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 25741
_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 .
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' . . . 25741 1
2 '2D 1H-1H NOESY' . . . 25741 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 DVA H1 H 1 7.7087 0.0000 . 1 . . . A 1 DVA H1 . 25741 1
2 . 1 1 1 1 DVA HA H 1 4.2928 0.0000 . 1 . . . A 1 DVA HA . 25741 1
3 . 1 1 1 1 DVA HB H 1 2.0951 0.0000 . 1 . . . A 1 DVA HB . 25741 1
4 . 1 1 1 1 DVA HG11 H 1 0.8998 0.0000 . 2 . . . A 1 DVA HG11 . 25741 1
5 . 1 1 1 1 DVA HG12 H 1 0.8998 0.0000 . 2 . . . A 1 DVA HG11 . 25741 1
6 . 1 1 1 1 DVA HG13 H 1 0.8998 0.0000 . 2 . . . A 1 DVA HG11 . 25741 1
7 . 1 1 1 1 DVA HG21 H 1 0.8998 0.0000 . 2 . . . A 1 DVA HG21 . 25741 1
8 . 1 1 1 1 DVA HG22 H 1 0.8998 0.0000 . 2 . . . A 1 DVA HG21 . 25741 1
9 . 1 1 1 1 DVA HG23 H 1 0.8998 0.0000 . 2 . . . A 1 DVA HG21 . 25741 1
10 . 1 1 2 2 4FO H H 1 8.5923 0.0000 . 1 . . . A 2 4FO H . 25741 1
11 . 1 1 2 2 4FO HA H 1 4.9228 0.0000 . 1 . . . A 2 4FO HA . 25741 1
12 . 1 1 2 2 4FO HB2 H 1 2.1503 0.0000 . 2 . . . A 2 4FO HB2 . 25741 1
13 . 1 1 2 2 4FO HB3 H 1 1.9929 0.0000 . 2 . . . A 2 4FO HB3 . 25741 1
14 . 1 1 2 2 4FO HG2 H 1 2.9270 0.0000 . 2 . . . A 2 4FO HG2 . 25741 1
15 . 1 1 2 2 4FO HG3 H 1 2.9308 0.0000 . 2 . . . A 2 4FO HG3 . 25741 1
16 . 1 1 3 3 GLY H H 1 8.4556 0.0000 . 1 . . . A 3 GLY H . 25741 1
17 . 1 1 3 3 GLY HA2 H 1 4.0653 0.0000 . 2 . . . A 3 GLY HA2 . 25741 1
18 . 1 1 3 3 GLY HA3 H 1 3.8393 0.0000 . 2 . . . A 3 GLY HA3 . 25741 1
19 . 1 1 4 4 DSN H H 1 8.1429 0.0000 . 1 . . . A 4 DSN H . 25741 1
20 . 1 1 4 4 DSN HA H 1 4.8482 0.0000 . 1 . . . A 4 DSN HA . 25741 1
21 . 1 1 4 4 DSN HB2 H 1 3.6434 0.0000 . 2 . . . A 4 DSN HB2 . 25741 1
22 . 1 1 4 4 DSN HB3 H 1 3.6434 0.0000 . 2 . . . A 4 DSN HB3 . 25741 1
23 . 1 1 5 5 DTR H H 1 8.4851 0.0000 . 1 . . . A 5 DTR H . 25741 1
24 . 1 1 5 5 DTR HA H 1 4.7587 0.0000 . 1 . . . A 5 DTR HA . 25741 1
25 . 1 1 5 5 DTR HB2 H 1 3.1545 0.0000 . 2 . . . A 5 DTR HB2 . 25741 1
26 . 1 1 5 5 DTR HB3 H 1 3.1544 0.0000 . 2 . . . A 5 DTR HB3 . 25741 1
27 . 1 1 5 5 DTR HD1 H 1 7.2498 0.0000 . 1 . . . A 5 DTR HD1 . 25741 1
28 . 1 1 5 5 DTR HE1 H 1 10.5248 0.0000 . 1 . . . A 5 DTR HE1 . 25741 1
29 . 1 1 5 5 DTR HE3 H 1 7.5014 0.0000 . 1 . . . A 5 DTR HE3 . 25741 1
30 . 1 1 5 5 DTR HH2 H 1 7.0243 0.0000 . 1 . . . A 5 DTR HH2 . 25741 1
31 . 1 1 5 5 DTR HZ2 H 1 7.4141 0.0000 . 1 . . . A 5 DTR HZ2 . 25741 1
32 . 1 1 5 5 DTR HZ3 H 1 6.9472 0.0000 . 1 . . . A 5 DTR HZ3 . 25741 1
33 . 1 1 6 6 SER H H 1 8.6218 0.0000 . 1 . . . A 6 SER H . 25741 1
34 . 1 1 6 6 SER HA H 1 3.9938 0.0000 . 1 . . . A 6 SER HA . 25741 1
35 . 1 1 6 6 SER HB2 H 1 3.7382 0.0000 . 2 . . . A 6 SER HB2 . 25741 1
36 . 1 1 6 6 SER HB3 H 1 3.4960 0.0000 . 2 . . . A 6 SER HB3 . 25741 1
37 . 1 1 7 7 DAB H H 1 8.5442 0.0000 . 1 . . . A 7 DAB H . 25741 1
38 . 1 1 7 7 DAB HA H 1 4.3247 0.0000 . 1 . . . A 7 DAB HA . 25741 1
39 . 1 1 7 7 DAB HB2 H 1 2.1534 0.0000 . 2 . . . A 7 DAB HB2 . 25741 1
