Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"
save_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one'
_Assigned_chem_shift_list.Entry_ID 660
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_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 $sample_one . 660 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 2 2 VAL H H 1 8.33 . . 1 . . . . . . . . 660 1
2 . 1 1 2 2 VAL HA H 1 4.4 . . 1 . . . . . . . . 660 1
3 . 1 1 3 3 GLU H H 1 8.69 . . 1 . . . . . . . . 660 1
4 . 1 1 3 3 GLU HA H 1 5.15 . . 1 . . . . . . . . 660 1
5 . 1 1 4 4 ILE H H 1 9.11 . . 1 . . . . . . . . 660 1
6 . 1 1 4 4 ILE HA H 1 5.05 . . 1 . . . . . . . . 660 1
7 . 1 1 5 5 VAL H H 1 9.25 . . 1 . . . . . . . . 660 1
8 . 1 1 5 5 VAL HA H 1 5.42 . . 1 . . . . . . . . 660 1
9 . 1 1 6 6 TYR H H 1 7.95 . . 1 . . . . . . . . 660 1
10 . 1 1 6 6 TYR HA H 1 6.11 . . 1 . . . . . . . . 660 1
11 . 1 1 7 7 TRP H H 1 8.43 . . 1 . . . . . . . . 660 1
12 . 1 1 7 7 TRP HA H 1 4.46 . . 1 . . . . . . . . 660 1
13 . 1 1 31 31 VAL H H 1 8.17 . . 1 . . . . . . . . 660 1
14 . 1 1 31 31 VAL HA H 1 5.6 . . 1 . . . . . . . . 660 1
15 . 1 1 32 32 GLU H H 1 8.15 . . 1 . . . . . . . . 660 1
16 . 1 1 32 32 GLU HA H 1 4.66 . . 1 . . . . . . . . 660 1
17 . 1 1 33 33 SER H H 1 8.43 . . 1 . . . . . . . . 660 1
18 . 1 1 33 33 SER HA H 1 6.01 . . 1 . . . . . . . . 660 1
19 . 1 1 34 34 VAL H H 1 9.53 . . 1 . . . . . . . . 660 1
20 . 1 1 34 34 VAL HA H 1 4.53 . . 1 . . . . . . . . 660 1
21 . 1 1 35 35 ARG H H 1 8.17 . . 1 . . . . . . . . 660 1
22 . 1 1 35 35 ARG HA H 1 4.45 . . 1 . . . . . . . . 660 1
23 . 1 1 36 36 PHE H H 1 7.65 . . 1 . . . . . . . . 660 1
24 . 1 1 36 36 PHE HA H 1 3.25 . . 1 . . . . . . . . 660 1
25 . 1 1 49 49 VAL H H 1 7.48 . . 1 . . . . . . . . 660 1
26 . 1 1 49 49 VAL HA H 1 4.89 . . 1 . . . . . . . . 660 1
27 . 1 1 50 50 ILE H H 1 8.61 . . 1 . . . . . . . . 660 1
28 . 1 1 50 50 ILE HA H 1 4.87 . . 1 . . . . . . . . 660 1
29 . 1 1 51 51 LEU H H 1 9.65 . . 1 . . . . . . . . 660 1
30 . 1 1 51 51 LEU HA H 1 5.49 . . 1 . . . . . . . . 660 1
31 . 1 1 52 52 LEU H H 1 8.57 . . 1 . . . . . . . . 660 1
32 . 1 1 52 52 LEU HA H 1 5.54 . . 1 . . . . . . . . 660 1
33 . 1 1 53 53 GLY H H 1 9.37 . . 1 . . . . . . . . 660 1
34 . 1 1 53 53 GLY HA2 H 1 1.8 . . 2 . . . . . . . . 660 1
35 . 1 1 53 53 GLY HA3 H 1 4.79 . . 2 . . . . . . . . 660 1
36 . 1 1 54 54 CYS H H 1 9.36 . . 1 . . . . . . . . 660 1
37 . 1 1 54 54 CYS HA H 1 5.6 . . 1 . . . . . . . . 660 1
