###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'H2A_1_145nuc_400 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N TROSY' . . . 50438 1
2 '3D HNCA' . . . 50438 1
3 '3D HNCACB' . . . 50438 1
4 '3D HNCO' . . . 50438 1
5 '3D HN(CA)CO' . . . 50438 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 2 2 PRO C C 13 177.5330 0.0000 . 1 . . . . . -2 PRO C . 50438 1
2 . 1 . 1 2 2 PRO CA C 13 63.0040 0.0000 . 1 . . . . . -2 PRO CA . 50438 1
3 . 1 . 1 2 2 PRO CB C 13 31.4480 0.0000 . 1 . . . . . -2 PRO CB . 50438 1
4 . 1 . 1 3 3 GLY H H 1 8.5690 0.0000 . 1 . . . . . -1 GLY H . 50438 1
5 . 1 . 1 3 3 GLY C C 13 174.3320 0.0000 . 1 . . . . . -1 GLY C . 50438 1
6 . 1 . 1 3 3 GLY CA C 13 44.9260 0.0000 . 1 . . . . . -1 GLY CA . 50438 1
7 . 1 . 1 3 3 GLY N N 15 110.1700 0.0000 . 1 . . . . . -1 GLY N . 50438 1
8 . 1 . 1 4 4 MET H H 1 8.2770 0.0000 . 1 . . . . . 0 MET H . 50438 1
9 . 1 . 1 4 4 MET C C 13 176.6690 0.0000 . 1 . . . . . 0 MET C . 50438 1
10 . 1 . 1 4 4 MET CA C 13 55.2470 0.0000 . 1 . . . . . 0 MET CA . 50438 1
11 . 1 . 1 4 4 MET CB C 13 32.1260 0.0000 . 1 . . . . . 0 MET CB . 50438 1
12 . 1 . 1 4 4 MET N N 15 120.3550 0.0000 . 1 . . . . . 0 MET N . 50438 1
13 . 1 . 1 5 5 SER H H 1 8.3960 0.0000 . 1 . . . . . 1 SER H . 50438 1
14 . 1 . 1 5 5 SER C C 13 175.1570 0.0000 . 1 . . . . . 1 SER C . 50438 1
15 . 1 . 1 5 5 SER CA C 13 58.3890 0.0000 . 1 . . . . . 1 SER CA . 50438 1
16 . 1 . 1 5 5 SER CB C 13 63.4900 0.0000 . 1 . . . . . 1 SER CB . 50438 1
17 . 1 . 1 5 5 SER N N 15 117.4140 0.0000 . 1 . . . . . 1 SER N . 50438 1
18 . 1 . 1 6 6 GLY H H 1 8.4270 0.0000 . 1 . . . . . 2 GLY H . 50438 1
19 . 1 . 1 6 6 GLY C C 13 174.3320 0.0000 . 1 . . . . . 2 GLY C . 50438 1
20 . 1 . 1 6 6 GLY CA C 13 45.0420 0.0000 . 1 . . . . . 2 GLY CA . 50438 1
21 . 1 . 1 6 6 GLY N N 15 111.2230 0.0000 . 1 . . . . . 2 GLY N . 50438 1
22 . 1 . 1 7 7 ARG H H 1 8.1710 0.0000 . 1 . . . . . 3 ARG H . 50438 1
23 . 1 . 1 7 7 ARG C C 13 177.0750 0.0000 . 1 . . . . . 3 ARG C . 50438 1
24 . 1 . 1 7 7 ARG CA C 13 55.8850 0.0000 . 1 . . . . . 3 ARG CA . 50438 1
25 . 1 . 1 7 7 ARG CB C 13 29.8620 0.0000 . 1 . . . . . 3 ARG CB . 50438 1
26 . 1 . 1 7 7 ARG N N 15 120.7130 0.0000 . 1 . . . . . 3 ARG N . 50438 1
27 . 1 . 1 8 8 GLY H H 1 8.4420 0.0000 . 1 . . . . . 4 GLY H . 50438 1
28 . 1 . 1 8 8 GLY C C 13 174.2540 0.0000 . 1 . . . . . 4 GLY C . 50438 1
29 . 1 . 1 8 8 GLY CA C 13 44.6960 0.0000 . 1 . . . . . 4 GLY CA . 50438 1
30 . 1 . 1 8 8 GLY N N 15 110.2390 0.0000 . 1 . . . . . 4 GLY N . 50438 1
31 . 1 . 1 9 9 LYS H H 1 8.2240 0.0000 . 1 . . . . . 5 LYS H . 50438 1
32 . 1 . 1 9 9 LYS C C 13 177.0090 0.0000 . 1 . . . . . 5 LYS C . 50438 1
33 . 1 . 1 9 9 LYS CA C 13 56.0730 0.0000 . 1 . . . . . 5 LYS CA . 50438 1
34 . 1 . 1 9 9 LYS CB C 13 31.9000 0.0000 . 1 . . . . . 5 LYS CB . 50438 1
35 . 1 . 1 9 9 LYS N N 15 121.4660 0.0000 . 1 . . . . . 5 LYS N . 50438 1
36 . 1 . 1 10 10 GLN H H 1 8.5000 0.0000 . 1 . . . . . 6 GLN H . 50438 1
37 . 1 . 1 10 10 GLN C C 13 176.6230 0.0000 . 1 . . . . . 6 GLN C . 50438 1
38 . 1 . 1 10 10 GLN CA C 13 55.6570 0.0000 . 1 . . . . . 6 GLN CA . 50438 1
39 . 1 . 1 10 10 GLN CB C 13 28.3870 0.0000 . 1 . . . . . 6 GLN CB . 50438 1
40 . 1 . 1 10 10 GLN N N 15 121.8660 0.0000 . 1 . . . . . 6 GLN N . 50438 1
41 . 1 . 1 11 11 GLY H H 1 8.3980 0.0000 . 1 . . . . . 7 GLY H . 50438 1
42 . 1 . 1 11 11 GLY C C 13 174.6850 0.0000 . 1 . . . . . 7 GLY C . 50438 1
43 . 1 . 1 11 11 GLY CA C 13 44.9360 0.0000 . 1 . . . . . 7 GLY CA . 50438 1
44 . 1 . 1 11 11 GLY N N 15 110.5860 0.0000 . 1 . . . . . 7 GLY N . 50438 1
45 . 1 . 1 12 12 GLY H H 1 8.2460 0.0000 . 1 . . . . . 8 GLY H . 50438 1
46 . 1 . 1 12 12 GLY C C 13 173.9680 0.0000 . 1 . . . . . 8 GLY C . 50438 1
47 . 1 . 1 12 12 GLY CA C 13 44.8630 0.0000 . 1 . . . . . 8 GLY CA . 50438 1
48 . 1 . 1 12 12 GLY N N 15 109.3000 0.0000 . 1 . . . . . 8 GLY N . 50438 1
49 . 1 . 1 124 124 THR H H 1 8.3430 0.0000 . 1 . . . . . 120 THR H . 50438 1
50 . 1 . 1 124 124 THR C C 13 174.5480 0.0000 . 1 . . . . . 120 THR C . 50438 1
51 . 1 . 1 124 124 THR CA C 13 61.4110 0.0000 . 1 . . . . . 120 THR CA . 50438 1
52 . 1 . 1 124 124 THR CB C 13 69.5110 0.0000 . 1 . . . . . 120 THR CB . 50438 1
53 . 1 . 1 124 124 THR N N 15 117.3150 0.0000 . 1 . . . . . 120 THR N . 50438 1
54 . 1 . 1 125 125 GLU H H 1 8.5300 0.0000 . 1 . . . . . 121 GLU H . 50438 1
55 . 1 . 1 125 125 GLU C C 13 176.3610 0.0000 . 1 . . . . . 121 GLU C . 50438 1
56 . 1 . 1 125 125 GLU CA C 13 55.9500 0.0000 . 1 . . . . . 121 GLU CA . 50438 1
57 . 1 . 1 125 125 GLU CB C 13 29.4480 0.0000 . 1 . . . . . 121 GLU CB . 50438 1
58 . 1 . 1 125 125 GLU N N 15 124.1490 0.0000 . 1 . . . . . 121 GLU N . 50438 1
59 . 1 . 1 126 126 SER H H 1 8.3610 0.0000 . 1 . . . . . 122 SER H . 50438 1
60 . 1 . 1 126 126 SER C C 13 174.4670 0.0000 . 1 . . . . . 122 SER C . 50438 1
61 . 1 . 1 126 126 SER CA C 13 58.0330 0.0000 . 1 . . . . . 122 SER CA . 50438 1
62 . 1 . 1 126 126 SER CB C 13 63.4900 0.0000 . 1 . . . . . 122 SER CB . 50438 1
63 . 1 . 1 126 126 SER N N 15 117.6480 0.0000 . 1 . . . . . 122 SER N . 50438 1
64 . 1 . 1 127 127 HIS H H 1 8.5210 0.0000 . 1 . . . . . 123 HIS H . 50438 1
65 . 1 . 1 127 127 HIS C C 13 174.3780 0.0000 . 1 . . . . . 123 HIS C . 50438 1
66 . 1 . 1 127 127 HIS CA C 13 55.3790 0.0000 . 1 . . . . . 123 HIS CA . 50438 1
67 . 1 . 1 127 127 HIS N N 15 121.2000 0.0000 . 1 . . . . . 123 HIS N . 50438 1
68 . 1 . 1 128 128 HIS H H 1 8.4000 0.0000 . 1 . . . . . 124 HIS H . 50438 1
69 . 1 . 1 128 128 HIS C C 13 174.3390 0.0000 . 1 . . . . . 124 HIS C . 50438 1
70 . 1 . 1 128 128 HIS CA C 13 55.3330 0.0000 . 1 . . . . . 124 HIS CA . 50438 1
71 . 1 . 1 128 128 HIS N N 15 120.2360 0.0000 . 1 . . . . . 124 HIS N . 50438 1
72 . 1 . 1 129 129 LYS H H 1 8.2760 0.0000 . 1 . . . . . 125 LYS H . 50438 1
73 . 1 . 1 129 129 LYS C C 13 176.0730 0.0000 . 1 . . . . . 125 LYS C . 50438 1
74 . 1 . 1 129 129 LYS CA C 13 55.9170 0.0000 . 1 . . . . . 125 LYS CA . 50438 1
75 . 1 . 1 129 129 LYS CB C 13 32.1830 0.0000 . 1 . . . . . 125 LYS CB . 50438 1
76 . 1 . 1 129 129 LYS N N 15 123.5190 0.0000 . 1 . . . . . 125 LYS N . 50438 1
77 . 1 . 1 130 130 ALA H H 1 8.3070 0.0000 . 1 . . . . . 126 ALA H . 50438 1
78 . 1 . 1 130 130 ALA C C 13 177.6380 0.0000 . 1 . . . . . 126 ALA C . 50438 1
79 . 1 . 1 130 130 ALA CA C 13 52.0170 0.0000 . 1 . . . . . 126 ALA CA . 50438 1
80 . 1 . 1 130 130 ALA CB C 13 18.4430 0.0000 . 1 . . . . . 126 ALA CB . 50438 1
81 . 1 . 1 130 130 ALA N N 15 126.1950 0.0000 . 1 . . . . . 126 ALA N . 50438 1
82 . 1 . 1 131 131 LYS H H 1 8.3080 0.0000 . 1 . . . . . 127 LYS H . 50438 1
83 . 1 . 1 131 131 LYS C C 13 177.2450 0.0000 . 1 . . . . . 127 LYS C . 50438 1
84 . 1 . 1 131 131 LYS CA C 13 56.1730 0.0000 . 1 . . . . . 127 LYS CA . 50438 1
85 . 1 . 1 131 131 LYS CB C 13 31.9980 0.0000 . 1 . . . . . 127 LYS CB . 50438 1
86 . 1 . 1 131 131 LYS N N 15 121.4580 0.0000 . 1 . . . . . 127 LYS N . 50438 1
87 . 1 . 1 132 132 GLY H H 1 8.3820 0.0000 . 1 . . . . . 128 GLY H . 50438 1
88 . 1 . 1 132 132 GLY C C 13 173.1720 0.0000 . 1 . . . . . 128 GLY C . 50438 1
89 . 1 . 1 132 132 GLY CA C 13 44.8470 0.0000 . 1 . . . . . 128 GLY CA . 50438 1
90 . 1 . 1 132 132 GLY N N 15 111.2000 0.0000 . 1 . . . . . 128 GLY N . 50438 1
91 . 1 . 1 133 133 LYS H H 1 7.7910 0.0000 . 1 . . . . . 129 LYS H . 50438 1
92 . 1 . 1 133 133 LYS C C 13 181.6050 0.0000 . 1 . . . . . 129 LYS C . 50438 1
93 . 1 . 1 133 133 LYS CA C 13 57.0860 0.0000 . 1 . . . . . 129 LYS CA . 50438 1
94 . 1 . 1 133 133 LYS CB C 13 32.6260 0.0000 . 1 . . . . . 129 LYS CB . 50438 1
95 . 1 . 1 133 133 LYS N N 15 126.2890 0.0000 . 1 . . . . . 129 LYS N . 50438 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'H2A_1_145nuc_200 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 4
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_4
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
6 '2D 1H-15N TROSY' . . . 50438 2
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 GLY H H 1 8.5670 0.0000 . 1 . . . . . -1 GLY H . 50438 2
2 . 1 . 1 3 3 GLY N N 15 110.1200 0.0000 . 1 . . . . . -1 GLY N . 50438 2
3 . 1 . 1 4 4 MET H H 1 8.2670 0.0000 . 1 . . . . . 0 MET H . 50438 2
4 . 1 . 1 4 4 MET N N 15 120.4310 0.0000 . 1 . . . . . 0 MET N . 50438 2
5 . 1 . 1 5 5 SER H H 1 8.3800 0.0000 . 1 . . . . . 1 SER H . 50438 2
6 . 1 . 1 5 5 SER N N 15 117.4550 0.0000 . 1 . . . . . 1 SER N . 50438 2
7 . 1 . 1 6 6 GLY H H 1 8.4190 0.0000 . 1 . . . . . 2 GLY H . 50438 2
8 . 1 . 1 6 6 GLY N N 15 111.1730 0.0000 . 1 . . . . . 2 GLY N . 50438 2
9 . 1 . 1 7 7 ARG H H 1 8.1670 0.0000 . 1 . . . . . 3 ARG H . 50438 2
10 . 1 . 1 7 7 ARG N N 15 120.7460 0.0000 . 1 . . . . . 3 ARG N . 50438 2
11 . 1 . 1 8 8 GLY H H 1 8.4320 0.0000 . 1 . . . . . 4 GLY H . 50438 2
12 . 1 . 1 8 8 GLY N N 15 110.1450 0.0000 . 1 . . . . . 4 GLY N . 50438 2
13 . 1 . 1 9 9 LYS H H 1 8.2140 0.0000 . 1 . . . . . 5 LYS H . 50438 2
14 . 1 . 1 9 9 LYS N N 15 121.4520 0.0000 . 1 . . . . . 5 LYS N . 50438 2
15 . 1 . 1 10 10 GLN H H 1 8.4960 0.0000 . 1 . . . . . 6 GLN H . 50438 2
16 . 1 . 1 10 10 GLN N N 15 121.8840 0.0000 . 1 . . . . . 6 GLN N . 50438 2
17 . 1 . 1 11 11 GLY H H 1 8.3880 0.0000 . 1 . . . . . 7 GLY H . 50438 2
18 . 1 . 1 11 11 GLY N N 15 110.6030 0.0000 . 1 . . . . . 7 GLY N . 50438 2
19 . 1 . 1 12 12 GLY H H 1 8.2440 0.0000 . 1 . . . . . 8 GLY H . 50438 2
20 . 1 . 1 12 12 GLY N N 15 109.2700 0.0000 . 1 . . . . . 8 GLY N . 50438 2
21 . 1 . 1 124 124 THR H H 1 8.3320 0.0000 . 1 . . . . . 120 THR H . 50438 2
22 . 1 . 1 124 124 THR N N 15 117.2100 0.0000 . 1 . . . . . 120 THR N . 50438 2
23 . 1 . 1 125 125 GLU H H 1 8.5110 0.0000 . 1 . . . . . 121 GLU H . 50438 2
24 . 1 . 1 125 125 GLU N N 15 124.0360 0.0000 . 1 . . . . . 121 GLU N . 50438 2
25 . 1 . 1 126 126 SER H H 1 8.3450 0.0000 . 1 . . . . . 122 SER H . 50438 2
26 . 1 . 1 126 126 SER N N 15 117.6300 0.0000 . 1 . . . . . 122 SER N . 50438 2
27 . 1 . 1 127 127 HIS H H 1 8.5310 0.0000 . 1 . . . . . 123 HIS H . 50438 2
28 . 1 . 1 127 127 HIS N N 15 121.0560 0.0000 . 1 . . . . . 123 HIS N . 50438 2
29 . 1 . 1 128 128 HIS H H 1 8.4080 0.0000 . 1 . . . . . 124 HIS H . 50438 2
30 . 1 . 1 128 128 HIS N N 15 120.1250 0.0000 . 1 . . . . . 124 HIS N . 50438 2
31 . 1 . 1 129 129 LYS H H 1 8.2790 0.0000 . 1 . . . . . 125 LYS H . 50438 2
32 . 1 . 1 129 129 LYS N N 15 123.5130 0.0000 . 1 . . . . . 125 LYS N . 50438 2
33 . 1 . 1 130 130 ALA H H 1 8.3090 0.0000 . 1 . . . . . 126 ALA H . 50438 2
34 . 1 . 1 130 130 ALA N N 15 126.2050 0.0000 . 1 . . . . . 126 ALA N . 50438 2
35 . 1 . 1 131 131 LYS H H 1 8.3120 0.0000 . 1 . . . . . 127 LYS H . 50438 2
36 . 1 . 1 131 131 LYS N N 15 121.4570 0.0000 . 1 . . . . . 127 LYS N . 50438 2
37 . 1 . 1 132 132 GLY H H 1 8.3760 0.0000 . 1 . . . . . 128 GLY H . 50438 2
38 . 1 . 1 132 132 GLY N N 15 111.2090 0.0000 . 1 . . . . . 128 GLY N . 50438 2
39 . 1 . 1 133 133 LYS H H 1 7.7770 0.0000 . 1 . . . . . 129 LYS H . 50438 2
40 . 1 . 1 133 133 LYS N N 15 126.2580 0.0000 . 1 . . . . . 129 LYS N . 50438 2
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Name 'H2A_2_145nuc_200 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 4
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_4
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
6 '2D 1H-15N TROSY' . . . 50438 3
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 3
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 6 6 GLY H H 1 8.4400 0.0000 . 1 . . . . . 2 GLY H . 50438 3
2 . 1 . 1 6 6 GLY N N 15 111.2380 0.0000 . 1 . . . . . 2 GLY N . 50438 3
3 . 1 . 1 8 8 GLY H H 1 8.4520 0.0000 . 1 . . . . . 4 GLY H . 50438 3
4 . 1 . 1 8 8 GLY N N 15 110.2820 0.0000 . 1 . . . . . 4 GLY N . 50438 3
5 . 1 . 1 10 10 GLN H H 1 8.5000 0.0000 . 1 . . . . . 6 GLN H . 50438 3
6 . 1 . 1 10 10 GLN N N 15 121.9450 0.0000 . 1 . . . . . 6 GLN N . 50438 3
7 . 1 . 1 11 11 GLY H H 1 8.4170 0.0000 . 1 . . . . . 7 GLY H . 50438 3
8 . 1 . 1 11 11 GLY N N 15 110.6570 0.0000 . 1 . . . . . 7 GLY N . 50438 3
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_4
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 4
_Assigned_chem_shift_list.Name 'H2B_145nuc_200 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 4
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_4
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
6 '2D 1H-15N TROSY' . . . 50438 4
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 4
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 3 3 GLY H H 1 8.5440 0.0000 . 1 . . . . . -1 GLY H . 50438 4
2 . 2 . 2 3 3 GLY N N 15 110.3620 0.0000 . 1 . . . . . -1 GLY N . 50438 4
3 . 2 . 2 4 4 MET H H 1 8.1040 0.0000 . 1 . . . . . 0 MET H . 50438 4
4 . 2 . 2 4 4 MET N N 15 121.4790 0.0000 . 1 . . . . . 0 MET N . 50438 4
5 . 2 . 2 6 6 GLU H H 1 8.4340 0.0000 . 1 . . . . . 2 GLU H . 50438 4
6 . 2 . 2 6 6 GLU N N 15 123.0550 0.0000 . 1 . . . . . 2 GLU N . 50438 4
7 . 2 . 2 8 8 ALA H H 1 8.3590 0.0000 . 1 . . . . . 4 ALA H . 50438 4
8 . 2 . 2 8 8 ALA N N 15 124.4830 0.0000 . 1 . . . . . 4 ALA N . 50438 4
9 . 2 . 2 9 9 LYS H H 1 8.2760 0.0000 . 1 . . . . . 5 LYS H . 50438 4
10 . 2 . 2 9 9 LYS N N 15 121.2310 0.0000 . 1 . . . . . 5 LYS N . 50438 4
11 . 2 . 2 10 10 SER H H 1 8.2210 0.0000 . 1 . . . . . 6 SER H . 50438 4
12 . 2 . 2 10 10 SER N N 15 117.5060 0.0000 . 1 . . . . . 6 SER N . 50438 4
13 . 2 . 2 11 11 ALA H H 1 8.2700 0.0000 . 1 . . . . . 7 ALA H . 50438 4
14 . 2 . 2 11 11 ALA N N 15 127.4810 0.0000 . 1 . . . . . 7 ALA N . 50438 4
15 . 2 . 2 13 13 ALA H H 1 8.3630 0.0000 . 1 . . . . . 9 ALA H . 50438 4
16 . 2 . 2 13 13 ALA N N 15 126.2110 0.0000 . 1 . . . . . 9 ALA N . 50438 4
17 . 2 . 2 15 15 LYS H H 1 8.3950 0.0000 . 1 . . . . . 11 LYS H . 50438 4
18 . 2 . 2 15 15 LYS N N 15 122.4710 0.0000 . 1 . . . . . 11 LYS N . 50438 4
19 . 2 . 2 16 16 LYS H H 1 8.4120 0.0000 . 1 . . . . . 12 LYS H . 50438 4
20 . 2 . 2 16 16 LYS N N 15 123.7850 0.0000 . 1 . . . . . 12 LYS N . 50438 4
21 . 2 . 2 17 17 GLY H H 1 8.4740 0.0000 . 1 . . . . . 13 GLY H . 50438 4
22 . 2 . 2 17 17 GLY N N 15 111.1220 0.0000 . 1 . . . . . 13 GLY N . 50438 4
23 . 2 . 2 18 18 SER H H 1 8.1670 0.0000 . 1 . . . . . 14 SER H . 50438 4
24 . 2 . 2 18 18 SER N N 15 116.1260 0.0000 . 1 . . . . . 14 SER N . 50438 4
25 . 2 . 2 19 19 LYS H H 1 8.4260 0.0000 . 1 . . . . . 15 LYS H . 50438 4
26 . 2 . 2 19 19 LYS N N 15 123.9690 0.0000 . 1 . . . . . 15 LYS N . 50438 4
27 . 2 . 2 20 20 LYS H H 1 8.2770 0.0000 . 1 . . . . . 16 LYS H . 50438 4
28 . 2 . 2 20 20 LYS N N 15 123.2830 0.0000 . 1 . . . . . 16 LYS N . 50438 4
29 . 2 . 2 21 21 ALA H H 1 8.3010 0.0000 . 1 . . . . . 17 ALA H . 50438 4
30 . 2 . 2 21 21 ALA N N 15 126.1390 0.0000 . 1 . . . . . 17 ALA N . 50438 4
31 . 2 . 2 22 22 VAL H H 1 8.1520 0.0000 . 1 . . . . . 18 VAL H . 50438 4
32 . 2 . 2 22 22 VAL N N 15 120.4640 0.0000 . 1 . . . . . 18 VAL N . 50438 4
33 . 2 . 2 23 23 THR H H 1 8.2040 0.0000 . 1 . . . . . 19 THR H . 50438 4
34 . 2 . 2 23 23 THR N N 15 119.0190 0.0000 . 1 . . . . . 19 THR N . 50438 4
35 . 2 . 2 24 24 LYS H H 1 8.3540 0.0000 . 1 . . . . . 20 LYS H . 50438 4
36 . 2 . 2 24 24 LYS N N 15 124.5250 0.0000 . 1 . . . . . 20 LYS N . 50438 4
37 . 2 . 2 25 25 ALA H H 1 8.2860 0.0000 . 1 . . . . . 21 ALA H . 50438 4
38 . 2 . 2 25 25 ALA N N 15 125.4210 0.0000 . 1 . . . . . 21 ALA N . 50438 4
39 . 2 . 2 26 26 GLN H H 1 8.2740 0.0000 . 1 . . . . . 22 GLN H . 50438 4
40 . 2 . 2 26 26 GLN N N 15 120.2170 0.0000 . 1 . . . . . 22 GLN N . 50438 4
41 . 2 . 2 27 27 LYS H H 1 8.3320 0.0000 . 1 . . . . . 23 LYS H . 50438 4
42 . 2 . 2 27 27 LYS N N 15 123.5580 0.0000 . 1 . . . . . 23 LYS N . 50438 4
43 . 2 . 2 28 28 LYS H H 1 8.4490 0.0000 . 1 . . . . . 24 LYS H . 50438 4
44 . 2 . 2 28 28 LYS N N 15 123.4910 0.0000 . 1 . . . . . 24 LYS N . 50438 4
45 . 2 . 2 29 29 ASP H H 1 8.2830 0.0000 . 1 . . . . . 25 ASP H . 50438 4
46 . 2 . 2 29 29 ASP N N 15 121.4400 0.0000 . 1 . . . . . 25 ASP N . 50438 4
47 . 2 . 2 30 30 GLY H H 1 8.2340 0.0000 . 1 . . . . . 26 GLY H . 50438 4
48 . 2 . 2 30 30 GLY N N 15 109.4660 0.0000 . 1 . . . . . 26 GLY N . 50438 4
49 . 2 . 2 31 31 LYS H H 1 8.1270 0.0000 . 1 . . . . . 27 LYS H . 50438 4
50 . 2 . 2 31 31 LYS N N 15 121.5810 0.0000 . 1 . . . . . 27 LYS N . 50438 4
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_5
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_5
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 5
_Assigned_chem_shift_list.Name 'H2A_1_145nuc_100 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
7 '2D 1H-15N TROSY' . . . 50438 5
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 5
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 GLY H H 1 8.5730 0.0000 . 1 . . . . . -1 GLY H . 50438 5
2 . 1 . 1 3 3 GLY N N 15 110.1170 0.0000 . 1 . . . . . -1 GLY N . 50438 5
3 . 1 . 1 4 4 MET H H 1 8.2660 0.0000 . 1 . . . . . 0 MET H . 50438 5
4 . 1 . 1 4 4 MET N N 15 120.4130 0.0000 . 1 . . . . . 0 MET N . 50438 5
5 . 1 . 1 5 5 SER H H 1 8.3690 0.0000 . 1 . . . . . 1 SER H . 50438 5
6 . 1 . 1 5 5 SER N N 15 117.4040 0.0000 . 1 . . . . . 1 SER N . 50438 5
7 . 1 . 1 6 6 GLY H H 1 8.4240 0.0000 . 1 . . . . . 2 GLY H . 50438 5
8 . 1 . 1 6 6 GLY N N 15 111.1410 0.0000 . 1 . . . . . 2 GLY N . 50438 5
9 . 1 . 1 7 7 ARG H H 1 8.1380 0.0000 . 1 . . . . . 3 ARG H . 50438 5
10 . 1 . 1 7 7 ARG N N 15 120.6320 0.0000 . 1 . . . . . 3 ARG N . 50438 5
11 . 1 . 1 8 8 GLY H H 1 8.4350 0.0000 . 1 . . . . . 4 GLY H . 50438 5
12 . 1 . 1 8 8 GLY N N 15 110.1250 0.0000 . 1 . . . . . 4 GLY N . 50438 5
13 . 1 . 1 9 9 LYS H H 1 8.2040 0.0000 . 1 . . . . . 5 LYS H . 50438 5
14 . 1 . 1 9 9 LYS N N 15 121.4880 0.0000 . 1 . . . . . 5 LYS N . 50438 5
15 . 1 . 1 10 10 GLN H H 1 8.4980 0.0000 . 1 . . . . . 6 GLN H . 50438 5
16 . 1 . 1 10 10 GLN N N 15 121.9010 0.0000 . 1 . . . . . 6 GLN N . 50438 5
17 . 1 . 1 11 11 GLY H H 1 8.3890 0.0000 . 1 . . . . . 7 GLY H . 50438 5
18 . 1 . 1 11 11 GLY N N 15 110.6010 0.0000 . 1 . . . . . 7 GLY N . 50438 5
19 . 1 . 1 12 12 GLY H H 1 8.2530 0.0000 . 1 . . . . . 8 GLY H . 50438 5
20 . 1 . 1 12 12 GLY N N 15 109.2160 0.0000 . 1 . . . . . 8 GLY N . 50438 5
21 . 1 . 1 124 124 THR H H 1 8.2760 0.0000 . 1 . . . . . 120 THR H . 50438 5
22 . 1 . 1 124 124 THR N N 15 116.9080 0.0000 . 1 . . . . . 120 THR N . 50438 5
23 . 1 . 1 125 125 GLU H H 1 8.4970 0.0000 . 1 . . . . . 121 GLU H . 50438 5
24 . 1 . 1 125 125 GLU N N 15 123.9430 0.0000 . 1 . . . . . 121 GLU N . 50438 5
25 . 1 . 1 126 126 SER H H 1 8.3350 0.0000 . 1 . . . . . 122 SER H . 50438 5
26 . 1 . 1 126 126 SER N N 15 117.5330 0.0000 . 1 . . . . . 122 SER N . 50438 5
27 . 1 . 1 127 127 HIS H H 1 8.5360 0.0000 . 1 . . . . . 123 HIS H . 50438 5
28 . 1 . 1 127 127 HIS N N 15 120.9320 0.0000 . 1 . . . . . 123 HIS N . 50438 5
29 . 1 . 1 128 128 HIS H H 1 8.4140 0.0000 . 1 . . . . . 124 HIS H . 50438 5
30 . 1 . 1 128 128 HIS N N 15 119.8900 0.0000 . 1 . . . . . 124 HIS N . 50438 5
31 . 1 . 1 129 129 LYS H H 1 8.3100 0.0000 . 1 . . . . . 125 LYS H . 50438 5
32 . 1 . 1 129 129 LYS N N 15 123.6420 0.0000 . 1 . . . . . 125 LYS N . 50438 5
33 . 1 . 1 130 130 ALA H H 1 8.3180 0.0000 . 1 . . . . . 126 ALA H . 50438 5
34 . 1 . 1 130 130 ALA N N 15 126.1630 0.0000 . 1 . . . . . 126 ALA N . 50438 5
35 . 1 . 1 131 131 LYS H H 1 8.3250 0.0000 . 1 . . . . . 127 LYS H . 50438 5
36 . 1 . 1 131 131 LYS N N 15 121.4800 0.0000 . 1 . . . . . 127 LYS N . 50438 5
37 . 1 . 1 132 132 GLY H H 1 8.3780 0.0000 . 1 . . . . . 128 GLY H . 50438 5
38 . 1 . 1 132 132 GLY N N 15 111.1890 0.0000 . 1 . . . . . 128 GLY N . 50438 5
39 . 1 . 1 133 133 LYS H H 1 7.7690 0.0000 . 1 . . . . . 129 LYS H . 50438 5
40 . 1 . 1 133 133 LYS N N 15 126.2460 0.0000 . 1 . . . . . 129 LYS N . 50438 5
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_6
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_6
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 6
_Assigned_chem_shift_list.Name 'H2A_2_145nuc_100 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
7 '2D 1H-15N TROSY' . . . 50438 6
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 6
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 6 6 GLY H H 1 8.4490 0.0000 . 1 . . . . . 2 GLY H . 50438 6
2 . 1 . 1 6 6 GLY N N 15 111.2150 0.0000 . 1 . . . . . 2 GLY N . 50438 6
3 . 1 . 1 7 7 ARG H H 1 8.1570 0.0000 . 1 . . . . . 3 ARG H . 50438 6
4 . 1 . 1 7 7 ARG N N 15 120.7040 0.0000 . 1 . . . . . 3 ARG N . 50438 6
5 . 1 . 1 8 8 GLY H H 1 8.4590 0.0000 . 1 . . . . . 4 GLY H . 50438 6
6 . 1 . 1 8 8 GLY N N 15 110.2510 0.0000 . 1 . . . . . 4 GLY N . 50438 6
7 . 1 . 1 9 9 LYS H H 1 8.2140 0.0000 . 1 . . . . . 5 LYS H . 50438 6
8 . 1 . 1 9 9 LYS N N 15 121.3720 0.0000 . 1 . . . . . 5 LYS N . 50438 6
9 . 1 . 1 10 10 GLN H H 1 8.5050 0.0000 . 1 . . . . . 6 GLN H . 50438 6
10 . 1 . 1 10 10 GLN N N 15 121.9860 0.0000 . 1 . . . . . 6 GLN N . 50438 6
11 . 1 . 1 11 11 GLY H H 1 8.4180 0.0000 . 1 . . . . . 7 GLY H . 50438 6
12 . 1 . 1 11 11 GLY N N 15 110.5950 0.0000 . 1 . . . . . 7 GLY N . 50438 6
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_7
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_7
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 7
_Assigned_chem_shift_list.Name 'H2B_1_145nuc_100 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
7 '2D 1H-15N TROSY' . . . 50438 7
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 7
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 3 3 GLY H H 1 8.5430 0.0000 . 1 . . . . . -1 GLY H . 50438 7
2 . 2 . 2 3 3 GLY N N 15 110.3390 0.0000 . 1 . . . . . -1 GLY N . 50438 7
3 . 2 . 2 4 4 MET H H 1 8.0950 0.0000 . 1 . . . . . 0 MET H . 50438 7
4 . 2 . 2 4 4 MET N N 15 121.4650 0.0000 . 1 . . . . . 0 MET N . 50438 7
5 . 2 . 2 6 6 GLU H H 1 8.4250 0.0000 . 1 . . . . . 2 GLU H . 50438 7
6 . 2 . 2 6 6 GLU N N 15 123.0780 0.0000 . 1 . . . . . 2 GLU N . 50438 7
7 . 2 . 2 8 8 ALA H H 1 8.3490 0.0000 . 1 . . . . . 4 ALA H . 50438 7
8 . 2 . 2 8 8 ALA N N 15 124.4870 0.0000 . 1 . . . . . 4 ALA N . 50438 7
9 . 2 . 2 9 9 LYS H H 1 8.2690 0.0000 . 1 . . . . . 5 LYS H . 50438 7
10 . 2 . 2 9 9 LYS N N 15 121.2480 0.0000 . 1 . . . . . 5 LYS N . 50438 7
11 . 2 . 2 10 10 SER H H 1 8.2270 0.0000 . 1 . . . . . 6 SER H . 50438 7
12 . 2 . 2 10 10 SER N N 15 117.6010 0.0000 . 1 . . . . . 6 SER N . 50438 7
13 . 2 . 2 11 11 ALA H H 1 8.2690 0.0000 . 1 . . . . . 7 ALA H . 50438 7
14 . 2 . 2 11 11 ALA N N 15 127.4740 0.0000 . 1 . . . . . 7 ALA N . 50438 7
15 . 2 . 2 13 13 ALA H H 1 8.3630 0.0000 . 1 . . . . . 9 ALA H . 50438 7
16 . 2 . 2 13 13 ALA N N 15 126.1670 0.0000 . 1 . . . . . 9 ALA N . 50438 7