40 . 1 1 7 7 DAB HB3 H 1 1.9753 0.0000 . 2 . . . A 7 DAB HB3 . 25741 1
41 . 1 1 7 7 DAB HG2 H 1 3.0104 0.0000 . 2 . . . A 7 DAB HG2 . 25741 1
42 . 1 1 7 7 DAB HG3 H 1 3.0127 0.0000 . 2 . . . A 7 DAB HG3 . 25741 1
43 . 1 1 8 8 4FO H H 1 7.9073 0.0000 . 1 . . . A 8 4FO H . 25741 1
44 . 1 1 8 8 4FO HA H 1 4.4886 0.0000 . 1 . . . A 8 4FO HA . 25741 1
45 . 1 1 8 8 4FO HB2 H 1 2.0442 0.0000 . 2 . . . A 8 4FO HB2 . 25741 1
46 . 1 1 8 8 4FO HB3 H 1 1.8089 0.0000 . 2 . . . A 8 4FO HB3 . 25741 1
47 . 1 1 8 8 4FO HG2 H 1 2.8130 0.0000 . 2 . . . A 8 4FO HG2 . 25741 1
48 . 1 1 8 8 4FO HG3 H 1 2.8158 0.0000 . 2 . . . A 8 4FO HG3 . 25741 1
49 . 1 1 9 9 PHE H H 1 8.6407 0.0000 . 1 . . . A 9 PHE H . 25741 1
50 . 1 1 9 9 PHE HA H 1 4.8875 0.0000 . 1 . . . A 9 PHE HA . 25741 1
51 . 1 1 9 9 PHE HB2 H 1 3.0756 0.0000 . 2 . . . A 9 PHE HB2 . 25741 1
52 . 1 1 9 9 PHE HB3 H 1 2.9114 0.0000 . 2 . . . A 9 PHE HB3 . 25741 1
53 . 1 1 9 9 PHE HD1 H 1 7.2824 0.0000 . 3 . . . A 9 PHE HD1 . 25741 1
54 . 1 1 9 9 PHE HD2 H 1 7.2148 0.0000 . 3 . . . A 9 PHE HD2 . 25741 1
55 . 1 1 9 9 PHE HE1 H 1 7.1436 0.0000 . 3 . . . A 9 PHE HE1 . 25741 1
56 . 1 1 9 9 PHE HE2 H 1 7.1430 0.0000 . 3 . . . A 9 PHE HE2 . 25741 1
57 . 1 1 10 10 GLU H H 1 8.3927 0.0000 . 1 . . . A 10 GLU H . 25741 1
58 . 1 1 10 10 GLU HA H 1 4.5399 0.0000 . 1 . . . A 10 GLU HA . 25741 1
59 . 1 1 10 10 GLU HB2 H 1 1.9621 0.0000 . 2 . . . A 10 GLU HB2 . 25741 1
60 . 1 1 10 10 GLU HB3 H 1 1.8339 0.0000 . 2 . . . A 10 GLU HB3 . 25741 1
61 . 1 1 10 10 GLU HG2 H 1 2.1960 0.0000 . 2 . . . A 10 GLU HG2 . 25741 1
62 . 1 1 10 10 GLU HG3 H 1 2.1713 0.0000 . 2 . . . A 10 GLU HG3 . 25741 1
63 . 1 1 11 11 VAL H H 1 8.2296 0.0000 . 1 . . . A 11 VAL H . 25741 1
64 . 1 1 11 11 VAL HA H 1 4.5548 0.0000 . 1 . . . A 11 VAL HA . 25741 1
65 . 1 1 11 11 VAL HB H 1 1.9607 0.0000 . 1 . . . A 11 VAL HB . 25741 1
66 . 1 1 11 11 VAL HG11 H 1 0.9180 0.0000 . 2 . . . A 11 VAL HG11 . 25741 1
67 . 1 1 11 11 VAL HG12 H 1 0.9180 0.0000 . 2 . . . A 11 VAL HG12 . 25741 1
68 . 1 1 11 11 VAL HG13 H 1 0.9180 0.0000 . 2 . . . A 11 VAL HG13 . 25741 1
69 . 1 1 11 11 VAL HG21 H 1 0.9194 0.0000 . 2 . . . A 11 VAL HG21 . 25741 1
70 . 1 1 11 11 VAL HG22 H 1 0.9194 0.0000 . 2 . . . A 11 VAL HG22 . 25741 1
71 . 1 1 11 11 VAL HG23 H 1 0.9194 0.0000 . 2 . . . A 11 VAL HG23 . 25741 1
72 . 1 1 12 12 28J H20 H 1 8.1460 0.0000 . 1 . . . A 12 28J H20 . 25741 1
73 . 1 1 12 12 28J H21 H 1 4.1142 0.0000 . 1 . . . A 12 28J H21 . 25741 1
74 . 1 1 12 12 28J H26 H 1 1.3133 0.0000 . 2 . . . A 12 28J H26 . 25741 1
75 . 1 1 13 13 ALA H H 1 7.9346 0.0000 . 1 . . . A 13 ALA H . 25741 1
76 . 1 1 13 13 ALA HA H 1 4.1132 0.0000 . 1 . . . A 13 ALA HA . 25741 1
77 . 1 1 13 13 ALA HB1 H 1 1.3091 0.0000 . 1 . . . A 13 ALA HB1 . 25741 1
78 . 1 1 13 13 ALA HB2 H 1 1.3091 0.0000 . 1 . . . A 13 ALA HB2 . 25741 1
79 . 1 1 13 13 ALA HB3 H 1 1.3091 0.0000 . 1 . . . A 13 ALA HB3 . 25741 1
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