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 31021
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 '1D 1H' . . . 31021 1
2 '2D NOESY' . . . 31021 1
3 '2D ROESY' . . . 31021 1
4 '2D TOCSY' . . . 31021 1
5 '2D DQF-COSY' . . . 31021 1
6 '2D 1H-13C HSQC-ed' . . . 31021 1
7 '2D 1H-15N HSQC' . . . 31021 1
8 '2D 1H-13C HMBC' . . . 31021 1
9 '2D 1H-13C HSQC-TOCSY' . . . 31021 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 DAL H H 1 7.36 0.02 . 1 . . . . A 1 DAL H1 . 31021 1
2 . 1 . 1 1 1 DAL N N 15 114.1 0.2 . 1 . . . . A 1 DAL N . 31021 1
3 . 1 . 1 1 1 DAL CA C 13 47.6 0.2 . 1 . . . . A 1 DAL CA . 31021 1
4 . 1 . 1 1 1 DAL CB C 13 17.0 0.2 . 1 . . . . A 1 DAL CB . 31021 1
5 . 1 . 1 1 1 DAL HA H 1 4.60 0.02 . 1 . . . . A 1 DAL HA . 31021 1
6 . 1 . 1 1 1 DAL HB2 H 1 1.17 0.02 . 1 . . . . A 1 DAL HB2 . 31021 1
7 . 1 . 1 2 2 DPR CA C 13 56.5 0.2 . 1 . . . . A 2 DPR CA . 31021 1
8 . 1 . 1 2 2 DPR CB C 13 29.2 0.2 . 1 . . . . A 2 DPR CB . 31021 1
9 . 1 . 1 2 2 DPR CD C 13 47.3 0.2 . 1 . . . . A 2 DPR CD . 31021 1
10 . 1 . 1 2 2 DPR CG C 13 25.3 0.2 . 1 . . . . A 2 DPR CG . 31021 1
11 . 1 . 1 2 2 DPR HA H 1 4.82 0.02 . 1 . . . . A 2 DPR HA . 31021 1
12 . 1 . 1 2 2 DPR HB2 H 1 2.06 0.02 . 1 . . . . A 2 DPR HB2 . 31021 1
13 . 1 . 1 2 2 DPR HB3 H 1 1.73 0.02 . 1 . . . . A 2 DPR HB3 . 31021 1
14 . 1 . 1 2 2 DPR HD2 H 1 3.59 0.02 . 1 . . . . A 2 DPR HD2 . 31021 1
15 . 1 . 1 2 2 DPR HD3 H 1 3.45 0.02 . 1 . . . . A 2 DPR HD3 . 31021 1
16 . 1 . 1 2 2 DPR HG2 H 1 2.13 0.02 . 1 . . . . A 2 DPR HG2 . 31021 1
17 . 1 . 1 2 2 DPR HG3 H 1 1.89 0.02 . 1 . . . . A 2 DPR HG3 . 31021 1
18 . 1 . 1 3 3 MLU C C 13 169.8 0.2 . 1 . . . . A 3 MLU C . 31021 1
19 . 1 . 1 3 3 MLU CA C 13 59.0 0.2 . 1 . . . . A 3 MLU CA . 31021 1
20 . 1 . 1 3 3 MLU CB C 13 36.3 0.2 . 1 . . . . A 3 MLU CB . 31021 1
21 . 1 . 1 3 3 MLU CD1 C 13 24.0 0.2 . 1 . . . . A 3 MLU CD1 . 31021 1
22 . 1 . 1 3 3 MLU CD2 C 13 22.5 0.2 . 1 . . . . A 3 MLU CD2 . 31021 1
23 . 1 . 1 3 3 MLU CG C 13 24.4 0.2 . 1 . . . . A 3 MLU CG . 31021 1
24 . 1 . 1 3 3 MLU CN C 13 29.3 0.2 . 1 . . . . A 3 MLU CN . 31021 1