17 . 2 . 2 15 15 LYS H H 1 8.3950 0.0000 . 1 . . . . . 11 LYS H . 50438 7
18 . 2 . 2 15 15 LYS N N 15 122.5260 0.0000 . 1 . . . . . 11 LYS N . 50438 7
19 . 2 . 2 16 16 LYS H H 1 8.4230 0.0000 . 1 . . . . . 12 LYS H . 50438 7
20 . 2 . 2 16 16 LYS N N 15 123.7010 0.0000 . 1 . . . . . 12 LYS N . 50438 7
21 . 2 . 2 17 17 GLY H H 1 8.4830 0.0000 . 1 . . . . . 13 GLY H . 50438 7
22 . 2 . 2 17 17 GLY N N 15 111.0920 0.0000 . 1 . . . . . 13 GLY N . 50438 7
23 . 2 . 2 18 18 SER H H 1 8.1690 0.0000 . 1 . . . . . 14 SER H . 50438 7
24 . 2 . 2 18 18 SER N N 15 116.1190 0.0000 . 1 . . . . . 14 SER N . 50438 7
25 . 2 . 2 19 19 LYS H H 1 8.4490 0.0000 . 1 . . . . . 15 LYS H . 50438 7
26 . 2 . 2 19 19 LYS N N 15 123.9450 0.0000 . 1 . . . . . 15 LYS N . 50438 7
27 . 2 . 2 20 20 LYS H H 1 8.2840 0.0000 . 1 . . . . . 16 LYS H . 50438 7
28 . 2 . 2 20 20 LYS N N 15 123.1250 0.0000 . 1 . . . . . 16 LYS N . 50438 7
29 . 2 . 2 21 21 ALA H H 1 8.2980 0.0000 . 1 . . . . . 17 ALA H . 50438 7
30 . 2 . 2 21 21 ALA N N 15 126.0420 0.0000 . 1 . . . . . 17 ALA N . 50438 7
31 . 2 . 2 22 22 VAL H H 1 8.1430 0.0000 . 1 . . . . . 18 VAL H . 50438 7
32 . 2 . 2 22 22 VAL N N 15 120.3150 0.0000 . 1 . . . . . 18 VAL N . 50438 7
33 . 2 . 2 23 23 THR H H 1 8.2030 0.0000 . 1 . . . . . 19 THR H . 50438 7
34 . 2 . 2 23 23 THR N N 15 119.0140 0.0000 . 1 . . . . . 19 THR N . 50438 7
35 . 2 . 2 24 24 LYS H H 1 8.3640 0.0000 . 1 . . . . . 20 LYS H . 50438 7
36 . 2 . 2 24 24 LYS N N 15 124.6360 0.0000 . 1 . . . . . 20 LYS N . 50438 7
37 . 2 . 2 25 25 ALA H H 1 8.2920 0.0000 . 1 . . . . . 21 ALA H . 50438 7
38 . 2 . 2 25 25 ALA N N 15 125.4200 0.0000 . 1 . . . . . 21 ALA N . 50438 7
39 . 2 . 2 26 26 GLN H H 1 8.2760 0.0000 . 1 . . . . . 22 GLN H . 50438 7
40 . 2 . 2 26 26 GLN N N 15 120.1930 0.0000 . 1 . . . . . 22 GLN N . 50438 7
41 . 2 . 2 27 27 LYS H H 1 8.3320 0.0000 . 1 . . . . . 23 LYS H . 50438 7
42 . 2 . 2 27 27 LYS N N 15 123.5740 0.0000 . 1 . . . . . 23 LYS N . 50438 7
43 . 2 . 2 28 28 LYS H H 1 8.4570 0.0000 . 1 . . . . . 24 LYS H . 50438 7
44 . 2 . 2 28 28 LYS N N 15 123.5010 0.0000 . 1 . . . . . 24 LYS N . 50438 7
45 . 2 . 2 29 29 ASP H H 1 8.2810 0.0000 . 1 . . . . . 25 ASP H . 50438 7
46 . 2 . 2 29 29 ASP N N 15 121.3660 0.0000 . 1 . . . . . 25 ASP N . 50438 7
47 . 2 . 2 30 30 GLY H H 1 8.2330 0.0000 . 1 . . . . . 26 GLY H . 50438 7
48 . 2 . 2 30 30 GLY N N 15 109.4200 0.0000 . 1 . . . . . 26 GLY N . 50438 7
49 . 2 . 2 31 31 LYS H H 1 8.0800 0.0000 . 1 . . . . . 27 LYS H . 50438 7
50 . 2 . 2 31 31 LYS N N 15 121.4490 0.0000 . 1 . . . . . 27 LYS N . 50438 7
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_8
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_8
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 8
_Assigned_chem_shift_list.Name 'H2B_2_145nuc_100 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
7 '2D 1H-15N TROSY' . . . 50438 8
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 8
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 10 10 SER H H 1 8.2390 0.0000 . 1 . . . . . 6 SER H . 50438 8
2 . 2 . 2 10 10 SER N N 15 117.6670 0.0000 . 1 . . . . . 6 SER N . 50438 8
3 . 2 . 2 22 22 VAL H H 1 8.1530 0.0000 . 1 . . . . . 18 VAL H . 50438 8
4 . 2 . 2 22 22 VAL N N 15 120.4470 0.0000 . 1 . . . . . 18 VAL N . 50438 8
5 . 2 . 2 23 23 THR H H 1 8.2080 0.0000 . 1 . . . . . 19 THR H . 50438 8
6 . 2 . 2 23 23 THR N N 15 119.1010 0.0000 . 1 . . . . . 19 THR N . 50438 8
7 . 2 . 2 25 25 ALA H H 1 8.2840 0.0000 . 1 . . . . . 21 ALA H . 50438 8
8 . 2 . 2 25 25 ALA N N 15 125.3130 0.0000 . 1 . . . . . 21 ALA N . 50438 8
9 . 2 . 2 26 26 GLN H H 1 8.2810 0.0000 . 1 . . . . . 22 GLN H . 50438 8
10 . 2 . 2 26 26 GLN N N 15 120.2590 0.0000 . 1 . . . . . 22 GLN N . 50438 8
11 . 2 . 2 27 27 LYS H H 1 8.3460 0.0000 . 1 . . . . . 23 LYS H . 50438 8
12 . 2 . 2 27 27 LYS N N 15 123.6630 0.0000 . 1 . . . . . 23 LYS N . 50438 8
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_9
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_9
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 9
_Assigned_chem_shift_list.Name 'H2A_1_145nuc_25 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
8 '2D 1H-15N TROSY' . . . 50438 9
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 9
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 GLY H H 1 8.5800 0.0000 . 1 . . . . . -1 GLY H . 50438 9
2 . 1 . 1 3 3 GLY N N 15 110.1190 0.0000 . 1 . . . . . -1 GLY N . 50438 9
3 . 1 . 1 4 4 MET H H 1 8.2670 0.0000 . 1 . . . . . 0 MET H . 50438 9
4 . 1 . 1 4 4 MET N N 15 120.3920 0.0000 . 1 . . . . . 0 MET N . 50438 9
5 . 1 . 1 5 5 SER H H 1 8.3590 0.0000 . 1 . . . . . 1 SER H . 50438 9
6 . 1 . 1 5 5 SER N N 15 117.3690 0.0000 . 1 . . . . . 1 SER N . 50438 9
7 . 1 . 1 6 6 GLY H H 1 8.4320 0.0000 . 1 . . . . . 2 GLY H . 50438 9
8 . 1 . 1 6 6 GLY N N 15 111.1650 0.0000 . 1 . . . . . 2 GLY N . 50438 9
9 . 1 . 1 7 7 ARG H H 1 8.1200 0.0000 . 1 . . . . . 3 ARG H . 50438 9
10 . 1 . 1 7 7 ARG N N 15 120.6410 0.0000 . 1 . . . . . 3 ARG N . 50438 9
11 . 1 . 1 8 8 GLY H H 1 8.4450 0.0000 . 1 . . . . . 4 GLY H . 50438 9
12 . 1 . 1 8 8 GLY N N 15 110.1200 0.0000 . 1 . . . . . 4 GLY N . 50438 9
13 . 1 . 1 9 9 LYS H H 1 8.1790 0.0000 . 1 . . . . . 5 LYS H . 50438 9
14 . 1 . 1 9 9 LYS N N 15 121.3740 0.0000 . 1 . . . . . 5 LYS N . 50438 9
15 . 1 . 1 10 10 GLN H H 1 8.4970 0.0000 . 1 . . . . . 6 GLN H . 50438 9
16 . 1 . 1 10 10 GLN N N 15 121.8730 0.0000 . 1 . . . . . 6 GLN N . 50438 9
17 . 1 . 1 11 11 GLY H H 1 8.3880 0.0000 . 1 . . . . . 7 GLY H . 50438 9
18 . 1 . 1 11 11 GLY N N 15 110.4780 0.0000 . 1 . . . . . 7 GLY N . 50438 9
19 . 1 . 1 12 12 GLY H H 1 8.2660 0.0000 . 1 . . . . . 8 GLY H . 50438 9
20 . 1 . 1 12 12 GLY N N 15 109.2570 0.0000 . 1 . . . . . 8 GLY N . 50438 9
21 . 1 . 1 124 124 THR H H 1 8.2050 0.0000 . 1 . . . . . 120 THR H . 50438 9
22 . 1 . 1 124 124 THR N N 15 116.3110 0.0000 . 1 . . . . . 120 THR N . 50438 9
23 . 1 . 1 125 125 GLU H H 1 8.4710 0.0000 . 1 . . . . . 121 GLU H . 50438 9
24 . 1 . 1 125 125 GLU N N 15 123.8690 0.0000 . 1 . . . . . 121 GLU N . 50438 9
25 . 1 . 1 126 126 SER H H 1 8.3240 0.0000 . 1 . . . . . 122 SER H . 50438 9
26 . 1 . 1 126 126 SER N N 15 117.5050 0.0000 . 1 . . . . . 122 SER N . 50438 9
27 . 1 . 1 127 127 HIS H H 1 8.5560 0.0000 . 1 . . . . . 123 HIS H . 50438 9
28 . 1 . 1 127 127 HIS N N 15 120.8280 0.0000 . 1 . . . . . 123 HIS N . 50438 9
29 . 1 . 1 128 128 HIS H H 1 8.4370 0.0000 . 1 . . . . . 124 HIS H . 50438 9
30 . 1 . 1 128 128 HIS N N 15 119.9430 0.0000 . 1 . . . . . 124 HIS N . 50438 9
31 . 1 . 1 129 129 LYS H H 1 8.3720 0.0000 . 1 . . . . . 125 LYS H . 50438 9
32 . 1 . 1 129 129 LYS N N 15 123.7510 0.0000 . 1 . . . . . 125 LYS N . 50438 9
33 . 1 . 1 130 130 ALA H H 1 8.3480 0.0000 . 1 . . . . . 126 ALA H . 50438 9
34 . 1 . 1 130 130 ALA N N 15 126.3220 0.0000 . 1 . . . . . 126 ALA N . 50438 9
35 . 1 . 1 131 131 LYS H H 1 8.3470 0.0000 . 1 . . . . . 127 LYS H . 50438 9
36 . 1 . 1 131 131 LYS N N 15 121.5800 0.0000 . 1 . . . . . 127 LYS N . 50438 9
37 . 1 . 1 132 132 GLY H H 1 8.3830 0.0000 . 1 . . . . . 128 GLY H . 50438 9
38 . 1 . 1 132 132 GLY N N 15 111.1430 0.0000 . 1 . . . . . 128 GLY N . 50438 9
39 . 1 . 1 133 133 LYS H H 1 7.7650 0.0000 . 1 . . . . . 129 LYS H . 50438 9
40 . 1 . 1 133 133 LYS N N 15 126.2240 0.0000 . 1 . . . . . 129 LYS N . 50438 9
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_10
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_10
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 10
_Assigned_chem_shift_list.Name 'H2A_2_145nuc_25 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
8 '2D 1H-15N TROSY' . . . 50438 10
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 10
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 6 6 GLY H H 1 8.4650 0.0000 . 1 . . . . . 2 GLY H . 50438 10
2 . 1 . 1 6 6 GLY N N 15 111.2100 0.0000 . 1 . . . . . 2 GLY N . 50438 10
3 . 1 . 1 7 7 ARG H H 1 8.1460 0.0000 . 1 . . . . . 3 ARG H . 50438 10
4 . 1 . 1 7 7 ARG N N 15 120.7060 0.0000 . 1 . . . . . 3 ARG N . 50438 10
5 . 1 . 1 8 8 GLY H H 1 8.4800 0.0000 . 1 . . . . . 4 GLY H . 50438 10
6 . 1 . 1 8 8 GLY N N 15 110.3700 0.0000 . 1 . . . . . 4 GLY N . 50438 10
7 . 1 . 1 9 9 LYS H H 1 8.2100 0.0000 . 1 . . . . . 5 LYS H . 50438 10
8 . 1 . 1 9 9 LYS N N 15 121.3410 0.0000 . 1 . . . . . 5 LYS N . 50438 10
9 . 1 . 1 10 10 GLN H H 1 8.5120 0.0000 . 1 . . . . . 6 GLN H . 50438 10
10 . 1 . 1 10 10 GLN N N 15 122.0840 0.0000 . 1 . . . . . 6 GLN N . 50438 10
11 . 1 . 1 11 11 GLY H H 1 8.4250 0.0000 . 1 . . . . . 7 GLY H . 50438 10
12 . 1 . 1 11 11 GLY N N 15 110.5350 0.0000 . 1 . . . . . 7 GLY N . 50438 10
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_11
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_11
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 11
_Assigned_chem_shift_list.Name 'H2B_1_145nuc_25 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
8 '2D 1H-15N TROSY' . . . 50438 11
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 11
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 3 3 GLY H H 1 8.5480 0.0000 . 1 . . . . . -1 GLY H . 50438 11
2 . 2 . 2 3 3 GLY N N 15 110.3760 0.0000 . 1 . . . . . -1 GLY N . 50438 11
3 . 2 . 2 4 4 MET H H 1 8.0780 0.0000 . 1 . . . . . 0 MET H . 50438 11
4 . 2 . 2 4 4 MET N N 15 121.4330 0.0000 . 1 . . . . . 0 MET N . 50438 11
5 . 2 . 2 6 6 GLU H H 1 8.4100 0.0000 . 1 . . . . . 2 GLU H . 50438 11
6 . 2 . 2 6 6 GLU N N 15 122.9670 0.0000 . 1 . . . . . 2 GLU N . 50438 11
7 . 2 . 2 8 8 ALA H H 1 8.3390 0.0000 . 1 . . . . . 4 ALA H . 50438 11
8 . 2 . 2 8 8 ALA N N 15 124.4630 0.0000 . 1 . . . . . 4 ALA N . 50438 11
9 . 2 . 2 9 9 LYS H H 1 8.2550 0.0000 . 1 . . . . . 5 LYS H . 50438 11
10 . 2 . 2 9 9 LYS N N 15 121.2050 0.0000 . 1 . . . . . 5 LYS N . 50438 11
11 . 2 . 2 10 10 SER H H 1 8.2360 0.0000 . 1 . . . . . 6 SER H . 50438 11
12 . 2 . 2 10 10 SER N N 15 117.7310 0.0000 . 1 . . . . . 6 SER N . 50438 11
13 . 2 . 2 11 11 ALA H H 1 8.2620 0.0000 . 1 . . . . . 7 ALA H . 50438 11
14 . 2 . 2 11 11 ALA N N 15 127.4070 0.0000 . 1 . . . . . 7 ALA N . 50438 11
15 . 2 . 2 13 13 ALA H H 1 8.3610 0.0000 . 1 . . . . . 9 ALA H . 50438 11
16 . 2 . 2 13 13 ALA N N 15 126.2030 0.0000 . 1 . . . . . 9 ALA N . 50438 11
17 . 2 . 2 15 15 LYS H H 1 8.3970 0.0000 . 1 . . . . . 11 LYS H . 50438 11
18 . 2 . 2 15 15 LYS N N 15 122.5350 0.0000 . 1 . . . . . 11 LYS N . 50438 11
19 . 2 . 2 16 16 LYS H H 1 8.4360 0.0000 . 1 . . . . . 12 LYS H . 50438 11
20 . 2 . 2 16 16 LYS N N 15 123.6910 0.0000 . 1 . . . . . 12 LYS N . 50438 11
21 . 2 . 2 17 17 GLY H H 1 8.4960 0.0000 . 1 . . . . . 13 GLY H . 50438 11
22 . 2 . 2 17 17 GLY N N 15 111.0730 0.0000 . 1 . . . . . 13 GLY N . 50438 11
23 . 2 . 2 18 18 SER H H 1 8.1730 0.0000 . 1 . . . . . 14 SER H . 50438 11
24 . 2 . 2 18 18 SER N N 15 116.1200 0.0000 . 1 . . . . . 14 SER N . 50438 11
25 . 2 . 2 19 19 LYS H H 1 8.4730 0.0000 . 1 . . . . . 15 LYS H . 50438 11
26 . 2 . 2 19 19 LYS N N 15 123.9690 0.0000 . 1 . . . . . 15 LYS N . 50438 11
27 . 2 . 2 20 20 LYS H H 1 8.2910 0.0000 . 1 . . . . . 16 LYS H . 50438 11
28 . 2 . 2 20 20 LYS N N 15 123.0040 0.0000 . 1 . . . . . 16 LYS N . 50438 11
29 . 2 . 2 21 21 ALA H H 1 8.2900 0.0000 . 1 . . . . . 17 ALA H . 50438 11
30 . 2 . 2 21 21 ALA N N 15 125.9180 0.0000 . 1 . . . . . 17 ALA N . 50438 11
31 . 2 . 2 22 22 VAL H H 1 8.1360 0.0000 . 1 . . . . . 18 VAL H . 50438 11
32 . 2 . 2 22 22 VAL N N 15 120.2420 0.0000 . 1 . . . . . 18 VAL N . 50438 11
33 . 2 . 2 23 23 THR H H 1 8.2000 0.0000 . 1 . . . . . 19 THR H . 50438 11
34 . 2 . 2 23 23 THR N N 15 118.9810 0.0000 . 1 . . . . . 19 THR N . 50438 11
35 . 2 . 2 24 24 LYS H H 1 8.3560 0.0000 . 1 . . . . . 20 LYS H . 50438 11
36 . 2 . 2 24 24 LYS N N 15 124.6720 0.0000 . 1 . . . . . 20 LYS N . 50438 11
37 . 2 . 2 25 25 ALA H H 1 8.2870 0.0000 . 1 . . . . . 21 ALA H . 50438 11
38 . 2 . 2 25 25 ALA N N 15 125.2900 0.0000 . 1 . . . . . 21 ALA N . 50438 11
39 . 2 . 2 26 26 GLN H H 1 8.2780 0.0000 . 1 . . . . . 22 GLN H . 50438 11
40 . 2 . 2 26 26 GLN N N 15 120.1140 0.0000 . 1 . . . . . 22 GLN N . 50438 11
41 . 2 . 2 27 27 LYS H H 1 8.3460 0.0000 . 1 . . . . . 23 LYS H . 50438 11
42 . 2 . 2 27 27 LYS N N 15 123.5380 0.0000 . 1 . . . . . 23 LYS N . 50438 11
43 . 2 . 2 28 28 LYS H H 1 8.4590 0.0000 . 1 . . . . . 24 LYS H . 50438 11
44 . 2 . 2 28 28 LYS N N 15 123.4650 0.0000 . 1 . . . . . 24 LYS N . 50438 11
45 . 2 . 2 29 29 ASP H H 1 8.2700 0.0000 . 1 . . . . . 25 ASP H . 50438 11
46 . 2 . 2 29 29 ASP N N 15 121.2960 0.0000 . 1 . . . . . 25 ASP N . 50438 11
47 . 2 . 2 30 30 GLY H H 1 8.2380 0.0000 . 1 . . . . . 26 GLY H . 50438 11
48 . 2 . 2 30 30 GLY N N 15 109.4040 0.0000 . 1 . . . . . 26 GLY N . 50438 11
49 . 2 . 2 31 31 LYS H H 1 8.0510 0.0000 . 1 . . . . . 27 LYS H . 50438 11
50 . 2 . 2 31 31 LYS N N 15 121.3640 0.0000 . 1 . . . . . 27 LYS N . 50438 11
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_12
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_12
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 12
_Assigned_chem_shift_list.Name 'H2B_2_145nuc_25 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
8 '2D 1H-15N TROSY' . . . 50438 12
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 12
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 10 10 SER H H 1 8.2610 0.0000 . 1 . . . . . 6 SER H . 50438 12
2 . 2 . 2 10 10 SER N N 15 117.8840 0.0000 . 1 . . . . . 6 SER N . 50438 12
3 . 2 . 2 21 21 ALA H H 1 8.3100 0.0000 . 1 . . . . . 17 ALA H . 50438 12
4 . 2 . 2 21 21 ALA N N 15 125.9910 0.0000 . 1 . . . . . 17 ALA N . 50438 12
5 . 2 . 2 22 22 VAL H H 1 8.1490 0.0000 . 1 . . . . . 18 VAL H . 50438 12
6 . 2 . 2 22 22 VAL N N 15 120.4740 0.0000 . 1 . . . . . 18 VAL N . 50438 12
7 . 2 . 2 23 23 THR H H 1 8.2180 0.0000 . 1 . . . . . 19 THR H . 50438 12
8 . 2 . 2 23 23 THR N N 15 119.1430 0.0000 . 1 . . . . . 19 THR N . 50438 12
9 . 2 . 2 24 24 LYS H H 1 8.3690 0.0000 . 1 . . . . . 20 LYS H . 50438 12
10 . 2 . 2 24 24 LYS N N 15 124.6400 0.0000 . 1 . . . . . 20 LYS N . 50438 12
11 . 2 . 2 25 25 ALA H H 1 8.3070 0.0000 . 1 . . . . . 21 ALA H . 50438 12
12 . 2 . 2 25 25 ALA N N 15 125.4280 0.0000 . 1 . . . . . 21 ALA N . 50438 12
13 . 2 . 2 26 26 GLN H H 1 8.2930 0.0000 . 1 . . . . . 22 GLN H . 50438 12
14 . 2 . 2 26 26 GLN N N 15 120.2630 0.0000 . 1 . . . . . 22 GLN N . 50438 12
15 . 2 . 2 27 27 LYS H H 1 8.3530 0.0000 . 1 . . . . . 23 LYS H . 50438 12
16 . 2 . 2 27 27 LYS N N 15 123.6160 0.0000 . 1 . . . . . 23 LYS N . 50438 12
17 . 2 . 2 28 28 LYS H H 1 8.4810 0.0000 . 1 . . . . . 24 LYS H . 50438 12
18 . 2 . 2 28 28 LYS N N 15 123.5870 0.0000 . 1 . . . . . 24 LYS N . 50438 12
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_13
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_13
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 13
_Assigned_chem_shift_list.Name 'H2A_2_145nuc_400 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N TROSY' . . . 50438 13
2 '3D HNCA' . . . 50438 13
3 '3D HNCACB' . . . 50438 13
4 '3D HNCO' . . . 50438 13
5 '3D HN(CA)CO' . . . 50438 13
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 13
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 8 8 GLY H H 1 8.4510 0.0000 . 1 . . . . . 4 GLY H . 50438 13
2 . 1 . 1 8 8 GLY C C 13 174.2340 0.0000 . 1 . . . . . 4 GLY C . 50438 13
3 . 1 . 1 8 8 GLY CA C 13 44.8470 0.0000 . 1 . . . . . 4 GLY CA . 50438 13
4 . 1 . 1 8 8 GLY N N 15 110.2820 0.0000 . 1 . . . . . 4 GLY N . 50438 13
5 . 1 . 1 11 11 GLY H H 1 8.4120 0.0000 . 1 . . . . . 7 GLY H . 50438 13
6 . 1 . 1 11 11 GLY C C 13 174.6990 0.0000 . 1 . . . . . 7 GLY C . 50438 13
7 . 1 . 1 11 11 GLY CA C 13 44.9460 0.0000 . 1 . . . . . 7 GLY CA . 50438 13
8 . 1 . 1 11 11 GLY N N 15 110.6500 0.0000 . 1 . . . . . 7 GLY N . 50438 13
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_14
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_14
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 14
_Assigned_chem_shift_list.Name 'H2B_145nuc_400 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N TROSY' . . . 50438 14
2 '3D HNCA' . . . 50438 14
3 '3D HNCACB' . . . 50438 14
4 '3D HNCO' . . . 50438 14
5 '3D HN(CA)CO' . . . 50438 14
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 14
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 2 2 PRO C C 13 177.4680 0.0000 . 1 . . . . . -2 PRO C . 50438 14
2 . 2 . 2 2 2 PRO CB C 13 31.3140 0.0000 . 1 . . . . . -2 PRO CB . 50438 14
3 . 2 . 2 3 3 GLY H H 1 8.5500 0.0000 . 1 . . . . . -1 GLY H . 50438 14
4 . 2 . 2 3 3 GLY C C 13 173.7630 0.0000 . 1 . . . . . -1 GLY C . 50438 14
5 . 2 . 2 3 3 GLY CA C 13 44.7400 0.0000 . 1 . . . . . -1 GLY CA . 50438 14
6 . 2 . 2 3 3 GLY N N 15 110.3950 0.0000 . 1 . . . . . -1 GLY N . 50438 14
7 . 2 . 2 4 4 MET H H 1 8.1160 0.0000 . 1 . . . . . 0 MET H . 50438 14
8 . 2 . 2 4 4 MET C C 13 174.1820 0.0000 . 1 . . . . . 0 MET C . 50438 14
9 . 2 . 2 4 4 MET CA C 13 52.8630 0.0000 . 1 . . . . . 0 MET CA . 50438 14
10 . 2 . 2 4 4 MET CB C 13 31.8010 0.0000 . 1 . . . . . 0 MET CB . 50438 14
11 . 2 . 2 4 4 MET N N 15 121.4900 0.0000 . 1 . . . . . 0 MET N . 50438 14
12 . 2 . 2 5 5 PRO C C 13 176.6820 0.0000 . 1 . . . . . 1 PRO C . 50438 14
13 . 2 . 2 5 5 PRO CA C 13 62.6070 0.0000 . 1 . . . . . 1 PRO CA . 50438 14
14 . 2 . 2 5 5 PRO CB C 13 31.3670 0.0000 . 1 . . . . . 1 PRO CB . 50438 14
15 . 2 . 2 6 6 GLU H H 1 8.4470 0.0000 . 1 . . . . . 2 GLU H . 50438 14
16 . 2 . 2 6 6 GLU C C 13 174.7440 0.0000 . 1 . . . . . 2 GLU C . 50438 14
17 . 2 . 2 6 6 GLU CA C 13 53.9220 0.0000 . 1 . . . . . 2 GLU CA . 50438 14
18 . 2 . 2 6 6 GLU CB C 13 28.9100 0.0000 . 1 . . . . . 2 GLU CB . 50438 14
19 . 2 . 2 6 6 GLU N N 15 123.0570 0.0000 . 1 . . . . . 2 GLU N . 50438 14
20 . 2 . 2 7 7 PRO CA C 13 62.7560 0.0000 . 1 . . . . . 3 PRO CA . 50438 14
21 . 2 . 2 7 7 PRO CB C 13 31.1910 0.0000 . 1 . . . . . 3 PRO CB . 50438 14
22 . 2 . 2 8 8 ALA H H 1 8.3720 0.0000 . 1 . . . . . 4 ALA H . 50438 14
23 . 2 . 2 8 8 ALA C C 13 178.0040 0.0000 . 1 . . . . . 4 ALA C . 50438 14
24 . 2 . 2 8 8 ALA CA C 13 52.1420 0.0000 . 1 . . . . . 4 ALA CA . 50438 14
25 . 2 . 2 8 8 ALA CB C 13 18.3410 0.0000 . 1 . . . . . 4 ALA CB . 50438 14
26 . 2 . 2 8 8 ALA N N 15 124.5030 0.0000 . 1 . . . . . 4 ALA N . 50438 14
27 . 2 . 2 9 9 LYS H H 1 8.2850 0.0000 . 1 . . . . . 5 LYS H . 50438 14
28 . 2 . 2 9 9 LYS C C 13 176.6820 0.0000 . 1 . . . . . 5 LYS C . 50438 14
29 . 2 . 2 9 9 LYS CA C 13 55.8540 0.0000 . 1 . . . . . 5 LYS CA . 50438 14
30 . 2 . 2 9 9 LYS CB C 13 32.2840 0.0000 . 1 . . . . . 5 LYS CB . 50438 14
31 . 2 . 2 9 9 LYS N N 15 121.1510 0.0000 . 1 . . . . . 5 LYS N . 50438 14
32 . 2 . 2 10 10 SER H H 1 8.2250 0.0000 . 1 . . . . . 6 SER H . 50438 14
33 . 2 . 2 10 10 SER C C 13 173.7100 0.0000 . 1 . . . . . 6 SER C . 50438 14
34 . 2 . 2 10 10 SER CA C 13 57.7490 0.0000 . 1 . . . . . 6 SER CA . 50438 14
35 . 2 . 2 10 10 SER CB C 13 63.5890 0.0000 . 1 . . . . . 6 SER CB . 50438 14
36 . 2 . 2 10 10 SER N N 15 117.4070 0.0000 . 1 . . . . . 6 SER N . 50438 14
37 . 2 . 2 11 11 ALA H H 1 8.2760 0.0000 . 1 . . . . . 7 ALA H . 50438 14
38 . 2 . 2 11 11 ALA C C 13 175.3730 0.0000 . 1 . . . . . 7 ALA C . 50438 14
39 . 2 . 2 11 11 ALA CA C 13 50.1480 0.0000 . 1 . . . . . 7 ALA CA . 50438 14
40 . 2 . 2 11 11 ALA CB C 13 17.5880 0.0000 . 1 . . . . . 7 ALA CB . 50438 14
41 . 2 . 2 11 11 ALA N N 15 127.4860 0.0000 . 1 . . . . . 7 ALA N . 50438 14
42 . 2 . 2 12 12 PRO C C 13 176.3810 0.0000 . 1 . . . . . 8 PRO C . 50438 14
43 . 2 . 2 12 12 PRO CA C 13 62.3760 0.0000 . 1 . . . . . 8 PRO CA . 50438 14
44 . 2 . 2 12 12 PRO CB C 13 31.2160 0.0000 . 1 . . . . . 8 PRO CB . 50438 14
45 . 2 . 2 13 13 ALA H H 1 8.3660 0.0000 . 1 . . . . . 9 ALA H . 50438 14
46 . 2 . 2 13 13 ALA C C 13 175.6610 0.0000 . 1 . . . . . 9 ALA C . 50438 14
47 . 2 . 2 13 13 ALA CA C 13 49.9810 0.0000 . 1 . . . . . 9 ALA CA . 50438 14
48 . 2 . 2 13 13 ALA CB C 13 17.2510 0.0000 . 1 . . . . . 9 ALA CB . 50438 14
49 . 2 . 2 13 13 ALA N N 15 126.1640 0.0000 . 1 . . . . . 9 ALA N . 50438 14
50 . 2 . 2 14 14 PRO C C 13 177.0090 0.0000 . 1 . . . . . 10 PRO C . 50438 14
51 . 2 . 2 14 14 PRO CA C 13 62.5000 0.0000 . 1 . . . . . 10 PRO CA . 50438 14
52 . 2 . 2 14 14 PRO CB C 13 32.1460 0.0000 . 1 . . . . . 10 PRO CB . 50438 14
53 . 2 . 2 15 15 LYS H H 1 8.4020 0.0000 . 1 . . . . . 11 LYS H . 50438 14
54 . 2 . 2 15 15 LYS C C 13 176.9310 0.0000 . 1 . . . . . 11 LYS C . 50438 14
55 . 2 . 2 15 15 LYS CA C 13 55.8550 0.0000 . 1 . . . . . 11 LYS CA . 50438 14
56 . 2 . 2 15 15 LYS CB C 13 31.8890 0.0000 . 1 . . . . . 11 LYS CB . 50438 14
57 . 2 . 2 15 15 LYS N N 15 122.4760 0.0000 . 1 . . . . . 11 LYS N . 50438 14
58 . 2 . 2 16 16 LYS H H 1 8.4040 0.0000 . 1 . . . . . 12 LYS H . 50438 14
59 . 2 . 2 16 16 LYS C C 13 177.2060 0.0000 . 1 . . . . . 12 LYS C . 50438 14
60 . 2 . 2 16 16 LYS CA C 13 56.1950 0.0000 . 1 . . . . . 12 LYS CA . 50438 14
61 . 2 . 2 16 16 LYS CB C 13 31.9730 0.0000 . 1 . . . . . 12 LYS CB . 50438 14
62 . 2 . 2 16 16 LYS N N 15 123.7970 0.0000 . 1 . . . . . 12 LYS N . 50438 14
63 . 2 . 2 17 17 GLY H H 1 8.4710 0.0000 . 1 . . . . . 13 GLY H . 50438 14
64 . 2 . 2 17 17 GLY C C 13 174.1550 0.0000 . 1 . . . . . 13 GLY C . 50438 14
65 . 2 . 2 17 17 GLY CA C 13 44.8210 0.0000 . 1 . . . . . 13 GLY CA . 50438 14
66 . 2 . 2 17 17 GLY N N 15 111.1780 0.0000 . 1 . . . . . 13 GLY N . 50438 14
67 . 2 . 2 18 18 SER H H 1 8.1660 0.0000 . 1 . . . . . 14 SER H . 50438 14
68 . 2 . 2 18 18 SER C C 13 174.6790 0.0000 . 1 . . . . . 14 SER C . 50438 14
69 . 2 . 2 18 18 SER CA C 13 58.0550 0.0000 . 1 . . . . . 14 SER CA . 50438 14
70 . 2 . 2 18 18 SER CB C 13 63.8590 0.0000 . 1 . . . . . 14 SER CB . 50438 14
71 . 2 . 2 18 18 SER N N 15 116.1340 0.0000 . 1 . . . . . 14 SER N . 50438 14
72 . 2 . 2 19 19 LYS H H 1 8.3990 0.0000 . 1 . . . . . 15 LYS H . 50438 14
73 . 2 . 2 19 19 LYS C C 13 176.6820 0.0000 . 1 . . . . . 15 LYS C . 50438 14
74 . 2 . 2 19 19 LYS CA C 13 56.0930 0.0000 . 1 . . . . . 15 LYS CA . 50438 14
75 . 2 . 2 19 19 LYS CB C 13 31.9660 0.0000 . 1 . . . . . 15 LYS CB . 50438 14
76 . 2 . 2 19 19 LYS N N 15 123.9810 0.0000 . 1 . . . . . 15 LYS N . 50438 14
77 . 2 . 2 20 20 LYS H H 1 8.2690 0.0000 . 1 . . . . . 16 LYS H . 50438 14
78 . 2 . 2 20 20 LYS C C 13 176.3420 0.0000 . 1 . . . . . 16 LYS C . 50438 14
79 . 2 . 2 20 20 LYS CA C 13 56.1530 0.0000 . 1 . . . . . 16 LYS CA . 50438 14
80 . 2 . 2 20 20 LYS CB C 13 32.1620 0.0000 . 1 . . . . . 16 LYS CB . 50438 14
81 . 2 . 2 20 20 LYS N N 15 123.3860 0.0000 . 1 . . . . . 16 LYS N . 50438 14
