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 17662
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_25C
_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
1 '2D 1H-1H COSY' . . . 17662 1
2 '2D 1H-1H TOCSY' . . . 17662 1
3 '2D 1H-1H NOESY' . . . 17662 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 CYS HA H 1 4.319 . . 1 . . . . 1 CYS HA . 17662 1
2 . 1 1 1 1 CYS HB2 H 1 3.318 . . 2 . . . . 1 CYS HB2 . 17662 1
3 . 1 1 1 1 CYS HB3 H 1 3.272 . . 2 . . . . 1 CYS HB3 . 17662 1
4 . 1 1 2 2 SER H H 1 8.891 . . 1 . . . . 2 SER HN . 17662 1
5 . 1 1 2 2 SER HA H 1 4.658 . . 1 . . . . 2 SER HA . 17662 1
6 . 1 1 2 2 SER HB2 H 1 3.776 . . 2 . . . . 2 SER HB2 . 17662 1
7 . 1 1 2 2 SER HB3 H 1 3.776 . . 2 . . . . 2 SER HB3 . 17662 1
8 . 1 1 3 3 CYS H H 1 8.399 . . 1 . . . . 3 CYS HN . 17662 1
9 . 1 1 3 3 CYS HA H 1 4.800 . . 1 . . . . 3 CYS HA . 17662 1
10 . 1 1 3 3 CYS HB2 H 1 3.169 . . 2 . . . . 3 CYS HB2 . 17662 1
11 . 1 1 3 3 CYS HB3 H 1 2.768 . . 2 . . . . 3 CYS HB3 . 17662 1
12 . 1 1 4 4 ASN H H 1 8.728 . . 1 . . . . 4 ASN HN . 17662 1
13 . 1 1 4 4 ASN HA H 1 4.587 . . 1 . . . . 4 ASN HA . 17662 1
14 . 1 1 4 4 ASN HB2 H 1 2.763 . . 2 . . . . 4 ASN HB2 . 17662 1
15 . 1 1 4 4 ASN HB3 H 1 2.763 . . 2 . . . . 4 ASN HB3 . 17662 1
16 . 1 1 4 4 ASN HD21 H 1 6.875 . . 2 . . . . 4 ASN HD21 . 17662 1
17 . 1 1 4 4 ASN HD22 H 1 7.569 . . 2 . . . . 4 ASN HD22 . 17662 1
18 . 1 1 5 5 ASP H H 1 8.095 . . 1 . . . . 5 ASP HN . 17662 1
19 . 1 1 5 5 ASP HA H 1 4.734 . . 1 . . . . 5 ASP HA . 17662 1
20 . 1 1 5 5 ASP HB2 H 1 2.938 . . 2 . . . . 5 ASP HB2 . 17662 1
21 . 1 1 5 5 ASP HB3 H 1 2.780 . . 2 . . . . 5 ASP HB3 . 17662 1
22 . 1 1 6 6 ILE H H 1 8.163 . . 1 . . . . 6 ILE HN . 17662 1
23 . 1 1 6 6 ILE HA H 1 4.147 . . 1 . . . . 6 ILE HA . 17662 1
24 . 1 1 6 6 ILE HB H 1 1.896 . . 1 . . . . 6 ILE HB . 17662 1
25 . 1 1 6 6 ILE HG12 H 1 1.325 . . 9 . . . . 6 ILE HG12 . 17662 1
26 . 1 1 6 6 ILE HG13 H 1 1.170 . . 9 . . . . 6 ILE HG13 . 17662 1
27 . 1 1 6 6 ILE HG21 H 1 0.881 . . 4 . . . . 6 ILE HG21 . 17662 1
28 . 1 1 6 6 ILE HG22 H 1 0.881 . . 4 . . . . 6 ILE HG22 . 17662 1
29 . 1 1 6 6 ILE HG23 H 1 0.881 . . 4 . . . . 6 ILE HG23 . 17662 1
30 . 1 1 6 6 ILE HD11 H 1 0.807 . . 1 . . . . 6 ILE HD11 . 17662 1
