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 31091
_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' . . . 31091 1
2 '2D 1H-1H NOESY' . . . 31091 1
3 '2D 1H-1H COSY' . . . 31091 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 1 1 GLY HA2 H 1 3.768 . . 2 . . . . A 1 GLY HA2 . 31091 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.650 . . 2 . . . . A 1 GLY HA3 . 31091 1
3 . 1 . 1 2 2 GLU HA H 1 4.415 . . 1 . . . . A 2 GLU HA . 31091 1
4 . 1 . 1 2 2 GLU HB2 H 1 1.988 . . 2 . . . . A 2 GLU HB2 . 31091 1
5 . 1 . 1 2 2 GLU HB3 H 1 1.849 . . 2 . . . . A 2 GLU HB3 . 31091 1
6 . 1 . 1 2 2 GLU HG2 H 1 2.163 . . 1 . . . . A 2 GLU HG2 . 31091 1
7 . 1 . 1 2 2 GLU HG3 H 1 2.163 . . 1 . . . . A 2 GLU HG3 . 31091 1
8 . 1 . 1 3 3 TRP H H 1 8.378 . . 1 . . . . A 3 TRP H . 31091 1
9 . 1 . 1 3 3 TRP HA H 1 4.638 . . 1 . . . . A 3 TRP HA . 31091 1
10 . 1 . 1 3 3 TRP HB2 H 1 3.211 . . 2 . . . . A 3 TRP HB2 . 31091 1
11 . 1 . 1 3 3 TRP HB3 H 1 3.092 . . 2 . . . . A 3 TRP HB3 . 31091 1
12 . 1 . 1 3 3 TRP HD1 H 1 7.057 . . 1 . . . . A 3 TRP HD1 . 31091 1
13 . 1 . 1 3 3 TRP HE1 H 1 9.838 . . 1 . . . . A 3 TRP HE1 . 31091 1
14 . 1 . 1 3 3 TRP HE3 H 1 7.279 . . 1 . . . . A 3 TRP HE3 . 31091 1
15 . 1 . 1 3 3 TRP HZ2 H 1 7.307 . . 1 . . . . A 3 TRP HZ2 . 31091 1
16 . 1 . 1 3 3 TRP HZ3 H 1 7.005 . . 1 . . . . A 3 TRP HZ3 . 31091 1
17 . 1 . 1 3 3 TRP HH2 H 1 7.123 . . 1 . . . . A 3 TRP HH2 . 31091 1
18 . 1 . 1 4 4 ALA H H 1 8.291 . . 1 . . . . A 4 ALA H . 31091 1
19 . 1 . 1 4 4 ALA HA H 1 4.370 . . 1 . . . . A 4 ALA HA . 31091 1
20 . 1 . 1 4 4 ALA HB1 H 1 1.231 . . 1 . . . . A 4 ALA HB1 . 31091 1
21 . 1 . 1 4 4 ALA HB2 H 1 1.231 . . 1 . . . . A 4 ALA HB2 . 31091 1
22 . 1 . 1 4 4 ALA HB3 H 1 1.231 . . 1 . . . . A 4 ALA HB3 . 31091 1
23 . 1 . 1 5 5 TYR H H 1 8.022 . . 1 . . . . A 5 TYR H . 31091 1
24 . 1 . 1 5 5 TYR HA H 1 4.197 . . 1 . . . . A 5 TYR HA . 31091 1
25 . 1 . 1 5 5 TYR HB2 H 1 2.698 . . 2 . . . . A 5 TYR HB2 . 31091 1
26 . 1 . 1 5 5 TYR HB3 H 1 2.665 . . 2 . . . . A 5 TYR HB3 . 31091 1
27 . 1 . 1 5 5 TYR HD1 H 1 6.664 . . 1 . . . . A 5 TYR HD1 . 31091 1
28 . 1 . 1 5 5 TYR HD2 H 1 6.664 . . 1 . . . . A 5 TYR HD2 . 31091 1
29 . 1 . 1 5 5 TYR HE1 H 1 6.623 . . 1 . . . . A 5 TYR HE1 . 31091 1
30 . 1 . 1 5 5 TYR HE2 H 1 6.623 . . 1 . . . . A 5 TYR HE2 . 31091 1
31 . 1 . 1 6 6 ASN H H 1 8.027 . . 1 . . . . A 6 ASN H . 31091 1
32 . 1 . 1 6 6 ASN HA H 1 4.852 . . 1 . . . . A 6 ASN HA . 31091 1
33 . 1 . 1 6 6 ASN HB2 H 1 3.017 . . 2 . . . . A 6 ASN HB2 . 31091 1
34 . 1 . 1 6 6 ASN HB3 H 1 2.453 . . 2 . . . . A 6 ASN HB3 . 31091 1
35 . 1 . 1 6 6 ASN HD21 H 1 7.037 . . 2 . . . . A 6 ASN HD21 . 31091 1
