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 30713
_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' . . . 30713 1
2 '2D 1H-1H NOESY' . . . 30713 1
3 '2D 1H-1H TOCSY' . . . 30713 1
4 '2D 1H-1H NOESY' . . . 30713 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 ALA HA H 1 4.193 0.004 . 1 . . . . A 1 ALA HA . 30713 1
2 . 1 . 1 1 1 ALA HB1 H 1 1.580 0.006 . 1 . . . . A 1 ALA HB1 . 30713 1
3 . 1 . 1 1 1 ALA HB2 H 1 1.580 0.006 . 1 . . . . A 1 ALA HB2 . 30713 1
4 . 1 . 1 1 1 ALA HB3 H 1 1.580 0.006 . 1 . . . . A 1 ALA HB3 . 30713 1
5 . 1 . 1 2 2 GLY H H 1 8.594 0.009 . 1 . . . . A 2 GLY H . 30713 1
6 . 1 . 1 2 2 GLY HA2 H 1 4.085 0.000 . 2 . . . . A 2 GLY HA2 . 30713 1
7 . 1 . 1 2 2 GLY HA3 H 1 4.063 0.014 . 2 . . . . A 2 GLY HA3 . 30713 1
8 . 1 . 1 3 3 GLY H H 1 8.332 0.001 . 1 . . . . A 3 GLY H . 30713 1
9 . 1 . 1 3 3 GLY HA2 H 1 4.098 0.001 . 2 . . . . A 3 GLY HA2 . 30713 1
10 . 1 . 1 3 3 GLY HA3 H 1 4.098 0.001 . 2 . . . . A 3 GLY HA3 . 30713 1
11 . 1 . 1 4 4 DBU H H 1 9.247 0.007 . 1 . . . . A 4 DBU H . 30713 1
12 . 1 . 1 4 4 DBU HB H 1 6.589 0.010 . 1 . . . . A 4 DBU HB . 30713 1
13 . 1 . 1 4 4 DBU HG1 H 1 1.768 0.006 . 1 . . . . A 4 DBU HG1 . 30713 1
14 . 1 . 1 4 4 DBU HG2 H 1 1.768 0.006 . 1 . . . . A 4 DBU HG2 . 30713 1
15 . 1 . 1 4 4 DBU HG3 H 1 1.768 0.006 . 1 . . . . A 4 DBU HG3 . 30713 1
16 . 1 . 1 5 5 ILE H H 1 7.663 0.003 . 1 . . . . A 5 ILE H . 30713 1
17 . 1 . 1 5 5 ILE HA H 1 4.520 0.010 . 1 . . . . A 5 ILE HA . 30713 1
18 . 1 . 1 5 5 ILE HB H 1 1.936 0.012 . 1 . . . . A 5 ILE HB . 30713 1
19 . 1 . 1 5 5 ILE HG12 H 1 1.196 0.013 . 2 . . . . A 5 ILE HG12 . 30713 1
20 . 1 . 1 5 5 ILE HG13 H 1 1.552 0.009 . 2 . . . . A 5 ILE HG13 . 30713 1
21 . 1 . 1 5 5 ILE HG21 H 1 0.973 0.012 . 1 . . . . A 5 ILE HG21 . 30713 1
22 . 1 . 1 5 5 ILE HG22 H 1 0.973 0.012 . 1 . . . . A 5 ILE HG22 . 30713 1
23 . 1 . 1 5 5 ILE HG23 H 1 0.973 0.012 . 1 . . . . A 5 ILE HG23 . 30713 1
24 . 1 . 1 5 5 ILE HD11 H 1 0.890 0.015 . 1 . . . . A 5 ILE HD11 . 30713 1
25 . 1 . 1 5 5 ILE HD12 H 1 0.890 0.015 . 1 . . . . A 5 ILE HD12 . 30713 1
26 . 1 . 1 5 5 ILE HD13 H 1 0.890 0.015 . 1 . . . . A 5 ILE HD13 . 30713 1
27 . 1 . 1 6 6 PRO HA H 1 4.443 0.016 . 1 . . . . A 6 PRO HA . 30713 1
28 . 1 . 1 6 6 PRO HB2 H 1 2.006 0.009 . 2 . . . . A 6 PRO HB2 . 30713 1
29 . 1 . 1 6 6 PRO HB3 H 1 2.383 0.009 . 2 . . . . A 6 PRO HB3 . 30713 1
30 . 1 . 1 6 6 PRO HG2 H 1 2.043 0.016 . 2 . . . . A 6 PRO HG2 . 30713 1
31 . 1 . 1 6 6 PRO HG3 H 1 2.132 0.013 . 2 . . . . A 6 PRO HG3 . 30713 1
