Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 18661
_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_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $methanol
_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-15N HSQC' . . . 18661 1
2 '2D 1H-1H TOCSY' . . . 18661 1
3 '2D DQF-COSY' . . . 18661 1
4 '2D 1H-1H NOESY' . . . 18661 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 GLY HA2 H 1 4.414 0.000 . 1 . . . . A 1 GLY HA2 . 18661 1
2 . 1 1 1 1 GLY HA3 H 1 3.378 0.000 . 1 . . . . A 1 GLY HA3 . 18661 1
3 . 1 1 1 1 GLY H H 1 7.776 0.000 . 1 . . . . A 1 GLY H1 . 18661 1
4 . 1 1 2 2 ALA H H 1 8.503 0.000 . 1 . . . . A 2 ALA H . 18661 1
5 . 1 1 2 2 ALA HA H 1 4.322 0.000 . 1 . . . . A 2 ALA HA . 18661 1
6 . 1 1 2 2 ALA HB1 H 1 1.589 0.000 . 1 . . . . A 2 ALA HB1 . 18661 1
7 . 1 1 2 2 ALA HB2 H 1 1.589 0.000 . 1 . . . . A 2 ALA HB2 . 18661 1
8 . 1 1 2 2 ALA HB3 H 1 1.589 0.000 . 1 . . . . A 2 ALA HB3 . 18661 1
9 . 1 1 3 3 PHE H H 1 7.978 0.001 . 1 . . . . A 3 PHE H . 18661 1
10 . 1 1 3 3 PHE HA H 1 4.924 0.000 . 1 . . . . A 3 PHE HA . 18661 1
11 . 1 1 3 3 PHE HB2 H 1 2.799 0.000 . 1 . . . . A 3 PHE HB2 . 18661 1
12 . 1 1 3 3 PHE HB3 H 1 3.417 0.000 . 1 . . . . A 3 PHE HB3 . 18661 1
13 . 1 1 4 4 VAL H H 1 7.035 0.003 . 1 . . . . A 4 VAL H . 18661 1
14 . 1 1 4 4 VAL HA H 1 4.366 0.000 . 1 . . . . A 4 VAL HA . 18661 1
15 . 1 1 4 4 VAL HB H 1 1.905 0.000 . 1 . . . . A 4 VAL HB . 18661 1
16 . 1 1 4 4 VAL HG11 H 1 0.937 0.000 . 1 . . . . A 4 VAL HG11 . 18661 1
17 . 1 1 4 4 VAL HG12 H 1 0.937 0.000 . 1 . . . . A 4 VAL HG12 . 18661 1
18 . 1 1 4 4 VAL HG13 H 1 0.937 0.000 . 1 . . . . A 4 VAL HG13 . 18661 1
19 . 1 1 4 4 VAL HG21 H 1 0.937 0.000 . 1 . . . . A 4 VAL HG21 . 18661 1
20 . 1 1 4 4 VAL HG22 H 1 0.937 0.000 . 1 . . . . A 4 VAL HG22 . 18661 1
21 . 1 1 4 4 VAL HG23 H 1 0.937 0.000 . 1 . . . . A 4 VAL HG23 . 18661 1
22 . 1 1 5 5 GLY H H 1 8.466 0.001 . 1 . . . . A 5 GLY H . 18661 1
23 . 1 1 5 5 GLY HA2 H 1 3.396 0.000 . 1 . . . . A 5 GLY HA2 . 18661 1
24 . 1 1 5 5 GLY HA3 H 1 4.335 0.000 . 1 . . . . A 5 GLY HA3 . 18661 1
25 . 1 1 6 6 GLN H H 1 8.162 0.001 . 1 . . . . A 6 GLN H . 18661 1
26 . 1 1 6 6 GLN HA H 1 4.649 0.000 . 1 . . . . A 6 GLN HA . 18661 1
27 . 1 1 6 6 GLN HB2 H 1 2.076 0.000 . 1 . . . . A 6 GLN HB2 . 18661 1
28 . 1 1 6 6 GLN HB3 H 1 2.307 0.000 . 1 . . . . A 6 GLN HB3 . 18661 1
