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 682
_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 . 682 1
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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 1 1 GLY HA2 H 1 3.85 . . 1 . . . . . . . . 682 1
2 . 1 1 1 1 GLY HA3 H 1 3.85 . . 1 . . . . . . . . 682 1
3 . 1 1 2 2 ASN H H 1 8.66 . . 1 . . . . . . . . 682 1
4 . 1 1 2 2 ASN HA H 1 5.04 . . 1 . . . . . . . . 682 1
5 . 1 1 2 2 ASN HB2 H 1 2.88 . . 2 . . . . . . . . 682 1
6 . 1 1 2 2 ASN HB3 H 1 2.68 . . 2 . . . . . . . . 682 1
7 . 1 1 2 2 ASN HD21 H 1 7.68 . . 2 . . . . . . . . 682 1
8 . 1 1 2 2 ASN HD22 H 1 7.03 . . 2 . . . . . . . . 682 1
9 . 1 1 3 3 PRO HA H 1 4.43 . . 1 . . . . . . . . 682 1
10 . 1 1 3 3 PRO HB2 H 1 2.22 . . 2 . . . . . . . . 682 1
11 . 1 1 3 3 PRO HB3 H 1 1.78 . . 2 . . . . . . . . 682 1
12 . 1 1 3 3 PRO HG2 H 1 1.97 . . 1 . . . . . . . . 682 1
13 . 1 1 3 3 PRO HG3 H 1 1.97 . . 1 . . . . . . . . 682 1
14 . 1 1 3 3 PRO HD2 H 1 3.61 . . 1 . . . . . . . . 682 1
15 . 1 1 3 3 PRO HD3 H 1 3.61 . . 1 . . . . . . . . 682 1
16 . 1 1 4 4 TYR H H 1 8.32 . . 1 . . . . . . . . 682 1
17 . 1 1 4 4 TYR HA H 1 4.54 . . 1 . . . . . . . . 682 1
18 . 1 1 4 4 TYR HB2 H 1 3.06 . . 2 . . . . . . . . 682 1
19 . 1 1 4 4 TYR HB3 H 1 2.94 . . 2 . . . . . . . . 682 1
20 . 1 1 4 4 TYR HD1 H 1 7.13 . . 1 . . . . . . . . 682 1
21 . 1 1 4 4 TYR HD2 H 1 7.13 . . 1 . . . . . . . . 682 1
22 . 1 1 4 4 TYR HE1 H 1 6.83 . . 1 . . . . . . . . 682 1
23 . 1 1 4 4 TYR HE2 H 1 6.83 . . 1 . . . . . . . . 682 1
24 . 1 1 5 5 VAL H H 1 7.81 . . 1 . . . . . . . . 682 1
25 . 1 1 5 5 VAL HA H 1 4.31 . . 1 . . . . . . . . 682 1
26 . 1 1 5 5 VAL HB H 1 1.92 . . 1 . . . . . . . . 682 1
27 . 1 1 5 5 VAL HG11 H 1 .89 . . 2 . . . . . . . . 682 1
28 . 1 1 5 5 VAL HG12 H 1 .89 . . 2 . . . . . . . . 682 1
29 . 1 1 5 5 VAL HG13 H 1 .89 . . 2 . . . . . . . . 682 1
30 . 1 1 5 5 VAL HG21 H 1 .87 . . 2 . . . . . . . . 682 1
31 . 1 1 5 5 VAL HG22 H 1 .87 . . 2 . . . . . . . . 682 1
32 . 1 1 5 5 VAL HG23 H 1 .87 . . 2 . . . . . . . . 682 1
33 . 1 1 6 6 PRO HA H 1 4.29 . . 1 . . . . . . . . 682 1
34 . 1 1 6 6 PRO HB2 H 1 2.26 . . 2 . . . . . . . . 682 1
35 . 1 1 6 6 PRO HB3 H 1 1.8 . . 2 . . . . . . . . 682 1
36 . 1 1 6 6 PRO HG2 H 1 1.92 . . 1 . . . . . . . . 682 1
37 . 1 1 6 6 PRO HG3 H 1 1.92 . . 1 . . . . . . . . 682 1
38 . 1 1 6 6 PRO HD2 H 1 3.83 . . 2 . . . . . . . . 682 1
39 . 1 1 6 6 PRO HD3 H 1 3.72 . . 2 . . . . . . . . 682 1
40 . 1 1 7 7 VAL H H 1 8.09 . . 1 . . . . . . . . 682 1
41 . 1 1 7 7 VAL HA H 1 3.97 . . 1 . . . . . . . . 682 1
42 . 1 1 7 7 VAL HB H 1 1.93 . . 1 . . . . . . . . 682 1
