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 34252
_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' . . . 34252 1
2 '2D 1H-1H NOESY' . . . 34252 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 PHE HA H 1 4.302 0.001 . . . . . . A 1 PHE HA . 34252 1
2 . 1 . 1 1 1 PHE HB2 H 1 3.176 0.010 . . . . . . A 1 PHE HB2 . 34252 1
3 . 1 . 1 1 1 PHE HB3 H 1 3.314 0.007 . . . . . . A 1 PHE HB3 . 34252 1
4 . 1 . 1 1 1 PHE HD1 H 1 7.308 0.003 . . . . . . A 1 PHE HD1 . 34252 1
5 . 1 . 1 1 1 PHE HD2 H 1 7.308 0.003 . . . . . . A 1 PHE HD2 . 34252 1
6 . 1 . 1 2 2 LEU HA H 1 4.368 0.002 . . . . . . A 2 LEU HA . 34252 1
7 . 1 . 1 3 3 PRO HA H 1 4.348 0.003 . . . . . . A 3 PRO HA . 34252 1
8 . 1 . 1 3 3 PRO HB2 H 1 2.361 0.001 . . . . . . A 3 PRO HB2 . 34252 1
9 . 1 . 1 3 3 PRO HB3 H 1 2.000 0.000 . . . . . . A 3 PRO HB3 . 34252 1
10 . 1 . 1 3 3 PRO HG2 H 1 2.117 0.000 . . . . . . A 3 PRO HG2 . 34252 1
11 . 1 . 1 3 3 PRO HG3 H 1 2.117 0.000 . . . . . . A 3 PRO HG3 . 34252 1
12 . 1 . 1 3 3 PRO HD2 H 1 3.748 0.001 . . . . . . A 3 PRO HD2 . 34252 1
13 . 1 . 1 3 3 PRO HD3 H 1 3.812 0.003 . . . . . . A 3 PRO HD3 . 34252 1
14 . 1 . 1 4 4 ILE H H 1 8.261 0.003 . . . . . . A 4 ILE H . 34252 1
15 . 1 . 1 4 4 ILE HA H 1 4.057 0.005 . . . . . . A 4 ILE HA . 34252 1
16 . 1 . 1 4 4 ILE HB H 1 1.994 0.003 . . . . . . A 4 ILE HB . 34252 1
17 . 1 . 1 4 4 ILE HG12 H 1 1.285 0.006 . . . . . . A 4 ILE HG12 . 34252 1
18 . 1 . 1 4 4 ILE HG13 H 1 1.583 0.000 . . . . . . A 4 ILE HG13 . 34252 1
19 . 1 . 1 5 5 LEU H H 1 7.788 0.003 . . . . . . A 5 LEU H . 34252 1
20 . 1 . 1 5 5 LEU HA H 1 4.058 0.002 . . . . . . A 5 LEU HA . 34252 1
21 . 1 . 1 5 5 LEU HB2 H 1 1.755 0.000 . . . . . . A 5 LEU HB2 . 34252 1
22 . 1 . 1 5 5 LEU HB3 H 1 1.755 0.000 . . . . . . A 5 LEU HB3 . 34252 1
23 . 1 . 1 5 5 LEU HG H 1 1.611 0.000 . . . . . . A 5 LEU HG . 34252 1
24 . 1 . 1 5 5 LEU HD11 H 1 0.953 0.000 . . . . . . A 5 LEU HD11 . 34252 1
25 . 1 . 1 5 5 LEU HD12 H 1 0.953 0.000 . . . . . . A 5 LEU HD12 . 34252 1
26 . 1 . 1 5 5 LEU HD13 H 1 0.953 0.000 . . . . . . A 5 LEU HD13 . 34252 1
27 . 1 . 1 6 6 ALA H H 1 8.217 0.003 . . . . . . A 6 ALA H . 34252 1
28 . 1 . 1 6 6 ALA HA H 1 4.014 0.002 . . . . . . A 6 ALA HA . 34252 1
