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 30789
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0
_Assigned_chem_shift_list.Chem_shift_15N_err 0
_Assigned_chem_shift_list.Chem_shift_31P_err 0
_Assigned_chem_shift_list.Chem_shift_2H_err 0
_Assigned_chem_shift_list.Chem_shift_19F_err 0
_Assigned_chem_shift_list.Error_derivation_method 0
_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' . . . 30789 1
2 '2D 1H-1H TOCSY' . . . 30789 1
3 '2D 1H-1H NOESY' . . . 30789 1
4 '2D 1H-1H NOESY' . . . 30789 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 GLY HA2 H 1 3.809 0.000 . . . . . . A 1 GLY HA2 . 30789 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.809 0.000 . . . . . . A 1 GLY HA3 . 30789 1
3 . 1 . 1 2 2 ARG H H 1 8.452 0.002 . . . . . . A 2 ARG H . 30789 1
4 . 1 . 1 2 2 ARG HA H 1 4.230 0.011 . . . . . . A 2 ARG HA . 30789 1
5 . 1 . 1 2 2 ARG HB2 H 1 1.611 0.009 . . . . . . A 2 ARG HB2 . 30789 1
6 . 1 . 1 2 2 ARG HB3 H 1 1.682 0.009 . . . . . . A 2 ARG HB3 . 30789 1
7 . 1 . 1 2 2 ARG HG2 H 1 1.462 0.013 . . . . . . A 2 ARG HG2 . 30789 1
8 . 1 . 1 2 2 ARG HG3 H 1 1.493 0.006 . . . . . . A 2 ARG HG3 . 30789 1
9 . 1 . 1 2 2 ARG HD2 H 1 3.041 0.004 . . . . . . A 2 ARG HD2 . 30789 1
10 . 1 . 1 2 2 ARG HD3 H 1 3.041 0.004 . . . . . . A 2 ARG HD3 . 30789 1
11 . 1 . 1 3 3 ILE H H 1 8.265 0.002 . . . . . . A 3 ILE H . 30789 1
12 . 1 . 1 3 3 ILE HA H 1 4.020 0.016 . . . . . . A 3 ILE HA . 30789 1
13 . 1 . 1 3 3 ILE HB H 1 1.706 0.009 . . . . . . A 3 ILE HB . 30789 1
14 . 1 . 1 3 3 ILE HG12 H 1 1.049 0.009 . . . . . . A 3 ILE HG12 . 30789 1
15 . 1 . 1 3 3 ILE HG13 H 1 1.320 0.006 . . . . . . A 3 ILE HG13 . 30789 1
16 . 1 . 1 3 3 ILE HG21 H 1 0.715 0.012 . . . . . . A 3 ILE HG21 . 30789 1
17 . 1 . 1 3 3 ILE HG22 H 1 0.715 0.012 . . . . . . A 3 ILE HG22 . 30789 1
18 . 1 . 1 3 3 ILE HG23 H 1 0.715 0.012 . . . . . . A 3 ILE HG23 . 30789 1
19 . 1 . 1 3 3 ILE HD11 H 1 0.753 0.010 . . . . . . A 3 ILE HD11 . 30789 1
20 . 1 . 1 3 3 ILE HD12 H 1 0.753 0.010 . . . . . . A 3 ILE HD12 . 30789 1
21 . 1 . 1 3 3 ILE HD13 H 1 0.753 0.010 . . . . . . A 3 ILE HD13 . 30789 1
22 . 1 . 1 4 4 ASP H H 1 8.431 0.001 . . . . . . A 4 ASP H . 30789 1
23 . 1 . 1 4 4 ASP HA H 1 4.520 0.004 . . . . . . A 4 ASP HA . 30789 1
24 . 1 . 1 5 5 DBU H H 1 9.158 0.001 . . . . . . A 5 DBU H . 30789 1
