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 30168
_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 NOESY' . . . 30168 1
2 '2D 1H-1H TOCSY' . . . 30168 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 . . 30168 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 4.589 0.013 . 1 . . . A 1 SER HA . 30168 1
2 . 1 1 1 1 SER HB2 H 1 3.854 0.001 . 2 . . . A 1 SER HB2 . 30168 1
3 . 1 1 1 1 SER HB3 H 1 3.854 0.001 . 2 . . . A 1 SER HB3 . 30168 1
4 . 1 1 2 2 THR HA H 1 4.149 0.029 . 1 . . . A 2 THR HA . 30168 1
5 . 1 1 2 2 THR HB H 1 3.913 0.039 . 1 . . . A 2 THR HB . 30168 1
6 . 1 1 2 2 THR HG21 H 1 1.292 0.024 . 2 . . . A 2 THR HG21 . 30168 1
7 . 1 1 2 2 THR HG22 H 1 1.292 0.024 . 2 . . . A 2 THR HG22 . 30168 1
8 . 1 1 2 2 THR HG23 H 1 1.292 0.024 . 2 . . . A 2 THR HG23 . 30168 1
9 . 1 1 3 3 CYS H H 1 8.578 0.004 . 2 . . . A 3 CYS H . 30168 1
10 . 1 1 3 3 CYS HA H 1 4.821 0.011 . 1 . . . A 3 CYS HA . 30168 1
11 . 1 1 3 3 CYS HB2 H 1 3.211 0.005 . 1 . . . A 3 CYS HB2 . 30168 1
12 . 1 1 3 3 CYS HB3 H 1 2.999 0.017 . 1 . . . A 3 CYS HB3 . 30168 1
13 . 1 1 4 4 CYS H H 1 9.185 0.002 . 1 . . . A 4 CYS H . 30168 1
14 . 1 1 4 4 CYS HA H 1 4.879 0.008 . 1 . . . A 4 CYS HA . 30168 1
15 . 1 1 4 4 CYS HB2 H 1 3.197 0.008 . 1 . . . A 4 CYS HB2 . 30168 1
16 . 1 1 4 4 CYS HB3 H 1 2.872 0.003 . 1 . . . A 4 CYS HB3 . 30168 1
17 . 1 1 5 5 GLY H H 1 8.229 0.003 . 1 . . . A 5 GLY H . 30168 1
18 . 1 1 5 5 GLY HA2 H 1 4.441 0.010 . 1 . . . A 5 GLY HA2 . 30168 1
19 . 1 1 5 5 GLY HA3 H 1 3.641 0.009 . 1 . . . A 5 GLY HA3 . 30168 1
20 . 1 1 6 6 TYR H H 1 8.392 0.025 . 1 . . . A 6 TYR H . 30168 1
21 . 1 1 6 6 TYR HA H 1 4.651 0.001 . 1 . . . A 6 TYR HA . 30168 1
22 . 1 1 6 6 TYR HB2 H 1 2.966 0.003 . 2 . . . A 6 TYR HB2 . 30168 1
23 . 1 1 6 6 TYR HB3 H 1 2.966 0.003 . 2 . . . A 6 TYR HB3 . 30168 1
24 . 1 1 6 6 TYR HD1 H 1 7.133 0.006 . 3 . . . A 6 TYR HD1 . 30168 1
25 . 1 1 6 6 TYR HD2 H 1 7.133 0.006 . 3 . . . A 6 TYR HD2 . 30168 1
26 . 1 1 6 6 TYR HE1 H 1 6.807 0.023 . 3 . . . A 6 TYR HE1 . 30168 1
27 . 1 1 6 6 TYR HE2 H 1 6.807 0.023 . 3 . . . A 6 TYR HE2 . 30168 1
28 . 1 1 7 7 ARG H H 1 8.604 0.009 . 1 . . . A 7 ARG H . 30168 1
29 . 1 1 7 7 ARG HA H 1 4.663 0.003 . 1 . . . A 7 ARG HA . 30168 1
30 . 1 1 7 7 ARG HB2 H 1 1.792 0.005 . 2 . . . A 7 ARG HB2 . 30168 1
31 . 1 1 7 7 ARG HB3 H 1 1.792 0.005 . 2 . . . A 7 ARG HB3 . 30168 1
32 . 1 1 7 7 ARG HG2 H 1 1.662 0.002 . 2 . . . A 7 ARG HG2 . 30168 1
33 . 1 1 7 7 ARG HG3 H 1 1.662 0.002 . 2 . . . A 7 ARG HG3 . 30168 1
34 . 1 1 7 7 ARG HD2 H 1 3.833 0.000 . 2 . . . A 7 ARG HD2 . 30168 1
35 . 1 1 7 7 ARG HD3 H 1 3.833 0.000 . 2 . . . A 7 ARG HD3 . 30168 1
