###################################
# 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 26051
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $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' . . . 26051 1
2 '2D 1H-1H NOESY' . . . 26051 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 ASP HA H 1 4.389 0.000 . 1 . . . A 1 ASP HA . 26051 1
2 . 1 1 1 1 ASP HB2 H 1 2.983 0.000 . 2 . . . A 1 ASP HB2 . 26051 1
3 . 1 1 1 1 ASP HB3 H 1 2.890 0.000 . 2 . . . A 1 ASP HB3 . 26051 1
4 . 1 1 2 2 ARG H H 1 8.940 0.001 . 1 . . . A 2 ARG H . 26051 1
5 . 1 1 2 2 ARG HA H 1 4.447 0.001 . 1 . . . A 2 ARG HA . 26051 1
6 . 1 1 2 2 ARG HB2 H 1 1.961 0.000 . 2 . . . A 2 ARG HB2 . 26051 1
7 . 1 1 2 2 ARG HB3 H 1 1.893 0.003 . 2 . . . A 2 ARG HB3 . 26051 1
8 . 1 1 2 2 ARG HG2 H 1 1.744 0.002 . 4 . . . A 2 ARG HG2 . 26051 1
9 . 1 1 2 2 ARG HG3 H 1 1.744 0.002 . 4 . . . A 2 ARG HG3 . 26051 1
10 . 1 1 3 3 GLN H H 1 8.713 0.005 . 1 . . . A 3 GLN H . 26051 1
11 . 1 1 3 3 GLN HA H 1 4.446 0.003 . 1 . . . A 3 GLN HA . 26051 1
12 . 1 1 3 3 GLN HB2 H 1 2.148 0.005 . 2 . . . A 3 GLN HB2 . 26051 1
13 . 1 1 3 3 GLN HB3 H 1 2.093 0.000 . 2 . . . A 3 GLN HB3 . 26051 1
14 . 1 1 3 3 GLN HG2 H 1 2.440 0.002 . 4 . . . A 3 GLN HG2 . 26051 1
15 . 1 1 3 3 GLN HG3 H 1 2.440 0.002 . 4 . . . A 3 GLN HG3 . 26051 1
16 . 1 1 4 4 ILE H H 1 8.461 0.003 . 1 . . . A 4 ILE H . 26051 1
17 . 1 1 4 4 ILE HA H 1 4.233 0.003 . 1 . . . A 4 ILE HA . 26051 1
18 . 1 1 4 4 ILE HB H 1 1.942 0.001 . 1 . . . A 4 ILE HB . 26051 1
19 . 1 1 4 4 ILE HG12 H 1 1.573 0.000 . 2 . . . A 4 ILE HG11 . 26051 1
20 . 1 1 4 4 ILE HG13 H 1 1.292 0.002 . 1 . . . A 4 ILE HG12 . 26051 1
21 . 1 1 4 4 ILE HG21 H 1 0.975 0.000 . 2 . . . A 4 ILE HG21 . 26051 1
22 . 1 1 4 4 ILE HG22 H 1 0.975 0.000 . 1 . . . A 4 ILE HG22 . 26051 1
23 . 1 1 4 4 ILE HG23 H 1 0.975 0.000 . 1 . . . A 4 ILE HG23 . 26051 1
24 . 1 1 4 4 ILE HD11 H 1 0.898 0.000 . 1 . . . A 4 ILE HD11 . 26051 1
25 . 1 1 4 4 ILE HD12 H 1 0.898 0.000 . 1 . . . A 4 ILE HD12 . 26051 1
26 . 1 1 4 4 ILE HD13 H 1 0.898 0.000 . 1 . . . A 4 ILE HD13 . 26051 1
