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 31110
_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 $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 TOCSY' . . . 31110 1
2 '2D NOESY' . . . 31110 1
3 '2D HSQC' . . . 31110 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 TRP H H 1 7.353 0.001 . . . . . . A 1 TRP H1 . 31110 1
2 . 1 . 1 1 1 TRP HA H 1 4.750 0.000 . . . . . . A 1 TRP HA . 31110 1
3 . 1 . 1 1 1 TRP HB2 H 1 3.588 0.003 . . . . . . A 1 TRP HB2 . 31110 1
4 . 1 . 1 1 1 TRP HB3 H 1 3.144 0.002 . . . . . . A 1 TRP HB3 . 31110 1
5 . 1 . 1 1 1 TRP HD1 H 1 6.106 0.001 . . . . . . A 1 TRP HD1 . 31110 1
6 . 1 . 1 1 1 TRP HE1 H 1 10.048 0.000 . . . . . . A 1 TRP HE1 . 31110 1
7 . 1 . 1 1 1 TRP HE3 H 1 7.234 0.001 . . . . . . A 1 TRP HE3 . 31110 1
8 . 1 . 1 1 1 TRP HZ2 H 1 7.154 0.003 . . . . . . A 1 TRP HZ2 . 31110 1
9 . 1 . 1 1 1 TRP HZ3 H 1 7.030 0.001 . . . . . . A 1 TRP HZ3 . 31110 1
10 . 1 . 1 1 1 TRP HH2 H 1 6.981 0.002 . . . . . . A 1 TRP HH2 . 31110 1
11 . 1 . 1 2 2 PQ4 H H 1 9.840 0.000 . . . . . . A 2 PQ4 H . 31110 1
12 . 1 . 1 2 2 PQ4 HB2 H 1 7.484 0.000 . . . . . . A 2 PQ4 HB2 . 31110 1
13 . 1 . 1 2 2 PQ4 HD1 H 1 7.611 0.001 . . . . . . A 2 PQ4 HD1 . 31110 1
14 . 1 . 1 2 2 PQ4 HD2 H 1 7.611 0.001 . . . . . . A 2 PQ4 HD2 . 31110 1
15 . 1 . 1 2 2 PQ4 HE1 H 1 6.843 0.000 . . . . . . A 2 PQ4 HE1 . 31110 1
16 . 1 . 1 2 2 PQ4 HE2 H 1 6.843 0.000 . . . . . . A 2 PQ4 HE2 . 31110 1
17 . 1 . 1 3 3 GLY H H 1 8.041 0.002 . . . . . . A 3 GLY H . 31110 1
18 . 1 . 1 3 3 GLY HA2 H 1 4.398 0.003 . . . . . . A 3 GLY HA2 . 31110 1
19 . 1 . 1 3 3 GLY HA3 H 1 2.857 0.004 . . . . . . A 3 GLY HA3 . 31110 1
20 . 1 . 1 4 4 WWB H H 1 7.453 0.003 . . . . . . A 4 WWB H . 31110 1
21 . 1 . 1 4 4 WWB HB2 H 1 3.310 0.000 . . . . . . A 4 WWB HB2 . 31110 1
22 . 1 . 1 4 4 WWB HB3 H 1 3.230 0.005 . . . . . . A 4 WWB HB3 . 31110 1
23 . 1 . 1 4 4 WWB HD1 H 1 7.039 0.001 . . . . . . A 4 WWB HD1 . 31110 1
24 . 1 . 1 4 4 WWB HE1 H 1 10.609 0.001 . . . . . . A 4 WWB HE1 . 31110 1
25 . 1 . 1 4 4 WWB HE3 H 1 7.280 0.000 . . . . . . A 4 WWB HE3 . 31110 1
26 . 1 . 1 4 4 WWB HH2 H 1 6.922 0.002 . . . . . . A 4 WWB HH2 . 31110 1
27 . 1 . 1 4 4 WWB HP11 H 1 3.466 0.003 . . . . . . A 4 WWB HP11 . 31110 1
28 . 1 . 1 4 4 WWB HP12 H 1 3.466 0.003 . . . . . . A 4 WWB HP12 . 31110 1
29 . 1 . 1 4 4 WWB HP2 H 1 5.422 0.001 . . . . . . A 4 WWB HP2 . 31110 1
30 . 1 . 1 4 4 WWB HP41 H 1 1.781 0.002 . . . . . . A 4 WWB HP41 . 31110 1
31 . 1 . 1 4 4 WWB HP42 H 1 1.781 0.002 . . . . . . A 4 WWB HP42 . 31110 1