36 . 1 . 1 6 6 ASN HD22 H 1 7.412 . . 2 . . . . A 6 ASN HD22 . 31091 1
37 . 1 . 1 7 7 PRO HA H 1 4.127 . . 1 . . . . A 7 PRO HA . 31091 1
38 . 1 . 1 7 7 PRO HB2 H 1 2.304 . . 2 . . . . A 7 PRO HB2 . 31091 1
39 . 1 . 1 7 7 PRO HB3 H 1 1.964 . . 2 . . . . A 7 PRO HB3 . 31091 1
40 . 1 . 1 7 7 PRO HG2 H 1 1.970 . . 1 . . . . A 7 PRO HG2 . 31091 1
41 . 1 . 1 7 7 PRO HG3 H 1 1.970 . . 1 . . . . A 7 PRO HG3 . 31091 1
42 . 1 . 1 7 7 PRO HD2 H 1 3.720 . . 2 . . . . A 7 PRO HD2 . 31091 1
43 . 1 . 1 7 7 PRO HD3 H 1 3.638 . . 2 . . . . A 7 PRO HD3 . 31091 1
44 . 1 . 1 8 8 ALA H H 1 7.975 . . 1 . . . . A 8 ALA H . 31091 1
45 . 1 . 1 8 8 ALA HA H 1 4.238 . . 1 . . . . A 8 ALA HA . 31091 1
46 . 1 . 1 8 8 ALA HB1 H 1 1.395 . . 1 . . . . A 8 ALA HB1 . 31091 1
47 . 1 . 1 8 8 ALA HB2 H 1 1.395 . . 1 . . . . A 8 ALA HB2 . 31091 1
48 . 1 . 1 8 8 ALA HB3 H 1 1.395 . . 1 . . . . A 8 ALA HB3 . 31091 1
49 . 1 . 1 9 9 THR H H 1 7.415 . . 1 . . . . A 9 THR H . 31091 1
50 . 1 . 1 9 9 THR HA H 1 4.305 . . 1 . . . . A 9 THR HA . 31091 1
51 . 1 . 1 9 9 THR HB H 1 4.219 . . 1 . . . . A 9 THR HB . 31091 1
52 . 1 . 1 9 9 THR HG21 H 1 1.116 . . 1 . . . . A 9 THR HG21 . 31091 1
53 . 1 . 1 9 9 THR HG22 H 1 1.116 . . 1 . . . . A 9 THR HG22 . 31091 1
54 . 1 . 1 9 9 THR HG23 H 1 1.116 . . 1 . . . . A 9 THR HG23 . 31091 1
55 . 1 . 1 10 10 GLY H H 1 8.237 . . 1 . . . . A 10 GLY H . 31091 1
56 . 1 . 1 10 10 GLY HA2 H 1 3.921 . . 2 . . . . A 10 GLY HA2 . 31091 1
57 . 1 . 1 10 10 GLY HA3 H 1 3.748 . . 2 . . . . A 10 GLY HA3 . 31091 1
58 . 1 . 1 11 11 LYS H H 1 7.562 . . 1 . . . . A 11 LYS H . 31091 1
59 . 1 . 1 11 11 LYS HA H 1 4.348 . . 1 . . . . A 11 LYS HA . 31091 1
60 . 1 . 1 11 11 LYS HB2 H 1 1.697 . . 2 . . . . A 11 LYS HB2 . 31091 1
61 . 1 . 1 11 11 LYS HB3 H 1 1.517 . . 2 . . . . A 11 LYS HB3 . 31091 1
62 . 1 . 1 11 11 LYS HG2 H 1 1.234 . . 2 . . . . A 11 LYS HG2 . 31091 1
63 . 1 . 1 11 11 LYS HG3 H 1 1.190 . . 2 . . . . A 11 LYS HG3 . 31091 1
64 . 1 . 1 11 11 LYS HD2 H 1 1.536 . . 1 . . . . A 11 LYS HD2 . 31091 1
65 . 1 . 1 11 11 LYS HD3 H 1 1.536 . . 1 . . . . A 11 LYS HD3 . 31091 1
66 . 1 . 1 11 11 LYS HE2 H 1 2.881 . . 1 . . . . A 11 LYS HE2 . 31091 1
67 . 1 . 1 11 11 LYS HE3 H 1 2.881 . . 1 . . . . A 11 LYS HE3 . 31091 1
68 . 1 . 1 12 12 PHE H H 1 8.193 . . 1 . . . . A 12 PHE H . 31091 1
69 . 1 . 1 12 12 PHE HA H 1 4.710 . . 1 . . . . A 12 PHE HA . 31091 1
70 . 1 . 1 12 12 PHE HB2 H 1 2.560 . . 2 . . . . A 12 PHE HB2 . 31091 1
71 . 1 . 1 12 12 PHE HB3 H 1 2.533 . . 2 . . . . A 12 PHE HB3 . 31091 1
72 . 1 . 1 12 12 PHE HD1 H 1 7.076 . . 1 . . . . A 12 PHE HD1 . 31091 1
73 . 1 . 1 12 12 PHE HD2 H 1 7.076 . . 1 . . . . A 12 PHE HD2 . 31091 1
