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 36126
_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 36126 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36126 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 PHE H H 1 8.412 0.000 . . . . . . A 2 PHE H . 36126 1
2 . 1 . 1 2 2 PHE HA H 1 4.391 0.000 . . . . . . A 2 PHE HA . 36126 1
3 . 1 . 1 2 2 PHE HB2 H 1 3.025 0.000 . . . . . . A 2 PHE HB2 . 36126 1
4 . 1 . 1 3 3 LEU H H 1 8.208 0.000 . . . . . . A 3 LEU H . 36126 1
5 . 1 . 1 3 3 LEU HA H 1 4.028 0.000 . . . . . . A 3 LEU HA . 36126 1
6 . 1 . 1 3 3 LEU HB2 H 1 1.315 0.000 . . . . . . A 3 LEU HB2 . 36126 1
7 . 1 . 1 3 3 LEU HB3 H 1 2.930 0.000 . . . . . . A 3 LEU HB3 . 36126 1
8 . 1 . 1 3 3 LEU HD11 H 1 0.691 0.000 . . . . . . A 3 LEU HD11 . 36126 1
9 . 1 . 1 3 3 LEU HD12 H 1 0.691 0.000 . . . . . . A 3 LEU HD12 . 36126 1
10 . 1 . 1 3 3 LEU HD13 H 1 0.691 0.000 . . . . . . A 3 LEU HD13 . 36126 1
11 . 1 . 1 3 3 LEU HD21 H 1 0.616 0.000 . . . . . . A 3 LEU HD21 . 36126 1
12 . 1 . 1 3 3 LEU HD22 H 1 0.616 0.000 . . . . . . A 3 LEU HD22 . 36126 1
13 . 1 . 1 3 3 LEU HD23 H 1 0.616 0.000 . . . . . . A 3 LEU HD23 . 36126 1
14 . 1 . 1 5 5 LYS H H 1 8.249 0.000 . . . . . . A 5 LYS H . 36126 1
15 . 1 . 1 5 5 LYS HA H 1 3.980 0.000 . . . . . . A 5 LYS HA . 36126 1
16 . 1 . 1 5 5 LYS HB2 H 1 1.509 0.000 . . . . . . A 5 LYS HB2 . 36126 1
17 . 1 . 1 5 5 LYS HG2 H 1 1.214 0.000 . . . . . . A 5 LYS HG2 . 36126 1
18 . 1 . 1 5 5 LYS HG3 H 1 1.123 0.000 . . . . . . A 5 LYS HG3 . 36126 1
19 . 1 . 1 5 5 LYS HE2 H 1 2.757 0.000 . . . . . . A 5 LYS HE2 . 36126 1
20 . 1 . 1 6 6 LEU H H 1 8.053 0.000 . . . . . . A 6 LEU H . 36126 1
21 . 1 . 1 6 6 LEU HA H 1 4.083 0.000 . . . . . . A 6 LEU HA . 36126 1
22 . 1 . 1 6 6 LEU HB2 H 1 1.341 0.000 . . . . . . A 6 LEU HB2 . 36126 1
23 . 1 . 1 6 6 LEU HB3 H 1 1.242 0.000 . . . . . . A 6 LEU HB3 . 36126 1
24 . 1 . 1 6 6 LEU HD11 H 1 0.690 0.000 . . . . . . A 6 LEU HD11 . 36126 1
25 . 1 . 1 6 6 LEU HD12 H 1 0.690 0.000 . . . . . . A 6 LEU HD12 . 36126 1
26 . 1 . 1 6 6 LEU HD13 H 1 0.690 0.000 . . . . . . A 6 LEU HD13 . 36126 1
27 . 1 . 1 6 6 LEU HD21 H 1 0.622 0.000 . . . . . . A 6 LEU HD21 . 36126 1
28 . 1 . 1 6 6 LEU HD22 H 1 0.622 0.000 . . . . . . A 6 LEU HD22 . 36126 1
29 . 1 . 1 6 6 LEU HD23 H 1 0.622 0.000 . . . . . . A 6 LEU HD23 . 36126 1
30 . 1 . 1 7 7 PHE H H 1 8.145 0.000 . . . . . . A 7 PHE H . 36126 1
31 . 1 . 1 7 7 PHE HA H 1 4.364 0.000 . . . . . . A 7 PHE HA . 36126 1
32 . 1 . 1 7 7 PHE HB2 H 1 2.932 0.000 . . . . . . A 7 PHE HB2 . 36126 1
33 . 1 . 1 7 7 PHE HB3 H 1 2.788 0.000 . . . . . . A 7 PHE HB3 . 36126 1
34 . 1 . 1 8 8 ALA H H 1 8.023 0.000 . . . . . . A 8 ALA H . 36126 1
35 . 1 . 1 8 8 ALA HA H 1 4.067 0.000 . . . . . . A 8 ALA HA . 36126 1
