Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
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 25962
_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 $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.01
_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 25962 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 25962 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 GLY HA2 H 1 4.099 0.01 . 2 . . . A 1 GLY HA2 . 25962 1
2 . 1 1 1 1 GLY HA3 H 1 3.640 0.01 . 2 . . . A 1 GLY HA3 . 25962 1
3 . 1 1 1 1 GLY H H 1 8.110 0.01 . 1 . . . A 1 GLY H1 . 25962 1
4 . 1 1 2 2 ASP H H 1 7.407 0.01 . 1 . . . A 2 ASP H . 25962 1
5 . 1 1 2 2 ASP HA H 1 4.881 0.01 . 1 . . . A 2 ASP HA . 25962 1
6 . 1 1 2 2 ASP HB2 H 1 2.842 0.01 . 2 . . . A 2 ASP HB2 . 25962 1
7 . 1 1 2 2 ASP HB3 H 1 2.771 0.01 . 2 . . . A 2 ASP HB3 . 25962 1
8 . 1 1 3 3 CYS H H 1 8.475 0.01 . 1 . . . A 3 CYS H . 25962 1
9 . 1 1 3 3 CYS HA H 1 5.600 0.01 . 1 . . . A 3 CYS HA . 25962 1
10 . 1 1 3 3 CYS HB2 H 1 2.805 0.01 . 2 . . . A 3 CYS HB2 . 25962 1
11 . 1 1 3 3 CYS HB3 H 1 2.596 0.01 . 2 . . . A 3 CYS HB3 . 25962 1
12 . 1 1 4 4 TYR H H 1 8.657 0.002 . 1 . . . A 4 TYR H . 25962 1
13 . 1 1 4 4 TYR HA H 1 4.707 0.005 . 1 . . . A 4 TYR HA . 25962 1
14 . 1 1 4 4 TYR HB2 H 1 3.093 0.01 . 2 . . . A 4 TYR HB2 . 25962 1
15 . 1 1 4 4 TYR HB3 H 1 2.793 0.01 . 2 . . . A 4 TYR HB3 . 25962 1
16 . 1 1 4 4 TYR HD1 H 1 6.943 0.001 . 3 . . . A 4 TYR HD1 . 25962 1
17 . 1 1 4 4 TYR HD2 H 1 6.943 0.001 . 3 . . . A 4 TYR HD2 . 25962 1
18 . 1 1 4 4 TYR HE1 H 1 6.580 0.129 . 3 . . . A 4 TYR HE1 . 25962 1
19 . 1 1 4 4 TYR HE2 H 1 6.580 0.129 . 3 . . . A 4 TYR HE2 . 25962 1
20 . 1 1 5 5 TRP H H 1 8.332 0.01 . 1 . . . A 5 TRP H . 25962 1
21 . 1 1 5 5 TRP HA H 1 5.509 0.002 . 1 . . . A 5 TRP HA . 25962 1
22 . 1 1 5 5 TRP HB2 H 1 3.429 0.01 . 2 . . . A 5 TRP HB2 . 25962 1
23 . 1 1 5 5 TRP HB3 H 1 3.167 0.01 . 2 . . . A 5 TRP HB3 . 25962 1
24 . 1 1 5 5 TRP HD1 H 1 7.329 0.01 . 1 . . . A 5 TRP HD1 . 25962 1
25 . 1 1 5 5 TRP HE1 H 1 10.260 0.01 . 1 . . . A 5 TRP HE1 . 25962 1
26 . 1 1 5 5 TRP HE3 H 1 7.265 1.561 . 1 . . . A 5 TRP HE3 . 25962 1
27 . 1 1 5 5 TRP HZ2 H 1 7.198 0.01 . 1 . . . A 5 TRP HZ2 . 25962 1
28 . 1 1 5 5 TRP HZ3 H 1 6.940 0.01 . 1 . . . A 5 TRP HZ3 . 25962 1
29 . 1 1 5 5 TRP HH2 H 1 7.200 0.01 . 1 . . . A 5 TRP HH2 . 25962 1
30 . 1 1 6 6 THR H H 1 8.528 0.001 . 1 . . . A 6 THR H . 25962 1
31 . 1 1 6 6 THR HA H 1 4.719 0.01 . 1 . . . A 6 THR HA . 25962 1
32 . 1 1 6 6 THR HB H 1 4.320 0.003 . 1 . . . A 6 THR HB . 25962 1
