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 2968
_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 . 2968 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 ASP H H 1 9.43 . . 1 . . . . 2 . . . 2968 1
2 . 1 1 4 4 GLU H H 1 8.3 . . 1 . . . . 4 . . . 2968 1
3 . 1 1 5 5 VAL H H 1 7.02 . . 1 . . . . 5 . . . 2968 1
4 . 1 1 6 6 LEU H H 1 7.54 . . 1 . . . . 6 . . . 2968 1
5 . 1 1 7 7 PHE H H 1 8.39 . . 1 . . . . 7 . . . 2968 1
6 . 1 1 8 8 LYS H H 1 6.91 . . 1 . . . . 8 . . . 2968 1
7 . 1 1 9 9 ASN H H 1 8.81 . . 1 . . . . 9 . . . 2968 1
8 . 1 1 10 10 LYS H H 1 8.99 . . 1 . . . . 10 . . . 2968 1
9 . 1 1 11 11 GLY H H 1 7.9 . . 1 . . . . 11 . . . 2968 1
10 . 1 1 13 13 VAL H H 1 6.6 . . 1 . . . . 13 . . . 2968 1
11 . 1 1 14 14 ALA H H 1 7.34 . . 1 . . . . 14 . . . 2968 1
12 . 1 1 16 16 HIS H H 1 6.77 . . 1 . . . . 16 . . . 2968 1
13 . 1 1 16 16 HIS HD1 H 1 8.68 . . 1 . . . . 16 . . . 2968 1
14 . 1 1 17 17 ALA H H 1 7.72 . . 1 . . . . 17 . . . 2968 1
15 . 1 1 18 18 ILE H H 1 8.32 . . 1 . . . . 18 . . . 2968 1
16 . 1 1 19 19 ASP H H 1 8.02 . . 1 . . . . 19 . . . 2968 1
17 . 1 1 20 20 THR H H 1 6.48 . . 1 . . . . 20 . . . 2968 1
18 . 1 1 21 21 LYS H H 1 8.44 . . 1 . . . . 21 . . . 2968 1
19 . 1 1 22 22 MET H H 1 7.32 . . 1 . . . . 22 . . . 2968 1
20 . 1 1 23 23 VAL H H 1 6.93 . . 1 . . . . 23 . . . 2968 1
21 . 1 1 24 24 GLY H H 1 6.65 . . 1 . . . . 24 . . . 2968 1
22 . 1 1 26 26 ALA H H 1 8.47 . . 1 . . . . 26 . . . 2968 1
23 . 1 1 27 27 TYR H H 1 7.54 . . 1 . . . . 27 . . . 2968 1
24 . 1 1 28 28 LYS H H 1 8.89 . . 1 . . . . 28 . . . 2968 1
25 . 1 1 29 29 ASP H H 1 6.77 . . 1 . . . . 29 . . . 2968 1
26 . 1 1 30 30 VAL H H 1 7.59 . . 1 . . . . 30 . . . 2968 1
27 . 1 1 31 31 ALA H H 1 8.62 . . 1 . . . . 31 . . . 2968 1
28 . 1 1 32 32 ALA H H 1 7.59 . . 1 . . . . 32 . . . 2968 1
29 . 1 1 33 33 LYS H H 1 7.81 . . 1 . . . . 33 . . . 2968 1
30 . 1 1 34 34 PHE H H 1 7.71 . . 1 . . . . 34 . . . 2968 1
31 . 1 1 35 35 ALA H H 1 7.68 . . 1 . . . . 35 . . . 2968 1
32 . 1 1 36 36 GLY H H 1 8.9 . . 1 . . . . 36 . . . 2968 1
33 . 1 1 37 37 GLN H H 1 7.92 . . 1 . . . . 37 . . . 2968 1
34 . 1 1 38 38 ALA H H 1 8.96 . . 1 . . . . 38 . . . 2968 1
35 . 1 1 39 39 GLY H H 1 9.09 . . 1 . . . . 39 . . . 2968 1
36 . 1 1 40 40 ALA H H 1 7.65 . . 1 . . . . 40 . . . 2968 1
37 . 1 1 41 41 GLU H H 1 8.87 . . 1 . . . . 41 . . . 2968 1
38 . 1 1 42 42 ALA H H 1 7.82 . . 1 . . . . 42 . . . 2968 1