29 . 1 . 1 6 6 ALA HB1 H 1 1.526 0.034 . . . . . . A 6 ALA HB1 . 34252 1
30 . 1 . 1 6 6 ALA HB2 H 1 1.526 0.034 . . . . . . A 6 ALA HB2 . 34252 1
31 . 1 . 1 6 6 ALA HB3 H 1 1.526 0.034 . . . . . . A 6 ALA HB3 . 34252 1
32 . 1 . 1 7 7 SER H H 1 7.971 0.002 . . . . . . A 7 SER H . 34252 1
33 . 1 . 1 7 7 SER HA H 1 4.251 0.003 . . . . . . A 7 SER HA . 34252 1
34 . 1 . 1 7 7 SER HB2 H 1 4.011 0.002 . . . . . . A 7 SER HB2 . 34252 1
35 . 1 . 1 7 7 SER HB3 H 1 3.961 0.005 . . . . . . A 7 SER HB3 . 34252 1
36 . 1 . 1 8 8 LEU H H 1 8.142 0.001 . . . . . . A 8 LEU H . 34252 1
37 . 1 . 1 8 8 LEU HA H 1 4.197 0.005 . . . . . . A 8 LEU HA . 34252 1
38 . 1 . 1 8 8 LEU HB2 H 1 1.501 0.004 . . . . . . A 8 LEU HB2 . 34252 1
39 . 1 . 1 8 8 LEU HB3 H 1 2.026 0.006 . . . . . . A 8 LEU HB3 . 34252 1
40 . 1 . 1 8 8 LEU HG H 1 1.559 0.002 . . . . . . A 8 LEU HG . 34252 1
41 . 1 . 1 8 8 LEU HD21 H 1 0.985 0.002 . . . . . . A 8 LEU HD21 . 34252 1
42 . 1 . 1 8 8 LEU HD22 H 1 0.985 0.002 . . . . . . A 8 LEU HD22 . 34252 1
43 . 1 . 1 8 8 LEU HD23 H 1 0.985 0.002 . . . . . . A 8 LEU HD23 . 34252 1
44 . 1 . 1 9 9 ALA H H 1 8.565 0.001 . . . . . . A 9 ALA H . 34252 1
45 . 1 . 1 9 9 ALA HA H 1 3.924 0.002 . . . . . . A 9 ALA HA . 34252 1
46 . 1 . 1 9 9 ALA HB1 H 1 1.492 0.001 . . . . . . A 9 ALA HB1 . 34252 1
47 . 1 . 1 9 9 ALA HB2 H 1 1.492 0.001 . . . . . . A 9 ALA HB2 . 34252 1
48 . 1 . 1 9 9 ALA HB3 H 1 1.492 0.001 . . . . . . A 9 ALA HB3 . 34252 1
49 . 1 . 1 10 10 ALA H H 1 7.924 0.002 . . . . . . A 10 ALA H . 34252 1
50 . 1 . 1 10 10 ALA HA H 1 4.069 0.004 . . . . . . A 10 ALA HA . 34252 1
51 . 1 . 1 10 10 ALA HB1 H 1 1.498 0.002 . . . . . . A 10 ALA HB1 . 34252 1
52 . 1 . 1 10 10 ALA HB2 H 1 1.498 0.002 . . . . . . A 10 ALA HB2 . 34252 1
53 . 1 . 1 10 10 ALA HB3 H 1 1.498 0.002 . . . . . . A 10 ALA HB3 . 34252 1
54 . 1 . 1 11 11 LYS H H 1 7.553 0.002 . . . . . . A 11 LYS H . 34252 1
55 . 1 . 1 11 11 LYS HA H 1 4.063 0.003 . . . . . . A 11 LYS HA . 34252 1
56 . 1 . 1 11 11 LYS HB2 H 1 1.393 0.008 . . . . . . A 11 LYS HB2 . 34252 1
57 . 1 . 1 11 11 LYS HB3 H 1 1.653 0.002 . . . . . . A 11 LYS HB3 . 34252 1
58 . 1 . 1 11 11 LYS HD2 H 1 0.641 0.003 . . . . . . A 11 LYS HD2 . 34252 1
59 . 1 . 1 11 11 LYS HD3 H 1 1.051 0.003 . . . . . . A 11 LYS HD3 . 34252 1