27 . 1 1 5 5 LYS H H 1 8.535 0.005 . 1 . . . A 5 LYS H . 26051 1
28 . 1 1 5 5 LYS HA H 1 4.368 0.004 . 1 . . . A 5 LYS HA . 26051 1
29 . 1 1 5 5 LYS HB2 H 1 1.736 0.000 . 2 . . . A 5 LYS HB2 . 26051 1
30 . 1 1 5 5 LYS HB3 H 1 1.736 0.000 . 2 . . . A 5 LYS HB3 . 26051 1
31 . 1 1 5 5 LYS HG2 H 1 1.289 0.000 . 4 . . . A 5 LYS HG2 . 26051 1
32 . 1 1 5 5 LYS HG3 H 1 1.289 0.000 . 4 . . . A 5 LYS HG3 . 26051 1
33 . 1 1 5 5 LYS HD2 H 1 1.385 0.000 . 4 . . . A 5 LYS HD2 . 26051 1
34 . 1 1 5 5 LYS HD3 H 1 1.385 0.000 . 4 . . . A 5 LYS HD3 . 26051 1
35 . 1 1 6 6 ILE H H 1 8.277 0.005 . 1 . . . A 6 ILE H . 26051 1
36 . 1 1 6 6 ILE HA H 1 4.209 0.003 . 1 . . . A 6 ILE HA . 26051 1
37 . 1 1 6 6 ILE HB H 1 1.851 0.001 . 1 . . . A 6 ILE HB . 26051 1
38 . 1 1 6 6 ILE HG12 H 1 1.506 0.004 . 2 . . . A 6 ILE HG11 . 26051 1
39 . 1 1 6 6 ILE HG13 H 1 1.229 0.000 . 1 . . . A 6 ILE HG12 . 26051 1
40 . 1 1 6 6 ILE HG21 H 1 0.923 0.000 . 2 . . . A 6 ILE HG21 . 26051 1
41 . 1 1 6 6 ILE HG22 H 1 0.923 0.000 . 1 . . . A 6 ILE HG22 . 26051 1
42 . 1 1 6 6 ILE HG23 H 1 0.923 0.000 . 1 . . . A 6 ILE HG23 . 26051 1
43 . 1 1 6 6 ILE HD11 H 1 0.850 0.004 . 1 . . . A 6 ILE HD11 . 26051 1
44 . 1 1 6 6 ILE HD12 H 1 0.850 0.004 . 1 . . . A 6 ILE HD12 . 26051 1
45 . 1 1 6 6 ILE HD13 H 1 0.850 0.004 . 1 . . . A 6 ILE HD13 . 26051 1
46 . 1 1 7 7 TRP H H 1 8.389 0.005 . 1 . . . A 7 TRP H . 26051 1
47 . 1 1 7 7 TRP HA H 1 4.716 0.002 . 1 . . . A 7 TRP HA . 26051 1
48 . 1 1 7 7 TRP HB2 H 1 3.300 0.000 . 2 . . . A 7 TRP HB2 . 26051 1
49 . 1 1 7 7 TRP HB3 H 1 3.255 0.001 . 2 . . . A 7 TRP HB3 . 26051 1
50 . 1 1 7 7 TRP HD1 H 1 7.267 0.003 . 4 . . . A 7 TRP HD1 . 26051 1
51 . 1 1 7 7 TRP HE3 H 1 7.648 0.002 . 4 . . . A 7 TRP HE3 . 26051 1
52 . 1 1 8 8 PHE H H 1 8.195 0.002 . 1 . . . A 8 PHE H . 26051 1
53 . 1 1 8 8 PHE HA H 1 4.582 0.004 . 1 . . . A 8 PHE HA . 26051 1
54 . 1 1 8 8 PHE HB2 H 1 3.112 0.003 . 2 . . . A 8 PHE HB2 . 26051 1
55 . 1 1 8 8 PHE HB3 H 1 3.022 0.001 . 2 . . . A 8 PHE HB3 . 26051 1
