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 25963
_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 25963 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 25963 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 3.889 0.01 . 2 . . . A 1 GLY HA2 . 25963 1
2 . 1 1 1 1 GLY HA3 H 1 3.889 0.01 . 2 . . . A 1 GLY HA3 . 25963 1
3 . 1 1 2 2 CYS H H 1 8.923 0.01 . 1 . . . A 2 CYS H . 25963 1
4 . 1 1 2 2 CYS HA H 1 5.812 0.01 . 1 . . . A 2 CYS HA . 25963 1
5 . 1 1 2 2 CYS HB2 H 1 2.909 0.01 . 2 . . . A 2 CYS HB2 . 25963 1
6 . 1 1 2 2 CYS HB3 H 1 2.868 0.003 . 2 . . . A 2 CYS HB1 . 25963 1
7 . 1 1 3 3 TYR H H 1 8.944 0.01 . 1 . . . A 3 TYR H . 25963 1
8 . 1 1 3 3 TYR HA H 1 5.108 0.01 . 1 . . . A 3 TYR HA . 25963 1
9 . 1 1 3 3 TYR HB2 H 1 3.105 0.01 . 2 . . . A 3 TYR HB2 . 25963 1
10 . 1 1 3 3 TYR HB3 H 1 2.829 0.01 . 2 . . . A 3 TYR HB1 . 25963 1
11 . 1 1 3 3 TYR HD1 H 1 7.004 0.01 . 3 . . . A 3 TYR HD1 . 25963 1
12 . 1 1 3 3 TYR HD2 H 1 7.004 0.01 . 3 . . . A 3 TYR HD2 . 25963 1
13 . 1 1 3 3 TYR HE1 H 1 6.602 0.001 . 3 . . . A 3 TYR HE1 . 25963 1
14 . 1 1 3 3 TYR HE2 H 1 6.602 0.001 . 3 . . . A 3 TYR HE2 . 25963 1
15 . 1 1 4 4 PRO HA H 1 5.208 0.01 . 1 . . . A 4 PRO HA . 25963 1
16 . 1 1 4 4 PRO HB2 H 1 2.379 0.01 . 2 . . . A 4 PRO HB2 . 25963 1
17 . 1 1 4 4 PRO HB3 H 1 1.932 0.01 . 2 . . . A 4 PRO HB1 . 25963 1
18 . 1 1 4 4 PRO HG2 H 1 2.193 0.01 . 2 . . . A 4 PRO HG2 . 25963 1
19 . 1 1 4 4 PRO HG3 H 1 2.087 0.01 . 2 . . . A 4 PRO HG1 . 25963 1
20 . 1 1 4 4 PRO HD2 H 1 3.880 0.01 . 2 . . . A 4 PRO HD2 . 25963 1
21 . 1 1 4 4 PRO HD3 H 1 3.833 0.01 . 2 . . . A 4 PRO HD1 . 25963 1
22 . 1 1 5 5 VAL H H 1 7.546 0.01 . 1 . . . A 5 VAL H . 25963 1
23 . 1 1 5 5 VAL HA H 1 4.687 0.002 . 1 . . . A 5 VAL HA . 25963 1
24 . 1 1 5 5 VAL HB H 1 1.616 0.01 . 1 . . . A 5 VAL HB . 25963 1
25 . 1 1 5 5 VAL HG11 H 1 0.940 0.01 . 2 . . . A 5 VAL HG11 . 25963 1
26 . 1 1 5 5 VAL HG12 H 1 0.940 0.01 . 2 . . . A 5 VAL HG12 . 25963 1
27 . 1 1 5 5 VAL HG13 H 1 0.940 0.01 . 2 . . . A 5 VAL HG13 . 25963 1
28 . 1 1 5 5 VAL HG21 H 1 0.340 0.01 . 2 . . . A 5 VAL HG21 . 25963 1
29 . 1 1 5 5 VAL HG22 H 1 0.340 0.01 . 2 . . . A 5 VAL HG22 . 25963 1
30 . 1 1 5 5 VAL HG23 H 1 0.340 0.01 . 2 . . . A 5 VAL HG23 . 25963 1
31 . 1 1 6 6 PRO HA H 1 4.711 0.01 . 1 . . . A 6 PRO HA . 25963 1
32 . 1 1 6 6 PRO HB2 H 1 2.286 0.01 . 2 . . . A 6 PRO HB2 . 25963 1
