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 2014
_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 . 2014 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 HIS HA H 1 4.28 . . 1 . . . . . . . . 2014 1
2 . 1 1 1 1 HIS HB2 H 1 3.21 . . 2 . . . . . . . . 2014 1
3 . 1 1 1 1 HIS HB3 H 1 3.31 . . 2 . . . . . . . . 2014 1
4 . 1 1 2 2 VAL H H 1 8.63 . . 1 . . . . . . . . 2014 1
5 . 1 1 2 2 VAL HA H 1 4.17 . . 1 . . . . . . . . 2014 1
6 . 1 1 2 2 VAL HB H 1 1.99 . . 1 . . . . . . . . 2014 1
7 . 1 1 2 2 VAL HG11 H 1 .91 . . 1 . . . . . . . . 2014 1
8 . 1 1 2 2 VAL HG12 H 1 .91 . . 1 . . . . . . . . 2014 1
9 . 1 1 2 2 VAL HG13 H 1 .91 . . 1 . . . . . . . . 2014 1
10 . 1 1 2 2 VAL HG21 H 1 .91 . . 1 . . . . . . . . 2014 1
11 . 1 1 2 2 VAL HG22 H 1 .91 . . 1 . . . . . . . . 2014 1
12 . 1 1 2 2 VAL HG23 H 1 .91 . . 1 . . . . . . . . 2014 1
13 . 1 1 3 3 PHE H H 1 8.84 . . 1 . . . . . . . . 2014 1
14 . 1 1 3 3 PHE HA H 1 4.63 . . 1 . . . . . . . . 2014 1
15 . 1 1 3 3 PHE HB2 H 1 3.06 . . 1 . . . . . . . . 2014 1
16 . 1 1 3 3 PHE HB3 H 1 3.06 . . 1 . . . . . . . . 2014 1
17 . 1 1 4 4 LEU H H 1 8.36 . . 1 . . . . . . . . 2014 1
18 . 1 1 4 4 LEU HA H 1 4.37 . . 1 . . . . . . . . 2014 1
19 . 1 1 5 5 ALA H H 1 8.58 . . 1 . . . . . . . . 2014 1
20 . 1 1 5 5 ALA HA H 1 4.3 . . 1 . . . . . . . . 2014 1
21 . 1 1 5 5 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 2014 1
22 . 1 1 5 5 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 2014 1
23 . 1 1 5 5 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 2014 1
24 . 1 1 6 6 PRO HA H 1 4.39 . . 1 . . . . . . . . 2014 1
25 . 1 1 6 6 PRO HB2 H 1 1.91 . . 1 . . . . . . . . 2014 1
26 . 1 1 6 6 PRO HB3 H 1 1.91 . . 1 . . . . . . . . 2014 1
27 . 1 1 6 6 PRO HG2 H 1 2.07 . . 2 . . . . . . . . 2014 1
28 . 1 1 6 6 PRO HG3 H 1 2.39 . . 2 . . . . . . . . 2014 1
29 . 1 1 6 6 PRO HD2 H 1 3.71 . . 2 . . . . . . . . 2014 1
30 . 1 1 6 6 PRO HD3 H 1 3.85 . . 2 . . . . . . . . 2014 1
31 . 1 1 7 7 GLN H H 1 8.53 . . 1 . . . . . . . . 2014 1
32 . 1 1 7 7 GLN HA H 1 4.27 . . 1 . . . . . . . . 2014 1
33 . 1 1 7 7 GLN HB2 H 1 2.07 . . 1 . . . . . . . . 2014 1
34 . 1 1 7 7 GLN HB3 H 1 2.07 . . 1 . . . . . . . . 2014 1
35 . 1 1 7 7 GLN HG2 H 1 2.4 . . 1 . . . . . . . . 2014 1
36 . 1 1 7 7 GLN HG3 H 1 2.4 . . 1 . . . . . . . . 2014 1
37 . 1 1 8 8 GLN H H 1 8.74 . . 1 . . . . . . . . 2014 1
38 . 1 1 8 8 GLN HA H 1 4.26 . . 1 . . . . . . . . 2014 1
39 . 1 1 8 8 GLN HB2 H 1 2.04 . . 1 . . . . . . . . 2014 1
40 . 1 1 8 8 GLN HB3 H 1 2.04 . . 1 . . . . . . . . 2014 1
41 . 1 1 8 8 GLN HG2 H 1 2.4 . . 1 . . . . . . . . 2014 1
42 . 1 1 8 8 GLN HG3 H 1 2.4 . . 1 . . . . . . . . 2014 1
43 . 1 1 9 9 ALA H H 1 8.48 . . 1 . . . . . . . . 2014 1
44 . 1 1 9 9 ALA HA H 1 4.46 . . 1 . . . . . . . . 2014 1
45 . 1 1 9 9 ALA HB1 H 1 2.06 . . 1 . . . . . . . . 2014 1
46 . 1 1 9 9 ALA HB2 H 1 2.06 . . 1 . . . . . . . . 2014 1
