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 20062
_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 $chemical_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
2 '2D 1H-1H TOCSY' . . . 20062 1
3 '2D 1H-1H NOESY' . . . 20062 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $xwinnmr . . 20062 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.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 GLU H H 1 8.131 0.001 . 1 . . . . 1 GLU HN . 20062 1
2 . 1 1 1 1 GLU HA H 1 3.793 0.001 . 1 . . . . 1 GLU HA . 20062 1
3 . 1 1 1 1 GLU HB2 H 1 2.325 0.001 . 1 . . . . 1 GLU QB . 20062 1
4 . 1 1 1 1 GLU HB3 H 1 2.325 0.001 . 1 . . . . 1 GLU QB . 20062 1
5 . 1 1 1 1 GLU HG2 H 1 1.903 0.001 . 1 . . . . 1 GLU QG . 20062 1
6 . 1 1 1 1 GLU HG3 H 1 1.903 0.001 . 1 . . . . 1 GLU QG . 20062 1
7 . 1 1 2 2 ASN H H 1 8.763 0.001 . 1 . . . . 2 ASN HN . 20062 1
8 . 1 1 2 2 ASN HA H 1 4.847 0.001 . 1 . . . . 2 ASN HA . 20062 1
9 . 1 1 2 2 ASN HB2 H 1 2.545 0.001 . 2 . . . . 2 ASN HB2 . 20062 1
10 . 1 1 2 2 ASN HB3 H 1 2.406 0.001 . 2 . . . . 2 ASN HB3 . 20062 1
11 . 1 1 2 2 ASN HD21 H 1 7.017 0.002 . 2 . . . . 2 ASN HD21 . 20062 1
12 . 1 1 2 2 ASN HD22 H 1 7.503 0.001 . 2 . . . . 2 ASN HD22 . 20062 1
13 . 1 1 3 3 PRO HA H 1 4.405 0.002 . 1 . . . . 3 PRO HA . 20062 1
14 . 1 1 3 3 PRO HB2 H 1 1.998 0.002 . 2 . . . . 3 PRO HB2 . 20062 1
15 . 1 1 3 3 PRO HB3 H 1 1.872 0.001 . 2 . . . . 3 PRO HB3 . 20062 1
16 . 1 1 3 3 PRO HD2 H 1 3.657 0.001 . 2 . . . . 3 PRO HD2 . 20062 1
17 . 1 1 3 3 PRO HD3 H 1 3.627 0.001 . 2 . . . . 3 PRO HD3 . 20062 1
18 . 1 1 3 3 PRO HG2 H 1 1.817 0.002 . 1 . . . . 3 PRO QG . 20062 1
19 . 1 1 3 3 PRO HG3 H 1 1.817 0.002 . 1 . . . . 3 PRO QG . 20062 1
20 . 1 1 4 4 VAL H H 1 7.801 0.003 . 1 . . . . 4 VAL HN . 20062 1
21 . 1 1 4 4 VAL HA H 1 4.053 0.001 . 1 . . . . 4 VAL HA . 20062 1
22 . 1 1 4 4 VAL HB H 1 1.955 0.001 . 1 . . . . 4 VAL HB . 20062 1
23 . 1 1 4 4 VAL HG11 H 1 0.780 0.001 . 1 . . . . 4 VAL QQG . 20062 1
24 . 1 1 4 4 VAL HG12 H 1 0.780 0.001 . 1 . . . . 4 VAL QQG . 20062 1
25 . 1 1 4 4 VAL HG13 H 1 0.780 0.001 . 1 . . . . 4 VAL QQG . 20062 1
26 . 1 1 4 4 VAL HG21 H 1 0.780 0.001 . 1 . . . . 4 VAL QQG . 20062 1
27 . 1 1 4 4 VAL HG22 H 1 0.780 0.001 . 1 . . . . 4 VAL QQG . 20062 1
28 . 1 1 4 4 VAL HG23 H 1 0.780 0.001 . 1 . . . . 4 VAL QQG . 20062 1
29 . 1 1 5 5 VAL H H 1 7.584 0.001 . 1 . . . . 5 VAL HN . 20062 1
30 . 1 1 5 5 VAL HA H 1 4.060 0.001 . 1 . . . . 5 VAL HA . 20062 1