25 . 1 . 1 5 5 DBU HB H 1 6.722 0.008 . . . . . . A 5 DBU HB . 30789 1
26 . 1 . 1 5 5 DBU HG1 H 1 1.605 0.002 . . . . . . A 5 DBU HG1 . 30789 1
27 . 1 . 1 5 5 DBU HG2 H 1 1.605 0.002 . . . . . . A 5 DBU HG2 . 30789 1
28 . 1 . 1 5 5 DBU HG3 H 1 1.605 0.002 . . . . . . A 5 DBU HG3 . 30789 1
29 . 1 . 1 6 6 CYS H H 1 7.925 0.001 . . . . . . A 6 CYS H . 30789 1
30 . 1 . 1 6 6 CYS HA H 1 4.681 0.003 . . . . . . A 6 CYS HA . 30789 1
31 . 1 . 1 6 6 CYS HB2 H 1 2.653 0.081 . . . . . . A 6 CYS HB2 . 30789 1
32 . 1 . 1 6 6 CYS HB3 H 1 2.885 0.004 . . . . . . A 6 CYS HB3 . 30789 1
33 . 1 . 1 7 7 PRO HA H 1 4.230 0.008 . . . . . . A 7 PRO HA . 30789 1
34 . 1 . 1 7 7 PRO HB2 H 1 1.828 0.010 . . . . . . A 7 PRO HB2 . 30789 1
35 . 1 . 1 7 7 PRO HB3 H 1 2.155 0.007 . . . . . . A 7 PRO HB3 . 30789 1
36 . 1 . 1 7 7 PRO HD2 H 1 3.537 0.008 . . . . . . A 7 PRO HD2 . 30789 1
37 . 1 . 1 7 7 PRO HD3 H 1 3.595 0.002 . . . . . . A 7 PRO HD3 . 30789 1
38 . 1 . 1 8 8 ALA H H 1 8.231 0.001 . . . . . . A 8 ALA H . 30789 1
39 . 1 . 1 8 8 ALA HA H 1 4.112 0.008 . . . . . . A 8 ALA HA . 30789 1
40 . 1 . 1 8 8 ALA HB1 H 1 1.262 0.005 . . . . . . A 8 ALA HB1 . 30789 1
41 . 1 . 1 8 8 ALA HB2 H 1 1.262 0.005 . . . . . . A 8 ALA HB2 . 30789 1
42 . 1 . 1 8 8 ALA HB3 H 1 1.262 0.005 . . . . . . A 8 ALA HB3 . 30789 1
43 . 1 . 1 9 9 GLY H H 1 8.123 0.002 . . . . . . A 9 GLY H . 30789 1
44 . 1 . 1 9 9 GLY HA2 H 1 3.727 0.005 . . . . . . A 9 GLY HA2 . 30789 1
45 . 1 . 1 9 9 GLY HA3 H 1 4.045 0.006 . . . . . . A 9 GLY HA3 . 30789 1
46 . 1 . 1 10 10 GLY H H 1 8.217 0.006 . . . . . . A 10 GLY H . 30789 1
47 . 1 . 1 10 10 GLY HA2 H 1 3.789 0.009 . . . . . . A 10 GLY HA2 . 30789 1
48 . 1 . 1 10 10 GLY HA3 H 1 3.963 0.013 . . . . . . A 10 GLY HA3 . 30789 1
49 . 1 . 1 11 11 GLY H H 1 8.424 0.005 . . . . . . A 11 GLY H . 30789 1
50 . 1 . 1 11 11 GLY HA2 H 1 3.723 0.062 . . . . . . A 11 GLY HA2 . 30789 1
51 . 1 . 1 11 11 GLY HA3 H 1 3.823 0.006 . . . . . . A 11 GLY HA3 . 30789 1
52 . 1 . 1 12 12 DBB H H 1 7.740 0.007 . . . . . . A 12 DBB H . 30789 1
53 . 1 . 1 12 12 DBB HA H 1 4.400 0.007 . . . . . . A 12 DBB HA . 30789 1
54 . 1 . 1 13 13 DAL H H 1 8.395 0.001 . . . . . . A 13 DAL H . 30789 1
55 . 1 . 1 13 13 DAL HA H 1 4.365 0.002 . . . . . . A 13 DAL HA . 30789 1