43 . 1 1 7 7 VAL HG11 H 1 .91 . . 2 . . . . . . . . 682 1
44 . 1 1 7 7 VAL HG12 H 1 .91 . . 2 . . . . . . . . 682 1
45 . 1 1 7 7 VAL HG13 H 1 .91 . . 2 . . . . . . . . 682 1
46 . 1 1 7 7 VAL HG21 H 1 .8 . . 2 . . . . . . . . 682 1
47 . 1 1 7 7 VAL HG22 H 1 .8 . . 2 . . . . . . . . 682 1
48 . 1 1 7 7 VAL HG23 H 1 .8 . . 2 . . . . . . . . 682 1
49 . 1 1 8 8 HIS H H 1 8.47 . . 1 . . . . . . . . 682 1
50 . 1 1 8 8 HIS HA H 1 4.69 . . 1 . . . . . . . . 682 1
51 . 1 1 8 8 HIS HB2 H 1 3.17 . . 2 . . . . . . . . 682 1
52 . 1 1 8 8 HIS HB3 H 1 3.13 . . 2 . . . . . . . . 682 1
53 . 1 1 8 8 HIS HD2 H 1 7.23 . . 1 . . . . . . . . 682 1
54 . 1 1 8 8 HIS HE1 H 1 8.57 . . 1 . . . . . . . . 682 1
55 . 1 1 9 9 PHE H H 1 8.39 . . 1 . . . . . . . . 682 1
56 . 1 1 9 9 PHE HA H 1 4.6 . . 1 . . . . . . . . 682 1
57 . 1 1 9 9 PHE HB2 H 1 3.08 . . 2 . . . . . . . . 682 1
58 . 1 1 9 9 PHE HB3 H 1 2.98 . . 2 . . . . . . . . 682 1
59 . 1 1 9 9 PHE HD1 H 1 7.23 . . 1 . . . . . . . . 682 1
60 . 1 1 9 9 PHE HD2 H 1 7.23 . . 1 . . . . . . . . 682 1
61 . 1 1 9 9 PHE HE1 H 1 7.34 . . 1 . . . . . . . . 682 1
62 . 1 1 9 9 PHE HE2 H 1 7.34 . . 1 . . . . . . . . 682 1
63 . 1 1 9 9 PHE HZ H 1 7.33 . . 1 . . . . . . . . 682 1
64 . 1 1 10 10 ASP H H 1 8.38 . . 1 . . . . . . . . 682 1
65 . 1 1 10 10 ASP HA H 1 4.57 . . 1 . . . . . . . . 682 1
66 . 1 1 10 10 ASP HB2 H 1 2.7 . . 2 . . . . . . . . 682 1
67 . 1 1 10 10 ASP HB3 H 1 2.56 . . 2 . . . . . . . . 682 1
68 . 1 1 11 11 ALA H H 1 8.24 . . 1 . . . . . . . . 682 1
69 . 1 1 11 11 ALA HA H 1 4.33 . . 1 . . . . . . . . 682 1
70 . 1 1 11 11 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 682 1
71 . 1 1 11 11 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 682 1
72 . 1 1 11 11 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 682 1
73 . 1 1 12 12 SER H H 1 8.42 . . 1 . . . . . . . . 682 1
74 . 1 1 12 12 SER HA H 1 4.45 . . 1 . . . . . . . . 682 1
75 . 1 1 12 12 SER HB2 H 1 3.89 . . 1 . . . . . . . . 682 1
76 . 1 1 12 12 SER HB3 H 1 3.89 . . 1 . . . . . . . . 682 1
77 . 1 1 13 13 VAL H H 1 7.68 . . 1 . . . . . . . . 682 1
78 . 1 1 13 13 VAL HA H 1 4.08 . . 1 . . . . . . . . 682 1
79 . 1 1 13 13 VAL HB H 1 2.11 . . 1 . . . . . . . . 682 1
80 . 1 1 13 13 VAL HG11 H 1 .91 . . 2 . . . . . . . . 682 1
81 . 1 1 13 13 VAL HG12 H 1 .91 . . 2 . . . . . . . . 682 1
82 . 1 1 13 13 VAL HG13 H 1 .91 . . 2 . . . . . . . . 682 1
83 . 1 1 13 13 VAL HG21 H 1 .89 . . 2 . . . . . . . . 682 1
84 . 1 1 13 13 VAL HG22 H 1 .89 . . 2 . . . . . . . . 682 1
85 . 1 1 13 13 VAL HG23 H 1 .89 . . 2 . . . . . . . . 682 1
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