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 30886
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3
_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' . . . 30886 1
2 '2D 1H-1H NOESY' . . . 30886 1
3 '2D 1H-13C HSQC' . . . 30886 1
4 '2D 1H-15N HSQC' . . . 30886 1
5 '2D 1H-1H TOCSY' . . . 30886 1
6 '2D 1H-1H TOCSY' . . . 30886 1
7 '2D 1H-1H TOCSY' . . . 30886 1
8 '2D 1H-1H TOCSY' . . . 30886 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 THR H H 1 7.368 0.000 . . . . . A A 1 THR H1 . 30886 1
2 . 1 . 1 1 1 THR HA H 1 4.750 0.002 . . . . . A A 1 THR HA . 30886 1
3 . 1 . 1 1 1 THR HB H 1 4.175 0.000 . . . . . A A 1 THR HB . 30886 1
4 . 1 . 1 1 1 THR HG21 H 1 1.028 0.000 . . . . . A A 1 THR HG21 . 30886 1
5 . 1 . 1 1 1 THR HG22 H 1 1.028 0.000 . . . . . A A 1 THR HG22 . 30886 1
6 . 1 . 1 1 1 THR HG23 H 1 1.028 0.000 . . . . . A A 1 THR HG23 . 30886 1
7 . 1 . 1 1 1 THR CA C 13 58.935 0.000 . . . . . A A 1 THR CA . 30886 1
8 . 1 . 1 1 1 THR CB C 13 72.677 0.000 . . . . . A A 1 THR CB . 30886 1
9 . 1 . 1 1 1 THR CG2 C 13 21.132 0.000 . . . . . A A 1 THR CG2 . 30886 1
10 . 1 . 1 1 1 THR N N 15 105.567 0.000 . . . . . A A 1 THR N . 30886 1
11 . 1 . 1 2 2 PHE H H 1 8.292 0.000 . . . . . A A 2 PHE H . 30886 1
12 . 1 . 1 2 2 PHE HA H 1 4.112 0.000 . . . . . A A 2 PHE HA . 30886 1
13 . 1 . 1 2 2 PHE HB2 H 1 3.028 0.000 . . . . . A A 2 PHE HB2 . 30886 1
14 . 1 . 1 2 2 PHE HB3 H 1 2.791 0.002 . . . . . A A 2 PHE HB3 . 30886 1
15 . 1 . 1 2 2 PHE CA C 13 60.198 0.000 . . . . . A A 2 PHE CA . 30886 1
16 . 1 . 1 2 2 PHE CB C 13 38.679 0.000 . . . . . A A 2 PHE CB . 30886 1
17 . 1 . 1 2 2 PHE N N 15 118.355 0.000 . . . . . A A 2 PHE N . 30886 1
18 . 1 . 1 3 3 PHE H H 1 6.952 0.000 . . . . . A A 3 PHE H . 30886 1
19 . 1 . 1 3 3 PHE HA H 1 4.472 0.000 . . . . . A A 3 PHE HA . 30886 1
20 . 1 . 1 3 3 PHE HB2 H 1 3.001 0.000 . . . . . A A 3 PHE HB2 . 30886 1
21 . 1 . 1 3 3 PHE HB3 H 1 2.951 0.000 . . . . . A A 3 PHE HB3 . 30886 1
22 . 1 . 1 3 3 PHE CB C 13 39.166 0.000 . . . . . A A 3 PHE CB . 30886 1
23 . 1 . 1 3 3 PHE N N 15 109.340 0.000 . . . . . A A 3 PHE N . 30886 1
24 . 1 . 1 4 4 ASN H H 1 7.093 0.000 . . . . . A A 4 ASN H . 30886 1
25 . 1 . 1 4 4 ASN HA H 1 4.899 0.006 . . . . . A A 4 ASN HA . 30886 1
26 . 1 . 1 4 4 ASN HB2 H 1 2.680 0.000 . . . . . A A 4 ASN HB2 . 30886 1
27 . 1 . 1 4 4 ASN HB3 H 1 2.610 0.000 . . . . . A A 4 ASN HB3 . 30886 1
28 . 1 . 1 4 4 ASN CA C 13 50.247 0.000 . . . . . A A 4 ASN CA . 30886 1
29 . 1 . 1 4 4 ASN CB C 13 38.471 0.000 . . . . . A A 4 ASN CB . 30886 1
30 . 1 . 1 4 4 ASN N N 15 114.917 0.000 . . . . . A A 4 ASN N . 30886 1
31 . 1 . 1 5 5 PRO HA H 1 4.403 0.002 . . . . . A A 5 PRO HA . 30886 1
32 . 1 . 1 5 5 PRO HB2 H 1 2.413 0.000 . . . . . A A 5 PRO HB2 . 30886 1
33 . 1 . 1 5 5 PRO HB3 H 1 1.949 0.004 . . . . . A A 5 PRO HB3 . 30886 1