31 . 1 1 6 6 ILE HD12 H 1 0.807 . . 1 . . . . 6 ILE HD12 . 17662 1
32 . 1 1 6 6 ILE HD13 H 1 0.807 . . 1 . . . . 6 ILE HD13 . 17662 1
33 . 1 1 7 7 ASN H H 1 8.094 . . 1 . . . . 7 ASN HN . 17662 1
34 . 1 1 7 7 ASN HA H 1 4.655 . . 1 . . . . 7 ASN HA . 17662 1
35 . 1 1 7 7 ASN HB2 H 1 2.846 . . 2 . . . . 7 ASN HB2 . 17662 1
36 . 1 1 7 7 ASN HB3 H 1 2.770 . . 2 . . . . 7 ASN HB3 . 17662 1
37 . 1 1 7 7 ASN HD21 H 1 6.917 . . 2 . . . . 7 ASN HD21 . 17662 1
38 . 1 1 7 7 ASN HD22 H 1 7.622 . . 2 . . . . 7 ASN HD22 . 17662 1
39 . 1 1 8 8 ASP H H 1 7.786 . . 1 . . . . 8 ASP HN . 17662 1
40 . 1 1 8 8 ASP HA H 1 4.652 . . 1 . . . . 8 ASP HA . 17662 1
41 . 1 1 8 8 ASP HB2 H 1 3.112 . . 2 . . . . 8 ASP HB2 . 17662 1
42 . 1 1 8 8 ASP HB3 H 1 2.754 . . 2 . . . . 8 ASP HB3 . 17662 1
43 . 1 1 9 9 LYS H H 1 8.379 . . 1 . . . . 9 LYS HN . 17662 1
44 . 1 1 9 9 LYS HA H 1 3.937 . . 1 . . . . 9 LYS HA . 17662 1
45 . 1 1 9 9 LYS HB2 H 1 1.793 . . 2 . . . . 9 LYS HB2 . 17662 1
46 . 1 1 9 9 LYS HB3 H 1 1.793 . . 2 . . . . 9 LYS HB3 . 17662 1
47 . 1 1 9 9 LYS HG2 H 1 1.488 . . 2 . . . . 9 LYS HG2 . 17662 1
48 . 1 1 9 9 LYS HG3 H 1 1.387 . . 2 . . . . 9 LYS HG3 . 17662 1
49 . 1 1 9 9 LYS HD2 H 1 1.632 . . 2 . . . . 9 LYS HD2 . 17662 1
50 . 1 1 9 9 LYS HD3 H 1 1.632 . . 2 . . . . 9 LYS HD3 . 17662 1
51 . 1 1 9 9 LYS HE2 H 1 2.957 . . 2 . . . . 9 LYS HE2 . 17662 1
52 . 1 1 9 9 LYS HE3 H 1 2.957 . . 2 . . . . 9 LYS HE3 . 17662 1
53 . 1 1 9 9 LYS HZ1 H 1 7.498 . . 1 . . . . 9 LYS HZ1 . 17662 1
54 . 1 1 9 9 LYS HZ2 H 1 7.498 . . 1 . . . . 9 LYS HZ2 . 17662 1
55 . 1 1 9 9 LYS HZ3 H 1 7.498 . . 1 . . . . 9 LYS HZ3 . 17662 1
56 . 1 1 10 10 GLU H H 1 8.265 . . 1 . . . . 10 GLU HN . 17662 1
57 . 1 1 10 10 GLU HA H 1 4.153 . . 1 . . . . 10 GLU HA . 17662 1
58 . 1 1 10 10 GLU HB2 H 1 2.089 . . 2 . . . . 10 GLU HB2 . 17662 1
59 . 1 1 10 10 GLU HB3 H 1 2.089 . . 2 . . . . 10 GLU HB3 . 17662 1
60 . 1 1 10 10 GLU HG2 H 1 2.446 . . 2 . . . . 10 GLU HG2 . 17662 1
61 . 1 1 10 10 GLU HG3 H 1 2.446 . . 2 . . . . 10 GLU HG3 . 17662 1
62 . 1 1 11 11 CYS H H 1 7.703 . . 1 . . . . 11 CYS HN . 17662 1
63 . 1 1 11 11 CYS HA H 1 4.257 . . 1 . . . . 11 CYS HA . 17662 1
64 . 1 1 11 11 CYS HB2 H 1 3.145 . . 2 . . . . 11 CYS HB2 . 17662 1
65 . 1 1 11 11 CYS HB3 H 1 3.070 . . 2 . . . . 11 CYS HB3 . 17662 1
