Content for NMR-STAR saveframe, assigned_chemical_shifts_1
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 36317
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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-13C HSQC' 1 $sample_1 isotropic 36317 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36317 1
3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36317 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 1 1 LEU HA H 1 4.466 0.003 . 1 . . 45 . A 1 LEU HA . 36317 1
2 . 1 . 1 1 1 LEU HB2 H 1 1.708 0.003 . 2 . . 49 . A 1 LEU HB2 . 36317 1
3 . 1 . 1 1 1 LEU HB3 H 1 1.560 0.003 . 2 . . 50 . A 1 LEU HB3 . 36317 1
4 . 1 . 1 1 1 LEU HG H 1 1.492 0.003 . 1 . . 51 . A 1 LEU HG . 36317 1
5 . 1 . 1 1 1 LEU HD11 H 1 0.678 0.002 . 2 . . 47 . A 1 LEU HD11 . 36317 1
6 . 1 . 1 1 1 LEU HD12 H 1 0.678 0.002 . 2 . . 47 . A 1 LEU HD12 . 36317 1
7 . 1 . 1 1 1 LEU HD13 H 1 0.678 0.002 . 2 . . 47 . A 1 LEU HD13 . 36317 1
8 . 1 . 1 1 1 LEU HD21 H 1 0.934 0.002 . 2 . . 48 . A 1 LEU HD21 . 36317 1
9 . 1 . 1 1 1 LEU HD22 H 1 0.934 0.002 . 2 . . 48 . A 1 LEU HD22 . 36317 1
10 . 1 . 1 1 1 LEU HD23 H 1 0.934 0.002 . 2 . . 48 . A 1 LEU HD23 . 36317 1
11 . 1 . 1 1 1 LEU H1 H 1 8.340 0.002 . 1 . . 44 . A 1 LEU H1 . 36317 1
12 . 1 . 1 2 2 VAL H H 1 8.546 0.003 . 1 . . 19 . A 2 VAL H . 36317 1
13 . 1 . 1 2 2 VAL HA H 1 4.173 0.002 . 1 . . 20 . A 2 VAL HA . 36317 1
14 . 1 . 1 2 2 VAL HB H 1 1.722 0.005 . 1 . . 21 . A 2 VAL HB . 36317 1
15 . 1 . 1 2 2 VAL HG11 H 1 1.075 0.004 . 2 . . 22 . A 2 VAL HG11 . 36317 1
16 . 1 . 1 2 2 VAL HG12 H 1 1.075 0.004 . 2 . . 22 . A 2 VAL HG12 . 36317 1
17 . 1 . 1 2 2 VAL HG13 H 1 1.075 0.004 . 2 . . 22 . A 2 VAL HG13 . 36317 1
18 . 1 . 1 2 2 VAL HG21 H 1 0.707 0.003 . 2 . . 23 . A 2 VAL HG21 . 36317 1
19 . 1 . 1 2 2 VAL HG22 H 1 0.707 0.003 . 2 . . 23 . A 2 VAL HG22 . 36317 1
20 . 1 . 1 2 2 VAL HG23 H 1 0.707 0.003 . 2 . . 23 . A 2 VAL HG23 . 36317 1
21 . 1 . 1 3 3 VAL H H 1 8.095 0.002 . 1 . . 14 . A 3 VAL H . 36317 1
22 . 1 . 1 3 3 VAL HA H 1 4.305 0.003 . 1 . . 15 . A 3 VAL HA . 36317 1
23 . 1 . 1 3 3 VAL HB H 1 2.100 0.002 . 1 . . 16 . A 3 VAL HB . 36317 1
24 . 1 . 1 3 3 VAL HG11 H 1 0.904 0.003 . 1 . . 17 . A 3 VAL HG11 . 36317 1