34 . 1 . 1 5 5 PRO HG2 H 1 2.035 0.000 . . . . . A A 5 PRO HG2 . 30886 1
35 . 1 . 1 5 5 PRO HG3 H 1 2.004 0.000 . . . . . A A 5 PRO HG3 . 30886 1
36 . 1 . 1 5 5 PRO HD2 H 1 3.833 0.001 . . . . . A A 5 PRO HD2 . 30886 1
37 . 1 . 1 5 5 PRO HD3 H 1 3.502 0.003 . . . . . A A 5 PRO HD3 . 30886 1
38 . 1 . 1 5 5 PRO CA C 13 64.674 0.000 . . . . . A A 5 PRO CA . 30886 1
39 . 1 . 1 5 5 PRO CB C 13 32.294 0.000 . . . . . A A 5 PRO CB . 30886 1
40 . 1 . 1 5 5 PRO CG C 13 27.064 0.000 . . . . . A A 5 PRO CG . 30886 1
41 . 1 . 1 5 5 PRO CD C 13 50.563 0.000 . . . . . A A 5 PRO CD . 30886 1
42 . 1 . 1 6 6 VAL H H 1 7.557 0.000 . . . . . A A 6 VAL H . 30886 1
43 . 1 . 1 6 6 VAL HA H 1 3.756 0.000 . . . . . A A 6 VAL HA . 30886 1
44 . 1 . 1 6 6 VAL HB H 1 2.130 0.000 . . . . . A A 6 VAL HB . 30886 1
45 . 1 . 1 6 6 VAL HG11 H 1 1.054 0.000 . . . . . A A 6 VAL HG11 . 30886 1
46 . 1 . 1 6 6 VAL HG12 H 1 1.054 0.000 . . . . . A A 6 VAL HG12 . 30886 1
47 . 1 . 1 6 6 VAL HG13 H 1 1.054 0.000 . . . . . A A 6 VAL HG13 . 30886 1
48 . 1 . 1 6 6 VAL HG21 H 1 0.965 0.000 . . . . . A A 6 VAL HG21 . 30886 1
49 . 1 . 1 6 6 VAL HG22 H 1 0.965 0.000 . . . . . A A 6 VAL HG22 . 30886 1
50 . 1 . 1 6 6 VAL HG23 H 1 0.965 0.000 . . . . . A A 6 VAL HG23 . 30886 1
51 . 1 . 1 6 6 VAL CA C 13 65.358 0.000 . . . . . A A 6 VAL CA . 30886 1
52 . 1 . 1 6 6 VAL CB C 13 31.469 0.000 . . . . . A A 6 VAL CB . 30886 1
53 . 1 . 1 6 6 VAL CG1 C 13 22.395 0.000 . . . . . A A 6 VAL CG1 . 30886 1
54 . 1 . 1 6 6 VAL CG2 C 13 21.290 0.000 . . . . . A A 6 VAL CG2 . 30886 1
55 . 1 . 1 6 6 VAL N N 15 116.992 0.000 . . . . . A A 6 VAL N . 30886 1
56 . 1 . 1 7 7 ILE H H 1 6.986 0.000 . . . . . A A 7 ILE H . 30886 1
57 . 1 . 1 7 7 ILE HA H 1 4.557 0.000 . . . . . A A 7 ILE HA . 30886 1
58 . 1 . 1 7 7 ILE HB H 1 2.195 0.000 . . . . . A A 7 ILE HB . 30886 1
59 . 1 . 1 7 7 ILE HD11 H 1 0.813 0.000 . . . . . A A 7 ILE HD11 . 30886 1
60 . 1 . 1 7 7 ILE HD12 H 1 0.813 0.000 . . . . . A A 7 ILE HD12 . 30886 1
61 . 1 . 1 7 7 ILE HD13 H 1 0.813 0.000 . . . . . A A 7 ILE HD13 . 30886 1
62 . 1 . 1 7 7 ILE CB C 13 36.869 0.000 . . . . . A A 7 ILE CB . 30886 1
63 . 1 . 1 7 7 ILE CD1 C 13 17.551 0.000 . . . . . A A 7 ILE CD1 . 30886 1
64 . 1 . 1 7 7 ILE N N 15 109.026 0.000 . . . . . A A 7 ILE N . 30886 1
65 . 1 . 1 8 8 ASP H H 1 7.751 0.000 . . . . . A A 8 ASP H . 30886 1
66 . 1 . 1 8 8 ASP HA H 1 4.235 0.000 . . . . . A A 8 ASP HA . 30886 1
67 . 1 . 1 8 8 ASP HB2 H 1 3.198 0.000 . . . . . A A 8 ASP HB2 . 30886 1
68 . 1 . 1 8 8 ASP HB3 H 1 2.770 0.000 . . . . . A A 8 ASP HB3 . 30886 1
69 . 1 . 1 8 8 ASP CA C 13 54.144 0.000 . . . . . A A 8 ASP CA . 30886 1
70 . 1 . 1 8 8 ASP CB C 13 36.265 0.000 . . . . . A A 8 ASP CB . 30886 1
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save_