36 . 1 . 1 8 8 ALA HB1 H 1 1.135 0.000 . . . . . . A 8 ALA HB1 . 36126 1
37 . 1 . 1 8 8 ALA HB2 H 1 1.135 0.000 . . . . . . A 8 ALA HB2 . 36126 1
38 . 1 . 1 8 8 ALA HB3 H 1 1.135 0.000 . . . . . . A 8 ALA HB3 . 36126 1
39 . 1 . 1 9 9 LYS H H 1 8.162 0.000 . . . . . . A 9 LYS H . 36126 1
40 . 1 . 1 9 9 LYS HA H 1 4.060 0.000 . . . . . . A 9 LYS HA . 36126 1
41 . 1 . 1 9 9 LYS HB2 H 1 1.584 0.000 . . . . . . A 9 LYS HB2 . 36126 1
42 . 1 . 1 9 9 LYS HB3 H 1 1.493 0.000 . . . . . . A 9 LYS HB3 . 36126 1
43 . 1 . 1 9 9 LYS HG2 H 1 1.264 0.000 . . . . . . A 9 LYS HG2 . 36126 1
44 . 1 . 1 9 9 LYS HG3 H 1 1.196 0.000 . . . . . . A 9 LYS HG3 . 36126 1
45 . 1 . 1 10 10 ILE H H 1 8.245 0.039 . . . . . . A 10 ILE H . 36126 1
46 . 1 . 1 10 10 ILE HA H 1 4.153 0.000 . . . . . . A 10 ILE HA . 36126 1
47 . 1 . 1 10 10 ILE HB H 1 2.818 1.155 . . . . . . A 10 ILE HB . 36126 1
48 . 1 . 1 10 10 ILE HG21 H 1 0.843 0.148 . . . . . . A 10 ILE HG21 . 36126 1
49 . 1 . 1 10 10 ILE HG22 H 1 0.843 0.148 . . . . . . A 10 ILE HG22 . 36126 1
50 . 1 . 1 10 10 ILE HG23 H 1 0.843 0.148 . . . . . . A 10 ILE HG23 . 36126 1
51 . 1 . 1 10 10 ILE HD11 H 1 0.617 0.000 . . . . . . A 10 ILE HD11 . 36126 1
52 . 1 . 1 10 10 ILE HD12 H 1 0.617 0.000 . . . . . . A 10 ILE HD12 . 36126 1
53 . 1 . 1 10 10 ILE HD13 H 1 0.617 0.000 . . . . . . A 10 ILE HD13 . 36126 1
54 . 1 . 1 11 11 THR H H 1 8.199 0.000 . . . . . . A 11 THR H . 36126 1
55 . 1 . 1 11 11 THR HA H 1 4.395 0.000 . . . . . . A 11 THR HA . 36126 1
56 . 1 . 1 11 11 THR HG21 H 1 1.314 0.000 . . . . . . A 11 THR HG21 . 36126 1
57 . 1 . 1 11 11 THR HG22 H 1 1.314 0.000 . . . . . . A 11 THR HG22 . 36126 1
58 . 1 . 1 11 11 THR HG23 H 1 1.314 0.000 . . . . . . A 11 THR HG23 . 36126 1
59 . 1 . 1 12 12 LYS H H 1 8.320 0.000 . . . . . . A 12 LYS H . 36126 1
60 . 1 . 1 12 12 LYS HA H 1 4.090 0.000 . . . . . . A 12 LYS HA . 36126 1
61 . 1 . 1 12 12 LYS HB2 H 1 1.600 0.000 . . . . . . A 12 LYS HB2 . 36126 1
62 . 1 . 1 12 12 LYS HB3 H 1 1.485 0.000 . . . . . . A 12 LYS HB3 . 36126 1
63 . 1 . 1 12 12 LYS HG2 H 1 1.249 0.000 . . . . . . A 12 LYS HG2 . 36126 1
64 . 1 . 1 12 12 LYS HG3 H 1 1.188 0.000 . . . . . . A 12 LYS HG3 . 36126 1
65 . 1 . 1 12 12 LYS HE2 H 1 2.780 0.000 . . . . . . A 12 LYS HE2 . 36126 1
66 . 1 . 1 13 13 LYS H H 1 8.304 0.001 . . . . . . A 13 LYS H . 36126 1
67 . 1 . 1 13 13 LYS HA H 1 4.054 0.000 . . . . . . A 13 LYS HA . 36126 1
68 . 1 . 1 13 13 LYS HB2 H 1 1.557 0.000 . . . . . . A 13 LYS HB2 . 36126 1
69 . 1 . 1 13 13 LYS HB3 H 1 1.481 0.000 . . . . . . A 13 LYS HB3 . 36126 1
70 . 1 . 1 13 13 LYS HG2 H 1 1.233 0.000 . . . . . . A 13 LYS HG2 . 36126 1
71 . 1 . 1 13 13 LYS HG3 H 1 1.194 0.000 . . . . . . A 13 LYS HG3 . 36126 1
72 . 1 . 1 13 13 LYS HE2 H 1 2.788 0.000 . . . . . . A 13 LYS HE2 . 36126 1