66 . 1 1 12 12 MET H H 1 8.133 . . 1 . . . . 12 MET HN . 17662 1
67 . 1 1 12 12 MET HA H 1 4.137 . . 1 . . . . 12 MET HA . 17662 1
68 . 1 1 12 12 MET HB2 H 1 2.000 . . 2 . . . . 12 MET HB2 . 17662 1
69 . 1 1 12 12 MET HB3 H 1 1.895 . . 2 . . . . 12 MET HB3 . 17662 1
70 . 1 1 12 12 MET HG2 H 1 2.472 . . 2 . . . . 12 MET HG2 . 17662 1
71 . 1 1 12 12 MET HG3 H 1 2.472 . . 2 . . . . 12 MET HG3 . 17662 1
72 . 1 1 12 12 MET HE1 H 1 1.962 . . 1 . . . . 12 MET HE1 . 17662 1
73 . 1 1 12 12 MET HE2 H 1 1.962 . . 1 . . . . 12 MET HE2 . 17662 1
74 . 1 1 12 12 MET HE3 H 1 1.962 . . 1 . . . . 12 MET HE3 . 17662 1
75 . 1 1 13 13 TYR H H 1 7.819 . . 1 . . . . 13 TYR HN . 17662 1
76 . 1 1 13 13 TYR HA H 1 4.250 . . 1 . . . . 13 TYR HA . 17662 1
77 . 1 1 13 13 TYR HB2 H 1 2.927 . . 2 . . . . 13 TYR HB2 . 17662 1
78 . 1 1 13 13 TYR HB3 H 1 2.927 . . 2 . . . . 13 TYR HB3 . 17662 1
79 . 1 1 13 13 TYR HD1 H 1 6.782 . . 2 . . . . 13 TYR HD1 . 17662 1
80 . 1 1 13 13 TYR HD2 H 1 6.782 . . 2 . . . . 13 TYR HD2 . 17662 1
81 . 1 1 13 13 TYR HE1 H 1 6.683 . . 2 . . . . 13 TYR HE1 . 17662 1
82 . 1 1 13 13 TYR HE2 H 1 6.683 . . 2 . . . . 13 TYR HE2 . 17662 1
83 . 1 1 14 14 PHE H H 1 7.975 . . 1 . . . . 14 PHE HN . 17662 1
84 . 1 1 14 14 PHE HA H 1 4.268 . . 1 . . . . 14 PHE HA . 17662 1
85 . 1 1 14 14 PHE HB2 H 1 3.177 . . 2 . . . . 14 PHE HB2 . 17662 1
86 . 1 1 14 14 PHE HB3 H 1 3.089 . . 2 . . . . 14 PHE HB3 . 17662 1
87 . 1 1 14 14 PHE HD1 H 1 7.293 . . 2 . . . . 14 PHE HD1 . 17662 1
88 . 1 1 14 14 PHE HD2 H 1 7.293 . . 2 . . . . 14 PHE HD2 . 17662 1
89 . 1 1 14 14 PHE HE1 H 1 7.362 . . 2 . . . . 14 PHE HE1 . 17662 1
90 . 1 1 14 14 PHE HE2 H 1 7.362 . . 2 . . . . 14 PHE HE2 . 17662 1
91 . 1 1 14 14 PHE HZ H 1 7.370 . . 1 . . . . 14 PHE HZ . 17662 1
92 . 1 1 15 15 CYS H H 1 8.308 . . 1 . . . . 15 CYS HN . 17662 1
93 . 1 1 15 15 CYS HA H 1 4.572 . . 1 . . . . 15 CYS HA . 17662 1
94 . 1 1 15 15 CYS HB2 H 1 3.184 . . 2 . . . . 15 CYS HB2 . 17662 1
95 . 1 1 15 15 CYS HB3 H 1 2.951 . . 2 . . . . 15 CYS HB3 . 17662 1
96 . 1 1 16 16 HIS H H 1 8.017 . . 1 . . . . 16 HIS HN . 17662 1
97 . 1 1 16 16 HIS HA H 1 4.557 . . 1 . . . . 16 HIS HA . 17662 1
98 . 1 1 16 16 HIS HB2 H 1 3.256 . . 2 . . . . 16 HIS HB2 . 17662 1
