Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 36125
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_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 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36125 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36125 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 2 2 LEU H H 1 8.360 0.000 . . . . . . A 2 LEU H . 36125 1
2 . 1 . 1 2 2 LEU HA H 1 4.691 0.000 . . . . . . A 2 LEU HA . 36125 1
3 . 1 . 1 2 2 LEU HB2 H 1 1.403 0.000 . . . . . . A 2 LEU HB2 . 36125 1
4 . 1 . 1 2 2 LEU HB3 H 1 1.324 0.000 . . . . . . A 2 LEU HB3 . 36125 1
5 . 1 . 1 2 2 LEU HD11 H 1 0.697 0.000 . . . . . . A 2 LEU HD11 . 36125 1
6 . 1 . 1 2 2 LEU HD12 H 1 0.697 0.000 . . . . . . A 2 LEU HD12 . 36125 1
7 . 1 . 1 2 2 LEU HD13 H 1 0.697 0.000 . . . . . . A 2 LEU HD13 . 36125 1
8 . 1 . 1 4 4 LYS H H 1 8.189 0.009 . . . . . . A 4 LYS H . 36125 1
9 . 1 . 1 4 4 LYS HA H 1 3.975 0.000 . . . . . . A 4 LYS HA . 36125 1
10 . 1 . 1 4 4 LYS HB2 H 1 1.494 0.000 . . . . . . A 4 LYS HB2 . 36125 1
11 . 1 . 1 5 5 LEU H H 1 7.998 0.000 . . . . . . A 5 LEU H . 36125 1
12 . 1 . 1 5 5 LEU HA H 1 4.094 0.000 . . . . . . A 5 LEU HA . 36125 1
13 . 1 . 1 5 5 LEU HB2 H 1 1.339 0.000 . . . . . . A 5 LEU HB2 . 36125 1
14 . 1 . 1 5 5 LEU HB3 H 1 1.230 0.000 . . . . . . A 5 LEU HB3 . 36125 1
15 . 1 . 1 5 5 LEU HG H 1 1.131 0.000 . . . . . . A 5 LEU HG . 36125 1
16 . 1 . 1 5 5 LEU HD11 H 1 0.690 0.000 . . . . . . A 5 LEU HD11 . 36125 1
17 . 1 . 1 5 5 LEU HD12 H 1 0.690 0.000 . . . . . . A 5 LEU HD12 . 36125 1
18 . 1 . 1 5 5 LEU HD13 H 1 0.690 0.000 . . . . . . A 5 LEU HD13 . 36125 1
19 . 1 . 1 5 5 LEU HD21 H 1 0.610 0.000 . . . . . . A 5 LEU HD21 . 36125 1
20 . 1 . 1 5 5 LEU HD22 H 1 0.610 0.000 . . . . . . A 5 LEU HD22 . 36125 1
21 . 1 . 1 5 5 LEU HD23 H 1 0.610 0.000 . . . . . . A 5 LEU HD23 . 36125 1
22 . 1 . 1 6 6 PHE H H 1 8.077 0.000 . . . . . . A 6 PHE H . 36125 1
23 . 1 . 1 6 6 PHE HA H 1 4.373 0.000 . . . . . . A 6 PHE HA . 36125 1
24 . 1 . 1 6 6 PHE HB2 H 1 2.945 0.000 . . . . . . A 6 PHE HB2 . 36125 1
25 . 1 . 1 6 6 PHE HB3 H 1 2.800 0.000 . . . . . . A 6 PHE HB3 . 36125 1
26 . 1 . 1 7 7 ALA H H 1 7.983 0.000 . . . . . . A 7 ALA H . 36125 1
27 . 1 . 1 7 7 ALA HA H 1 4.071 0.000 . . . . . . A 7 ALA HA . 36125 1
28 . 1 . 1 7 7 ALA HB1 H 1 1.137 0.000 . . . . . . A 7 ALA HB1 . 36125 1
29 . 1 . 1 7 7 ALA HB2 H 1 1.137 0.000 . . . . . . A 7 ALA HB2 . 36125 1
30 . 1 . 1 7 7 ALA HB3 H 1 1.137 0.000 . . . . . . A 7 ALA HB3 . 36125 1
31 . 1 . 1 8 8 LYS H H 1 8.092 0.000 . . . . . . A 8 LYS H . 36125 1
32 . 1 . 1 8 8 LYS HA H 1 4.062 0.000 . . . . . . A 8 LYS HA . 36125 1
