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 31109
_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 1H-1H TOCSY' . . . 31109 1
2 '2D 1H-1H NOESY' . . . 31109 1
3 '2D 1H-13C HSQC' . . . 31109 1
4 '2D 1H-13C HMBC' . . . 31109 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 GLY H H 1 6.852 0.001 . . . . . . A 1 GLY H1 . 31109 1
2 . 1 . 1 1 1 GLY HA2 H 1 3.182 0.001 . . . . . . A 1 GLY HA2 . 31109 1
3 . 1 . 1 1 1 GLY HA3 H 1 3.182 0.001 . . . . . . A 1 GLY HA3 . 31109 1
4 . 1 . 1 2 2 ILE H H 1 7.495 0.004 . . . . . . A 2 ILE H . 31109 1
5 . 1 . 1 2 2 ILE HA H 1 4.383 0.006 . . . . . . A 2 ILE HA . 31109 1
6 . 1 . 1 2 2 ILE HB H 1 1.834 0.001 . . . . . . A 2 ILE HB . 31109 1
7 . 1 . 1 2 2 ILE HG12 H 1 1.383 0.000 . . . . . . A 2 ILE HG12 . 31109 1
8 . 1 . 1 2 2 ILE HG13 H 1 1.013 0.004 . . . . . . A 2 ILE HG13 . 31109 1
9 . 1 . 1 2 2 ILE HG21 H 1 0.800 0.003 . . . . . . A 2 ILE HG21 . 31109 1
10 . 1 . 1 2 2 ILE HG22 H 1 0.800 0.003 . . . . . . A 2 ILE HG22 . 31109 1
11 . 1 . 1 2 2 ILE HG23 H 1 0.800 0.003 . . . . . . A 2 ILE HG23 . 31109 1
12 . 1 . 1 2 2 ILE HD11 H 1 0.793 0.001 . . . . . . A 2 ILE HD11 . 31109 1
13 . 1 . 1 2 2 ILE HD12 H 1 0.793 0.001 . . . . . . A 2 ILE HD12 . 31109 1
14 . 1 . 1 2 2 ILE HD13 H 1 0.793 0.001 . . . . . . A 2 ILE HD13 . 31109 1
15 . 1 . 1 3 3 GLY H H 1 7.704 0.002 . . . . . . A 3 GLY H . 31109 1
16 . 1 . 1 3 3 GLY HA2 H 1 4.170 0.004 . . . . . . A 3 GLY HA2 . 31109 1
17 . 1 . 1 3 3 GLY HA3 H 1 3.451 0.003 . . . . . . A 3 GLY HA3 . 31109 1
18 . 1 . 1 4 4 SER H H 1 8.034 0.005 . . . . . . A 4 SER H . 31109 1
19 . 1 . 1 4 4 SER HA H 1 4.584 0.002 . . . . . . A 4 SER HA . 31109 1
20 . 1 . 1 4 4 SER HB2 H 1 3.864 0.001 . . . . . . A 4 SER HB2 . 31109 1
21 . 1 . 1 4 4 SER HB3 H 1 3.662 0.001 . . . . . . A 4 SER HB3 . 31109 1
22 . 1 . 1 5 5 GLN H H 1 7.695 0.003 . . . . . . A 5 GLN H . 31109 1
23 . 1 . 1 5 5 GLN HA H 1 4.490 0.003 . . . . . . A 5 GLN HA . 31109 1
24 . 1 . 1 5 5 GLN HB2 H 1 1.966 0.005 . . . . . . A 5 GLN HB2 . 31109 1
25 . 1 . 1 5 5 GLN HB3 H 1 1.966 0.005 . . . . . . A 5 GLN HB3 . 31109 1
26 . 1 . 1 5 5 GLN HG2 H 1 2.287 0.000 . . . . . . A 5 GLN HG2 . 31109 1
27 . 1 . 1 5 5 GLN HG3 H 1 2.211 0.002 . . . . . . A 5 GLN HG3 . 31109 1
28 . 1 . 1 6 6 ASN H H 1 8.456 0.004 . . . . . . A 6 ASN H . 31109 1
29 . 1 . 1 6 6 ASN HA H 1 4.969 0.003 . . . . . . A 6 ASN HA . 31109 1
30 . 1 . 1 6 6 ASN HB2 H 1 2.369 0.003 . . . . . . A 6 ASN HB2 . 31109 1
31 . 1 . 1 6 6 ASN HB3 H 1 2.326 0.004 . . . . . . A 6 ASN HB3 . 31109 1