60 . 1 . 1 11 11 LYS HE2 H 1 2.747 0.000 . . . . . . A 11 LYS HE2 . 34252 1
61 . 1 . 1 11 11 LYS HE3 H 1 2.747 0.000 . . . . . . A 11 LYS HE3 . 34252 1
62 . 1 . 1 12 12 PHE H H 1 8.334 0.002 . . . . . . A 12 PHE H . 34252 1
63 . 1 . 1 12 12 PHE HB2 H 1 2.862 0.000 . . . . . . A 12 PHE HB2 . 34252 1
64 . 1 . 1 12 12 PHE HB3 H 1 3.219 0.003 . . . . . . A 12 PHE HB3 . 34252 1
65 . 1 . 1 12 12 PHE HD1 H 1 7.286 0.003 . . . . . . A 12 PHE HD1 . 34252 1
66 . 1 . 1 12 12 PHE HD2 H 1 7.286 0.003 . . . . . . A 12 PHE HD2 . 34252 1
67 . 1 . 1 12 12 PHE HE1 H 1 7.321 0.001 . . . . . . A 12 PHE HE1 . 34252 1
68 . 1 . 1 12 12 PHE HE2 H 1 7.321 0.001 . . . . . . A 12 PHE HE2 . 34252 1
69 . 1 . 1 13 13 GLY H H 1 8.409 0.002 . . . . . . A 13 GLY H . 34252 1
70 . 1 . 1 13 13 GLY HA2 H 1 3.816 0.007 . . . . . . A 13 GLY HA2 . 34252 1
71 . 1 . 1 13 13 GLY HA3 H 1 4.245 0.000 . . . . . . A 13 GLY HA3 . 34252 1
72 . 1 . 1 14 14 PRO HA H 1 4.236 0.002 . . . . . . A 14 PRO HA . 34252 1
73 . 1 . 1 14 14 PRO HB2 H 1 1.894 0.005 . . . . . . A 14 PRO HB2 . 34252 1
74 . 1 . 1 14 14 PRO HB3 H 1 2.444 0.001 . . . . . . A 14 PRO HB3 . 34252 1
75 . 1 . 1 14 14 PRO HG2 H 1 2.203 0.001 . . . . . . A 14 PRO HG2 . 34252 1
76 . 1 . 1 14 14 PRO HG3 H 1 2.203 0.001 . . . . . . A 14 PRO HG3 . 34252 1
77 . 1 . 1 14 14 PRO HD2 H 1 3.543 0.003 . . . . . . A 14 PRO HD2 . 34252 1
78 . 1 . 1 14 14 PRO HD3 H 1 3.700 0.003 . . . . . . A 14 PRO HD3 . 34252 1
79 . 1 . 1 15 15 LYS H H 1 7.309 0.005 . . . . . . A 15 LYS H . 34252 1
80 . 1 . 1 15 15 LYS HA H 1 4.157 0.008 . . . . . . A 15 LYS HA . 34252 1
81 . 1 . 1 15 15 LYS HB2 H 1 1.952 0.002 . . . . . . A 15 LYS HB2 . 34252 1
82 . 1 . 1 15 15 LYS HB3 H 1 2.059 0.001 . . . . . . A 15 LYS HB3 . 34252 1
83 . 1 . 1 15 15 LYS HD2 H 1 1.777 0.000 . . . . . . A 15 LYS HD2 . 34252 1
84 . 1 . 1 15 15 LYS HD3 H 1 1.777 0.000 . . . . . . A 15 LYS HD3 . 34252 1
85 . 1 . 1 15 15 LYS HE2 H 1 2.977 0.000 . . . . . . A 15 LYS HE2 . 34252 1
86 . 1 . 1 15 15 LYS HE3 H 1 2.977 0.000 . . . . . . A 15 LYS HE3 . 34252 1
87 . 1 . 1 16 16 LEU H H 1 8.213 0.001 . . . . . . A 16 LEU H . 34252 1
88 . 1 . 1 16 16 LEU HA H 1 4.100 0.005 . . . . . . A 16 LEU HA . 34252 1
89 . 1 . 1 16 16 LEU HB2 H 1 1.777 0.001 . . . . . . A 16 LEU HB2 . 34252 1