38 . 1 1 55 55 PRO HA H 1 5.4 . . 1 . . . . . . . . 660 1
39 . 1 1 56 56 ALA H H 1 6.46 . . 1 . . . . . . . . 660 1
40 . 1 1 56 56 ALA HA H 1 2.67 . . 1 . . . . . . . . 660 1
41 . 1 1 82 82 LYS H H 1 7.88 . . 1 . . . . . . . . 660 1
42 . 1 1 82 82 LYS HA H 1 5 . . 1 . . . . . . . . 660 1
43 . 1 1 83 83 VAL H H 1 8.88 . . 1 . . . . . . . . 660 1
44 . 1 1 83 83 VAL HA H 1 5.79 . . 1 . . . . . . . . 660 1
45 . 1 1 84 84 GLY H H 1 9.31 . . 1 . . . . . . . . 660 1
46 . 1 1 84 84 GLY HA2 H 1 5.18 . . 1 . . . . . . . . 660 1
47 . 1 1 84 84 GLY HA3 H 1 5.18 . . 1 . . . . . . . . 660 1
48 . 1 1 85 85 LEU H H 1 7.35 . . 1 . . . . . . . . 660 1
49 . 1 1 85 85 LEU HA H 1 5.54 . . 1 . . . . . . . . 660 1
50 . 1 1 86 86 PHE H H 1 9.29 . . 1 . . . . . . . . 660 1
51 . 1 1 86 86 PHE HA H 1 6.08 . . 1 . . . . . . . . 660 1
52 . 1 1 87 87 GLY H H 1 8.2 . . 1 . . . . . . . . 660 1
53 . 1 1 87 87 GLY HA2 H 1 4.06 . . 2 . . . . . . . . 660 1
54 . 1 1 87 87 GLY HA3 H 1 5.25 . . 2 . . . . . . . . 660 1
55 . 1 1 88 88 SER H H 1 6.53 . . 1 . . . . . . . . 660 1
56 . 1 1 88 88 SER HA H 1 6.11 . . 1 . . . . . . . . 660 1
57 . 1 1 89 89 TYR H H 1 8.05 . . 1 . . . . . . . . 660 1
58 . 1 1 89 89 TYR HA H 1 5.34 . . 1 . . . . . . . . 660 1
59 . 1 1 110 110 THR H H 1 8.86 . . 1 . . . . . . . . 660 1
60 . 1 1 110 110 THR HA H 1 4.37 . . 1 . . . . . . . . 660 1
61 . 1 1 111 111 VAL H H 1 9.03 . . 1 . . . . . . . . 660 1
62 . 1 1 111 111 VAL HA H 1 5.09 . . 1 . . . . . . . . 660 1
63 . 1 1 112 112 ILE H H 1 8.85 . . 1 . . . . . . . . 660 1
64 . 1 1 112 112 ILE HA H 1 4.21 . . 1 . . . . . . . . 660 1
65 . 1 1 113 113 GLY H H 1 6.93 . . 1 . . . . . . . . 660 1
66 . 1 1 113 113 GLY HA2 H 1 3.97 . . 2 . . . . . . . . 660 1
67 . 1 1 113 113 GLY HA3 H 1 4.15 . . 2 . . . . . . . . 660 1
68 . 1 1 114 114 THR H H 1 8.03 . . 1 . . . . . . . . 660 1
69 . 1 1 114 114 THR HA H 1 5.86 . . 1 . . . . . . . . 660 1
70 . 1 1 115 115 ALA H H 1 8.44 . . 1 . . . . . . . . 660 1
71 . 1 1 115 115 ALA HA H 1 4.9 . . 1 . . . . . . . . 660 1
72 . 1 1 116 116 ILE H H 1 8.5 . . 1 . . . . . . . . 660 1
73 . 1 1 116 116 ILE HA H 1 5.99 . . 1 . . . . . . . . 660 1
74 . 1 1 117 117 VAL H H 1 7.67 . . 1 . . . . . . . . 660 1
75 . 1 1 117 117 VAL HA H 1 4.38 . . 1 . . . . . . . . 660 1
76 . 1 1 118 118 ASN H H 1 8.33 . . 1 . . . . . . . . 660 1
77 . 1 1 118 118 ASN HA H 1 3.7 . . 1 . . . . . . . . 660 1
78 . 1 1 119 119 GLU H H 1 8.65 . . 1 . . . . . . . . 660 1
79 . 1 1 119 119 GLU HA H 1 3.39 . . 1 . . . . . . . . 660 1
stop_
save_