82 . 2 . 2 21 21 ALA H H 1 8.3020 0.0000 . 1 . . . . . 17 ALA H . 50438 14
83 . 2 . 2 21 21 ALA C C 13 177.7160 0.0000 . 1 . . . . . 17 ALA C . 50438 14
84 . 2 . 2 21 21 ALA CA C 13 52.0470 0.0000 . 1 . . . . . 17 ALA CA . 50438 14
85 . 2 . 2 21 21 ALA CB C 13 18.4020 0.0000 . 1 . . . . . 17 ALA CB . 50438 14
86 . 2 . 2 21 21 ALA N N 15 126.1950 0.0000 . 1 . . . . . 17 ALA N . 50438 14
87 . 2 . 2 22 22 VAL H H 1 8.1600 0.0000 . 1 . . . . . 18 VAL H . 50438 14
88 . 2 . 2 22 22 VAL C C 13 176.5220 0.0000 . 1 . . . . . 18 VAL C . 50438 14
89 . 2 . 2 22 22 VAL CA C 13 61.8990 0.0000 . 1 . . . . . 18 VAL CA . 50438 14
90 . 2 . 2 22 22 VAL CB C 13 31.8470 0.0000 . 1 . . . . . 18 VAL CB . 50438 14
91 . 2 . 2 22 22 VAL N N 15 120.5060 0.0000 . 1 . . . . . 18 VAL N . 50438 14
92 . 2 . 2 23 23 THR H H 1 8.2110 0.0000 . 1 . . . . . 19 THR H . 50438 14
93 . 2 . 2 23 23 THR C C 13 174.5000 0.0000 . 1 . . . . . 19 THR C . 50438 14
94 . 2 . 2 23 23 THR CA C 13 61.4930 0.0000 . 1 . . . . . 19 THR CA . 50438 14
95 . 2 . 2 23 23 THR CB C 13 69.3630 0.0000 . 1 . . . . . 19 THR CB . 50438 14
96 . 2 . 2 23 23 THR N N 15 119.0430 0.0000 . 1 . . . . . 19 THR N . 50438 14
97 . 2 . 2 24 24 LYS H H 1 8.3480 0.0000 . 1 . . . . . 20 LYS H . 50438 14
98 . 2 . 2 24 24 LYS C C 13 176.4330 0.0000 . 1 . . . . . 20 LYS C . 50438 14
99 . 2 . 2 24 24 LYS CA C 13 56.0970 0.0000 . 1 . . . . . 20 LYS CA . 50438 14
100 . 2 . 2 24 24 LYS CB C 13 32.0860 0.0000 . 1 . . . . . 20 LYS CB . 50438 14
101 . 2 . 2 24 24 LYS N N 15 124.5090 0.0000 . 1 . . . . . 20 LYS N . 50438 14
102 . 2 . 2 25 25 ALA H H 1 8.2910 0.0000 . 1 . . . . . 21 ALA H . 50438 14
103 . 2 . 2 25 25 ALA C C 13 177.7950 0.0000 . 1 . . . . . 21 ALA C . 50438 14
104 . 2 . 2 25 25 ALA CA C 13 52.2340 0.0000 . 1 . . . . . 21 ALA CA . 50438 14
105 . 2 . 2 25 25 ALA CB C 13 18.4170 0.0000 . 1 . . . . . 21 ALA CB . 50438 14
106 . 2 . 2 25 25 ALA N N 15 125.5310 0.0000 . 1 . . . . . 21 ALA N . 50438 14
107 . 2 . 2 26 26 GLN H H 1 8.2780 0.0000 . 1 . . . . . 22 GLN H . 50438 14
108 . 2 . 2 26 26 GLN C C 13 176.1390 0.0000 . 1 . . . . . 22 GLN C . 50438 14
109 . 2 . 2 26 26 GLN CA C 13 55.3540 0.0000 . 1 . . . . . 22 GLN CA . 50438 14
110 . 2 . 2 26 26 GLN CB C 13 28.8580 0.0000 . 1 . . . . . 22 GLN CB . 50438 14
111 . 2 . 2 26 26 GLN N N 15 120.2220 0.0000 . 1 . . . . . 22 GLN N . 50438 14
112 . 2 . 2 27 27 LYS H H 1 8.3300 0.0000 . 1 . . . . . 23 LYS H . 50438 14
113 . 2 . 2 27 27 LYS C C 13 176.8060 0.0000 . 1 . . . . . 23 LYS C . 50438 14
114 . 2 . 2 27 27 LYS CA C 13 56.0900 0.0000 . 1 . . . . . 23 LYS CA . 50438 14
115 . 2 . 2 27 27 LYS CB C 13 32.0130 0.0000 . 1 . . . . . 23 LYS CB . 50438 14
116 . 2 . 2 27 27 LYS N N 15 123.5560 0.0000 . 1 . . . . . 23 LYS N . 50438 14
117 . 2 . 2 28 28 LYS H H 1 8.4360 0.0000 . 1 . . . . . 24 LYS H . 50438 14
118 . 2 . 2 28 28 LYS C C 13 176.3810 0.0000 . 1 . . . . . 24 LYS C . 50438 14
119 . 2 . 2 28 28 LYS CA C 13 56.0750 0.0000 . 1 . . . . . 24 LYS CA . 50438 14
120 . 2 . 2 28 28 LYS CB C 13 31.8310 0.0000 . 1 . . . . . 24 LYS CB . 50438 14
121 . 2 . 2 28 28 LYS N N 15 123.5180 0.0000 . 1 . . . . . 24 LYS N . 50438 14
122 . 2 . 2 29 29 ASP H H 1 8.3000 0.0000 . 1 . . . . . 25 ASP H . 50438 14
123 . 2 . 2 29 29 ASP C C 13 176.6820 0.0000 . 1 . . . . . 25 ASP C . 50438 14
124 . 2 . 2 29 29 ASP CA C 13 54.0300 0.0000 . 1 . . . . . 25 ASP CA . 50438 14
125 . 2 . 2 29 29 ASP CB C 13 40.6280 0.0000 . 1 . . . . . 25 ASP CB . 50438 14
126 . 2 . 2 29 29 ASP N N 15 121.7460 0.0000 . 1 . . . . . 25 ASP N . 50438 14
127 . 2 . 2 30 30 GLY H H 1 8.2550 0.0000 . 1 . . . . . 26 GLY H . 50438 14
128 . 2 . 2 30 30 GLY C C 13 173.9850 0.0000 . 1 . . . . . 26 GLY C . 50438 14
129 . 2 . 2 30 30 GLY CA C 13 44.8550 0.0000 . 1 . . . . . 26 GLY CA . 50438 14
130 . 2 . 2 30 30 GLY N N 15 109.5510 0.0000 . 1 . . . . . 26 GLY N . 50438 14
131 . 2 . 2 31 31 LYS H H 1 8.1420 0.0000 . 1 . . . . . 27 LYS H . 50438 14
132 . 2 . 2 31 31 LYS C C 13 176.2630 0.0000 . 1 . . . . . 27 LYS C . 50438 14
133 . 2 . 2 31 31 LYS CA C 13 55.7360 0.0000 . 1 . . . . . 27 LYS CA . 50438 14
134 . 2 . 2 31 31 LYS CB C 13 32.3800 0.0000 . 1 . . . . . 27 LYS CB . 50438 14
135 . 2 . 2 31 31 LYS N N 15 121.5680 0.0000 . 1 . . . . . 27 LYS N . 50438 14
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_15
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_15
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 15
_Assigned_chem_shift_list.Name 'H2A_1_193nuc_25 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
9 '2D 1H-15N TROSY' . . . 50438 15
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 15
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 GLY H H 1 8.5840 0.0000 . 1 . . . . . -1 GLY H . 50438 15
2 . 1 . 1 3 3 GLY N N 15 110.1510 0.0000 . 1 . . . . . -1 GLY N . 50438 15
3 . 1 . 1 4 4 MET H H 1 8.2690 0.0000 . 1 . . . . . 0 MET H . 50438 15
4 . 1 . 1 4 4 MET N N 15 120.4910 0.0000 . 1 . . . . . 0 MET N . 50438 15
5 . 1 . 1 5 5 SER H H 1 8.3610 0.0000 . 1 . . . . . 1 SER H . 50438 15
6 . 1 . 1 5 5 SER N N 15 117.4200 0.0000 . 1 . . . . . 1 SER N . 50438 15
7 . 1 . 1 6 6 GLY H H 1 8.4330 0.0000 . 1 . . . . . 2 GLY H . 50438 15
8 . 1 . 1 6 6 GLY N N 15 111.1590 0.0000 . 1 . . . . . 2 GLY N . 50438 15
9 . 1 . 1 7 7 ARG H H 1 8.1210 0.0000 . 1 . . . . . 3 ARG H . 50438 15
10 . 1 . 1 7 7 ARG N N 15 120.6900 0.0000 . 1 . . . . . 3 ARG N . 50438 15
11 . 1 . 1 8 8 GLY H H 1 8.4500 0.0000 . 1 . . . . . 4 GLY H . 50438 15
12 . 1 . 1 8 8 GLY N N 15 110.1710 0.0000 . 1 . . . . . 4 GLY N . 50438 15
13 . 1 . 1 9 9 LYS H H 1 8.1760 0.0000 . 1 . . . . . 5 LYS H . 50438 15
14 . 1 . 1 9 9 LYS N N 15 121.4840 0.0000 . 1 . . . . . 5 LYS N . 50438 15
15 . 1 . 1 10 10 GLN H H 1 8.5010 0.0000 . 1 . . . . . 6 GLN H . 50438 15
16 . 1 . 1 10 10 GLN N N 15 121.9110 0.0000 . 1 . . . . . 6 GLN N . 50438 15
17 . 1 . 1 11 11 GLY H H 1 8.3920 0.0000 . 1 . . . . . 7 GLY H . 50438 15
18 . 1 . 1 11 11 GLY N N 15 110.4840 0.0000 . 1 . . . . . 7 GLY N . 50438 15
19 . 1 . 1 12 12 GLY H H 1 8.2760 0.0000 . 1 . . . . . 8 GLY H . 50438 15
20 . 1 . 1 12 12 GLY N N 15 109.3160 0.0000 . 1 . . . . . 8 GLY N . 50438 15
21 . 1 . 1 124 124 THR H H 1 8.2440 0.0000 . 1 . . . . . 120 THR H . 50438 15
22 . 1 . 1 124 124 THR N N 15 117.1690 0.0000 . 1 . . . . . 120 THR N . 50438 15
23 . 1 . 1 125 125 GLU H H 1 8.4870 0.0000 . 1 . . . . . 121 GLU H . 50438 15
24 . 1 . 1 125 125 GLU N N 15 124.3020 0.0000 . 1 . . . . . 121 GLU N . 50438 15
25 . 1 . 1 126 126 SER H H 1 8.3880 0.0000 . 1 . . . . . 122 SER H . 50438 15
26 . 1 . 1 126 126 SER N N 15 118.0370 0.0000 . 1 . . . . . 122 SER N . 50438 15
27 . 1 . 1 127 127 HIS H H 1 8.6520 0.0000 . 1 . . . . . 123 HIS H . 50438 15
28 . 1 . 1 127 127 HIS N N 15 120.9800 0.0000 . 1 . . . . . 123 HIS N . 50438 15
29 . 1 . 1 128 128 HIS H H 1 8.5510 0.0000 . 1 . . . . . 124 HIS H . 50438 15
30 . 1 . 1 128 128 HIS N N 15 120.4060 0.0000 . 1 . . . . . 124 HIS N . 50438 15
31 . 1 . 1 129 129 LYS H H 1 8.5250 0.0000 . 1 . . . . . 125 LYS H . 50438 15
32 . 1 . 1 129 129 LYS N N 15 124.2570 0.0000 . 1 . . . . . 125 LYS N . 50438 15
33 . 1 . 1 130 130 ALA H H 1 8.4520 0.0000 . 1 . . . . . 126 ALA H . 50438 15
34 . 1 . 1 130 130 ALA N N 15 126.6050 0.0000 . 1 . . . . . 126 ALA N . 50438 15
35 . 1 . 1 131 131 LYS H H 1 8.4250 0.0000 . 1 . . . . . 127 LYS H . 50438 15
36 . 1 . 1 131 131 LYS N N 15 121.7610 0.0000 . 1 . . . . . 127 LYS N . 50438 15
37 . 1 . 1 132 132 GLY H H 1 8.4400 0.0000 . 1 . . . . . 128 GLY H . 50438 15
38 . 1 . 1 132 132 GLY N N 15 111.2060 0.0000 . 1 . . . . . 128 GLY N . 50438 15
39 . 1 . 1 133 133 LYS H H 1 7.8060 0.0000 . 1 . . . . . 129 LYS H . 50438 15
40 . 1 . 1 133 133 LYS N N 15 126.2720 0.0000 . 1 . . . . . 129 LYS N . 50438 15
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_16
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_16
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 16
_Assigned_chem_shift_list.Name 'H2A_2_193nuc_25 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
9 '2D 1H-15N TROSY' . . . 50438 16
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 16
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 6 6 GLY H H 1 8.4740 0.0000 . 1 . . . . . 2 GLY H . 50438 16
2 . 1 . 1 6 6 GLY N N 15 111.2820 0.0000 . 1 . . . . . 2 GLY N . 50438 16
3 . 1 . 1 7 7 ARG H H 1 8.1450 0.0000 . 1 . . . . . 3 ARG H . 50438 16
4 . 1 . 1 7 7 ARG N N 15 120.6970 0.0000 . 1 . . . . . 3 ARG N . 50438 16
5 . 1 . 1 8 8 GLY H H 1 8.4890 0.0000 . 1 . . . . . 4 GLY H . 50438 16
6 . 1 . 1 8 8 GLY N N 15 110.4200 0.0000 . 1 . . . . . 4 GLY N . 50438 16
7 . 1 . 1 9 9 LYS H H 1 8.2080 0.0000 . 1 . . . . . 5 LYS H . 50438 16
8 . 1 . 1 9 9 LYS N N 15 121.3700 0.0000 . 1 . . . . . 5 LYS N . 50438 16
9 . 1 . 1 10 10 GLN H H 1 8.5120 0.0000 . 1 . . . . . 6 GLN H . 50438 16
10 . 1 . 1 10 10 GLN N N 15 122.1160 0.0000 . 1 . . . . . 6 GLN N . 50438 16
11 . 1 . 1 11 11 GLY H H 1 8.4310 0.0000 . 1 . . . . . 7 GLY H . 50438 16
12 . 1 . 1 11 11 GLY N N 15 110.5510 0.0000 . 1 . . . . . 7 GLY N . 50438 16
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_17
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_17
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 17
_Assigned_chem_shift_list.Name 'H2B_1_193nuc_25 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
9 '2D 1H-15N TROSY' . . . 50438 17
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 17
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 3 3 GLY H H 1 8.5520 0.0000 . 1 . . . . . -1 GLY H . 50438 17
2 . 2 . 2 3 3 GLY N N 15 110.4180 0.0000 . 1 . . . . . -1 GLY N . 50438 17
3 . 2 . 2 4 4 MET H H 1 8.0810 0.0000 . 1 . . . . . 0 MET H . 50438 17
4 . 2 . 2 4 4 MET N N 15 121.4640 0.0000 . 1 . . . . . 0 MET N . 50438 17
5 . 2 . 2 6 6 GLU H H 1 8.4100 0.0000 . 1 . . . . . 2 GLU H . 50438 17
6 . 2 . 2 6 6 GLU N N 15 122.9980 0.0000 . 1 . . . . . 2 GLU N . 50438 17
7 . 2 . 2 8 8 ALA H H 1 8.3400 0.0000 . 1 . . . . . 4 ALA H . 50438 17
8 . 2 . 2 8 8 ALA N N 15 124.5190 0.0000 . 1 . . . . . 4 ALA N . 50438 17
9 . 2 . 2 9 9 LYS H H 1 8.2540 0.0000 . 1 . . . . . 5 LYS H . 50438 17
10 . 2 . 2 9 9 LYS N N 15 121.2720 0.0000 . 1 . . . . . 5 LYS N . 50438 17
11 . 2 . 2 10 10 SER H H 1 8.2430 0.0000 . 1 . . . . . 6 SER H . 50438 17
12 . 2 . 2 10 10 SER N N 15 117.8070 0.0000 . 1 . . . . . 6 SER N . 50438 17
13 . 2 . 2 11 11 ALA H H 1 8.2630 0.0000 . 1 . . . . . 7 ALA H . 50438 17
14 . 2 . 2 11 11 ALA N N 15 127.4800 0.0000 . 1 . . . . . 7 ALA N . 50438 17
15 . 2 . 2 13 13 ALA H H 1 8.3650 0.0000 . 1 . . . . . 9 ALA H . 50438 17
16 . 2 . 2 13 13 ALA N N 15 126.2040 0.0000 . 1 . . . . . 9 ALA N . 50438 17
17 . 2 . 2 15 15 LYS H H 1 8.4020 0.0000 . 1 . . . . . 11 LYS H . 50438 17
18 . 2 . 2 15 15 LYS N N 15 122.6070 0.0000 . 1 . . . . . 11 LYS N . 50438 17
19 . 2 . 2 16 16 LYS H H 1 8.4410 0.0000 . 1 . . . . . 12 LYS H . 50438 17
20 . 2 . 2 16 16 LYS N N 15 123.7680 0.0000 . 1 . . . . . 12 LYS N . 50438 17
21 . 2 . 2 17 17 GLY H H 1 8.4960 0.0000 . 1 . . . . . 13 GLY H . 50438 17
22 . 2 . 2 17 17 GLY N N 15 111.1250 0.0000 . 1 . . . . . 13 GLY N . 50438 17
23 . 2 . 2 18 18 SER H H 1 8.1770 0.0000 . 1 . . . . . 14 SER H . 50438 17
24 . 2 . 2 18 18 SER N N 15 116.1850 0.0000 . 1 . . . . . 14 SER N . 50438 17
25 . 2 . 2 19 19 LYS H H 1 8.4800 0.0000 . 1 . . . . . 15 LYS H . 50438 17
26 . 2 . 2 19 19 LYS N N 15 124.0780 0.0000 . 1 . . . . . 15 LYS N . 50438 17
27 . 2 . 2 20 20 LYS H H 1 8.3000 0.0000 . 1 . . . . . 16 LYS H . 50438 17
28 . 2 . 2 20 20 LYS N N 15 123.0910 0.0000 . 1 . . . . . 16 LYS N . 50438 17
29 . 2 . 2 21 21 ALA H H 1 8.2960 0.0000 . 1 . . . . . 17 ALA H . 50438 17
30 . 2 . 2 21 21 ALA N N 15 125.9350 0.0000 . 1 . . . . . 17 ALA N . 50438 17
31 . 2 . 2 22 22 VAL H H 1 8.1370 0.0000 . 1 . . . . . 18 VAL H . 50438 17
32 . 2 . 2 22 22 VAL N N 15 120.3130 0.0000 . 1 . . . . . 18 VAL N . 50438 17
33 . 2 . 2 23 23 THR H H 1 8.2060 0.0000 . 1 . . . . . 19 THR H . 50438 17
34 . 2 . 2 23 23 THR N N 15 118.9810 0.0000 . 1 . . . . . 19 THR N . 50438 17
35 . 2 . 2 24 24 LYS H H 1 8.3580 0.0000 . 1 . . . . . 20 LYS H . 50438 17
36 . 2 . 2 24 24 LYS N N 15 124.6960 0.0000 . 1 . . . . . 20 LYS N . 50438 17
37 . 2 . 2 25 25 ALA H H 1 8.2840 0.0000 . 1 . . . . . 21 ALA H . 50438 17
38 . 2 . 2 25 25 ALA N N 15 125.2930 0.0000 . 1 . . . . . 21 ALA N . 50438 17
39 . 2 . 2 26 26 GLN H H 1 8.2770 0.0000 . 1 . . . . . 22 GLN H . 50438 17
40 . 2 . 2 26 26 GLN N N 15 120.2030 0.0000 . 1 . . . . . 22 GLN N . 50438 17
41 . 2 . 2 27 27 LYS H H 1 8.3490 0.0000 . 1 . . . . . 23 LYS H . 50438 17
42 . 2 . 2 27 27 LYS N N 15 123.6170 0.0000 . 1 . . . . . 23 LYS N . 50438 17
43 . 2 . 2 28 28 LYS H H 1 8.4580 0.0000 . 1 . . . . . 24 LYS H . 50438 17
44 . 2 . 2 28 28 LYS N N 15 123.5260 0.0000 . 1 . . . . . 24 LYS N . 50438 17
45 . 2 . 2 29 29 ASP H H 1 8.2760 0.0000 . 1 . . . . . 25 ASP H . 50438 17
46 . 2 . 2 29 29 ASP N N 15 121.3690 0.0000 . 1 . . . . . 25 ASP N . 50438 17
47 . 2 . 2 30 30 GLY H H 1 8.2290 0.0000 . 1 . . . . . 26 GLY H . 50438 17
48 . 2 . 2 30 30 GLY N N 15 109.4510 0.0000 . 1 . . . . . 26 GLY N . 50438 17
49 . 2 . 2 31 31 LYS H H 1 8.0480 0.0000 . 1 . . . . . 27 LYS H . 50438 17
50 . 2 . 2 31 31 LYS N N 15 121.5360 0.0000 . 1 . . . . . 27 LYS N . 50438 17
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_18
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_18
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 18
_Assigned_chem_shift_list.Name 'H2B_2_193nuc_25 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
9 '2D 1H-15N TROSY' . . . 50438 18
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 18
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 10 10 SER H H 1 8.2700 0.0000 . 1 . . . . . 6 SER H . 50438 18
2 . 2 . 2 10 10 SER N N 15 117.9480 0.0000 . 1 . . . . . 6 SER N . 50438 18
3 . 2 . 2 21 21 ALA H H 1 8.3170 0.0000 . 1 . . . . . 17 ALA H . 50438 18
4 . 2 . 2 21 21 ALA N N 15 126.0750 0.0000 . 1 . . . . . 17 ALA N . 50438 18
5 . 2 . 2 22 22 VAL H H 1 8.1600 0.0000 . 1 . . . . . 18 VAL H . 50438 18
6 . 2 . 2 22 22 VAL N N 15 120.4300 0.0000 . 1 . . . . . 18 VAL N . 50438 18
7 . 2 . 2 23 23 THR H H 1 8.2250 0.0000 . 1 . . . . . 19 THR H . 50438 18
8 . 2 . 2 23 23 THR N N 15 119.2510 0.0000 . 1 . . . . . 19 THR N . 50438 18
9 . 2 . 2 24 24 LYS H H 1 8.3830 0.0000 . 1 . . . . . 20 LYS H . 50438 18
10 . 2 . 2 24 24 LYS N N 15 124.8250 0.0000 . 1 . . . . . 20 LYS N . 50438 18
11 . 2 . 2 25 25 ALA H H 1 8.3150 0.0000 . 1 . . . . . 21 ALA H . 50438 18
12 . 2 . 2 25 25 ALA N N 15 125.5680 0.0000 . 1 . . . . . 21 ALA N . 50438 18
13 . 2 . 2 26 26 GLN H H 1 8.3030 0.0000 . 1 . . . . . 22 GLN H . 50438 18
14 . 2 . 2 26 26 GLN N N 15 120.3510 0.0000 . 1 . . . . . 22 GLN N . 50438 18
15 . 2 . 2 27 27 LYS H H 1 8.3640 0.0000 . 1 . . . . . 23 LYS H . 50438 18
16 . 2 . 2 27 27 LYS N N 15 123.7460 0.0000 . 1 . . . . . 23 LYS N . 50438 18
17 . 2 . 2 28 28 LYS H H 1 8.4880 0.0000 . 1 . . . . . 24 LYS H . 50438 18
18 . 2 . 2 28 28 LYS N N 15 123.6720 0.0000 . 1 . . . . . 24 LYS N . 50438 18
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_19
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_19
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 19
_Assigned_chem_shift_list.Name 'H2A_1_193nuc_400 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
10 '2D 1H-15N TROSY' . . . 50438 19
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 19
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 GLY H H 1 8.5710 0.0000 . 1 . . . . . -1 GLY H . 50438 19
2 . 1 . 1 3 3 GLY N N 15 110.2260 0.0000 . 1 . . . . . -1 GLY N . 50438 19
3 . 1 . 1 4 4 MET H H 1 8.2710 0.0000 . 1 . . . . . 0 MET H . 50438 19
4 . 1 . 1 4 4 MET N N 15 120.5760 0.0000 . 1 . . . . . 0 MET N . 50438 19
5 . 1 . 1 5 5 SER H H 1 8.3960 0.0000 . 1 . . . . . 1 SER H . 50438 19
6 . 1 . 1 5 5 SER N N 15 117.5130 0.0000 . 1 . . . . . 1 SER N . 50438 19
7 . 1 . 1 6 6 GLY H H 1 8.4270 0.0000 . 1 . . . . . 2 GLY H . 50438 19
8 . 1 . 1 6 6 GLY N N 15 111.2920 0.0000 . 1 . . . . . 2 GLY N . 50438 19
9 . 1 . 1 7 7 ARG H H 1 8.1740 0.0000 . 1 . . . . . 3 ARG H . 50438 19
10 . 1 . 1 7 7 ARG N N 15 120.8610 0.0000 . 1 . . . . . 3 ARG N . 50438 19
11 . 1 . 1 8 8 GLY H H 1 8.4450 0.0000 . 1 . . . . . 4 GLY H . 50438 19
12 . 1 . 1 8 8 GLY N N 15 110.3090 0.0000 . 1 . . . . . 4 GLY N . 50438 19
13 . 1 . 1 9 9 LYS H H 1 8.2270 0.0000 . 1 . . . . . 5 LYS H . 50438 19
14 . 1 . 1 9 9 LYS N N 15 121.5510 0.0000 . 1 . . . . . 5 LYS N . 50438 19
15 . 1 . 1 10 10 GLN H H 1 8.5000 0.0000 . 1 . . . . . 6 GLN H . 50438 19
16 . 1 . 1 10 10 GLN N N 15 121.9340 0.0000 . 1 . . . . . 6 GLN N . 50438 19
17 . 1 . 1 11 11 GLY H H 1 8.3970 0.0000 . 1 . . . . . 7 GLY H . 50438 19
18 . 1 . 1 11 11 GLY N N 15 110.6070 0.0000 . 1 . . . . . 7 GLY N . 50438 19
19 . 1 . 1 12 12 GLY H H 1 8.2460 0.0000 . 1 . . . . . 8 GLY H . 50438 19
20 . 1 . 1 12 12 GLY N N 15 109.3430 0.0000 . 1 . . . . . 8 GLY N . 50438 19
21 . 1 . 1 124 124 THR H H 1 8.2620 0.0000 . 1 . . . . . 120 THR H . 50438 19
22 . 1 . 1 124 124 THR N N 15 116.9730 0.0000 . 1 . . . . . 120 THR N . 50438 19
23 . 1 . 1 125 125 GLU H H 1 8.5130 0.0000 . 1 . . . . . 121 GLU H . 50438 19
24 . 1 . 1 125 125 GLU N N 15 124.4410 0.0000 . 1 . . . . . 121 GLU N . 50438 19
25 . 1 . 1 126 126 SER H H 1 8.4110 0.0000 . 1 . . . . . 122 SER H . 50438 19
26 . 1 . 1 126 126 SER N N 15 117.9170 0.0000 . 1 . . . . . 122 SER N . 50438 19
27 . 1 . 1 127 127 HIS H H 1 8.6300 0.0000 . 1 . . . . . 123 HIS H . 50438 19
28 . 1 . 1 127 127 HIS N N 15 121.1850 0.0000 . 1 . . . . . 123 HIS N . 50438 19
29 . 1 . 1 128 128 HIS H H 1 8.5190 0.0000 . 1 . . . . . 124 HIS H . 50438 19
30 . 1 . 1 128 128 HIS N N 15 120.6000 0.0000 . 1 . . . . . 124 HIS N . 50438 19
31 . 1 . 1 129 129 LYS H H 1 8.4910 0.0000 . 1 . . . . . 125 LYS H . 50438 19
32 . 1 . 1 129 129 LYS N N 15 124.1400 0.0000 . 1 . . . . . 125 LYS N . 50438 19
33 . 1 . 1 130 130 ALA H H 1 8.4520 0.0000 . 1 . . . . . 126 ALA H . 50438 19
34 . 1 . 1 130 130 ALA N N 15 126.5560 0.0000 . 1 . . . . . 126 ALA N . 50438 19
35 . 1 . 1 131 131 LYS H H 1 8.4100 0.0000 . 1 . . . . . 127 LYS H . 50438 19
36 . 1 . 1 131 131 LYS N N 15 121.7390 0.0000 . 1 . . . . . 127 LYS N . 50438 19
37 . 1 . 1 132 132 GLY H H 1 8.4470 0.0000 . 1 . . . . . 128 GLY H . 50438 19
38 . 1 . 1 132 132 GLY N N 15 111.2940 0.0000 . 1 . . . . . 128 GLY N . 50438 19
39 . 1 . 1 133 133 LYS H H 1 7.8340 0.0000 . 1 . . . . . 129 LYS H . 50438 19
40 . 1 . 1 133 133 LYS N N 15 126.4200 0.0000 . 1 . . . . . 129 LYS N . 50438 19
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_20
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_20
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 20
_Assigned_chem_shift_list.Name 'H2A_2_193nuc_400 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
10 '2D 1H-15N TROSY' . . . 50438 20
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 20
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 8 8 GLY H H 1 8.4530 0.0000 . 1 . . . . . 4 GLY H . 50438 20
2 . 1 . 1 8 8 GLY N N 15 110.3500 0.0000 . 1 . . . . . 4 GLY N . 50438 20
3 . 1 . 1 11 11 GLY H H 1 8.4160 0.0000 . 1 . . . . . 7 GLY H . 50438 20
4 . 1 . 1 11 11 GLY N N 15 110.6810 0.0000 . 1 . . . . . 7 GLY N . 50438 20
5 . 1 . 1 133 133 LYS H H 1 7.8630 0.0000 . 1 . . . . . 129 LYS H . 50438 20
6 . 1 . 1 133 133 LYS N N 15 126.4780 0.0000 . 1 . . . . . 129 LYS N . 50438 20
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_21
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_21
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 21
_Assigned_chem_shift_list.Name 'H2B_193nuc_400 mM KCl'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
10 '2D 1H-15N TROSY' . . . 50438 21
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 21
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 3 3 GLY H H 1 8.5520 0.0000 . 1 . . . . . -1 GLY H . 50438 21
2 . 2 . 2 3 3 GLY N N 15 110.4310 0.0000 . 1 . . . . . -1 GLY N . 50438 21
3 . 2 . 2 4 4 MET H H 1 8.1190 0.0000 . 1 . . . . . 0 MET H . 50438 21
4 . 2 . 2 4 4 MET N N 15 121.5760 0.0000 . 1 . . . . . 0 MET N . 50438 21
5 . 2 . 2 6 6 GLU H H 1 8.4480 0.0000 . 1 . . . . . 2 GLU H . 50438 21
6 . 2 . 2 6 6 GLU N N 15 123.1110 0.0000 . 1 . . . . . 2 GLU N . 50438 21
7 . 2 . 2 8 8 ALA H H 1 8.3740 0.0000 . 1 . . . . . 4 ALA H . 50438 21
8 . 2 . 2 8 8 ALA N N 15 124.6060 0.0000 . 1 . . . . . 4 ALA N . 50438 21
9 . 2 . 2 9 9 LYS H H 1 8.2850 0.0000 . 1 . . . . . 5 LYS H . 50438 21
10 . 2 . 2 9 9 LYS N N 15 121.2480 0.0000 . 1 . . . . . 5 LYS N . 50438 21
11 . 2 . 2 10 10 SER H H 1 8.2270 0.0000 . 1 . . . . . 6 SER H . 50438 21
12 . 2 . 2 10 10 SER N N 15 117.5160 0.0000 . 1 . . . . . 6 SER N . 50438 21
13 . 2 . 2 11 11 ALA H H 1 8.2760 0.0000 . 1 . . . . . 7 ALA H . 50438 21
14 . 2 . 2 11 11 ALA N N 15 127.5700 0.0000 . 1 . . . . . 7 ALA N . 50438 21
15 . 2 . 2 13 13 ALA H H 1 8.3690 0.0000 . 1 . . . . . 9 ALA H . 50438 21
16 . 2 . 2 13 13 ALA N N 15 126.2570 0.0000 . 1 . . . . . 9 ALA N . 50438 21
17 . 2 . 2 15 15 LYS H H 1 8.4030 0.0000 . 1 . . . . . 11 LYS H . 50438 21
18 . 2 . 2 15 15 LYS N N 15 122.5270 0.0000 . 1 . . . . . 11 LYS N . 50438 21
19 . 2 . 2 16 16 LYS H H 1 8.4070 0.0000 . 1 . . . . . 12 LYS H . 50438 21
20 . 2 . 2 16 16 LYS N N 15 123.7730 0.0000 . 1 . . . . . 12 LYS N . 50438 21
21 . 2 . 2 17 17 GLY H H 1 8.4720 0.0000 . 1 . . . . . 13 GLY H . 50438 21
22 . 2 . 2 17 17 GLY N N 15 111.2590 0.0000 . 1 . . . . . 13 GLY N . 50438 21
23 . 2 . 2 18 18 SER H H 1 8.1680 0.0000 . 1 . . . . . 14 SER H . 50438 21
24 . 2 . 2 18 18 SER N N 15 116.2170 0.0000 . 1 . . . . . 14 SER N . 50438 21
25 . 2 . 2 19 19 LYS H H 1 8.4070 0.0000 . 1 . . . . . 15 LYS H . 50438 21
26 . 2 . 2 19 19 LYS N N 15 123.9820 0.0000 . 1 . . . . . 15 LYS N . 50438 21
27 . 2 . 2 20 20 LYS H H 1 8.2700 0.0000 . 1 . . . . . 16 LYS H . 50438 21
28 . 2 . 2 20 20 LYS N N 15 123.4000 0.0000 . 1 . . . . . 16 LYS N . 50438 21
29 . 2 . 2 21 21 ALA H H 1 8.3010 0.0000 . 1 . . . . . 17 ALA H . 50438 21
30 . 2 . 2 21 21 ALA N N 15 126.2880 0.0000 . 1 . . . . . 17 ALA N . 50438 21
31 . 2 . 2 22 22 VAL H H 1 8.1600 0.0000 . 1 . . . . . 18 VAL H . 50438 21
32 . 2 . 2 22 22 VAL N N 15 120.5190 0.0000 . 1 . . . . . 18 VAL N . 50438 21
33 . 2 . 2 23 23 THR H H 1 8.2140 0.0000 . 1 . . . . . 19 THR H . 50438 21
34 . 2 . 2 23 23 THR N N 15 119.1450 0.0000 . 1 . . . . . 19 THR N . 50438 21
35 . 2 . 2 24 24 LYS H H 1 8.3480 0.0000 . 1 . . . . . 20 LYS H . 50438 21
36 . 2 . 2 24 24 LYS N N 15 124.6160 0.0000 . 1 . . . . . 20 LYS N . 50438 21
