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 30975
_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 NOESY' . . . 30975 1
2 '2D 1H-1H COSY' . . . 30975 1
3 '2D 1H-1H TOCSY' . . . 30975 1
4 '2D 1H-13C HSQC' . . . 30975 1
5 '2D 1H-15N HSQC' . . . 30975 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 THR HA H 1 4.257 0.020 . 1 . . . . A 1 THR HA . 30975 1
2 . 1 . 1 1 1 THR HG21 H 1 1.370 0.020 . 1 . . . . A 1 THR HG21 . 30975 1
3 . 1 . 1 1 1 THR HG22 H 1 1.370 0.020 . 1 . . . . A 1 THR HG22 . 30975 1
4 . 1 . 1 1 1 THR HG23 H 1 1.370 0.020 . 1 . . . . A 1 THR HG23 . 30975 1
5 . 1 . 1 1 1 THR CA C 13 68.646 0.400 . 1 . . . . A 1 THR CA . 30975 1
6 . 1 . 1 2 2 PRO HA H 1 4.486 0.020 . 1 . . . . A 2 PRO HA . 30975 1
7 . 1 . 1 2 2 PRO HB2 H 1 2.356 0.020 . 2 . . . . A 2 PRO HB2 . 30975 1
8 . 1 . 1 2 2 PRO HB3 H 1 1.907 0.020 . 2 . . . . A 2 PRO HB3 . 30975 1
9 . 1 . 1 2 2 PRO HG2 H 1 2.064 0.020 . 2 . . . . A 2 PRO HG2 . 30975 1
10 . 1 . 1 2 2 PRO HG3 H 1 1.990 0.020 . 2 . . . . A 2 PRO HG3 . 30975 1
11 . 1 . 1 2 2 PRO HD2 H 1 3.806 0.020 . 2 . . . . A 2 PRO HD2 . 30975 1
12 . 1 . 1 2 2 PRO HD3 H 1 3.697 0.020 . 2 . . . . A 2 PRO HD3 . 30975 1
13 . 1 . 1 2 2 PRO CA C 13 63.538 0.400 . 1 . . . . A 2 PRO CA . 30975 1
14 . 1 . 1 3 3 GLU H H 1 8.549 0.020 . 1 . . . . A 3 GLU H . 30975 1
15 . 1 . 1 3 3 GLU HA H 1 4.288 0.020 . 1 . . . . A 3 GLU HA . 30975 1
16 . 1 . 1 3 3 GLU HB2 H 1 2.040 0.020 . 2 . . . . A 3 GLU HB2 . 30975 1
17 . 1 . 1 3 3 GLU HB3 H 1 1.959 0.020 . 2 . . . . A 3 GLU HB3 . 30975 1
18 . 1 . 1 3 3 GLU HG2 H 1 2.474 0.020 . 2 . . . . A 3 GLU HG2 . 30975 1
19 . 1 . 1 3 3 GLU HG3 H 1 2.474 0.020 . 2 . . . . A 3 GLU HG3 . 30975 1
20 . 1 . 1 3 3 GLU N N 15 120.677 0.400 . 1 . . . . A 3 GLU N . 30975 1
21 . 1 . 1 4 4 GLU H H 1 8.367 0.020 . 1 . . . . A 4 GLU H . 30975 1
22 . 1 . 1 4 4 GLU HA H 1 4.284 0.020 . 1 . . . . A 4 GLU HA . 30975 1
23 . 1 . 1 4 4 GLU HB2 H 1 1.969 0.020 . 2 . . . . A 4 GLU HB2 . 30975 1
24 . 1 . 1 4 4 GLU HB3 H 1 2.030 0.020 . 2 . . . . A 4 GLU HB3 . 30975 1
25 . 1 . 1 4 4 GLU HG2 H 1 2.419 0.020 . 2 . . . . A 4 GLU HG2 . 30975 1
