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 52894
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Mo1033
_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 .
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_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
3 '2D 1H-1H TOCSY' . . . 52894 1
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_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $software_2 . . 52894 1
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_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 HA H 1 4.220 0.002 . 1 . . . . . 1 CYS HA . 52894 1
2 . 1 . 1 1 1 CYS HB2 H 1 3.501 0.010 . 2 . . . . . 1 CYS HB2 . 52894 1
3 . 1 . 1 1 1 CYS HB3 H 1 3.281 0.007 . 2 . . . . . 1 CYS HB3 . 52894 1
4 . 1 . 1 2 2 PHE H H 1 9.145 0.003 . 1 . . . . . 2 PHE H . 52894 1
5 . 1 . 1 2 2 PHE HA H 1 4.822 0.004 . 1 . . . . . 2 PHE HA . 52894 1
6 . 1 . 1 2 2 PHE HB2 H 1 3.271 0.004 . 2 . . . . . 2 PHE HB2 . 52894 1
7 . 1 . 1 2 2 PHE HB3 H 1 3.075 0.003 . 2 . . . . . 2 PHE HB3 . 52894 1
8 . 1 . 1 2 2 PHE HD1 H 1 7.331 0.003 . 1 . . . . . 2 PHE HD1 . 52894 1
9 . 1 . 1 2 2 PHE HD2 H 1 7.331 0.003 . 1 . . . . . 2 PHE HD2 . 52894 1
10 . 1 . 1 2 2 PHE HE1 H 1 7.389 0.004 . 1 . . . . . 2 PHE HE1 . 52894 1
11 . 1 . 1 2 2 PHE HE2 H 1 7.389 0.004 . 1 . . . . . 2 PHE HE2 . 52894 1
12 . 1 . 1 3 3 ILE H H 1 8.010 0.004 . 1 . . . . . 3 ILE H . 52894 1
13 . 1 . 1 3 3 ILE HA H 1 4.146 0.002 . 1 . . . . . 3 ILE HA . 52894 1
14 . 1 . 1 3 3 ILE HB H 1 1.948 0.003 . 1 . . . . . 3 ILE HB . 52894 1
15 . 1 . 1 3 3 ILE HG12 H 1 1.323 0.007 . 1 . . . . . 3 ILE HG12 . 52894 1
16 . 1 . 1 3 3 ILE HG13 H 1 1.323 0.007 . 1 . . . . . 3 ILE HG13 . 52894 1
17 . 1 . 1 3 3 ILE HG21 H 1 1.086 0.005 . 1 . . . . . 3 ILE HG21 . 52894 1
18 . 1 . 1 3 3 ILE HG22 H 1 1.086 0.005 . 1 . . . . . 3 ILE HG22 . 52894 1
19 . 1 . 1 3 3 ILE HG23 H 1 1.086 0.005 . 1 . . . . . 3 ILE HG23 . 52894 1
20 . 1 . 1 3 3 ILE HD11 H 1 0.900 0.004 . 1 . . . . . 3 ILE HD11 . 52894 1
21 . 1 . 1 3 3 ILE HD12 H 1 0.900 0.004 . 1 . . . . . 3 ILE HD12 . 52894 1
22 . 1 . 1 3 3 ILE HD13 H 1 0.900 0.004 . 1 . . . . . 3 ILE HD13 . 52894 1
23 . 1 . 1 4 4 ARG H H 1 8.198 0.003 . 1 . . . . . 4 ARG H . 52894 1
24 . 1 . 1 4 4 ARG HA H 1 4.088 0.002 . 1 . . . . . 4 ARG HA . 52894 1
25 . 1 . 1 4 4 ARG HB2 H 1 1.828 0.002 . 1 . . . . . 4 ARG HB2 . 52894 1
26 . 1 . 1 4 4 ARG HB3 H 1 1.828 0.002 . 1 . . . . . 4 ARG HB3 . 52894 1
27 . 1 . 1 4 4 ARG HG2 H 1 1.634 0.005 . 1 . . . . . 4 ARG HG2 . 52894 1
28 . 1 . 1 4 4 ARG HG3 H 1 1.634 0.005 . 1 . . . . . 4 ARG HG3 . 52894 1
29 . 1 . 1 4 4 ARG HD2 H 1 3.219 0.002 . 1 . . . . . 4 ARG HD2 . 52894 1
30 . 1 . 1 4 4 ARG HD3 H 1 3.219 0.002 . 1 . . . . . 4 ARG HD3 . 52894 1
31 . 1 . 1 4 4 ARG HE H 1 7.301 0.003 . 1 . . . . . 4 ARG HE . 52894 1
32 . 1 . 1 4 4 ARG HH11 H 1 6.948 0.000 . 1 . . . . . 4 ARG HH11 . 52894 1
33 . 1 . 1 4 4 ARG HH22 H 1 6.948 0.000 . 1 . . . . . 4 ARG HH22 . 52894 1