37 . 2 . 2 25 25 ALA H H 1 8.2910 0.0000 . 1 . . . . . 21 ALA H . 50438 21
38 . 2 . 2 25 25 ALA N N 15 125.5480 0.0000 . 1 . . . . . 21 ALA N . 50438 21
39 . 2 . 2 26 26 GLN H H 1 8.2800 0.0000 . 1 . . . . . 22 GLN H . 50438 21
40 . 2 . 2 26 26 GLN N N 15 120.3470 0.0000 . 1 . . . . . 22 GLN N . 50438 21
41 . 2 . 2 27 27 LYS H H 1 8.3310 0.0000 . 1 . . . . . 23 LYS H . 50438 21
42 . 2 . 2 27 27 LYS N N 15 123.6390 0.0000 . 1 . . . . . 23 LYS N . 50438 21
43 . 2 . 2 28 28 LYS H H 1 8.4360 0.0000 . 1 . . . . . 24 LYS H . 50438 21
44 . 2 . 2 28 28 LYS N N 15 123.5720 0.0000 . 1 . . . . . 24 LYS N . 50438 21
45 . 2 . 2 29 29 ASP H H 1 8.3050 0.0000 . 1 . . . . . 25 ASP H . 50438 21
46 . 2 . 2 29 29 ASP N N 15 121.7940 0.0000 . 1 . . . . . 25 ASP N . 50438 21
47 . 2 . 2 30 30 GLY H H 1 8.2580 0.0000 . 1 . . . . . 26 GLY H . 50438 21
48 . 2 . 2 30 30 GLY N N 15 109.6340 0.0000 . 1 . . . . . 26 GLY N . 50438 21
49 . 2 . 2 31 31 LYS H H 1 8.1430 0.0000 . 1 . . . . . 27 LYS H . 50438 21
50 . 2 . 2 31 31 LYS N N 15 121.6370 0.0000 . 1 . . . . . 27 LYS N . 50438 21
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_22
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_22
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 22
_Assigned_chem_shift_list.Name H2A_1_278K
_Assigned_chem_shift_list.Sample_condition_list_ID 5
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_5
_Assigned_chem_shift_list.Chem_shift_reference_ID 2
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
11 '2D 1H-15N TROSY' . . . 50438 22
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 22
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 GLY H H 1 8.7240 0.0000 . 1 . . . . . -1 GLY H . 50438 22
2 . 1 . 1 3 3 GLY N N 15 110.3930 0.0000 . 1 . . . . . -1 GLY N . 50438 22
3 . 1 . 1 4 4 MET H H 1 8.4040 0.0000 . 1 . . . . . 0 MET H . 50438 22
4 . 1 . 1 4 4 MET N N 15 120.5600 0.0000 . 1 . . . . . 0 MET N . 50438 22
5 . 1 . 1 5 5 SER H H 1 8.5020 0.0000 . 1 . . . . . 1 SER H . 50438 22
6 . 1 . 1 5 5 SER N N 15 117.6610 0.0000 . 1 . . . . . 1 SER N . 50438 22
7 . 1 . 1 6 6 GLY H H 1 8.5930 0.0000 . 1 . . . . . 2 GLY H . 50438 22
8 . 1 . 1 6 6 GLY N N 15 111.5110 0.0000 . 1 . . . . . 2 GLY N . 50438 22
9 . 1 . 1 7 7 ARG H H 1 8.2320 0.0000 . 1 . . . . . 3 ARG H . 50438 22
10 . 1 . 1 7 7 ARG N N 15 120.7550 0.0000 . 1 . . . . . 3 ARG N . 50438 22
11 . 1 . 1 8 8 GLY H H 1 8.5830 0.0000 . 1 . . . . . 4 GLY H . 50438 22
12 . 1 . 1 8 8 GLY N N 15 110.3200 0.0000 . 1 . . . . . 4 GLY N . 50438 22
13 . 1 . 1 9 9 LYS H H 1 8.3010 0.0000 . 1 . . . . . 5 LYS H . 50438 22
14 . 1 . 1 9 9 LYS N N 15 121.5080 0.0000 . 1 . . . . . 5 LYS N . 50438 22
15 . 1 . 1 10 10 GLN H H 1 8.6540 0.0000 . 1 . . . . . 6 GLN H . 50438 22
16 . 1 . 1 10 10 GLN N N 15 122.1630 0.0000 . 1 . . . . . 6 GLN N . 50438 22
17 . 1 . 1 11 11 GLY H H 1 8.5340 0.0000 . 1 . . . . . 7 GLY H . 50438 22
18 . 1 . 1 11 11 GLY N N 15 110.6980 0.0000 . 1 . . . . . 7 GLY N . 50438 22
19 . 1 . 1 12 12 GLY H H 1 8.3990 0.0000 . 1 . . . . . 8 GLY H . 50438 22
20 . 1 . 1 12 12 GLY N N 15 109.4040 0.0000 . 1 . . . . . 8 GLY N . 50438 22
21 . 1 . 1 130 130 ALA H H 1 8.6130 0.0000 . 1 . . . . . 126 ALA H . 50438 22
22 . 1 . 1 130 130 ALA N N 15 126.8970 0.0000 . 1 . . . . . 126 ALA N . 50438 22
23 . 1 . 1 131 131 LYS H H 1 8.5860 0.0000 . 1 . . . . . 127 LYS H . 50438 22
24 . 1 . 1 131 131 LYS N N 15 122.1310 0.0000 . 1 . . . . . 127 LYS N . 50438 22
25 . 1 . 1 132 132 GLY H H 1 8.5720 0.0000 . 1 . . . . . 128 GLY H . 50438 22
26 . 1 . 1 132 132 GLY N N 15 111.4100 0.0000 . 1 . . . . . 128 GLY N . 50438 22
27 . 1 . 1 133 133 LYS H H 1 7.9560 0.0000 . 1 . . . . . 129 LYS H . 50438 22
28 . 1 . 1 133 133 LYS N N 15 126.4090 0.0000 . 1 . . . . . 129 LYS N . 50438 22
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_23
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_23
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 23
_Assigned_chem_shift_list.Name H2A_2_278K
_Assigned_chem_shift_list.Sample_condition_list_ID 5
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_5
_Assigned_chem_shift_list.Chem_shift_reference_ID 2
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
11 '2D 1H-15N TROSY' . . . 50438 23
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 23
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 6 6 GLY H H 1 8.6220 0.0000 . 1 . . . . . 2 GLY H . 50438 23
2 . 1 . 1 6 6 GLY N N 15 111.4360 0.0000 . 1 . . . . . 2 GLY N . 50438 23
3 . 1 . 1 7 7 ARG H H 1 8.2660 0.0000 . 1 . . . . . 3 ARG H . 50438 23
4 . 1 . 1 7 7 ARG N N 15 120.7630 0.0000 . 1 . . . . . 3 ARG N . 50438 23
5 . 1 . 1 8 8 GLY H H 1 8.6520 0.0000 . 1 . . . . . 4 GLY H . 50438 23
6 . 1 . 1 8 8 GLY N N 15 110.7490 0.0000 . 1 . . . . . 4 GLY N . 50438 23
7 . 1 . 1 9 9 LYS H H 1 8.3430 0.0000 . 1 . . . . . 5 LYS H . 50438 23
8 . 1 . 1 9 9 LYS N N 15 121.5120 0.0000 . 1 . . . . . 5 LYS N . 50438 23
9 . 1 . 1 10 10 GLN H H 1 8.6650 0.0000 . 1 . . . . . 6 GLN H . 50438 23
10 . 1 . 1 10 10 GLN N N 15 122.3220 0.0000 . 1 . . . . . 6 GLN N . 50438 23
11 . 1 . 1 11 11 GLY H H 1 8.5760 0.0000 . 1 . . . . . 7 GLY H . 50438 23
12 . 1 . 1 11 11 GLY N N 15 110.7760 0.0000 . 1 . . . . . 7 GLY N . 50438 23
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_24
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_24
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 24
_Assigned_chem_shift_list.Name H2B_1_278K
_Assigned_chem_shift_list.Sample_condition_list_ID 5
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_5
_Assigned_chem_shift_list.Chem_shift_reference_ID 2
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
11 '2D 1H-15N TROSY' . . . 50438 24
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 24
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 3 3 GLY H H 1 8.7030 0.0000 . 1 . . . . . -1 GLY H . 50438 24
2 . 2 . 2 3 3 GLY N N 15 110.7040 0.0000 . 1 . . . . . -1 GLY N . 50438 24
3 . 2 . 2 4 4 MET H H 1 8.2220 0.0000 . 1 . . . . . 0 MET H . 50438 24
4 . 2 . 2 4 4 MET N N 15 121.6360 0.0000 . 1 . . . . . 0 MET N . 50438 24
5 . 2 . 2 6 6 GLU H H 1 8.5850 0.0000 . 1 . . . . . 2 GLU H . 50438 24
6 . 2 . 2 6 6 GLU N N 15 123.3340 0.0000 . 1 . . . . . 2 GLU N . 50438 24
7 . 2 . 2 8 8 ALA H H 1 8.5070 0.0000 . 1 . . . . . 4 ALA H . 50438 24
8 . 2 . 2 8 8 ALA N N 15 124.8840 0.0000 . 1 . . . . . 4 ALA N . 50438 24
9 . 2 . 2 9 9 LYS H H 1 8.4360 0.0000 . 1 . . . . . 5 LYS H . 50438 24
10 . 2 . 2 9 9 LYS N N 15 121.7070 0.0000 . 1 . . . . . 5 LYS N . 50438 24
11 . 2 . 2 10 10 SER H H 1 8.4140 0.0000 . 1 . . . . . 6 SER H . 50438 24
12 . 2 . 2 10 10 SER N N 15 118.2500 0.0000 . 1 . . . . . 6 SER N . 50438 24
13 . 2 . 2 11 11 ALA H H 1 8.4410 0.0000 . 1 . . . . . 7 ALA H . 50438 24
14 . 2 . 2 11 11 ALA N N 15 127.6880 0.0000 . 1 . . . . . 7 ALA N . 50438 24
15 . 2 . 2 13 13 ALA H H 1 8.5450 0.0000 . 1 . . . . . 9 ALA H . 50438 24
16 . 2 . 2 13 13 ALA N N 15 126.5070 0.0000 . 1 . . . . . 9 ALA N . 50438 24
17 . 2 . 2 15 15 LYS H H 1 8.5620 0.0000 . 1 . . . . . 11 LYS H . 50438 24
18 . 2 . 2 15 15 LYS N N 15 122.9550 0.0000 . 1 . . . . . 11 LYS N . 50438 24
19 . 2 . 2 16 16 LYS H H 1 8.6140 0.0000 . 1 . . . . . 12 LYS H . 50438 24
20 . 2 . 2 16 16 LYS N N 15 124.2390 0.0000 . 1 . . . . . 12 LYS N . 50438 24
21 . 2 . 2 17 17 GLY H H 1 8.6460 0.0000 . 1 . . . . . 13 GLY H . 50438 24
22 . 2 . 2 17 17 GLY N N 15 111.4550 0.0000 . 1 . . . . . 13 GLY N . 50438 24
23 . 2 . 2 18 18 SER H H 1 8.2920 0.0000 . 1 . . . . . 14 SER H . 50438 24
24 . 2 . 2 18 18 SER N N 15 116.3480 0.0000 . 1 . . . . . 14 SER N . 50438 24
25 . 2 . 2 19 19 LYS H H 1 8.6230 0.0000 . 1 . . . . . 15 LYS H . 50438 24
26 . 2 . 2 19 19 LYS N N 15 124.3050 0.0000 . 1 . . . . . 15 LYS N . 50438 24
27 . 2 . 2 20 20 LYS H H 1 8.4460 0.0000 . 1 . . . . . 16 LYS H . 50438 24
28 . 2 . 2 20 20 LYS N N 15 123.4900 0.0000 . 1 . . . . . 16 LYS N . 50438 24
29 . 2 . 2 21 21 ALA H H 1 8.4540 0.0000 . 1 . . . . . 17 ALA H . 50438 24
30 . 2 . 2 21 21 ALA N N 15 126.3640 0.0000 . 1 . . . . . 17 ALA N . 50438 24
31 . 2 . 2 22 22 VAL H H 1 8.3260 0.0000 . 1 . . . . . 18 VAL H . 50438 24
32 . 2 . 2 22 22 VAL N N 15 121.0100 0.0000 . 1 . . . . . 18 VAL N . 50438 24
33 . 2 . 2 23 23 THR H H 1 8.3850 0.0000 . 1 . . . . . 19 THR H . 50438 24
34 . 2 . 2 23 23 THR N N 15 119.7980 0.0000 . 1 . . . . . 19 THR N . 50438 24
35 . 2 . 2 24 24 LYS H H 1 8.5260 0.0000 . 1 . . . . . 20 LYS H . 50438 24
36 . 2 . 2 24 24 LYS N N 15 125.0570 0.0000 . 1 . . . . . 20 LYS N . 50438 24
37 . 2 . 2 25 25 ALA H H 1 8.4440 0.0000 . 1 . . . . . 21 ALA H . 50438 24
38 . 2 . 2 25 25 ALA N N 15 125.6190 0.0000 . 1 . . . . . 21 ALA N . 50438 24
39 . 2 . 2 26 26 GLN H H 1 8.4380 0.0000 . 1 . . . . . 22 GLN H . 50438 24
40 . 2 . 2 26 26 GLN N N 15 120.6840 0.0000 . 1 . . . . . 22 GLN N . 50438 24
41 . 2 . 2 27 27 LYS H H 1 8.4910 0.0000 . 1 . . . . . 23 LYS H . 50438 24
42 . 2 . 2 27 27 LYS N N 15 124.0210 0.0000 . 1 . . . . . 23 LYS N . 50438 24
43 . 2 . 2 29 29 ASP H H 1 8.4550 0.0000 . 1 . . . . . 25 ASP H . 50438 24
44 . 2 . 2 29 29 ASP N N 15 121.8330 0.0000 . 1 . . . . . 25 ASP N . 50438 24
45 . 2 . 2 30 30 GLY H H 1 8.3650 0.0000 . 1 . . . . . 26 GLY H . 50438 24
46 . 2 . 2 30 30 GLY N N 15 109.5110 0.0000 . 1 . . . . . 26 GLY N . 50438 24
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_25
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_25
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 25
_Assigned_chem_shift_list.Name H2B_2_278K
_Assigned_chem_shift_list.Sample_condition_list_ID 5
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_5
_Assigned_chem_shift_list.Chem_shift_reference_ID 2
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
11 '2D 1H-15N TROSY' . . . 50438 25
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 25
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 10 10 SER H H 1 8.4370 0.0000 . 1 . . . . . 6 SER H . 50438 25
2 . 2 . 2 10 10 SER N N 15 118.3880 0.0000 . 1 . . . . . 6 SER N . 50438 25
3 . 2 . 2 21 21 ALA H H 1 8.4840 0.0000 . 1 . . . . . 17 ALA H . 50438 25
4 . 2 . 2 21 21 ALA N N 15 126.5190 0.0000 . 1 . . . . . 17 ALA N . 50438 25
5 . 2 . 2 22 22 VAL H H 1 8.3450 0.0000 . 1 . . . . . 18 VAL H . 50438 25
6 . 2 . 2 22 22 VAL N N 15 121.1270 0.0000 . 1 . . . . . 18 VAL N . 50438 25
7 . 2 . 2 23 23 THR H H 1 8.4080 0.0000 . 1 . . . . . 19 THR H . 50438 25
8 . 2 . 2 23 23 THR N N 15 120.1360 0.0000 . 1 . . . . . 19 THR N . 50438 25
9 . 2 . 2 25 25 ALA H H 1 8.4680 0.0000 . 1 . . . . . 21 ALA H . 50438 25
10 . 2 . 2 25 25 ALA N N 15 125.9430 0.0000 . 1 . . . . . 21 ALA N . 50438 25
11 . 2 . 2 26 26 GLN H H 1 8.4590 0.0000 . 1 . . . . . 22 GLN H . 50438 25
12 . 2 . 2 26 26 GLN N N 15 120.6730 0.0000 . 1 . . . . . 22 GLN N . 50438 25
13 . 2 . 2 27 27 LYS H H 1 8.5240 0.0000 . 1 . . . . . 23 LYS H . 50438 25
14 . 2 . 2 27 27 LYS N N 15 124.2440 0.0000 . 1 . . . . . 23 LYS N . 50438 25
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_26
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_26
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 26
_Assigned_chem_shift_list.Name H2A_1_283K
_Assigned_chem_shift_list.Sample_condition_list_ID 6
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_6
_Assigned_chem_shift_list.Chem_shift_reference_ID 3
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_3
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
12 '2D 1H-15N' . . . 50438 26
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 26
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 GLY H H 1 8.6890 0.0000 . 1 . . . . . -1 GLY H . 50438 26
2 . 1 . 1 3 3 GLY N N 15 110.3160 0.0000 . 1 . . . . . -1 GLY N . 50438 26
3 . 1 . 1 4 4 MET H H 1 8.3710 0.0000 . 1 . . . . . 0 MET H . 50438 26
4 . 1 . 1 4 4 MET N N 15 120.5340 0.0000 . 1 . . . . . 0 MET N . 50438 26
5 . 1 . 1 5 5 SER H H 1 8.4690 0.0000 . 1 . . . . . 1 SER H . 50438 26
6 . 1 . 1 5 5 SER N N 15 117.6030 0.0000 . 1 . . . . . 1 SER N . 50438 26
7 . 1 . 1 6 6 GLY H H 1 8.5530 0.0000 . 1 . . . . . 2 GLY H . 50438 26
8 . 1 . 1 6 6 GLY N N 15 111.4200 0.0000 . 1 . . . . . 2 GLY N . 50438 26
9 . 1 . 1 7 7 ARG H H 1 8.2050 0.0000 . 1 . . . . . 3 ARG H . 50438 26
10 . 1 . 1 7 7 ARG N N 15 120.7120 0.0000 . 1 . . . . . 3 ARG N . 50438 26
11 . 1 . 1 8 8 GLY H H 1 8.5510 0.0000 . 1 . . . . . 4 GLY H . 50438 26
12 . 1 . 1 8 8 GLY N N 15 110.2920 0.0000 . 1 . . . . . 4 GLY N . 50438 26
13 . 1 . 1 9 9 LYS H H 1 8.2700 0.0000 . 1 . . . . . 5 LYS H . 50438 26
14 . 1 . 1 9 9 LYS N N 15 121.4780 0.0000 . 1 . . . . . 5 LYS N . 50438 26
15 . 1 . 1 10 10 GLN H H 1 8.6170 0.0000 . 1 . . . . . 6 GLN H . 50438 26
16 . 1 . 1 10 10 GLN N N 15 122.1030 0.0000 . 1 . . . . . 6 GLN N . 50438 26
17 . 1 . 1 11 11 GLY H H 1 8.4980 0.0000 . 1 . . . . . 7 GLY H . 50438 26
18 . 1 . 1 11 11 GLY N N 15 110.6160 0.0000 . 1 . . . . . 7 GLY N . 50438 26
19 . 1 . 1 12 12 GLY H H 1 8.3700 0.0000 . 1 . . . . . 8 GLY H . 50438 26
20 . 1 . 1 12 12 GLY N N 15 109.3970 0.0000 . 1 . . . . . 8 GLY N . 50438 26
21 . 1 . 1 125 125 GLU H H 1 8.5920 0.0000 . 1 . . . . . 121 GLU H . 50438 26
22 . 1 . 1 125 125 GLU N N 15 124.2760 0.0000 . 1 . . . . . 121 GLU N . 50438 26
23 . 1 . 1 127 127 HIS H H 1 8.7650 0.0000 . 1 . . . . . 123 HIS H . 50438 26
24 . 1 . 1 127 127 HIS N N 15 121.1260 0.0000 . 1 . . . . . 123 HIS N . 50438 26
25 . 1 . 1 129 129 LYS H H 1 8.6350 0.0000 . 1 . . . . . 125 LYS H . 50438 26
26 . 1 . 1 129 129 LYS N N 15 124.5330 0.0000 . 1 . . . . . 125 LYS N . 50438 26
27 . 1 . 1 130 130 ALA H H 1 8.5720 0.0000 . 1 . . . . . 126 ALA H . 50438 26
28 . 1 . 1 130 130 ALA N N 15 126.8400 0.0000 . 1 . . . . . 126 ALA N . 50438 26
29 . 1 . 1 131 131 LYS H H 1 8.5480 0.0000 . 1 . . . . . 127 LYS H . 50438 26
30 . 1 . 1 131 131 LYS N N 15 122.0360 0.0000 . 1 . . . . . 127 LYS N . 50438 26
31 . 1 . 1 132 132 GLY H H 1 8.5430 0.0000 . 1 . . . . . 128 GLY H . 50438 26
32 . 1 . 1 132 132 GLY N N 15 111.3490 0.0000 . 1 . . . . . 128 GLY N . 50438 26
33 . 1 . 1 133 133 LYS H H 1 7.9180 0.0000 . 1 . . . . . 129 LYS H . 50438 26
34 . 1 . 1 133 133 LYS N N 15 126.3530 0.0000 . 1 . . . . . 129 LYS N . 50438 26
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_27
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_27
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 27
_Assigned_chem_shift_list.Name H2A_2_283K
_Assigned_chem_shift_list.Sample_condition_list_ID 6
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_6
_Assigned_chem_shift_list.Chem_shift_reference_ID 3
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_3
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
12 '2D 1H-15N' . . . 50438 27
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 27
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 6 6 GLY H H 1 8.5820 0.0000 . 1 . . . . . 2 GLY H . 50438 27
2 . 1 . 1 6 6 GLY N N 15 111.3480 0.0000 . 1 . . . . . 2 GLY N . 50438 27
3 . 1 . 1 7 7 ARG H H 1 8.2250 0.0000 . 1 . . . . . 3 ARG H . 50438 27
4 . 1 . 1 7 7 ARG N N 15 120.7690 0.0000 . 1 . . . . . 3 ARG N . 50438 27
5 . 1 . 1 8 8 GLY H H 1 8.6130 0.0000 . 1 . . . . . 4 GLY H . 50438 27
6 . 1 . 1 8 8 GLY N N 15 110.6710 0.0000 . 1 . . . . . 4 GLY N . 50438 27
7 . 1 . 1 9 9 LYS H H 1 8.3100 0.0000 . 1 . . . . . 5 LYS H . 50438 27
8 . 1 . 1 9 9 LYS N N 15 121.4350 0.0000 . 1 . . . . . 5 LYS N . 50438 27
9 . 1 . 1 10 10 GLN H H 1 8.6290 0.0000 . 1 . . . . . 6 GLN H . 50438 27
10 . 1 . 1 10 10 GLN N N 15 122.2760 0.0000 . 1 . . . . . 6 GLN N . 50438 27
11 . 1 . 1 11 11 GLY H H 1 8.5420 0.0000 . 1 . . . . . 7 GLY H . 50438 27
12 . 1 . 1 11 11 GLY N N 15 110.7230 0.0000 . 1 . . . . . 7 GLY N . 50438 27
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_28
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_28
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 28
_Assigned_chem_shift_list.Name H2B_1_283K
_Assigned_chem_shift_list.Sample_condition_list_ID 6
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_6
_Assigned_chem_shift_list.Chem_shift_reference_ID 3
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_3
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
12 '2D 1H-15N' . . . 50438 28
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 28
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 3 3 GLY H H 1 8.6660 0.0000 . 1 . . . . . -1 GLY H . 50438 28
2 . 2 . 2 3 3 GLY N N 15 110.6070 0.0000 . 1 . . . . . -1 GLY N . 50438 28
3 . 2 . 2 4 4 MET H H 1 8.1860 0.0000 . 1 . . . . . 0 MET H . 50438 28
4 . 2 . 2 4 4 MET N N 15 121.5860 0.0000 . 1 . . . . . 0 MET N . 50438 28
5 . 2 . 2 6 6 GLU H H 1 8.5390 0.0000 . 1 . . . . . 2 GLU H . 50438 28
6 . 2 . 2 6 6 GLU N N 15 123.2080 0.0000 . 1 . . . . . 2 GLU N . 50438 28
7 . 2 . 2 8 8 ALA H H 1 8.4640 0.0000 . 1 . . . . . 4 ALA H . 50438 28
8 . 2 . 2 8 8 ALA N N 15 124.7770 0.0000 . 1 . . . . . 4 ALA N . 50438 28
9 . 2 . 2 9 9 LYS H H 1 8.3870 0.0000 . 1 . . . . . 5 LYS H . 50438 28
10 . 2 . 2 9 9 LYS N N 15 121.5540 0.0000 . 1 . . . . . 5 LYS N . 50438 28
11 . 2 . 2 10 10 SER H H 1 8.3700 0.0000 . 1 . . . . . 6 SER H . 50438 28
12 . 2 . 2 10 10 SER N N 15 118.0990 0.0000 . 1 . . . . . 6 SER N . 50438 28
13 . 2 . 2 11 11 ALA H H 1 8.3940 0.0000 . 1 . . . . . 7 ALA H . 50438 28
14 . 2 . 2 11 11 ALA N N 15 127.6110 0.0000 . 1 . . . . . 7 ALA N . 50438 28
15 . 2 . 2 13 13 ALA H H 1 8.4980 0.0000 . 1 . . . . . 9 ALA H . 50438 28
16 . 2 . 2 13 13 ALA N N 15 126.4040 0.0000 . 1 . . . . . 9 ALA N . 50438 28
17 . 2 . 2 15 15 LYS H H 1 8.5200 0.0000 . 1 . . . . . 11 LYS H . 50438 28
18 . 2 . 2 15 15 LYS N N 15 122.8490 0.0000 . 1 . . . . . 11 LYS N . 50438 28
19 . 2 . 2 16 16 LYS H H 1 8.5660 0.0000 . 1 . . . . . 12 LYS H . 50438 28
20 . 2 . 2 16 16 LYS N N 15 124.0620 0.0000 . 1 . . . . . 12 LYS N . 50438 28
21 . 2 . 2 17 17 GLY H H 1 8.6050 0.0000 . 1 . . . . . 13 GLY H . 50438 28
22 . 2 . 2 17 17 GLY N N 15 111.3600 0.0000 . 1 . . . . . 13 GLY N . 50438 28
23 . 2 . 2 18 18 SER H H 1 8.2700 0.0000 . 1 . . . . . 14 SER H . 50438 28
24 . 2 . 2 18 18 SER N N 15 116.3130 0.0000 . 1 . . . . . 14 SER N . 50438 28
25 . 2 . 2 19 19 LYS H H 1 8.5810 0.0000 . 1 . . . . . 15 LYS H . 50438 28
26 . 2 . 2 19 19 LYS N N 15 124.1660 0.0000 . 1 . . . . . 15 LYS N . 50438 28
27 . 2 . 2 20 20 LYS H H 1 8.4090 0.0000 . 1 . . . . . 16 LYS H . 50438 28
28 . 2 . 2 20 20 LYS N N 15 123.3610 0.0000 . 1 . . . . . 16 LYS N . 50438 28
29 . 2 . 2 21 21 ALA H H 1 8.4100 0.0000 . 1 . . . . . 17 ALA H . 50438 28
30 . 2 . 2 21 21 ALA N N 15 126.2370 0.0000 . 1 . . . . . 17 ALA N . 50438 28
31 . 2 . 2 22 22 VAL H H 1 8.2700 0.0000 . 1 . . . . . 18 VAL H . 50438 28
32 . 2 . 2 22 22 VAL N N 15 120.7590 0.0000 . 1 . . . . . 18 VAL N . 50438 28
33 . 2 . 2 23 23 THR H H 1 8.3330 0.0000 . 1 . . . . . 19 THR H . 50438 28
34 . 2 . 2 23 23 THR N N 15 119.5600 0.0000 . 1 . . . . . 19 THR N . 50438 28
35 . 2 . 2 24 24 LYS H H 1 8.4800 0.0000 . 1 . . . . . 20 LYS H . 50438 28
36 . 2 . 2 24 24 LYS N N 15 124.9290 0.0000 . 1 . . . . . 20 LYS N . 50438 28
37 . 2 . 2 25 25 ALA H H 1 8.4000 0.0000 . 1 . . . . . 21 ALA H . 50438 28
38 . 2 . 2 25 25 ALA N N 15 125.5550 0.0000 . 1 . . . . . 21 ALA N . 50438 28
39 . 2 . 2 26 26 GLN H H 1 8.4040 0.0000 . 1 . . . . . 22 GLN H . 50438 28
40 . 2 . 2 26 26 GLN N N 15 120.5350 0.0000 . 1 . . . . . 22 GLN N . 50438 28
41 . 2 . 2 27 27 LYS H H 1 8.4450 0.0000 . 1 . . . . . 23 LYS H . 50438 28
42 . 2 . 2 27 27 LYS N N 15 123.8440 0.0000 . 1 . . . . . 23 LYS N . 50438 28
43 . 2 . 2 28 28 LYS H H 1 8.5730 0.0000 . 1 . . . . . 24 LYS H . 50438 28
44 . 2 . 2 28 28 LYS N N 15 123.7620 0.0000 . 1 . . . . . 24 LYS N . 50438 28
45 . 2 . 2 29 29 ASP H H 1 8.4030 0.0000 . 1 . . . . . 25 ASP H . 50438 28
46 . 2 . 2 29 29 ASP N N 15 121.7110 0.0000 . 1 . . . . . 25 ASP N . 50438 28
47 . 2 . 2 30 30 GLY H H 1 8.3310 0.0000 . 1 . . . . . 26 GLY H . 50438 28
48 . 2 . 2 30 30 GLY N N 15 109.4610 0.0000 . 1 . . . . . 26 GLY N . 50438 28
49 . 2 . 2 31 31 LYS H H 1 8.1460 0.0000 . 1 . . . . . 27 LYS H . 50438 28
50 . 2 . 2 31 31 LYS N N 15 121.6260 0.0000 . 1 . . . . . 27 LYS N . 50438 28
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_29
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_29
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 29
_Assigned_chem_shift_list.Name H2B_2_283K
_Assigned_chem_shift_list.Sample_condition_list_ID 6
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_6
_Assigned_chem_shift_list.Chem_shift_reference_ID 3
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_3
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
12 '2D 1H-15N' . . . 50438 29
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 29
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 10 10 SER H H 1 8.3920 0.0000 . 1 . . . . . 6 SER H . 50438 29
2 . 2 . 2 10 10 SER N N 15 118.2330 0.0000 . 1 . . . . . 6 SER N . 50438 29
3 . 2 . 2 21 21 ALA H H 1 8.4350 0.0000 . 1 . . . . . 17 ALA H . 50438 29
4 . 2 . 2 21 21 ALA N N 15 126.3790 0.0000 . 1 . . . . . 17 ALA N . 50438 29
5 . 2 . 2 22 22 VAL H H 1 8.2870 0.0000 . 1 . . . . . 18 VAL H . 50438 29
6 . 2 . 2 22 22 VAL N N 15 120.8720 0.0000 . 1 . . . . . 18 VAL N . 50438 29
7 . 2 . 2 23 23 THR H H 1 8.3450 0.0000 . 1 . . . . . 19 THR H . 50438 29
8 . 2 . 2 23 23 THR N N 15 119.8280 0.0000 . 1 . . . . . 19 THR N . 50438 29
9 . 2 . 2 24 24 LYS H H 1 8.5070 0.0000 . 1 . . . . . 20 LYS H . 50438 29
10 . 2 . 2 24 24 LYS N N 15 125.1710 0.0000 . 1 . . . . . 20 LYS N . 50438 29
11 . 2 . 2 25 25 ALA H H 1 8.4310 0.0000 . 1 . . . . . 21 ALA H . 50438 29
12 . 2 . 2 25 25 ALA N N 15 125.7570 0.0000 . 1 . . . . . 21 ALA N . 50438 29
13 . 2 . 2 26 26 GLN H H 1 8.4210 0.0000 . 1 . . . . . 22 GLN H . 50438 29
14 . 2 . 2 26 26 GLN N N 15 120.5900 0.0000 . 1 . . . . . 22 GLN N . 50438 29
15 . 2 . 2 27 27 LYS H H 1 8.4810 0.0000 . 1 . . . . . 23 LYS H . 50438 29
16 . 2 . 2 27 27 LYS N N 15 124.0200 0.0000 . 1 . . . . . 23 LYS N . 50438 29
17 . 2 . 2 28 28 LYS H H 1 8.6190 0.0000 . 1 . . . . . 24 LYS H . 50438 29
18 . 2 . 2 28 28 LYS N N 15 123.9400 0.0000 . 1 . . . . . 24 LYS N . 50438 29
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_30
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_30
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 30
_Assigned_chem_shift_list.Name H2A_1_288K
_Assigned_chem_shift_list.Sample_condition_list_ID 7
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_7
_Assigned_chem_shift_list.Chem_shift_reference_ID 4
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_4
