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 30167
_Assigned_chem_shift_list.ID 1
_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
1 '2D 1H-1H TOCSY' . . . 30167 1
2 '2D 1H-1H NOESY' . . . 30167 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
1 $software_1 . . 30167 1
2 $software_2 . . 30167 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_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.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 SER HA H 1 4.198 0.003 . 1 . . . A 1 SER HA . 30167 1
2 . 1 1 1 1 SER HB2 H 1 3.999 0.002 . 2 . . . A 1 SER HB2 . 30167 1
3 . 1 1 1 1 SER HB3 H 1 3.999 0.002 . 2 . . . A 1 SER HB3 . 30167 1
4 . 1 1 2 2 THR HA H 1 4.408 0.002 . 1 . . . A 2 THR HA . 30167 1
5 . 1 1 2 2 THR HB H 1 4.175 0.004 . 1 . . . A 2 THR HB . 30167 1
6 . 1 1 2 2 THR HG21 H 1 1.218 0.023 . 2 . . . A 2 THR HG21 . 30167 1
7 . 1 1 2 2 THR HG22 H 1 1.218 0.023 . 2 . . . A 2 THR HG22 . 30167 1
8 . 1 1 2 2 THR HG23 H 1 1.218 0.023 . 2 . . . A 2 THR HG23 . 30167 1
9 . 1 1 3 3 CYS H H 1 8.686 0.003 . 1 . . . A 3 CYS H . 30167 1
10 . 1 1 3 3 CYS HA H 1 4.915 0.003 . 1 . . . A 3 CYS HA . 30167 1
11 . 1 1 3 3 CYS HB2 H 1 3.234 0.005 . 1 . . . A 3 CYS HB2 . 30167 1
12 . 1 1 3 3 CYS HB3 H 1 2.876 0.011 . 1 . . . A 3 CYS HB3 . 30167 1
13 . 1 1 4 4 CYS H H 1 9.183 0.001 . 1 . . . A 4 CYS H . 30167 1
14 . 1 1 4 4 CYS HA H 1 4.915 0.025 . 1 . . . A 4 CYS HA . 30167 1
15 . 1 1 4 4 CYS HB2 H 1 3.234 0.013 . 1 . . . A 4 CYS HB2 . 30167 1
16 . 1 1 4 4 CYS HB3 H 1 2.876 0.002 . 1 . . . A 4 CYS HB3 . 30167 1
17 . 1 1 5 5 GLY H H 1 8.305 0.003 . 1 . . . A 5 GLY H . 30167 1
18 . 1 1 5 5 GLY HA2 H 1 4.487 0.009 . 1 . . . A 5 GLY HA2 . 30167 1
19 . 1 1 5 5 GLY HA3 H 1 3.639 0.003 . 1 . . . A 5 GLY HA3 . 30167 1
20 . 1 1 6 6 TYR H H 1 8.478 0.002 . 1 . . . A 6 TYR H . 30167 1
21 . 1 1 6 6 TYR HA H 1 4.670 0.003 . 1 . . . A 6 TYR HA . 30167 1
22 . 1 1 6 6 TYR HB2 H 1 2.980 0.003 . 2 . . . A 6 TYR HB2 . 30167 1
23 . 1 1 6 6 TYR HB3 H 1 2.980 0.003 . 2 . . . A 6 TYR HB3 . 30167 1
24 . 1 1 6 6 TYR HD1 H 1 7.150 0.008 . 3 . . . A 6 TYR HD1 . 30167 1
25 . 1 1 6 6 TYR HD2 H 1 7.150 0.008 . 3 . . . A 6 TYR HD2 . 30167 1
26 . 1 1 6 6 TYR HE1 H 1 6.839 0.009 . 3 . . . A 6 TYR HE1 . 30167 1
27 . 1 1 6 6 TYR HE2 H 1 6.839 0.009 . 3 . . . A 6 TYR HE2 . 30167 1
28 . 1 1 7 7 ARG H H 1 8.700 0.011 . 1 . . . A 7 ARG H . 30167 1
29 . 1 1 7 7 ARG HA H 1 4.729 0.000 . 1 . . . A 7 ARG HA . 30167 1
30 . 1 1 7 7 ARG HB2 H 1 1.809 0.005 . 2 . . . A 7 ARG HB2 . 30167 1
31 . 1 1 7 7 ARG HB3 H 1 1.809 0.006 . 2 . . . A 7 ARG HB3 . 30167 1
32 . 1 1 7 7 ARG HG2 H 1 1.665 0.012 . 2 . . . A 7 ARG HG2 . 30167 1
33 . 1 1 7 7 ARG HG3 H 1 1.665 0.012 . 2 . . . A 7 ARG HG3 . 30167 1
34 . 1 1 7 7 ARG HD2 H 1 3.831 0.006 . 2 . . . A 7 ARG HD2 . 30167 1