25 . 1 . 1 3 3 VAL HG12 H 1 0.904 0.003 . 1 . . 17 . A 3 VAL HG12 . 36317 1
26 . 1 . 1 3 3 VAL HG13 H 1 0.904 0.003 . 1 . . 17 . A 3 VAL HG13 . 36317 1
27 . 1 . 1 3 3 VAL HG21 H 1 0.904 0.003 . 1 . . 18 . A 3 VAL HG21 . 36317 1
28 . 1 . 1 3 3 VAL HG22 H 1 0.904 0.003 . 1 . . 18 . A 3 VAL HG22 . 36317 1
29 . 1 . 1 3 3 VAL HG23 H 1 0.904 0.003 . 1 . . 18 . A 3 VAL HG23 . 36317 1
30 . 1 . 1 4 4 ILE H H 1 9.663 0.001 . 1 . . 1 . A 4 ILE H . 36317 1
31 . 1 . 1 4 4 ILE HA H 1 4.399 0.002 . 1 . . 2 . A 4 ILE HA . 36317 1
32 . 1 . 1 4 4 ILE HB H 1 1.864 0.003 . 1 . . 5 . A 4 ILE HB . 36317 1
33 . 1 . 1 4 4 ILE HG12 H 1 1.220 0.006 . 2 . . 6 . A 4 ILE HG12 . 36317 1
34 . 1 . 1 4 4 ILE HG13 H 1 1.607 0.004 . 2 . . 8 . A 4 ILE HG13 . 36317 1
35 . 1 . 1 4 4 ILE HG21 H 1 1.074 0.002 . 1 . . 7 . A 4 ILE HG21 . 36317 1
36 . 1 . 1 4 4 ILE HG22 H 1 1.074 0.002 . 1 . . 7 . A 4 ILE HG22 . 36317 1
37 . 1 . 1 4 4 ILE HG23 H 1 1.074 0.002 . 1 . . 7 . A 4 ILE HG23 . 36317 1
38 . 1 . 1 4 4 ILE HD11 H 1 0.875 0.0 . 1 . . 9 . A 4 ILE HD11 . 36317 1
39 . 1 . 1 4 4 ILE HD12 H 1 0.875 0.0 . 1 . . 9 . A 4 ILE HD12 . 36317 1
40 . 1 . 1 4 4 ILE HD13 H 1 0.875 0.0 . 1 . . 9 . A 4 ILE HD13 . 36317 1
41 . 1 . 1 5 5 VAL H H 1 8.573 0.001 . 1 . . 24 . A 5 VAL H . 36317 1
42 . 1 . 1 5 5 VAL HA H 1 3.392 0.003 . 1 . . 25 . A 5 VAL HA . 36317 1
43 . 1 . 1 5 5 VAL HB H 1 3.450 0.004 . 1 . . 26 . A 5 VAL HB . 36317 1
44 . 1 . 1 5 5 VAL HG11 H 1 1.230 0.002 . 2 . . 27 . A 5 VAL HG11 . 36317 1
45 . 1 . 1 5 5 VAL HG12 H 1 1.230 0.002 . 2 . . 27 . A 5 VAL HG12 . 36317 1
46 . 1 . 1 5 5 VAL HG13 H 1 1.230 0.002 . 2 . . 27 . A 5 VAL HG13 . 36317 1
47 . 1 . 1 5 5 VAL HG21 H 1 1.061 0.005 . 2 . . 28 . A 5 VAL HG21 . 36317 1
48 . 1 . 1 5 5 VAL HG22 H 1 1.061 0.005 . 2 . . 28 . A 5 VAL HG22 . 36317 1
49 . 1 . 1 5 5 VAL HG23 H 1 1.061 0.005 . 2 . . 28 . A 5 VAL HG23 . 36317 1
50 . 1 . 1 6 6 GLN H H 1 8.539 0.005 . 1 . . 29 . A 6 GLN H . 36317 1
51 . 1 . 1 6 6 GLN HA H 1 4.620 0.001 . 1 . . 30 . A 6 GLN HA . 36317 1
52 . 1 . 1 6 6 GLN HB2 H 1 2.019 0.004 . 2 . . 39 . A 6 GLN HB2 . 36317 1
53 . 1 . 1 6 6 GLN HB3 H 1 2.067 0.005 . 2 . . 40 . A 6 GLN HB3 . 36317 1
54 . 1 . 1 6 6 GLN HG2 H 1 2.574 0.002 . 1 . . 41 . A 6 GLN HG2 . 36317 1