32 . 1 . 1 6 6 ASN HD21 H 1 6.681 0.000 . . . . . . A 6 ASN HD21 . 31109 1
33 . 1 . 1 6 6 ASN HD22 H 1 6.422 0.001 . . . . . . A 6 ASN HD22 . 31109 1
34 . 1 . 1 7 7 PRO HA H 1 4.292 0.004 . . . . . . A 7 PRO HA . 31109 1
35 . 1 . 1 7 7 PRO HB2 H 1 1.545 0.004 . . . . . . A 7 PRO HB2 . 31109 1
36 . 1 . 1 7 7 PRO HB3 H 1 1.545 0.004 . . . . . . A 7 PRO HB3 . 31109 1
37 . 1 . 1 7 7 PRO HG2 H 1 1.698 0.000 . . . . . . A 7 PRO HG2 . 31109 1
38 . 1 . 1 7 7 PRO HG3 H 1 1.341 0.001 . . . . . . A 7 PRO HG3 . 31109 1
39 . 1 . 1 7 7 PRO HD2 H 1 3.555 0.002 . . . . . . A 7 PRO HD2 . 31109 1
40 . 1 . 1 7 7 PRO HD3 H 1 3.390 0.001 . . . . . . A 7 PRO HD3 . 31109 1
41 . 1 . 1 8 8 5CW H H 1 7.764 0.001 . . . . . . A 8 5CW H . 31109 1
42 . 1 . 1 8 8 5CW HA H 1 4.480 0.004 . . . . . . A 8 5CW HA . 31109 1
43 . 1 . 1 8 8 5CW HB2 H 1 3.141 0.003 . . . . . . A 8 5CW HB2 . 31109 1
44 . 1 . 1 8 8 5CW HB3 H 1 3.141 0.003 . . . . . . A 8 5CW HB3 . 31109 1
45 . 1 . 1 8 8 5CW HD1 H 1 6.974 0.002 . . . . . . A 8 5CW HD1 . 31109 1
46 . 1 . 1 8 8 5CW HE1 H 1 9.944 0.000 . . . . . . A 8 5CW HE1 . 31109 1
47 . 1 . 1 8 8 5CW HH2 H 1 7.012 0.005 . . . . . . A 8 5CW HH2 . 31109 1
48 . 1 . 1 8 8 5CW HZ2 H 1 7.294 0.002 . . . . . . A 8 5CW HZ2 . 31109 1
49 . 1 . 1 9 9 ASP H H 1 7.872 0.003 . . . . . . A 9 ASP H . 31109 1
50 . 1 . 1 9 9 ASP HA H 1 4.695 0.003 . . . . . . A 9 ASP HA . 31109 1
51 . 1 . 1 9 9 ASP HB2 H 1 2.787 0.003 . . . . . . A 9 ASP HB2 . 31109 1
52 . 1 . 1 9 9 ASP HB3 H 1 2.391 0.002 . . . . . . A 9 ASP HB3 . 31109 1
53 . 1 . 1 10 10 THR H H 1 7.727 0.003 . . . . . . A 10 THR H . 31109 1
54 . 1 . 1 10 10 THR HA H 1 3.794 0.002 . . . . . . A 10 THR HA . 31109 1
55 . 1 . 1 10 10 THR HB H 1 4.167 0.003 . . . . . . A 10 THR HB . 31109 1
56 . 1 . 1 10 10 THR HG21 H 1 1.155 0.003 . . . . . . A 10 THR HG21 . 31109 1
57 . 1 . 1 10 10 THR HG22 H 1 1.155 0.003 . . . . . . A 10 THR HG22 . 31109 1
58 . 1 . 1 10 10 THR HG23 H 1 1.155 0.003 . . . . . . A 10 THR HG23 . 31109 1
59 . 1 . 1 11 11 ALA H H 1 7.610 0.000 . . . . . . A 11 ALA H . 31109 1
60 . 1 . 1 11 11 ALA HA H 1 4.286 0.003 . . . . . . A 11 ALA HA . 31109 1
61 . 1 . 1 11 11 ALA HB1 H 1 1.089 0.001 . . . . . . A 11 ALA HB1 . 31109 1
62 . 1 . 1 11 11 ALA HB2 H 1 1.089 0.001 . . . . . . A 11 ALA HB2 . 31109 1
63 . 1 . 1 11 11 ALA HB3 H 1 1.089 0.001 . . . . . . A 11 ALA HB3 . 31109 1
64 . 1 . 1 12 12 5CW H H 1 7.910 0.000 . . . . . . A 12 5CW H . 31109 1