32 . 1 . 1 6 6 PRO HD2 H 1 3.756 0.020 . 2 . . . . A 6 PRO HD2 . 30713 1
33 . 1 . 1 6 6 PRO HD3 H 1 3.978 0.010 . 2 . . . . A 6 PRO HD3 . 30713 1
34 . 1 . 1 7 7 DAL H H 1 8.508 0.002 . 1 . . . . A 7 DAL H . 30713 1
35 . 1 . 1 7 7 DAL HA H 1 4.342 0.001 . 1 . . . . A 7 DAL HA . 30713 1
36 . 1 . 1 7 7 DAL HB1 H 1 3.129 0.005 . 2 . . . . A 7 DAL HB1 . 30713 1
37 . 1 . 1 7 7 DAL HB2 H 1 3.073 0.016 . 2 . . . . A 7 DAL HB2 . 30713 1
38 . 1 . 1 8 8 LEU H H 1 7.727 0.003 . 1 . . . . A 8 LEU H . 30713 1
39 . 1 . 1 8 8 LEU HA H 1 4.328 0.011 . 1 . . . . A 8 LEU HA . 30713 1
40 . 1 . 1 8 8 LEU HB2 H 1 1.697 0.013 . 2 . . . . A 8 LEU HB2 . 30713 1
41 . 1 . 1 8 8 LEU HB3 H 1 1.697 0.013 . 2 . . . . A 8 LEU HB3 . 30713 1
42 . 1 . 1 8 8 LEU HG H 1 1.656 0.007 . 1 . . . . A 8 LEU HG . 30713 1
43 . 1 . 1 8 8 LEU HD11 H 1 0.919 0.001 . 1 . . . . A 8 LEU HD11 . 30713 1
44 . 1 . 1 8 8 LEU HD12 H 1 0.919 0.001 . 1 . . . . A 8 LEU HD12 . 30713 1
45 . 1 . 1 8 8 LEU HD13 H 1 0.919 0.001 . 1 . . . . A 8 LEU HD13 . 30713 1
46 . 1 . 1 8 8 LEU HD21 H 1 0.886 0.002 . 1 . . . . A 8 LEU HD21 . 30713 1
47 . 1 . 1 8 8 LEU HD22 H 1 0.886 0.002 . 1 . . . . A 8 LEU HD22 . 30713 1
48 . 1 . 1 8 8 LEU HD23 H 1 0.886 0.002 . 1 . . . . A 8 LEU HD23 . 30713 1
49 . 1 . 1 9 9 MET H H 1 8.166 0.002 . 1 . . . . A 9 MET H . 30713 1
50 . 1 . 1 9 9 MET HA H 1 4.552 0.006 . 1 . . . . A 9 MET HA . 30713 1
51 . 1 . 1 9 9 MET HB2 H 1 2.058 0.014 . 2 . . . . A 9 MET HB2 . 30713 1
52 . 1 . 1 9 9 MET HB3 H 1 2.225 0.029 . 2 . . . . A 9 MET HB3 . 30713 1
53 . 1 . 1 9 9 MET HG2 H 1 2.570 0.006 . 2 . . . . A 9 MET HG2 . 30713 1
54 . 1 . 1 9 9 MET HG3 H 1 2.596 0.006 . 2 . . . . A 9 MET HG3 . 30713 1
55 . 1 . 1 10 10 DBB H H 1 7.762 0.006 . 1 . . . . A 10 DBB H . 30713 1
56 . 1 . 1 10 10 DBB HA H 1 4.732 0.007 . 1 . . . . A 10 DBB HA . 30713 1
57 . 1 . 1 10 10 DBB HB2 H 1 3.550 0.008 . 1 . . . . A 10 DBB HB2 . 30713 1
58 . 1 . 1 10 10 DBB HG1 H 1 1.272 0.001 . 1 . . . . A 10 DBB HG1 . 30713 1
59 . 1 . 1 10 10 DBB HG2 H 1 1.272 0.001 . 1 . . . . A 10 DBB HG2 . 30713 1
60 . 1 . 1 10 10 DBB HG3 H 1 1.272 0.001 . 1 . . . . A 10 DBB HG3 . 30713 1
61 . 1 . 1 11 11 GLY H H 1 8.369 0.002 . 1 . . . . A 11 GLY H . 30713 1
62 . 1 . 1 11 11 GLY HA2 H 1 3.790 0.014 . 2 . . . . A 11 GLY HA2 . 30713 1
63 . 1 . 1 11 11 GLY HA3 H 1 4.157 0.015 . 2 . . . . A 11 GLY HA3 . 30713 1
64 . 1 . 1 12 12 CYS H H 1 7.840 0.002 . 1 . . . . A 12 CYS H . 30713 1
65 . 1 . 1 12 12 CYS HA H 1 4.472 0.012 . 1 . . . . A 12 CYS HA . 30713 1