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
13 '2D 1H-15N' . . . 50438 30
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 30
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 GLY H H 1 8.6540 0.0000 . 1 . . . . . -1 GLY H . 50438 30
2 . 1 . 1 3 3 GLY N N 15 110.2400 0.0000 . 1 . . . . . -1 GLY N . 50438 30
3 . 1 . 1 4 4 MET H H 1 8.3360 0.0000 . 1 . . . . . 0 MET H . 50438 30
4 . 1 . 1 4 4 MET N N 15 120.4900 0.0000 . 1 . . . . . 0 MET N . 50438 30
5 . 1 . 1 5 5 SER H H 1 8.4280 0.0000 . 1 . . . . . 1 SER H . 50438 30
6 . 1 . 1 5 5 SER N N 15 117.4860 0.0000 . 1 . . . . . 1 SER N . 50438 30
7 . 1 . 1 6 6 GLY H H 1 8.5120 0.0000 . 1 . . . . . 2 GLY H . 50438 30
8 . 1 . 1 6 6 GLY N N 15 111.3090 0.0000 . 1 . . . . . 2 GLY N . 50438 30
9 . 1 . 1 7 7 ARG H H 1 8.1770 0.0000 . 1 . . . . . 3 ARG H . 50438 30
10 . 1 . 1 7 7 ARG N N 15 120.6950 0.0000 . 1 . . . . . 3 ARG N . 50438 30
11 . 1 . 1 8 8 GLY H H 1 8.5170 0.0000 . 1 . . . . . 4 GLY H . 50438 30
12 . 1 . 1 8 8 GLY N N 15 110.2450 0.0000 . 1 . . . . . 4 GLY N . 50438 30
13 . 1 . 1 9 9 LYS H H 1 8.2330 0.0000 . 1 . . . . . 5 LYS H . 50438 30
14 . 1 . 1 9 9 LYS N N 15 121.4530 0.0000 . 1 . . . . . 5 LYS N . 50438 30
15 . 1 . 1 10 10 GLN H H 1 8.5760 0.0000 . 1 . . . . . 6 GLN H . 50438 30
16 . 1 . 1 10 10 GLN N N 15 121.9970 0.0000 . 1 . . . . . 6 GLN N . 50438 30
17 . 1 . 1 11 11 GLY H H 1 8.4600 0.0000 . 1 . . . . . 7 GLY H . 50438 30
18 . 1 . 1 11 11 GLY N N 15 110.5400 0.0000 . 1 . . . . . 7 GLY N . 50438 30
19 . 1 . 1 12 12 GLY H H 1 8.3410 0.0000 . 1 . . . . . 8 GLY H . 50438 30
20 . 1 . 1 12 12 GLY N N 15 109.3630 0.0000 . 1 . . . . . 8 GLY N . 50438 30
21 . 1 . 1 125 125 GLU H H 1 8.5630 0.0000 . 1 . . . . . 121 GLU H . 50438 30
22 . 1 . 1 125 125 GLU N N 15 124.2860 0.0000 . 1 . . . . . 121 GLU N . 50438 30
23 . 1 . 1 126 126 SER H H 1 8.4670 0.0000 . 1 . . . . . 122 SER H . 50438 30
24 . 1 . 1 126 126 SER N N 15 118.1300 0.0000 . 1 . . . . . 122 SER N . 50438 30
25 . 1 . 1 127 127 HIS H H 1 8.7200 0.0000 . 1 . . . . . 123 HIS H . 50438 30
26 . 1 . 1 127 127 HIS N N 15 121.0430 0.0000 . 1 . . . . . 123 HIS N . 50438 30
27 . 1 . 1 128 128 HIS H H 1 8.6190 0.0000 . 1 . . . . . 124 HIS H . 50438 30
28 . 1 . 1 128 128 HIS N N 15 120.5170 0.0000 . 1 . . . . . 124 HIS N . 50438 30
29 . 1 . 1 129 129 LYS H H 1 8.5930 0.0000 . 1 . . . . . 125 LYS H . 50438 30
30 . 1 . 1 129 129 LYS N N 15 124.3750 0.0000 . 1 . . . . . 125 LYS N . 50438 30
31 . 1 . 1 130 130 ALA H H 1 8.5280 0.0000 . 1 . . . . . 126 ALA H . 50438 30
32 . 1 . 1 130 130 ALA N N 15 126.7120 0.0000 . 1 . . . . . 126 ALA N . 50438 30
33 . 1 . 1 131 131 LYS H H 1 8.5050 0.0000 . 1 . . . . . 127 LYS H . 50438 30
34 . 1 . 1 131 131 LYS N N 15 121.8870 0.0000 . 1 . . . . . 127 LYS N . 50438 30
35 . 1 . 1 132 132 GLY H H 1 8.5090 0.0000 . 1 . . . . . 128 GLY H . 50438 30
36 . 1 . 1 132 132 GLY N N 15 111.2780 0.0000 . 1 . . . . . 128 GLY N . 50438 30
37 . 1 . 1 133 133 LYS H H 1 7.8770 0.0000 . 1 . . . . . 129 LYS H . 50438 30
38 . 1 . 1 133 133 LYS N N 15 126.3000 0.0000 . 1 . . . . . 129 LYS N . 50438 30
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_31
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_31
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 31
_Assigned_chem_shift_list.Name H2A_2_288K
_Assigned_chem_shift_list.Sample_condition_list_ID 7
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_7
_Assigned_chem_shift_list.Chem_shift_reference_ID 4
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_4
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
13 '2D 1H-15N' . . . 50438 31
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 31
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 6 6 GLY H H 1 8.5460 0.0000 . 1 . . . . . 2 GLY H . 50438 31
2 . 1 . 1 6 6 GLY N N 15 111.3000 0.0000 . 1 . . . . . 2 GLY N . 50438 31
3 . 1 . 1 7 7 ARG H H 1 8.2020 0.0000 . 1 . . . . . 3 ARG H . 50438 31
4 . 1 . 1 7 7 ARG N N 15 120.7400 0.0000 . 1 . . . . . 3 ARG N . 50438 31
5 . 1 . 1 8 8 GLY H H 1 8.5740 0.0000 . 1 . . . . . 4 GLY H . 50438 31
6 . 1 . 1 8 8 GLY N N 15 110.5360 0.0000 . 1 . . . . . 4 GLY N . 50438 31
7 . 1 . 1 9 9 LYS H H 1 8.2750 0.0000 . 1 . . . . . 5 LYS H . 50438 31
8 . 1 . 1 9 9 LYS N N 15 121.3940 0.0000 . 1 . . . . . 5 LYS N . 50438 31
9 . 1 . 1 10 10 GLN H H 1 8.5900 0.0000 . 1 . . . . . 6 GLN H . 50438 31
10 . 1 . 1 10 10 GLN N N 15 122.2600 0.0000 . 1 . . . . . 6 GLN N . 50438 31
11 . 1 . 1 11 11 GLY H H 1 8.5040 0.0000 . 1 . . . . . 7 GLY H . 50438 31
12 . 1 . 1 11 11 GLY N N 15 110.6290 0.0000 . 1 . . . . . 7 GLY N . 50438 31
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_32
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_32
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 32
_Assigned_chem_shift_list.Name H2B_1_288K
_Assigned_chem_shift_list.Sample_condition_list_ID 7
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_7
_Assigned_chem_shift_list.Chem_shift_reference_ID 4
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_4
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
13 '2D 1H-15N' . . . 50438 32
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 32
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 3 3 GLY H H 1 8.6250 0.0000 . 1 . . . . . -1 GLY H . 50438 32
2 . 2 . 2 3 3 GLY N N 15 110.5280 0.0000 . 1 . . . . . -1 GLY N . 50438 32
3 . 2 . 2 4 4 MET H H 1 8.1480 0.0000 . 1 . . . . . 0 MET H . 50438 32
4 . 2 . 2 4 4 MET N N 15 121.5090 0.0000 . 1 . . . . . 0 MET N . 50438 32
5 . 2 . 2 6 6 GLU H H 1 8.4910 0.0000 . 1 . . . . . 2 GLU H . 50438 32
6 . 2 . 2 6 6 GLU N N 15 123.1170 0.0000 . 1 . . . . . 2 GLU N . 50438 32
7 . 2 . 2 8 8 ALA H H 1 8.4200 0.0000 . 1 . . . . . 4 ALA H . 50438 32
8 . 2 . 2 8 8 ALA N N 15 124.6560 0.0000 . 1 . . . . . 4 ALA N . 50438 32
9 . 2 . 2 9 9 LYS H H 1 8.3380 0.0000 . 1 . . . . . 5 LYS H . 50438 32
10 . 2 . 2 9 9 LYS N N 15 121.4020 0.0000 . 1 . . . . . 5 LYS N . 50438 32
11 . 2 . 2 10 10 SER H H 1 8.3220 0.0000 . 1 . . . . . 6 SER H . 50438 32
12 . 2 . 2 10 10 SER N N 15 117.9540 0.0000 . 1 . . . . . 6 SER N . 50438 32
13 . 2 . 2 11 11 ALA H H 1 8.3450 0.0000 . 1 . . . . . 7 ALA H . 50438 32
14 . 2 . 2 11 11 ALA N N 15 127.5440 0.0000 . 1 . . . . . 7 ALA N . 50438 32
15 . 2 . 2 13 13 ALA H H 1 8.4500 0.0000 . 1 . . . . . 9 ALA H . 50438 32
16 . 2 . 2 13 13 ALA N N 15 126.2990 0.0000 . 1 . . . . . 9 ALA N . 50438 32
17 . 2 . 2 15 15 LYS H H 1 8.4770 0.0000 . 1 . . . . . 11 LYS H . 50438 32
18 . 2 . 2 15 15 LYS N N 15 122.7240 0.0000 . 1 . . . . . 11 LYS N . 50438 32
19 . 2 . 2 16 16 LYS H H 1 8.5200 0.0000 . 1 . . . . . 12 LYS H . 50438 32
20 . 2 . 2 16 16 LYS N N 15 123.9010 0.0000 . 1 . . . . . 12 LYS N . 50438 32
21 . 2 . 2 17 17 GLY H H 1 8.5660 0.0000 . 1 . . . . . 13 GLY H . 50438 32
22 . 2 . 2 17 17 GLY N N 15 111.2190 0.0000 . 1 . . . . . 13 GLY N . 50438 32
23 . 2 . 2 18 18 SER H H 1 8.2380 0.0000 . 1 . . . . . 14 SER H . 50438 32
24 . 2 . 2 18 18 SER N N 15 116.2360 0.0000 . 1 . . . . . 14 SER N . 50438 32
25 . 2 . 2 19 19 LYS H H 1 8.5490 0.0000 . 1 . . . . . 15 LYS H . 50438 32
26 . 2 . 2 19 19 LYS N N 15 124.1250 0.0000 . 1 . . . . . 15 LYS N . 50438 32
27 . 2 . 2 20 20 LYS H H 1 8.3750 0.0000 . 1 . . . . . 16 LYS H . 50438 32
28 . 2 . 2 20 20 LYS N N 15 123.2100 0.0000 . 1 . . . . . 16 LYS N . 50438 32
29 . 2 . 2 21 21 ALA H H 1 8.3750 0.0000 . 1 . . . . . 17 ALA H . 50438 32
30 . 2 . 2 21 21 ALA N N 15 126.1050 0.0000 . 1 . . . . . 17 ALA N . 50438 32
31 . 2 . 2 22 22 VAL H H 1 8.2220 0.0000 . 1 . . . . . 18 VAL H . 50438 32
32 . 2 . 2 22 22 VAL N N 15 120.5900 0.0000 . 1 . . . . . 18 VAL N . 50438 32
33 . 2 . 2 23 23 THR H H 1 8.2890 0.0000 . 1 . . . . . 19 THR H . 50438 32
34 . 2 . 2 23 23 THR N N 15 119.2910 0.0000 . 1 . . . . . 19 THR N . 50438 32
35 . 2 . 2 24 24 LYS H H 1 8.4380 0.0000 . 1 . . . . . 20 LYS H . 50438 32
36 . 2 . 2 24 24 LYS N N 15 124.8240 0.0000 . 1 . . . . . 20 LYS N . 50438 32
37 . 2 . 2 25 25 ALA H H 1 8.3490 0.0000 . 1 . . . . . 21 ALA H . 50438 32
38 . 2 . 2 25 25 ALA N N 15 125.4140 0.0000 . 1 . . . . . 21 ALA N . 50438 32
39 . 2 . 2 26 26 GLN H H 1 8.3680 0.0000 . 1 . . . . . 22 GLN H . 50438 32
40 . 2 . 2 26 26 GLN N N 15 120.3800 0.0000 . 1 . . . . . 22 GLN N . 50438 32
41 . 2 . 2 27 27 LYS H H 1 8.4140 0.0000 . 1 . . . . . 23 LYS H . 50438 32
42 . 2 . 2 27 27 LYS N N 15 123.7180 0.0000 . 1 . . . . . 23 LYS N . 50438 32
43 . 2 . 2 28 28 LYS H H 1 8.5320 0.0000 . 1 . . . . . 24 LYS H . 50438 32
44 . 2 . 2 28 28 LYS N N 15 123.6610 0.0000 . 1 . . . . . 24 LYS N . 50438 32
45 . 2 . 2 29 29 ASP H H 1 8.3530 0.0000 . 1 . . . . . 25 ASP H . 50438 32
46 . 2 . 2 29 29 ASP N N 15 121.5530 0.0000 . 1 . . . . . 25 ASP N . 50438 32
47 . 2 . 2 30 30 GLY H H 1 8.2970 0.0000 . 1 . . . . . 26 GLY H . 50438 32
48 . 2 . 2 30 30 GLY N N 15 109.4290 0.0000 . 1 . . . . . 26 GLY N . 50438 32
49 . 2 . 2 31 31 LYS H H 1 8.1040 0.0000 . 1 . . . . . 27 LYS H . 50438 32
50 . 2 . 2 31 31 LYS N N 15 121.4850 0.0000 . 1 . . . . . 27 LYS N . 50438 32
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_33
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_33
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 33
_Assigned_chem_shift_list.Name H2B_2_288K
_Assigned_chem_shift_list.Sample_condition_list_ID 7
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_7
_Assigned_chem_shift_list.Chem_shift_reference_ID 4
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_4
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
13 '2D 1H-15N' . . . 50438 33
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 33
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 10 10 SER H H 1 8.3480 0.0000 . 1 . . . . . 6 SER H . 50438 33
2 . 2 . 2 10 10 SER N N 15 118.1030 0.0000 . 1 . . . . . 6 SER N . 50438 33
3 . 2 . 2 21 21 ALA H H 1 8.3930 0.0000 . 1 . . . . . 17 ALA H . 50438 33
4 . 2 . 2 21 21 ALA N N 15 126.2290 0.0000 . 1 . . . . . 17 ALA N . 50438 33
5 . 2 . 2 22 22 VAL H H 1 8.2420 0.0000 . 1 . . . . . 18 VAL H . 50438 33
6 . 2 . 2 22 22 VAL N N 15 120.6900 0.0000 . 1 . . . . . 18 VAL N . 50438 33
7 . 2 . 2 23 23 THR H H 1 8.3090 0.0000 . 1 . . . . . 19 THR H . 50438 33
8 . 2 . 2 23 23 THR N N 15 119.5380 0.0000 . 1 . . . . . 19 THR N . 50438 33
9 . 2 . 2 24 24 LYS H H 1 8.4650 0.0000 . 1 . . . . . 20 LYS H . 50438 33
10 . 2 . 2 24 24 LYS N N 15 125.0240 0.0000 . 1 . . . . . 20 LYS N . 50438 33
11 . 2 . 2 25 25 ALA H H 1 8.3880 0.0000 . 1 . . . . . 21 ALA H . 50438 33
12 . 2 . 2 25 25 ALA N N 15 125.6710 0.0000 . 1 . . . . . 21 ALA N . 50438 33
13 . 2 . 2 26 26 GLN H H 1 8.3810 0.0000 . 1 . . . . . 22 GLN H . 50438 33
14 . 2 . 2 26 26 GLN N N 15 120.5090 0.0000 . 1 . . . . . 22 GLN N . 50438 33
15 . 2 . 2 27 27 LYS H H 1 8.4430 0.0000 . 1 . . . . . 23 LYS H . 50438 33
16 . 2 . 2 27 27 LYS N N 15 123.9030 0.0000 . 1 . . . . . 23 LYS N . 50438 33
17 . 2 . 2 28 28 LYS H H 1 8.5690 0.0000 . 1 . . . . . 24 LYS H . 50438 33
18 . 2 . 2 28 28 LYS N N 15 123.8260 0.0000 . 1 . . . . . 24 LYS N . 50438 33
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_34
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_34
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 34
_Assigned_chem_shift_list.Name H2A_1_293K
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 5
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_5
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
14 '2D 1H-15N' . . . 50438 34
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 34
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 GLY H H 1 8.6210 0.0000 . 1 . . . . . -1 GLY H . 50438 34
2 . 1 . 1 3 3 GLY N N 15 110.1890 0.0000 . 1 . . . . . -1 GLY N . 50438 34
3 . 1 . 1 4 4 MET H H 1 8.3010 0.0000 . 1 . . . . . 0 MET H . 50438 34
4 . 1 . 1 4 4 MET N N 15 120.4680 0.0000 . 1 . . . . . 0 MET N . 50438 34
5 . 1 . 1 5 5 SER H H 1 8.3940 0.0000 . 1 . . . . . 1 SER H . 50438 34
6 . 1 . 1 5 5 SER N N 15 117.3900 0.0000 . 1 . . . . . 1 SER N . 50438 34
7 . 1 . 1 6 6 GLY H H 1 8.4740 0.0000 . 1 . . . . . 2 GLY H . 50438 34
8 . 1 . 1 6 6 GLY N N 15 111.2360 0.0000 . 1 . . . . . 2 GLY N . 50438 34
9 . 1 . 1 7 7 ARG H H 1 8.1530 0.0000 . 1 . . . . . 3 ARG H . 50438 34
10 . 1 . 1 7 7 ARG N N 15 120.6640 0.0000 . 1 . . . . . 3 ARG N . 50438 34
11 . 1 . 1 8 8 GLY H H 1 8.4880 0.0000 . 1 . . . . . 4 GLY H . 50438 34
12 . 1 . 1 8 8 GLY N N 15 110.1840 0.0000 . 1 . . . . . 4 GLY N . 50438 34
13 . 1 . 1 9 9 LYS H H 1 8.2040 0.0000 . 1 . . . . . 5 LYS H . 50438 34
14 . 1 . 1 9 9 LYS N N 15 121.4090 0.0000 . 1 . . . . . 5 LYS N . 50438 34
15 . 1 . 1 10 10 GLN H H 1 8.5360 0.0000 . 1 . . . . . 6 GLN H . 50438 34
16 . 1 . 1 10 10 GLN N N 15 121.9210 0.0000 . 1 . . . . . 6 GLN N . 50438 34
17 . 1 . 1 11 11 GLY H H 1 8.4270 0.0000 . 1 . . . . . 7 GLY H . 50438 34
18 . 1 . 1 11 11 GLY N N 15 110.4840 0.0000 . 1 . . . . . 7 GLY N . 50438 34
19 . 1 . 1 12 12 GLY H H 1 8.3120 0.0000 . 1 . . . . . 8 GLY H . 50438 34
20 . 1 . 1 12 12 GLY N N 15 109.3200 0.0000 . 1 . . . . . 8 GLY N . 50438 34
21 . 1 . 1 124 124 THR H H 1 8.2700 0.0000 . 1 . . . . . 120 THR H . 50438 34
22 . 1 . 1 124 124 THR N N 15 117.3100 0.0000 . 1 . . . . . 120 THR N . 50438 34
23 . 1 . 1 125 125 GLU H H 1 8.5250 0.0000 . 1 . . . . . 121 GLU H . 50438 34
24 . 1 . 1 125 125 GLU N N 15 124.2480 0.0000 . 1 . . . . . 121 GLU N . 50438 34
25 . 1 . 1 126 126 SER H H 1 8.4210 0.0000 . 1 . . . . . 122 SER H . 50438 34
26 . 1 . 1 126 126 SER N N 15 118.0230 0.0000 . 1 . . . . . 122 SER N . 50438 34
27 . 1 . 1 127 127 HIS H H 1 8.6830 0.0000 . 1 . . . . . 123 HIS H . 50438 34
28 . 1 . 1 127 127 HIS N N 15 120.9700 0.0000 . 1 . . . . . 123 HIS N . 50438 34
29 . 1 . 1 128 128 HIS H H 1 8.5840 0.0000 . 1 . . . . . 124 HIS H . 50438 34
30 . 1 . 1 128 128 HIS N N 15 120.3800 0.0000 . 1 . . . . . 124 HIS N . 50438 34
31 . 1 . 1 129 129 LYS H H 1 8.5570 0.0000 . 1 . . . . . 125 LYS H . 50438 34
32 . 1 . 1 129 129 LYS N N 15 124.3000 0.0000 . 1 . . . . . 125 LYS N . 50438 34
33 . 1 . 1 130 130 ALA H H 1 8.4890 0.0000 . 1 . . . . . 126 ALA H . 50438 34
34 . 1 . 1 130 130 ALA N N 15 126.6180 0.0000 . 1 . . . . . 126 ALA N . 50438 34
35 . 1 . 1 131 131 LYS H H 1 8.4600 0.0000 . 1 . . . . . 127 LYS H . 50438 34
36 . 1 . 1 131 131 LYS N N 15 121.7760 0.0000 . 1 . . . . . 127 LYS N . 50438 34
37 . 1 . 1 132 132 GLY H H 1 8.4720 0.0000 . 1 . . . . . 128 GLY H . 50438 34
38 . 1 . 1 132 132 GLY N N 15 111.2050 0.0000 . 1 . . . . . 128 GLY N . 50438 34
39 . 1 . 1 133 133 LYS H H 1 7.8420 0.0000 . 1 . . . . . 129 LYS H . 50438 34
40 . 1 . 1 133 133 LYS N N 15 126.2530 0.0000 . 1 . . . . . 129 LYS N . 50438 34
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_35
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_35
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 35
_Assigned_chem_shift_list.Name H2A_2_293K
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 5
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_5
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
14 '2D 1H-15N' . . . 50438 35
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 35
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 6 6 GLY H H 1 8.5110 0.0000 . 1 . . . . . 2 GLY H . 50438 35
2 . 1 . 1 6 6 GLY N N 15 111.2510 0.0000 . 1 . . . . . 2 GLY N . 50438 35
3 . 1 . 1 7 7 ARG H H 1 8.1770 0.0000 . 1 . . . . . 3 ARG H . 50438 35
4 . 1 . 1 7 7 ARG N N 15 120.7180 0.0000 . 1 . . . . . 3 ARG N . 50438 35
5 . 1 . 1 8 8 GLY H H 1 8.5350 0.0000 . 1 . . . . . 4 GLY H . 50438 35
6 . 1 . 1 8 8 GLY N N 15 110.4640 0.0000 . 1 . . . . . 4 GLY N . 50438 35
7 . 1 . 1 9 9 LYS H H 1 8.2470 0.0000 . 1 . . . . . 5 LYS H . 50438 35
8 . 1 . 1 9 9 LYS N N 15 121.3510 0.0000 . 1 . . . . . 5 LYS N . 50438 35
9 . 1 . 1 10 10 GLN H H 1 8.5450 0.0000 . 1 . . . . . 6 GLN H . 50438 35
10 . 1 . 1 10 10 GLN N N 15 122.0370 0.0000 . 1 . . . . . 6 GLN N . 50438 35
11 . 1 . 1 11 11 GLY H H 1 8.4670 0.0000 . 1 . . . . . 7 GLY H . 50438 35
12 . 1 . 1 11 11 GLY N N 15 110.5710 0.0000 . 1 . . . . . 7 GLY N . 50438 35
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_36
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_36
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 36
_Assigned_chem_shift_list.Name H2B_1_293K
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 5
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_5
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
14 '2D 1H-15N' . . . 50438 36
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 36
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 3 3 GLY H H 1 8.5900 0.0000 . 1 . . . . . -1 GLY H . 50438 36
2 . 2 . 2 3 3 GLY N N 15 110.4500 0.0000 . 1 . . . . . -1 GLY N . 50438 36
3 . 2 . 2 4 4 MET H H 1 8.1140 0.0000 . 1 . . . . . 0 MET H . 50438 36
4 . 2 . 2 4 4 MET N N 15 121.4470 0.0000 . 1 . . . . . 0 MET N . 50438 36
5 . 2 . 2 6 6 GLU H H 1 8.4430 0.0000 . 1 . . . . . 2 GLU H . 50438 36
6 . 2 . 2 6 6 GLU N N 15 122.9730 0.0000 . 1 . . . . . 2 GLU N . 50438 36
7 . 2 . 2 8 8 ALA H H 1 8.3770 0.0000 . 1 . . . . . 4 ALA H . 50438 36
8 . 2 . 2 8 8 ALA N N 15 124.5140 0.0000 . 1 . . . . . 4 ALA N . 50438 36
9 . 2 . 2 9 9 LYS H H 1 8.2930 0.0000 . 1 . . . . . 5 LYS H . 50438 36
10 . 2 . 2 9 9 LYS N N 15 121.2620 0.0000 . 1 . . . . . 5 LYS N . 50438 36
11 . 2 . 2 10 10 SER H H 1 8.2790 0.0000 . 1 . . . . . 6 SER H . 50438 36
12 . 2 . 2 10 10 SER N N 15 117.7890 0.0000 . 1 . . . . . 6 SER N . 50438 36
13 . 2 . 2 11 11 ALA H H 1 8.3000 0.0000 . 1 . . . . . 7 ALA H . 50438 36
14 . 2 . 2 11 11 ALA N N 15 127.4610 0.0000 . 1 . . . . . 7 ALA N . 50438 36
15 . 2 . 2 13 13 ALA H H 1 8.4030 0.0000 . 1 . . . . . 9 ALA H . 50438 36
16 . 2 . 2 13 13 ALA N N 15 126.2230 0.0000 . 1 . . . . . 9 ALA N . 50438 36
17 . 2 . 2 15 15 LYS H H 1 8.4350 0.0000 . 1 . . . . . 11 LYS H . 50438 36
18 . 2 . 2 15 15 LYS N N 15 122.5850 0.0000 . 1 . . . . . 11 LYS N . 50438 36
19 . 2 . 2 16 16 LYS H H 1 8.4760 0.0000 . 1 . . . . . 12 LYS H . 50438 36
20 . 2 . 2 16 16 LYS N N 15 123.7470 0.0000 . 1 . . . . . 12 LYS N . 50438 36
21 . 2 . 2 17 17 GLY H H 1 8.5300 0.0000 . 1 . . . . . 13 GLY H . 50438 36
22 . 2 . 2 17 17 GLY N N 15 111.1160 0.0000 . 1 . . . . . 13 GLY N . 50438 36
23 . 2 . 2 18 18 SER H H 1 8.2110 0.0000 . 1 . . . . . 14 SER H . 50438 36
24 . 2 . 2 18 18 SER N N 15 116.1660 0.0000 . 1 . . . . . 14 SER N . 50438 36
25 . 2 . 2 19 19 LYS H H 1 8.5180 0.0000 . 1 . . . . . 15 LYS H . 50438 36
26 . 2 . 2 19 19 LYS N N 15 124.1050 0.0000 . 1 . . . . . 15 LYS N . 50438 36
27 . 2 . 2 20 20 LYS H H 1 8.3390 0.0000 . 1 . . . . . 16 LYS H . 50438 36
28 . 2 . 2 20 20 LYS N N 15 123.1350 0.0000 . 1 . . . . . 16 LYS N . 50438 36
29 . 2 . 2 21 21 ALA H H 1 8.3370 0.0000 . 1 . . . . . 17 ALA H . 50438 36
30 . 2 . 2 21 21 ALA N N 15 125.9650 0.0000 . 1 . . . . . 17 ALA N . 50438 36
31 . 2 . 2 22 22 VAL H H 1 8.1780 0.0000 . 1 . . . . . 18 VAL H . 50438 36
32 . 2 . 2 22 22 VAL N N 15 120.3070 0.0000 . 1 . . . . . 18 VAL N . 50438 36
33 . 2 . 2 23 23 THR H H 1 8.2440 0.0000 . 1 . . . . . 19 THR H . 50438 36
34 . 2 . 2 23 23 THR N N 15 119.0390 0.0000 . 1 . . . . . 19 THR N . 50438 36
35 . 2 . 2 24 24 LYS H H 1 8.3940 0.0000 . 1 . . . . . 20 LYS H . 50438 36
36 . 2 . 2 24 24 LYS N N 15 124.6700 0.0000 . 1 . . . . . 20 LYS N . 50438 36
37 . 2 . 2 25 25 ALA H H 1 8.3170 0.0000 . 1 . . . . . 21 ALA H . 50438 36
38 . 2 . 2 25 25 ALA N N 15 125.3030 0.0000 . 1 . . . . . 21 ALA N . 50438 36
39 . 2 . 2 26 26 GLN H H 1 8.3210 0.0000 . 1 . . . . . 22 GLN H . 50438 36
40 . 2 . 2 26 26 GLN N N 15 120.2550 0.0000 . 1 . . . . . 22 GLN N . 50438 36
41 . 2 . 2 27 27 LYS H H 1 8.3820 0.0000 . 1 . . . . . 23 LYS H . 50438 36
42 . 2 . 2 27 27 LYS N N 15 123.6410 0.0000 . 1 . . . . . 23 LYS N . 50438 36
43 . 2 . 2 28 28 LYS H H 1 8.4980 0.0000 . 1 . . . . . 24 LYS H . 50438 36
44 . 2 . 2 28 28 LYS N N 15 123.5700 0.0000 . 1 . . . . . 24 LYS N . 50438 36
45 . 2 . 2 29 29 ASP H H 1 8.3130 0.0000 . 1 . . . . . 25 ASP H . 50438 36
46 . 2 . 2 29 29 ASP N N 15 121.3520 0.0000 . 1 . . . . . 25 ASP N . 50438 36
47 . 2 . 2 30 30 GLY H H 1 8.2660 0.0000 . 1 . . . . . 26 GLY H . 50438 36
48 . 2 . 2 30 30 GLY N N 15 109.4180 0.0000 . 1 . . . . . 26 GLY N . 50438 36
49 . 2 . 2 31 31 LYS H H 1 8.0770 0.0000 . 1 . . . . . 27 LYS H . 50438 36
50 . 2 . 2 31 31 LYS N N 15 121.4340 0.0000 . 1 . . . . . 27 LYS N . 50438 36
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_37
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_37
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 37
_Assigned_chem_shift_list.Name H2B_2_293K
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 5
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_5
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
14 '2D 1H-15N' . . . 50438 37
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 37
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 10 10 SER H H 1 8.3060 0.0000 . 1 . . . . . 6 SER H . 50438 37
2 . 2 . 2 10 10 SER N N 15 117.9550 0.0000 . 1 . . . . . 6 SER N . 50438 37
3 . 2 . 2 21 21 ALA H H 1 8.3560 0.0000 . 1 . . . . . 17 ALA H . 50438 37
4 . 2 . 2 21 21 ALA N N 15 126.1140 0.0000 . 1 . . . . . 17 ALA N . 50438 37
5 . 2 . 2 22 22 VAL H H 1 8.2010 0.0000 . 1 . . . . . 18 VAL H . 50438 37
6 . 2 . 2 22 22 VAL N N 15 120.4990 0.0000 . 1 . . . . . 18 VAL N . 50438 37
7 . 2 . 2 23 23 THR H H 1 8.2660 0.0000 . 1 . . . . . 19 THR H . 50438 37
8 . 2 . 2 23 23 THR N N 15 119.3040 0.0000 . 1 . . . . . 19 THR N . 50438 37
9 . 2 . 2 24 24 LYS H H 1 8.4200 0.0000 . 1 . . . . . 20 LYS H . 50438 37
10 . 2 . 2 24 24 LYS N N 15 124.8970 0.0000 . 1 . . . . . 20 LYS N . 50438 37
11 . 2 . 2 25 25 ALA H H 1 8.3480 0.0000 . 1 . . . . . 21 ALA H . 50438 37
12 . 2 . 2 25 25 ALA N N 15 125.5650 0.0000 . 1 . . . . . 21 ALA N . 50438 37
13 . 2 . 2 26 26 GLN H H 1 8.3480 0.0000 . 1 . . . . . 22 GLN H . 50438 37
14 . 2 . 2 26 26 GLN N N 15 120.3960 0.0000 . 1 . . . . . 22 GLN N . 50438 37
15 . 2 . 2 27 27 LYS H H 1 8.4040 0.0000 . 1 . . . . . 23 LYS H . 50438 37
16 . 2 . 2 27 27 LYS N N 15 123.7670 0.0000 . 1 . . . . . 23 LYS N . 50438 37
17 . 2 . 2 28 28 LYS H H 1 8.5290 0.0000 . 1 . . . . . 24 LYS H . 50438 37
18 . 2 . 2 28 28 LYS N N 15 123.7060 0.0000 . 1 . . . . . 24 LYS N . 50438 37
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_38
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_38
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 38
_Assigned_chem_shift_list.Name H2A_1_298K
_Assigned_chem_shift_list.Sample_condition_list_ID 8
