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 31145
_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' . . . 31145 1
2 '2D 1H-1H NOESY' . . . 31145 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 CYS H H 1 8.565 0 . 1 . . . . A 1 CYS H1 . 31145 1
2 . 1 . 1 1 1 CYS HA H 1 4.227 0 . 1 . . . . A 1 CYS HA . 31145 1
3 . 1 . 1 1 1 CYS HB2 H 1 2.858 0 . 2 . . . . A 1 CYS HB2 . 31145 1
4 . 1 . 1 1 1 CYS HB3 H 1 2.760 0 . 2 . . . . A 1 CYS HB3 . 31145 1
5 . 1 . 1 2 2 GLY H H 1 8.568 0 . 1 . . . . A 2 GLY H . 31145 1
6 . 1 . 1 2 2 GLY HA2 H 1 3.953 0 . 2 . . . . A 2 GLY HA2 . 31145 1
7 . 1 . 1 2 2 GLY HA3 H 1 3.757 0 . 2 . . . . A 2 GLY HA3 . 31145 1
8 . 1 . 1 3 3 CYS H H 1 7.912 0 . 1 . . . . A 3 CYS H . 31145 1
9 . 1 . 1 3 3 CYS HA H 1 4.501 0 . 1 . . . . A 3 CYS HA . 31145 1
10 . 1 . 1 3 3 CYS HB2 H 1 2.819 0 . 2 . . . . A 3 CYS HB2 . 31145 1
11 . 1 . 1 3 3 CYS HB3 H 1 2.819 0 . 2 . . . . A 3 CYS HB3 . 31145 1
12 . 1 . 1 4 4 MET H H 1 8.436 0 . 1 . . . . A 4 MET H . 31145 1
13 . 1 . 1 4 4 MET HA H 1 4.637 0 . 1 . . . . A 4 MET HA . 31145 1
14 . 1 . 1 4 4 MET HB2 H 1 1.880 0 . 2 . . . . A 4 MET HB2 . 31145 1
15 . 1 . 1 4 4 MET HB3 H 1 1.860 0 . 2 . . . . A 4 MET HB3 . 31145 1
16 . 1 . 1 4 4 MET HG2 H 1 2.447 0 . 2 . . . . A 4 MET HG2 . 31145 1
17 . 1 . 1 4 4 MET HG3 H 1 2.369 0 . 2 . . . . A 4 MET HG3 . 31145 1
18 . 1 . 1 5 5 ARG H H 1 8.560 0 . 1 . . . . A 5 ARG H . 31145 1
19 . 1 . 1 5 5 ARG HA H 1 4.520 0 . 1 . . . . A 5 ARG HA . 31145 1
20 . 1 . 1 5 5 ARG HB2 H 1 1.684 0 . 2 . . . . A 5 ARG HB2 . 31145 1
21 . 1 . 1 5 5 ARG HB3 H 1 1.626 0 . 2 . . . . A 5 ARG HB3 . 31145 1
22 . 1 . 1 5 5 ARG HG2 H 1 1.469 0 . 2 . . . . A 5 ARG HG2 . 31145 1
23 . 1 . 1 5 5 ARG HG3 H 1 1.469 0 . 2 . . . . A 5 ARG HG3 . 31145 1
24 . 1 . 1 5 5 ARG HD2 H 1 3.073 0 . 2 . . . . A 5 ARG HD2 . 31145 1
25 . 1 . 1 5 5 ARG HD3 H 1 3.073 0 . 2 . . . . A 5 ARG HD3 . 31145 1
26 . 1 . 1 5 5 ARG HE H 1 7.040 0 . 1 . . . . A 5 ARG HE . 31145 1
27 . 1 . 1 6 6 VAL H H 1 8.326 0 . 1 . . . . A 6 VAL H . 31145 1
28 . 1 . 1 6 6 VAL HA H 1 4.129 0 . 1 . . . . A 6 VAL HA . 31145 1
29 . 1 . 1 6 6 VAL HB H 1 1.821 0 . 1 . . . . A 6 VAL HB . 31145 1
30 . 1 . 1 6 6 VAL HG11 H 1 0.863 0 . 1 . . . . A 6 VAL HG11 . 31145 1
31 . 1 . 1 6 6 VAL HG12 H 1 0.863 0 . 1 . . . . A 6 VAL HG12 . 31145 1
32 . 1 . 1 6 6 VAL HG13 H 1 0.863 0 . 1 . . . . A 6 VAL HG13 . 31145 1