26 . 1 . 1 4 4 GLU HG3 H 1 2.419 0.020 . 2 . . . . A 4 GLU HG3 . 30975 1
27 . 1 . 1 4 4 GLU N N 15 121.630 0.400 . 1 . . . . A 4 GLU N . 30975 1
28 . 1 . 1 5 5 HIS H H 1 8.643 0.020 . 1 . . . . A 5 HIS H . 30975 1
29 . 1 . 1 5 5 HIS HA H 1 4.639 0.020 . 1 . . . . A 5 HIS HA . 30975 1
30 . 1 . 1 5 5 HIS HB2 H 1 3.266 0.020 . 2 . . . . A 5 HIS HB2 . 30975 1
31 . 1 . 1 5 5 HIS HB3 H 1 3.190 0.020 . 2 . . . . A 5 HIS HB3 . 30975 1
32 . 1 . 1 5 5 HIS HD2 H 1 7.305 0.020 . 1 . . . . A 5 HIS HD2 . 30975 1
33 . 1 . 1 5 5 HIS HE1 H 1 8.621 0.020 . 1 . . . . A 5 HIS HE1 . 30975 1
34 . 1 . 1 5 5 HIS CA C 13 55.675 0.400 . 1 . . . . A 5 HIS CA . 30975 1
35 . 1 . 1 5 5 HIS N N 15 119.371 0.400 . 1 . . . . A 5 HIS N . 30975 1
36 . 1 . 1 6 6 ASP H H 1 8.505 0.020 . 1 . . . . A 6 ASP H . 30975 1
37 . 1 . 1 6 6 ASP HA H 1 4.616 0.020 . 1 . . . . A 6 ASP HA . 30975 1
38 . 1 . 1 6 6 ASP HB2 H 1 2.832 0.020 . 2 . . . . A 6 ASP HB2 . 30975 1
39 . 1 . 1 6 6 ASP HB3 H 1 2.910 0.020 . 2 . . . . A 6 ASP HB3 . 30975 1
40 . 1 . 1 6 6 ASP N N 15 119.724 0.400 . 1 . . . . A 6 ASP N . 30975 1
41 . 1 . 1 7 7 LEU H H 1 8.253 0.020 . 1 . . . . A 7 LEU H . 30975 1
42 . 1 . 1 7 7 LEU HA H 1 4.282 0.020 . 1 . . . . A 7 LEU HA . 30975 1
43 . 1 . 1 7 7 LEU HB2 H 1 1.623 0.020 . 2 . . . . A 7 LEU HB2 . 30975 1
44 . 1 . 1 7 7 LEU HB3 H 1 1.623 0.020 . 2 . . . . A 7 LEU HB3 . 30975 1
45 . 1 . 1 7 7 LEU HG H 1 1.666 0.020 . 1 . . . . A 7 LEU HG . 30975 1
46 . 1 . 1 7 7 LEU HD11 H 1 0.922 0.020 . 2 . . . . A 7 LEU HD11 . 30975 1
47 . 1 . 1 7 7 LEU HD12 H 1 0.922 0.020 . 2 . . . . A 7 LEU HD12 . 30975 1
48 . 1 . 1 7 7 LEU HD13 H 1 0.922 0.020 . 2 . . . . A 7 LEU HD13 . 30975 1
49 . 1 . 1 7 7 LEU HD21 H 1 0.863 0.020 . 2 . . . . A 7 LEU HD21 . 30975 1
50 . 1 . 1 7 7 LEU HD22 H 1 0.863 0.020 . 2 . . . . A 7 LEU HD22 . 30975 1
51 . 1 . 1 7 7 LEU HD23 H 1 0.863 0.020 . 2 . . . . A 7 LEU HD23 . 30975 1
52 . 1 . 1 7 7 LEU N N 15 122.583 0.400 . 1 . . . . A 7 LEU N . 30975 1
53 . 1 . 1 8 8 LEU H H 1 8.111 0.020 . 1 . . . . A 8 LEU H . 30975 1
54 . 1 . 1 8 8 LEU HA H 1 4.279 0.020 . 1 . . . . A 8 LEU HA . 30975 1