29 . 1 1 6 6 GLN HG2 H 1 2.136 0.000 . 1 . . . . A 6 GLN HG2 . 18661 1
30 . 1 1 6 6 GLN HG3 H 1 2.538 0.000 . 1 . . . . A 6 GLN HG3 . 18661 1
31 . 1 1 6 6 GLN HE21 H 1 7.063 0.000 . 1 . . . . A 6 GLN HE21 . 18661 1
32 . 1 1 6 6 GLN HE22 H 1 7.674 0.000 . 1 . . . . A 6 GLN HE22 . 18661 1
33 . 1 1 7 7 PRO HA H 1 4.802 0.001 . 1 . . . . A 7 PRO HA . 18661 1
34 . 1 1 7 7 PRO HB2 H 1 1.755 0.000 . 1 . . . . A 7 PRO HB2 . 18661 1
35 . 1 1 7 7 PRO HB3 H 1 2.563 0.000 . 1 . . . . A 7 PRO HB3 . 18661 1
36 . 1 1 7 7 PRO HG2 H 1 1.879 0.000 . 1 . . . . A 7 PRO HG2 . 18661 1
37 . 1 1 7 7 PRO HG3 H 1 2.140 0.000 . 1 . . . . A 7 PRO HG3 . 18661 1
38 . 1 1 7 7 PRO HD2 H 1 3.593 0.000 . 1 . . . . A 7 PRO HD2 . 18661 1
39 . 1 1 7 7 PRO HD3 H 1 3.849 0.000 . 1 . . . . A 7 PRO HD3 . 18661 1
40 . 1 1 8 8 GLU H H 1 7.946 0.001 . 1 . . . . A 8 GLU H . 18661 1
41 . 1 1 8 8 GLU HA H 1 4.029 0.000 . 1 . . . . A 8 GLU HA . 18661 1
42 . 1 1 8 8 GLU HB2 H 1 1.683 0.000 . 1 . . . . A 8 GLU HB2 . 18661 1
43 . 1 1 8 8 GLU HB3 H 1 2.697 0.000 . 1 . . . . A 8 GLU HB3 . 18661 1
44 . 1 1 8 8 GLU HG2 H 1 2.020 0.000 . 1 . . . . A 8 GLU HG2 . 18661 1
45 . 1 1 8 8 GLU HG3 H 1 2.135 0.000 . 1 . . . . A 8 GLU HG3 . 18661 1
46 . 1 1 9 9 ALA H H 1 8.445 0.001 . 1 . . . . A 9 ALA H . 18661 1
47 . 1 1 9 9 ALA HA H 1 3.939 0.000 . 1 . . . . A 9 ALA HA . 18661 1
48 . 1 1 9 9 ALA HB1 H 1 1.374 0.000 . 1 . . . . A 9 ALA HB1 . 18661 1
49 . 1 1 9 9 ALA HB2 H 1 1.374 0.000 . 1 . . . . A 9 ALA HB2 . 18661 1
50 . 1 1 9 9 ALA HB3 H 1 1.374 0.000 . 1 . . . . A 9 ALA HB3 . 18661 1
51 . 1 1 10 10 VAL H H 1 7.434 0.002 . 1 . . . . A 10 VAL H . 18661 1
52 . 1 1 10 10 VAL HA H 1 4.099 0.000 . 1 . . . . A 10 VAL HA . 18661 1
53 . 1 1 10 10 VAL HB H 1 2.350 0.000 . 1 . . . . A 10 VAL HB . 18661 1
54 . 1 1 10 10 VAL HG11 H 1 0.937 0.000 . 1 . . . . A 10 VAL HG11 . 18661 1
55 . 1 1 10 10 VAL HG12 H 1 0.937 0.000 . 1 . . . . A 10 VAL HG12 . 18661 1
56 . 1 1 10 10 VAL HG13 H 1 0.937 0.000 . 1 . . . . A 10 VAL HG13 . 18661 1
57 . 1 1 10 10 VAL HG21 H 1 0.875 0.000 . 1 . . . . A 10 VAL HG21 . 18661 1
58 . 1 1 10 10 VAL HG22 H 1 0.875 0.000 . 1 . . . . A 10 VAL HG22 . 18661 1
59 . 1 1 10 10 VAL HG23 H 1 0.875 0.000 . 1 . . . . A 10 VAL HG23 . 18661 1
60 . 1 1 11 11 ASN H H 1 6.987 0.001 . 1 . . . . A 11 ASN H . 18661 1
