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 1202
_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 . 1202 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 2 2 LEU HB2 H 1 1.12 . . 1 . . . . . . . . 1202 1
2 . 1 1 2 2 LEU HB3 H 1 1.12 . . 1 . . . . . . . . 1202 1
3 . 1 1 2 2 LEU HG H 1 1.17 . . 1 . . . . . . . . 1202 1
4 . 1 1 2 2 LEU HD11 H 1 .13 . . 1 . . . . . . . . 1202 1
5 . 1 1 2 2 LEU HD12 H 1 .13 . . 1 . . . . . . . . 1202 1
6 . 1 1 2 2 LEU HD13 H 1 .13 . . 1 . . . . . . . . 1202 1
7 . 1 1 2 2 LEU HD21 H 1 -.05 . . 1 . . . . . . . . 1202 1
8 . 1 1 2 2 LEU HD22 H 1 -.05 . . 1 . . . . . . . . 1202 1
9 . 1 1 2 2 LEU HD23 H 1 -.05 . . 1 . . . . . . . . 1202 1
10 . 1 1 7 7 TRP HD1 H 1 7.05 . . 1 . . . . . . . . 1202 1
11 . 1 1 7 7 TRP HE1 H 1 10.04 . . 1 . . . . . . . . 1202 1
12 . 1 1 7 7 TRP HZ2 H 1 7.4 . . 1 . . . . . . . . 1202 1
13 . 1 1 7 7 TRP HZ3 H 1 6.95 . . 1 . . . . . . . . 1202 1
14 . 1 1 7 7 TRP HH2 H 1 7.01 . . 1 . . . . . . . . 1202 1
15 . 1 1 14 14 TRP HE1 H 1 10.28 . . 1 . . . . . . . . 1202 1
16 . 1 1 14 14 TRP HE3 H 1 7.09 . . 1 . . . . . . . . 1202 1
17 . 1 1 14 14 TRP HZ2 H 1 7.58 . . 1 . . . . . . . . 1202 1
18 . 1 1 14 14 TRP HZ3 H 1 6.69 . . 1 . . . . . . . . 1202 1
19 . 1 1 17 17 VAL HA H 1 1.73 . . 1 . . . . . . . . 1202 1
20 . 1 1 17 17 VAL HB H 1 .93 . . 1 . . . . . . . . 1202 1
21 . 1 1 17 17 VAL HG11 H 1 -.38 . . 1 . . . . . . . . 1202 1
22 . 1 1 17 17 VAL HG12 H 1 -.38 . . 1 . . . . . . . . 1202 1
23 . 1 1 17 17 VAL HG13 H 1 -.38 . . 1 . . . . . . . . 1202 1
24 . 1 1 17 17 VAL HG21 H 1 .1 . . 1 . . . . . . . . 1202 1
25 . 1 1 17 17 VAL HG22 H 1 .1 . . 1 . . . . . . . . 1202 1
26 . 1 1 17 17 VAL HG23 H 1 .1 . . 1 . . . . . . . . 1202 1
27 . 1 1 24 24 HIS HD2 H 1 6.36 . . 1 . . . . . . . . 1202 1
28 . 1 1 24 24 HIS HE1 H 1 8 . . 1 . . . . . . . . 1202 1
29 . 1 1 33 33 PHE HD1 H 1 7.05 . . 1 . . . . . . . . 1202 1
30 . 1 1 33 33 PHE HD2 H 1 7.05 . . 1 . . . . . . . . 1202 1
31 . 1 1 33 33 PHE HE1 H 1 6.72 . . 1 . . . . . . . . 1202 1
32 . 1 1 33 33 PHE HE2 H 1 6.72 . . 1 . . . . . . . . 1202 1
33 . 1 1 33 33 PHE HZ H 1 6.19 . . 1 . . . . . . . . 1202 1
34 . 1 1 36 36 HIS HD2 H 1 7.11 . . 1 . . . . . . . . 1202 1
35 . 1 1 36 36 HIS HE1 H 1 8.01 . . 1 . . . . . . . . 1202 1
36 . 1 1 40 40 LEU HB2 H 1 1.38 . . 2 . . . . . . . . 1202 1
37 . 1 1 40 40 LEU HB3 H 1 1.63 . . 2 . . . . . . . . 1202 1
38 . 1 1 40 40 LEU HG H 1 1.24 . . 1 . . . . . . . . 1202 1
39 . 1 1 40 40 LEU HD11 H 1 .37 . . 1 . . . . . . . . 1202 1
40 . 1 1 40 40 LEU HD12 H 1 .37 . . 1 . . . . . . . . 1202 1
41 . 1 1 40 40 LEU HD13 H 1 .37 . . 1 . . . . . . . . 1202 1
42 . 1 1 40 40 LEU HD21 H 1 .35 . . 1 . . . . . . . . 1202 1
43 . 1 1 40 40 LEU HD22 H 1 .35 . . 1 . . . . . . . . 1202 1
44 . 1 1 40 40 LEU HD23 H 1 .35 . . 1 . . . . . . . . 1202 1
