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 21058
_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
1 '2D 1H-1H NOESY' 1 $sample_1 isotropic 21058 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 21058 1
3 '2D DQF-COSY' 1 $sample_1 isotropic 21058 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 2 2 TRP HA H 1 4.967 0.003 . 1 . . . . . 2 TRP HA . 21058 1
2 . 1 1 2 2 TRP HB2 H 1 3.514 0.004 . . . . . . . 2 TRP HB2 . 21058 1
3 . 1 1 2 2 TRP HB3 H 1 3.456 0.003 . . . . . . . 2 TRP HB3 . 21058 1
4 . 1 1 2 2 TRP HD1 H 1 7.552 0.001 . 1 . . . . . 2 TRP HD1 . 21058 1
5 . 1 1 2 2 TRP HE1 H 1 10.855 0.001 . 1 . . . . . 2 TRP HE1 . 21058 1
6 . 1 1 2 2 TRP HE3 H 1 7.652 0.000 . 1 . . . . . 2 TRP HE3 . 21058 1
7 . 1 1 2 2 TRP HH2 H 1 7.239 0.004 . 1 . . . . . 2 TRP HH2 . 21058 1
8 . 1 1 2 2 TRP HZ2 H 1 7.609 0.002 . 1 . . . . . 2 TRP HZ2 . 21058 1
9 . 1 1 2 2 TRP HZ3 H 1 7.106 0.002 . 1 . . . . . 2 TRP HZ3 . 21058 1
10 . 1 1 3 3 LYS H H 1 9.094 0.002 . 1 . . . . . 3 LYS H . 21058 1
11 . 1 1 3 3 LYS HA H 1 4.369 0.002 . 1 . . . . . 3 LYS HA . 21058 1
12 . 1 1 3 3 LYS HB2 H 1 2.046 0.003 . . . . . . . 3 LYS HB2 . 21058 1
13 . 1 1 3 3 LYS HB3 H 1 2.046 0.003 . . . . . . . 3 LYS HB3 . 21058 1
14 . 1 1 3 3 LYS HD2 H 1 1.911 0.009 . . . . . . . 3 LYS HD2 . 21058 1
15 . 1 1 3 3 LYS HD3 H 1 1.911 0.009 . . . . . . . 3 LYS HD3 . 21058 1
16 . 1 1 3 3 LYS HE2 H 1 3.205 0.000 . . . . . . . 3 LYS HE2 . 21058 1
17 . 1 1 3 3 LYS HE3 H 1 3.205 0.000 . . . . . . . 3 LYS HE3 . 21058 1
18 . 1 1 3 3 LYS HG2 H 1 1.616 0.005 . . . . . . . 3 LYS HG2 . 21058 1
19 . 1 1 3 3 LYS HG3 H 1 1.616 0.005 . . . . . . . 3 LYS HG3 . 21058 1
20 . 1 1 4 4 ILE H H 1 8.283 0.002 . 1 . . . . . 4 ILE H . 21058 1
21 . 1 1 4 4 ILE HA H 1 4.118 0.003 . 1 . . . . . 4 ILE HA . 21058 1
22 . 1 1 4 4 ILE HB H 1 1.924 0.002 . 1 . . . . . 4 ILE HB . 21058 1
23 . 1 1 4 4 ILE HD11 H 1 0.793 0.002 . 1 . . . . . 4 ILE MD . 21058 1
24 . 1 1 4 4 ILE HD12 H 1 0.793 0.002 . 1 . . . . . 4 ILE MD . 21058 1
25 . 1 1 4 4 ILE HD13 H 1 0.793 0.002 . 1 . . . . . 4 ILE MD . 21058 1
26 . 1 1 4 4 ILE HG12 H 1 1.45 0.003 . . . . . . . 4 ILE HG12 . 21058 1
27 . 1 1 4 4 ILE HG13 H 1 1.253 0.003 . . . . . . . 4 ILE HG13 . 21058 1