32 . 1 . 1 4 4 WWB HP43 H 1 1.781 0.002 . . . . . . A 4 WWB HP43 . 31110 1
33 . 1 . 1 4 4 WWB HP51 H 1 1.759 0.002 . . . . . . A 4 WWB HP51 . 31110 1
34 . 1 . 1 4 4 WWB HP52 H 1 1.759 0.002 . . . . . . A 4 WWB HP52 . 31110 1
35 . 1 . 1 4 4 WWB HP53 H 1 1.759 0.002 . . . . . . A 4 WWB HP53 . 31110 1
36 . 1 . 1 4 4 WWB HZ2 H 1 7.322 0.003 . . . . . . A 4 WWB HZ2 . 31110 1
37 . 1 . 1 5 5 ALA H H 1 8.438 0.002 . . . . . . A 5 ALA H . 31110 1
38 . 1 . 1 5 5 ALA HA H 1 4.781 0.001 . . . . . . A 5 ALA HA . 31110 1
39 . 1 . 1 5 5 ALA HB1 H 1 1.203 0.003 . . . . . . A 5 ALA HB1 . 31110 1
40 . 1 . 1 5 5 ALA HB2 H 1 1.203 0.003 . . . . . . A 5 ALA HB2 . 31110 1
41 . 1 . 1 5 5 ALA HB3 H 1 1.203 0.003 . . . . . . A 5 ALA HB3 . 31110 1
42 . 1 . 1 6 6 SER H H 1 8.707 0.003 . . . . . . A 6 SER H . 31110 1
43 . 1 . 1 6 6 SER HA H 1 4.063 0.002 . . . . . . A 6 SER HA . 31110 1
44 . 1 . 1 6 6 SER HB2 H 1 3.683 0.006 . . . . . . A 6 SER HB2 . 31110 1
45 . 1 . 1 6 6 SER HB3 H 1 3.640 0.004 . . . . . . A 6 SER HB3 . 31110 1
46 . 1 . 1 7 7 ASN H H 1 8.389 0.007 . . . . . . A 7 ASN H . 31110 1
47 . 1 . 1 7 7 ASN HA H 1 5.127 0.002 . . . . . . A 7 ASN HA . 31110 1
48 . 1 . 1 7 7 ASN HB2 H 1 2.576 0.004 . . . . . . A 7 ASN HB2 . 31110 1
49 . 1 . 1 7 7 ASN HB3 H 1 2.576 0.004 . . . . . . A 7 ASN HB3 . 31110 1
50 . 1 . 1 7 7 ASN HD21 H 1 7.690 0.001 . . . . . . A 7 ASN HD21 . 31110 1
51 . 1 . 1 7 7 ASN HD22 H 1 7.033 0.003 . . . . . . A 7 ASN HD22 . 31110 1
52 . 1 . 1 8 8 ASP H H 1 8.814 0.005 . . . . . . A 8 ASP H . 31110 1
53 . 1 . 1 8 8 ASP HA H 1 4.774 0.000 . . . . . . A 8 ASP HA . 31110 1
54 . 1 . 1 8 8 ASP HB2 H 1 3.301 0.000 . . . . . . A 8 ASP HB2 . 31110 1
55 . 1 . 1 8 8 ASP HB3 H 1 2.482 0.003 . . . . . . A 8 ASP HB3 . 31110 1
56 . 1 . 1 9 9 GLY H H 1 9.297 0.002 . . . . . . A 9 GLY H . 31110 1
57 . 1 . 1 9 9 GLY HA2 H 1 4.675 0.004 . . . . . . A 9 GLY HA2 . 31110 1
58 . 1 . 1 9 9 GLY HA3 H 1 3.485 0.003 . . . . . . A 9 GLY HA3 . 31110 1
59 . 1 . 1 10 10 GLU H H 1 8.474 0.004 . . . . . . A 10 GLU H . 31110 1
60 . 1 . 1 10 10 GLU HA H 1 4.692 0.000 . . . . . . A 10 GLU HA . 31110 1
61 . 1 . 1 10 10 GLU HB2 H 1 2.415 0.000 . . . . . . A 10 GLU HB2 . 31110 1
62 . 1 . 1 10 10 GLU HB3 H 1 2.031 0.000 . . . . . . A 10 GLU HB3 . 31110 1
63 . 1 . 1 10 10 GLU HG2 H 1 2.341 0.000 . . . . . . A 10 GLU HG2 . 31110 1
64 . 1 . 1 10 10 GLU HG3 H 1 2.341 0.000 . . . . . . A 10 GLU HG3 . 31110 1
65 . 1 . 1 11 11 GLY H H 1 7.991 0.001 . . . . . . A 11 GLY H . 31110 1
66 . 1 . 1 11 11 GLY HA2 H 1 4.329 0.004 . . . . . . A 11 GLY HA2 . 31110 1
67 . 1 . 1 11 11 GLY HA3 H 1 3.916 0.003 . . . . . . A 11 GLY HA3 . 31110 1
