Content for NMR-STAR saveframe, "chemical_shift_assignment_one"
save_chemical_shift_assignment_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one
_Assigned_chem_shift_list.Entry_ID 4203
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_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 '1H NOESY' 1 $sample_one . 4203 1
2 '1H TOCY' 1 $sample_one . 4203 1
3 '1H DQF-COSY' 1 $sample_one . 4203 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.Ambiguity_set_ID
_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 LYS HA H 1 4.024 . . 1 . . . . . . . . . 4203 1
2 . 1 1 1 1 LYS HB2 H 1 1.883 . . 1 . . . . . . . . . 4203 1
3 . 1 1 1 1 LYS HB3 H 1 1.883 . . 1 . . . . . . . . . 4203 1
4 . 1 1 1 1 LYS HG2 H 1 1.457 . . 1 . . . . . . . . . 4203 1
5 . 1 1 1 1 LYS HG3 H 1 1.457 . . 1 . . . . . . . . . 4203 1
6 . 1 1 1 1 LYS HD2 H 1 1.667 . . 1 . . . . . . . . . 4203 1
7 . 1 1 1 1 LYS HD3 H 1 1.667 . . 1 . . . . . . . . . 4203 1
8 . 1 1 1 1 LYS HE2 H 1 2.969 . . 1 . . . . . . . . . 4203 1
9 . 1 1 1 1 LYS HE3 H 1 2.969 . . 1 . . . . . . . . . 4203 1
10 . 1 1 2 2 GLU H H 1 9.021 . . 1 . . . . . . . . . 4203 1
11 . 1 1 2 2 GLU HA H 1 4.323 . . 1 . . . . . . . . . 4203 1
12 . 1 1 2 2 GLU HB2 H 1 1.928 . . 1 . . . . . . . . . 4203 1
13 . 1 1 2 2 GLU HB3 H 1 2.028 . . 1 . . . . . . . . . 4203 1
14 . 1 1 2 2 GLU HG2 H 1 2.310 . . 1 . . . . . . . . . 4203 1
15 . 1 1 2 2 GLU HG3 H 1 2.310 . . 1 . . . . . . . . . 4203 1
16 . 1 1 3 3 GLY H H 1 8.708 . . 1 . . . . . . . . . 4203 1
17 . 1 1 3 3 GLY HA2 H 1 3.895 . . 1 . . . . . . . . . 4203 1
18 . 1 1 3 3 GLY HA3 H 1 3.895 . . 1 . . . . . . . . . 4203 1
19 . 1 1 4 4 TYR H H 1 8.097 . . 1 . . . . . . . . . 4203 1
20 . 1 1 4 4 TYR HA H 1 4.613 . . 1 . . . . . . . . . 4203 1
21 . 1 1 4 4 TYR HB2 H 1 2.920 . . 1 . . . . . . . . . 4203 1
22 . 1 1 4 4 TYR HB3 H 1 2.979 . . 1 . . . . . . . . . 4203 1
23 . 1 1 4 4 TYR HD1 H 1 7.054 . . 1 . . . . . . . . . 4203 1
24 . 1 1 4 4 TYR HD2 H 1 7.054 . . 1 . . . . . . . . . 4203 1
25 . 1 1 4 4 TYR HE1 H 1 6.810 . . 1 . . . . . . . . . 4203 1
26 . 1 1 4 4 TYR HE2 H 1 6.810 . . 1 . . . . . . . . . 4203 1
27 . 1 1 5 5 LEU H H 1 8.460 . . 1 . . . . . . . . . 4203 1
28 . 1 1 5 5 LEU HA H 1 4.369 . . 1 . . . . . . . . . 4203 1
29 . 1 1 5 5 LEU HB2 H 1 1.425 . . 1 . . . . . . . . . 4203 1
30 . 1 1 5 5 LEU HB3 H 1 1.425 . . 1 . . . . . . . . . 4203 1