47 . 1 1 9 9 ALA HB3 H 1 2.06 . . 1 . . . . . . . . 2014 1
48 . 1 1 11 11 SER H H 1 8.43 . . 1 . . . . . . . . 2014 1
49 . 1 1 11 11 SER HA H 1 4.42 . . 1 . . . . . . . . 2014 1
50 . 1 1 11 11 SER HB2 H 1 3.93 . . 2 . . . . . . . . 2014 1
51 . 1 1 11 11 SER HB3 H 1 3.88 . . 2 . . . . . . . . 2014 1
52 . 1 1 12 12 LEU H H 1 8.16 . . 1 . . . . . . . . 2014 1
53 . 1 1 12 12 LEU HA H 1 4.31 . . 1 . . . . . . . . 2014 1
54 . 1 1 13 13 LEU H H 1 8.31 . . 1 . . . . . . . . 2014 1
55 . 1 1 13 13 LEU HA H 1 4.32 . . 1 . . . . . . . . 2014 1
56 . 1 1 13 13 LEU HB2 H 1 1.69 . . 2 . . . . . . . . 2014 1
57 . 1 1 13 13 LEU HB3 H 1 1.85 . . 2 . . . . . . . . 2014 1
58 . 1 1 13 13 LEU HG H 1 1.65 . . 1 . . . . . . . . 2014 1
59 . 1 1 13 13 LEU HD11 H 1 .84 . . 2 . . . . . . . . 2014 1
60 . 1 1 13 13 LEU HD12 H 1 .84 . . 2 . . . . . . . . 2014 1
61 . 1 1 13 13 LEU HD13 H 1 .84 . . 2 . . . . . . . . 2014 1
62 . 1 1 13 13 LEU HD21 H 1 .9 . . 2 . . . . . . . . 2014 1
63 . 1 1 13 13 LEU HD22 H 1 .9 . . 2 . . . . . . . . 2014 1
64 . 1 1 13 13 LEU HD23 H 1 .9 . . 2 . . . . . . . . 2014 1
65 . 1 1 14 14 GLN H H 1 8.4 . . 1 . . . . . . . . 2014 1
66 . 1 1 14 14 GLN HA H 1 4.3 . . 1 . . . . . . . . 2014 1
67 . 1 1 15 15 ARG H H 1 8.55 . . 1 . . . . . . . . 2014 1
68 . 1 1 15 15 ARG HA H 1 4.28 . . 1 . . . . . . . . 2014 1
69 . 1 1 15 15 ARG HB2 H 1 1.71 . . 1 . . . . . . . . 2014 1
70 . 1 1 15 15 ARG HB3 H 1 1.71 . . 1 . . . . . . . . 2014 1
71 . 1 1 15 15 ARG HG2 H 1 1.48 . . 1 . . . . . . . . 2014 1
72 . 1 1 15 15 ARG HG3 H 1 1.48 . . 1 . . . . . . . . 2014 1
73 . 1 1 15 15 ARG HD2 H 1 3.12 . . 1 . . . . . . . . 2014 1
74 . 1 1 15 15 ARG HD3 H 1 3.12 . . 1 . . . . . . . . 2014 1
75 . 1 1 15 15 ARG HH11 H 1 7.13 . . 1 . . . . . . . . 2014 1
76 . 1 1 15 15 ARG HH12 H 1 7.13 . . 1 . . . . . . . . 2014 1
77 . 1 1 15 15 ARG HH21 H 1 7.13 . . 1 . . . . . . . . 2014 1
78 . 1 1 15 15 ARG HH22 H 1 7.13 . . 1 . . . . . . . . 2014 1
79 . 1 1 16 16 VAL H H 1 8.31 . . 1 . . . . . . . . 2014 1
80 . 1 1 16 16 VAL HA H 1 4.08 . . 1 . . . . . . . . 2014 1
81 . 1 1 16 16 VAL HB H 1 2.06 . . 1 . . . . . . . . 2014 1
82 . 1 1 16 16 VAL HG11 H 1 .89 . . 2 . . . . . . . . 2014 1
83 . 1 1 16 16 VAL HG12 H 1 .89 . . 2 . . . . . . . . 2014 1
84 . 1 1 16 16 VAL HG13 H 1 .89 . . 2 . . . . . . . . 2014 1
85 . 1 1 16 16 VAL HG21 H 1 .97 . . 2 . . . . . . . . 2014 1
86 . 1 1 16 16 VAL HG22 H 1 .97 . . 2 . . . . . . . . 2014 1
87 . 1 1 16 16 VAL HG23 H 1 .97 . . 2 . . . . . . . . 2014 1
88 . 1 1 18 18 ARG H H 1 8.51 . . 1 . . . . . . . . 2014 1
89 . 1 1 18 18 ARG HA H 1 4.28 . . 1 . . . . . . . . 2014 1
90 . 1 1 19 19 TYR H H 1 8.23 . . 1 . . . . . . . . 2014 1
91 . 1 1 19 19 TYR HA H 1 4.51 . . 1 . . . . . . . . 2014 1
92 . 1 1 19 19 TYR HB2 H 1 2.89 . . 2 . . . . . . . . 2014 1
93 . 1 1 19 19 TYR HB3 H 1 3.12 . . 2 . . . . . . . . 2014 1
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save_