68 . 1 . 1 12 12 THR H H 1 7.693 0.001 . . . . . . A 12 THR H . 31110 1
69 . 1 . 1 12 12 THR HA H 1 4.474 0.072 . . . . . . A 12 THR HA . 31110 1
70 . 1 . 1 12 12 THR HB H 1 3.802 0.001 . . . . . . A 12 THR HB . 31110 1
71 . 1 . 1 12 12 THR HG21 H 1 1.163 0.001 . . . . . . A 12 THR HG21 . 31110 1
72 . 1 . 1 12 12 THR HG22 H 1 1.163 0.001 . . . . . . A 12 THR HG22 . 31110 1
73 . 1 . 1 12 12 THR HG23 H 1 1.163 0.001 . . . . . . A 12 THR HG23 . 31110 1
74 . 1 . 1 13 13 ALA H H 1 8.098 0.002 . . . . . . A 13 ALA H . 31110 1
75 . 1 . 1 13 13 ALA HA H 1 4.280 0.003 . . . . . . A 13 ALA HA . 31110 1
76 . 1 . 1 13 13 ALA HB1 H 1 1.248 0.008 . . . . . . A 13 ALA HB1 . 31110 1
77 . 1 . 1 13 13 ALA HB2 H 1 1.248 0.008 . . . . . . A 13 ALA HB2 . 31110 1
78 . 1 . 1 13 13 ALA HB3 H 1 1.248 0.008 . . . . . . A 13 ALA HB3 . 31110 1
79 . 1 . 1 14 14 ILE H H 1 7.632 0.002 . . . . . . A 14 ILE H . 31110 1
80 . 1 . 1 14 14 ILE HA H 1 3.415 0.003 . . . . . . A 14 ILE HA . 31110 1
81 . 1 . 1 14 14 ILE HB H 1 1.567 0.004 . . . . . . A 14 ILE HB . 31110 1
82 . 1 . 1 14 14 ILE HG12 H 1 0.840 0.000 . . . . . . A 14 ILE HG12 . 31110 1
83 . 1 . 1 14 14 ILE HG13 H 1 0.840 0.000 . . . . . . A 14 ILE HG13 . 31110 1
84 . 1 . 1 14 14 ILE HG21 H 1 0.860 0.006 . . . . . . A 14 ILE HG21 . 31110 1
85 . 1 . 1 14 14 ILE HG22 H 1 0.860 0.006 . . . . . . A 14 ILE HG22 . 31110 1
86 . 1 . 1 14 14 ILE HG23 H 1 0.860 0.006 . . . . . . A 14 ILE HG23 . 31110 1
87 . 1 . 1 14 14 ILE HD11 H 1 0.818 0.022 . . . . . . A 14 ILE HD11 . 31110 1
88 . 1 . 1 14 14 ILE HD12 H 1 0.818 0.022 . . . . . . A 14 ILE HD12 . 31110 1
89 . 1 . 1 14 14 ILE HD13 H 1 0.818 0.022 . . . . . . A 14 ILE HD13 . 31110 1
90 . 1 . 1 15 15 ILE H H 1 6.777 0.003 . . . . . . A 15 ILE H . 31110 1
91 . 1 . 1 15 15 ILE HA H 1 4.193 0.002 . . . . . . A 15 ILE HA . 31110 1
92 . 1 . 1 15 15 ILE HB H 1 1.760 0.002 . . . . . . A 15 ILE HB . 31110 1
93 . 1 . 1 15 15 ILE HG12 H 1 1.428 0.001 . . . . . . A 15 ILE HG12 . 31110 1
94 . 1 . 1 15 15 ILE HG13 H 1 1.023 0.004 . . . . . . A 15 ILE HG13 . 31110 1
95 . 1 . 1 15 15 ILE HG21 H 1 0.798 0.000 . . . . . . A 15 ILE HG21 . 31110 1
96 . 1 . 1 15 15 ILE HG22 H 1 0.798 0.000 . . . . . . A 15 ILE HG22 . 31110 1
97 . 1 . 1 15 15 ILE HG23 H 1 0.798 0.000 . . . . . . A 15 ILE HG23 . 31110 1
98 . 1 . 1 15 15 ILE HD11 H 1 0.816 0.003 . . . . . . A 15 ILE HD11 . 31110 1
99 . 1 . 1 15 15 ILE HD12 H 1 0.816 0.003 . . . . . . A 15 ILE HD12 . 31110 1
100 . 1 . 1 15 15 ILE HD13 H 1 0.816 0.003 . . . . . . A 15 ILE HD13 . 31110 1
stop_
save_