28 . 1 1 4 4 ILE HG21 H 1 0.98 0.002 . 1 . . . . . 4 ILE MG . 21058 1
29 . 1 1 4 4 ILE HG22 H 1 0.98 0.002 . 1 . . . . . 4 ILE MG . 21058 1
30 . 1 1 4 4 ILE HG23 H 1 0.98 0.002 . 1 . . . . . 4 ILE MG . 21058 1
31 . 1 1 5 5 PHE H H 1 7.859 0.002 . 1 . . . . . 5 PHE H . 21058 1
32 . 1 1 5 5 PHE HA H 1 4.617 0.003 . 1 . . . . . 5 PHE HA . 21058 1
33 . 1 1 5 5 PHE HB2 H 1 3.467 0.003 . . . . . . . 5 PHE HB2 . 21058 1
34 . 1 1 5 5 PHE HB3 H 1 3.327 0.003 . . . . . . . 5 PHE HB3 . 21058 1
35 . 1 1 5 5 PHE HD1 H 1 7.519 0.004 . . . . . . . 5 PHE HD1 . 21058 1
36 . 1 1 5 5 PHE HD2 H 1 7.519 0.004 . . . . . . . 5 PHE HD2 . 21058 1
37 . 1 1 5 5 PHE HE1 H 1 7.433 0.003 . . . . . . . 5 PHE HE1 . 21058 1
38 . 1 1 5 5 PHE HE2 H 1 7.433 0.003 . . . . . . . 5 PHE HE2 . 21058 1
39 . 1 1 5 5 PHE HZ H 1 7.302 0.001 . 1 . . . . . 5 PHE HZ . 21058 1
40 . 1 1 6 6 LYS H H 1 8.174 0.003 . 1 . . . . . 6 LYS H . 21058 1
41 . 1 1 6 6 LYS HA H 1 4.358 0.002 . 1 . . . . . 6 LYS HA . 21058 1
42 . 1 1 6 6 LYS HB2 H 1 2.108 0.000 . . . . . . . 6 LYS HB2 . 21058 1
43 . 1 1 6 6 LYS HB3 H 1 2.108 0.000 . . . . . . . 6 LYS HB3 . 21058 1
44 . 1 1 6 6 LYS HD2 H 1 1.936 0.001 . . . . . . . 6 LYS HD2 . 21058 1
45 . 1 1 6 6 LYS HD3 H 1 1.936 0.001 . . . . . . . 6 LYS HD3 . 21058 1
46 . 1 1 6 6 LYS HE2 H 1 3.192 0.000 . . . . . . . 6 LYS HE2 . 21058 1
47 . 1 1 6 6 LYS HE3 H 1 3.192 0.000 . . . . . . . 6 LYS HE3 . 21058 1
48 . 1 1 6 6 LYS HG2 H 1 1.77 0.005 . . . . . . . 6 LYS HG2 . 21058 1
49 . 1 1 6 6 LYS HG3 H 1 1.696 0.007 . . . . . . . 6 LYS HG3 . 21058 1
50 . 1 1 7 7 LYS H H 1 7.956 0.003 . 1 . . . . . 7 LYS H . 21058 1
51 . 1 1 7 7 LYS HA H 1 4.521 0.002 . 1 . . . . . 7 LYS HA . 21058 1
52 . 1 1 7 7 LYS HB2 H 1 2.05 0.001 . . . . . . . 7 LYS HB2 . 21058 1
53 . 1 1 7 7 LYS HB3 H 1 2.05 0.001 . . . . . . . 7 LYS HB3 . 21058 1
54 . 1 1 7 7 LYS HD2 H 1 1.859 0.001 . . . . . . . 7 LYS HD2 . 21058 1
55 . 1 1 7 7 LYS HD3 H 1 1.859 0.001 . . . . . . . 7 LYS HD3 . 21058 1
56 . 1 1 7 7 LYS HE2 H 1 3.139 0.000 . . . . . . . 7 LYS HE2 . 21058 1
57 . 1 1 7 7 LYS HE3 H 1 3.139 0.000 . . . . . . . 7 LYS HE3 . 21058 1
58 . 1 1 7 7 LYS HG2 H 1 1.635 0.003 . . . . . . . 7 LYS HG2 . 21058 1
59 . 1 1 7 7 LYS HG3 H 1 1.635 0.003 . . . . . . . 7 LYS HG3 . 21058 1