90 . 1 . 1 16 16 LEU HB3 H 1 1.777 0.001 . . . . . . A 16 LEU HB3 . 34252 1
91 . 1 . 1 16 16 LEU HD11 H 1 0.906 0.000 . . . . . . A 16 LEU HD11 . 34252 1
92 . 1 . 1 16 16 LEU HD12 H 1 0.906 0.000 . . . . . . A 16 LEU HD12 . 34252 1
93 . 1 . 1 16 16 LEU HD13 H 1 0.906 0.000 . . . . . . A 16 LEU HD13 . 34252 1
94 . 1 . 1 17 17 PHE H H 1 8.650 0.001 . . . . . . A 17 PHE H . 34252 1
95 . 1 . 1 17 17 PHE HA H 1 4.044 0.002 . . . . . . A 17 PHE HA . 34252 1
96 . 1 . 1 17 17 PHE HB2 H 1 3.092 0.007 . . . . . . A 17 PHE HB2 . 34252 1
97 . 1 . 1 17 17 PHE HB3 H 1 3.354 0.002 . . . . . . A 17 PHE HB3 . 34252 1
98 . 1 . 1 17 17 PHE HD1 H 1 7.121 0.001 . . . . . . A 17 PHE HD1 . 34252 1
99 . 1 . 1 17 17 PHE HD2 H 1 7.121 0.001 . . . . . . A 17 PHE HD2 . 34252 1
100 . 1 . 1 17 17 PHE HE1 H 1 7.280 0.000 . . . . . . A 17 PHE HE1 . 34252 1
101 . 1 . 1 17 17 PHE HE2 H 1 7.280 0.000 . . . . . . A 17 PHE HE2 . 34252 1
102 . 1 . 1 18 18 CYS H H 1 8.217 0.002 . . . . . . A 18 CYS H . 34252 1
103 . 1 . 1 18 18 CYS HA H 1 4.304 0.003 . . . . . . A 18 CYS HA . 34252 1
104 . 1 . 1 18 18 CYS HB2 H 1 3.116 0.003 . . . . . . A 18 CYS HB2 . 34252 1
105 . 1 . 1 18 18 CYS HB3 H 1 3.241 0.004 . . . . . . A 18 CYS HB3 . 34252 1
106 . 1 . 1 19 19 LEU H H 1 8.102 0.002 . . . . . . A 19 LEU H . 34252 1
107 . 1 . 1 19 19 LEU HA H 1 4.153 0.005 . . . . . . A 19 LEU HA . 34252 1
108 . 1 . 1 19 19 LEU HB2 H 1 1.930 0.001 . . . . . . A 19 LEU HB2 . 34252 1
109 . 1 . 1 19 19 LEU HB3 H 1 1.795 0.004 . . . . . . A 19 LEU HB3 . 34252 1
110 . 1 . 1 19 19 LEU HG H 1 1.674 0.003 . . . . . . A 19 LEU HG . 34252 1
111 . 1 . 1 19 19 LEU HD11 H 1 0.912 0.000 . . . . . . A 19 LEU HD11 . 34252 1
112 . 1 . 1 19 19 LEU HD12 H 1 0.912 0.000 . . . . . . A 19 LEU HD12 . 34252 1
113 . 1 . 1 19 19 LEU HD13 H 1 0.912 0.000 . . . . . . A 19 LEU HD13 . 34252 1
114 . 1 . 1 19 19 LEU HD21 H 1 0.912 0.000 . . . . . . A 19 LEU HD21 . 34252 1
115 . 1 . 1 19 19 LEU HD22 H 1 0.912 0.000 . . . . . . A 19 LEU HD22 . 34252 1
116 . 1 . 1 19 19 LEU HD23 H 1 0.912 0.000 . . . . . . A 19 LEU HD23 . 34252 1
117 . 1 . 1 20 20 VAL H H 1 7.910 0.003 . . . . . . A 20 VAL H . 34252 1
118 . 1 . 1 20 20 VAL HA H 1 3.861 0.002 . . . . . . A 20 VAL HA . 34252 1
119 . 1 . 1 20 20 VAL HB H 1 2.049 0.007 . . . . . . A 20 VAL HB . 34252 1
