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 1677
_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 . 1677 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 1 1 ASP HA H 1 4.38 . . 1 . . . . . . . . 1677 1
2 . 1 1 1 1 ASP HB2 H 1 2.84 . . 1 . . . . . . . . 1677 1
3 . 1 1 1 1 ASP HB3 H 1 2.84 . . 1 . . . . . . . . 1677 1
4 . 1 1 2 2 THR H H 1 8.75 . . 1 . . . . . . . . 1677 1
5 . 1 1 2 2 THR HA H 1 4.42 . . 1 . . . . . . . . 1677 1
6 . 1 1 2 2 THR HB H 1 4.2 . . 1 . . . . . . . . 1677 1
7 . 1 1 2 2 THR HG21 H 1 1.25 . . 1 . . . . . . . . 1677 1
8 . 1 1 2 2 THR HG22 H 1 1.25 . . 1 . . . . . . . . 1677 1
9 . 1 1 2 2 THR HG23 H 1 1.25 . . 1 . . . . . . . . 1677 1
10 . 1 1 3 3 MET H H 1 8.54 . . 1 . . . . . . . . 1677 1
11 . 1 1 3 3 MET HA H 1 4.61 . . 1 . . . . . . . . 1677 1
12 . 1 1 3 3 MET HB2 H 1 2.59 . . 1 . . . . . . . . 1677 1
13 . 1 1 3 3 MET HB3 H 1 2.59 . . 1 . . . . . . . . 1677 1
14 . 1 1 3 3 MET HG2 H 1 2.06 . . 1 . . . . . . . . 1677 1
15 . 1 1 3 3 MET HG3 H 1 2.06 . . 1 . . . . . . . . 1677 1
16 . 1 1 4 4 ARG H H 1 8.53 . . 1 . . . . . . . . 1677 1
17 . 1 1 4 4 ARG HA H 1 4.71 . . 1 . . . . . . . . 1677 1
18 . 1 1 4 4 ARG HB2 H 1 1.65 . . 2 . . . . . . . . 1677 1
19 . 1 1 4 4 ARG HB3 H 1 1.58 . . 2 . . . . . . . . 1677 1
20 . 1 1 4 4 ARG HG2 H 1 1.45 . . 1 . . . . . . . . 1677 1
21 . 1 1 4 4 ARG HG3 H 1 1.45 . . 1 . . . . . . . . 1677 1
22 . 1 1 4 4 ARG HD2 H 1 2.95 . . 1 . . . . . . . . 1677 1
23 . 1 1 4 4 ARG HD3 H 1 2.95 . . 1 . . . . . . . . 1677 1
24 . 1 1 4 4 ARG HE H 1 7.06 . . 1 . . . . . . . . 1677 1
25 . 1 1 5 5 CYS H H 1 8.96 . . 1 . . . . . . . . 1677 1
26 . 1 1 5 5 CYS HA H 1 5.05 . . 1 . . . . . . . . 1677 1
27 . 1 1 5 5 CYS HB2 H 1 2.88 . . 2 . . . . . . . . 1677 1
28 . 1 1 5 5 CYS HB3 H 1 3.01 . . 2 . . . . . . . . 1677 1
29 . 1 1 6 6 MET H H 1 8.69 . . 1 . . . . . . . . 1677 1
30 . 1 1 6 6 MET HA H 1 4.62 . . 1 . . . . . . . . 1677 1
31 . 1 1 6 6 MET HB2 H 1 1.89 . . 1 . . . . . . . . 1677 1
32 . 1 1 6 6 MET HB3 H 1 1.89 . . 1 . . . . . . . . 1677 1
33 . 1 1 6 6 MET HG2 H 1 1.65 . . 1 . . . . . . . . 1677 1
34 . 1 1 6 6 MET HG3 H 1 1.65 . . 1 . . . . . . . . 1677 1
