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 19663
_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 .
_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 .
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_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' . . . 19663 1
2 '2D 1H-1H NOESY' . . . 19663 1
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_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $SPARKY . . 19663 1
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_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 ALA H H 1 8.047 0.000 . . . . . A 1 ALA H1 . 19663 1
2 . 1 1 1 1 ALA HA H 1 3.844 0.000 . . . . . A 1 ALA HA . 19663 1
3 . 1 1 1 1 ALA HB1 H 1 1.359 0.000 . . . . . A 1 ALA HB1 . 19663 1
4 . 1 1 1 1 ALA HB2 H 1 1.359 0.000 . . . . . A 1 ALA HB2 . 19663 1
5 . 1 1 1 1 ALA HB3 H 1 1.359 0.000 . . . . . A 1 ALA HB3 . 19663 1
6 . 1 1 2 2 GLY H H 1 8.057 0.000 . . . . . A 2 GLY H . 19663 1
7 . 1 1 2 2 GLY HA2 H 1 4.098 0.000 . . . . . A 2 GLY HA2 . 19663 1
8 . 1 1 2 2 GLY HA3 H 1 4.098 0.000 . . . . . A 2 GLY HA3 . 19663 1
9 . 1 1 3 3 CYS H H 1 8.147 0.004 . . . . . A 3 CYS H . 19663 1
10 . 1 1 3 3 CYS HA H 1 4.715 0.011 . . . . . A 3 CYS HA . 19663 1
11 . 1 1 3 3 CYS HB2 H 1 3.423 0.000 . . . . . A 3 CYS HB2 . 19663 1
12 . 1 1 3 3 CYS HB3 H 1 2.954 0.000 . . . . . A 3 CYS HB3 . 19663 1
13 . 1 1 4 4 LYS H H 1 8.319 0.000 . . . . . A 4 LYS H . 19663 1
14 . 1 1 4 4 LYS HA H 1 4.428 0.004 . . . . . A 4 LYS HA . 19663 1
15 . 1 1 4 4 LYS HB2 H 1 1.875 0.010 . . . . . A 4 LYS HB2 . 19663 1
16 . 1 1 4 4 LYS HG2 H 1 1.382 0.000 . . . . . A 4 LYS HG2 . 19663 1
17 . 1 1 4 4 LYS HG3 H 1 1.564 0.002 . . . . . A 4 LYS HG3 . 19663 1
18 . 1 1 4 4 LYS HE2 H 1 2.614 0.000 . . . . . A 4 LYS HE2 . 19663 1
19 . 1 1 4 4 LYS HE3 H 1 3.200 0.000 . . . . . A 4 LYS HE3 . 19663 1
20 . 1 1 4 4 LYS HZ1 H 1 7.635 0.000 . . . . . A 4 LYS HZ1 . 19663 1
21 . 1 1 4 4 LYS HZ2 H 1 7.635 0.000 . . . . . A 4 LYS HZ2 . 19663 1
22 . 1 1 4 4 LYS HZ3 H 1 7.635 0.000 . . . . . A 4 LYS HZ3 . 19663 1
23 . 1 1 5 5 ASN H H 1 8.203 0.005 . . . . . A 5 ASN H . 19663 1
24 . 1 1 5 5 ASN HA H 1 4.803 0.003 . . . . . A 5 ASN HA . 19663 1
25 . 1 1 5 5 ASN HB2 H 1 2.902 0.008 . . . . . A 5 ASN HB2 . 19663 1
26 . 1 1 5 5 ASN HB3 H 1 2.432 0.000 . . . . . A 5 ASN HB3 . 19663 1
27 . 1 1 6 6 PHE H H 1 8.461 0.000 . . . . . . 6 PHE NH . 19663 1
28 . 1 1 6 6 PHE HA H 1 4.708 0.001 . . . . . A 6 PHE HA . 19663 1
29 . 1 1 6 6 PHE HB2 H 1 2.918 0.000 . . . . . . 6 PHE HB2 . 19663 1
30 . 1 1 6 6 PHE HB3 H 1 2.671 0.000 . . . . . . 6 PHE HB3 . 19663 1
31 . 1 1 7 7 PHE H H 1 8.458 0.000 . . . . . . 7 PHE NH . 19663 1
32 . 1 1 7 7 PHE HA H 1 4.817 0.000 . . . . . A 7 PHE HA . 19663 1
33 . 1 1 7 7 PHE HB2 H 1 2.900 0.000 . . . . . . 7 PHE HB2 . 19663 1
34 . 1 1 7 7 PHE HB3 H 1 2.671 0.000 . . . . . . 7 PHE HB3 . 19663 1