61 . 1 1 11 11 ASN HA H 1 4.970 0.000 . 1 . . . . A 11 ASN HA . 18661 1
62 . 1 1 11 11 ASN HB2 H 1 2.592 0.000 . 1 . . . . A 11 ASN HB2 . 18661 1
63 . 1 1 11 11 ASN HB3 H 1 3.044 0.000 . 1 . . . . A 11 ASN HB3 . 18661 1
64 . 1 1 11 11 ASN HD21 H 1 6.972 0.000 . 1 . . . . A 11 ASN HD21 . 18661 1
65 . 1 1 11 11 ASN HD22 H 1 7.566 0.000 . 1 . . . . A 11 ASN HD22 . 18661 1
66 . 1 1 12 12 PRO HA H 1 4.671 0.002 . 1 . . . . A 12 PRO HA . 18661 1
67 . 1 1 12 12 PRO HB2 H 1 1.932 0.000 . 1 . . . . A 12 PRO HB2 . 18661 1
68 . 1 1 12 12 PRO HB3 H 1 2.316 0.000 . 1 . . . . A 12 PRO HB3 . 18661 1
69 . 1 1 12 12 PRO HG2 H 1 1.996 0.000 . 1 . . . . A 12 PRO HG2 . 18661 1
70 . 1 1 12 12 PRO HG3 H 1 1.996 0.000 . 1 . . . . A 12 PRO HG3 . 18661 1
71 . 1 1 12 12 PRO HD2 H 1 3.590 0.000 . 1 . . . . A 12 PRO HD2 . 18661 1
72 . 1 1 12 12 PRO HD3 H 1 3.821 0.000 . 1 . . . . A 12 PRO HD3 . 18661 1
73 . 1 1 13 13 LEU H H 1 7.517 0.001 . 1 . . . . A 13 LEU H . 18661 1
74 . 1 1 13 13 LEU HA H 1 4.346 0.000 . 1 . . . . A 13 LEU HA . 18661 1
75 . 1 1 13 13 LEU HB2 H 1 1.616 0.000 . 1 . . . . A 13 LEU HB2 . 18661 1
76 . 1 1 13 13 LEU HB3 H 1 1.833 0.000 . 1 . . . . A 13 LEU HB3 . 18661 1
77 . 1 1 13 13 LEU HG H 1 1.685 0.000 . 1 . . . . A 13 LEU HG . 18661 1
78 . 1 1 13 13 LEU HD11 H 1 0.976 0.000 . 1 . . . . A 13 LEU HD11 . 18661 1
79 . 1 1 13 13 LEU HD12 H 1 0.976 0.000 . 1 . . . . A 13 LEU HD12 . 18661 1
80 . 1 1 13 13 LEU HD13 H 1 0.976 0.000 . 1 . . . . A 13 LEU HD13 . 18661 1
81 . 1 1 13 13 LEU HD21 H 1 0.895 0.000 . 1 . . . . A 13 LEU HD21 . 18661 1
82 . 1 1 13 13 LEU HD22 H 1 0.895 0.000 . 1 . . . . A 13 LEU HD22 . 18661 1
83 . 1 1 13 13 LEU HD23 H 1 0.895 0.000 . 1 . . . . A 13 LEU HD23 . 18661 1
84 . 1 1 14 14 GLY H H 1 8.189 0.003 . 1 . . . . A 14 GLY H . 18661 1
85 . 1 1 14 14 GLY HA2 H 1 4.315 0.000 . 1 . . . . A 14 GLY HA2 . 18661 1
86 . 1 1 14 14 GLY HA3 H 1 3.808 0.000 . 1 . . . . A 14 GLY HA3 . 18661 1
87 . 1 1 15 15 ARG H H 1 7.856 0.002 . 1 . . . . A 15 ARG H . 18661 1
88 . 1 1 15 15 ARG HA H 1 5.063 0.002 . 1 . . . . A 15 ARG HA . 18661 1
89 . 1 1 15 15 ARG HB2 H 1 0.635 0.000 . 1 . . . . A 15 ARG HB2 . 18661 1
90 . 1 1 15 15 ARG HB3 H 1 0.964 0.000 . 1 . . . . A 15 ARG HB3 . 18661 1
91 . 1 1 15 15 ARG HG2 H 1 1.036 0.000 . 1 . . . . A 15 ARG HG2 . 18661 1
92 . 1 1 15 15 ARG HG3 H 1 1.242 0.001 . 1 . . . . A 15 ARG HG3 . 18661 1
