###################################
# 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 36149
_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 $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-1H TOCSY' 1 $sample_1 isotropic 36149 1
2 '2D trNOESY' 1 $sample_1 isotropic 36149 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.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 1 1 LYS HA H 1 3.722 0.000 . 1 . . . . A 1 LYS HA . 36149 1
2 . 1 1 1 1 LYS HB2 H 1 1.980 0.000 . 1 . . . . A 1 LYS HB2 . 36149 1
3 . 1 1 1 1 LYS HB3 H 1 1.861 0.000 . 1 . . . . A 1 LYS HB3 . 36149 1
4 . 1 1 1 1 LYS HG2 H 1 1.358 0.000 . 2 . . . . A 1 LYS HG2 . 36149 1
5 . 1 1 1 1 LYS HG3 H 1 1.358 0.000 . 2 . . . . A 1 LYS HG3 . 36149 1
6 . 1 1 2 2 ASN H H 1 8.329 0.014 . 1 . . . . A 2 ASN H . 36149 1
7 . 1 1 2 2 ASN HA H 1 4.748 0.026 . 1 . . . . A 2 ASN HA . 36149 1
8 . 1 1 2 2 ASN HB2 H 1 2.876 0.004 . 2 . . . . A 2 ASN HB2 . 36149 1
9 . 1 1 2 2 ASN HB3 H 1 2.876 0.004 . 2 . . . . A 2 ASN HB3 . 36149 1
10 . 1 1 3 3 LYS H H 1 8.636 0.010 . 1 . . . . A 3 LYS H . 36149 1
11 . 1 1 3 3 LYS HA H 1 4.340 0.000 . 1 . . . . A 3 LYS HA . 36149 1
12 . 1 1 3 3 LYS HB2 H 1 1.866 0.001 . 1 . . . . A 3 LYS HB2 . 36149 1
13 . 1 1 3 3 LYS HB3 H 1 1.755 0.003 . 1 . . . . A 3 LYS HB3 . 36149 1
14 . 1 1 3 3 LYS HG2 H 1 1.468 0.001 . 2 . . . . A 3 LYS HG2 . 36149 1
15 . 1 1 3 3 LYS HG3 H 1 1.468 0.001 . 2 . . . . A 3 LYS HG3 . 36149 1
16 . 1 1 3 3 LYS HE2 H 1 3.006 0.001 . 2 . . . . A 3 LYS HE2 . 36149 1
17 . 1 1 3 3 LYS HE3 H 1 3.006 0.001 . 2 . . . . A 3 LYS HE3 . 36149 1
18 . 1 1 4 4 SER H H 1 8.404 0.006 . 1 . . . . A 4 SER H . 36149 1
19 . 1 1 4 4 SER HA H 1 4.422 0.008 . 1 . . . . A 4 SER HA . 36149 1
20 . 1 1 4 4 SER HB2 H 1 3.878 0.004 . 2 . . . . A 4 SER HB2 . 36149 1
21 . 1 1 4 4 SER HB3 H 1 3.878 0.004 . 2 . . . . A 4 SER HB3 . 36149 1
22 . 1 1 5 5 ARG H H 1 8.513 0.006 . 1 . . . . A 5 ARG H . 36149 1
23 . 1 1 5 5 ARG HA H 1 4.363 0.004 . 1 . . . . A 5 ARG HA . 36149 1
24 . 1 1 5 5 ARG HB2 H 1 1.860 0.005 . 1 . . . . A 5 ARG HB2 . 36149 1