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_8
_Assigned_chem_shift_list.Chem_shift_reference_ID 6
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_6
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
15 '2D 1H-15N' . . . 50438 38
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 38
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 GLY H H 1 8.5840 0.0000 . 1 . . . . . -1 GLY H . 50438 38
2 . 1 . 1 3 3 GLY N N 15 110.1130 0.0000 . 1 . . . . . -1 GLY N . 50438 38
3 . 1 . 1 4 4 MET H H 1 8.2650 0.0000 . 1 . . . . . 0 MET H . 50438 38
4 . 1 . 1 4 4 MET N N 15 120.4130 0.0000 . 1 . . . . . 0 MET N . 50438 38
5 . 1 . 1 5 5 SER H H 1 8.3580 0.0000 . 1 . . . . . 1 SER H . 50438 38
6 . 1 . 1 5 5 SER N N 15 117.3290 0.0000 . 1 . . . . . 1 SER N . 50438 38
7 . 1 . 1 6 6 GLY H H 1 8.4370 0.0000 . 1 . . . . . 2 GLY H . 50438 38
8 . 1 . 1 6 6 GLY N N 15 111.1500 0.0000 . 1 . . . . . 2 GLY N . 50438 38
9 . 1 . 1 7 7 ARG H H 1 8.1260 0.0000 . 1 . . . . . 3 ARG H . 50438 38
10 . 1 . 1 7 7 ARG N N 15 120.6200 0.0000 . 1 . . . . . 3 ARG N . 50438 38
11 . 1 . 1 8 8 GLY H H 1 8.4520 0.0000 . 1 . . . . . 4 GLY H . 50438 38
12 . 1 . 1 8 8 GLY N N 15 110.0970 0.0000 . 1 . . . . . 4 GLY N . 50438 38
13 . 1 . 1 9 9 LYS H H 1 8.1710 0.0000 . 1 . . . . . 5 LYS H . 50438 38
14 . 1 . 1 9 9 LYS N N 15 121.3650 0.0000 . 1 . . . . . 5 LYS N . 50438 38
15 . 1 . 1 10 10 GLN H H 1 8.4970 0.0000 . 1 . . . . . 6 GLN H . 50438 38
16 . 1 . 1 10 10 GLN N N 15 121.8450 0.0000 . 1 . . . . . 6 GLN N . 50438 38
17 . 1 . 1 11 11 GLY H H 1 8.3910 0.0000 . 1 . . . . . 7 GLY H . 50438 38
18 . 1 . 1 11 11 GLY N N 15 110.3850 0.0000 . 1 . . . . . 7 GLY N . 50438 38
19 . 1 . 1 12 12 GLY H H 1 8.2840 0.0000 . 1 . . . . . 8 GLY H . 50438 38
20 . 1 . 1 12 12 GLY N N 15 109.2550 0.0000 . 1 . . . . . 8 GLY N . 50438 38
21 . 1 . 1 124 124 THR H H 1 8.2450 0.0000 . 1 . . . . . 120 THR H . 50438 38
22 . 1 . 1 124 124 THR N N 15 117.1630 0.0000 . 1 . . . . . 120 THR N . 50438 38
23 . 1 . 1 125 125 GLU H H 1 8.4840 0.0000 . 1 . . . . . 121 GLU H . 50438 38
24 . 1 . 1 125 125 GLU N N 15 124.1470 0.0000 . 1 . . . . . 121 GLU N . 50438 38
25 . 1 . 1 126 126 SER H H 1 8.3820 0.0000 . 1 . . . . . 122 SER H . 50438 38
26 . 1 . 1 126 126 SER N N 15 117.8860 0.0000 . 1 . . . . . 122 SER N . 50438 38
27 . 1 . 1 127 127 HIS H H 1 8.6380 0.0000 . 1 . . . . . 123 HIS H . 50438 38
28 . 1 . 1 127 127 HIS N N 15 120.8100 0.0000 . 1 . . . . . 123 HIS N . 50438 38
29 . 1 . 1 128 128 HIS H H 1 8.5460 0.0000 . 1 . . . . . 124 HIS H . 50438 38
30 . 1 . 1 128 128 HIS N N 15 120.3120 0.0000 . 1 . . . . . 124 HIS N . 50438 38
31 . 1 . 1 129 129 LYS H H 1 8.5140 0.0000 . 1 . . . . . 125 LYS H . 50438 38
32 . 1 . 1 129 129 LYS N N 15 124.1520 0.0000 . 1 . . . . . 125 LYS N . 50438 38
33 . 1 . 1 130 130 ALA H H 1 8.4430 0.0000 . 1 . . . . . 126 ALA H . 50438 38
34 . 1 . 1 130 130 ALA N N 15 126.4900 0.0000 . 1 . . . . . 126 ALA N . 50438 38
35 . 1 . 1 131 131 LYS H H 1 8.4140 0.0000 . 1 . . . . . 127 LYS H . 50438 38
36 . 1 . 1 131 131 LYS N N 15 121.6590 0.0000 . 1 . . . . . 127 LYS N . 50438 38
37 . 1 . 1 132 132 GLY H H 1 8.4360 0.0000 . 1 . . . . . 128 GLY H . 50438 38
38 . 1 . 1 132 132 GLY N N 15 111.1110 0.0000 . 1 . . . . . 128 GLY N . 50438 38
39 . 1 . 1 133 133 LYS H H 1 7.8020 0.0000 . 1 . . . . . 129 LYS H . 50438 38
40 . 1 . 1 133 133 LYS N N 15 126.2060 0.0000 . 1 . . . . . 129 LYS N . 50438 38
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_39
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_39
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 39
_Assigned_chem_shift_list.Name H2A_2_298K
_Assigned_chem_shift_list.Sample_condition_list_ID 8
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_8
_Assigned_chem_shift_list.Chem_shift_reference_ID 6
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_6
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
15 '2D 1H-15N' . . . 50438 39
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 39
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 6 6 GLY H H 1 8.4750 0.0000 . 1 . . . . . 2 GLY H . 50438 39
2 . 1 . 1 6 6 GLY N N 15 111.1710 0.0000 . 1 . . . . . 2 GLY N . 50438 39
3 . 1 . 1 7 7 ARG H H 1 8.1490 0.0000 . 1 . . . . . 3 ARG H . 50438 39
4 . 1 . 1 7 7 ARG N N 15 120.6770 0.0000 . 1 . . . . . 3 ARG N . 50438 39
5 . 1 . 1 8 8 GLY H H 1 8.4900 0.0000 . 1 . . . . . 4 GLY H . 50438 39
6 . 1 . 1 8 8 GLY N N 15 110.3780 0.0000 . 1 . . . . . 4 GLY N . 50438 39
7 . 1 . 1 9 9 LYS H H 1 8.2060 0.0000 . 1 . . . . . 5 LYS H . 50438 39
8 . 1 . 1 9 9 LYS N N 15 121.2950 0.0000 . 1 . . . . . 5 LYS N . 50438 39
9 . 1 . 1 10 10 GLN H H 1 8.5070 0.0000 . 1 . . . . . 6 GLN H . 50438 39
10 . 1 . 1 10 10 GLN N N 15 121.9830 0.0000 . 1 . . . . . 6 GLN N . 50438 39
11 . 1 . 1 11 11 GLY H H 1 8.4280 0.0000 . 1 . . . . . 7 GLY H . 50438 39
12 . 1 . 1 11 11 GLY N N 15 110.4620 0.0000 . 1 . . . . . 7 GLY N . 50438 39
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_40
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_40
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 40
_Assigned_chem_shift_list.Name H2B_1_298K
_Assigned_chem_shift_list.Sample_condition_list_ID 8
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_8
_Assigned_chem_shift_list.Chem_shift_reference_ID 6
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_6
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
15 '2D 1H-15N' . . . 50438 40
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 40
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 3 3 GLY H H 1 8.5470 0.0000 . 1 . . . . . -1 GLY H . 50438 40
2 . 2 . 2 3 3 GLY N N 15 110.3340 0.0000 . 1 . . . . . -1 GLY N . 50438 40
3 . 2 . 2 4 4 MET H H 1 8.0740 0.0000 . 1 . . . . . 0 MET H . 50438 40
4 . 2 . 2 4 4 MET N N 15 121.3830 0.0000 . 1 . . . . . 0 MET N . 50438 40
5 . 2 . 2 6 6 GLU H H 1 8.3960 0.0000 . 1 . . . . . 2 GLU H . 50438 40
6 . 2 . 2 6 6 GLU N N 15 122.8280 0.0000 . 1 . . . . . 2 GLU N . 50438 40
7 . 2 . 2 8 8 ALA H H 1 8.3290 0.0000 . 1 . . . . . 4 ALA H . 50438 40
8 . 2 . 2 8 8 ALA N N 15 124.3580 0.0000 . 1 . . . . . 4 ALA N . 50438 40
9 . 2 . 2 9 9 LYS H H 1 8.2430 0.0000 . 1 . . . . . 5 LYS H . 50438 40
10 . 2 . 2 9 9 LYS N N 15 121.1160 0.0000 . 1 . . . . . 5 LYS N . 50438 40
11 . 2 . 2 10 10 SER H H 1 8.2350 0.0000 . 1 . . . . . 6 SER H . 50438 40
12 . 2 . 2 10 10 SER N N 15 117.6390 0.0000 . 1 . . . . . 6 SER N . 50438 40
13 . 2 . 2 11 11 ALA H H 1 8.2490 0.0000 . 1 . . . . . 7 ALA H . 50438 40
14 . 2 . 2 11 11 ALA N N 15 127.3480 0.0000 . 1 . . . . . 7 ALA N . 50438 40
15 . 2 . 2 13 13 ALA H H 1 8.3510 0.0000 . 1 . . . . . 9 ALA H . 50438 40
16 . 2 . 2 13 13 ALA N N 15 126.0900 0.0000 . 1 . . . . . 9 ALA N . 50438 40
17 . 2 . 2 15 15 LYS H H 1 8.3930 0.0000 . 1 . . . . . 11 LYS H . 50438 40
18 . 2 . 2 15 15 LYS N N 15 122.4750 0.0000 . 1 . . . . . 11 LYS N . 50438 40
19 . 2 . 2 16 16 LYS H H 1 8.4290 0.0000 . 1 . . . . . 12 LYS H . 50438 40
20 . 2 . 2 16 16 LYS N N 15 123.5820 0.0000 . 1 . . . . . 12 LYS N . 50438 40
21 . 2 . 2 17 17 GLY H H 1 8.4920 0.0000 . 1 . . . . . 13 GLY H . 50438 40
22 . 2 . 2 17 17 GLY N N 15 110.9990 0.0000 . 1 . . . . . 13 GLY N . 50438 40
23 . 2 . 2 18 18 SER H H 1 8.1810 0.0000 . 1 . . . . . 14 SER H . 50438 40
24 . 2 . 2 18 18 SER N N 15 116.0960 0.0000 . 1 . . . . . 14 SER N . 50438 40
25 . 2 . 2 19 19 LYS H H 1 8.4770 0.0000 . 1 . . . . . 15 LYS H . 50438 40
26 . 2 . 2 19 19 LYS N N 15 124.0190 0.0000 . 1 . . . . . 15 LYS N . 50438 40
27 . 2 . 2 20 20 LYS H H 1 8.2990 0.0000 . 1 . . . . . 16 LYS H . 50438 40
28 . 2 . 2 20 20 LYS N N 15 122.9870 0.0000 . 1 . . . . . 16 LYS N . 50438 40
29 . 2 . 2 21 21 ALA H H 1 8.2960 0.0000 . 1 . . . . . 17 ALA H . 50438 40
30 . 2 . 2 21 21 ALA N N 15 125.8180 0.0000 . 1 . . . . . 17 ALA N . 50438 40
31 . 2 . 2 22 22 VAL H H 1 8.1320 0.0000 . 1 . . . . . 18 VAL H . 50438 40
32 . 2 . 2 22 22 VAL N N 15 120.1270 0.0000 . 1 . . . . . 18 VAL N . 50438 40
33 . 2 . 2 23 23 THR H H 1 8.2000 0.0000 . 1 . . . . . 19 THR H . 50438 40
34 . 2 . 2 23 23 THR N N 15 118.7970 0.0000 . 1 . . . . . 19 THR N . 50438 40
35 . 2 . 2 24 24 LYS H H 1 8.3450 0.0000 . 1 . . . . . 20 LYS H . 50438 40
36 . 2 . 2 24 24 LYS N N 15 124.5470 0.0000 . 1 . . . . . 20 LYS N . 50438 40
37 . 2 . 2 25 25 ALA H H 1 8.2820 0.0000 . 1 . . . . . 21 ALA H . 50438 40
38 . 2 . 2 25 25 ALA N N 15 125.2350 0.0000 . 1 . . . . . 21 ALA N . 50438 40
39 . 2 . 2 26 26 GLN H H 1 8.2800 0.0000 . 1 . . . . . 22 GLN H . 50438 40
40 . 2 . 2 26 26 GLN N N 15 120.1420 0.0000 . 1 . . . . . 22 GLN N . 50438 40
41 . 2 . 2 27 27 LYS H H 1 8.3390 0.0000 . 1 . . . . . 23 LYS H . 50438 40
42 . 2 . 2 27 27 LYS N N 15 123.4900 0.0000 . 1 . . . . . 23 LYS N . 50438 40
43 . 2 . 2 28 28 LYS H H 1 8.4550 0.0000 . 1 . . . . . 24 LYS H . 50438 40
44 . 2 . 2 28 28 LYS N N 15 123.4730 0.0000 . 1 . . . . . 24 LYS N . 50438 40
45 . 2 . 2 29 29 ASP H H 1 8.2880 0.0000 . 1 . . . . . 25 ASP H . 50438 40
46 . 2 . 2 29 29 ASP N N 15 121.2980 0.0000 . 1 . . . . . 25 ASP N . 50438 40
47 . 2 . 2 30 30 GLY H H 1 8.2340 0.0000 . 1 . . . . . 26 GLY H . 50438 40
48 . 2 . 2 30 30 GLY N N 15 109.3470 0.0000 . 1 . . . . . 26 GLY N . 50438 40
49 . 2 . 2 31 31 LYS H H 1 8.0490 0.0000 . 1 . . . . . 27 LYS H . 50438 40
50 . 2 . 2 31 31 LYS N N 15 121.3900 0.0000 . 1 . . . . . 27 LYS N . 50438 40
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_41
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_41
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 41
_Assigned_chem_shift_list.Name H2B_2_298K
_Assigned_chem_shift_list.Sample_condition_list_ID 8
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_8
_Assigned_chem_shift_list.Chem_shift_reference_ID 6
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_6
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
15 '2D 1H-15N' . . . 50438 41
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 41
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 10 10 SER H H 1 8.2650 0.0000 . 1 . . . . . 6 SER H . 50438 41
2 . 2 . 2 10 10 SER N N 15 117.8370 0.0000 . 1 . . . . . 6 SER N . 50438 41
3 . 2 . 2 21 21 ALA H H 1 8.3120 0.0000 . 1 . . . . . 17 ALA H . 50438 41
4 . 2 . 2 21 21 ALA N N 15 125.9530 0.0000 . 1 . . . . . 17 ALA N . 50438 41
5 . 2 . 2 22 22 VAL H H 1 8.1500 0.0000 . 1 . . . . . 18 VAL H . 50438 41
6 . 2 . 2 22 22 VAL N N 15 120.2580 0.0000 . 1 . . . . . 18 VAL N . 50438 41
7 . 2 . 2 23 23 THR H H 1 8.2210 0.0000 . 1 . . . . . 19 THR H . 50438 41
8 . 2 . 2 23 23 THR N N 15 119.0760 0.0000 . 1 . . . . . 19 THR N . 50438 41
9 . 2 . 2 24 24 LYS H H 1 8.3740 0.0000 . 1 . . . . . 20 LYS H . 50438 41
10 . 2 . 2 24 24 LYS N N 15 124.7400 0.0000 . 1 . . . . . 20 LYS N . 50438 41
11 . 2 . 2 25 25 ALA H H 1 8.3120 0.0000 . 1 . . . . . 21 ALA H . 50438 41
12 . 2 . 2 25 25 ALA N N 15 125.4790 0.0000 . 1 . . . . . 21 ALA N . 50438 41
13 . 2 . 2 26 26 GLN H H 1 8.3020 0.0000 . 1 . . . . . 22 GLN H . 50438 41
14 . 2 . 2 26 26 GLN N N 15 120.2870 0.0000 . 1 . . . . . 22 GLN N . 50438 41
15 . 2 . 2 27 27 LYS H H 1 8.3580 0.0000 . 1 . . . . . 23 LYS H . 50438 41
16 . 2 . 2 27 27 LYS N N 15 123.6150 0.0000 . 1 . . . . . 23 LYS N . 50438 41
17 . 2 . 2 28 28 LYS H H 1 8.4890 0.0000 . 1 . . . . . 24 LYS H . 50438 41
18 . 2 . 2 28 28 LYS N N 15 123.5630 0.0000 . 1 . . . . . 24 LYS N . 50438 41
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_42
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_42
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 42
_Assigned_chem_shift_list.Name H2A_1_303K
_Assigned_chem_shift_list.Sample_condition_list_ID 9
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_9
_Assigned_chem_shift_list.Chem_shift_reference_ID 7
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_7
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
16 '2D 1H-15N' . . . 50438 42
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 42
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 GLY H H 1 8.5530 0.0000 . 1 . . . . . -1 GLY H . 50438 42
2 . 1 . 1 3 3 GLY N N 15 110.0080 0.0000 . 1 . . . . . -1 GLY N . 50438 42
3 . 1 . 1 4 4 MET H H 1 8.2350 0.0000 . 1 . . . . . 0 MET H . 50438 42
4 . 1 . 1 4 4 MET N N 15 120.3610 0.0000 . 1 . . . . . 0 MET N . 50438 42
5 . 1 . 1 5 5 SER H H 1 8.3270 0.0000 . 1 . . . . . 1 SER H . 50438 42
6 . 1 . 1 5 5 SER N N 15 117.2710 0.0000 . 1 . . . . . 1 SER N . 50438 42
7 . 1 . 1 6 6 GLY H H 1 8.4060 0.0000 . 1 . . . . . 2 GLY H . 50438 42
8 . 1 . 1 6 6 GLY N N 15 111.0800 0.0000 . 1 . . . . . 2 GLY N . 50438 42
9 . 1 . 1 7 7 ARG H H 1 8.1060 0.0000 . 1 . . . . . 3 ARG H . 50438 42
10 . 1 . 1 7 7 ARG N N 15 120.6040 0.0000 . 1 . . . . . 3 ARG N . 50438 42
11 . 1 . 1 8 8 GLY H H 1 8.4250 0.0000 . 1 . . . . . 4 GLY H . 50438 42
12 . 1 . 1 8 8 GLY N N 15 110.0570 0.0000 . 1 . . . . . 4 GLY N . 50438 42
13 . 1 . 1 9 9 LYS H H 1 8.1440 0.0000 . 1 . . . . . 5 LYS H . 50438 42
14 . 1 . 1 9 9 LYS N N 15 121.2780 0.0000 . 1 . . . . . 5 LYS N . 50438 42
15 . 1 . 1 10 10 GLN H H 1 8.4630 0.0000 . 1 . . . . . 6 GLN H . 50438 42
16 . 1 . 1 10 10 GLN N N 15 121.7100 0.0000 . 1 . . . . . 6 GLN N . 50438 42
17 . 1 . 1 11 11 GLY H H 1 8.3610 0.0000 . 1 . . . . . 7 GLY H . 50438 42
18 . 1 . 1 11 11 GLY N N 15 110.2930 0.0000 . 1 . . . . . 7 GLY N . 50438 42
19 . 1 . 1 12 12 GLY H H 1 8.2550 0.0000 . 1 . . . . . 8 GLY H . 50438 42
20 . 1 . 1 12 12 GLY N N 15 109.2220 0.0000 . 1 . . . . . 8 GLY N . 50438 42
21 . 1 . 1 124 124 THR H H 1 8.2160 0.0000 . 1 . . . . . 120 THR H . 50438 42
22 . 1 . 1 124 124 THR N N 15 116.9830 0.0000 . 1 . . . . . 120 THR N . 50438 42
23 . 1 . 1 125 125 GLU H H 1 8.4490 0.0000 . 1 . . . . . 121 GLU H . 50438 42
24 . 1 . 1 125 125 GLU N N 15 124.0390 0.0000 . 1 . . . . . 121 GLU N . 50438 42
25 . 1 . 1 126 126 SER H H 1 8.3460 0.0000 . 1 . . . . . 122 SER H . 50438 42
26 . 1 . 1 126 126 SER N N 15 117.7640 0.0000 . 1 . . . . . 122 SER N . 50438 42
27 . 1 . 1 127 127 HIS H H 1 8.5950 0.0000 . 1 . . . . . 123 HIS H . 50438 42
28 . 1 . 1 127 127 HIS N N 15 120.8450 0.0000 . 1 . . . . . 123 HIS N . 50438 42
29 . 1 . 1 128 128 HIS H H 1 8.5170 0.0000 . 1 . . . . . 124 HIS H . 50438 42
30 . 1 . 1 128 128 HIS N N 15 120.2570 0.0000 . 1 . . . . . 124 HIS N . 50438 42
31 . 1 . 1 129 129 LYS H H 1 8.4790 0.0000 . 1 . . . . . 125 LYS H . 50438 42
32 . 1 . 1 129 129 LYS N N 15 124.0820 0.0000 . 1 . . . . . 125 LYS N . 50438 42
33 . 1 . 1 130 130 ALA H H 1 8.4080 0.0000 . 1 . . . . . 126 ALA H . 50438 42
34 . 1 . 1 130 130 ALA N N 15 126.4060 0.0000 . 1 . . . . . 126 ALA N . 50438 42
35 . 1 . 1 131 131 LYS H H 1 8.3770 0.0000 . 1 . . . . . 127 LYS H . 50438 42
36 . 1 . 1 131 131 LYS N N 15 121.5310 0.0000 . 1 . . . . . 127 LYS N . 50438 42
37 . 1 . 1 132 132 GLY H H 1 8.4040 0.0000 . 1 . . . . . 128 GLY H . 50438 42
38 . 1 . 1 132 132 GLY N N 15 111.0420 0.0000 . 1 . . . . . 128 GLY N . 50438 42
39 . 1 . 1 133 133 LYS H H 1 7.7710 0.0000 . 1 . . . . . 129 LYS H . 50438 42
40 . 1 . 1 133 133 LYS N N 15 126.1800 0.0000 . 1 . . . . . 129 LYS N . 50438 42
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_43
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_43
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 43
_Assigned_chem_shift_list.Name H2A_2_303K
_Assigned_chem_shift_list.Sample_condition_list_ID 9
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_9
_Assigned_chem_shift_list.Chem_shift_reference_ID 7
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_7
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
16 '2D 1H-15N' . . . 50438 43
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 43
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 6 6 GLY H H 1 8.4380 0.0000 . 1 . . . . . 2 GLY H . 50438 43
2 . 1 . 1 6 6 GLY N N 15 111.1050 0.0000 . 1 . . . . . 2 GLY N . 50438 43
3 . 1 . 1 7 7 ARG H H 1 8.1270 0.0000 . 1 . . . . . 3 ARG H . 50438 43
4 . 1 . 1 7 7 ARG N N 15 120.6450 0.0000 . 1 . . . . . 3 ARG N . 50438 43
5 . 1 . 1 8 8 GLY H H 1 8.4520 0.0000 . 1 . . . . . 4 GLY H . 50438 43
6 . 1 . 1 8 8 GLY N N 15 110.2230 0.0000 . 1 . . . . . 4 GLY N . 50438 43
7 . 1 . 1 9 9 LYS H H 1 8.1810 0.0000 . 1 . . . . . 5 LYS H . 50438 43
8 . 1 . 1 9 9 LYS N N 15 121.2470 0.0000 . 1 . . . . . 5 LYS N . 50438 43
9 . 1 . 1 10 10 GLN H H 1 8.4740 0.0000 . 1 . . . . . 6 GLN H . 50438 43
10 . 1 . 1 10 10 GLN N N 15 121.9100 0.0000 . 1 . . . . . 6 GLN N . 50438 43
11 . 1 . 1 11 11 GLY H H 1 8.3980 0.0000 . 1 . . . . . 7 GLY H . 50438 43
12 . 1 . 1 11 11 GLY N N 15 110.4230 0.0000 . 1 . . . . . 7 GLY N . 50438 43
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_44
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_44
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 44
_Assigned_chem_shift_list.Name H2B_1_303K
_Assigned_chem_shift_list.Sample_condition_list_ID 9
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_9
_Assigned_chem_shift_list.Chem_shift_reference_ID 7
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_7
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
16 '2D 1H-15N' . . . 50438 44
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 44
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 3 3 GLY H H 1 8.5150 0.0000 . 1 . . . . . -1 GLY H . 50438 44
2 . 2 . 2 3 3 GLY N N 15 110.2620 0.0000 . 1 . . . . . -1 GLY N . 50438 44
3 . 2 . 2 4 4 MET H H 1 8.0430 0.0000 . 1 . . . . . 0 MET H . 50438 44
4 . 2 . 2 4 4 MET N N 15 121.3250 0.0000 . 1 . . . . . 0 MET N . 50438 44
5 . 2 . 2 6 6 GLU H H 1 8.3530 0.0000 . 1 . . . . . 2 GLU H . 50438 44
6 . 2 . 2 6 6 GLU N N 15 122.7480 0.0000 . 1 . . . . . 2 GLU N . 50438 44
7 . 2 . 2 8 8 ALA H H 1 8.2920 0.0000 . 1 . . . . . 4 ALA H . 50438 44
8 . 2 . 2 8 8 ALA N N 15 124.2240 0.0000 . 1 . . . . . 4 ALA N . 50438 44
9 . 2 . 2 9 9 LYS H H 1 8.2010 0.0000 . 1 . . . . . 5 LYS H . 50438 44
10 . 2 . 2 9 9 LYS N N 15 120.9920 0.0000 . 1 . . . . . 5 LYS N . 50438 44
11 . 2 . 2 10 10 SER H H 1 8.1980 0.0000 . 1 . . . . . 6 SER H . 50438 44
12 . 2 . 2 10 10 SER N N 15 117.5500 0.0000 . 1 . . . . . 6 SER N . 50438 44
13 . 2 . 2 11 11 ALA H H 1 8.2050 0.0000 . 1 . . . . . 7 ALA H . 50438 44
14 . 2 . 2 11 11 ALA N N 15 127.2260 0.0000 . 1 . . . . . 7 ALA N . 50438 44
15 . 2 . 2 13 13 ALA H H 1 8.3080 0.0000 . 1 . . . . . 9 ALA H . 50438 44
16 . 2 . 2 13 13 ALA N N 15 125.9680 0.0000 . 1 . . . . . 9 ALA N . 50438 44
17 . 2 . 2 15 15 LYS H H 1 8.3550 0.0000 . 1 . . . . . 11 LYS H . 50438 44
18 . 2 . 2 15 15 LYS N N 15 122.3500 0.0000 . 1 . . . . . 11 LYS N . 50438 44
19 . 2 . 2 16 16 LYS H H 1 8.3910 0.0000 . 1 . . . . . 12 LYS H . 50438 44
20 . 2 . 2 16 16 LYS N N 15 123.4420 0.0000 . 1 . . . . . 12 LYS N . 50438 44
21 . 2 . 2 17 17 GLY H H 1 8.4620 0.0000 . 1 . . . . . 13 GLY H . 50438 44
22 . 2 . 2 17 17 GLY N N 15 110.8780 0.0000 . 1 . . . . . 13 GLY N . 50438 44
23 . 2 . 2 18 18 SER H H 1 8.1550 0.0000 . 1 . . . . . 14 SER H . 50438 44
24 . 2 . 2 18 18 SER N N 15 116.0630 0.0000 . 1 . . . . . 14 SER N . 50438 44
25 . 2 . 2 19 19 LYS H H 1 8.4480 0.0000 . 1 . . . . . 15 LYS H . 50438 44
26 . 2 . 2 19 19 LYS N N 15 123.9290 0.0000 . 1 . . . . . 15 LYS N . 50438 44
27 . 2 . 2 20 20 LYS H H 1 8.2700 0.0000 . 1 . . . . . 16 LYS H . 50438 44
28 . 2 . 2 20 20 LYS N N 15 122.8570 0.0000 . 1 . . . . . 16 LYS N . 50438 44
29 . 2 . 2 21 21 ALA H H 1 8.2620 0.0000 . 1 . . . . . 17 ALA H . 50438 44
30 . 2 . 2 21 21 ALA N N 15 125.6750 0.0000 . 1 . . . . . 17 ALA N . 50438 44
31 . 2 . 2 22 22 VAL H H 1 8.0970 0.0000 . 1 . . . . . 18 VAL H . 50438 44
32 . 2 . 2 22 22 VAL N N 15 119.9690 0.0000 . 1 . . . . . 18 VAL N . 50438 44
33 . 2 . 2 23 23 THR H H 1 8.1630 0.0000 . 1 . . . . . 19 THR H . 50438 44
34 . 2 . 2 23 23 THR N N 15 118.5780 0.0000 . 1 . . . . . 19 THR N . 50438 44
35 . 2 . 2 24 24 LYS H H 1 8.3210 0.0000 . 1 . . . . . 20 LYS H . 50438 44
36 . 2 . 2 24 24 LYS N N 15 124.4310 0.0000 . 1 . . . . . 20 LYS N . 50438 44
37 . 2 . 2 25 25 ALA H H 1 8.2530 0.0000 . 1 . . . . . 21 ALA H . 50438 44
38 . 2 . 2 25 25 ALA N N 15 125.1630 0.0000 . 1 . . . . . 21 ALA N . 50438 44
39 . 2 . 2 26 26 GLN H H 1 8.2480 0.0000 . 1 . . . . . 22 GLN H . 50438 44
40 . 2 . 2 26 26 GLN N N 15 120.0210 0.0000 . 1 . . . . . 22 GLN N . 50438 44
41 . 2 . 2 27 27 LYS H H 1 8.3110 0.0000 . 1 . . . . . 23 LYS H . 50438 44
42 . 2 . 2 27 27 LYS N N 15 123.4040 0.0000 . 1 . . . . . 23 LYS N . 50438 44
43 . 2 . 2 28 28 LYS H H 1 8.4240 0.0000 . 1 . . . . . 24 LYS H . 50438 44
44 . 2 . 2 28 28 LYS N N 15 123.3580 0.0000 . 1 . . . . . 24 LYS N . 50438 44
45 . 2 . 2 29 29 ASP H H 1 8.2610 0.0000 . 1 . . . . . 25 ASP H . 50438 44
46 . 2 . 2 29 29 ASP N N 15 121.2800 0.0000 . 1 . . . . . 25 ASP N . 50438 44
47 . 2 . 2 30 30 GLY H H 1 8.2090 0.0000 . 1 . . . . . 26 GLY H . 50438 44
48 . 2 . 2 30 30 GLY N N 15 109.3130 0.0000 . 1 . . . . . 26 GLY N . 50438 44
49 . 2 . 2 31 31 LYS H H 1 8.0220 0.0000 . 1 . . . . . 27 LYS H . 50438 44
50 . 2 . 2 31 31 LYS N N 15 121.3680 0.0000 . 1 . . . . . 27 LYS N . 50438 44
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_45
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_45
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 45
_Assigned_chem_shift_list.Name H2B_2_303K
_Assigned_chem_shift_list.Sample_condition_list_ID 9
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_9
_Assigned_chem_shift_list.Chem_shift_reference_ID 7
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_7
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
16 '2D 1H-15N' . . . 50438 45
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 45
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 10 10 SER H H 1 8.2310 0.0000 . 1 . . . . . 6 SER H . 50438 45
2 . 2 . 2 10 10 SER N N 15 117.6740 0.0000 . 1 . . . . . 6 SER N . 50438 45
3 . 2 . 2 21 21 ALA H H 1 8.2780 0.0000 . 1 . . . . . 17 ALA H . 50438 45
4 . 2 . 2 21 21 ALA N N 15 125.8390 0.0000 . 1 . . . . . 17 ALA N . 50438 45
5 . 2 . 2 22 22 VAL H H 1 8.1120 0.0000 . 1 . . . . . 18 VAL H . 50438 45
6 . 2 . 2 22 22 VAL N N 15 120.0840 0.0000 . 1 . . . . . 18 VAL N . 50438 45
7 . 2 . 2 23 23 THR H H 1 8.1840 0.0000 . 1 . . . . . 19 THR H . 50438 45
8 . 2 . 2 23 23 THR N N 15 118.8360 0.0000 . 1 . . . . . 19 THR N . 50438 45
9 . 2 . 2 24 24 LYS H H 1 8.3360 0.0000 . 1 . . . . . 20 LYS H . 50438 45
10 . 2 . 2 24 24 LYS N N 15 124.5580 0.0000 . 1 . . . . . 20 LYS N . 50438 45
11 . 2 . 2 25 25 ALA H H 1 8.2780 0.0000 . 1 . . . . . 21 ALA H . 50438 45
12 . 2 . 2 25 25 ALA N N 15 125.3740 0.0000 . 1 . . . . . 21 ALA N . 50438 45