25 . 1 . 1 3 3 MLU HA H 1 4.70 0.02 . 1 . . . . A 3 MLU HA . 31021 1
26 . 1 . 1 3 3 MLU HB2 H 1 1.81 0.02 . 1 . . . . A 3 MLU HB2 . 31021 1
27 . 1 . 1 3 3 MLU HB3 H 1 1.63 0.02 . 1 . . . . A 3 MLU HB3 . 31021 1
28 . 1 . 1 3 3 MLU HCN1 H 1 2.60 0.02 . 1 . . . . A 3 MLU HCN1 . 31021 1
29 . 1 . 1 3 3 MLU HD11 H 1 0.91 0.02 . 1 . . . . A 3 MLU HD11 . 31021 1
30 . 1 . 1 3 3 MLU HD21 H 1 0.89 0.02 . 1 . . . . A 3 MLU HD21 . 31021 1
31 . 1 . 1 3 3 MLU HG H 1 1.32 0.02 . 1 . . . . A 3 MLU HG . 31021 1
32 . 1 . 1 4 4 DVA H H 1 8.43 0.02 . 1 . . . . A 4 DVA H . 31021 1
33 . 1 . 1 4 4 DVA N N 15 115.6 0.2 . 1 . . . . A 4 DVA N . 31021 1
34 . 1 . 1 4 4 DVA CA C 13 61.0 0.2 . 1 . . . . A 4 DVA CA . 31021 1
35 . 1 . 1 4 4 DVA CB C 13 30.6 0.2 . 1 . . . . A 4 DVA CB . 31021 1
36 . 1 . 1 4 4 DVA CG1 C 13 19.6 0.2 . 1 . . . . A 4 DVA CG1 . 31021 1
37 . 1 . 1 4 4 DVA CG2 C 13 19.2 0.2 . 1 . . . . A 4 DVA CG2 . 31021 1
38 . 1 . 1 4 4 DVA HA H 1 4.01 0.02 . 1 . . . . A 4 DVA HA . 31021 1
39 . 1 . 1 4 4 DVA HB H 1 2.03 0.02 . 1 . . . . A 4 DVA HB . 31021 1
40 . 1 . 1 4 4 DVA HG11 H 1 0.85 0.02 . 1 . . . . A 4 DVA HG11 . 31021 1
41 . 1 . 1 4 4 DVA HG21 H 1 0.86 0.02 . 1 . . . . A 4 DVA HG21 . 31021 1
42 . 1 . 1 5 5 DAL H H 1 7.35 0.02 . 1 . . . . A 5 DAL H . 31021 1
43 . 1 . 1 5 5 DAL N N 15 117.3 0.2 . 1 . . . . A 5 DAL N . 31021 1
44 . 1 . 1 5 5 DAL CA C 13 46.1 0.2 . 1 . . . . A 5 DAL CA . 31021 1
45 . 1 . 1 5 5 DAL CB C 13 18.2 0.2 . 1 . . . . A 5 DAL CB . 31021 1
46 . 1 . 1 5 5 DAL HA H 1 4.76 0.02 . 1 . . . . A 5 DAL HA . 31021 1
47 . 1 . 1 5 5 DAL HB1 H 1 1.13 0.02 . 1 . . . . A 5 DAL HB1 . 31021 1
48 . 1 . 1 6 6 DPR CA C 13 57.6 0.2 . 1 . . . . A 6 DPR CA . 31021 1
49 . 1 . 1 6 6 DPR CB C 13 29.12 0.2 . 1 . . . . A 6 DPR CB . 31021 1
50 . 1 . 1 6 6 DPR CD C 13 48.1 0.2 . 1 . . . . A 6 DPR CD . 31021 1
51 . 1 . 1 6 6 DPR CG C 13 25.3 0.2 . 1 . . . . A 6 DPR CG . 31021 1
52 . 1 . 1 6 6 DPR HA H 1 4.61 0.02 . 1 . . . . A 6 DPR HA . 31021 1
53 . 1 . 1 6 6 DPR HB2 H 1 2.22 0.02 . 1 . . . . A 6 DPR HB2 . 31021 1