35 . 1 1 8 8 TRP H H 1 8.053 0.000 . . . . . A 8 TRP H . 19663 1
36 . 1 1 8 8 TRP HA H 1 4.551 0.001 . . . . . A 8 TRP HA . 19663 1
37 . 1 1 8 8 TRP HB2 H 1 2.923 0.012 . . . . . A 8 TRP HB2 . 19663 1
38 . 1 1 8 8 TRP HB3 H 1 3.017 0.002 . . . . . A 8 TRP HB3 . 19663 1
39 . 1 1 8 8 TRP HD1 H 1 7.365 0.008 . . . . . A 8 TRP HD1 . 19663 1
40 . 1 1 8 8 TRP HE1 H 1 10.197 0.000 . . . . . A 8 TRP HE1 . 19663 1
41 . 1 1 8 8 TRP HE3 H 1 7.237 0.006 . . . . . A 8 TRP HE3 . 19663 1
42 . 1 1 8 8 TRP HZ2 H 1 7.495 0.004 . . . . . A 8 TRP HZ2 . 19663 1
43 . 1 1 8 8 TRP HZ3 H 1 7.548 0.001 . . . . . A 8 TRP HZ3 . 19663 1
44 . 1 1 8 8 TRP HH2 H 1 6.953 0.001 . . . . . A 8 TRP HH2 . 19663 1
45 . 1 1 9 9 LYS H H 1 7.754 0.000 . . . . . A 9 LYS H . 19663 1
46 . 1 1 9 9 LYS HA H 1 4.394 0.000 . . . . . A 9 LYS HA . 19663 1
47 . 1 1 9 9 LYS HB2 H 1 1.766 0.010 . . . . . A 9 LYS HB2 . 19663 1
48 . 1 1 9 9 LYS HG2 H 1 1.471 0.000 . . . . . A 9 LYS HG2 . 19663 1
49 . 1 1 9 9 LYS HG3 H 1 1.335 0.005 . . . . . A 9 LYS HG3 . 19663 1
50 . 1 1 9 9 LYS HE2 H 1 2.751 0.000 . . . . . A 9 LYS HE2 . 19663 1
51 . 1 1 9 9 LYS HE3 H 1 2.751 0.000 . . . . . A 9 LYS HE3 . 19663 1
52 . 1 1 10 10 THR H H 1 7.853 0.004 . . . . . A 10 THR H . 19663 1
53 . 1 1 10 10 THR HA H 1 4.421 0.000 . . . . . A 10 THR HA . 19663 1
54 . 1 1 10 10 THR HB H 1 4.300 0.000 . . . . . A 10 THR HB . 19663 1
55 . 1 1 10 10 THR HG21 H 1 1.247 0.003 . . . . . A 10 THR HG21 . 19663 1
56 . 1 1 10 10 THR HG22 H 1 1.247 0.003 . . . . . A 10 THR HG22 . 19663 1
57 . 1 1 10 10 THR HG23 H 1 1.247 0.003 . . . . . A 10 THR HG23 . 19663 1
58 . 1 1 11 11 PHE H H 1 8.048 0.000 . . . . . . 11 PHE NH . 19663 1
59 . 1 1 11 11 PHE HA H 1 4.552 0.004 . . . . . A 11 PHE HA . 19663 1
60 . 1 1 11 11 PHE HB2 H 1 3.145 0.003 . . . . . . 11 PHE HB2 . 19663 1
61 . 1 1 11 11 PHE HB3 H 1 2.829 0.000 . . . . . . 11 PHE HB3 . 19663 1
62 . 1 1 12 12 THR H H 1 8.047 0.004 . . . . . A 12 THR H . 19663 1
63 . 1 1 12 12 THR HA H 1 4.610 0.000 . . . . . A 12 THR HA . 19663 1
64 . 1 1 12 12 THR HB H 1 4.390 0.000 . . . . . A 12 THR HB . 19663 1
65 . 1 1 12 12 THR HG21 H 1 1.347 0.001 . . . . . A 12 THR HG21 . 19663 1
66 . 1 1 12 12 THR HG22 H 1 1.347 0.001 . . . . . A 12 THR HG22 . 19663 1
67 . 1 1 12 12 THR HG23 H 1 1.347 0.001 . . . . . A 12 THR HG23 . 19663 1
68 . 1 1 13 13 SER H H 1 7.633 0.004 . . . . . A 13 SER H . 19663 1
69 . 1 1 13 13 SER HA H 1 4.726 0.004 . . . . . A 13 SER HA . 19663 1
70 . 1 1 13 13 SER HB2 H 1 3.423 0.001 . . . . . A 13 SER HB2 . 19663 1
71 . 1 1 14 14 CYS H H 1 8.112 0.015 . . . . . A 14 CYS H . 19663 1
72 . 1 1 14 14 CYS HA H 1 4.812 0.003 . . . . . A 14 CYS HA . 19663 1
73 . 1 1 14 14 CYS HB2 H 1 3.362 0.000 . . . . . A 14 CYS HB2 . 19663 1
74 . 1 1 14 14 CYS HB3 H 1 3.245 0.003 . . . . . A 14 CYS HB3 . 19663 1
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