35 . 1 1 7 7 ARG HD3 H 1 3.831 0.006 . 2 . . . A 7 ARG HD3 . 30167 1
36 . 1 1 7 7 ARG HH11 H 1 7.792 0.003 . 2 . . . A 7 ARG HH11 . 30167 1
37 . 1 1 7 7 ARG HH12 H 1 7.792 0.003 . 2 . . . A 7 ARG HH12 . 30167 1
38 . 1 1 7 7 ARG HH21 H 1 7.322 0.000 . 2 . . . A 7 ARG HH21 . 30167 1
39 . 1 1 7 7 ARG HH22 H 1 7.649 0.023 . 1 . . . A 7 ARG HH22 . 30167 1
40 . 1 1 8 8 MET H H 1 4.453 0.003 . 1 . . . A 8 MET H . 30167 1
41 . 1 1 8 8 MET HA H 1 1.896 0.025 . 2 . . . A 8 MET HA . 30167 1
42 . 1 1 8 8 MET HB2 H 1 1.896 0.025 . 2 . . . A 8 MET HB2 . 30167 1
43 . 1 1 8 8 MET HB3 H 1 2.386 0.017 . 2 . . . A 8 MET HB3 . 30167 1
44 . 1 1 8 8 MET HG2 H 1 2.386 0.017 . 2 . . . A 8 MET HG2 . 30167 1
45 . 1 1 8 8 MET HG3 H 1 2.103 0.014 . 2 . . . A 8 MET HG3 . 30167 1
46 . 1 1 8 8 MET HE1 H 1 2.103 0.014 . 2 . . . A 8 MET HE1 . 30167 1
47 . 1 1 8 8 MET HE2 H 1 2.103 0.014 . 2 . . . A 8 MET HE2 . 30167 1
48 . 1 1 8 8 MET HE3 H 1 8.743 0.006 . 1 . . . A 8 MET HE3 . 30167 1
49 . 1 1 9 9 CYS H H 1 4.791 0.014 . 1 . . . A 9 CYS H . 30167 1
50 . 1 1 9 9 CYS HA H 1 3.397 0.004 . 1 . . . A 9 CYS HA . 30167 1
51 . 1 1 9 9 CYS HB2 H 1 2.837 0.005 . 1 . . . A 9 CYS HB2 . 30167 1
52 . 1 1 9 9 CYS HB3 H 1 8.734 0.007 . 1 . . . A 9 CYS HB3 . 30167 1
53 . 1 1 10 10 VAL H H 1 4.728 0.003 . 1 . . . A 10 VAL H . 30167 1
54 . 1 1 10 10 VAL HA H 1 2.155 0.009 . 1 . . . A 10 VAL HA . 30167 1
55 . 1 1 10 10 VAL HB H 1 0.947 0.014 . 2 . . . A 10 VAL HB . 30167 1
56 . 1 1 10 10 VAL HG11 H 1 0.947 0.014 . 2 . . . A 10 VAL HG11 . 30167 1
57 . 1 1 10 10 VAL HG12 H 1 0.947 0.014 . 2 . . . A 10 VAL HG12 . 30167 1
58 . 1 1 10 10 VAL HG13 H 1 0.794 0.004 . 2 . . . A 10 VAL HG13 . 30167 1
59 . 1 1 10 10 VAL HG21 H 1 0.794 0.004 . 2 . . . A 10 VAL HG21 . 30167 1
60 . 1 1 10 10 VAL HG22 H 1 0.794 0.004 . 2 . . . A 10 VAL HG22 . 30167 1
61 . 1 1 10 10 VAL HG23 H 1 4.526 0.000 . 1 . . . A 10 VAL HG23 . 30167 1
62 . 1 1 11 11 PRO HA H 1 2.137 0.001 . 1 . . . A 11 PRO HA . 30167 1
63 . 1 1 11 11 PRO HB2 H 1 1.847 0.010 . 1 . . . A 11 PRO HB2 . 30167 1
64 . 1 1 11 11 PRO HB3 H 1 1.983 0.003 . 2 . . . A 11 PRO HB3 . 30167 1
65 . 1 1 11 11 PRO HG2 H 1 1.983 0.003 . 2 . . . A 11 PRO HG2 . 30167 1
66 . 1 1 11 11 PRO HG3 H 1 3.883 0.006 . 1 . . . A 11 PRO HG3 . 30167 1
67 . 1 1 11 11 PRO HD2 H 1 3.633 0.002 . 1 . . . A 11 PRO HD2 . 30167 1
68 . 1 1 11 11 PRO HD3 H 1 8.865 0.001 . 1 . . . A 11 PRO HD3 . 30167 1
69 . 1 1 12 12 CYS H H 1 4.509 0.012 . 1 . . . A 12 CYS H . 30167 1
70 . 1 1 12 12 CYS HA H 1 3.190 0.007 . 1 . . . A 12 CYS HA . 30167 1
71 . 1 1 12 12 CYS HB2 H 1 2.883 0.007 . 1 . . . A 12 CYS HB2 . 30167 1
72 . 1 1 12 12 CYS HB3 H 1 4.198 0.003 . 1 . . . A 12 CYS HB3 . 30167 1
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