54 . 1 . 1 6 6 DPR HB3 H 1 1.76 0.02 . 1 . . . . A 6 DPR HB3 . 31021 1
55 . 1 . 1 6 6 DPR HD2 H 1 3.67 0.02 . 1 . . . . A 6 DPR HD2 . 31021 1
56 . 1 . 1 6 6 DPR HD3 H 1 3.67 0.02 . 1 . . . . A 6 DPR HD3 . 31021 1
57 . 1 . 1 6 6 DPR HG2 H 1 2.06 0.02 . 1 . . . . A 6 DPR HG2 . 31021 1
58 . 1 . 1 6 6 DPR HG3 H 1 1.89 0.02 . 1 . . . . A 6 DPR HG3 . 31021 1
59 . 1 . 1 7 7 MLU CA C 13 68.4 0.2 . 1 . . . . A 7 MLU CA . 31021 1
60 . 1 . 1 7 7 MLU CB C 13 38.3 0.2 . 1 . . . . A 7 MLU CB . 31021 1
61 . 1 . 1 7 7 MLU CD1 C 13 23.5 0.2 . 1 . . . . A 7 MLU CD1 . 31021 1
62 . 1 . 1 7 7 MLU CD2 C 13 22.1 0.2 . 1 . . . . A 7 MLU CD2 . 31021 1
63 . 1 . 1 7 7 MLU CG C 13 25.3 0.2 . 1 . . . . A 7 MLU CG . 31021 1
64 . 1 . 1 7 7 MLU CN C 13 40.9 0.2 . 1 . . . . A 7 MLU CN . 31021 1
65 . 1 . 1 7 7 MLU HA H 1 3.70 0.02 . 1 . . . . A 7 MLU HA . 31021 1
66 . 1 . 1 7 7 MLU HB2 H 1 2.22 0.02 . 1 . . . . A 7 MLU HB2 . 31021 1
67 . 1 . 1 7 7 MLU HB3 H 1 1.66 0.02 . 1 . . . . A 7 MLU HB3 . 31021 1
68 . 1 . 1 7 7 MLU HCN1 H 1 3.22 0.02 . 1 . . . . A 7 MLU HCN1 . 31021 1
69 . 1 . 1 7 7 MLU HD11 H 1 0.87 0.02 . 1 . . . . A 7 MLU HD11 . 31021 1
70 . 1 . 1 7 7 MLU HD21 H 1 0.88 0.02 . 1 . . . . A 7 MLU HD21 . 31021 1
71 . 1 . 1 7 7 MLU HG H 1 1.42 0.02 . 1 . . . . A 7 MLU HG . 31021 1
72 . 1 . 1 8 8 DVA H H 1 7.96 0.02 . 1 . . . . A 8 DVA H . 31021 1
73 . 1 . 1 8 8 DVA C C 13 170.8 0.2 . 1 . . . . A 8 DVA C . 31021 1
74 . 1 . 1 8 8 DVA N N 15 112.3 0.2 . 1 . . . . A 8 DVA N . 31021 1
75 . 1 . 1 8 8 DVA CA C 13 60.2 0.2 . 1 . . . . A 8 DVA CA . 31021 1
76 . 1 . 1 8 8 DVA CB C 13 31.3 0.2 . 1 . . . . A 8 DVA CB . 31021 1
77 . 1 . 1 8 8 DVA CG1 C 13 19.5 0.2 . 1 . . . . A 8 DVA CG1 . 31021 1
78 . 1 . 1 8 8 DVA CG2 C 13 18.4 0.2 . 1 . . . . A 8 DVA CG2 . 31021 1
79 . 1 . 1 8 8 DVA HA H 1 4.01 0.02 . 1 . . . . A 8 DVA HA . 31021 1
80 . 1 . 1 8 8 DVA HB H 1 1.84 0.02 . 1 . . . . A 8 DVA HB . 31021 1
81 . 1 . 1 8 8 DVA HG11 H 1 0.84 0.02 . 1 . . . . A 8 DVA HG11 . 31021 1
82 . 1 . 1 8 8 DVA HG21 H 1 0.77 0.02 . 1 . . . . A 8 DVA HG21 . 31021 1
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save_