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 30337
_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 $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 20 ms' . . . 30337 1
2 '2D 1H-1H ROESY' . . . 30337 1
3 '2D DQF-COSY' . . . 30337 1
4 '2D 1H-13C HSQC' . . . 30337 1
5 '2D 1H-1H TOCSY 80 ms' . . . 30337 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.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 PHE HA H 1 4.507 0.002 . 1 . . 7 . A 1 PHE HA . 30337 1
2 . 1 1 1 1 PHE HB2 H 1 3.199 0.006 . 1 . . 9 . A 1 PHE HB2 . 30337 1
3 . 1 1 1 1 PHE HB3 H 1 3.149 0.003 . 1 . . 8 . A 1 PHE HB3 . 30337 1
4 . 1 1 1 1 PHE HD1 H 1 7.240 0.001 . 1 . . 32 . A 1 PHE HD1 . 30337 1
5 . 1 1 1 1 PHE HD2 H 1 7.240 0.001 . 1 . . 32 . A 1 PHE HD2 . 30337 1
6 . 1 1 1 1 PHE H H 1 8.462 0.001 . 1 . . 6 . A 1 PHE H1 . 30337 1
7 . 1 1 1 1 PHE CA C 13 59.760 . . 1 . . 39 . A 1 PHE CA . 30337 1
8 . 1 1 1 1 PHE CB C 13 38.846 . . 1 . . 51 . A 1 PHE CB . 30337 1
9 . 1 1 2 2 VAL H H 1 8.208 0.002 . 1 . . 2 . A 2 VAL H . 30337 1
10 . 1 1 2 2 VAL HA H 1 3.832 0.002 . 1 . . 1 . A 2 VAL HA . 30337 1
11 . 1 1 2 2 VAL HB H 1 2.119 0.004 . 1 . . 3 . A 2 VAL HB . 30337 1
12 . 1 1 2 2 VAL HG11 H 1 0.953 0.003 . 2 . . 4 . A 2 VAL HG11 . 30337 1
13 . 1 1 2 2 VAL HG12 H 1 0.953 0.003 . 2 . . 4 . A 2 VAL HG12 . 30337 1
14 . 1 1 2 2 VAL HG13 H 1 0.953 0.003 . 2 . . 4 . A 2 VAL HG13 . 30337 1
15 . 1 1 2 2 VAL HG21 H 1 0.998 0.004 . 2 . . 5 . A 2 VAL HG21 . 30337 1
16 . 1 1 2 2 VAL HG22 H 1 0.998 0.004 . 2 . . 5 . A 2 VAL HG22 . 30337 1
17 . 1 1 2 2 VAL HG23 H 1 0.998 0.004 . 2 . . 5 . A 2 VAL HG23 . 30337 1
18 . 1 1 2 2 VAL CA C 13 65.860 . . 1 . . 48 . A 2 VAL CA . 30337 1
19 . 1 1 2 2 VAL CB C 13 31.341 . . 1 . . 37 . A 2 VAL CB . 30337 1
20 . 1 1 2 2 VAL CG1 C 13 20.778 . . 2 . . 43 . A 2 VAL CG1 . 30337 1
21 . 1 1 2 2 VAL CG2 C 13 21.300 . . 2 . . 42 . A 2 VAL CG2 . 30337 1
22 . 1 1 3 3 GLY H H 1 7.934 0.002 . 1 . . 26 . A 3 GLY H . 30337 1
23 . 1 1 3 3 GLY HA2 H 1 3.787 0.005 . 2 . . 27 . A 3 GLY HA2 . 30337 1
24 . 1 1 3 3 GLY HA3 H 1 4.075 0.004 . 2 . . 28 . A 3 GLY HA3 . 30337 1
25 . 1 1 3 3 GLY CA C 13 44.976 . . 1 . . 45 . A 3 GLY CA . 30337 1
26 . 1 1 4 4 GLY H H 1 8.002 0.001 . 1 . . 30 . A 4 GLY H . 30337 1
27 . 1 1 4 4 GLY HA2 H 1 3.926 0.006 . 2 . . 29 . A 4 GLY HA2 . 30337 1