65 . 1 . 1 12 12 5CW HA H 1 4.435 0.001 . . . . . . A 12 5CW HA . 31109 1
66 . 1 . 1 12 12 5CW HB2 H 1 3.356 0.001 . . . . . . A 12 5CW HB2 . 31109 1
67 . 1 . 1 12 12 5CW HB3 H 1 3.286 0.002 . . . . . . A 12 5CW HB3 . 31109 1
68 . 1 . 1 12 12 5CW HD1 H 1 7.246 0.002 . . . . . . A 12 5CW HD1 . 31109 1
69 . 1 . 1 12 12 5CW HE1 H 1 9.994 0.001 . . . . . . A 12 5CW HE1 . 31109 1
70 . 1 . 1 12 12 5CW HE3 H 1 7.566 0.005 . . . . . . A 12 5CW HE3 . 31109 1
71 . 1 . 1 12 12 5CW HH2 H 1 7.025 0.001 . . . . . . A 12 5CW HH2 . 31109 1
72 . 1 . 1 12 12 5CW HZ2 H 1 7.297 0.004 . . . . . . A 12 5CW HZ2 . 31109 1
73 . 1 . 1 13 13 LEU H H 1 7.179 0.003 . . . . . . A 13 LEU H . 31109 1
74 . 1 . 1 13 13 LEU HA H 1 4.860 0.001 . . . . . . A 13 LEU HA . 31109 1
75 . 1 . 1 13 13 LEU HB2 H 1 1.159 0.006 . . . . . . A 13 LEU HB2 . 31109 1
76 . 1 . 1 13 13 LEU HB3 H 1 1.159 0.006 . . . . . . A 13 LEU HB3 . 31109 1
77 . 1 . 1 13 13 LEU HG H 1 1.232 0.003 . . . . . . A 13 LEU HG . 31109 1
78 . 1 . 1 13 13 LEU HD11 H 1 0.574 0.001 . . . . . . A 13 LEU HD11 . 31109 1
79 . 1 . 1 13 13 LEU HD12 H 1 0.574 0.001 . . . . . . A 13 LEU HD12 . 31109 1
80 . 1 . 1 13 13 LEU HD13 H 1 0.574 0.001 . . . . . . A 13 LEU HD13 . 31109 1
81 . 1 . 1 13 13 LEU HD21 H 1 0.546 0.003 . . . . . . A 13 LEU HD21 . 31109 1
82 . 1 . 1 13 13 LEU HD22 H 1 0.546 0.003 . . . . . . A 13 LEU HD22 . 31109 1
83 . 1 . 1 13 13 LEU HD23 H 1 0.546 0.003 . . . . . . A 13 LEU HD23 . 31109 1
84 . 1 . 1 14 14 TRP H H 1 9.112 0.002 . . . . . . A 14 TRP H . 31109 1
85 . 1 . 1 14 14 TRP HA H 1 4.924 0.003 . . . . . . A 14 TRP HA . 31109 1
86 . 1 . 1 14 14 TRP HB2 H 1 3.214 0.002 . . . . . . A 14 TRP HB2 . 31109 1
87 . 1 . 1 14 14 TRP HB3 H 1 3.137 0.001 . . . . . . A 14 TRP HB3 . 31109 1
88 . 1 . 1 14 14 TRP HD1 H 1 7.062 0.004 . . . . . . A 14 TRP HD1 . 31109 1
89 . 1 . 1 14 14 TRP HE1 H 1 9.679 0.000 . . . . . . A 14 TRP HE1 . 31109 1
90 . 1 . 1 14 14 TRP HE3 H 1 7.724 0.005 . . . . . . A 14 TRP HE3 . 31109 1
91 . 1 . 1 14 14 TRP HZ2 H 1 7.399 0.005 . . . . . . A 14 TRP HZ2 . 31109 1
92 . 1 . 1 14 14 TRP HZ3 H 1 7.069 0.004 . . . . . . A 14 TRP HZ3 . 31109 1
93 . 1 . 1 14 14 TRP HH2 H 1 7.123 0.005 . . . . . . A 14 TRP HH2 . 31109 1
94 . 1 . 1 15 15 ASP H H 1 7.912 0.002 . . . . . . A 15 ASP H . 31109 1
95 . 1 . 1 15 15 ASP HA H 1 4.542 0.002 . . . . . . A 15 ASP HA . 31109 1
96 . 1 . 1 15 15 ASP HB2 H 1 2.796 0.001 . . . . . . A 15 ASP HB2 . 31109 1
97 . 1 . 1 15 15 ASP HB3 H 1 2.544 0.006 . . . . . . A 15 ASP HB3 . 31109 1
stop_
save_