74 . 1 . 1 12 12 PHE HE1 H 1 7.301 . . 1 . . . . A 12 PHE HE1 . 31091 1
75 . 1 . 1 12 12 PHE HE2 H 1 7.301 . . 1 . . . . A 12 PHE HE2 . 31091 1
76 . 1 . 1 12 12 PHE HZ H 1 7.225 . . 1 . . . . A 12 PHE HZ . 31091 1
77 . 1 . 1 13 13 X6E H1 H 1 8.069 . . 1 . . . . A 13 X6E H1 . 31091 1
78 . 1 . 1 13 13 X6E HB11 H 1 1.612 . . 2 . . . . A 13 X6E HB11 . 31091 1
79 . 1 . 1 13 13 X6E HB12 H 1 1.925 . . 2 . . . . A 13 X6E HB12 . 31091 1
80 . 1 . 1 13 13 X6E HB21 H 1 1.809 . . 2 . . . . A 13 X6E HB21 . 31091 1
81 . 1 . 1 13 13 X6E HB22 H 1 1.882 . . 2 . . . . A 13 X6E HB22 . 31091 1
82 . 1 . 1 13 13 X6E HD11 H 1 0.700 . . 1 . . . . A 13 X6E HD11 . 31091 1
83 . 1 . 1 13 13 X6E HG11 H 1 0.514 . . 2 . . . . A 13 X6E HG11 . 31091 1
84 . 1 . 1 13 13 X6E HG12 H 1 0.699 . . 2 . . . . A 13 X6E HG12 . 31091 1
85 . 1 . 1 13 13 X6E HG21 H 1 0.614 . . 1 . . . . A 13 X6E HG21 . 31091 1
86 . 1 . 1 14 14 TRP H H 1 7.590 . . 1 . . . . A 14 TRP H . 31091 1
87 . 1 . 1 14 14 TRP HA H 1 4.915 . . 1 . . . . A 14 TRP HA . 31091 1
88 . 1 . 1 14 14 TRP HB2 H 1 3.280 . . 2 . . . . A 14 TRP HB2 . 31091 1
89 . 1 . 1 14 14 TRP HB3 H 1 3.179 . . 2 . . . . A 14 TRP HB3 . 31091 1
90 . 1 . 1 14 14 TRP HD1 H 1 7.190 . . 1 . . . . A 14 TRP HD1 . 31091 1
91 . 1 . 1 14 14 TRP HE1 H 1 10.184 . . 1 . . . . A 14 TRP HE1 . 31091 1
92 . 1 . 1 14 14 TRP HE3 H 1 7.488 . . 1 . . . . A 14 TRP HE3 . 31091 1
93 . 1 . 1 14 14 TRP HZ2 H 1 7.380 . . 1 . . . . A 14 TRP HZ2 . 31091 1
94 . 1 . 1 14 14 TRP HZ3 H 1 7.077 . . 1 . . . . A 14 TRP HZ3 . 31091 1
95 . 1 . 1 14 14 TRP HH2 H 1 7.155 . . 1 . . . . A 14 TRP HH2 . 31091 1
96 . 1 . 1 15 15 THR H H 1 8.199 . . 1 . . . . A 15 THR H . 31091 1
97 . 1 . 1 15 15 THR HA H 1 4.322 . . 1 . . . . A 15 THR HA . 31091 1
98 . 1 . 1 15 15 THR HB H 1 4.189 . . 1 . . . . A 15 THR HB . 31091 1
99 . 1 . 1 15 15 THR HG21 H 1 1.104 . . 1 . . . . A 15 THR HG21 . 31091 1
100 . 1 . 1 15 15 THR HG22 H 1 1.104 . . 1 . . . . A 15 THR HG22 . 31091 1
101 . 1 . 1 15 15 THR HG23 H 1 1.104 . . 1 . . . . A 15 THR HG23 . 31091 1
102 . 1 . 1 16 16 GLU H H 1 8.166 . . 1 . . . . A 16 GLU H . 31091 1
103 . 1 . 1 16 16 GLU HA H 1 4.223 . . 1 . . . . A 16 GLU HA . 31091 1
104 . 1 . 1 16 16 GLU HB2 H 1 2.071 . . 2 . . . . A 16 GLU HB2 . 31091 1
105 . 1 . 1 16 16 GLU HB3 H 1 1.914 . . 2 . . . . A 16 GLU HB3 . 31091 1
106 . 1 . 1 16 16 GLU HG2 H 1 2.252 . . 1 . . . . A 16 GLU HG2 . 31091 1
107 . 1 . 1 16 16 GLU HG3 H 1 2.252 . . 1 . . . . A 16 GLU HG3 . 31091 1
108 . 1 . 1 17 17 NH2 HN1 H 1 7.112 . . 2 . . . . A 17 NH2 HN1 . 31091 1
109 . 1 . 1 17 17 NH2 HN2 H 1 7.526 . . 2 . . . . A 17 NH2 HN2 . 31091 1
stop_
save_