66 . 1 . 1 12 12 CYS HB2 H 1 2.700 0.013 . 2 . . . . A 12 CYS HB2 . 30713 1
67 . 1 . 1 12 12 CYS HB3 H 1 2.782 0.007 . 2 . . . . A 12 CYS HB3 . 30713 1
68 . 1 . 1 13 13 GLY H H 1 8.444 0.005 . 1 . . . . A 13 GLY H . 30713 1
69 . 1 . 1 13 13 GLY HA2 H 1 3.817 0.008 . 2 . . . . A 13 GLY HA2 . 30713 1
70 . 1 . 1 13 13 GLY HA3 H 1 3.897 0.018 . 2 . . . . A 13 GLY HA3 . 30713 1
71 . 1 . 1 14 14 TRP H H 1 7.754 0.003 . 1 . . . . A 14 TRP H . 30713 1
72 . 1 . 1 14 14 TRP HA H 1 4.730 0.037 . 1 . . . . A 14 TRP HA . 30713 1
73 . 1 . 1 14 14 TRP HB2 H 1 3.332 0.017 . 2 . . . . A 14 TRP HB2 . 30713 1
74 . 1 . 1 14 14 TRP HB3 H 1 3.401 0.011 . 2 . . . . A 14 TRP HB3 . 30713 1
75 . 1 . 1 14 14 TRP HD1 H 1 7.244 0.006 . 1 . . . . A 14 TRP HD1 . 30713 1
76 . 1 . 1 14 14 TRP HE1 H 1 9.757 0.938 . 1 . . . . A 14 TRP HE1 . 30713 1
77 . 1 . 1 14 14 TRP HE3 H 1 7.605 0.047 . 1 . . . . A 14 TRP HE3 . 30713 1
78 . 1 . 1 14 14 TRP HZ2 H 1 7.636 0.602 . 1 . . . . A 14 TRP HZ2 . 30713 1
79 . 1 . 1 14 14 TRP HZ3 H 1 7.155 0.015 . 1 . . . . A 14 TRP HZ3 . 30713 1
80 . 1 . 1 14 14 TRP HH2 H 1 7.217 0.016 . 1 . . . . A 14 TRP HH2 . 30713 1
81 . 1 . 1 15 15 LEU H H 1 7.859 0.011 . 1 . . . . A 15 LEU H . 30713 1
82 . 1 . 1 15 15 LEU HA H 1 4.358 0.010 . 1 . . . . A 15 LEU HA . 30713 1
83 . 1 . 1 15 15 LEU HB2 H 1 1.527 0.014 . 2 . . . . A 15 LEU HB2 . 30713 1
84 . 1 . 1 15 15 LEU HB3 H 1 1.632 0.012 . 2 . . . . A 15 LEU HB3 . 30713 1
85 . 1 . 1 15 15 LEU HG H 1 1.261 0.021 . 1 . . . . A 15 LEU HG . 30713 1
86 . 1 . 1 15 15 LEU HD11 H 1 0.872 0.022 . 1 . . . . A 15 LEU HD11 . 30713 1
87 . 1 . 1 15 15 LEU HD12 H 1 0.872 0.022 . 1 . . . . A 15 LEU HD12 . 30713 1
88 . 1 . 1 15 15 LEU HD13 H 1 0.872 0.022 . 1 . . . . A 15 LEU HD13 . 30713 1
89 . 1 . 1 15 15 LEU HD21 H 1 0.786 0.018 . 1 . . . . A 15 LEU HD21 . 30713 1
90 . 1 . 1 15 15 LEU HD22 H 1 0.786 0.018 . 1 . . . . A 15 LEU HD22 . 30713 1
91 . 1 . 1 15 15 LEU HD23 H 1 0.786 0.018 . 1 . . . . A 15 LEU HD23 . 30713 1
92 . 1 . 1 16 16 DBU H H 1 8.885 0.000 . 1 . . . . A 16 DBU H . 30713 1
93 . 1 . 1 16 16 DBU HB H 1 6.657 0.015 . 1 . . . . A 16 DBU HB . 30713 1
94 . 1 . 1 17 17 GLY H H 1 7.946 0.003 . 1 . . . . A 17 GLY H . 30713 1
95 . 1 . 1 17 17 GLY HA2 H 1 3.832 0.017 . 2 . . . . A 17 GLY HA2 . 30713 1
96 . 1 . 1 17 17 GLY HA3 H 1 3.968 0.003 . 2 . . . . A 17 GLY HA3 . 30713 1
97 . 1 . 1 18 18 LEU H H 1 7.795 0.002 . 1 . . . . A 18 LEU H . 30713 1
98 . 1 . 1 18 18 LEU HA H 1 4.344 0.009 . 1 . . . . A 18 LEU HA . 30713 1
99 . 1 . 1 18 18 LEU HB2 H 1 1.609 0.008 . 2 . . . . A 18 LEU HB2 . 30713 1