33 . 1 . 1 6 6 VAL HG21 H 1 0.628 0 . 1 . . . . A 6 VAL HG21 . 31145 1
34 . 1 . 1 6 6 VAL HG22 H 1 0.628 0 . 1 . . . . A 6 VAL HG22 . 31145 1
35 . 1 . 1 6 6 VAL HG23 H 1 0.628 0 . 1 . . . . A 6 VAL HG23 . 31145 1
36 . 1 . 1 7 7 THR H H 1 8.185 0 . 1 . . . . A 7 THR H . 31145 1
37 . 1 . 1 7 7 THR HA H 1 4.461 0 . 1 . . . . A 7 THR HA . 31145 1
38 . 1 . 1 7 7 THR HB H 1 5.048 0 . 1 . . . . A 7 THR HB . 31145 1
39 . 1 . 1 7 7 THR HG21 H 1 0.961 0 . 1 . . . . A 7 THR HG21 . 31145 1
40 . 1 . 1 7 7 THR HG22 H 1 0.961 0 . 1 . . . . A 7 THR HG22 . 31145 1
41 . 1 . 1 7 7 THR HG23 H 1 0.961 0 . 1 . . . . A 7 THR HG23 . 31145 1
42 . 1 . 1 8 8 TYR H H 1 8.580 0 . 1 . . . . A 8 TYR H . 31145 1
43 . 1 . 1 8 8 TYR HA H 1 4.852 0 . 1 . . . . A 8 TYR HA . 31145 1
44 . 1 . 1 8 8 TYR HB2 H 1 2.956 0 . 2 . . . . A 8 TYR HB2 . 31145 1
45 . 1 . 1 8 8 TYR HB3 H 1 2.643 0 . 2 . . . . A 8 TYR HB3 . 31145 1
46 . 1 . 1 8 8 TYR HD1 H 1 7.024 0 . 3 . . . . A 8 TYR HD1 . 31145 1
47 . 1 . 1 8 8 TYR HD2 H 1 7.024 0 . 3 . . . . A 8 TYR HD2 . 31145 1
48 . 1 . 1 8 8 TYR HE1 H 1 6.652 0 . 3 . . . . A 8 TYR HE1 . 31145 1
49 . 1 . 1 8 8 TYR HE2 H 1 6.652 0 . 3 . . . . A 8 TYR HE2 . 31145 1
50 . 1 . 1 9 9 PRO HA H 1 4.318 0 . 1 . . . . A 9 PRO HA . 31145 1
51 . 1 . 1 9 9 PRO HB2 H 1 2.153 0 . 2 . . . . A 9 PRO HB2 . 31145 1
52 . 1 . 1 9 9 PRO HB3 H 1 1.821 0 . 2 . . . . A 9 PRO HB3 . 31145 1
53 . 1 . 1 9 9 PRO HD2 H 1 3.581 0 . 2 . . . . A 9 PRO HD2 . 31145 1
54 . 1 . 1 9 9 PRO HD3 H 1 3.288 0 . 2 . . . . A 9 PRO HD3 . 31145 1
55 . 1 . 1 10 10 ASP H H 1 8.589 0 . 1 . . . . A 10 ASP H . 31145 1
56 . 1 . 1 10 10 ASP HA H 1 4.677 0 . 1 . . . . A 10 ASP HA . 31145 1
57 . 1 . 1 10 10 ASP HB2 H 1 2.858 0 . 2 . . . . A 10 ASP HB2 . 31145 1
58 . 1 . 1 10 10 ASP HB3 H 1 2.701 0 . 2 . . . . A 10 ASP HB3 . 31145 1
59 . 1 . 1 11 11 GLY H H 1 8.294 0 . 1 . . . . A 11 GLY H . 31145 1
60 . 1 . 1 11 11 GLY HA2 H 1 3.933 0 . 2 . . . . A 11 GLY HA2 . 31145 1
61 . 1 . 1 11 11 GLY HA3 H 1 3.757 0 . 2 . . . . A 11 GLY HA3 . 31145 1
62 . 1 . 1 12 12 GLN H H 1 8.164 0 . 1 . . . . A 12 GLN H . 31145 1
63 . 1 . 1 12 12 GLN HA H 1 4.109 0 . 1 . . . . A 12 GLN HA . 31145 1
64 . 1 . 1 12 12 GLN HB2 H 1 1.821 0 . 2 . . . . A 12 GLN HB2 . 31145 1
65 . 1 . 1 12 12 GLN HB3 H 1 1.821 0 . 2 . . . . A 12 GLN HB3 . 31145 1