45 . 1 1 43 43 PHE HD1 H 1 7.3 . . 1 . . . . . . . . 1202 1
46 . 1 1 43 43 PHE HD2 H 1 7.3 . . 1 . . . . . . . . 1202 1
47 . 1 1 43 43 PHE HE1 H 1 7.1 . . 1 . . . . . . . . 1202 1
48 . 1 1 43 43 PHE HE2 H 1 7.1 . . 1 . . . . . . . . 1202 1
49 . 1 1 43 43 PHE HZ H 1 6.49 . . 1 . . . . . . . . 1202 1
50 . 1 1 46 46 PHE HA H 1 5.01 . . 1 . . . . . . . . 1202 1
51 . 1 1 46 46 PHE HD1 H 1 6.87 . . 1 . . . . . . . . 1202 1
52 . 1 1 46 46 PHE HD2 H 1 6.87 . . 1 . . . . . . . . 1202 1
53 . 1 1 46 46 PHE HE1 H 1 6.77 . . 1 . . . . . . . . 1202 1
54 . 1 1 46 46 PHE HE2 H 1 6.77 . . 1 . . . . . . . . 1202 1
55 . 1 1 46 46 PHE HZ H 1 6.81 . . 1 . . . . . . . . 1202 1
56 . 1 1 48 48 HIS HD2 H 1 7.13 . . 1 . . . . . . . . 1202 1
57 . 1 1 48 48 HIS HE1 H 1 8.18 . . 1 . . . . . . . . 1202 1
58 . 1 1 49 49 LEU HG H 1 1.14 . . 1 . . . . . . . . 1202 1
59 . 1 1 49 49 LEU HD11 H 1 .98 . . 1 . . . . . . . . 1202 1
60 . 1 1 49 49 LEU HD12 H 1 .98 . . 1 . . . . . . . . 1202 1
61 . 1 1 49 49 LEU HD13 H 1 .98 . . 1 . . . . . . . . 1202 1
62 . 1 1 49 49 LEU HD21 H 1 .7 . . 1 . . . . . . . . 1202 1
63 . 1 1 49 49 LEU HD22 H 1 .7 . . 1 . . . . . . . . 1202 1
64 . 1 1 49 49 LEU HD23 H 1 .7 . . 1 . . . . . . . . 1202 1
65 . 1 1 55 55 MET HE1 H 1 1.79 . . 1 . . . . . . . . 1202 1
66 . 1 1 55 55 MET HE2 H 1 1.79 . . 1 . . . . . . . . 1202 1
67 . 1 1 55 55 MET HE3 H 1 1.79 . . 1 . . . . . . . . 1202 1
68 . 1 1 106 106 PHE HD1 H 1 6.75 . . 1 . . . . . . . . 1202 1
69 . 1 1 106 106 PHE HD2 H 1 6.75 . . 1 . . . . . . . . 1202 1
70 . 1 1 106 106 PHE HE1 H 1 7.18 . . 1 . . . . . . . . 1202 1
71 . 1 1 106 106 PHE HE2 H 1 7.18 . . 1 . . . . . . . . 1202 1
72 . 1 1 106 106 PHE HZ H 1 7.18 . . 1 . . . . . . . . 1202 1
73 . 1 1 115 115 LEU HG H 1 1.69 . . 1 . . . . . . . . 1202 1
74 . 1 1 115 115 LEU HD11 H 1 .49 . . 1 . . . . . . . . 1202 1
75 . 1 1 115 115 LEU HD12 H 1 .49 . . 1 . . . . . . . . 1202 1
76 . 1 1 115 115 LEU HD13 H 1 .49 . . 1 . . . . . . . . 1202 1
77 . 1 1 115 115 LEU HD21 H 1 .61 . . 1 . . . . . . . . 1202 1
78 . 1 1 115 115 LEU HD22 H 1 .61 . . 1 . . . . . . . . 1202 1
79 . 1 1 115 115 LEU HD23 H 1 .61 . . 1 . . . . . . . . 1202 1
80 . 1 1 119 119 HIS HD2 H 1 6.9 . . 1 . . . . . . . . 1202 1
81 . 1 1 119 119 HIS HE1 H 1 8.52 . . 1 . . . . . . . . 1202 1
82 . 1 1 123 123 PHE HD1 H 1 7.14 . . 1 . . . . . . . . 1202 1
83 . 1 1 123 123 PHE HD2 H 1 7.14 . . 1 . . . . . . . . 1202 1
84 . 1 1 123 123 PHE HE1 H 1 7.25 . . 1 . . . . . . . . 1202 1
85 . 1 1 123 123 PHE HE2 H 1 7.25 . . 1 . . . . . . . . 1202 1
86 . 1 1 123 123 PHE HZ H 1 7.03 . . 1 . . . . . . . . 1202 1
87 . 1 1 131 131 MET HE1 H 1 2.16 . . 1 . . . . . . . . 1202 1
88 . 1 1 131 131 MET HE2 H 1 2.16 . . 1 . . . . . . . . 1202 1
89 . 1 1 131 131 MET HE3 H 1 2.16 . . 1 . . . . . . . . 1202 1
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