31 . 1 1 5 5 VAL HB H 1 1.851 0.001 . 1 . . . . 5 VAL HB . 20062 1
32 . 1 1 5 5 VAL HG11 H 1 0.731 0.001 . 1 . . . . 5 VAL QQG . 20062 1
33 . 1 1 5 5 VAL HG12 H 1 0.731 0.001 . 1 . . . . 5 VAL QQG . 20062 1
34 . 1 1 5 5 VAL HG13 H 1 0.731 0.001 . 1 . . . . 5 VAL QQG . 20062 1
35 . 1 1 5 5 VAL HG21 H 1 0.731 0.001 . 1 . . . . 5 VAL QQG . 20062 1
36 . 1 1 5 5 VAL HG22 H 1 0.731 0.001 . 1 . . . . 5 VAL QQG . 20062 1
37 . 1 1 5 5 VAL HG23 H 1 0.731 0.001 . 1 . . . . 5 VAL QQG . 20062 1
38 . 1 1 6 6 HIS H H 1 8.130 0.004 . 1 . . . . 6 HIS HN . 20062 1
39 . 1 1 6 6 HIS HA H 1 4.566 0.001 . 1 . . . . 6 HIS HA . 20062 1
40 . 1 1 6 6 HIS HB2 H 1 2.934 0.001 . 2 . . . . 6 HIS HB2 . 20062 1
41 . 1 1 6 6 HIS HB3 H 1 2.822 0.002 . 2 . . . . 6 HIS HB3 . 20062 1
42 . 1 1 6 6 HIS HD2 H 1 7.187 0.002 . 1 . . . . 6 HIS HD2 . 20062 1
43 . 1 1 6 6 HIS HE1 H 1 8.904 0.001 . 1 . . . . 6 HIS HE1 . 20062 1
44 . 1 1 7 7 PHE H H 1 7.922 0.001 . 1 . . . . 7 PHE HN . 20062 1
45 . 1 1 7 7 PHE HA H 1 4.531 0.001 . 1 . . . . 7 PHE HA . 20062 1
46 . 1 1 7 7 PHE HB2 H 1 2.979 0.001 . 2 . . . . 7 PHE HB2 . 20062 1
47 . 1 1 7 7 PHE HB3 H 1 2.740 0.003 . 2 . . . . 7 PHE HB3 . 20062 1
48 . 1 1 7 7 PHE HD1 H 1 7.168 0.001 . 3 . . . . 7 PHE HD1 . 20062 1
49 . 1 1 7 7 PHE HE1 H 1 7.179 0.001 . 3 . . . . 7 PHE HE1 . 20062 1
50 . 1 1 7 7 PHE HZ H 1 7.170 0.001 . 1 . . . . 7 PHE HZ . 20062 1
51 . 1 1 8 8 PHE H H 1 8.286 0.002 . 1 . . . . 8 PHE HN . 20062 1
52 . 1 1 8 8 PHE HA H 1 4.570 0.001 . 1 . . . . 8 PHE HA . 20062 1
53 . 1 1 8 8 PHE HB2 H 1 3.030 0.001 . 2 . . . . 8 PHE HB2 . 20062 1
54 . 1 1 8 8 PHE HB3 H 1 2.818 0.003 . 2 . . . . 8 PHE HB3 . 20062 1
55 . 1 1 8 8 PHE HD1 H 1 7.230 0.002 . 3 . . . . 8 PHE HD1 . 20062 1
56 . 1 1 8 8 PHE HE1 H 1 7.250 0.001 . 3 . . . . 8 PHE HE1 . 20062 1
57 . 1 1 8 8 PHE HZ H 1 7.241 0.001 . 1 . . . . 8 PHE HZ . 20062 1
58 . 1 1 9 9 LYS H H 1 8.160 0.001 . 1 . . . . 9 LYS HN . 20062 1
59 . 1 1 9 9 LYS HA H 1 4.320 0.002 . 1 . . . . 9 LYS HA . 20062 1
60 . 1 1 9 9 LYS HB2 H 1 1.648 0.001 . 2 . . . . 9 LYS HB2 . 20062 1
61 . 1 1 9 9 LYS HB3 H 1 1.526 0.005 . 2 . . . . 9 LYS HB3 . 20062 1
62 . 1 1 9 9 LYS HD2 H 1 1.501 0.002 . 4 . . . . 9 LYS QD . 20062 1
63 . 1 1 9 9 LYS HD3 H 1 1.501 0.002 . 4 . . . . 9 LYS QD . 20062 1
64 . 1 1 9 9 LYS HE2 H 1 2.743 0.001 . 1 . . . . 9 LYS QE . 20062 1
65 . 1 1 9 9 LYS HE3 H 1 2.743 0.001 . 1 . . . . 9 LYS QE . 20062 1