33 . 1 1 6 6 THR HG21 H 1 1.087 0.003 . 1 . . . A 6 THR HG21 . 25962 1
34 . 1 1 6 6 THR HG22 H 1 1.087 0.003 . 1 . . . A 6 THR HG22 . 25962 1
35 . 1 1 6 6 THR HG23 H 1 1.087 0.003 . 1 . . . A 6 THR HG23 . 25962 1
36 . 1 1 7 7 SER H H 1 8.139 0.01 . 1 . . . A 7 SER H . 25962 1
37 . 1 1 7 7 SER HA H 1 4.566 0.004 . 1 . . . A 7 SER HA . 25962 1
38 . 1 1 7 7 SER HB2 H 1 4.115 0.002 . 2 . . . A 7 SER HB2 . 25962 1
39 . 1 1 7 7 SER HB3 H 1 3.933 0.001 . 2 . . . A 7 SER HB3 . 25962 1
40 . 1 1 8 8 THR H H 1 7.506 0.01 . 1 . . . A 8 THR H . 25962 1
41 . 1 1 8 8 THR HA H 1 4.665 0.003 . 1 . . . A 8 THR HA . 25962 1
42 . 1 1 8 8 THR HB H 1 3.976 0.01 . 1 . . . A 8 THR HB . 25962 1
43 . 1 1 8 8 THR HG21 H 1 1.187 0.01 . 1 . . . A 8 THR HG21 . 25962 1
44 . 1 1 8 8 THR HG22 H 1 1.187 0.01 . 1 . . . A 8 THR HG22 . 25962 1
45 . 1 1 8 8 THR HG23 H 1 1.187 0.01 . 1 . . . A 8 THR HG23 . 25962 1
46 . 1 1 9 9 PRO HA H 1 2.763 0.01 . 1 . . . A 9 PRO HA . 25962 1
47 . 1 1 9 9 PRO HB2 H 1 1.916 0.01 . 2 . . . A 9 PRO HB2 . 25962 1
48 . 1 1 9 9 PRO HB3 H 1 1.564 0.002 . 2 . . . A 9 PRO HB3 . 25962 1
49 . 1 1 9 9 PRO HG2 H 1 1.969 0.01 . 2 . . . A 9 PRO HG2 . 25962 1
50 . 1 1 9 9 PRO HG3 H 1 1.896 0.01 . 2 . . . A 9 PRO HG3 . 25962 1
51 . 1 1 9 9 PRO HD2 H 1 3.666 0.01 . 1 . . . A 9 PRO HD2 . 25962 1
52 . 1 1 9 9 PRO HD3 H 1 3.545 0.01 . 1 . . . A 9 PRO HD3 . 25962 1
53 . 1 1 10 10 PRO HA H 1 4.078 0.01 . 1 . . . A 10 PRO HA . 25962 1
54 . 1 1 10 10 PRO HB2 H 1 2.634 0.01 . 2 . . . A 10 PRO HB2 . 25962 1
55 . 1 1 10 10 PRO HB3 H 1 1.950 0.01 . 2 . . . A 10 PRO HB3 . 25962 1
56 . 1 1 10 10 PRO HG2 H 1 1.735 0.01 . 2 . . . A 10 PRO HG2 . 25962 1
57 . 1 1 10 10 PRO HG3 H 1 1.560 0.003 . 2 . . . A 10 PRO HG3 . 25962 1
58 . 1 1 10 10 PRO HD2 H 1 3.309 0.007 . 1 . . . A 10 PRO HD2 . 25962 1
59 . 1 1 10 10 PRO HD3 H 1 3.309 0.007 . 1 . . . A 10 PRO HD3 . 25962 1
60 . 1 1 11 11 PHE H H 1 8.869 0.01 . 1 . . . A 11 PHE H . 25962 1
61 . 1 1 11 11 PHE HA H 1 4.561 0.01 . 1 . . . A 11 PHE HA . 25962 1
62 . 1 1 11 11 PHE HB2 H 1 3.689 0.01 . 2 . . . A 11 PHE HB2 . 25962 1
63 . 1 1 11 11 PHE HB3 H 1 3.630 0.01 . 2 . . . A 11 PHE HB3 . 25962 1
64 . 1 1 11 11 PHE HD1 H 1 7.292 0.01 . 3 . . . A 11 PHE HD1 . 25962 1
65 . 1 1 11 11 PHE HD2 H 1 7.292 0.01 . 3 . . . A 11 PHE HD2 . 25962 1
66 . 1 1 11 11 PHE HE1 H 1 7.255 0.01 . 3 . . . A 11 PHE HE1 . 25962 1
67 . 1 1 11 11 PHE HE2 H 1 7.255 0.01 . 3 . . . A 11 PHE HE2 . 25962 1
68 . 1 1 11 11 PHE HZ H 1 7.191 0.01 . 1 . . . A 11 PHE HZ . 25962 1
