###################################
# 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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 15099
_Assigned_chem_shift_list.ID 1
_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 $chemical_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-1H TOCSY' . . . 15099 1
3 '2D 1H-13C HSQC' . . . 15099 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 1 1 LYS H H 1 8.712 . . 1 . . . . 1 LYS HN . 15099 1
2 . 1 1 1 1 LYS HA H 1 3.870 . . 1 . . . . 1 LYS HA . 15099 1
3 . 1 1 1 1 LYS HB2 H 1 1.584 . . 2 . . . . 1 LYS HB1 . 15099 1
4 . 1 1 1 1 LYS HG2 H 1 1.207 . . 2 . . . . 1 LYS HG1 . 15099 1
5 . 1 1 1 1 LYS HD2 H 1 1.557 . . 2 . . . . 1 LYS HD1 . 15099 1
6 . 1 1 1 1 LYS HE2 H 1 2.818 . . 2 . . . . 1 LYS HE1 . 15099 1
7 . 1 1 1 1 LYS CA C 13 58.00 . . 1 . . . . 1 LYS CA . 15099 1
8 . 1 1 1 1 LYS CB C 13 28.10 . . 1 . . . . 1 LYS CB . 15099 1
9 . 1 1 2 2 TRP H H 1 8.394 . . 1 . . . . 2 TRP HN . 15099 1
10 . 1 1 2 2 TRP HA H 1 4.760 . . 1 . . . . 2 TRP HA . 15099 1
11 . 1 1 2 2 TRP HB2 H 1 3.312 . . 2 . . . . 2 TRP HB1 . 15099 1
12 . 1 1 2 2 TRP HD1 H 1 7.341 . . 1 . . . . 2 TRP HD1 . 15099 1
13 . 1 1 2 2 TRP HE1 H 1 10.653 . . 1 . . . . 2 TRP HE1 . 15099 1
14 . 1 1 2 2 TRP HE3 H 1 7.497 . . 1 . . . . 2 TRP HE3 . 15099 1
15 . 1 1 2 2 TRP HZ2 H 1 7.509 . . 1 . . . . 2 TRP HZ2 . 15099 1
16 . 1 1 2 2 TRP HZ3 H 1 6.837 . . 1 . . . . 2 TRP HZ3 . 15099 1
17 . 1 1 2 2 TRP HH2 H 1 7.074 . . 1 . . . . 2 TRP HH2 . 15099 1
18 . 1 1 2 2 TRP CB C 13 27.80 . . 1 . . . . 2 TRP CB . 15099 1
19 . 1 1 3 3 LYS H H 1 7.804 . . 1 . . . . 3 LYS HN . 15099 1
20 . 1 1 3 3 LYS HA H 1 3.905 . . 1 . . . . 3 LYS HA . 15099 1
21 . 1 1 3 3 LYS HB2 H 1 1.995 . . 2 . . . . 3 LYS HB1 . 15099 1
22 . 1 1 3 3 LYS CA C 13 58.00 . . 1 . . . . 3 LYS CA . 15099 1
23 . 1 1 3 3 LYS CB C 13 31.10 . . 1 . . . . 3 LYS CB . 15099 1
24 . 1 1 4 4 LEU H H 1 7.864 . . 1 . . . . 4 LEU HN . 15099 1
25 . 1 1 4 4 LEU HA H 1 4.049 . . 1 . . . . 4 LEU HA . 15099 1
26 . 1 1 4 4 LEU HB2 H 1 1.670 . . 2 . . . . 4 LEU HB1 . 15099 1
27 . 1 1 4 4 LEU HG H 1 1.651 . . 1 . . . . 4 LEU HG . 15099 1
28 . 1 1 4 4 LEU HD11 H 1 0.834 . . 2 . . . . 4 LEU HD1 . 15099 1
29 . 1 1 4 4 LEU HD12 H 1 0.834 . . 2 . . . . 4 LEU HD1 . 15099 1
30 . 1 1 4 4 LEU HD13 H 1 0.834 . . 2 . . . . 4 LEU HD1 . 15099 1
31 . 1 1 4 4 LEU CA C 13 56.80 . . 1 . . . . 4 LEU CA . 15099 1
32 . 1 1 4 4 LEU CB C 13 40.40 . . 1 . . . . 4 LEU CB . 15099 1