60 . 1 1 8 8 ILE H H 1 7.949 0.003 . 1 . . . . . 8 ILE H . 21058 1
61 . 1 1 8 8 ILE HA H 1 4.207 0.002 . 1 . . . . . 8 ILE HA . 21058 1
62 . 1 1 8 8 ILE HB H 1 2.289 0.001 . 1 . . . . . 8 ILE HB . 21058 1
63 . 1 1 8 8 ILE HD11 H 1 1.121 0.006 . 1 . . . . . 8 ILE MD . 21058 1
64 . 1 1 8 8 ILE HD12 H 1 1.121 0.006 . 1 . . . . . 8 ILE MD . 21058 1
65 . 1 1 8 8 ILE HD13 H 1 1.121 0.006 . 1 . . . . . 8 ILE MD . 21058 1
66 . 1 1 8 8 ILE HG12 H 1 2.027 0.006 . . . . . . . 8 ILE HG12 . 21058 1
67 . 1 1 8 8 ILE HG13 H 1 1.848 0.003 . . . . . . . 8 ILE HG13 . 21058 1
68 . 1 1 8 8 ILE HG21 H 1 1.396 0.004 . 1 . . . . . 8 ILE MG . 21058 1
69 . 1 1 8 8 ILE HG22 H 1 1.396 0.004 . 1 . . . . . 8 ILE MG . 21058 1
70 . 1 1 8 8 ILE HG23 H 1 1.396 0.004 . 1 . . . . . 8 ILE MG . 21058 1
71 . 1 1 9 9 PRO HA H 1 4.435 0.003 . 1 . . . . . 9 PRO HA . 21058 1
72 . 1 1 9 9 PRO HB2 H 1 2.562 0.002 . . . . . . . 9 PRO HB2 . 21058 1
73 . 1 1 9 9 PRO HB3 H 1 2.285 0.002 . . . . . . . 9 PRO HB3 . 21058 1
74 . 1 1 9 9 PRO HD2 H 1 3.971 0.002 . . . . . . . 9 PRO HD2 . 21058 1
75 . 1 1 9 9 PRO HD3 H 1 3.819 0.003 . . . . . . . 9 PRO HD3 . 21058 1
76 . 1 1 9 9 PRO HG2 H 1 2.054 0.002 . . . . . . . 9 PRO HG2 . 21058 1
77 . 1 1 9 9 PRO HG3 H 1 2.054 0.002 . . . . . . . 9 PRO HG3 . 21058 1
78 . 1 1 10 10 LYS H H 1 8.008 0.001 . 1 . . . . . 10 LYS H . 21058 1
79 . 1 1 10 10 LYS HA H 1 4.22 0.003 . 1 . . . . . 10 LYS HA . 21058 1
80 . 1 1 10 10 LYS HB2 H 1 2.056 0.002 . . . . . . . 10 LYS HB2 . 21058 1
81 . 1 1 10 10 LYS HB3 H 1 2.056 0.002 . . . . . . . 10 LYS HB3 . 21058 1
82 . 1 1 10 10 LYS HD2 H 1 1.686 0.000 . . . . . . . 10 LYS HD2 . 21058 1
83 . 1 1 10 10 LYS HD3 H 1 1.686 0.000 . . . . . . . 10 LYS HD3 . 21058 1
84 . 1 1 10 10 LYS HE2 H 1 3.153 0.000 . . . . . . . 10 LYS HE2 . 21058 1
85 . 1 1 10 10 LYS HE3 H 1 3.153 0.000 . . . . . . . 10 LYS HE3 . 21058 1
86 . 1 1 10 10 LYS HG2 H 1 1.608 0.002 . . . . . . . 10 LYS HG2 . 21058 1
87 . 1 1 10 10 LYS HG3 H 1 1.608 0.002 . . . . . . . 10 LYS HG3 . 21058 1
88 . 1 1 11 11 PHE H H 1 8.279 0.002 . 1 . . . . . 11 PHE H . 21058 1
89 . 1 1 11 11 PHE HA H 1 4.669 0.002 . 1 . . . . . 11 PHE HA . 21058 1
90 . 1 1 11 11 PHE HB2 H 1 3.405 0.002 . . . . . . . 11 PHE HB2 . 21058 1
91 . 1 1 11 11 PHE HB3 H 1 3.405 0.002 . . . . . . . 11 PHE HB3 . 21058 1