55 . 1 . 1 6 6 GLN HG3 H 1 2.574 0.002 . 1 . . 42 . A 6 GLN HG3 . 36317 1
56 . 1 . 1 7 7 ALA H H 1 6.788 0.005 . 1 . . 34 . A 7 ALA H . 36317 1
57 . 1 . 1 7 7 ALA HA H 1 3.868 0.003 . 1 . . 35 . A 7 ALA HA . 36317 1
58 . 1 . 1 7 7 ALA HB1 H 1 1.360 0.002 . 1 . . 36 . A 7 ALA HB1 . 36317 1
59 . 1 . 1 7 7 ALA HB2 H 1 1.360 0.002 . 1 . . 36 . A 7 ALA HB2 . 36317 1
60 . 1 . 1 7 7 ALA HB3 H 1 1.360 0.002 . 1 . . 36 . A 7 ALA HB3 . 36317 1
61 . 1 . 1 8 8 ASP H H 1 6.000 0.002 . 1 . . 3 . A 8 ASP H . 36317 1
62 . 1 . 1 8 8 ASP HA H 1 4.297 0.003 . 1 . . 4 . A 8 ASP HA . 36317 1
63 . 1 . 1 8 8 ASP HB2 H 1 3.205 0.002 . 2 . . 37 . A 8 ASP HB2 . 36317 1
64 . 1 . 1 8 8 ASP HB3 H 1 2.127 0.005 . 2 . . 38 . A 8 ASP HB3 . 36317 1
65 . 1 . 1 9 9 TRP H H 1 7.497 0.002 . 1 . . 57 . A 9 TRP H . 36317 1
66 . 1 . 1 9 9 TRP HA H 1 4.283 0.005 . 1 . . 58 . A 9 TRP HA . 36317 1
67 . 1 . 1 9 9 TRP HB2 H 1 3.065 0.001 . 2 . . 81 . A 9 TRP HB2 . 36317 1
68 . 1 . 1 9 9 TRP HB3 H 1 3.407 0.002 . 2 . . 82 . A 9 TRP HB3 . 36317 1
69 . 1 . 1 9 9 TRP HD1 H 1 7.305 0.003 . 1 . . 83 . A 9 TRP HD1 . 36317 1
70 . 1 . 1 9 9 TRP HE1 H 1 10.261 0.004 . 1 . . 76 . A 9 TRP HE1 . 36317 1
71 . 1 . 1 9 9 TRP HE3 H 1 7.551 0.001 . 1 . . 78 . A 9 TRP HE3 . 36317 1
72 . 1 . 1 9 9 TRP HZ2 H 1 7.475 0.001 . 1 . . 77 . A 9 TRP HZ2 . 36317 1
73 . 1 . 1 9 9 TRP HZ3 H 1 7.130 0.003 . 1 . . 79 . A 9 TRP HZ3 . 36317 1
74 . 1 . 1 9 9 TRP HH2 H 1 7.212 0.0 . 1 . . 80 . A 9 TRP HH2 . 36317 1
75 . 1 . 1 10 10 ASN H H 1 7.328 0.006 . 1 . . 54 . A 10 ASN H . 36317 1
76 . 1 . 1 10 10 ASN HA H 1 4.717 . . 1 . . 65 . A 10 ASN HA . 36317 1
77 . 1 . 1 10 10 ASN HB2 H 1 1.868 0.002 . 2 . . 55 . A 10 ASN HB2 . 36317 1
78 . 1 . 1 10 10 ASN HB3 H 1 1.950 0.003 . 2 . . 56 . A 10 ASN HB3 . 36317 1
79 . 1 . 1 10 10 ASN HD21 H 1 6.428 0.001 . 1 . . 63 . A 10 ASN HD21 . 36317 1
80 . 1 . 1 10 10 ASN HD22 H 1 6.936 0.003 . 1 . . 64 . A 10 ASN HD22 . 36317 1
81 . 1 . 1 11 11 ALA H H 1 7.958 0.001 . 1 . . 52 . A 11 ALA H . 36317 1
82 . 1 . 1 11 11 ALA HA H 1 4.632 0.001 . 1 . . 53 . A 11 ALA HA . 36317 1
83 . 1 . 1 11 11 ALA HB1 H 1 1.365 0.003 . 1 . . 66 . A 11 ALA HB1 . 36317 1
84 . 1 . 1 11 11 ALA HB2 H 1 1.365 0.003 . 1 . . 66 . A 11 ALA HB2 . 36317 1
85 . 1 . 1 11 11 ALA HB3 H 1 1.365 0.003 . 1 . . 66 . A 11 ALA HB3 . 36317 1