55 . 1 . 1 8 8 LEU HB2 H 1 1.600 0.020 . 2 . . . . A 8 LEU HB2 . 30975 1
56 . 1 . 1 8 8 LEU HB3 H 1 1.600 0.020 . 2 . . . . A 8 LEU HB3 . 30975 1
57 . 1 . 1 8 8 LEU HG H 1 1.679 0.020 . 1 . . . . A 8 LEU HG . 30975 1
58 . 1 . 1 8 8 LEU HD11 H 1 0.920 0.020 . 2 . . . . A 8 LEU HD11 . 30975 1
59 . 1 . 1 8 8 LEU HD12 H 1 0.920 0.020 . 2 . . . . A 8 LEU HD12 . 30975 1
60 . 1 . 1 8 8 LEU HD13 H 1 0.920 0.020 . 2 . . . . A 8 LEU HD13 . 30975 1
61 . 1 . 1 8 8 LEU HD21 H 1 0.863 0.020 . 2 . . . . A 8 LEU HD21 . 30975 1
62 . 1 . 1 8 8 LEU HD22 H 1 0.863 0.020 . 2 . . . . A 8 LEU HD22 . 30975 1
63 . 1 . 1 8 8 LEU HD23 H 1 0.863 0.020 . 2 . . . . A 8 LEU HD23 . 30975 1
64 . 1 . 1 8 8 LEU N N 15 121.455 0.400 . 1 . . . . A 8 LEU N . 30975 1
65 . 1 . 1 9 9 MET H H 1 8.113 0.020 . 1 . . . . A 9 MET H . 30975 1
66 . 1 . 1 9 9 MET HA H 1 4.409 0.020 . 1 . . . . A 9 MET HA . 30975 1
67 . 1 . 1 9 9 MET HB2 H 1 2.060 0.020 . 2 . . . . A 9 MET HB2 . 30975 1
68 . 1 . 1 9 9 MET HB3 H 1 2.002 0.020 . 2 . . . . A 9 MET HB3 . 30975 1
69 . 1 . 1 9 9 MET HG2 H 1 2.571 0.020 . 2 . . . . A 9 MET HG2 . 30975 1
70 . 1 . 1 9 9 MET HG3 H 1 2.472 0.020 . 2 . . . . A 9 MET HG3 . 30975 1
71 . 1 . 1 9 9 MET CA C 13 55.910 0.400 . 1 . . . . A 9 MET CA . 30975 1
72 . 1 . 1 9 9 MET N N 15 119.393 0.400 . 1 . . . . A 9 MET N . 30975 1
73 . 1 . 1 10 10 ASP H H 1 8.340 0.020 . 1 . . . . A 10 ASP H . 30975 1
74 . 1 . 1 10 10 ASP HA H 1 4.668 0.020 . 1 . . . . A 10 ASP HA . 30975 1
75 . 1 . 1 10 10 ASP HB2 H 1 2.862 0.020 . 2 . . . . A 10 ASP HB2 . 30975 1
76 . 1 . 1 10 10 ASP HB3 H 1 2.932 0.020 . 2 . . . . A 10 ASP HB3 . 30975 1
77 . 1 . 1 10 10 ASP CA C 13 53.332 0.400 . 1 . . . . A 10 ASP CA . 30975 1
78 . 1 . 1 11 11 LEU H H 1 8.202 0.020 . 1 . . . . A 11 LEU H . 30975 1
79 . 1 . 1 11 11 LEU HA H 1 4.289 0.020 . 1 . . . . A 11 LEU HA . 30975 1
80 . 1 . 1 11 11 LEU HB2 H 1 1.633 0.020 . 2 . . . . A 11 LEU HB2 . 30975 1
81 . 1 . 1 11 11 LEU HB3 H 1 1.633 0.020 . 2 . . . . A 11 LEU HB3 . 30975 1
82 . 1 . 1 11 11 LEU HG H 1 1.692 0.020 . 1 . . . . A 11 LEU HG . 30975 1
83 . 1 . 1 11 11 LEU HD11 H 1 0.926 0.020 . 2 . . . . A 11 LEU HD11 . 30975 1