66 . 1 . 1 12 12 GLN HG2 H 1 2.173 0 . 2 . . . . A 12 GLN HG2 . 31145 1
67 . 1 . 1 12 12 GLN HG3 H 1 2.076 0 . 2 . . . . A 12 GLN HG3 . 31145 1
68 . 1 . 1 13 13 LYS H H 1 7.757 0 . 1 . . . . A 13 LYS H . 31145 1
69 . 1 . 1 13 13 LYS HA H 1 4.501 0 . 1 . . . . A 13 LYS HA . 31145 1
70 . 1 . 1 13 13 LYS HB2 H 1 1.704 0 . 2 . . . . A 13 LYS HB2 . 31145 1
71 . 1 . 1 13 13 LYS HB3 H 1 1.567 0 . 2 . . . . A 13 LYS HB3 . 31145 1
72 . 1 . 1 13 13 LYS HG2 H 1 1.313 0 . 2 . . . . A 13 LYS HG2 . 31145 1
73 . 1 . 1 13 13 LYS HG3 H 1 1.313 0 . 2 . . . . A 13 LYS HG3 . 31145 1
74 . 1 . 1 13 13 LYS HD2 H 1 1.567 0 . 2 . . . . A 13 LYS HD2 . 31145 1
75 . 1 . 1 13 13 LYS HD3 H 1 1.567 0 . 2 . . . . A 13 LYS HD3 . 31145 1
76 . 1 . 1 13 13 LYS HE2 H 1 2.877 0 . 2 . . . . A 13 LYS HE2 . 31145 1
77 . 1 . 1 13 13 LYS HE3 H 1 2.877 0 . 2 . . . . A 13 LYS HE3 . 31145 1
78 . 1 . 1 14 14 PRO HA H 1 4.290 0 . 1 . . . . A 14 PRO HA . 31145 1
79 . 1 . 1 14 14 PRO HB2 H 1 2.193 0 . 2 . . . . A 14 PRO HB2 . 31145 1
80 . 1 . 1 14 14 PRO HB3 H 1 1.958 0 . 2 . . . . A 14 PRO HB3 . 31145 1
81 . 1 . 1 14 14 PRO HG2 H 1 1.900 0 . 2 . . . . A 14 PRO HG2 . 31145 1
82 . 1 . 1 14 14 PRO HG3 H 1 1.821 0 . 2 . . . . A 14 PRO HG3 . 31145 1
83 . 1 . 1 14 14 PRO HD2 H 1 3.699 0 . 2 . . . . A 14 PRO HD2 . 31145 1
84 . 1 . 1 14 14 PRO HD3 H 1 3.523 0 . 2 . . . . A 14 PRO HD3 . 31145 1
85 . 1 . 1 15 15 GLY H H 1 8.485 0 . 1 . . . . A 15 GLY H . 31145 1
86 . 1 . 1 15 15 GLY HA2 H 1 3.933 0 . 2 . . . . A 15 GLY HA2 . 31145 1
87 . 1 . 1 15 15 GLY HA3 H 1 3.816 0 . 2 . . . . A 15 GLY HA3 . 31145 1
88 . 1 . 1 16 16 GLN H H 1 7.920 0 . 1 . . . . A 16 GLN H . 31145 1
89 . 1 . 1 16 16 GLN HA H 1 4.442 0 . 1 . . . . A 16 GLN HA . 31145 1
90 . 1 . 1 16 16 GLN HB2 H 1 2.076 0 . 2 . . . . A 16 GLN HB2 . 31145 1
91 . 1 . 1 16 16 GLN HB3 H 1 1.900 0 . 2 . . . . A 16 GLN HB3 . 31145 1
92 . 1 . 1 16 16 GLN HG2 H 1 2.232 0 . 2 . . . . A 16 GLN HG2 . 31145 1
93 . 1 . 1 16 16 GLN HG3 H 1 2.232 0 . 2 . . . . A 16 GLN HG3 . 31145 1
94 . 1 . 1 17 17 SER H H 1 8.317 0 . 1 . . . . A 17 SER H . 31145 1
95 . 1 . 1 17 17 SER HA H 1 4.657 0 . 1 . . . . A 17 SER HA . 31145 1
96 . 1 . 1 17 17 SER HB2 H 1 3.795 0 . 2 . . . . A 17 SER HB2 . 31145 1
97 . 1 . 1 17 17 SER HB3 H 1 3.760 0 . 2 . . . . A 17 SER HB3 . 31145 1
98 . 1 . 1 18 18 ASP H H 1 8.694 0 . 1 . . . . A 18 ASP H . 31145 1