33 . 1 1 6 6 PRO HB3 H 1 1.897 0.01 . 2 . . . A 6 PRO HB1 . 25963 1
34 . 1 1 6 6 PRO HG2 H 1 2.046 0.01 . 2 . . . A 6 PRO HG2 . 25963 1
35 . 1 1 6 6 PRO HG3 H 1 1.897 0.01 . 2 . . . A 6 PRO HG1 . 25963 1
36 . 1 1 6 6 PRO HD2 H 1 3.610 0.003 . 2 . . . A 6 PRO HD2 . 25963 1
37 . 1 1 6 6 PRO HD3 H 1 3.469 0.001 . 2 . . . A 6 PRO HD1 . 25963 1
38 . 1 1 7 7 TYR H H 1 6.572 0.01 . 1 . . . A 7 TYR H . 25963 1
39 . 1 1 7 7 TYR HA H 1 4.897 0.005 . 1 . . . A 7 TYR HA . 25963 1
40 . 1 1 7 7 TYR HB2 H 1 2.927 0.01 . 2 . . . A 7 TYR HB2 . 25963 1
41 . 1 1 7 7 TYR HB3 H 1 2.816 0.01 . 2 . . . A 7 TYR HB1 . 25963 1
42 . 1 1 7 7 TYR HD1 H 1 6.926 0.01 . 3 . . . A 7 TYR HD1 . 25963 1
43 . 1 1 7 7 TYR HD2 H 1 6.926 0.01 . 3 . . . A 7 TYR HD2 . 25963 1
44 . 1 1 7 7 TYR HE1 H 1 6.625 0.002 . 3 . . . A 7 TYR HE1 . 25963 1
45 . 1 1 7 7 TYR HE2 H 1 6.625 0.002 . 3 . . . A 7 TYR HE2 . 25963 1
46 . 1 1 8 8 PRO HA H 1 2.852 0.01 . 1 . . . A 8 PRO HA . 25963 1
47 . 1 1 8 8 PRO HB2 H 1 1.999 0.01 . 2 . . . A 8 PRO HB2 . 25963 1
48 . 1 1 8 8 PRO HB3 H 1 1.647 0.01 . 2 . . . A 8 PRO HB1 . 25963 1
49 . 1 1 8 8 PRO HG2 H 1 2.036 0.01 . 2 . . . A 8 PRO HG2 . 25963 1
50 . 1 1 8 8 PRO HG3 H 1 1.913 0.001 . 2 . . . A 8 PRO HG1 . 25963 1
51 . 1 1 8 8 PRO HD2 H 1 3.656 0.01 . 2 . . . A 8 PRO HD2 . 25963 1
52 . 1 1 8 8 PRO HD3 H 1 3.569 0.01 . 2 . . . A 8 PRO HD1 . 25963 1
53 . 1 1 9 9 PRO HA H 1 4.199 0.01 . 1 . . . A 9 PRO HA . 25963 1
54 . 1 1 9 9 PRO HB2 H 1 2.609 0.003 . 2 . . . A 9 PRO HB2 . 25963 1
55 . 1 1 9 9 PRO HB3 H 1 1.973 0.01 . 2 . . . A 9 PRO HB1 . 25963 1
56 . 1 1 9 9 PRO HG2 H 1 1.730 0.006 . 2 . . . A 9 PRO HG2 . 25963 1
57 . 1 1 9 9 PRO HG3 H 1 1.626 0.01 . 2 . . . A 9 PRO HG1 . 25963 1
58 . 1 1 9 9 PRO HD2 H 1 3.402 0.01 . 2 . . . A 9 PRO HD2 . 25963 1
59 . 1 1 9 9 PRO HD3 H 1 3.314 0.01 . 2 . . . A 9 PRO HD1 . 25963 1
60 . 1 1 10 10 PHE H H 1 9.132 0.01 . 1 . . . A 10 PHE H . 25963 1
61 . 1 1 10 10 PHE HA H 1 4.688 0.01 . 1 . . . A 10 PHE HA . 25963 1
62 . 1 1 10 10 PHE HB2 H 1 3.658 0.001 . 2 . . . A 10 PHE HB2 . 25963 1
63 . 1 1 10 10 PHE HB3 H 1 3.439 0.01 . 2 . . . A 10 PHE HB1 . 25963 1
64 . 1 1 10 10 PHE HD1 H 1 7.242 0.01 . 3 . . . A 10 PHE HD1 . 25963 1
65 . 1 1 10 10 PHE HD2 H 1 7.242 0.01 . 3 . . . A 10 PHE HD2 . 25963 1
66 . 1 1 10 10 PHE HE1 H 1 7.547 0.01 . 3 . . . A 10 PHE HE1 . 25963 1
67 . 1 1 10 10 PHE HE2 H 1 7.547 0.01 . 3 . . . A 10 PHE HE2 . 25963 1