28 . 1 1 4 4 GLY HA3 H 1 4.017 0.004 . 2 . . 31 . A 4 GLY HA3 . 30337 1
29 . 1 1 4 4 GLY CA C 13 45.542 . . 1 . . 46 . A 4 GLY CA . 30337 1
30 . 1 1 5 5 THR H H 1 7.918 0.005 . 1 . . 15 . A 5 THR H . 30337 1
31 . 1 1 5 5 THR HA H 1 4.674 0.003 . 1 . . 17 . A 5 THR HA . 30337 1
32 . 1 1 5 5 THR HB H 1 4.387 0.002 . 1 . . 14 . A 5 THR HB . 30337 1
33 . 1 1 5 5 THR HG21 H 1 1.129 0.002 . 1 . . 18 . A 5 THR HG21 . 30337 1
34 . 1 1 5 5 THR HG22 H 1 1.129 0.002 . 1 . . 18 . A 5 THR HG22 . 30337 1
35 . 1 1 5 5 THR HG23 H 1 1.129 0.002 . 1 . . 18 . A 5 THR HG23 . 30337 1
36 . 1 1 5 5 THR CA C 13 59.816 . . 1 . . 50 . A 5 THR CA . 30337 1
37 . 1 1 5 5 THR CB C 13 71.311 . . 1 . . 54 . A 5 THR CB . 30337 1
38 . 1 1 5 5 THR CG2 C 13 21.087 . . 1 . . 41 . A 5 THR CG2 . 30337 1
39 . 1 1 6 6 SER H H 1 8.477 0.001 . 1 . . 19 . A 6 SER H . 30337 1
40 . 1 1 6 6 SER HA H 1 4.196 0.003 . 1 . . 20 . A 6 SER HA . 30337 1
41 . 1 1 6 6 SER HB2 H 1 3.721 0.001 . 1 . . 21 . A 6 SER HB2 . 30337 1
42 . 1 1 6 6 SER CA C 13 59.740 . . 1 . . 49 . A 6 SER CA . 30337 1
43 . 1 1 6 6 SER CB C 13 63.121 . . 1 . . 47 . A 6 SER CB . 30337 1
44 . 1 1 7 7 PHE H H 1 7.700 0.002 . 1 . . 22 . A 7 PHE H . 30337 1
45 . 1 1 7 7 PHE HA H 1 4.597 0.003 . 1 . . 23 . A 7 PHE HA . 30337 1
46 . 1 1 7 7 PHE HB2 H 1 3.003 0.002 . 1 . . 24 . A 7 PHE HB2 . 30337 1
47 . 1 1 7 7 PHE HB3 H 1 3.142 0.002 . 1 . . 25 . A 7 PHE HB3 . 30337 1
48 . 1 1 7 7 PHE HD1 H 1 7.255 0.001 . 1 . . 33 . A 7 PHE HD1 . 30337 1
49 . 1 1 7 7 PHE HD2 H 1 7.255 0.001 . 1 . . 33 . A 7 PHE HD2 . 30337 1
50 . 1 1 7 7 PHE HZ H 1 7.247 0.001 . 1 . . 34 . A 7 PHE HZ . 30337 1
51 . 1 1 7 7 PHE CA C 13 57.112 . . 1 . . 55 . A 7 PHE CA . 30337 1
52 . 1 1 7 7 PHE CB C 13 39.058 0.047 . 1 . . 38 . A 7 PHE CB . 30337 1
53 . 1 1 7 7 PHE CD1 C 13 131.892 . . 1 . . 56 . A 7 PHE CD1 . 30337 1
54 . 1 1 7 7 PHE CD2 C 13 131.892 . . 1 . . 56 . A 7 PHE CD2 . 30337 1
55 . 1 1 8 8 ASP H H 1 7.627 0.003 . 1 . . 11 . A 8 ASP H . 30337 1
56 . 1 1 8 8 ASP HA H 1 4.604 0.001 . 1 . . 10 . A 8 ASP HA . 30337 1
57 . 1 1 8 8 ASP HB2 H 1 2.585 0.002 . 2 . . 12 . A 8 ASP HB2 . 30337 1
58 . 1 1 8 8 ASP HB3 H 1 2.750 0.004 . 2 . . 13 . A 8 ASP HB3 . 30337 1
59 . 1 1 8 8 ASP CA C 13 52.570 . . 1 . . 40 . A 8 ASP CA . 30337 1
60 . 1 1 8 8 ASP CB C 13 38.936 . . 1 . . 53 . A 8 ASP CB . 30337 1
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