33 . 1 . 1 8 8 LYS HB2 H 1 1.576 0.000 . . . . . . A 8 LYS HB2 . 36125 1
34 . 1 . 1 8 8 LYS HB3 H 1 1.504 0.000 . . . . . . A 8 LYS HB3 . 36125 1
35 . 1 . 1 8 8 LYS HG2 H 1 1.266 0.000 . . . . . . A 8 LYS HG2 . 36125 1
36 . 1 . 1 8 8 LYS HG3 H 1 1.200 0.000 . . . . . . A 8 LYS HG3 . 36125 1
37 . 1 . 1 8 8 LYS HD2 H 1 1.364 0.000 . . . . . . A 8 LYS HD2 . 36125 1
38 . 1 . 1 9 9 ILE H H 1 8.119 0.000 . . . . . . A 9 ILE H . 36125 1
39 . 1 . 1 9 9 ILE HA H 1 4.035 0.000 . . . . . . A 9 ILE HA . 36125 1
40 . 1 . 1 9 9 ILE HB H 1 1.663 0.000 . . . . . . A 9 ILE HB . 36125 1
41 . 1 . 1 9 9 ILE HG12 H 1 1.274 0.000 . . . . . . A 9 ILE HG12 . 36125 1
42 . 1 . 1 9 9 ILE HG13 H 1 0.993 0.000 . . . . . . A 9 ILE HG13 . 36125 1
43 . 1 . 1 9 9 ILE HG21 H 1 0.697 0.000 . . . . . . A 9 ILE HG21 . 36125 1
44 . 1 . 1 9 9 ILE HG22 H 1 0.697 0.000 . . . . . . A 9 ILE HG22 . 36125 1
45 . 1 . 1 9 9 ILE HG23 H 1 0.697 0.000 . . . . . . A 9 ILE HG23 . 36125 1
46 . 1 . 1 9 9 ILE HD11 H 1 0.625 0.000 . . . . . . A 9 ILE HD11 . 36125 1
47 . 1 . 1 9 9 ILE HD12 H 1 0.625 0.000 . . . . . . A 9 ILE HD12 . 36125 1
48 . 1 . 1 9 9 ILE HD13 H 1 0.625 0.000 . . . . . . A 9 ILE HD13 . 36125 1
49 . 1 . 1 10 10 THR H H 1 8.205 0.000 . . . . . . A 10 THR H . 36125 1
50 . 1 . 1 10 10 THR HA H 1 4.691 0.000 . . . . . . A 10 THR HA . 36125 1
51 . 1 . 1 10 10 THR HB H 1 4.153 0.000 . . . . . . A 10 THR HB . 36125 1
52 . 1 . 1 10 10 THR HG21 H 1 0.984 0.000 . . . . . . A 10 THR HG21 . 36125 1
53 . 1 . 1 10 10 THR HG22 H 1 0.984 0.000 . . . . . . A 10 THR HG22 . 36125 1
54 . 1 . 1 10 10 THR HG23 H 1 0.984 0.000 . . . . . . A 10 THR HG23 . 36125 1
55 . 1 . 1 11 11 LYS H H 1 8.248 0.000 . . . . . . A 11 LYS H . 36125 1
56 . 1 . 1 11 11 LYS HA H 1 4.100 0.000 . . . . . . A 11 LYS HA . 36125 1
57 . 1 . 1 11 11 LYS HB2 H 1 1.624 0.000 . . . . . . A 11 LYS HB2 . 36125 1
58 . 1 . 1 11 11 LYS HG2 H 1 1.201 0.000 . . . . . . A 11 LYS HG2 . 36125 1
59 . 1 . 1 11 11 LYS HD2 H 1 1.467 0.000 . . . . . . A 11 LYS HD2 . 36125 1
60 . 1 . 1 11 11 LYS HE2 H 1 2.788 0.000 . . . . . . A 11 LYS HE2 . 36125 1
61 . 1 . 1 12 12 LYS H H 1 8.232 0.000 . . . . . . A 12 LYS H . 36125 1
62 . 1 . 1 12 12 LYS HA H 1 3.999 0.000 . . . . . . A 12 LYS HA . 36125 1
63 . 1 . 1 12 12 LYS HB2 H 1 1.598 0.000 . . . . . . A 12 LYS HB2 . 36125 1
64 . 1 . 1 12 12 LYS HG2 H 1 1.224 0.000 . . . . . . A 12 LYS HG2 . 36125 1
65 . 1 . 1 12 12 LYS HD2 H 1 1.498 0.000 . . . . . . A 12 LYS HD2 . 36125 1
66 . 1 . 1 12 12 LYS HE2 H 1 2.773 0.000 . . . . . . A 12 LYS HE2 . 36125 1
67 . 1 . 1 13 13 ASN H H 1 8.350 0.000 . . . . . . A 13 ASN H . 36125 1
68 . 1 . 1 13 13 ASN HA H 1 4.460 0.000 . . . . . . A 13 ASN HA . 36125 1