66 . 1 1 9 9 LYS HG2 H 1 1.300 0.002 . 4 . . . . 9 LYS QG . 20062 1
67 . 1 1 9 9 LYS HG3 H 1 1.300 0.002 . 4 . . . . 9 LYS QG . 20062 1
68 . 1 1 9 9 LYS HZ1 H 1 7.737 0.001 . 1 . . . . 9 LYS QZ . 20062 1
69 . 1 1 9 9 LYS HZ2 H 1 7.737 0.001 . 1 . . . . 9 LYS QZ . 20062 1
70 . 1 1 9 9 LYS HZ3 H 1 7.737 0.001 . 1 . . . . 9 LYS QZ . 20062 1
71 . 1 1 10 10 ASN H H 1 8.264 0.001 . 1 . . . . 10 ASN HN . 20062 1
72 . 1 1 10 10 ASN HA H 1 4.606 0.001 . 1 . . . . 10 ASN HA . 20062 1
73 . 1 1 10 10 ASN HB2 H 1 2.538 0.003 . 2 . . . . 10 ASN HB2 . 20062 1
74 . 1 1 10 10 ASN HB3 H 1 2.406 0.002 . 2 . . . . 10 ASN HB3 . 20062 1
75 . 1 1 10 10 ASN HD21 H 1 6.957 0.001 . 2 . . . . 10 ASN HD21 . 20062 1
76 . 1 1 10 10 ASN HD22 H 1 7.402 0.004 . 2 . . . . 10 ASN HD22 . 20062 1
77 . 1 1 11 11 ILE H H 1 7.735 0.001 . 1 . . . . 11 ILE HN . 20062 1
78 . 1 1 11 11 ILE HA H 1 4.227 0.001 . 1 . . . . 11 ILE HA . 20062 1
79 . 1 1 11 11 ILE HB H 1 1.735 0.003 . 1 . . . . 11 ILE HB . 20062 1
80 . 1 1 11 11 ILE HD11 H 1 0.771 0.001 . 1 . . . . 11 ILE QD1 . 20062 1
81 . 1 1 11 11 ILE HD12 H 1 0.771 0.001 . 1 . . . . 11 ILE QD1 . 20062 1
82 . 1 1 11 11 ILE HD13 H 1 0.771 0.001 . 1 . . . . 11 ILE QD1 . 20062 1
83 . 1 1 11 11 ILE HG12 H 1 1.379 0.004 . 2 . . . . 11 ILE HG12 . 20062 1
84 . 1 1 11 11 ILE HG13 H 1 1.048 0.002 . 2 . . . . 11 ILE HG13 . 20062 1
85 . 1 1 11 11 ILE HG21 H 1 0.806 0.003 . 1 . . . . 11 ILE QG2 . 20062 1
86 . 1 1 11 11 ILE HG22 H 1 0.806 0.003 . 1 . . . . 11 ILE QG2 . 20062 1
87 . 1 1 11 11 ILE HG23 H 1 0.806 0.003 . 1 . . . . 11 ILE QG2 . 20062 1
88 . 1 1 12 12 VAL H H 1 7.807 0.004 . 1 . . . . 12 VAL HN . 20062 1
89 . 1 1 12 12 VAL HA H 1 4.217 0.001 . 1 . . . . 12 VAL HA . 20062 1
90 . 1 1 12 12 VAL HB H 1 1.940 0.006 . 1 . . . . 12 VAL HB . 20062 1
91 . 1 1 12 12 VAL HG11 H 1 0.802 0.003 . 1 . . . . 12 VAL QQG . 20062 1
92 . 1 1 12 12 VAL HG12 H 1 0.802 0.003 . 1 . . . . 12 VAL QQG . 20062 1
93 . 1 1 12 12 VAL HG13 H 1 0.802 0.003 . 1 . . . . 12 VAL QQG . 20062 1
94 . 1 1 12 12 VAL HG21 H 1 0.802 0.003 . 1 . . . . 12 VAL QQG . 20062 1
95 . 1 1 12 12 VAL HG22 H 1 0.802 0.003 . 1 . . . . 12 VAL QQG . 20062 1
96 . 1 1 12 12 VAL HG23 H 1 0.802 0.003 . 1 . . . . 12 VAL QQG . 20062 1
97 . 1 1 13 13 THR H H 1 7.951 0.002 . 1 . . . . 13 THR HN . 20062 1
98 . 1 1 13 13 THR HA H 1 4.376 0.001 . 1 . . . . 13 THR HA . 20062 1
99 . 1 1 13 13 THR HB H 1 3.850 0.002 . 1 . . . . 13 THR HB . 20062 1