34 . 1 . 1 4 4 ARG CB C 13 26.637 0.000 . 1 . . . . . 4 ARG CB . 52894 1
35 . 1 . 1 5 5 ASN H H 1 8.470 0.002 . 1 . . . . . 5 ASN H . 52894 1
36 . 1 . 1 5 5 ASN HA H 1 4.727 0.001 . 1 . . . . . 5 ASN HA . 52894 1
37 . 1 . 1 5 5 ASN HB2 H 1 2.867 0.001 . 1 . . . . . 5 ASN HB2 . 52894 1
38 . 1 . 1 5 5 ASN HB3 H 1 2.867 0.001 . 1 . . . . . 5 ASN HB3 . 52894 1
39 . 1 . 1 5 5 ASN HD21 H 1 7.750 0.003 . 1 . . . . . 5 ASN HD21 . 52894 1
40 . 1 . 1 5 5 ASN HD22 H 1 7.011 0.002 . 1 . . . . . 5 ASN HD22 . 52894 1
41 . 1 . 1 6 6 CYS H H 1 8.341 0.002 . 1 . . . . . 6 CYS H . 52894 1
42 . 1 . 1 6 6 CYS HA H 1 4.830 0.002 . 1 . . . . . 6 CYS HA . 52894 1
43 . 1 . 1 6 6 CYS HB2 H 1 2.974 0.005 . 2 . . . . . 6 CYS HB2 . 52894 1
44 . 1 . 1 6 6 CYS HB3 H 1 3.251 0.008 . 2 . . . . . 6 CYS HB3 . 52894 1
45 . 1 . 1 7 7 PRO HA H 1 4.451 0.001 . 1 . . . . . 7 PRO HA . 52894 1
46 . 1 . 1 7 7 PRO HB2 H 1 2.306 0.006 . 2 . . . . . 7 PRO HB2 . 52894 1
47 . 1 . 1 7 7 PRO HB3 H 1 1.938 0.008 . 2 . . . . . 7 PRO HB3 . 52894 1
48 . 1 . 1 7 7 PRO HG2 H 1 2.041 0.007 . 2 . . . . . 7 PRO HG2 . 52894 1
49 . 1 . 1 7 7 PRO HG3 H 1 2.046 0.005 . 2 . . . . . 7 PRO HG3 . 52894 1
50 . 1 . 1 7 7 PRO HD2 H 1 3.783 0.005 . 2 . . . . . 7 PRO HD2 . 52894 1
51 . 1 . 1 7 7 PRO HD3 H 1 3.720 0.004 . 2 . . . . . 7 PRO HD3 . 52894 1
52 . 1 . 1 7 7 PRO CA C 13 59.774 0.000 . 1 . . . . . 7 PRO CA . 52894 1
53 . 1 . 1 7 7 PRO CB C 13 28.589 0.056 . 1 . . . . . 7 PRO CB . 52894 1
54 . 1 . 1 7 7 PRO CG C 13 23.969 0.000 . 1 . . . . . 7 PRO CG . 52894 1
55 . 1 . 1 7 7 PRO CD C 13 47.171 0.002 . 1 . . . . . 7 PRO CD . 52894 1
56 . 1 . 1 8 8 LYS H H 1 8.766 0.002 . 1 . . . . . 8 LYS H . 52894 1
57 . 1 . 1 8 8 LYS HA H 1 4.264 0.002 . 1 . . . . . 8 LYS HA . 52894 1
58 . 1 . 1 8 8 LYS HB2 H 1 1.832 0.014 . 1 . . . . . 8 LYS HB2 . 52894 1
59 . 1 . 1 8 8 LYS HB3 H 1 1.832 0.014 . 1 . . . . . 8 LYS HB3 . 52894 1
60 . 1 . 1 8 8 LYS HG2 H 1 1.479 0.005 . 1 . . . . . 8 LYS HG2 . 52894 1
61 . 1 . 1 8 8 LYS HG3 H 1 1.479 0.005 . 1 . . . . . 8 LYS HG3 . 52894 1
62 . 1 . 1 8 8 LYS HD2 H 1 1.695 0.003 . 1 . . . . . 8 LYS HD2 . 52894 1
63 . 1 . 1 8 8 LYS HD3 H 1 1.695 0.003 . 1 . . . . . 8 LYS HD3 . 52894 1
64 . 1 . 1 8 8 LYS HE2 H 1 3.009 0.002 . 1 . . . . . 8 LYS HE2 . 52894 1
65 . 1 . 1 8 8 LYS HE3 H 1 3.009 0.002 . 1 . . . . . 8 LYS HE3 . 52894 1
66 . 1 . 1 8 8 LYS HZ1 H 1 7.603 0.005 . 1 . . . . . 8 LYS HZ1 . 52894 1
67 . 1 . 1 8 8 LYS HZ2 H 1 7.603 0.005 . 1 . . . . . 8 LYS HZ2 . 52894 1
68 . 1 . 1 8 8 LYS HZ3 H 1 7.603 0.005 . 1 . . . . . 8 LYS HZ3 . 52894 1
69 . 1 . 1 8 8 LYS CB C 13 29.302 0.000 . 1 . . . . . 8 LYS CB . 52894 1
70 . 1 . 1 9 9 GLY H H 1 8.593 0.004 . 1 . . . . . 9 GLY H . 52894 1
71 . 1 . 1 9 9 GLY HA2 H 1 3.920 0.002 . 1 . . . . . 9 GLY HA2 . 52894 1
72 . 1 . 1 9 9 GLY HA3 H 1 3.920 0.002 . 1 . . . . . 9 GLY HA3 . 52894 1
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