35 . 1 1 7 7 VAL H H 1 8.65 . . 1 . . . . . . . . 1677 1
36 . 1 1 7 7 VAL HA H 1 4.14 . . 1 . . . . . . . . 1677 1
37 . 1 1 7 7 VAL HB H 1 1.89 . . 1 . . . . . . . . 1677 1
38 . 1 1 7 7 VAL HG11 H 1 .84 . . 1 . . . . . . . . 1677 1
39 . 1 1 7 7 VAL HG12 H 1 .84 . . 1 . . . . . . . . 1677 1
40 . 1 1 7 7 VAL HG13 H 1 .84 . . 1 . . . . . . . . 1677 1
41 . 1 1 7 7 VAL HG21 H 1 .84 . . 1 . . . . . . . . 1677 1
42 . 1 1 7 7 VAL HG22 H 1 .84 . . 1 . . . . . . . . 1677 1
43 . 1 1 7 7 VAL HG23 H 1 .84 . . 1 . . . . . . . . 1677 1
44 . 1 1 8 8 GLY H H 1 8.88 . . 1 . . . . . . . . 1677 1
45 . 1 1 8 8 GLY HA2 H 1 3.71 . . 2 . . . . . . . . 1677 1
46 . 1 1 8 8 GLY HA3 H 1 4 . . 2 . . . . . . . . 1677 1
47 . 1 1 9 9 ARG H H 1 8.68 . . 1 . . . . . . . . 1677 1
48 . 1 1 9 9 ARG HA H 1 4.33 . . 1 . . . . . . . . 1677 1
49 . 1 1 9 9 ARG HB2 H 1 1.76 . . 2 . . . . . . . . 1677 1
50 . 1 1 9 9 ARG HB3 H 1 2.02 . . 2 . . . . . . . . 1677 1
51 . 1 1 9 9 ARG HG2 H 1 1.6 . . 1 . . . . . . . . 1677 1
52 . 1 1 9 9 ARG HG3 H 1 1.6 . . 1 . . . . . . . . 1677 1
53 . 1 1 9 9 ARG HD2 H 1 3.19 . . 1 . . . . . . . . 1677 1
54 . 1 1 9 9 ARG HD3 H 1 3.19 . . 1 . . . . . . . . 1677 1
55 . 1 1 9 9 ARG HE H 1 7.19 . . 1 . . . . . . . . 1677 1
56 . 1 1 10 10 VAL H H 1 7.66 . . 1 . . . . . . . . 1677 1
57 . 1 1 10 10 VAL HA H 1 4.34 . . 1 . . . . . . . . 1677 1
58 . 1 1 10 10 VAL HB H 1 2.07 . . 1 . . . . . . . . 1677 1
59 . 1 1 10 10 VAL HG11 H 1 .91 . . 1 . . . . . . . . 1677 1
60 . 1 1 10 10 VAL HG12 H 1 .91 . . 1 . . . . . . . . 1677 1
61 . 1 1 10 10 VAL HG13 H 1 .91 . . 1 . . . . . . . . 1677 1
62 . 1 1 10 10 VAL HG21 H 1 .91 . . 1 . . . . . . . . 1677 1
63 . 1 1 10 10 VAL HG22 H 1 .91 . . 1 . . . . . . . . 1677 1
64 . 1 1 10 10 VAL HG23 H 1 .91 . . 1 . . . . . . . . 1677 1
65 . 1 1 11 11 TYR H H 1 8.42 . . 1 . . . . . . . . 1677 1
66 . 1 1 11 11 TYR HA H 1 4.94 . . 1 . . . . . . . . 1677 1
67 . 1 1 11 11 TYR HB2 H 1 2.82 . . 2 . . . . . . . . 1677 1
68 . 1 1 11 11 TYR HB3 H 1 2.86 . . 2 . . . . . . . . 1677 1
69 . 1 1 12 12 ARG H H 1 8.69 . . 1 . . . . . . . . 1677 1
70 . 1 1 12 12 ARG HA H 1 4.78 . . 1 . . . . . . . . 1677 1
71 . 1 1 12 12 ARG HB2 H 1 1.8 . . 1 . . . . . . . . 1677 1