100 . 1 1 13 13 THR HG21 H 1 1.111 0.001 . 1 . . . . 13 THR QG2 . 20062 1
101 . 1 1 13 13 THR HG22 H 1 1.111 0.001 . 1 . . . . 13 THR QG2 . 20062 1
102 . 1 1 13 13 THR HG23 H 1 1.111 0.001 . 1 . . . . 13 THR QG2 . 20062 1
103 . 1 1 14 14 PRO HA H 1 4.331 0.001 . 1 . . . . 14 PRO HA . 20062 1
104 . 1 1 14 14 PRO HB2 H 1 2.027 0.002 . 2 . . . . 14 PRO HB2 . 20062 1
105 . 1 1 14 14 PRO HB3 H 1 1.893 0.001 . 2 . . . . 14 PRO HB3 . 20062 1
106 . 1 1 14 14 PRO HD2 H 1 3.783 0.001 . 2 . . . . 14 PRO HD2 . 20062 1
107 . 1 1 14 14 PRO HD3 H 1 3.611 0.001 . 2 . . . . 14 PRO HD3 . 20062 1
108 . 1 1 14 14 PRO HG2 H 1 1.805 0.001 . 1 . . . . 14 PRO QG . 20062 1
109 . 1 1 14 14 PRO HG3 H 1 1.805 0.001 . 1 . . . . 14 PRO QG . 20062 1
110 . 1 1 15 15 ARG H H 1 8.013 0.001 . 1 . . . . 15 ARG HN . 20062 1
111 . 1 1 15 15 ARG HA H 1 4.287 0.001 . 1 . . . . 15 ARG HA . 20062 1
112 . 1 1 15 15 ARG HB2 H 1 1.676 0.000 . 2 . . . . 15 ARG HB2 . 20062 1
113 . 1 1 15 15 ARG HB3 H 1 1.494 0.001 . 2 . . . . 15 ARG HB3 . 20062 1
114 . 1 1 15 15 ARG HD2 H 1 3.070 0.001 . 1 . . . . 15 ARG QD . 20062 1
115 . 1 1 15 15 ARG HD3 H 1 3.070 0.001 . 1 . . . . 15 ARG QD . 20062 1
116 . 1 1 15 15 ARG HE H 1 7.493 0.001 . 1 . . . . 15 ARG HE . 20062 1
117 . 1 1 15 15 ARG HG2 H 1 1.457 0.001 . 1 . . . . 15 ARG QG . 20062 1
118 . 1 1 15 15 ARG HG3 H 1 1.457 0.001 . 1 . . . . 15 ARG QG . 20062 1
119 . 1 1 16 16 THR H H 1 7.888 0.001 . 1 . . . . 16 THR HN . 20062 1
120 . 1 1 16 16 THR HA H 1 4.310 0.001 . 1 . . . . 16 THR HA . 20062 1
121 . 1 1 16 16 THR HB H 1 3.785 0.001 . 1 . . . . 16 THR HB . 20062 1
122 . 1 1 16 16 THR HG21 H 1 1.121 0.005 . 1 . . . . 16 THR QG2 . 20062 1
123 . 1 1 16 16 THR HG22 H 1 1.121 0.005 . 1 . . . . 16 THR QG2 . 20062 1
124 . 1 1 16 16 THR HG23 H 1 1.121 0.005 . 1 . . . . 16 THR QG2 . 20062 1
125 . 1 1 17 17 PRO HA H 1 4.188 0.001 . 1 . . . . 17 PRO HA . 20062 1
126 . 1 1 17 17 PRO HB2 H 1 2.133 0.001 . 2 . . . . 17 PRO HB2 . 20062 1
127 . 1 1 17 17 PRO HB3 H 1 1.917 0.001 . 2 . . . . 17 PRO HB3 . 20062 1
128 . 1 1 17 17 PRO HD2 H 1 3.784 0.001 . 2 . . . . 17 PRO HD2 . 20062 1
129 . 1 1 17 17 PRO HD3 H 1 3.628 0.007 . 2 . . . . 17 PRO HD3 . 20062 1
130 . 1 1 17 17 PRO HG2 H 1 1.841 0.001 . 1 . . . . 17 PRO QG . 20062 1
131 . 1 1 17 17 PRO HG3 H 1 1.841 0.001 . 1 . . . . 17 PRO QG . 20062 1
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 62 20062 1
1 63 20062 1
1 66 20062 1
1 67 20062 1
stop_
save_