33 . 1 1 5 5 PHE H H 1 8.154 . . 1 . . . . 5 PHE HN . 15099 1
34 . 1 1 5 5 PHE HA H 1 4.184 . . 1 . . . . 5 PHE HA . 15099 1
35 . 1 1 5 5 PHE HB2 H 1 3.155 . . 2 . . . . 5 PHE HB1 . 15099 1
36 . 1 1 5 5 PHE HD1 H 1 7.069 . . 1 . . . . 5 PHE HD1 . 15099 1
37 . 1 1 5 5 PHE CA C 13 60.50 . . 1 . . . . 5 PHE CA . 15099 1
38 . 1 1 5 5 PHE CB C 13 37.10 . . 1 . . . . 5 PHE CB . 15099 1
39 . 1 1 6 6 LYS H H 1 8.033 . . 1 . . . . 6 LYS HN . 15099 1
40 . 1 1 6 6 LYS HA H 1 3.931 . . 1 . . . . 6 LYS HA . 15099 1
41 . 1 1 6 6 LYS HB2 H 1 1.846 . . 2 . . . . 6 LYS HB1 . 15099 1
42 . 1 1 6 6 LYS HG2 H 1 1.389 . . 2 . . . . 6 LYS HG1 . 15099 1
43 . 1 1 6 6 LYS CA C 13 58.20 . . 1 . . . . 6 LYS CA . 15099 1
44 . 1 1 6 6 LYS CB C 13 31.10 . . 1 . . . . 6 LYS CB . 15099 1
45 . 1 1 7 7 LYS H H 1 7.745 . . 1 . . . . 7 LYS HN . 15099 1
46 . 1 1 7 7 LYS HA H 1 4.170 . . 1 . . . . 7 LYS HA . 15099 1
47 . 1 1 7 7 LYS HB2 H 1 1.899 . . 2 . . . . 7 LYS HB1 . 15099 1
48 . 1 1 7 7 LYS HG2 H 1 1.658 . . 2 . . . . 7 LYS HG1 . 15099 1
49 . 1 1 7 7 LYS HE2 H 1 2.912 . . 2 . . . . 7 LYS HE1 . 15099 1
50 . 1 1 7 7 LYS CA C 13 57.50 . . 1 . . . . 7 LYS CA . 15099 1
51 . 1 1 8 8 ILE H H 1 8.069 . . 1 . . . . 8 ILE HN . 15099 1
52 . 1 1 8 8 ILE HA H 1 3.672 . . 1 . . . . 8 ILE HA . 15099 1
53 . 1 1 8 8 ILE HB H 1 1.833 . . 1 . . . . 8 ILE HB . 15099 1
54 . 1 1 8 8 ILE HG12 H 1 0.845 . . 2 . . . . 8 ILE HG11 . 15099 1
55 . 1 1 8 8 ILE HD11 H 1 0.776 . . 1 . . . . 8 ILE HD1 . 15099 1
56 . 1 1 8 8 ILE HD12 H 1 0.776 . . 1 . . . . 8 ILE HD1 . 15099 1
57 . 1 1 8 8 ILE HD13 H 1 0.776 . . 1 . . . . 8 ILE HD1 . 15099 1
58 . 1 1 8 8 ILE CA C 13 63.70 . . 1 . . . . 8 ILE CA . 15099 1
59 . 1 1 8 8 ILE CB C 13 36.80 . . 1 . . . . 8 ILE CB . 15099 1
60 . 1 1 9 9 GLY H H 1 8.409 . . 1 . . . . 9 GLY HN . 15099 1
61 . 1 1 9 9 GLY HA2 H 1 3.670 . . 2 . . . . 9 GLY HA1 . 15099 1
62 . 1 1 9 9 GLY CA C 13 46.50 . . 1 . . . . 9 GLY CA . 15099 1
63 . 1 1 10 10 ALA H H 1 7.769 . . 1 . . . . 10 ALA HN . 15099 1
64 . 1 1 10 10 ALA HA H 1 4.105 . . 1 . . . . 10 ALA HA . 15099 1
65 . 1 1 10 10 ALA HB1 H 1 1.518 . . 1 . . . . 10 ALA HB . 15099 1
66 . 1 1 10 10 ALA HB2 H 1 1.518 . . 1 . . . . 10 ALA HB . 15099 1
67 . 1 1 10 10 ALA HB3 H 1 1.518 . . 1 . . . . 10 ALA HB . 15099 1
68 . 1 1 10 10 ALA CA C 13 53.80 . . 1 . . . . 10 ALA CA . 15099 1
69 . 1 1 10 10 ALA CB C 13 17.40 . . 1 . . . . 10 ALA CB . 15099 1
70 . 1 1 11 11 VAL H H 1 7.681 . . 1 . . . . 11 VAL HN . 15099 1