99 . 1 1 16 16 HIS HB3 H 1 3.190 . . 2 . . . . 16 HIS HB3 . 17662 1
100 . 1 1 16 16 HIS HD2 H 1 7.174 . . 2 . . . . 16 HIS HD2 . 17662 1
101 . 1 1 16 16 HIS HE1 H 1 8.475 . . 2 . . . . 16 HIS HE1 . 17662 1
102 . 1 1 17 17 GLN H H 1 8.129 . . 1 . . . . 17 GLN HN . 17662 1
103 . 1 1 17 17 GLN HA H 1 4.214 . . 1 . . . . 17 GLN HA . 17662 1
104 . 1 1 17 17 GLN HB2 H 1 2.015 . . 2 . . . . 17 GLN HB2 . 17662 1
105 . 1 1 17 17 GLN HB3 H 1 1.895 . . 2 . . . . 17 GLN HB3 . 17662 1
106 . 1 1 17 17 GLN HG2 H 1 2.195 . . 2 . . . . 17 GLN HG2 . 17662 1
107 . 1 1 17 17 GLN HG3 H 1 2.195 . . 2 . . . . 17 GLN HG3 . 17662 1
108 . 1 1 17 17 GLN HE21 H 1 6.726 . . 2 . . . . 17 GLN HE21 . 17662 1
109 . 1 1 17 17 GLN HE22 H 1 7.248 . . 2 . . . . 17 GLN HE22 . 17662 1
110 . 1 1 18 18 ASP H H 1 8.300 . . 1 . . . . 18 ASP HN . 17662 1
111 . 1 1 18 18 ASP HA H 1 4.600 . . 1 . . . . 18 ASP HA . 17662 1
112 . 1 1 18 18 ASP HB2 H 1 2.835 . . 2 . . . . 18 ASP HB2 . 17662 1
113 . 1 1 18 18 ASP HB3 H 1 2.722 . . 2 . . . . 18 ASP HB3 . 17662 1
114 . 1 1 19 19 VAL H H 1 7.867 . . 1 . . . . 19 VAL HN . 17662 1
115 . 1 1 19 19 VAL HA H 1 4.018 . . 1 . . . . 19 VAL HA . 17662 1
116 . 1 1 19 19 VAL HB H 1 1.894 . . 1 . . . . 19 VAL HB . 17662 1
117 . 1 1 19 19 VAL HG11 H 1 0.688 . . 4 . . . . 19 VAL HG11 . 17662 1
118 . 1 1 19 19 VAL HG12 H 1 0.688 . . 4 . . . . 19 VAL HG12 . 17662 1
119 . 1 1 19 19 VAL HG13 H 1 0.688 . . 4 . . . . 19 VAL HG13 . 17662 1
120 . 1 1 19 19 VAL HG21 H 1 0.776 . . 4 . . . . 19 VAL HG21 . 17662 1
121 . 1 1 19 19 VAL HG22 H 1 0.776 . . 4 . . . . 19 VAL HG22 . 17662 1
122 . 1 1 19 19 VAL HG23 H 1 0.776 . . 4 . . . . 19 VAL HG23 . 17662 1
123 . 1 1 20 20 ILE H H 1 7.982 . . 1 . . . . 20 ILE HN . 17662 1
124 . 1 1 20 20 ILE HA H 1 4.070 . . 1 . . . . 20 ILE HA . 17662 1
125 . 1 1 20 20 ILE HB H 1 1.732 . . 1 . . . . 20 ILE HB . 17662 1
126 . 1 1 20 20 ILE HG12 H 1 1.313 . . 9 . . . . 20 ILE HG12 . 17662 1
127 . 1 1 20 20 ILE HG13 H 1 1.050 . . 9 . . . . 20 ILE HG13 . 17662 1
128 . 1 1 20 20 ILE HG21 H 1 0.742 . . 4 . . . . 20 ILE HG21 . 17662 1
129 . 1 1 20 20 ILE HG22 H 1 0.742 . . 4 . . . . 20 ILE HG22 . 17662 1
130 . 1 1 20 20 ILE HG23 H 1 0.742 . . 4 . . . . 20 ILE HG23 . 17662 1
131 . 1 1 20 20 ILE HD11 H 1 0.742 . . 1 . . . . 20 ILE HD11 . 17662 1