120 . 1 . 1 20 20 VAL HG11 H 1 1.023 0.002 . . . . . . A 20 VAL HG11 . 34252 1
121 . 1 . 1 20 20 VAL HG12 H 1 1.023 0.002 . . . . . . A 20 VAL HG12 . 34252 1
122 . 1 . 1 20 20 VAL HG13 H 1 1.023 0.002 . . . . . . A 20 VAL HG13 . 34252 1
123 . 1 . 1 21 21 THR H H 1 7.680 0.007 . . . . . . A 21 THR H . 34252 1
124 . 1 . 1 21 21 THR HA H 1 4.116 0.002 . . . . . . A 21 THR HA . 34252 1
125 . 1 . 1 21 21 THR HB H 1 3.988 0.001 . . . . . . A 21 THR HB . 34252 1
126 . 1 . 1 21 21 THR HG21 H 1 0.814 0.002 . . . . . . A 21 THR HG21 . 34252 1
127 . 1 . 1 21 21 THR HG22 H 1 0.814 0.002 . . . . . . A 21 THR HG22 . 34252 1
128 . 1 . 1 21 21 THR HG23 H 1 0.814 0.002 . . . . . . A 21 THR HG23 . 34252 1
129 . 1 . 1 22 22 LYS H H 1 7.951 0.002 . . . . . . A 22 LYS H . 34252 1
130 . 1 . 1 22 22 LYS HA H 1 4.161 0.001 . . . . . . A 22 LYS HA . 34252 1
131 . 1 . 1 22 22 LYS HB2 H 1 2.059 0.001 . . . . . . A 22 LYS HB2 . 34252 1
132 . 1 . 1 22 22 LYS HB3 H 1 2.059 0.001 . . . . . . A 22 LYS HB3 . 34252 1
133 . 1 . 1 22 22 LYS HD2 H 1 1.371 0.000 . . . . . . A 22 LYS HD2 . 34252 1
134 . 1 . 1 22 22 LYS HD3 H 1 1.371 0.000 . . . . . . A 22 LYS HD3 . 34252 1
135 . 1 . 1 23 23 LYS H H 1 7.670 0.002 . . . . . . A 23 LYS H . 34252 1
136 . 1 . 1 23 23 LYS HA H 1 4.400 0.000 . . . . . . A 23 LYS HA . 34252 1
137 . 1 . 1 23 23 LYS HB2 H 1 1.984 0.004 . . . . . . A 23 LYS HB2 . 34252 1
138 . 1 . 1 23 23 LYS HB3 H 1 1.636 0.000 . . . . . . A 23 LYS HB3 . 34252 1
139 . 1 . 1 23 23 LYS HG2 H 1 1.377 0.001 . . . . . . A 23 LYS HG2 . 34252 1
140 . 1 . 1 23 23 LYS HG3 H 1 1.377 0.001 . . . . . . A 23 LYS HG3 . 34252 1
141 . 1 . 1 23 23 LYS HD2 H 1 1.697 0.000 . . . . . . A 23 LYS HD2 . 34252 1
142 . 1 . 1 23 23 LYS HD3 H 1 1.697 0.000 . . . . . . A 23 LYS HD3 . 34252 1
143 . 1 . 1 23 23 LYS HE2 H 1 2.998 0.003 . . . . . . A 23 LYS HE2 . 34252 1
144 . 1 . 1 23 23 LYS HE3 H 1 2.998 0.003 . . . . . . A 23 LYS HE3 . 34252 1
145 . 1 . 1 24 24 CYS H H 1 7.803 0.003 . . . . . . A 24 CYS H . 34252 1
146 . 1 . 1 24 24 CYS HA H 1 4.423 0.009 . . . . . . A 24 CYS HA . 34252 1
147 . 1 . 1 24 24 CYS HB2 H 1 3.418 0.006 . . . . . . A 24 CYS HB2 . 34252 1
148 . 1 . 1 24 24 CYS HB3 H 1 3.418 0.006 . . . . . . A 24 CYS HB3 . 34252 1
stop_
save_