25 . 1 1 5 5 ARG HB3 H 1 1.743 0.003 . 1 . . . . A 5 ARG HB3 . 36149 1
26 . 1 1 5 5 ARG HG2 H 1 1.620 0.006 . 2 . . . . A 5 ARG HG2 . 36149 1
27 . 1 1 5 5 ARG HG3 H 1 1.620 0.006 . 2 . . . . A 5 ARG HG3 . 36149 1
28 . 1 1 5 5 ARG HD2 H 1 3.188 0.009 . 2 . . . . A 5 ARG HD2 . 36149 1
29 . 1 1 5 5 ARG HD3 H 1 3.188 0.009 . 2 . . . . A 5 ARG HD3 . 36149 1
30 . 1 1 6 6 VAL H H 1 8.168 0.014 . 1 . . . . A 6 VAL H . 36149 1
31 . 1 1 6 6 VAL HA H 1 4.071 0.007 . 1 . . . . A 6 VAL HA . 36149 1
32 . 1 1 6 6 VAL HB H 1 2.030 0.019 . 1 . . . . A 6 VAL HB . 36149 1
33 . 1 1 6 6 VAL HG11 H 1 0.924 0.007 . 2 . . . . A 6 VAL HG11 . 36149 1
34 . 1 1 6 6 VAL HG12 H 1 0.924 0.007 . 2 . . . . A 6 VAL HG12 . 36149 1
35 . 1 1 6 6 VAL HG13 H 1 0.924 0.007 . 2 . . . . A 6 VAL HG13 . 36149 1
36 . 1 1 6 6 VAL HG21 H 1 0.924 0.007 . 2 . . . . A 6 VAL HG21 . 36149 1
37 . 1 1 6 6 VAL HG22 H 1 0.924 0.007 . 2 . . . . A 6 VAL HG22 . 36149 1
38 . 1 1 6 6 VAL HG23 H 1 0.924 0.007 . 2 . . . . A 6 VAL HG23 . 36149 1
39 . 1 1 7 7 ALA H H 1 8.392 0.003 . 1 . . . . A 7 ALA H . 36149 1
40 . 1 1 7 7 ALA HA H 1 4.317 0.000 . 1 . . . . A 7 ALA HA . 36149 1
41 . 1 1 7 7 ALA HB1 H 1 1.363 0.015 . 1 . . . . A 7 ALA HB1 . 36149 1
42 . 1 1 7 7 ALA HB2 H 1 1.363 0.015 . 1 . . . . A 7 ALA HB2 . 36149 1
43 . 1 1 7 7 ALA HB3 H 1 1.363 0.015 . 1 . . . . A 7 ALA HB3 . 36149 1
44 . 1 1 8 8 ARG H H 1 8.089 0.014 . 1 . . . . A 8 ARG H . 36149 1
45 . 1 1 8 8 ARG HA H 1 4.287 0.000 . 1 . . . . A 8 ARG HA . 36149 1
46 . 1 1 8 8 ARG HB2 H 1 1.842 0.000 . 1 . . . . A 8 ARG HB2 . 36149 1
47 . 1 1 8 8 ARG HB3 H 1 1.720 0.000 . 1 . . . . A 8 ARG HB3 . 36149 1
48 . 1 1 8 8 ARG HG2 H 1 1.603 0.005 . 2 . . . . A 8 ARG HG2 . 36149 1
49 . 1 1 8 8 ARG HG3 H 1 1.603 0.005 . 2 . . . . A 8 ARG HG3 . 36149 1
50 . 1 1 8 8 ARG HD2 H 1 3.006 0.006 . 2 . . . . A 8 ARG HD2 . 36149 1
51 . 1 1 8 8 ARG HD3 H 1 3.006 0.006 . 2 . . . . A 8 ARG HD3 . 36149 1
52 . 1 1 9 9 GLY H H 1 8.398 0.007 . 1 . . . . A 9 GLY H . 36149 1
53 . 1 1 9 9 GLY HA2 H 1 3.913 0.004 . 2 . . . . A 9 GLY HA2 . 36149 1
54 . 1 1 9 9 GLY HA3 H 1 3.913 0.004 . 2 . . . . A 9 GLY HA3 . 36149 1