73 . 1 . 1 14 14 ASN H H 1 8.412 0.000 . . . . . . A 14 ASN H . 36126 1
74 . 1 . 1 14 14 ASN HA H 1 4.456 0.000 . . . . . . A 14 ASN HA . 36126 1
75 . 1 . 1 14 14 ASN HB2 H 1 2.643 0.000 . . . . . . A 14 ASN HB2 . 36126 1
76 . 1 . 1 14 14 ASN HB3 H 1 2.574 0.000 . . . . . . A 14 ASN HB3 . 36126 1
77 . 1 . 1 15 15 MET H H 1 8.261 0.000 . . . . . . A 15 MET H . 36126 1
78 . 1 . 1 15 15 MET HA H 1 4.269 0.000 . . . . . . A 15 MET HA . 36126 1
79 . 1 . 1 15 15 MET HB2 H 1 1.912 0.000 . . . . . . A 15 MET HB2 . 36126 1
80 . 1 . 1 15 15 MET HB3 H 1 1.760 0.000 . . . . . . A 15 MET HB3 . 36126 1
81 . 1 . 1 15 15 MET HG2 H 1 2.407 0.000 . . . . . . A 15 MET HG2 . 36126 1
82 . 1 . 1 15 15 MET HG3 H 1 2.285 0.000 . . . . . . A 15 MET HG3 . 36126 1
83 . 1 . 1 16 16 ALA H H 1 8.114 0.000 . . . . . . A 16 ALA H . 36126 1
84 . 1 . 1 16 16 ALA HA H 1 4.033 0.000 . . . . . . A 16 ALA HA . 36126 1
85 . 1 . 1 16 16 ALA HB1 H 1 1.138 0.000 . . . . . . A 16 ALA HB1 . 36126 1
86 . 1 . 1 16 16 ALA HB2 H 1 1.138 0.000 . . . . . . A 16 ALA HB2 . 36126 1
87 . 1 . 1 16 16 ALA HB3 H 1 1.138 0.000 . . . . . . A 16 ALA HB3 . 36126 1
88 . 1 . 1 17 17 HIS H H 1 8.336 0.000 . . . . . . A 17 HIS H . 36126 1
89 . 1 . 1 17 17 HIS HA H 1 4.494 0.000 . . . . . . A 17 HIS HA . 36126 1
90 . 1 . 1 17 17 HIS HB2 H 1 3.031 0.000 . . . . . . A 17 HIS HB2 . 36126 1
91 . 1 . 1 17 17 HIS HB3 H 1 2.940 0.000 . . . . . . A 17 HIS HB3 . 36126 1
92 . 1 . 1 18 18 ILE H H 1 8.118 0.000 . . . . . . A 18 ILE H . 36126 1
93 . 1 . 1 18 18 ILE HA H 1 3.951 0.000 . . . . . . A 18 ILE HA . 36126 1
94 . 1 . 1 18 18 ILE HB H 1 1.660 0.000 . . . . . . A 18 ILE HB . 36126 1
95 . 1 . 1 18 18 ILE HG12 H 1 1.253 0.000 . . . . . . A 18 ILE HG12 . 36126 1
96 . 1 . 1 18 18 ILE HG13 H 1 0.969 0.000 . . . . . . A 18 ILE HG13 . 36126 1
97 . 1 . 1 18 18 ILE HG21 H 1 0.714 0.000 . . . . . . A 18 ILE HG21 . 36126 1
98 . 1 . 1 18 18 ILE HG22 H 1 0.714 0.000 . . . . . . A 18 ILE HG22 . 36126 1
99 . 1 . 1 18 18 ILE HG23 H 1 0.714 0.000 . . . . . . A 18 ILE HG23 . 36126 1
100 . 1 . 1 18 18 ILE HD11 H 1 0.636 0.000 . . . . . . A 18 ILE HD11 . 36126 1
101 . 1 . 1 18 18 ILE HD12 H 1 0.636 0.000 . . . . . . A 18 ILE HD12 . 36126 1
102 . 1 . 1 18 18 ILE HD13 H 1 0.636 0.000 . . . . . . A 18 ILE HD13 . 36126 1
103 . 1 . 1 19 19 ARG H H 1 7.925 0.000 . . . . . . A 19 ARG H . 36126 1
104 . 1 . 1 19 19 ARG HA H 1 3.957 0.000 . . . . . . A 19 ARG HA . 36126 1
105 . 1 . 1 19 19 ARG HB2 H 1 1.630 0.000 . . . . . . A 19 ARG HB2 . 36126 1
106 . 1 . 1 19 19 ARG HB3 H 1 1.516 0.000 . . . . . . A 19 ARG HB3 . 36126 1
107 . 1 . 1 19 19 ARG HG2 H 1 1.386 0.000 . . . . . . A 19 ARG HG2 . 36126 1
108 . 1 . 1 19 19 ARG HD2 H 1 2.986 0.000 . . . . . . A 19 ARG HD2 . 36126 1
stop_
save_