132 . 1 1 20 20 ILE HD12 H 1 0.742 . . 1 . . . . 20 ILE HD12 . 17662 1
133 . 1 1 20 20 ILE HD13 H 1 0.742 . . 1 . . . . 20 ILE HD13 . 17662 1
134 . 1 1 21 21 TRP H H 1 8.052 . . 1 . . . . 21 TRP HN . 17662 1
135 . 1 1 21 21 TRP HA H 1 4.610 . . 1 . . . . 21 TRP HA . 17662 1
136 . 1 1 21 21 TRP HB2 H 1 3.201 . . 2 . . . . 21 TRP HB2 . 17662 1
137 . 1 1 21 21 TRP HB3 H 1 3.131 . . 2 . . . . 21 TRP HB3 . 17662 1
138 . 1 1 21 21 TRP HD1 H 1 7.161 . . 1 . . . . 21 TRP HD1 . 17662 1
139 . 1 1 21 21 TRP HE1 H 1 10.007 . . 2 . . . . 21 TRP HE1 . 17662 1
140 . 1 1 21 21 TRP HE3 H 1 7.528 . . 2 . . . . 21 TRP HE3 . 17662 1
141 . 1 1 21 21 TRP HZ2 H 1 7.381 . . 2 . . . . 21 TRP HZ2 . 17662 1
142 . 1 1 21 21 TRP HZ3 H 1 7.053 . . 2 . . . . 21 TRP HZ3 . 17662 1
143 . 1 1 21 21 TRP HH2 H 1 7.141 . . 1 . . . . 21 TRP HH2 . 17662 1
144 . 1 1 22 22 ASP H H 1 8.011 . . 1 . . . . 22 ASP HN . 17662 1
145 . 1 1 22 22 ASP HA H 1 4.546 . . 1 . . . . 22 ASP HA . 17662 1
146 . 1 1 22 22 ASP HB2 H 1 2.581 . . 2 . . . . 22 ASP HB2 . 17662 1
147 . 1 1 22 22 ASP HB3 H 1 2.535 . . 2 . . . . 22 ASP HB3 . 17662 1
148 . 1 1 23 23 GLU H H 1 7.830 . . 1 . . . . 23 GLU HN . 17662 1
149 . 1 1 23 23 GLU HA H 1 4.463 . . 1 . . . . 23 GLU HA . 17662 1
150 . 1 1 23 23 GLU HB2 H 1 1.986 . . 2 . . . . 23 GLU HB2 . 17662 1
151 . 1 1 23 23 GLU HB3 H 1 1.767 . . 2 . . . . 23 GLU HB3 . 17662 1
152 . 1 1 23 23 GLU HG2 H 1 2.360 . . 2 . . . . 23 GLU HG2 . 17662 1
153 . 1 1 23 23 GLU HG3 H 1 2.360 . . 2 . . . . 23 GLU HG3 . 17662 1
154 . 1 1 24 24 PRO HA H 1 4.307 . . 1 . . . . 24 PRO HA . 17662 1
155 . 1 1 24 24 PRO HB2 H 1 2.226 . . 2 . . . . 24 PRO HB2 . 17662 1
156 . 1 1 24 24 PRO HB3 H 1 1.981 . . 2 . . . . 24 PRO HB3 . 17662 1
157 . 1 1 24 24 PRO HG2 H 1 1.951 . . 2 . . . . 24 PRO HG2 . 17662 1
158 . 1 1 24 24 PRO HG3 H 1 1.951 . . 2 . . . . 24 PRO HG3 . 17662 1
159 . 1 1 24 24 PRO HD2 H 1 3.640 . . 2 . . . . 24 PRO HD2 . 17662 1
160 . 1 1 24 24 PRO HD3 H 1 3.640 . . 2 . . . . 24 PRO HD3 . 17662 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 27 17662 1
1 28 17662 1
1 29 17662 1
2 117 17662 1
2 118 17662 1
2 119 17662 1
2 120 17662 1
2 121 17662 1
2 122 17662 1
3 128 17662 1
3 129 17662 1
3 130 17662 1
stop_
save_