55 . 1 1 10 10 TRP H H 1 8.102 0.001 . 1 . . . . A 10 TRP H . 36149 1
56 . 1 1 10 10 TRP HA H 1 4.662 0.010 . 1 . . . . A 10 TRP HA . 36149 1
57 . 1 1 10 10 TRP HB2 H 1 3.351 0.001 . 1 . . . . A 10 TRP HB2 . 36149 1
58 . 1 1 10 10 TRP HB3 H 1 3.252 0.001 . 1 . . . . A 10 TRP HB3 . 36149 1
59 . 1 1 10 10 TRP HD1 H 1 7.298 0.004 . 1 . . . . A 10 TRP HD1 . 36149 1
60 . 1 1 10 10 TRP HE3 H 1 7.620 0.002 . 1 . . . . A 10 TRP HE3 . 36149 1
61 . 1 1 10 10 TRP HZ2 H 1 7.501 0.000 . 1 . . . . A 10 TRP HZ2 . 36149 1
62 . 1 1 10 10 TRP HH2 H 1 7.251 0.004 . 1 . . . . A 10 TRP HH2 . 36149 1
63 . 1 1 11 11 GLY H H 1 8.346 0.001 . 1 . . . . A 11 GLY H . 36149 1
64 . 1 1 11 11 GLY HA2 H 1 3.860 0.002 . 1 . . . . A 11 GLY HA2 . 36149 1
65 . 1 1 11 11 GLY HA3 H 1 3.808 0.006 . 1 . . . . A 11 GLY HA3 . 36149 1
66 . 1 1 12 12 ARG H H 1 8.326 0.004 . 1 . . . . A 12 ARG H . 36149 1
67 . 1 1 12 12 ARG HA H 1 4.311 0.000 . 1 . . . . A 12 ARG HA . 36149 1
68 . 1 1 12 12 ARG HB2 H 1 1.737 0.000 . 2 . . . . A 12 ARG HB2 . 36149 1
69 . 1 1 12 12 ARG HB3 H 1 1.737 0.000 . 2 . . . . A 12 ARG HB3 . 36149 1
70 . 1 1 12 12 ARG HG2 H 1 1.585 0.004 . 2 . . . . A 12 ARG HG2 . 36149 1
71 . 1 1 12 12 ARG HG3 H 1 1.585 0.004 . 2 . . . . A 12 ARG HG3 . 36149 1
72 . 1 1 12 12 ARG HD2 H 1 3.135 0.000 . 2 . . . . A 12 ARG HD2 . 36149 1
73 . 1 1 12 12 ARG HD3 H 1 3.135 0.000 . 2 . . . . A 12 ARG HD3 . 36149 1
74 . 1 1 13 13 LYS H H 1 8.451 0.009 . 1 . . . . A 13 LYS H . 36149 1
75 . 1 1 13 13 LYS HA H 1 4.322 0.000 . 1 . . . . A 13 LYS HA . 36149 1
76 . 1 1 13 13 LYS HB2 H 1 1.833 0.000 . 1 . . . . A 13 LYS HB2 . 36149 1
77 . 1 1 13 13 LYS HB3 H 1 1.673 0.000 . 1 . . . . A 13 LYS HB3 . 36149 1
78 . 1 1 13 13 LYS HG2 H 1 1.382 0.000 . 2 . . . . A 13 LYS HG2 . 36149 1
79 . 1 1 13 13 LYS HG3 H 1 1.382 0.000 . 2 . . . . A 13 LYS HG3 . 36149 1
80 . 1 1 13 13 LYS HE2 H 1 2.989 0.000 . 2 . . . . A 13 LYS HE2 . 36149 1
81 . 1 1 13 13 LYS HE3 H 1 2.989 0.000 . 2 . . . . A 13 LYS HE3 . 36149 1
82 . 1 1 14 14 CYS H H 1 8.450 0.010 . 1 . . . . A 14 CYS H . 36149 1