92 . 1 1 11 11 PHE HD1 H 1 7.433 0.002 . . . . . . . 11 PHE HD1 . 21058 1
93 . 1 1 11 11 PHE HD2 H 1 7.433 0.002 . . . . . . . 11 PHE HD2 . 21058 1
94 . 1 1 11 11 PHE HE1 H 1 7.392 0.001 . . . . . . . 11 PHE HE1 . 21058 1
95 . 1 1 11 11 PHE HE2 H 1 7.392 0.001 . . . . . . . 11 PHE HE2 . 21058 1
96 . 1 1 11 11 PHE HZ H 1 7.303 0.000 . 1 . . . . . 11 PHE HZ . 21058 1
97 . 1 1 12 12 LEU H H 1 8.129 0.003 . 1 . . . . . 12 LEU H . 21058 1
98 . 1 1 12 12 LEU HA H 1 4.217 0.002 . 1 . . . . . 12 LEU HA . 21058 1
99 . 1 1 12 12 LEU HB2 H 1 1.863 0.005 . . . . . . . 12 LEU HB2 . 21058 1
100 . 1 1 12 12 LEU HB3 H 1 1.863 0.005 . . . . . . . 12 LEU HB3 . 21058 1
101 . 1 1 12 12 LEU HD11 H 1 1.049 0.004 . . . . . . . 12 LEU MD1 . 21058 1
102 . 1 1 12 12 LEU HD12 H 1 1.049 0.004 . . . . . . . 12 LEU MD1 . 21058 1
103 . 1 1 12 12 LEU HD13 H 1 1.049 0.004 . . . . . . . 12 LEU MD1 . 21058 1
104 . 1 1 12 12 LEU HD21 H 1 1.049 0.004 . . . . . . . 12 LEU MD2 . 21058 1
105 . 1 1 12 12 LEU HD22 H 1 1.049 0.004 . . . . . . . 12 LEU MD2 . 21058 1
106 . 1 1 12 12 LEU HD23 H 1 1.049 0.004 . . . . . . . 12 LEU MD2 . 21058 1
107 . 1 1 12 12 LEU HG H 1 1.677 0.005 . 1 . . . . . 12 LEU HG . 21058 1
108 . 1 1 13 13 HIS H H 1 8.204 0.002 . 1 . . . . . 13 HIS H . 21058 1
109 . 1 1 13 13 HIS HA H 1 4.611 0.002 . 1 . . . . . 13 HIS HA . 21058 1
110 . 1 1 13 13 HIS HB2 H 1 3.476 0.003 . . . . . . . 13 HIS HB2 . 21058 1
111 . 1 1 13 13 HIS HB3 H 1 3.476 0.003 . . . . . . . 13 HIS HB3 . 21058 1
112 . 1 1 13 13 HIS HD2 H 1 7.364 0.001 . 1 . . . . . 13 HIS HD2 . 21058 1
113 . 1 1 13 13 HIS HE1 H 1 8.476 0.001 . 1 . . . . . 13 HIS HE1 . 21058 1
114 . 1 1 14 14 SER H H 1 8.169 0.002 . 1 . . . . . 14 SER H . 21058 1
115 . 1 1 14 14 SER HA H 1 4.502 0.002 . 1 . . . . . 14 SER HA . 21058 1
116 . 1 1 14 14 SER HB2 H 1 4.147 0.004 . . . . . . . 14 SER HB2 . 21058 1
117 . 1 1 14 14 SER HB3 H 1 4.096 0.003 . . . . . . . 14 SER HB3 . 21058 1
118 . 1 1 15 15 ALA H H 1 8.257 0.004 . 1 . . . . . 15 ALA H . 21058 1
119 . 1 1 15 15 ALA HA H 1 4.305 0.001 . 1 . . . . . 15 ALA HA . 21058 1
120 . 1 1 15 15 ALA HB1 H 1 1.548 0.002 . 1 . . . . . 15 ALA MB . 21058 1
121 . 1 1 15 15 ALA HB2 H 1 1.548 0.002 . 1 . . . . . 15 ALA MB . 21058 1