93 . 1 1 15 15 ARG HD2 H 1 2.885 0.000 . 1 . . . . A 15 ARG HD2 . 18661 1
94 . 1 1 15 15 ARG HD3 H 1 3.186 0.000 . 1 . . . . A 15 ARG HD3 . 18661 1
95 . 1 1 15 15 ARG HE H 1 7.248 0.001 . 1 . . . . A 15 ARG HE . 18661 1
96 . 1 1 16 16 GLU H H 1 9.323 0.000 . 1 . . . . A 16 GLU H . 18661 1
97 . 1 1 16 16 GLU HA H 1 4.881 0.000 . 1 . . . . A 16 GLU HA . 18661 1
98 . 1 1 16 16 GLU HB2 H 1 2.006 0.000 . 1 . . . . A 16 GLU HB2 . 18661 1
99 . 1 1 16 16 GLU HB3 H 1 2.227 0.000 . 1 . . . . A 16 GLU HB3 . 18661 1
100 . 1 1 16 16 GLU HG2 H 1 2.367 0.000 . 1 . . . . A 16 GLU HG2 . 18661 1
101 . 1 1 16 16 GLU HG3 H 1 2.367 0.000 . 1 . . . . A 16 GLU HG3 . 18661 1
102 . 1 1 17 17 ILE H H 1 9.058 0.001 . 1 . . . . A 17 ILE H . 18661 1
103 . 1 1 17 17 ILE HA H 1 4.177 0.000 . 1 . . . . A 17 ILE HA . 18661 1
104 . 1 1 17 17 ILE HB H 1 1.830 0.000 . 1 . . . . A 17 ILE HB . 18661 1
105 . 1 1 17 17 ILE HG12 H 1 1.082 0.000 . 1 . . . . A 17 ILE HG12 . 18661 1
106 . 1 1 17 17 ILE HG13 H 1 1.757 0.000 . 1 . . . . A 17 ILE HG13 . 18661 1
107 . 1 1 17 17 ILE HG21 H 1 0.970 0.000 . 1 . . . . A 17 ILE HG21 . 18661 1
108 . 1 1 17 17 ILE HG22 H 1 0.970 0.000 . 1 . . . . A 17 ILE HG22 . 18661 1
109 . 1 1 17 17 ILE HG23 H 1 0.970 0.000 . 1 . . . . A 17 ILE HG23 . 18661 1
110 . 1 1 17 17 ILE HD11 H 1 0.912 0.000 . 1 . . . . A 17 ILE HD11 . 18661 1
111 . 1 1 17 17 ILE HD12 H 1 0.912 0.000 . 1 . . . . A 17 ILE HD12 . 18661 1
112 . 1 1 17 17 ILE HD13 H 1 0.912 0.000 . 1 . . . . A 17 ILE HD13 . 18661 1
113 . 1 1 18 18 GLN H H 1 8.889 0.001 . 1 . . . . A 18 GLN H . 18661 1
114 . 1 1 18 18 GLN HA H 1 4.543 0.000 . 1 . . . . A 18 GLN HA . 18661 1
115 . 1 1 18 18 GLN HB2 H 1 1.838 0.000 . 1 . . . . A 18 GLN HB2 . 18661 1
116 . 1 1 18 18 GLN HB3 H 1 2.192 0.000 . 1 . . . . A 18 GLN HB3 . 18661 1
117 . 1 1 18 18 GLN HG2 H 1 2.319 0.000 . 1 . . . . A 18 GLN HG2 . 18661 1
118 . 1 1 18 18 GLN HG3 H 1 2.319 0.000 . 1 . . . . A 18 GLN HG3 . 18661 1
119 . 1 1 18 18 GLN HE21 H 1 6.709 0.000 . 1 . . . . A 18 GLN HE21 . 18661 1
120 . 1 1 18 18 GLN HE22 H 1 7.267 0.000 . 1 . . . . A 18 GLN HE22 . 18661 1
121 . 1 1 19 19 GLY H H 1 8.387 0.000 . 1 . . . . A 19 GLY H . 18661 1
122 . 1 1 19 19 GLY HA2 H 1 3.974 0.000 . 1 . . . . A 19 GLY HA2 . 18661 1
123 . 1 1 19 19 GLY HA3 H 1 3.871 0.000 . 1 . . . . A 19 GLY HA3 . 18661 1
stop_
save_