84 . 1 . 1 11 11 LEU HD12 H 1 0.926 0.020 . 2 . . . . A 11 LEU HD12 . 30975 1
85 . 1 . 1 11 11 LEU HD13 H 1 0.926 0.020 . 2 . . . . A 11 LEU HD13 . 30975 1
86 . 1 . 1 11 11 LEU HD21 H 1 0.866 0.020 . 2 . . . . A 11 LEU HD21 . 30975 1
87 . 1 . 1 11 11 LEU HD22 H 1 0.866 0.020 . 2 . . . . A 11 LEU HD22 . 30975 1
88 . 1 . 1 11 11 LEU HD23 H 1 0.866 0.020 . 2 . . . . A 11 LEU HD23 . 30975 1
89 . 1 . 1 11 11 LEU N N 15 122.122 0.400 . 1 . . . . A 11 LEU N . 30975 1
90 . 1 . 1 12 12 MET H H 1 8.221 0.020 . 1 . . . . A 12 MET H . 30975 1
91 . 1 . 1 12 12 MET HA H 1 4.442 0.020 . 1 . . . . A 12 MET HA . 30975 1
92 . 1 . 1 12 12 MET HB2 H 1 2.123 0.020 . 2 . . . . A 12 MET HB2 . 30975 1
93 . 1 . 1 12 12 MET HB3 H 1 2.055 0.020 . 2 . . . . A 12 MET HB3 . 30975 1
94 . 1 . 1 12 12 MET HG2 H 1 2.642 0.020 . 2 . . . . A 12 MET HG2 . 30975 1
95 . 1 . 1 12 12 MET HG3 H 1 2.547 0.020 . 2 . . . . A 12 MET HG3 . 30975 1
96 . 1 . 1 12 12 MET CA C 13 55.692 0.400 . 1 . . . . A 12 MET CA . 30975 1
97 . 1 . 1 12 12 MET N N 15 119.535 0.400 . 1 . . . . A 12 MET N . 30975 1
98 . 1 . 1 13 13 GLY H H 1 8.246 0.020 . 1 . . . . A 13 GLY H . 30975 1
99 . 1 . 1 13 13 GLY HA2 H 1 3.917 0.020 . 2 . . . . A 13 GLY HA2 . 30975 1
100 . 1 . 1 13 13 GLY HA3 H 1 3.917 0.020 . 2 . . . . A 13 GLY HA3 . 30975 1
101 . 1 . 1 13 13 GLY CA C 13 45.004 0.400 . 1 . . . . A 13 GLY CA . 30975 1
102 . 1 . 1 14 14 ASP H H 1 8.310 0.020 . 1 . . . . A 14 ASP H . 30975 1
103 . 1 . 1 14 14 ASP HA H 1 4.957 0.020 . 1 . . . . A 14 ASP HA . 30975 1
104 . 1 . 1 14 14 ASP HB2 H 1 2.897 0.020 . 2 . . . . A 14 ASP HB2 . 30975 1
105 . 1 . 1 14 14 ASP HB3 H 1 2.720 0.020 . 2 . . . . A 14 ASP HB3 . 30975 1
106 . 1 . 1 14 14 ASP CA C 13 51.180 0.400 . 1 . . . . A 14 ASP CA . 30975 1
107 . 1 . 1 15 15 PRO HA H 1 4.421 0.020 . 1 . . . . A 15 PRO HA . 30975 1
108 . 1 . 1 15 15 PRO HB2 H 1 2.287 0.020 . 2 . . . . A 15 PRO HB2 . 30975 1
109 . 1 . 1 15 15 PRO HB3 H 1 1.917 0.020 . 2 . . . . A 15 PRO HB3 . 30975 1
110 . 1 . 1 15 15 PRO HG2 H 1 2.012 0.020 . 2 . . . . A 15 PRO HG2 . 30975 1