69 . 1 1 12 12 PHE H H 1 7.421 0.001 . 1 . . . A 12 PHE H . 25962 1
70 . 1 1 12 12 PHE HA H 1 5.365 0.01 . 1 . . . A 12 PHE HA . 25962 1
71 . 1 1 12 12 PHE HB2 H 1 2.870 0.01 . 2 . . . A 12 PHE HB2 . 25962 1
72 . 1 1 12 12 PHE HB3 H 1 2.633 0.002 . 2 . . . A 12 PHE HB3 . 25962 1
73 . 1 1 12 12 PHE HD1 H 1 6.723 0.01 . 3 . . . A 12 PHE HD1 . 25962 1
74 . 1 1 12 12 PHE HD2 H 1 6.723 0.01 . 3 . . . A 12 PHE HD2 . 25962 1
75 . 1 1 12 12 PHE HE1 H 1 6.964 0.01 . 3 . . . A 12 PHE HE1 . 25962 1
76 . 1 1 12 12 PHE HE2 H 1 6.964 0.01 . 3 . . . A 12 PHE HE2 . 25962 1
77 . 1 1 13 13 THR H H 1 8.331 0.01 . 1 . . . A 13 THR H . 25962 1
78 . 1 1 13 13 THR HA H 1 4.263 0.01 . 1 . . . A 13 THR HA . 25962 1
79 . 1 1 13 13 THR HB H 1 3.667 0.01 . 1 . . . A 13 THR HB . 25962 1
80 . 1 1 13 13 THR HG21 H 1 0.825 0.01 . 1 . . . A 13 THR HG21 . 25962 1
81 . 1 1 13 13 THR HG22 H 1 0.825 0.01 . 1 . . . A 13 THR HG22 . 25962 1
82 . 1 1 13 13 THR HG23 H 1 0.825 0.01 . 1 . . . A 13 THR HG23 . 25962 1
83 . 1 1 14 14 CYS H H 1 8.160 0.01 . 1 . . . A 14 CYS H . 25962 1
84 . 1 1 14 14 CYS HA H 1 5.660 0.003 . 1 . . . A 14 CYS HA . 25962 1
85 . 1 1 14 14 CYS HB2 H 1 2.785 0.01 . 1 . . . A 14 CYS HB2 . 25962 1
86 . 1 1 14 14 CYS HB3 H 1 2.785 0.01 . 1 . . . A 14 CYS HB3 . 25962 1
87 . 1 1 15 15 THR H H 1 8.898 0.01 . 1 . . . A 15 THR H . 25962 1
88 . 1 1 15 15 THR HA H 1 4.783 0.006 . 1 . . . A 15 THR HA . 25962 1
89 . 1 1 15 15 THR HB H 1 4.642 0.01 . 1 . . . A 15 THR HB . 25962 1
90 . 1 1 15 15 THR HG21 H 1 1.486 0.01 . 1 . . . A 15 THR HG21 . 25962 1
91 . 1 1 15 15 THR HG22 H 1 1.486 0.01 . 1 . . . A 15 THR HG22 . 25962 1
92 . 1 1 15 15 THR HG23 H 1 1.486 0.01 . 1 . . . A 15 THR HG23 . 25962 1
93 . 1 1 16 16 PRO HA H 1 4.338 0.01 . 1 . . . A 16 PRO HA . 25962 1
94 . 1 1 16 16 PRO HB2 H 1 2.377 0.01 . 2 . . . A 16 PRO HB2 . 25962 1
95 . 1 1 16 16 PRO HB3 H 1 1.909 0.006 . 2 . . . A 16 PRO HB3 . 25962 1
96 . 1 1 16 16 PRO HG2 H 1 2.095 0.01 . 2 . . . A 16 PRO HG2 . 25962 1
97 . 1 1 16 16 PRO HG3 H 1 2.003 0.033 . 2 . . . A 16 PRO HG3 . 25962 1
98 . 1 1 16 16 PRO HD2 H 1 3.938 0.01 . 2 . . . A 16 PRO HD2 . 25962 1
99 . 1 1 16 16 PRO HD3 H 1 3.776 0.01 . 2 . . . A 16 PRO HD3 . 25962 1
100 . 1 1 17 17 ASP H H 1 7.625 0.01 . 1 . . . A 17 ASP H . 25962 1
101 . 1 1 17 17 ASP HA H 1 4.658 0.01 . 1 . . . A 17 ASP HA . 25962 1
102 . 1 1 17 17 ASP HB2 H 1 2.907 0.01 . 1 . . . A 17 ASP HB2 . 25962 1
103 . 1 1 17 17 ASP HB3 H 1 2.907 0.01 . 1 . . . A 17 ASP HB3 . 25962 1
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save_