56 . 1 . 1 13 13 DAL HB1 H 1 2.872 0.008 . . . . . . A 13 DAL HB1 . 30789 1
57 . 1 . 1 13 13 DAL HB2 H 1 2.810 0.006 . . . . . . A 13 DAL HB2 . 30789 1
58 . 1 . 1 14 14 GLU H H 1 8.051 0.001 . . . . . . A 14 GLU H . 30789 1
59 . 1 . 1 14 14 GLU HA H 1 4.191 0.007 . . . . . . A 14 GLU HA . 30789 1
60 . 1 . 1 14 14 GLU HB2 H 1 1.789 0.001 . . . . . . A 14 GLU HB2 . 30789 1
61 . 1 . 1 14 14 GLU HB3 H 1 2.033 0.005 . . . . . . A 14 GLU HB3 . 30789 1
62 . 1 . 1 14 14 GLU HG2 H 1 2.218 0.005 . . . . . . A 14 GLU HG2 . 30789 1
63 . 1 . 1 14 14 GLU HG3 H 1 2.218 0.005 . . . . . . A 14 GLU HG3 . 30789 1
64 . 1 . 1 15 15 GLN H H 1 8.392 0.002 . . . . . . A 15 GLN H . 30789 1
65 . 1 . 1 15 15 GLN HA H 1 4.131 0.008 . . . . . . A 15 GLN HA . 30789 1
66 . 1 . 1 15 15 GLN HB2 H 1 1.855 0.003 . . . . . . A 15 GLN HB2 . 30789 1
67 . 1 . 1 15 15 GLN HB3 H 1 1.992 0.002 . . . . . . A 15 GLN HB3 . 30789 1
68 . 1 . 1 15 15 GLN HG2 H 1 2.244 0.007 . . . . . . A 15 GLN HG2 . 30789 1
69 . 1 . 1 15 15 GLN HG3 H 1 2.244 0.007 . . . . . . A 15 GLN HG3 . 30789 1
70 . 1 . 1 16 16 DBB H H 1 6.970 0.001 . . . . . . A 16 DBB H . 30789 1
71 . 1 . 1 16 16 DBB HA H 1 4.726 0.008 . . . . . . A 16 DBB HA . 30789 1
72 . 1 . 1 17 17 GLY H H 1 8.370 0.003 . . . . . . A 17 GLY H . 30789 1
73 . 1 . 1 17 17 GLY HA2 H 1 3.785 0.013 . . . . . . A 17 GLY HA2 . 30789 1
74 . 1 . 1 17 17 GLY HA3 H 1 4.389 0.011 . . . . . . A 17 GLY HA3 . 30789 1
75 . 1 . 1 18 18 DBU H H 1 9.769 0.001 . . . . . . A 18 DBU H . 30789 1
76 . 1 . 1 18 18 DBU HB H 1 6.508 0.000 . . . . . . A 18 DBU HB . 30789 1
77 . 1 . 1 18 18 DBU HG1 H 1 1.661 0.007 . . . . . . A 18 DBU HG1 . 30789 1
78 . 1 . 1 18 18 DBU HG2 H 1 1.661 0.007 . . . . . . A 18 DBU HG2 . 30789 1
79 . 1 . 1 18 18 DBU HG3 H 1 1.661 0.007 . . . . . . A 18 DBU HG3 . 30789 1
80 . 1 . 1 19 19 CYS H H 1 7.594 0.001 . . . . . . A 19 CYS H . 30789 1
81 . 1 . 1 19 19 CYS HA H 1 4.537 0.004 . . . . . . A 19 CYS HA . 30789 1
82 . 1 . 1 19 19 CYS HB2 H 1 2.541 0.021 . . . . . . A 19 CYS HB2 . 30789 1
83 . 1 . 1 19 19 CYS HB3 H 1 3.242 0.007 . . . . . . A 19 CYS HB3 . 30789 1
84 . 1 . 1 20 20 CYS HA H 1 3.979 0.008 . . . . . . A 20 CYS HA . 30789 1
85 . 1 . 1 20 20 CYS HB2 H 1 2.836 0.009 . . . . . . A 20 CYS HB2 . 30789 1
86 . 1 . 1 20 20 CYS HB3 H 1 3.362 0.003 . . . . . . A 20 CYS HB3 . 30789 1
stop_
save_