39 . 1 1 43 43 GLU H H 1 7.75 . . 1 . . . . 43 . . . 2968 1
40 . 1 1 44 44 LEU H H 1 8.63 . . 1 . . . . 44 . . . 2968 1
41 . 1 1 45 45 ALA H H 1 8.31 . . 1 . . . . 45 . . . 2968 1
42 . 1 1 46 46 GLN H H 1 7.35 . . 1 . . . . 46 . . . 2968 1
43 . 1 1 47 47 ARG H H 1 7.64 . . 1 . . . . 47 . . . 2968 1
44 . 1 1 47 47 ARG HE H 1 7.51 . . 1 . . . . 47 . . . 2968 1
45 . 1 1 48 48 ILE H H 1 8.15 . . 1 . . . . 48 . . . 2968 1
46 . 1 1 49 49 LYS H H 1 7.14 . . 1 . . . . 49 . . . 2968 1
47 . 1 1 50 50 ASN H H 1 8.09 . . 1 . . . . 50 . . . 2968 1
48 . 1 1 51 51 GLY H H 1 7.41 . . 1 . . . . 51 . . . 2968 1
49 . 1 1 52 52 SER H H 1 7.19 . . 1 . . . . 52 . . . 2968 1
50 . 1 1 53 53 GLN H H 1 7.93 . . 1 . . . . 53 . . . 2968 1
51 . 1 1 54 54 GLY H H 1 8.41 . . 1 . . . . 54 . . . 2968 1
52 . 1 1 55 55 VAL H H 1 10.46 . . 1 . . . . 55 . . . 2968 1
53 . 1 1 56 56 TRP H H 1 10.76 . . 1 . . . . 56 . . . 2968 1
54 . 1 1 56 56 TRP HE1 H 1 11.9 . . 1 . . . . 56 . . . 2968 1
55 . 1 1 57 57 GLY H H 1 7.99 . . 1 . . . . 57 . . . 2968 1
56 . 1 1 59 59 ILE H H 1 7.49 . . 1 . . . . 59 . . . 2968 1
57 . 1 1 61 61 MET H H 1 8.74 . . 1 . . . . 61 . . . 2968 1
58 . 1 1 64 64 ASN H H 1 6.96 . . 1 . . . . 64 . . . 2968 1
59 . 1 1 65 65 ALA H H 1 8.79 . . 1 . . . . 65 . . . 2968 1
60 . 1 1 66 66 VAL H H 1 7.7 . . 1 . . . . 66 . . . 2968 1
61 . 1 1 67 67 SER H H 1 9.26 . . 1 . . . . 67 . . . 2968 1
62 . 1 1 68 68 ASP H H 1 8.91 . . 1 . . . . 68 . . . 2968 1
63 . 1 1 69 69 ASP H H 1 8.43 . . 1 . . . . 69 . . . 2968 1
64 . 1 1 70 70 GLU H H 1 7.88 . . 1 . . . . 70 . . . 2968 1
65 . 1 1 71 71 ALA H H 1 8.83 . . 1 . . . . 71 . . . 2968 1
66 . 1 1 72 72 GLN H H 1 8.14 . . 1 . . . . 72 . . . 2968 1
67 . 1 1 73 73 THR H H 1 8.25 . . 1 . . . . 73 . . . 2968 1
68 . 1 1 74 74 LEU H H 1 8.61 . . 1 . . . . 74 . . . 2968 1
69 . 1 1 75 75 ALA H H 1 8.83 . . 1 . . . . 75 . . . 2968 1
70 . 1 1 76 76 LYS H H 1 8.19 . . 1 . . . . 76 . . . 2968 1
71 . 1 1 77 77 TRP H H 1 7.82 . . 1 . . . . 77 . . . 2968 1
72 . 1 1 77 77 TRP HE1 H 1 10.21 . . 1 . . . . 77 . . . 2968 1
73 . 1 1 78 78 VAL H H 1 9.21 . . 1 . . . . 78 . . . 2968 1
74 . 1 1 79 79 LEU H H 1 7.76 . . 1 . . . . 79 . . . 2968 1
75 . 1 1 80 80 SER H H 1 7.46 . . 1 . . . . 80 . . . 2968 1
76 . 1 1 81 81 GLN H H 1 7.16 . . 1 . . . . 81 . . . 2968 1
77 . 1 1 82 82 LYS H H 1 7.52 . . 1 . . . . 82 . . . 2968 1
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save_