72 . 1 1 12 12 ARG HB3 H 1 1.8 . . 1 . . . . . . . . 1677 1
73 . 1 1 12 12 ARG HG2 H 1 1.53 . . 2 . . . . . . . . 1677 1
74 . 1 1 12 12 ARG HG3 H 1 1.54 . . 2 . . . . . . . . 1677 1
75 . 1 1 12 12 ARG HD2 H 1 3.12 . . 1 . . . . . . . . 1677 1
76 . 1 1 12 12 ARG HD3 H 1 3.12 . . 1 . . . . . . . . 1677 1
77 . 1 1 12 12 ARG HE H 1 7.21 . . 1 . . . . . . . . 1677 1
78 . 1 1 13 13 PRO HA H 1 4.35 . . 1 . . . . . . . . 1677 1
79 . 1 1 13 13 PRO HB2 H 1 1.87 . . 2 . . . . . . . . 1677 1
80 . 1 1 13 13 PRO HB3 H 1 2 . . 2 . . . . . . . . 1677 1
81 . 1 1 13 13 PRO HG2 H 1 1.31 . . 1 . . . . . . . . 1677 1
82 . 1 1 13 13 PRO HG3 H 1 1.31 . . 1 . . . . . . . . 1677 1
83 . 1 1 13 13 PRO HD2 H 1 3.7 . . 2 . . . . . . . . 1677 1
84 . 1 1 13 13 PRO HD3 H 1 3.45 . . 2 . . . . . . . . 1677 1
85 . 1 1 14 14 CYS H H 1 8.72 . . 1 . . . . . . . . 1677 1
86 . 1 1 14 14 CYS HA H 1 4.76 . . 1 . . . . . . . . 1677 1
87 . 1 1 14 14 CYS HB2 H 1 1.28 . . 1 . . . . . . . . 1677 1
88 . 1 1 14 14 CYS HB3 H 1 1.28 . . 1 . . . . . . . . 1677 1
89 . 1 1 15 15 TRP H H 1 7.75 . . 1 . . . . . . . . 1677 1
90 . 1 1 15 15 TRP HA H 1 4.79 . . 1 . . . . . . . . 1677 1
91 . 1 1 15 15 TRP HB2 H 1 3.34 . . 1 . . . . . . . . 1677 1
92 . 1 1 15 15 TRP HB3 H 1 3.34 . . 1 . . . . . . . . 1677 1
93 . 1 1 16 16 GLU H H 1 7.88 . . 1 . . . . . . . . 1677 1
94 . 1 1 16 16 GLU HA H 1 4.41 . . 1 . . . . . . . . 1677 1
95 . 1 1 16 16 GLU HB2 H 1 2 . . 1 . . . . . . . . 1677 1
96 . 1 1 16 16 GLU HB3 H 1 2 . . 1 . . . . . . . . 1677 1
97 . 1 1 16 16 GLU HG2 H 1 1.68 . . 1 . . . . . . . . 1677 1
98 . 1 1 16 16 GLU HG3 H 1 1.68 . . 1 . . . . . . . . 1677 1
99 . 1 1 17 17 VAL H H 1 7.69 . . 1 . . . . . . . . 1677 1
100 . 1 1 17 17 VAL HA H 1 4.07 . . 1 . . . . . . . . 1677 1
101 . 1 1 17 17 VAL HB H 1 2.13 . . 1 . . . . . . . . 1677 1
102 . 1 1 17 17 VAL HG11 H 1 .89 . . 1 . . . . . . . . 1677 1
103 . 1 1 17 17 VAL HG12 H 1 .89 . . 1 . . . . . . . . 1677 1
104 . 1 1 17 17 VAL HG13 H 1 .89 . . 1 . . . . . . . . 1677 1
105 . 1 1 17 17 VAL HG21 H 1 .89 . . 1 . . . . . . . . 1677 1
106 . 1 1 17 17 VAL HG22 H 1 .89 . . 1 . . . . . . . . 1677 1
107 . 1 1 17 17 VAL HG23 H 1 .89 . . 1 . . . . . . . . 1677 1
stop_
save_