99 . 1 . 1 18 18 ASP HA H 1 4.872 0 . 1 . . . . A 18 ASP HA . 31145 1
100 . 1 . 1 18 18 ASP HB2 H 1 3.053 0 . 2 . . . . A 18 ASP HB2 . 31145 1
101 . 1 . 1 18 18 ASP HB3 H 1 2.780 0 . 2 . . . . A 18 ASP HB3 . 31145 1
102 . 1 . 1 19 19 VAL H H 1 8.301 0 . 1 . . . . A 19 VAL H . 31145 1
103 . 1 . 1 19 19 VAL HA H 1 4.657 0 . 1 . . . . A 19 VAL HA . 31145 1
104 . 1 . 1 19 19 VAL HB H 1 1.841 0 . 1 . . . . A 19 VAL HB . 31145 1
105 . 1 . 1 19 19 VAL HG11 H 1 0.765 0 . 2 . . . . A 19 VAL HG11 . 31145 1
106 . 1 . 1 19 19 VAL HG12 H 1 0.765 0 . 2 . . . . A 19 VAL HG12 . 31145 1
107 . 1 . 1 19 19 VAL HG13 H 1 0.765 0 . 2 . . . . A 19 VAL HG13 . 31145 1
108 . 1 . 1 19 19 VAL HG21 H 1 0.765 0 . 2 . . . . A 19 VAL HG21 . 31145 1
109 . 1 . 1 19 19 VAL HG22 H 1 0.765 0 . 2 . . . . A 19 VAL HG22 . 31145 1
110 . 1 . 1 19 19 VAL HG23 H 1 0.765 0 . 2 . . . . A 19 VAL HG23 . 31145 1
111 . 1 . 1 20 20 GLU H H 1 8.682 0 . 1 . . . . A 20 GLU H . 31145 1
112 . 1 . 1 20 20 GLU HA H 1 4.501 0 . 1 . . . . A 20 GLU HA . 31145 1
113 . 1 . 1 20 20 GLU HB2 H 1 1.900 0 . 2 . . . . A 20 GLU HB2 . 31145 1
114 . 1 . 1 20 20 GLU HB3 H 1 1.743 0 . 2 . . . . A 20 GLU HB3 . 31145 1
115 . 1 . 1 20 20 GLU HG2 H 1 2.232 0 . 2 . . . . A 20 GLU HG2 . 31145 1
116 . 1 . 1 20 20 GLU HG3 H 1 2.232 0 . 2 . . . . A 20 GLU HG3 . 31145 1
117 . 1 . 1 21 21 LYS H H 1 8.418 0 . 1 . . . . A 21 LYS H . 31145 1
118 . 1 . 1 21 21 LYS HA H 1 4.481 0 . 1 . . . . A 21 LYS HA . 31145 1
119 . 1 . 1 21 21 LYS HB2 H 1 1.743 0 . 2 . . . . A 21 LYS HB2 . 31145 1
120 . 1 . 1 21 21 LYS HB3 H 1 1.626 0 . 2 . . . . A 21 LYS HB3 . 31145 1
121 . 1 . 1 21 21 LYS HG2 H 1 1.313 0 . 2 . . . . A 21 LYS HG2 . 31145 1
122 . 1 . 1 21 21 LYS HG3 H 1 1.313 0 . 2 . . . . A 21 LYS HG3 . 31145 1
123 . 1 . 1 21 21 LYS HD2 H 1 1.567 0 . 2 . . . . A 21 LYS HD2 . 31145 1
124 . 1 . 1 21 21 LYS HD3 H 1 1.567 0 . 2 . . . . A 21 LYS HD3 . 31145 1
125 . 1 . 1 21 21 LYS HE2 H 1 2.877 0 . 2 . . . . A 21 LYS HE2 . 31145 1
126 . 1 . 1 21 21 LYS HE3 H 1 2.877 0 . 2 . . . . A 21 LYS HE3 . 31145 1
127 . 1 . 1 22 22 ASP H H 1 8.334 0 . 1 . . . . A 22 ASP H . 31145 1
128 . 1 . 1 22 22 ASP HA H 1 4.461 0 . 1 . . . . A 22 ASP HA . 31145 1
129 . 1 . 1 22 22 ASP HB2 H 1 2.877 0 . 2 . . . . A 22 ASP HB2 . 31145 1
130 . 1 . 1 22 22 ASP HB3 H 1 2.780 0 . 2 . . . . A 22 ASP HB3 . 31145 1
stop_
save_