83 . 1 1 14 14 CYS HA H 1 4.736 0.001 . 1 . . . . A 14 CYS HA . 36149 1
84 . 1 1 14 14 CYS HB2 H 1 3.199 0.000 . 1 . . . . A 14 CYS HB2 . 36149 1
85 . 1 1 14 14 CYS HB3 H 1 2.882 0.000 . 1 . . . . A 14 CYS HB3 . 36149 1
86 . 1 1 15 15 PRO HA H 1 4.360 0.000 . 1 . . . . A 15 PRO HA . 36149 1
87 . 1 1 15 15 PRO HB2 H 1 2.207 0.000 . 1 . . . . A 15 PRO HB2 . 36149 1
88 . 1 1 15 15 PRO HB3 H 1 1.976 0.001 . 1 . . . . A 15 PRO HB3 . 36149 1
89 . 1 1 15 15 PRO HD2 H 1 3.727 0.002 . 2 . . . . A 15 PRO HD2 . 36149 1
90 . 1 1 15 15 PRO HD3 H 1 3.727 0.002 . 2 . . . . A 15 PRO HD3 . 36149 1
91 . 1 1 16 16 LEU H H 1 8.096 0.004 . 1 . . . . A 16 LEU H . 36149 1
92 . 1 1 16 16 LEU HA H 1 4.203 0.003 . 1 . . . . A 16 LEU HA . 36149 1
93 . 1 1 16 16 LEU HB2 H 1 1.481 0.000 . 2 . . . . A 16 LEU HB2 . 36149 1
94 . 1 1 16 16 LEU HB3 H 1 1.481 0.000 . 2 . . . . A 16 LEU HB3 . 36149 1
95 . 1 1 16 16 LEU HG H 1 1.394 0.007 . 1 . . . . A 16 LEU HG . 36149 1
96 . 1 1 16 16 LEU HD11 H 1 0.854 0.001 . 2 . . . . A 16 LEU HD11 . 36149 1
97 . 1 1 16 16 LEU HD12 H 1 0.854 0.001 . 2 . . . . A 16 LEU HD12 . 36149 1
98 . 1 1 16 16 LEU HD13 H 1 0.854 0.001 . 2 . . . . A 16 LEU HD13 . 36149 1
99 . 1 1 16 16 LEU HD21 H 1 0.854 0.001 . 2 . . . . A 16 LEU HD21 . 36149 1
100 . 1 1 16 16 LEU HD22 H 1 0.854 0.001 . 2 . . . . A 16 LEU HD22 . 36149 1
101 . 1 1 16 16 LEU HD23 H 1 0.854 0.001 . 2 . . . . A 16 LEU HD23 . 36149 1
102 . 1 1 17 17 PHE H H 1 8.064 0.020 . 1 . . . . A 17 PHE H . 36149 1
103 . 1 1 17 17 PHE HA H 1 4.705 0.002 . 1 . . . . A 17 PHE HA . 36149 1
104 . 1 1 17 17 PHE HB2 H 1 3.225 0.004 . 1 . . . . A 17 PHE HB2 . 36149 1
105 . 1 1 17 17 PHE HB3 H 1 3.017 0.004 . 1 . . . . A 17 PHE HB3 . 36149 1
106 . 1 1 17 17 PHE HE1 H 1 7.350 0.001 . 1 . . . . A 17 PHE HE1 . 36149 1
107 . 1 1 17 17 PHE HE2 H 1 7.350 0.001 . 1 . . . . A 17 PHE HE2 . 36149 1
108 . 1 1 18 18 GLY H H 1 7.932 0.017 . 1 . . . . A 18 GLY H . 36149 1
109 . 1 1 18 18 GLY HA2 H 1 3.757 0.000 . 2 . . . . A 18 GLY HA2 . 36149 1
110 . 1 1 18 18 GLY HA3 H 1 3.757 0.000 . 2 . . . . A 18 GLY HA3 . 36149 1
stop_
save_