68 . 1 1 11 11 PHE H H 1 7.353 0.01 . 1 . . . A 11 PHE H . 25963 1
69 . 1 1 11 11 PHE HA H 1 5.450 0.002 . 1 . . . A 11 PHE HA . 25963 1
70 . 1 1 11 11 PHE HB2 H 1 3.078 0.005 . 2 . . . A 11 PHE HB2 . 25963 1
71 . 1 1 11 11 PHE HB3 H 1 2.747 0.002 . 2 . . . A 11 PHE HB1 . 25963 1
72 . 1 1 11 11 PHE HD1 H 1 7.100 0.002 . 3 . . . A 11 PHE HD1 . 25963 1
73 . 1 1 11 11 PHE HD2 H 1 7.100 0.002 . 3 . . . A 11 PHE HD2 . 25963 1
74 . 1 1 11 11 PHE HE1 H 1 7.197 0.001 . 3 . . . A 11 PHE HE1 . 25963 1
75 . 1 1 11 11 PHE HE2 H 1 7.197 0.001 . 3 . . . A 11 PHE HE2 . 25963 1
76 . 1 1 12 12 THR H H 1 8.617 0.01 . 1 . . . A 12 THR H . 25963 1
77 . 1 1 12 12 THR HA H 1 4.423 0.01 . 1 . . . A 12 THR HA . 25963 1
78 . 1 1 12 12 THR HB H 1 3.789 0.004 . 1 . . . A 12 THR HB . 25963 1
79 . 1 1 12 12 THR HG21 H 1 0.951 0.01 . 1 . . . A 12 THR HG21 . 25963 1
80 . 1 1 12 12 THR HG22 H 1 0.951 0.01 . 1 . . . A 12 THR HG22 . 25963 1
81 . 1 1 12 12 THR HG23 H 1 0.951 0.01 . 1 . . . A 12 THR HG23 . 25963 1
82 . 1 1 13 13 CYS H H 1 8.473 0.01 . 1 . . . A 13 CYS H . 25963 1
83 . 1 1 13 13 CYS HA H 1 5.564 0.001 . 1 . . . A 13 CYS HA . 25963 1
84 . 1 1 13 13 CYS HB2 H 1 2.923 0.001 . 2 . . . A 13 CYS HB2 . 25963 1
85 . 1 1 13 13 CYS HB3 H 1 2.887 0.002 . 2 . . . A 13 CYS HB1 . 25963 1
86 . 1 1 14 14 ASP H H 1 8.792 0.01 . 1 . . . A 14 ASP H . 25963 1
87 . 1 1 14 14 ASP HA H 1 5.179 0.004 . 1 . . . A 14 ASP HA . 25963 1
88 . 1 1 14 14 ASP HB2 H 1 3.094 0.01 . 2 . . . A 14 ASP HB2 . 25963 1
89 . 1 1 14 14 ASP HB3 H 1 2.861 0.01 . 2 . . . A 14 ASP HB1 . 25963 1
90 . 1 1 15 15 PRO HA H 1 4.500 0.01 . 1 . . . A 15 PRO HA . 25963 1
91 . 1 1 15 15 PRO HB2 H 1 2.247 0.01 . 2 . . . A 15 PRO HB2 . 25963 1
92 . 1 1 15 15 PRO HB3 H 1 2.029 0.01 . 2 . . . A 15 PRO HB1 . 25963 1
93 . 1 1 15 15 PRO HG2 H 1 2.093 0.01 . 2 . . . A 15 PRO HG2 . 25963 1
94 . 1 1 15 15 PRO HG3 H 1 2.093 0.01 . 2 . . . A 15 PRO HG1 . 25963 1
95 . 1 1 15 15 PRO HD2 H 1 3.850 0.001 . 2 . . . A 15 PRO HD2 . 25963 1
96 . 1 1 15 15 PRO HD3 H 1 3.850 0.001 . 2 . . . A 15 PRO HD1 . 25963 1
97 . 1 1 16 16 ASN H H 1 8.263 0.01 . 1 . . . A 16 ASN H . 25963 1
98 . 1 1 16 16 ASN HA H 1 4.741 0.01 . 1 . . . A 16 ASN HA . 25963 1
99 . 1 1 16 16 ASN HB2 H 1 2.855 0.01 . 2 . . . A 16 ASN HB2 . 25963 1
100 . 1 1 16 16 ASN HB3 H 1 2.743 0.003 . 2 . . . A 16 ASN HB1 . 25963 1
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save_