31 . 1 1 5 5 LEU HG H 1 1.425 . . 1 . . . . . . . . . 4203 1
32 . 1 1 5 5 LEU HD11 H 1 0.821 . . 1 . . . . . . . . . 4203 1
33 . 1 1 5 5 LEU HD12 H 1 0.821 . . 1 . . . . . . . . . 4203 1
34 . 1 1 5 5 LEU HD13 H 1 0.821 . . 1 . . . . . . . . . 4203 1
35 . 1 1 5 5 LEU HD21 H 1 0.863 . . 1 . . . . . . . . . 4203 1
36 . 1 1 5 5 LEU HD22 H 1 0.863 . . 1 . . . . . . . . . 4203 1
37 . 1 1 5 5 LEU HD23 H 1 0.863 . . 1 . . . . . . . . . 4203 1
38 . 1 1 6 6 VAL H H 1 8.202 . . 1 . . . . . . . . . 4203 1
39 . 1 1 6 6 VAL HA H 1 4.138 . . 1 . . . . . . . . . 4203 1
40 . 1 1 6 6 VAL HB H 1 1.953 . . 1 . . . . . . . . . 4203 1
41 . 1 1 6 6 VAL HG11 H 1 0.838 . . 1 . . . . . . . . . 4203 1
42 . 1 1 6 6 VAL HG12 H 1 0.838 . . 1 . . . . . . . . . 4203 1
43 . 1 1 6 6 VAL HG13 H 1 0.838 . . 1 . . . . . . . . . 4203 1
44 . 1 1 6 6 VAL HG21 H 1 0.901 . . 1 . . . . . . . . . 4203 1
45 . 1 1 6 6 VAL HG22 H 1 0.901 . . 1 . . . . . . . . . 4203 1
46 . 1 1 6 6 VAL HG23 H 1 0.901 . . 1 . . . . . . . . . 4203 1
47 . 1 1 7 7 ASP H H 1 8.606 . . 1 . . . . . . . . . 4203 1
48 . 1 1 7 7 ASP HA H 1 4.600 . . 1 . . . . . . . . . 4203 1
49 . 1 1 7 7 ASP HB2 H 1 2.565 . . 1 . . . . . . . . . 4203 1
50 . 1 1 7 7 ASP HB3 H 1 2.875 . . 1 . . . . . . . . . 4203 1
51 . 1 1 8 8 LYS H H 1 8.740 . . 1 . . . . . . . . . 4203 1
52 . 1 1 8 8 LYS HA H 1 4.176 . . 1 . . . . . . . . . 4203 1
53 . 1 1 8 8 LYS HB2 H 1 1.803 . . 1 . . . . . . . . . 4203 1
54 . 1 1 8 8 LYS HB3 H 1 1.803 . . 1 . . . . . . . . . 4203 1
55 . 1 1 8 8 LYS HG2 H 1 1.426 . . 1 . . . . . . . . . 4203 1
56 . 1 1 8 8 LYS HG3 H 1 1.426 . . 1 . . . . . . . . . 4203 1
57 . 1 1 8 8 LYS HD2 H 1 1.666 . . 1 . . . . . . . . . 4203 1
58 . 1 1 8 8 LYS HD3 H 1 1.666 . . 1 . . . . . . . . . 4203 1
59 . 1 1 8 8 LYS HE2 H 1 2.981 . . 1 . . . . . . . . . 4203 1
60 . 1 1 8 8 LYS HE3 H 1 2.981 . . 1 . . . . . . . . . 4203 1
61 . 1 1 9 9 ASN H H 1 8.711 . . 1 . . . . . . . . . 4203 1
62 . 1 1 9 9 ASN HA H 1 4.748 . . 1 . . . . . . . . . 4203 1
63 . 1 1 9 9 ASN HB2 H 1 2.864 . . 1 . . . . . . . . . 4203 1
64 . 1 1 9 9 ASN HB3 H 1 2.864 . . 1 . . . . . . . . . 4203 1
65 . 1 1 9 9 ASN HD21 H 1 7.083 . . 1 . . . . . . . . . 4203 1
66 . 1 1 9 9 ASN HD22 H 1 7.912 . . 1 . . . . . . . . . 4203 1
67 . 1 1 10 10 THR H H 1 8.125 . . 1 . . . . . . . . . 4203 1