69 . 1 . 1 13 13 ASN HB2 H 1 2.636 0.000 . . . . . . A 13 ASN HB2 . 36125 1
70 . 1 . 1 13 13 ASN HB3 H 1 2.557 0.000 . . . . . . A 13 ASN HB3 . 36125 1
71 . 1 . 1 14 14 MET H H 1 8.197 0.000 . . . . . . A 14 MET H . 36125 1
72 . 1 . 1 14 14 MET HA H 1 4.249 0.000 . . . . . . A 14 MET HA . 36125 1
73 . 1 . 1 14 14 MET HB2 H 1 1.917 0.000 . . . . . . A 14 MET HB2 . 36125 1
74 . 1 . 1 14 14 MET HB3 H 1 1.758 0.000 . . . . . . A 14 MET HB3 . 36125 1
75 . 1 . 1 14 14 MET HG2 H 1 2.400 0.000 . . . . . . A 14 MET HG2 . 36125 1
76 . 1 . 1 14 14 MET HG3 H 1 2.303 0.000 . . . . . . A 14 MET HG3 . 36125 1
77 . 1 . 1 15 15 ALA H H 1 8.057 0.000 . . . . . . A 15 ALA H . 36125 1
78 . 1 . 1 15 15 ALA HA H 1 4.035 0.000 . . . . . . A 15 ALA HA . 36125 1
79 . 1 . 1 15 15 ALA HB1 H 1 1.122 0.000 . . . . . . A 15 ALA HB1 . 36125 1
80 . 1 . 1 15 15 ALA HB2 H 1 1.122 0.000 . . . . . . A 15 ALA HB2 . 36125 1
81 . 1 . 1 15 15 ALA HB3 H 1 1.122 0.000 . . . . . . A 15 ALA HB3 . 36125 1
82 . 1 . 1 16 16 HIS H H 1 8.263 0.000 . . . . . . A 16 HIS H . 36125 1
83 . 1 . 1 16 16 HIS HA H 1 4.477 0.000 . . . . . . A 16 HIS HA . 36125 1
84 . 1 . 1 16 16 HIS HB2 H 1 3.028 0.000 . . . . . . A 16 HIS HB2 . 36125 1
85 . 1 . 1 16 16 HIS HB3 H 1 2.931 0.000 . . . . . . A 16 HIS HB3 . 36125 1
86 . 1 . 1 17 17 ILE H H 1 7.994 0.000 . . . . . . A 17 ILE H . 36125 1
87 . 1 . 1 17 17 ILE HA H 1 3.963 0.000 . . . . . . A 17 ILE HA . 36125 1
88 . 1 . 1 17 17 ILE HB H 1 1.649 0.000 . . . . . . A 17 ILE HB . 36125 1
89 . 1 . 1 17 17 ILE HG12 H 1 1.133 0.000 . . . . . . A 17 ILE HG12 . 36125 1
90 . 1 . 1 17 17 ILE HG21 H 1 0.689 0.000 . . . . . . A 17 ILE HG21 . 36125 1
91 . 1 . 1 17 17 ILE HG22 H 1 0.689 0.000 . . . . . . A 17 ILE HG22 . 36125 1
92 . 1 . 1 17 17 ILE HG23 H 1 0.689 0.000 . . . . . . A 17 ILE HG23 . 36125 1
93 . 1 . 1 17 17 ILE HD11 H 1 0.610 0.000 . . . . . . A 17 ILE HD11 . 36125 1
94 . 1 . 1 17 17 ILE HD12 H 1 0.610 0.000 . . . . . . A 17 ILE HD12 . 36125 1
95 . 1 . 1 17 17 ILE HD13 H 1 0.610 0.000 . . . . . . A 17 ILE HD13 . 36125 1
96 . 1 . 1 18 18 ARG H H 1 8.286 0.000 . . . . . . A 18 ARG H . 36125 1
97 . 1 . 1 18 18 ARG HA H 1 4.221 0.000 . . . . . . A 18 ARG HA . 36125 1
98 . 1 . 1 18 18 ARG HB2 H 1 1.696 0.000 . . . . . . A 18 ARG HB2 . 36125 1
99 . 1 . 1 18 18 ARG HB3 H 1 1.579 0.000 . . . . . . A 18 ARG HB3 . 36125 1
100 . 1 . 1 18 18 ARG HG2 H 1 1.434 0.000 . . . . . . A 18 ARG HG2 . 36125 1
101 . 1 . 1 18 18 ARG HD2 H 1 3.007 0.000 . . . . . . A 18 ARG HD2 . 36125 1
102 . 1 . 1 19 19 CYS HB2 H 1 3.035 0.000 . . . . . . A 19 CYS HB2 . 36125 1
103 . 1 . 1 19 19 CYS HB3 H 1 2.786 0.000 . . . . . . A 19 CYS HB3 . 36125 1
stop_
save_