71 . 1 1 11 11 VAL HA H 1 3.755 . . 1 . . . . 11 VAL HA . 15099 1
72 . 1 1 11 11 VAL HB H 1 2.260 . . 1 . . . . 11 VAL HB . 15099 1
73 . 1 1 11 11 VAL HG11 H 1 0.994 . . 2 . . . . 11 VAL HG1 . 15099 1
74 . 1 1 11 11 VAL HG12 H 1 0.994 . . 2 . . . . 11 VAL HG1 . 15099 1
75 . 1 1 11 11 VAL HG13 H 1 0.994 . . 2 . . . . 11 VAL HG1 . 15099 1
76 . 1 1 11 11 VAL CA C 13 64.40 . . 1 . . . . 11 VAL CA . 15099 1
77 . 1 1 11 11 VAL CB C 13 30.80 . . 1 . . . . 11 VAL CB . 15099 1
78 . 1 1 12 12 LEU H H 1 8.055 . . 1 . . . . 12 LEU HN . 15099 1
79 . 1 1 12 12 LEU HA H 1 3.966 . . 1 . . . . 12 LEU HA . 15099 1
80 . 1 1 12 12 LEU HB2 H 1 1.980 . . 2 . . . . 12 LEU HB1 . 15099 1
81 . 1 1 12 12 LEU HD11 H 1 0.813 . . 2 . . . . 12 LEU HD1 . 15099 1
82 . 1 1 12 12 LEU HD12 H 1 0.813 . . 2 . . . . 12 LEU HD1 . 15099 1
83 . 1 1 12 12 LEU HD13 H 1 0.813 . . 2 . . . . 12 LEU HD1 . 15099 1
84 . 1 1 12 12 LEU CA C 13 56.50 . . 1 . . . . 12 LEU CA . 15099 1
85 . 1 1 13 13 LYS H H 1 7.753 . . 1 . . . . 13 LYS HN . 15099 1
86 . 1 1 13 13 LYS HA H 1 3.961 . . 1 . . . . 13 LYS HA . 15099 1
87 . 1 1 13 13 LYS HB2 H 1 1.808 . . 2 . . . . 13 LYS HB1 . 15099 1
88 . 1 1 13 13 LYS HE2 H 1 2.919 . . 2 . . . . 13 LYS HE1 . 15099 1
89 . 1 1 13 13 LYS CA C 13 57.80 . . 1 . . . . 13 LYS CA . 15099 1
90 . 1 1 13 13 LYS CB C 13 31.10 . . 1 . . . . 13 LYS CB . 15099 1
91 . 1 1 14 14 VAL H H 1 7.337 . . 1 . . . . 14 VAL HN . 15099 1
92 . 1 1 14 14 VAL HA H 1 3.943 . . 1 . . . . 14 VAL HA . 15099 1
93 . 1 1 14 14 VAL HB H 1 2.258 . . 1 . . . . 14 VAL HB . 15099 1
94 . 1 1 14 14 VAL HG11 H 1 1.002 . . 2 . . . . 14 VAL HG1 . 15099 1
95 . 1 1 14 14 VAL HG12 H 1 1.002 . . 2 . . . . 14 VAL HG1 . 15099 1
96 . 1 1 14 14 VAL HG13 H 1 1.002 . . 2 . . . . 14 VAL HG1 . 15099 1
97 . 1 1 14 14 VAL CA C 13 63.00 . . 1 . . . . 14 VAL CA . 15099 1
98 . 1 1 14 14 VAL CB C 13 30.80 . . 1 . . . . 14 VAL CB . 15099 1
99 . 1 1 15 15 LEU H H 1 7.653 . . 1 . . . . 15 LEU HN . 15099 1
100 . 1 1 15 15 LEU HA H 1 4.059 . . 1 . . . . 15 LEU HA . 15099 1
101 . 1 1 15 15 LEU HB2 H 1 1.800 . . 2 . . . . 15 LEU HB1 . 15099 1
102 . 1 1 15 15 LEU HD11 H 1 0.829 . . 2 . . . . 15 LEU HD1 . 15099 1
103 . 1 1 15 15 LEU HD12 H 1 0.829 . . 2 . . . . 15 LEU HD1 . 15099 1
104 . 1 1 15 15 LEU HD13 H 1 0.829 . . 2 . . . . 15 LEU HD1 . 15099 1
105 . 1 1 15 15 LEU CA C 13 55.00 . . 1 . . . . 15 LEU CA . 15099 1
106 . 1 1 15 15 LEU CB C 13 40.40 . . 1 . . . . 15 LEU CB . 15099 1
stop_
save_