56 . 1 1 8 8 PHE HD1 H 1 7.278 0.000 . 3 . . . A 8 PHE HD1 . 26051 1
57 . 1 1 8 8 PHE HD2 H 1 7.278 0.000 . 3 . . . A 8 PHE HD2 . 26051 1
58 . 1 1 9 9 GLN H H 1 8.362 0.002 . 1 . . . A 9 GLN H . 26051 1
59 . 1 1 9 9 GLN HA H 1 4.213 0.005 . 1 . . . A 9 GLN HA . 26051 1
60 . 1 1 9 9 GLN HB2 H 1 2.096 0.000 . 2 . . . A 9 GLN HB2 . 26051 1
61 . 1 1 9 9 GLN HB3 H 1 2.002 0.003 . 2 . . . A 9 GLN HB3 . 26051 1
62 . 1 1 9 9 GLN HG2 H 1 2.325 0.002 . 4 . . . A 9 GLN HG2 . 26051 1
63 . 1 1 9 9 GLN HG3 H 1 2.325 0.002 . 4 . . . A 9 GLN HG3 . 26051 1
64 . 1 1 9 9 GLN HE21 H 1 7.657 0.003 . 2 . . . A 9 GLN HE21 . 26051 1
65 . 1 1 9 9 GLN HE22 H 1 7.285 0.001 . 2 . . . A 9 GLN HE22 . 26051 1
66 . 1 1 10 10 ASN H H 1 8.560 0.005 . 1 . . . A 10 ASN H . 26051 1
67 . 1 1 10 10 ASN HA H 1 4.712 0.002 . 1 . . . A 10 ASN HA . 26051 1
68 . 1 1 10 10 ASN HB2 H 1 2.964 0.000 . 2 . . . A 10 ASN HB2 . 26051 1
69 . 1 1 10 10 ASN HB3 H 1 2.881 0.001 . 2 . . . A 10 ASN HB3 . 26051 1
70 . 1 1 10 10 ASN HD21 H 1 7.795 0.000 . 2 . . . A 10 ASN HD21 . 26051 1
71 . 1 1 10 10 ASN HD22 H 1 7.106 0.001 . 2 . . . A 10 ASN HD22 . 26051 1
72 . 1 1 11 11 ARG H H 1 8.407 0.004 . 1 . . . A 11 ARG H . 26051 1
73 . 1 1 11 11 ARG HA H 1 4.340 0.000 . 1 . . . A 11 ARG HA . 26051 1
74 . 1 1 11 11 ARG HB2 H 1 1.841 0.000 . 2 . . . A 11 ARG HB2 . 26051 1
75 . 1 1 11 11 ARG HB3 H 1 1.841 0.000 . 2 . . . A 11 ARG HB3 . 26051 1
76 . 1 1 11 11 ARG HG2 H 1 1.687 0.000 . 4 . . . A 11 ARG HG2 . 26051 1
77 . 1 1 11 11 ARG HG3 H 1 1.687 0.000 . 4 . . . A 11 ARG HG3 . 26051 1
78 . 1 1 12 12 ARG H H 1 8.459 0.001 . 1 . . . A 12 ARG H . 26051 1
79 . 1 1 12 12 ARG HA H 1 4.366 0.005 . 1 . . . A 12 ARG HA . 26051 1
80 . 1 1 12 12 ARG HB2 H 1 1.842 0.000 . 2 . . . A 12 ARG HB2 . 26051 1
81 . 1 1 12 12 ARG HB3 H 1 1.842 0.000 . 2 . . . A 12 ARG HB3 . 26051 1
82 . 1 1 12 12 ARG HG2 H 1 1.699 0.000 . 4 . . . A 12 ARG HG2 . 26051 1
83 . 1 1 12 12 ARG HG3 H 1 1.699 0.000 . 4 . . . A 12 ARG HG3 . 26051 1
84 . 1 1 13 13 MET H H 1 8.411 0.004 . 1 . . . A 13 MET H . 26051 1
85 . 1 1 13 13 MET HA H 1 4.362 0.002 . 1 . . . A 13 MET HA . 26051 1