13 . 2 . 2 26 26 GLN H H 1 8.2690 0.0000 . 1 . . . . . 22 GLN H . 50438 45
14 . 2 . 2 26 26 GLN N N 15 120.1810 0.0000 . 1 . . . . . 22 GLN N . 50438 45
15 . 2 . 2 27 27 LYS H H 1 8.3260 0.0000 . 1 . . . . . 23 LYS H . 50438 45
16 . 2 . 2 27 27 LYS N N 15 123.4970 0.0000 . 1 . . . . . 23 LYS N . 50438 45
17 . 2 . 2 28 28 LYS H H 1 8.4520 0.0000 . 1 . . . . . 24 LYS H . 50438 45
18 . 2 . 2 28 28 LYS N N 15 123.5130 0.0000 . 1 . . . . . 24 LYS N . 50438 45
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_46
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_46
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 46
_Assigned_chem_shift_list.Name H2A_1_308K
_Assigned_chem_shift_list.Sample_condition_list_ID 10
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_10
_Assigned_chem_shift_list.Chem_shift_reference_ID 8
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_8
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
17 '2D 1H-15N' . . . 50438 46
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 46
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 GLY H H 1 8.5190 0.0000 . 1 . . . . . -1 GLY H . 50438 46
2 . 1 . 1 3 3 GLY N N 15 109.9330 0.0000 . 1 . . . . . -1 GLY N . 50438 46
3 . 1 . 1 4 4 MET H H 1 8.2010 0.0000 . 1 . . . . . 0 MET H . 50438 46
4 . 1 . 1 4 4 MET N N 15 120.3170 0.0000 . 1 . . . . . 0 MET N . 50438 46
5 . 1 . 1 5 5 SER H H 1 8.2920 0.0000 . 1 . . . . . 1 SER H . 50438 46
6 . 1 . 1 5 5 SER N N 15 117.1850 0.0000 . 1 . . . . . 1 SER N . 50438 46
7 . 1 . 1 6 6 GLY H H 1 8.3810 0.0000 . 1 . . . . . 2 GLY H . 50438 46
8 . 1 . 1 6 6 GLY N N 15 110.9960 0.0000 . 1 . . . . . 2 GLY N . 50438 46
9 . 1 . 1 7 7 ARG H H 1 8.0830 0.0000 . 1 . . . . . 3 ARG H . 50438 46
10 . 1 . 1 7 7 ARG N N 15 120.5790 0.0000 . 1 . . . . . 3 ARG N . 50438 46
11 . 1 . 1 8 8 GLY H H 1 8.3940 0.0000 . 1 . . . . . 4 GLY H . 50438 46
12 . 1 . 1 8 8 GLY N N 15 110.0080 0.0000 . 1 . . . . . 4 GLY N . 50438 46
13 . 1 . 1 9 9 LYS H H 1 8.1270 0.0000 . 1 . . . . . 5 LYS H . 50438 46
14 . 1 . 1 9 9 LYS N N 15 121.2960 0.0000 . 1 . . . . . 5 LYS N . 50438 46
15 . 1 . 1 10 10 GLN H H 1 8.4260 0.0000 . 1 . . . . . 6 GLN H . 50438 46
16 . 1 . 1 10 10 GLN N N 15 121.6660 0.0000 . 1 . . . . . 6 GLN N . 50438 46
17 . 1 . 1 11 11 GLY H H 1 8.3270 0.0000 . 1 . . . . . 7 GLY H . 50438 46
18 . 1 . 1 11 11 GLY N N 15 110.2310 0.0000 . 1 . . . . . 7 GLY N . 50438 46
19 . 1 . 1 12 12 GLY H H 1 8.2280 0.0000 . 1 . . . . . 8 GLY H . 50438 46
20 . 1 . 1 12 12 GLY N N 15 109.1610 0.0000 . 1 . . . . . 8 GLY N . 50438 46
21 . 1 . 1 124 124 THR H H 1 8.1830 0.0000 . 1 . . . . . 120 THR H . 50438 46
22 . 1 . 1 124 124 THR N N 15 116.8240 0.0000 . 1 . . . . . 120 THR N . 50438 46
23 . 1 . 1 125 125 GLU H H 1 8.4130 0.0000 . 1 . . . . . 121 GLU H . 50438 46
24 . 1 . 1 125 125 GLU N N 15 123.9570 0.0000 . 1 . . . . . 121 GLU N . 50438 46
25 . 1 . 1 126 126 SER H H 1 8.3050 0.0000 . 1 . . . . . 122 SER H . 50438 46
26 . 1 . 1 126 126 SER N N 15 117.6390 0.0000 . 1 . . . . . 122 SER N . 50438 46
27 . 1 . 1 127 127 HIS H H 1 8.5640 0.0000 . 1 . . . . . 123 HIS H . 50438 46
28 . 1 . 1 127 127 HIS N N 15 120.7210 0.0000 . 1 . . . . . 123 HIS N . 50438 46
29 . 1 . 1 128 128 HIS H H 1 8.4810 0.0000 . 1 . . . . . 124 HIS H . 50438 46
30 . 1 . 1 128 128 HIS N N 15 120.1380 0.0000 . 1 . . . . . 124 HIS N . 50438 46
31 . 1 . 1 129 129 LYS H H 1 8.4390 0.0000 . 1 . . . . . 125 LYS H . 50438 46
32 . 1 . 1 129 129 LYS N N 15 123.9360 0.0000 . 1 . . . . . 125 LYS N . 50438 46
33 . 1 . 1 130 130 ALA H H 1 8.3640 0.0000 . 1 . . . . . 126 ALA H . 50438 46
34 . 1 . 1 130 130 ALA N N 15 126.2890 0.0000 . 1 . . . . . 126 ALA N . 50438 46
35 . 1 . 1 131 131 LYS H H 1 8.3360 0.0000 . 1 . . . . . 127 LYS H . 50438 46
36 . 1 . 1 131 131 LYS N N 15 121.4310 0.0000 . 1 . . . . . 127 LYS N . 50438 46
37 . 1 . 1 132 132 GLY H H 1 8.3670 0.0000 . 1 . . . . . 128 GLY H . 50438 46
38 . 1 . 1 132 132 GLY N N 15 110.9440 0.0000 . 1 . . . . . 128 GLY N . 50438 46
39 . 1 . 1 133 133 LYS H H 1 7.7380 0.0000 . 1 . . . . . 129 LYS H . 50438 46
40 . 1 . 1 133 133 LYS N N 15 126.1460 0.0000 . 1 . . . . . 129 LYS N . 50438 46
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_47
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_47
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 47
_Assigned_chem_shift_list.Name H2A_2_308K
_Assigned_chem_shift_list.Sample_condition_list_ID 10
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_10
_Assigned_chem_shift_list.Chem_shift_reference_ID 8
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_8
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
17 '2D 1H-15N' . . . 50438 47
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 47
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 6 6 GLY H H 1 8.4090 0.0000 . 1 . . . . . 2 GLY H . 50438 47
2 . 1 . 1 6 6 GLY N N 15 111.0820 0.0000 . 1 . . . . . 2 GLY N . 50438 47
3 . 1 . 1 7 7 ARG H H 1 8.1020 0.0000 . 1 . . . . . 3 ARG H . 50438 47
4 . 1 . 1 7 7 ARG N N 15 120.6270 0.0000 . 1 . . . . . 3 ARG N . 50438 47
5 . 1 . 1 8 8 GLY H H 1 8.4220 0.0000 . 1 . . . . . 4 GLY H . 50438 47
6 . 1 . 1 8 8 GLY N N 15 110.1660 0.0000 . 1 . . . . . 4 GLY N . 50438 47
7 . 1 . 1 9 9 LYS H H 1 8.1480 0.0000 . 1 . . . . . 5 LYS H . 50438 47
8 . 1 . 1 9 9 LYS N N 15 121.2300 0.0000 . 1 . . . . . 5 LYS N . 50438 47
9 . 1 . 1 10 10 GLN H H 1 8.4340 0.0000 . 1 . . . . . 6 GLN H . 50438 47
10 . 1 . 1 10 10 GLN N N 15 121.7830 0.0000 . 1 . . . . . 6 GLN N . 50438 47
11 . 1 . 1 11 11 GLY H H 1 8.3620 0.0000 . 1 . . . . . 7 GLY H . 50438 47
12 . 1 . 1 11 11 GLY N N 15 110.3060 0.0000 . 1 . . . . . 7 GLY N . 50438 47
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_48
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_48
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 48
_Assigned_chem_shift_list.Name H2B_1_308K
_Assigned_chem_shift_list.Sample_condition_list_ID 10
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_10
_Assigned_chem_shift_list.Chem_shift_reference_ID 8
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_8
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
17 '2D 1H-15N' . . . 50438 48
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 48
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 3 3 GLY H H 1 8.4790 0.0000 . 1 . . . . . -1 GLY H . 50438 48
2 . 2 . 2 3 3 GLY N N 15 110.1380 0.0000 . 1 . . . . . -1 GLY N . 50438 48
3 . 2 . 2 4 4 MET H H 1 8.0090 0.0000 . 1 . . . . . 0 MET H . 50438 48
4 . 2 . 2 4 4 MET N N 15 121.2630 0.0000 . 1 . . . . . 0 MET N . 50438 48
5 . 2 . 2 6 6 GLU H H 1 8.3080 0.0000 . 1 . . . . . 2 GLU H . 50438 48
6 . 2 . 2 6 6 GLU N N 15 122.6150 0.0000 . 1 . . . . . 2 GLU N . 50438 48
7 . 2 . 2 8 8 ALA H H 1 8.2500 0.0000 . 1 . . . . . 4 ALA H . 50438 48
8 . 2 . 2 8 8 ALA N N 15 124.1300 0.0000 . 1 . . . . . 4 ALA N . 50438 48
9 . 2 . 2 9 9 LYS H H 1 8.1580 0.0000 . 1 . . . . . 5 LYS H . 50438 48
10 . 2 . 2 9 9 LYS N N 15 120.8720 0.0000 . 1 . . . . . 5 LYS N . 50438 48
11 . 2 . 2 10 10 SER H H 1 8.1590 0.0000 . 1 . . . . . 6 SER H . 50438 48
12 . 2 . 2 10 10 SER N N 15 117.4030 0.0000 . 1 . . . . . 6 SER N . 50438 48
13 . 2 . 2 11 11 ALA H H 1 8.1670 0.0000 . 1 . . . . . 7 ALA H . 50438 48
14 . 2 . 2 11 11 ALA N N 15 127.1540 0.0000 . 1 . . . . . 7 ALA N . 50438 48
15 . 2 . 2 13 13 ALA H H 1 8.2610 0.0000 . 1 . . . . . 9 ALA H . 50438 48
16 . 2 . 2 13 13 ALA N N 15 125.8830 0.0000 . 1 . . . . . 9 ALA N . 50438 48
17 . 2 . 2 15 15 LYS H H 1 8.3170 0.0000 . 1 . . . . . 11 LYS H . 50438 48
18 . 2 . 2 15 15 LYS N N 15 122.2220 0.0000 . 1 . . . . . 11 LYS N . 50438 48
19 . 2 . 2 16 16 LYS H H 1 8.3470 0.0000 . 1 . . . . . 12 LYS H . 50438 48
20 . 2 . 2 16 16 LYS N N 15 123.2830 0.0000 . 1 . . . . . 12 LYS N . 50438 48
21 . 2 . 2 17 17 GLY H H 1 8.4290 0.0000 . 1 . . . . . 13 GLY H . 50438 48
22 . 2 . 2 17 17 GLY N N 15 110.7940 0.0000 . 1 . . . . . 13 GLY N . 50438 48
23 . 2 . 2 18 18 SER H H 1 8.1290 0.0000 . 1 . . . . . 14 SER H . 50438 48
24 . 2 . 2 18 18 SER N N 15 116.0320 0.0000 . 1 . . . . . 14 SER N . 50438 48
25 . 2 . 2 19 19 LYS H H 1 8.4130 0.0000 . 1 . . . . . 15 LYS H . 50438 48
26 . 2 . 2 19 19 LYS N N 15 123.8370 0.0000 . 1 . . . . . 15 LYS N . 50438 48
27 . 2 . 2 20 20 LYS H H 1 8.2370 0.0000 . 1 . . . . . 16 LYS H . 50438 48
28 . 2 . 2 20 20 LYS N N 15 122.7270 0.0000 . 1 . . . . . 16 LYS N . 50438 48
29 . 2 . 2 21 21 ALA H H 1 8.2270 0.0000 . 1 . . . . . 17 ALA H . 50438 48
30 . 2 . 2 21 21 ALA N N 15 125.5720 0.0000 . 1 . . . . . 17 ALA N . 50438 48
31 . 2 . 2 22 22 VAL H H 1 8.0520 0.0000 . 1 . . . . . 18 VAL H . 50438 48
32 . 2 . 2 22 22 VAL N N 15 119.7450 0.0000 . 1 . . . . . 18 VAL N . 50438 48
33 . 2 . 2 23 23 THR H H 1 8.1260 0.0000 . 1 . . . . . 19 THR H . 50438 48
34 . 2 . 2 23 23 THR N N 15 118.3610 0.0000 . 1 . . . . . 19 THR N . 50438 48
35 . 2 . 2 24 24 LYS H H 1 8.2840 0.0000 . 1 . . . . . 20 LYS H . 50438 48
36 . 2 . 2 24 24 LYS N N 15 124.3110 0.0000 . 1 . . . . . 20 LYS N . 50438 48
37 . 2 . 2 25 25 ALA H H 1 8.2190 0.0000 . 1 . . . . . 21 ALA H . 50438 48
38 . 2 . 2 25 25 ALA N N 15 125.0850 0.0000 . 1 . . . . . 21 ALA N . 50438 48
39 . 2 . 2 26 26 GLN H H 1 8.2150 0.0000 . 1 . . . . . 22 GLN H . 50438 48
40 . 2 . 2 26 26 GLN N N 15 119.9270 0.0000 . 1 . . . . . 22 GLN N . 50438 48
41 . 2 . 2 27 27 LYS H H 1 8.2720 0.0000 . 1 . . . . . 23 LYS H . 50438 48
42 . 2 . 2 27 27 LYS N N 15 123.2630 0.0000 . 1 . . . . . 23 LYS N . 50438 48
43 . 2 . 2 28 28 LYS H H 1 8.3810 0.0000 . 1 . . . . . 24 LYS H . 50438 48
44 . 2 . 2 28 28 LYS N N 15 123.2780 0.0000 . 1 . . . . . 24 LYS N . 50438 48
45 . 2 . 2 29 29 ASP H H 1 8.2360 0.0000 . 1 . . . . . 25 ASP H . 50438 48
46 . 2 . 2 29 29 ASP N N 15 121.2420 0.0000 . 1 . . . . . 25 ASP N . 50438 48
47 . 2 . 2 30 30 GLY H H 1 8.1880 0.0000 . 1 . . . . . 26 GLY H . 50438 48
48 . 2 . 2 30 30 GLY N N 15 109.2590 0.0000 . 1 . . . . . 26 GLY N . 50438 48
49 . 2 . 2 31 31 LYS H H 1 8.0030 0.0000 . 1 . . . . . 27 LYS H . 50438 48
50 . 2 . 2 31 31 LYS N N 15 121.3480 0.0000 . 1 . . . . . 27 LYS N . 50438 48
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_49
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_49
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 49
_Assigned_chem_shift_list.Name H2B_2_308K
_Assigned_chem_shift_list.Sample_condition_list_ID 10
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_10
_Assigned_chem_shift_list.Chem_shift_reference_ID 8
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_8
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
17 '2D 1H-15N' . . . 50438 49
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 49
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 10 10 SER H H 1 8.1930 0.0000 . 1 . . . . . 6 SER H . 50438 49
2 . 2 . 2 10 10 SER N N 15 117.5740 0.0000 . 1 . . . . . 6 SER N . 50438 49
3 . 2 . 2 21 21 ALA H H 1 8.2400 0.0000 . 1 . . . . . 17 ALA H . 50438 49
4 . 2 . 2 21 21 ALA N N 15 125.6960 0.0000 . 1 . . . . . 17 ALA N . 50438 49
5 . 2 . 2 22 22 VAL H H 1 8.0670 0.0000 . 1 . . . . . 18 VAL H . 50438 49
6 . 2 . 2 22 22 VAL N N 15 119.9140 0.0000 . 1 . . . . . 18 VAL N . 50438 49
7 . 2 . 2 23 23 THR H H 1 8.1430 0.0000 . 1 . . . . . 19 THR H . 50438 49
8 . 2 . 2 23 23 THR N N 15 118.6090 0.0000 . 1 . . . . . 19 THR N . 50438 49
9 . 2 . 2 24 24 LYS H H 1 8.2920 0.0000 . 1 . . . . . 20 LYS H . 50438 49
10 . 2 . 2 24 24 LYS N N 15 124.3920 0.0000 . 1 . . . . . 20 LYS N . 50438 49
11 . 2 . 2 25 25 ALA H H 1 8.2410 0.0000 . 1 . . . . . 21 ALA H . 50438 49
12 . 2 . 2 25 25 ALA N N 15 125.3020 0.0000 . 1 . . . . . 21 ALA N . 50438 49
13 . 2 . 2 26 26 GLN H H 1 8.2320 0.0000 . 1 . . . . . 22 GLN H . 50438 49
14 . 2 . 2 26 26 GLN N N 15 120.0830 0.0000 . 1 . . . . . 22 GLN N . 50438 49
15 . 2 . 2 27 27 LYS H H 1 8.2900 0.0000 . 1 . . . . . 23 LYS H . 50438 49
16 . 2 . 2 27 27 LYS N N 15 123.3440 0.0000 . 1 . . . . . 23 LYS N . 50438 49
17 . 2 . 2 28 28 LYS H H 1 8.4150 0.0000 . 1 . . . . . 24 LYS H . 50438 49
18 . 2 . 2 28 28 LYS N N 15 123.3930 0.0000 . 1 . . . . . 24 LYS N . 50438 49
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_50
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_50
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 50
_Assigned_chem_shift_list.Name H2A_1_313K
_Assigned_chem_shift_list.Sample_condition_list_ID 11
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_11
_Assigned_chem_shift_list.Chem_shift_reference_ID 9
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_9
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
18 '2D 1H-15N' . . . 50438 50
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 50
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 GLY H H 1 8.4880 0.0000 . 1 . . . . . -1 GLY H . 50438 50
2 . 1 . 1 3 3 GLY N N 15 109.8760 0.0000 . 1 . . . . . -1 GLY N . 50438 50
3 . 1 . 1 4 4 MET H H 1 8.1670 0.0000 . 1 . . . . . 0 MET H . 50438 50
4 . 1 . 1 4 4 MET N N 15 120.2540 0.0000 . 1 . . . . . 0 MET N . 50438 50
5 . 1 . 1 5 5 SER H H 1 8.2620 0.0000 . 1 . . . . . 1 SER H . 50438 50
6 . 1 . 1 5 5 SER N N 15 117.1460 0.0000 . 1 . . . . . 1 SER N . 50438 50
7 . 1 . 1 6 6 GLY H H 1 8.3500 0.0000 . 1 . . . . . 2 GLY H . 50438 50
8 . 1 . 1 6 6 GLY N N 15 110.9760 0.0000 . 1 . . . . . 2 GLY N . 50438 50
9 . 1 . 1 7 7 ARG H H 1 8.0590 0.0000 . 1 . . . . . 3 ARG H . 50438 50
10 . 1 . 1 7 7 ARG N N 15 120.5490 0.0000 . 1 . . . . . 3 ARG N . 50438 50
11 . 1 . 1 8 8 GLY H H 1 8.3660 0.0000 . 1 . . . . . 4 GLY H . 50438 50
12 . 1 . 1 8 8 GLY N N 15 109.9690 0.0000 . 1 . . . . . 4 GLY N . 50438 50
13 . 1 . 1 9 9 LYS H H 1 8.1060 0.0000 . 1 . . . . . 5 LYS H . 50438 50
14 . 1 . 1 9 9 LYS N N 15 121.2320 0.0000 . 1 . . . . . 5 LYS N . 50438 50
15 . 1 . 1 10 10 GLN H H 1 8.3910 0.0000 . 1 . . . . . 6 GLN H . 50438 50
16 . 1 . 1 10 10 GLN N N 15 121.5930 0.0000 . 1 . . . . . 6 GLN N . 50438 50
17 . 1 . 1 11 11 GLY H H 1 8.2960 0.0000 . 1 . . . . . 7 GLY H . 50438 50
18 . 1 . 1 11 11 GLY N N 15 110.1610 0.0000 . 1 . . . . . 7 GLY N . 50438 50
19 . 1 . 1 12 12 GLY H H 1 8.1970 0.0000 . 1 . . . . . 8 GLY H . 50438 50
20 . 1 . 1 12 12 GLY N N 15 109.1220 0.0000 . 1 . . . . . 8 GLY N . 50438 50
21 . 1 . 1 124 124 THR H H 1 8.1500 0.0000 . 1 . . . . . 120 THR H . 50438 50
22 . 1 . 1 124 124 THR N N 15 116.6600 0.0000 . 1 . . . . . 120 THR N . 50438 50
23 . 1 . 1 125 125 GLU H H 1 8.3780 0.0000 . 1 . . . . . 121 GLU H . 50438 50
24 . 1 . 1 125 125 GLU N N 15 123.8420 0.0000 . 1 . . . . . 121 GLU N . 50438 50
25 . 1 . 1 126 126 SER H H 1 8.2690 0.0000 . 1 . . . . . 122 SER H . 50438 50
26 . 1 . 1 126 126 SER N N 15 117.4780 0.0000 . 1 . . . . . 122 SER N . 50438 50
27 . 1 . 1 127 127 HIS H H 1 8.5270 0.0000 . 1 . . . . . 123 HIS H . 50438 50
28 . 1 . 1 127 127 HIS N N 15 120.6830 0.0000 . 1 . . . . . 123 HIS N . 50438 50
29 . 1 . 1 129 129 LYS H H 1 8.3930 0.0000 . 1 . . . . . 125 LYS H . 50438 50
30 . 1 . 1 129 129 LYS N N 15 123.8150 0.0000 . 1 . . . . . 125 LYS N . 50438 50
31 . 1 . 1 130 130 ALA H H 1 8.3270 0.0000 . 1 . . . . . 126 ALA H . 50438 50
32 . 1 . 1 130 130 ALA N N 15 126.2080 0.0000 . 1 . . . . . 126 ALA N . 50438 50
33 . 1 . 1 131 131 LYS H H 1 8.2960 0.0000 . 1 . . . . . 127 LYS H . 50438 50
34 . 1 . 1 131 131 LYS N N 15 121.3080 0.0000 . 1 . . . . . 127 LYS N . 50438 50
35 . 1 . 1 132 132 GLY H H 1 8.3340 0.0000 . 1 . . . . . 128 GLY H . 50438 50
36 . 1 . 1 132 132 GLY N N 15 110.8410 0.0000 . 1 . . . . . 128 GLY N . 50438 50
37 . 1 . 1 133 133 LYS H H 1 7.7050 0.0000 . 1 . . . . . 129 LYS H . 50438 50
38 . 1 . 1 133 133 LYS N N 15 126.1040 0.0000 . 1 . . . . . 129 LYS N . 50438 50
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_51
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_51
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 51
_Assigned_chem_shift_list.Name H2A_2_313K
_Assigned_chem_shift_list.Sample_condition_list_ID 11
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_11
_Assigned_chem_shift_list.Chem_shift_reference_ID 9
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_9
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
18 '2D 1H-15N' . . . 50438 51
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 51
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 6 6 GLY H H 1 8.3760 0.0000 . 1 . . . . . 2 GLY H . 50438 51
2 . 1 . 1 6 6 GLY N N 15 111.0320 0.0000 . 1 . . . . . 2 GLY N . 50438 51
3 . 1 . 1 7 7 ARG H H 1 8.0690 0.0000 . 1 . . . . . 3 ARG H . 50438 51
4 . 1 . 1 7 7 ARG N N 15 120.5880 0.0000 . 1 . . . . . 3 ARG N . 50438 51
5 . 1 . 1 8 8 GLY H H 1 8.3880 0.0000 . 1 . . . . . 4 GLY H . 50438 51
6 . 1 . 1 8 8 GLY N N 15 110.0800 0.0000 . 1 . . . . . 4 GLY N . 50438 51
7 . 1 . 1 9 9 LYS H H 1 8.1150 0.0000 . 1 . . . . . 5 LYS H . 50438 51
8 . 1 . 1 9 9 LYS N N 15 121.1960 0.0000 . 1 . . . . . 5 LYS N . 50438 51
9 . 1 . 1 10 10 GLN H H 1 8.3960 0.0000 . 1 . . . . . 6 GLN H . 50438 51
10 . 1 . 1 10 10 GLN N N 15 121.6750 0.0000 . 1 . . . . . 6 GLN N . 50438 51
11 . 1 . 1 11 11 GLY H H 1 8.3280 0.0000 . 1 . . . . . 7 GLY H . 50438 51
12 . 1 . 1 11 11 GLY N N 15 110.2700 0.0000 . 1 . . . . . 7 GLY N . 50438 51
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_52
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_52
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 52
_Assigned_chem_shift_list.Name H2B_1_313K
_Assigned_chem_shift_list.Sample_condition_list_ID 11
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_11
_Assigned_chem_shift_list.Chem_shift_reference_ID 9
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_9
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
18 '2D 1H-15N' . . . 50438 52
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 52
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 3 3 GLY H H 1 8.4420 0.0000 . 1 . . . . . -1 GLY H . 50438 52
2 . 2 . 2 3 3 GLY N N 15 110.0680 0.0000 . 1 . . . . . -1 GLY N . 50438 52
3 . 2 . 2 4 4 MET H H 1 7.9770 0.0000 . 1 . . . . . 0 MET H . 50438 52
4 . 2 . 2 4 4 MET N N 15 121.2020 0.0000 . 1 . . . . . 0 MET N . 50438 52
5 . 2 . 2 6 6 GLU H H 1 8.2640 0.0000 . 1 . . . . . 2 GLU H . 50438 52
6 . 2 . 2 6 6 GLU N N 15 122.4870 0.0000 . 1 . . . . . 2 GLU N . 50438 52
7 . 2 . 2 8 8 ALA H H 1 8.2090 0.0000 . 1 . . . . . 4 ALA H . 50438 52
8 . 2 . 2 8 8 ALA N N 15 123.9880 0.0000 . 1 . . . . . 4 ALA N . 50438 52
9 . 2 . 2 9 9 LYS H H 1 8.1150 0.0000 . 1 . . . . . 5 LYS H . 50438 52
10 . 2 . 2 9 9 LYS N N 15 120.7360 0.0000 . 1 . . . . . 5 LYS N . 50438 52
11 . 2 . 2 10 10 SER H H 1 8.1220 0.0000 . 1 . . . . . 6 SER H . 50438 52
12 . 2 . 2 10 10 SER N N 15 117.2670 0.0000 . 1 . . . . . 6 SER N . 50438 52
13 . 2 . 2 11 11 ALA H H 1 8.1300 0.0000 . 1 . . . . . 7 ALA H . 50438 52
14 . 2 . 2 11 11 ALA N N 15 127.0870 0.0000 . 1 . . . . . 7 ALA N . 50438 52
15 . 2 . 2 13 13 ALA H H 1 8.2120 0.0000 . 1 . . . . . 9 ALA H . 50438 52
16 . 2 . 2 13 13 ALA N N 15 125.7290 0.0000 . 1 . . . . . 9 ALA N . 50438 52
17 . 2 . 2 15 15 LYS H H 1 8.2780 0.0000 . 1 . . . . . 11 LYS H . 50438 52
18 . 2 . 2 15 15 LYS N N 15 122.0890 0.0000 . 1 . . . . . 11 LYS N . 50438 52
19 . 2 . 2 16 16 LYS H H 1 8.3040 0.0000 . 1 . . . . . 12 LYS H . 50438 52
20 . 2 . 2 16 16 LYS N N 15 123.1340 0.0000 . 1 . . . . . 12 LYS N . 50438 52
21 . 2 . 2 17 17 GLY H H 1 8.3950 0.0000 . 1 . . . . . 13 GLY H . 50438 52
22 . 2 . 2 17 17 GLY N N 15 110.6680 0.0000 . 1 . . . . . 13 GLY N . 50438 52
23 . 2 . 2 18 18 SER H H 1 8.1010 0.0000 . 1 . . . . . 14 SER H . 50438 52
24 . 2 . 2 18 18 SER N N 15 115.9700 0.0000 . 1 . . . . . 14 SER N . 50438 52
25 . 2 . 2 19 19 LYS H H 1 8.3770 0.0000 . 1 . . . . . 15 LYS H . 50438 52
26 . 2 . 2 19 19 LYS N N 15 123.7360 0.0000 . 1 . . . . . 15 LYS N . 50438 52
27 . 2 . 2 20 20 LYS H H 1 8.2070 0.0000 . 1 . . . . . 16 LYS H . 50438 52
28 . 2 . 2 20 20 LYS N N 15 122.6070 0.0000 . 1 . . . . . 16 LYS N . 50438 52
29 . 2 . 2 21 21 ALA H H 1 8.1930 0.0000 . 1 . . . . . 17 ALA H . 50438 52
30 . 2 . 2 21 21 ALA N N 15 125.4800 0.0000 . 1 . . . . . 17 ALA N . 50438 52
31 . 2 . 2 22 22 VAL H H 1 8.0160 0.0000 . 1 . . . . . 18 VAL H . 50438 52
32 . 2 . 2 22 22 VAL N N 15 119.6140 0.0000 . 1 . . . . . 18 VAL N . 50438 52
33 . 2 . 2 23 23 THR H H 1 8.0860 0.0000 . 1 . . . . . 19 THR H . 50438 52
34 . 2 . 2 23 23 THR N N 15 118.1580 0.0000 . 1 . . . . . 19 THR N . 50438 52
35 . 2 . 2 24 24 LYS H H 1 8.2470 0.0000 . 1 . . . . . 20 LYS H . 50438 52
36 . 2 . 2 24 24 LYS N N 15 124.1800 0.0000 . 1 . . . . . 20 LYS N . 50438 52
37 . 2 . 2 25 25 ALA H H 1 8.1840 0.0000 . 1 . . . . . 21 ALA H . 50438 52
38 . 2 . 2 25 25 ALA N N 15 124.9780 0.0000 . 1 . . . . . 21 ALA N . 50438 52
39 . 2 . 2 26 26 GLN H H 1 8.1810 0.0000 . 1 . . . . . 22 GLN H . 50438 52
40 . 2 . 2 26 26 GLN N N 15 119.8420 0.0000 . 1 . . . . . 22 GLN N . 50438 52
41 . 2 . 2 27 27 LYS H H 1 8.2340 0.0000 . 1 . . . . . 23 LYS H . 50438 52
42 . 2 . 2 27 27 LYS N N 15 123.1660 0.0000 . 1 . . . . . 23 LYS N . 50438 52
43 . 2 . 2 28 28 LYS H H 1 8.3480 0.0000 . 1 . . . . . 24 LYS H . 50438 52
44 . 2 . 2 28 28 LYS N N 15 123.1560 0.0000 . 1 . . . . . 24 LYS N . 50438 52
45 . 2 . 2 29 29 ASP H H 1 8.2090 0.0000 . 1 . . . . . 25 ASP H . 50438 52
46 . 2 . 2 29 29 ASP N N 15 121.2000 0.0000 . 1 . . . . . 25 ASP N . 50438 52
47 . 2 . 2 30 30 GLY H H 1 8.1710 0.0000 . 1 . . . . . 26 GLY H . 50438 52
48 . 2 . 2 30 30 GLY N N 15 109.2100 0.0000 . 1 . . . . . 26 GLY N . 50438 52
49 . 2 . 2 31 31 LYS H H 1 7.9880 0.0000 . 1 . . . . . 27 LYS H . 50438 52
50 . 2 . 2 31 31 LYS N N 15 121.2870 0.0000 . 1 . . . . . 27 LYS N . 50438 52
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_53
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_53
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 53
_Assigned_chem_shift_list.Name H2B_2_313K
_Assigned_chem_shift_list.Sample_condition_list_ID 11
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_11
_Assigned_chem_shift_list.Chem_shift_reference_ID 9
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_9
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
18 '2D 1H-15N' . . . 50438 53
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 53
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 21 21 ALA H H 1 8.2020 0.0000 . 1 . . . . . 17 ALA H . 50438 53
2 . 2 . 2 21 21 ALA N N 15 125.5870 0.0000 . 1 . . . . . 17 ALA N . 50438 53
3 . 2 . 2 22 22 VAL H H 1 8.0250 0.0000 . 1 . . . . . 18 VAL H . 50438 53
4 . 2 . 2 22 22 VAL N N 15 119.7010 0.0000 . 1 . . . . . 18 VAL N . 50438 53