68 . 1 1 10 10 THR HA H 1 4.348 . . 1 . . . . . . . . . 4203 1
69 . 1 1 10 10 THR HB H 1 4.348 . . 1 . . . . . . . . . 4203 1
70 . 1 1 10 10 THR HG21 H 1 1.202 . . 1 . . . . . . . . . 4203 1
71 . 1 1 10 10 THR HG22 H 1 1.202 . . 1 . . . . . . . . . 4203 1
72 . 1 1 10 10 THR HG23 H 1 1.202 . . 1 . . . . . . . . . 4203 1
73 . 1 1 11 11 GLY H H 1 8.569 . . 1 . . . . . . . . . 4203 1
74 . 1 1 11 11 GLY HA2 H 1 3.860 . . 1 . . . . . . . . . 4203 1
75 . 1 1 11 11 GLY HA3 H 1 4.011 . . 1 . . . . . . . . . 4203 1
76 . 1 1 12 12 CYS H H 1 8.283 . . 1 . . . . . . . . . 4203 1
77 . 1 1 12 12 CYS HA H 1 4.674 . . 1 . . . . . . . . . 4203 1
78 . 1 1 12 12 CYS HB2 H 1 2.911 . . 1 . . . . . . . . . 4203 1
79 . 1 1 12 12 CYS HB3 H 1 3.120 . . 1 . . . . . . . . . 4203 1
80 . 1 1 13 13 LYS H H 1 8.666 . . 1 . . . . . . . . . 4203 1
81 . 1 1 13 13 LYS HA H 1 4.505 . . 1 . . . . . . . . . 4203 1
82 . 1 1 13 13 LYS HB2 H 1 1.665 . . 1 . . . . . . . . . 4203 1
83 . 1 1 13 13 LYS HB3 H 1 1.665 . . 1 . . . . . . . . . 4203 1
84 . 1 1 13 13 LYS HG2 H 1 1.232 . . 1 . . . . . . . . . 4203 1
85 . 1 1 13 13 LYS HG3 H 1 1.232 . . 1 . . . . . . . . . 4203 1
86 . 1 1 13 13 LYS HD2 H 1 1.530 . . 1 . . . . . . . . . 4203 1
87 . 1 1 13 13 LYS HD3 H 1 1.530 . . 1 . . . . . . . . . 4203 1
88 . 1 1 13 13 LYS HE2 H 1 2.843 . . 1 . . . . . . . . . 4203 1
89 . 1 1 13 13 LYS HE3 H 1 2.843 . . 1 . . . . . . . . . 4203 1
90 . 1 1 14 14 TYR H H 1 8.579 . . 1 . . . . . . . . . 4203 1
91 . 1 1 14 14 TYR HA H 1 4.622 . . 1 . . . . . . . . . 4203 1
92 . 1 1 14 14 TYR HB2 H 1 2.909 . . 1 . . . . . . . . . 4203 1
93 . 1 1 14 14 TYR HB3 H 1 3.008 . . 1 . . . . . . . . . 4203 1
94 . 1 1 14 14 TYR HD1 H 1 7.079 . . 1 . . . . . . . . . 4203 1
95 . 1 1 14 14 TYR HD2 H 1 7.079 . . 1 . . . . . . . . . 4203 1
96 . 1 1 14 14 TYR HE1 H 1 6.750 . . 1 . . . . . . . . . 4203 1
97 . 1 1 14 14 TYR HE2 H 1 6.750 . . 1 . . . . . . . . . 4203 1
98 . 1 1 15 15 GLN H H 1 8.503 . . 1 . . . . . . . . . 4203 1
99 . 1 1 15 15 GLN HA H 1 4.203 . . 1 . . . . . . . . . 4203 1
100 . 1 1 15 15 GLN HB2 H 1 1.866 . . 1 . . . . . . . . . 4203 1
101 . 1 1 15 15 GLN HB3 H 1 2.014 . . 1 . . . . . . . . . 4203 1
102 . 1 1 15 15 GLN HG2 H 1 2.230 . . 1 . . . . . . . . . 4203 1
103 . 1 1 15 15 GLN HG3 H 1 2.230 . . 1 . . . . . . . . . 4203 1
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save_