36 . 1 1 7 7 ARG HH11 H 1 7.767 0.060 . 2 . . . A 7 ARG HH11 . 30168 1
37 . 1 1 7 7 ARG HH12 H 1 7.767 0.060 . 2 . . . A 7 ARG HH12 . 30168 1
38 . 1 1 7 7 ARG HH21 H 1 7.248 0.001 . 2 . . . A 7 ARG HH21 . 30168 1
39 . 1 1 7 7 ARG HH22 H 1 7.248 0.001 . 2 . . . A 7 ARG HH22 . 30168 1
40 . 1 1 8 8 MET H H 1 7.628 0.002 . 1 . . . A 8 MET H . 30168 1
41 . 1 1 8 8 MET HA H 1 4.432 0.004 . 1 . . . A 8 MET HA . 30168 1
42 . 1 1 8 8 MET HB2 H 1 1.904 0.013 . 2 . . . A 8 MET HB2 . 30168 1
43 . 1 1 8 8 MET HB3 H 1 1.904 0.013 . 2 . . . A 8 MET HB3 . 30168 1
44 . 1 1 8 8 MET HG2 H 1 2.389 0.005 . 2 . . . A 8 MET HG2 . 30168 1
45 . 1 1 8 8 MET HG3 H 1 2.389 0.005 . 2 . . . A 8 MET HG3 . 30168 1
46 . 1 1 8 8 MET HE1 H 1 2.074 0.009 . 2 . . . A 8 MET HE1 . 30168 1
47 . 1 1 8 8 MET HE2 H 1 2.074 0.009 . 2 . . . A 8 MET HE2 . 30168 1
48 . 1 1 8 8 MET HE3 H 1 2.074 0.009 . 2 . . . A 8 MET HE3 . 30168 1
49 . 1 1 9 9 CYS H H 1 8.671 0.012 . 1 . . . A 9 CYS H . 30168 1
50 . 1 1 9 9 CYS HA H 1 4.738 0.007 . 1 . . . A 9 CYS HA . 30168 1
51 . 1 1 9 9 CYS HB2 H 1 3.367 0.003 . 1 . . . A 9 CYS HB2 . 30168 1
52 . 1 1 9 9 CYS HB3 H 1 2.833 0.018 . 1 . . . A 9 CYS HB3 . 30168 1
53 . 1 1 10 10 VAL H H 1 8.604 0.006 . 1 . . . A 10 VAL H . 30168 1
54 . 1 1 10 10 VAL HA H 1 4.668 0.010 . 1 . . . A 10 VAL HA . 30168 1
55 . 1 1 10 10 VAL HB H 1 2.099 0.011 . 1 . . . A 10 VAL HB . 30168 1
56 . 1 1 10 10 VAL HG11 H 1 0.929 0.006 . 2 . . . A 10 VAL HG11 . 30168 1
57 . 1 1 10 10 VAL HG12 H 1 0.929 0.006 . 2 . . . A 10 VAL HG12 . 30168 1
58 . 1 1 10 10 VAL HG13 H 1 0.929 0.006 . 2 . . . A 10 VAL HG13 . 30168 1
59 . 1 1 10 10 VAL HG21 H 1 0.789 0.006 . 2 . . . A 10 VAL HG21 . 30168 1
60 . 1 1 10 10 VAL HG22 H 1 0.789 0.006 . 2 . . . A 10 VAL HG22 . 30168 1
61 . 1 1 10 10 VAL HG23 H 1 0.789 0.006 . 2 . . . A 10 VAL HG23 . 30168 1
62 . 1 1 11 11 PRO HA H 1 4.503 0.000 . 1 . . . A 11 PRO HA . 30168 1
63 . 1 1 11 11 PRO HB2 H 1 2.326 0.006 . 1 . . . A 11 PRO HB2 . 30168 1
64 . 1 1 11 11 PRO HB3 H 1 1.833 0.012 . 1 . . . A 11 PRO HB3 . 30168 1
65 . 1 1 11 11 PRO HG2 H 1 2.109 0.008 . 1 . . . A 11 PRO HG2 . 30168 1
66 . 1 1 11 11 PRO HG3 H 1 1.957 0.010 . 1 . . . A 11 PRO HG3 . 30168 1
67 . 1 1 11 11 PRO HD2 H 1 3.858 0.007 . 1 . . . A 11 PRO HD2 . 30168 1
68 . 1 1 11 11 PRO HD3 H 1 3.622 0.005 . 1 . . . A 11 PRO HD3 . 30168 1
69 . 1 1 12 12 CYS H H 1 8.753 0.082 . 1 . . . A 12 CYS H . 30168 1
70 . 1 1 12 12 CYS HA H 1 4.499 0.009 . 1 . . . A 12 CYS HA . 30168 1
71 . 1 1 12 12 CYS HB2 H 1 3.170 0.010 . 1 . . . A 12 CYS HB2 . 30168 1
72 . 1 1 12 12 CYS HB3 H 1 2.881 0.004 . 1 . . . A 12 CYS HB3 . 30168 1
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