86 . 1 1 13 13 MET HB2 H 1 2.013 0.005 . 2 . . . A 13 MET HB2 . 26051 1
87 . 1 1 13 13 MET HB3 H 1 2.013 0.005 . 2 . . . A 13 MET HB3 . 26051 1
88 . 1 1 13 13 MET HG2 H 1 2.594 0.003 . 2 . . . A 13 MET HG2 . 26051 1
89 . 1 1 13 13 MET HG3 H 1 2.551 0.000 . 2 . . . A 13 MET HG3 . 26051 1
90 . 1 1 14 14 LYS H H 1 8.414 0.000 . 1 . . . A 14 LYS H . 26051 1
91 . 1 1 14 14 LYS HA H 1 4.501 0.005 . 1 . . . A 14 LYS HA . 26051 1
92 . 1 1 14 14 LYS HB2 H 1 1.755 0.006 . 2 . . . A 14 LYS HB2 . 26051 1
93 . 1 1 14 14 LYS HB3 H 1 1.755 0.006 . 2 . . . A 14 LYS HB3 . 26051 1
94 . 1 1 14 14 LYS HG2 H 1 1.411 0.000 . 4 . . . A 14 LYS HG2 . 26051 1
95 . 1 1 14 14 LYS HG3 H 1 1.411 0.000 . 4 . . . A 14 LYS HG3 . 26051 1
96 . 1 1 15 15 TRP H H 1 8.273 0.000 . 1 . . . A 15 TRP H . 26051 1
97 . 1 1 15 15 TRP HA H 1 4.763 0.004 . 1 . . . A 15 TRP HA . 26051 1
98 . 1 1 15 15 TRP HB2 H 1 3.381 0.001 . 2 . . . A 15 TRP HB2 . 26051 1
99 . 1 1 15 15 TRP HB3 H 1 3.332 0.000 . 2 . . . A 15 TRP HB3 . 26051 1
100 . 1 1 15 15 TRP HD1 H 1 7.351 0.002 . 4 . . . A 15 TRP HD1 . 26051 1
101 . 1 1 15 15 TRP HE3 H 1 7.709 0.003 . 4 . . . A 15 TRP HE3 . 26051 1
102 . 1 1 16 16 LYS H H 1 8.137 0.005 . 1 . . . A 16 LYS H . 26051 1
103 . 1 1 16 16 LYS HA H 1 4.335 0.003 . 1 . . . A 16 LYS HA . 26051 1
104 . 1 1 16 16 LYS HB2 H 1 1.852 0.005 . 2 . . . A 16 LYS HB2 . 26051 1
105 . 1 1 16 16 LYS HB3 H 1 1.852 0.005 . 2 . . . A 16 LYS HB3 . 26051 1
106 . 1 1 16 16 LYS HG2 H 1 1.707 0.000 . 4 . . . A 16 LYS HG2 . 26051 1
107 . 1 1 16 16 LYS HG3 H 1 1.707 0.000 . 4 . . . A 16 LYS HG3 . 26051 1
108 . 1 1 17 17 LYS HB2 H 1 1.798 0.000 . 2 . . . A 17 LYS HB2 . 26051 1
109 . 1 1 17 17 LYS HB3 H 1 1.798 0.000 . 2 . . . A 17 LYS HB3 . 26051 1
110 . 1 1 17 17 LYS HG2 H 1 1.843 0.000 . 4 . . . A 17 LYS HG2 . 26051 1
111 . 1 1 17 17 LYS HG3 H 1 1.843 0.000 . 4 . . . A 17 LYS HG3 . 26051 1
112 . 1 1 17 17 LYS HD2 H 1 1.492 0.000 . 4 . . . A 17 LYS HD2 . 26051 1
113 . 1 1 17 17 LYS HD3 H 1 1.492 0.000 . 4 . . . A 17 LYS HD3 . 26051 1
stop_
save_