5 . 2 . 2 23 23 THR H H 1 8.1040 0.0000 . 1 . . . . . 19 THR H . 50438 53
6 . 2 . 2 23 23 THR N N 15 118.4000 0.0000 . 1 . . . . . 19 THR N . 50438 53
7 . 2 . 2 24 24 LYS H H 1 8.2530 0.0000 . 1 . . . . . 20 LYS H . 50438 53
8 . 2 . 2 24 24 LYS N N 15 124.3130 0.0000 . 1 . . . . . 20 LYS N . 50438 53
9 . 2 . 2 25 25 ALA H H 1 8.2050 0.0000 . 1 . . . . . 21 ALA H . 50438 53
10 . 2 . 2 25 25 ALA N N 15 125.2200 0.0000 . 1 . . . . . 21 ALA N . 50438 53
11 . 2 . 2 26 26 GLN H H 1 8.1960 0.0000 . 1 . . . . . 22 GLN H . 50438 53
12 . 2 . 2 26 26 GLN N N 15 119.9740 0.0000 . 1 . . . . . 22 GLN N . 50438 53
13 . 2 . 2 27 27 LYS H H 1 8.2490 0.0000 . 1 . . . . . 23 LYS H . 50438 53
14 . 2 . 2 27 27 LYS N N 15 123.2410 0.0000 . 1 . . . . . 23 LYS N . 50438 53
15 . 2 . 2 28 28 LYS H H 1 8.3730 0.0000 . 1 . . . . . 24 LYS H . 50438 53
16 . 2 . 2 28 28 LYS N N 15 123.3010 0.0000 . 1 . . . . . 24 LYS N . 50438 53
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_54
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_54
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 54
_Assigned_chem_shift_list.Name H2A_1_318K
_Assigned_chem_shift_list.Sample_condition_list_ID 12
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_12
_Assigned_chem_shift_list.Chem_shift_reference_ID 10
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_10
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
19 '2D 1H-15N' . . . 50438 54
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 54
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 GLY H H 1 8.4530 0.0000 . 1 . . . . . -1 GLY H . 50438 54
2 . 1 . 1 3 3 GLY N N 15 109.8230 0.0000 . 1 . . . . . -1 GLY N . 50438 54
3 . 1 . 1 4 4 MET H H 1 8.1400 0.0000 . 1 . . . . . 0 MET H . 50438 54
4 . 1 . 1 4 4 MET N N 15 120.2250 0.0000 . 1 . . . . . 0 MET N . 50438 54
5 . 1 . 1 5 5 SER H H 1 8.2290 0.0000 . 1 . . . . . 1 SER H . 50438 54
6 . 1 . 1 5 5 SER N N 15 117.1280 0.0000 . 1 . . . . . 1 SER N . 50438 54
7 . 1 . 1 6 6 GLY H H 1 8.3180 0.0000 . 1 . . . . . 2 GLY H . 50438 54
8 . 1 . 1 6 6 GLY N N 15 110.9420 0.0000 . 1 . . . . . 2 GLY N . 50438 54
9 . 1 . 1 7 7 ARG H H 1 8.0340 0.0000 . 1 . . . . . 3 ARG H . 50438 54
10 . 1 . 1 7 7 ARG N N 15 120.5100 0.0000 . 1 . . . . . 3 ARG N . 50438 54
11 . 1 . 1 8 8 GLY H H 1 8.3370 0.0000 . 1 . . . . . 4 GLY H . 50438 54
12 . 1 . 1 8 8 GLY N N 15 109.8880 0.0000 . 1 . . . . . 4 GLY N . 50438 54
13 . 1 . 1 9 9 LYS H H 1 8.0760 0.0000 . 1 . . . . . 5 LYS H . 50438 54
14 . 1 . 1 9 9 LYS N N 15 121.1790 0.0000 . 1 . . . . . 5 LYS N . 50438 54
15 . 1 . 1 10 10 GLN H H 1 8.3560 0.0000 . 1 . . . . . 6 GLN H . 50438 54
16 . 1 . 1 10 10 GLN N N 15 121.5010 0.0000 . 1 . . . . . 6 GLN N . 50438 54
17 . 1 . 1 11 11 GLY H H 1 8.2650 0.0000 . 1 . . . . . 7 GLY H . 50438 54
18 . 1 . 1 11 11 GLY N N 15 110.0940 0.0000 . 1 . . . . . 7 GLY N . 50438 54
19 . 1 . 1 12 12 GLY H H 1 8.1670 0.0000 . 1 . . . . . 8 GLY H . 50438 54
20 . 1 . 1 12 12 GLY N N 15 109.0940 0.0000 . 1 . . . . . 8 GLY N . 50438 54
21 . 1 . 1 124 124 THR H H 1 8.1210 0.0000 . 1 . . . . . 120 THR H . 50438 54
22 . 1 . 1 124 124 THR N N 15 116.5100 0.0000 . 1 . . . . . 120 THR N . 50438 54
23 . 1 . 1 125 125 GLU H H 1 8.3440 0.0000 . 1 . . . . . 121 GLU H . 50438 54
24 . 1 . 1 125 125 GLU N N 15 123.7460 0.0000 . 1 . . . . . 121 GLU N . 50438 54
25 . 1 . 1 126 126 SER H H 1 8.2310 0.0000 . 1 . . . . . 122 SER H . 50438 54
26 . 1 . 1 126 126 SER N N 15 117.4000 0.0000 . 1 . . . . . 122 SER N . 50438 54
27 . 1 . 1 129 129 LYS H H 1 8.3550 0.0000 . 1 . . . . . 125 LYS H . 50438 54
28 . 1 . 1 129 129 LYS N N 15 123.6920 0.0000 . 1 . . . . . 125 LYS N . 50438 54
29 . 1 . 1 130 130 ALA H H 1 8.2890 0.0000 . 1 . . . . . 126 ALA H . 50438 54
30 . 1 . 1 130 130 ALA N N 15 126.0750 0.0000 . 1 . . . . . 126 ALA N . 50438 54
31 . 1 . 1 131 131 LYS H H 1 8.2530 0.0000 . 1 . . . . . 127 LYS H . 50438 54
32 . 1 . 1 131 131 LYS N N 15 121.1840 0.0000 . 1 . . . . . 127 LYS N . 50438 54
33 . 1 . 1 132 132 GLY H H 1 8.2980 0.0000 . 1 . . . . . 128 GLY H . 50438 54
34 . 1 . 1 132 132 GLY N N 15 110.7480 0.0000 . 1 . . . . . 128 GLY N . 50438 54
35 . 1 . 1 133 133 LYS H H 1 7.6760 0.0000 . 1 . . . . . 129 LYS H . 50438 54
36 . 1 . 1 133 133 LYS N N 15 126.0620 0.0000 . 1 . . . . . 129 LYS N . 50438 54
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_55
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_55
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 55
_Assigned_chem_shift_list.Name H2A_2_318K
_Assigned_chem_shift_list.Sample_condition_list_ID 12
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_12
_Assigned_chem_shift_list.Chem_shift_reference_ID 10
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_10
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
19 '2D 1H-15N' . . . 50438 55
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 55
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 6 6 GLY H H 1 8.3440 0.0000 . 1 . . . . . 2 GLY H . 50438 55
2 . 1 . 1 6 6 GLY N N 15 110.9790 0.0000 . 1 . . . . . 2 GLY N . 50438 55
3 . 1 . 1 8 8 GLY H H 1 8.3500 0.0000 . 1 . . . . . 4 GLY H . 50438 55
4 . 1 . 1 8 8 GLY N N 15 109.9720 0.0000 . 1 . . . . . 4 GLY N . 50438 55
5 . 1 . 1 9 9 LYS H H 1 8.0870 0.0000 . 1 . . . . . 5 LYS H . 50438 55
6 . 1 . 1 9 9 LYS N N 15 121.0960 0.0000 . 1 . . . . . 5 LYS N . 50438 55
7 . 1 . 1 10 10 GLN H H 1 8.3630 0.0000 . 1 . . . . . 6 GLN H . 50438 55
8 . 1 . 1 10 10 GLN N N 15 121.6200 0.0000 . 1 . . . . . 6 GLN N . 50438 55
9 . 1 . 1 11 11 GLY H H 1 8.2910 0.0000 . 1 . . . . . 7 GLY H . 50438 55
10 . 1 . 1 11 11 GLY N N 15 110.1960 0.0000 . 1 . . . . . 7 GLY N . 50438 55
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_56
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_56
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 56
_Assigned_chem_shift_list.Name H2B_1_318K
_Assigned_chem_shift_list.Sample_condition_list_ID 12
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_12
_Assigned_chem_shift_list.Chem_shift_reference_ID 10
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_10
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
19 '2D 1H-15N' . . . 50438 56
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 56
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 3 3 GLY H H 1 8.4070 0.0000 . 1 . . . . . -1 GLY H . 50438 56
2 . 2 . 2 3 3 GLY N N 15 110.0320 0.0000 . 1 . . . . . -1 GLY N . 50438 56
3 . 2 . 2 4 4 MET H H 1 7.9440 0.0000 . 1 . . . . . 0 MET H . 50438 56
4 . 2 . 2 4 4 MET N N 15 121.1470 0.0000 . 1 . . . . . 0 MET N . 50438 56
5 . 2 . 2 6 6 GLU H H 1 8.2190 0.0000 . 1 . . . . . 2 GLU H . 50438 56
6 . 2 . 2 6 6 GLU N N 15 122.4030 0.0000 . 1 . . . . . 2 GLU N . 50438 56
7 . 2 . 2 8 8 ALA H H 1 8.1650 0.0000 . 1 . . . . . 4 ALA H . 50438 56
8 . 2 . 2 8 8 ALA N N 15 123.7770 0.0000 . 1 . . . . . 4 ALA N . 50438 56
9 . 2 . 2 9 9 LYS H H 1 8.0730 0.0000 . 1 . . . . . 5 LYS H . 50438 56
10 . 2 . 2 9 9 LYS N N 15 120.5960 0.0000 . 1 . . . . . 5 LYS N . 50438 56
11 . 2 . 2 10 10 SER H H 1 8.0830 0.0000 . 1 . . . . . 6 SER H . 50438 56
12 . 2 . 2 10 10 SER N N 15 117.1630 0.0000 . 1 . . . . . 6 SER N . 50438 56
13 . 2 . 2 11 11 ALA H H 1 8.0880 0.0000 . 1 . . . . . 7 ALA H . 50438 56
14 . 2 . 2 11 11 ALA N N 15 126.9940 0.0000 . 1 . . . . . 7 ALA N . 50438 56
15 . 2 . 2 13 13 ALA H H 1 8.1670 0.0000 . 1 . . . . . 9 ALA H . 50438 56
16 . 2 . 2 13 13 ALA N N 15 125.5980 0.0000 . 1 . . . . . 9 ALA N . 50438 56
17 . 2 . 2 15 15 LYS H H 1 8.2360 0.0000 . 1 . . . . . 11 LYS H . 50438 56
18 . 2 . 2 15 15 LYS N N 15 121.9480 0.0000 . 1 . . . . . 11 LYS N . 50438 56
19 . 2 . 2 16 16 LYS H H 1 8.2650 0.0000 . 1 . . . . . 12 LYS H . 50438 56
20 . 2 . 2 16 16 LYS N N 15 122.9920 0.0000 . 1 . . . . . 12 LYS N . 50438 56
21 . 2 . 2 17 17 GLY H H 1 8.3610 0.0000 . 1 . . . . . 13 GLY H . 50438 56
22 . 2 . 2 17 17 GLY N N 15 110.5780 0.0000 . 1 . . . . . 13 GLY N . 50438 56
23 . 2 . 2 18 18 SER H H 1 8.0730 0.0000 . 1 . . . . . 14 SER H . 50438 56
24 . 2 . 2 18 18 SER N N 15 115.9070 0.0000 . 1 . . . . . 14 SER N . 50438 56
25 . 2 . 2 19 19 LYS H H 1 8.3410 0.0000 . 1 . . . . . 15 LYS H . 50438 56
26 . 2 . 2 19 19 LYS N N 15 123.6250 0.0000 . 1 . . . . . 15 LYS N . 50438 56
27 . 2 . 2 20 20 LYS H H 1 8.1750 0.0000 . 1 . . . . . 16 LYS H . 50438 56
28 . 2 . 2 20 20 LYS N N 15 122.4770 0.0000 . 1 . . . . . 16 LYS N . 50438 56
29 . 2 . 2 21 21 ALA H H 1 8.1610 0.0000 . 1 . . . . . 17 ALA H . 50438 56
30 . 2 . 2 21 21 ALA N N 15 125.3090 0.0000 . 1 . . . . . 17 ALA N . 50438 56
31 . 2 . 2 22 22 VAL H H 1 7.9760 0.0000 . 1 . . . . . 18 VAL H . 50438 56
32 . 2 . 2 22 22 VAL N N 15 119.4470 0.0000 . 1 . . . . . 18 VAL N . 50438 56
33 . 2 . 2 23 23 THR H H 1 8.0500 0.0000 . 1 . . . . . 19 THR H . 50438 56
34 . 2 . 2 23 23 THR N N 15 117.9920 0.0000 . 1 . . . . . 19 THR N . 50438 56
35 . 2 . 2 24 24 LYS H H 1 8.2120 0.0000 . 1 . . . . . 20 LYS H . 50438 56
36 . 2 . 2 24 24 LYS N N 15 124.0780 0.0000 . 1 . . . . . 20 LYS N . 50438 56
37 . 2 . 2 25 25 ALA H H 1 8.1510 0.0000 . 1 . . . . . 21 ALA H . 50438 56
38 . 2 . 2 25 25 ALA N N 15 124.8840 0.0000 . 1 . . . . . 21 ALA N . 50438 56
39 . 2 . 2 26 26 GLN H H 1 8.1490 0.0000 . 1 . . . . . 22 GLN H . 50438 56
40 . 2 . 2 26 26 GLN N N 15 119.7880 0.0000 . 1 . . . . . 22 GLN N . 50438 56
41 . 2 . 2 27 27 LYS H H 1 8.1960 0.0000 . 1 . . . . . 23 LYS H . 50438 56
42 . 2 . 2 27 27 LYS N N 15 123.0060 0.0000 . 1 . . . . . 23 LYS N . 50438 56
43 . 2 . 2 28 28 LYS H H 1 8.3180 0.0000 . 1 . . . . . 24 LYS H . 50438 56
44 . 2 . 2 28 28 LYS N N 15 123.1360 0.0000 . 1 . . . . . 24 LYS N . 50438 56
45 . 2 . 2 29 29 ASP H H 1 8.1810 0.0000 . 1 . . . . . 25 ASP H . 50438 56
46 . 2 . 2 29 29 ASP N N 15 121.1670 0.0000 . 1 . . . . . 25 ASP N . 50438 56
47 . 2 . 2 30 30 GLY H H 1 8.1460 0.0000 . 1 . . . . . 26 GLY H . 50438 56
48 . 2 . 2 30 30 GLY N N 15 109.1670 0.0000 . 1 . . . . . 26 GLY N . 50438 56
49 . 2 . 2 31 31 LYS H H 1 7.9570 0.0000 . 1 . . . . . 27 LYS H . 50438 56
50 . 2 . 2 31 31 LYS N N 15 121.2270 0.0000 . 1 . . . . . 27 LYS N . 50438 56
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_57
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_57
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 57
_Assigned_chem_shift_list.Name H2B_2_318K
_Assigned_chem_shift_list.Sample_condition_list_ID 12
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_12
_Assigned_chem_shift_list.Chem_shift_reference_ID 10
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_10
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
19 '2D 1H-15N' . . . 50438 57
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 57
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 21 21 ALA H H 1 8.1670 0.0000 . 1 . . . . . 17 ALA H . 50438 57
2 . 2 . 2 21 21 ALA N N 15 125.4820 0.0000 . 1 . . . . . 17 ALA N . 50438 57
3 . 2 . 2 22 22 VAL H H 1 7.9860 0.0000 . 1 . . . . . 18 VAL H . 50438 57
4 . 2 . 2 22 22 VAL N N 15 119.5390 0.0000 . 1 . . . . . 18 VAL N . 50438 57
5 . 2 . 2 23 23 THR H H 1 8.0660 0.0000 . 1 . . . . . 19 THR H . 50438 57
6 . 2 . 2 23 23 THR N N 15 118.1820 0.0000 . 1 . . . . . 19 THR N . 50438 57
7 . 2 . 2 24 24 LYS H H 1 8.2150 0.0000 . 1 . . . . . 20 LYS H . 50438 57
8 . 2 . 2 24 24 LYS N N 15 124.1610 0.0000 . 1 . . . . . 20 LYS N . 50438 57
9 . 2 . 2 25 25 ALA H H 1 8.1710 0.0000 . 1 . . . . . 21 ALA H . 50438 57
10 . 2 . 2 25 25 ALA N N 15 125.1180 0.0000 . 1 . . . . . 21 ALA N . 50438 57
11 . 2 . 2 26 26 GLN H H 1 8.1580 0.0000 . 1 . . . . . 22 GLN H . 50438 57
12 . 2 . 2 26 26 GLN N N 15 119.8580 0.0000 . 1 . . . . . 22 GLN N . 50438 57
13 . 2 . 2 27 27 LYS H H 1 8.2190 0.0000 . 1 . . . . . 23 LYS H . 50438 57
14 . 2 . 2 27 27 LYS N N 15 123.1020 0.0000 . 1 . . . . . 23 LYS N . 50438 57
15 . 2 . 2 28 28 LYS H H 1 8.3410 0.0000 . 1 . . . . . 24 LYS H . 50438 57
16 . 2 . 2 28 28 LYS N N 15 123.1980 0.0000 . 1 . . . . . 24 LYS N . 50438 57
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_58
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_58
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 58
_Assigned_chem_shift_list.Name H2A_1_323K
_Assigned_chem_shift_list.Sample_condition_list_ID 13
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_13
_Assigned_chem_shift_list.Chem_shift_reference_ID 11
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_11
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
20 '2D 1H-15N' . . . 50438 58
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 58
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 GLY H H 1 8.4200 0.0000 . 1 . . . . . -1 GLY H . 50438 58
2 . 1 . 1 3 3 GLY N N 15 109.7060 0.0000 . 1 . . . . . -1 GLY N . 50438 58
3 . 1 . 1 4 4 MET H H 1 8.1070 0.0000 . 1 . . . . . 0 MET H . 50438 58
4 . 1 . 1 4 4 MET N N 15 120.2300 0.0000 . 1 . . . . . 0 MET N . 50438 58
5 . 1 . 1 5 5 SER H H 1 8.1980 0.0000 . 1 . . . . . 1 SER H . 50438 58
6 . 1 . 1 5 5 SER N N 15 117.0270 0.0000 . 1 . . . . . 1 SER N . 50438 58
7 . 1 . 1 7 7 ARG H H 1 8.0100 0.0000 . 1 . . . . . 3 ARG H . 50438 58
8 . 1 . 1 7 7 ARG N N 15 120.4950 0.0000 . 1 . . . . . 3 ARG N . 50438 58
9 . 1 . 1 8 8 GLY H H 1 8.3040 0.0000 . 1 . . . . . 4 GLY H . 50438 58
10 . 1 . 1 8 8 GLY N N 15 109.8060 0.0000 . 1 . . . . . 4 GLY N . 50438 58
11 . 1 . 1 10 10 GLN H H 1 8.3230 0.0000 . 1 . . . . . 6 GLN H . 50438 58
12 . 1 . 1 10 10 GLN N N 15 121.4260 0.0000 . 1 . . . . . 6 GLN N . 50438 58
13 . 1 . 1 11 11 GLY H H 1 8.2390 0.0000 . 1 . . . . . 7 GLY H . 50438 58
14 . 1 . 1 11 11 GLY N N 15 110.0150 0.0000 . 1 . . . . . 7 GLY N . 50438 58
15 . 1 . 1 12 12 GLY H H 1 8.1430 0.0000 . 1 . . . . . 8 GLY H . 50438 58
16 . 1 . 1 12 12 GLY N N 15 109.0360 0.0000 . 1 . . . . . 8 GLY N . 50438 58
17 . 1 . 1 124 124 THR H H 1 8.0870 0.0000 . 1 . . . . . 120 THR H . 50438 58
18 . 1 . 1 124 124 THR N N 15 116.3140 0.0000 . 1 . . . . . 120 THR N . 50438 58
19 . 1 . 1 125 125 GLU H H 1 8.3110 0.0000 . 1 . . . . . 121 GLU H . 50438 58
20 . 1 . 1 125 125 GLU N N 15 123.6430 0.0000 . 1 . . . . . 121 GLU N . 50438 58
21 . 1 . 1 126 126 SER H H 1 8.1950 0.0000 . 1 . . . . . 122 SER H . 50438 58
22 . 1 . 1 126 126 SER N N 15 117.2640 0.0000 . 1 . . . . . 122 SER N . 50438 58
23 . 1 . 1 129 129 LYS H H 1 8.3190 0.0000 . 1 . . . . . 125 LYS H . 50438 58
24 . 1 . 1 129 129 LYS N N 15 123.5950 0.0000 . 1 . . . . . 125 LYS N . 50438 58
25 . 1 . 1 130 130 ALA H H 1 8.2500 0.0000 . 1 . . . . . 126 ALA H . 50438 58
26 . 1 . 1 130 130 ALA N N 15 125.9430 0.0000 . 1 . . . . . 126 ALA N . 50438 58
27 . 1 . 1 131 131 LYS H H 1 8.2160 0.0000 . 1 . . . . . 127 LYS H . 50438 58
28 . 1 . 1 131 131 LYS N N 15 121.0910 0.0000 . 1 . . . . . 127 LYS N . 50438 58
29 . 1 . 1 132 132 GLY H H 1 8.2640 0.0000 . 1 . . . . . 128 GLY H . 50438 58
30 . 1 . 1 132 132 GLY N N 15 110.6560 0.0000 . 1 . . . . . 128 GLY N . 50438 58
31 . 1 . 1 133 133 LYS H H 1 7.6460 0.0000 . 1 . . . . . 129 LYS H . 50438 58
32 . 1 . 1 133 133 LYS N N 15 126.0150 0.0000 . 1 . . . . . 129 LYS N . 50438 58
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_59
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_59
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 59
_Assigned_chem_shift_list.Name H2A_2_323K
_Assigned_chem_shift_list.Sample_condition_list_ID 13
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_13
_Assigned_chem_shift_list.Chem_shift_reference_ID 11
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_11
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
20 '2D 1H-15N' . . . 50438 59
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 59
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 8 8 GLY H H 1 8.3160 0.0000 . 1 . . . . . 4 GLY H . 50438 59
2 . 1 . 1 8 8 GLY N N 15 109.8770 0.0000 . 1 . . . . . 4 GLY N . 50438 59
3 . 1 . 1 9 9 LYS H H 1 8.0580 0.0000 . 1 . . . . . 5 LYS H . 50438 59
4 . 1 . 1 9 9 LYS N N 15 121.0830 0.0000 . 1 . . . . . 5 LYS N . 50438 59
5 . 1 . 1 10 10 GLN H H 1 8.3260 0.0000 . 1 . . . . . 6 GLN H . 50438 59
6 . 1 . 1 10 10 GLN N N 15 121.4870 0.0000 . 1 . . . . . 6 GLN N . 50438 59
7 . 1 . 1 11 11 GLY H H 1 8.2630 0.0000 . 1 . . . . . 7 GLY H . 50438 59
8 . 1 . 1 11 11 GLY N N 15 110.1450 0.0000 . 1 . . . . . 7 GLY N . 50438 59
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_60
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_60
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 60
_Assigned_chem_shift_list.Name H2B_1_323K
_Assigned_chem_shift_list.Sample_condition_list_ID 13
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_13
_Assigned_chem_shift_list.Chem_shift_reference_ID 11
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_11
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
20 '2D 1H-15N' . . . 50438 60
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 60
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 3 3 GLY H H 1 8.3730 0.0000 . 1 . . . . . -1 GLY H . 50438 60
2 . 2 . 2 3 3 GLY N N 15 109.8590 0.0000 . 1 . . . . . -1 GLY N . 50438 60
3 . 2 . 2 4 4 MET H H 1 7.9120 0.0000 . 1 . . . . . 0 MET H . 50438 60
4 . 2 . 2 4 4 MET N N 15 121.0780 0.0000 . 1 . . . . . 0 MET N . 50438 60
5 . 2 . 2 6 6 GLU H H 1 8.1760 0.0000 . 1 . . . . . 2 GLU H . 50438 60
6 . 2 . 2 6 6 GLU N N 15 122.2700 0.0000 . 1 . . . . . 2 GLU N . 50438 60
7 . 2 . 2 8 8 ALA H H 1 8.1270 0.0000 . 1 . . . . . 4 ALA H . 50438 60
8 . 2 . 2 8 8 ALA N N 15 123.6590 0.0000 . 1 . . . . . 4 ALA N . 50438 60
9 . 2 . 2 9 9 LYS H H 1 8.0340 0.0000 . 1 . . . . . 5 LYS H . 50438 60
10 . 2 . 2 9 9 LYS N N 15 120.4720 0.0000 . 1 . . . . . 5 LYS N . 50438 60
11 . 2 . 2 10 10 SER H H 1 8.0520 0.0000 . 1 . . . . . 6 SER H . 50438 60
12 . 2 . 2 10 10 SER N N 15 116.9700 0.0000 . 1 . . . . . 6 SER N . 50438 60
13 . 2 . 2 11 11 ALA H H 1 8.0490 0.0000 . 1 . . . . . 7 ALA H . 50438 60
14 . 2 . 2 11 11 ALA N N 15 126.9180 0.0000 . 1 . . . . . 7 ALA N . 50438 60
15 . 2 . 2 13 13 ALA H H 1 8.1230 0.0000 . 1 . . . . . 9 ALA H . 50438 60
16 . 2 . 2 13 13 ALA N N 15 125.4770 0.0000 . 1 . . . . . 9 ALA N . 50438 60
17 . 2 . 2 15 15 LYS H H 1 8.1990 0.0000 . 1 . . . . . 11 LYS H . 50438 60
18 . 2 . 2 15 15 LYS N N 15 121.8530 0.0000 . 1 . . . . . 11 LYS N . 50438 60
19 . 2 . 2 16 16 LYS H H 1 8.2240 0.0000 . 1 . . . . . 12 LYS H . 50438 60
20 . 2 . 2 16 16 LYS N N 15 122.8720 0.0000 . 1 . . . . . 12 LYS N . 50438 60
21 . 2 . 2 17 17 GLY H H 1 8.3330 0.0000 . 1 . . . . . 13 GLY H . 50438 60
22 . 2 . 2 17 17 GLY N N 15 110.4690 0.0000 . 1 . . . . . 13 GLY N . 50438 60
23 . 2 . 2 18 18 SER H H 1 8.0480 0.0000 . 1 . . . . . 14 SER H . 50438 60
24 . 2 . 2 18 18 SER N N 15 115.8580 0.0000 . 1 . . . . . 14 SER N . 50438 60
25 . 2 . 2 19 19 LYS H H 1 8.3070 0.0000 . 1 . . . . . 15 LYS H . 50438 60
26 . 2 . 2 19 19 LYS N N 15 123.5260 0.0000 . 1 . . . . . 15 LYS N . 50438 60
27 . 2 . 2 20 20 LYS H H 1 8.1460 0.0000 . 1 . . . . . 16 LYS H . 50438 60
28 . 2 . 2 20 20 LYS N N 15 122.3640 0.0000 . 1 . . . . . 16 LYS N . 50438 60
29 . 2 . 2 21 21 ALA H H 1 8.1320 0.0000 . 1 . . . . . 17 ALA H . 50438 60
30 . 2 . 2 21 21 ALA N N 15 125.2820 0.0000 . 1 . . . . . 17 ALA N . 50438 60
31 . 2 . 2 22 22 VAL H H 1 7.9400 0.0000 . 1 . . . . . 18 VAL H . 50438 60
32 . 2 . 2 22 22 VAL N N 15 119.2830 0.0000 . 1 . . . . . 18 VAL N . 50438 60
33 . 2 . 2 23 23 THR H H 1 8.0190 0.0000 . 1 . . . . . 19 THR H . 50438 60
34 . 2 . 2 23 23 THR N N 15 117.7910 0.0000 . 1 . . . . . 19 THR N . 50438 60
35 . 2 . 2 24 24 LYS H H 1 8.1750 0.0000 . 1 . . . . . 20 LYS H . 50438 60
36 . 2 . 2 24 24 LYS N N 15 123.9890 0.0000 . 1 . . . . . 20 LYS N . 50438 60
37 . 2 . 2 25 25 ALA H H 1 8.1210 0.0000 . 1 . . . . . 21 ALA H . 50438 60
38 . 2 . 2 25 25 ALA N N 15 124.8170 0.0000 . 1 . . . . . 21 ALA N . 50438 60
39 . 2 . 2 26 26 GLN H H 1 8.1200 0.0000 . 1 . . . . . 22 GLN H . 50438 60
40 . 2 . 2 26 26 GLN N N 15 119.7210 0.0000 . 1 . . . . . 22 GLN N . 50438 60
41 . 2 . 2 27 27 LYS H H 1 8.1630 0.0000 . 1 . . . . . 23 LYS H . 50438 60
42 . 2 . 2 27 27 LYS N N 15 122.9330 0.0000 . 1 . . . . . 23 LYS N . 50438 60
43 . 2 . 2 28 28 LYS H H 1 8.2780 0.0000 . 1 . . . . . 24 LYS H . 50438 60
44 . 2 . 2 28 28 LYS N N 15 123.0120 0.0000 . 1 . . . . . 24 LYS N . 50438 60
45 . 2 . 2 29 29 ASP H H 1 8.1550 0.0000 . 1 . . . . . 25 ASP H . 50438 60
46 . 2 . 2 29 29 ASP N N 15 121.1200 0.0000 . 1 . . . . . 25 ASP N . 50438 60
47 . 2 . 2 30 30 GLY H H 1 8.1280 0.0000 . 1 . . . . . 26 GLY H . 50438 60
48 . 2 . 2 30 30 GLY N N 15 109.1160 0.0000 . 1 . . . . . 26 GLY N . 50438 60
49 . 2 . 2 31 31 LYS H H 1 7.9370 0.0000 . 1 . . . . . 27 LYS H . 50438 60
50 . 2 . 2 31 31 LYS N N 15 121.1340 0.0000 . 1 . . . . . 27 LYS N . 50438 60
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_61
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_61
_Assigned_chem_shift_list.Entry_ID 50438
_Assigned_chem_shift_list.ID 61
_Assigned_chem_shift_list.Name H2B_2_323K
_Assigned_chem_shift_list.Sample_condition_list_ID 13
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_13
_Assigned_chem_shift_list.Chem_shift_reference_ID 11
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_11
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
20 '2D 1H-15N' . . . 50438 61
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50438 61
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 21 21 ALA H H 1 8.1390 0.0000 . 1 . . . . . 17 ALA H . 50438 61
2 . 2 . 2 21 21 ALA N N 15 125.4180 0.0000 . 1 . . . . . 17 ALA N . 50438 61
3 . 2 . 2 22 22 VAL H H 1 7.9500 0.0000 . 1 . . . . . 18 VAL H . 50438 61
4 . 2 . 2 22 22 VAL N N 15 119.3780 0.0000 . 1 . . . . . 18 VAL N . 50438 61
5 . 2 . 2 23 23 THR H H 1 8.0310 0.0000 . 1 . . . . . 19 THR H . 50438 61
6 . 2 . 2 23 23 THR N N 15 117.9740 0.0000 . 1 . . . . . 19 THR N . 50438 61
7 . 2 . 2 24 24 LYS H H 1 8.1800 0.0000 . 1 . . . . . 20 LYS H . 50438 61
8 . 2 . 2 24 24 LYS N N 15 124.0500 0.0000 . 1 . . . . . 20 LYS N . 50438 61
9 . 2 . 2 25 25 ALA H H 1 8.1340 0.0000 . 1 . . . . . 21 ALA H . 50438 61
10 . 2 . 2 25 25 ALA N N 15 125.0960 0.0000 . 1 . . . . . 21 ALA N . 50438 61
11 . 2 . 2 26 26 GLN H H 1 8.1300 0.0000 . 1 . . . . . 22 GLN H . 50438 61
12 . 2 . 2 26 26 GLN N N 15 119.7990 0.0000 . 1 . . . . . 22 GLN N . 50438 61
13 . 2 . 2 27 27 LYS H H 1 8.1830 0.0000 . 1 . . . . . 23 LYS H . 50438 61
14 . 2 . 2 27 27 LYS N N 15 122.9890 0.0000 . 1 . . . . . 23 LYS N . 50438 61
15 . 2 . 2 28 28 LYS H H 1 8.3030 0.0000 . 1 . . . . . 24 LYS H . 50438 61
16 . 2 . 2 28 28 LYS N N 15 123.1170 0.0000 . 1 . . . . . 24 LYS N . 50438 61
stop_
save_