111 . 1 . 1 15 15 PRO HG3 H 1 2.012 0.020 . 2 . . . . A 15 PRO HG3 . 30975 1
112 . 1 . 1 15 15 PRO HD2 H 1 3.750 0.020 . 2 . . . . A 15 PRO HD2 . 30975 1
113 . 1 . 1 15 15 PRO HD3 H 1 3.802 0.020 . 2 . . . . A 15 PRO HD3 . 30975 1
114 . 1 . 1 15 15 PRO CA C 13 63.529 0.400 . 1 . . . . A 15 PRO CA . 30975 1
115 . 1 . 1 16 16 LYS H H 1 8.319 0.020 . 1 . . . . A 16 LYS H . 30975 1
116 . 1 . 1 16 16 LYS HA H 1 4.252 0.020 . 1 . . . . A 16 LYS HA . 30975 1
117 . 1 . 1 16 16 LYS HB2 H 1 1.828 0.020 . 2 . . . . A 16 LYS HB2 . 30975 1
118 . 1 . 1 16 16 LYS HB3 H 1 1.755 0.020 . 2 . . . . A 16 LYS HB3 . 30975 1
119 . 1 . 1 16 16 LYS HG2 H 1 1.439 0.020 . 2 . . . . A 16 LYS HG2 . 30975 1
120 . 1 . 1 16 16 LYS HG3 H 1 1.439 0.020 . 2 . . . . A 16 LYS HG3 . 30975 1
121 . 1 . 1 16 16 LYS HD2 H 1 1.690 0.020 . 2 . . . . A 16 LYS HD2 . 30975 1
122 . 1 . 1 16 16 LYS HD3 H 1 1.690 0.020 . 2 . . . . A 16 LYS HD3 . 30975 1
123 . 1 . 1 17 17 LYS H H 1 8.196 0.020 . 1 . . . . A 17 LYS H . 30975 1
124 . 1 . 1 17 17 LYS HA H 1 4.259 0.020 . 1 . . . . A 17 LYS HA . 30975 1
125 . 1 . 1 17 17 LYS HB2 H 1 1.831 0.020 . 2 . . . . A 17 LYS HB2 . 30975 1
126 . 1 . 1 17 17 LYS HB3 H 1 1.781 0.020 . 2 . . . . A 17 LYS HB3 . 30975 1
127 . 1 . 1 17 17 LYS HG2 H 1 1.430 0.020 . 2 . . . . A 17 LYS HG2 . 30975 1
128 . 1 . 1 17 17 LYS HG3 H 1 1.430 0.020 . 2 . . . . A 17 LYS HG3 . 30975 1
129 . 1 . 1 17 17 LYS HD2 H 1 1.722 0.020 . 2 . . . . A 17 LYS HD2 . 30975 1
130 . 1 . 1 17 17 LYS HD3 H 1 1.722 0.020 . 2 . . . . A 17 LYS HD3 . 30975 1
131 . 1 . 1 17 17 LYS CA C 13 59.697 0.400 . 1 . . . . A 17 LYS CA . 30975 1
132 . 1 . 1 17 17 LYS N N 15 122.599 0.400 . 1 . . . . A 17 LYS N . 30975 1
133 . 1 . 1 18 18 ALA H H 1 8.346 0.020 . 1 . . . . A 18 ALA H . 30975 1
134 . 1 . 1 18 18 ALA HA H 1 4.282 0.020 . 1 . . . . A 18 ALA HA . 30975 1
135 . 1 . 1 18 18 ALA HB1 H 1 1.392 0.020 . 1 . . . . A 18 ALA HB1 . 30975 1
136 . 1 . 1 18 18 ALA HB2 H 1 1.392 0.020 . 1 . . . . A 18 ALA HB2 . 30975 1
137 . 1 . 1 18 18 ALA HB3 H 1 1.392 0.020 . 1 . . . . A 18 ALA HB3 . 30975 1
138 . 1 . 1 18 18 ALA N N 15 125.344 0.400 . 1 . . . . A 18 ALA N . 30975 1
stop_
save_