100 . 1 . 1 18 18 LEU HB3 H 1 1.714 0.004 . 2 . . . . A 18 LEU HB3 . 30713 1
101 . 1 . 1 18 18 LEU HD11 H 1 0.909 0.005 . 1 . . . . A 18 LEU HD11 . 30713 1
102 . 1 . 1 18 18 LEU HD12 H 1 0.909 0.005 . 1 . . . . A 18 LEU HD12 . 30713 1
103 . 1 . 1 18 18 LEU HD13 H 1 0.909 0.005 . 1 . . . . A 18 LEU HD13 . 30713 1
104 . 1 . 1 18 18 LEU HD21 H 1 0.868 0.006 . 1 . . . . A 18 LEU HD21 . 30713 1
105 . 1 . 1 18 18 LEU HD22 H 1 0.868 0.006 . 1 . . . . A 18 LEU HD22 . 30713 1
106 . 1 . 1 18 18 LEU HD23 H 1 0.868 0.006 . 1 . . . . A 18 LEU HD23 . 30713 1
107 . 1 . 1 19 19 CYS H H 1 8.034 0.003 . 1 . . . . A 19 CYS H . 30713 1
108 . 1 . 1 19 19 CYS HA H 1 4.579 0.006 . 1 . . . . A 19 CYS HA . 30713 1
109 . 1 . 1 19 19 CYS HB2 H 1 2.752 0.014 . 2 . . . . A 19 CYS HB2 . 30713 1
110 . 1 . 1 19 19 CYS HB3 H 1 3.066 0.006 . 2 . . . . A 19 CYS HB3 . 30713 1
111 . 1 . 1 20 20 VAL H H 1 7.846 0.002 . 1 . . . . A 20 VAL H . 30713 1
112 . 1 . 1 20 20 VAL HA H 1 4.153 0.008 . 1 . . . . A 20 VAL HA . 30713 1
113 . 1 . 1 20 20 VAL HB H 1 2.089 0.012 . 1 . . . . A 20 VAL HB . 30713 1
114 . 1 . 1 20 20 VAL HG11 H 1 0.941 0.013 . 1 . . . . A 20 VAL HG11 . 30713 1
115 . 1 . 1 20 20 VAL HG12 H 1 0.941 0.013 . 1 . . . . A 20 VAL HG12 . 30713 1
116 . 1 . 1 20 20 VAL HG13 H 1 0.941 0.013 . 1 . . . . A 20 VAL HG13 . 30713 1
117 . 1 . 1 20 20 VAL HG21 H 1 0.906 0.012 . 1 . . . . A 20 VAL HG21 . 30713 1
118 . 1 . 1 20 20 VAL HG22 H 1 0.906 0.012 . 1 . . . . A 20 VAL HG22 . 30713 1
119 . 1 . 1 20 20 VAL HG23 H 1 0.906 0.012 . 1 . . . . A 20 VAL HG23 . 30713 1
120 . 1 . 1 21 21 ARG H H 1 8.204 0.002 . 1 . . . . A 21 ARG H . 30713 1
121 . 1 . 1 21 21 ARG HA H 1 4.375 0.009 . 1 . . . . A 21 ARG HA . 30713 1
122 . 1 . 1 21 21 ARG HB2 H 1 1.784 0.015 . 2 . . . . A 21 ARG HB2 . 30713 1
123 . 1 . 1 21 21 ARG HB3 H 1 1.928 0.011 . 2 . . . . A 21 ARG HB3 . 30713 1
124 . 1 . 1 21 21 ARG HG2 H 1 1.648 0.012 . 2 . . . . A 21 ARG HG2 . 30713 1
125 . 1 . 1 21 21 ARG HG3 H 1 1.648 0.012 . 2 . . . . A 21 ARG HG3 . 30713 1
126 . 1 . 1 21 21 ARG HD2 H 1 3.205 0.009 . 2 . . . . A 21 ARG HD2 . 30713 1
127 . 1 . 1 21 21 ARG HD3 H 1 3.205 0.009 . 2 . . . . A 21 ARG HD3 . 30713 1
128 . 1 . 1 21 21 ARG HH11 H 1 7.150 0.000 . 2 . . . . A 21 ARG HH11 . 30713 1
129 . 1 . 1 21 21 ARG HH12 H 1 7.150 0.000 . 2 . . . . A 21 ARG HH12 . 30713 1
130 . 1 . 1 21 21 ARG HH21 H 1 6.627 0.008 . 2 . . . . A 21 ARG HH21 . 30713 1
131 . 1 . 1 21 21 ARG HH22 H 1 6.627 0.008 . 2 . . . . A 21 ARG HH22 . 30713 1
stop_
save_