122 . 1 1 15 15 ALA HB3 H 1 1.548 0.002 . 1 . . . . . 15 ALA MB . 21058 1
123 . 1 1 16 16 LYS H H 1 8.055 0.002 . 1 . . . . . 16 LYS H . 21058 1
124 . 1 1 16 16 LYS HA H 1 4.244 0.003 . 1 . . . . . 16 LYS HA . 21058 1
125 . 1 1 16 16 LYS HB2 H 1 1.997 0.005 . . . . . . . 16 LYS HB2 . 21058 1
126 . 1 1 16 16 LYS HB3 H 1 1.997 0.005 . . . . . . . 16 LYS HB3 . 21058 1
127 . 1 1 16 16 LYS HD2 H 1 1.853 0.001 . . . . . . . 16 LYS HD2 . 21058 1
128 . 1 1 16 16 LYS HD3 H 1 1.853 0.001 . . . . . . . 16 LYS HD3 . 21058 1
129 . 1 1 16 16 LYS HE2 H 1 3.119 0.000 . . . . . . . 16 LYS HE2 . 21058 1
130 . 1 1 16 16 LYS HE3 H 1 3.119 0.000 . . . . . . . 16 LYS HE3 . 21058 1
131 . 1 1 16 16 LYS HG2 H 1 1.658 0.004 . . . . . . . 16 LYS HG2 . 21058 1
132 . 1 1 16 16 LYS HG3 H 1 1.658 0.004 . . . . . . . 16 LYS HG3 . 21058 1
133 . 1 1 17 17 LYS H H 1 7.938 0.002 . 1 . . . . . 17 LYS H . 21058 1
134 . 1 1 17 17 LYS HA H 1 4.302 0.003 . 1 . . . . . 17 LYS HA . 21058 1
135 . 1 1 17 17 LYS HB2 H 1 1.852 0.002 . . . . . . . 17 LYS HB2 . 21058 1
136 . 1 1 17 17 LYS HB3 H 1 1.852 0.002 . . . . . . . 17 LYS HB3 . 21058 1
137 . 1 1 17 17 LYS HD2 H 1 1.756 0.005 . . . . . . . 17 LYS HD2 . 21058 1
138 . 1 1 17 17 LYS HD3 H 1 1.756 0.005 . . . . . . . 17 LYS HD3 . 21058 1
139 . 1 1 17 17 LYS HE2 H 1 3.057 0.000 . . . . . . . 17 LYS HE2 . 21058 1
140 . 1 1 17 17 LYS HE3 H 1 3.057 0.000 . . . . . . . 17 LYS HE3 . 21058 1
141 . 1 1 17 17 LYS HG2 H 1 1.402 0.001 . . . . . . . 17 LYS HG2 . 21058 1
142 . 1 1 17 17 LYS HG3 H 1 1.402 0.001 . . . . . . . 17 LYS HG3 . 21058 1
143 . 1 1 18 18 PHE H H 1 8.031 0.001 . 1 . . . . . 18 PHE H . 21058 1
144 . 1 1 18 18 PHE HA H 1 4.658 0.002 . 1 . . . . . 18 PHE HA . 21058 1
145 . 1 1 18 18 PHE HB2 H 1 3.415 0.002 . . . . . . . 18 PHE HB2 . 21058 1
146 . 1 1 18 18 PHE HB3 H 1 3.212 0.003 . . . . . . . 18 PHE HB3 . 21058 1
147 . 1 1 18 18 PHE HD1 H 1 7.475 0.000 . . . . . . . 18 PHE HD1 . 21058 1
148 . 1 1 18 18 PHE HD2 H 1 7.5 0.004 . . . . . . . 18 PHE HD2 . 21058 1
149 . 1 1 18 18 PHE HE1 H 1 7.254 0.003 . . . . . . . 18 PHE HE1 . 21058 1
150 . 1 1 18 18 PHE HE2 H 1 7.254 0.003 . . . . . . . 18 PHE HE2 . 21058 1
151 . 1 1 18 18 PHE HZ H 1 7.418 0.000 . 1 . . . . . 18 PHE HZ . 21058 1
stop_
save_