86 . 1 . 1 12 12 PRO HA H 1 4.237 0.003 . 1 . . 68 . A 12 PRO HA . 36317 1
87 . 1 . 1 12 12 PRO HB2 H 1 2.349 0.003 . 2 . . 69 . A 12 PRO HB2 . 36317 1
88 . 1 . 1 12 12 PRO HB3 H 1 1.933 0.008 . 2 . . 71 . A 12 PRO HB3 . 36317 1
89 . 1 . 1 12 12 PRO HG2 H 1 2.012 0.006 . 2 . . 73 . A 12 PRO HG2 . 36317 1
90 . 1 . 1 12 12 PRO HG3 H 1 1.956 0.002 . 2 . . 75 . A 12 PRO HG3 . 36317 1
91 . 1 . 1 12 12 PRO HD2 H 1 3.735 0.002 . 2 . . 67 . A 12 PRO HD2 . 36317 1
92 . 1 . 1 12 12 PRO HD3 H 1 3.632 0.003 . 2 . . 70 . A 12 PRO HD3 . 36317 1
93 . 1 . 1 12 12 PRO CB C 13 32.502 . . 1 . . 72 . A 12 PRO CB . 36317 1
94 . 1 . 1 12 12 PRO CG C 13 27.502 0.02 . 1 . . 74 . A 12 PRO CG . 36317 1
95 . 1 . 1 13 13 GLY H H 1 6.820 0.003 . 1 . . 31 . A 13 GLY H . 36317 1
96 . 1 . 1 13 13 GLY HA2 H 1 4.816 0.001 . 2 . . 32 . A 13 GLY HA2 . 36317 1
97 . 1 . 1 13 13 GLY HA3 H 1 2.894 0.004 . 2 . . 33 . A 13 GLY HA3 . 36317 1
98 . 1 . 1 14 14 PHE H H 1 8.472 0.003 . 1 . . 59 . A 14 PHE H . 36317 1
99 . 1 . 1 14 14 PHE HA H 1 4.299 0.001 . 1 . . 62 . A 14 PHE HA . 36317 1
100 . 1 . 1 14 14 PHE HB2 H 1 2.025 0.003 . 2 . . 60 . A 14 PHE HB2 . 36317 1
101 . 1 . 1 14 14 PHE HB3 H 1 2.112 0.003 . 2 . . 61 . A 14 PHE HB3 . 36317 1
102 . 1 . 1 14 14 PHE HD1 H 1 6.923 0.001 . 1 . . 85 . A 14 PHE HD1 . 36317 1
103 . 1 . 1 14 14 PHE HD2 H 1 6.923 0.001 . 1 . . 85 . A 14 PHE HD2 . 36317 1
104 . 1 . 1 14 14 PHE HE1 H 1 7.211 0.002 . 1 . . 84 . A 14 PHE HE1 . 36317 1
105 . 1 . 1 14 14 PHE HE2 H 1 7.211 0.002 . 1 . . 84 . A 14 PHE HE2 . 36317 1
106 . 1 . 1 15 15 PHE H H 1 9.205 0.002 . 1 . . 10 . A 15 PHE H . 36317 1
107 . 1 . 1 15 15 PHE HA H 1 4.787 0.002 . 1 . . 13 . A 15 PHE HA . 36317 1
108 . 1 . 1 15 15 PHE HB2 H 1 2.719 0.003 . 2 . . 11 . A 15 PHE HB2 . 36317 1
109 . 1 . 1 15 15 PHE HB3 H 1 3.418 0.007 . 2 . . 12 . A 15 PHE HB3 . 36317 1
110 . 1 . 1 15 15 PHE HD1 H 1 7.320 0.003 . 1 . . 43 . A 15 PHE HD1 . 36317 1
111 . 1 . 1 15 15 PHE HD2 H 1 7.320 0.003 . 1 . . 43 . A 15 PHE HD2 . 36317 1
112 . 1 . 1 15 15 PHE HE1 H 1 7.171 . . 1 . . 86 . A 15 PHE HE1 . 36317 1
113 . 1 . 1 15 15 PHE HE2 H 1 7.171 . . 1 . . 86 . A 15 PHE HE2 . 36317 1
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