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 36274
_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 DQF-COSY' 1 $sample_1 isotropic 36274 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36274 1
3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36274 1
4 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36274 1
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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 3.614 0.011 . 2 . . . . A 1 GLY HA2 . 36274 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.652 0.001 . 2 . . . . A 1 GLY HA3 . 36274 1
3 . 1 . 1 1 1 GLY CA C 13 43.048 0.010 . 1 . . . . A 1 GLY CA . 36274 1
4 . 1 . 1 2 2 PHE H H 1 8.439 0.004 . 1 . . . . A 2 PHE H . 36274 1
5 . 1 . 1 2 2 PHE HA H 1 4.486 0.006 . 1 . . . . A 2 PHE HA . 36274 1
6 . 1 . 1 2 2 PHE HB2 H 1 2.895 0.012 . 2 . . . . A 2 PHE HB2 . 36274 1
7 . 1 . 1 2 2 PHE HB3 H 1 2.941 0.024 . 2 . . . . A 2 PHE HB3 . 36274 1
8 . 1 . 1 2 2 PHE HD1 H 1 7.088 0.003 . 1 . . . . A 2 PHE HD1 . 36274 1
9 . 1 . 1 2 2 PHE HD2 H 1 7.088 0.003 . 1 . . . . A 2 PHE HD2 . 36274 1
10 . 1 . 1 2 2 PHE HE1 H 1 7.176 0.004 . 1 . . . . A 2 PHE HE1 . 36274 1
11 . 1 . 1 2 2 PHE HE2 H 1 7.176 0.004 . 1 . . . . A 2 PHE HE2 . 36274 1
12 . 1 . 1 2 2 PHE CA C 13 57.850 0.050 . 1 . . . . A 2 PHE CA . 36274 1
13 . 1 . 1 2 2 PHE CB C 13 39.760 0.009 . 1 . . . . A 2 PHE CB . 36274 1
14 . 1 . 1 3 3 ARG H H 1 8.195 0.005 . 1 . . . . A 3 ARG H . 36274 1
15 . 1 . 1 3 3 ARG HA H 1 4.084 0.004 . 1 . . . . A 3 ARG HA . 36274 1
16 . 1 . 1 3 3 ARG HB2 H 1 1.492 0.003 . 2 . . . . A 3 ARG HB2 . 36274 1
17 . 1 . 1 3 3 ARG HB3 H 1 1.576 0.004 . 2 . . . . A 3 ARG HB3 . 36274 1
18 . 1 . 1 3 3 ARG HG2 H 1 1.324 0.006 . 1 . . . . A 3 ARG HG2 . 36274 1
19 . 1 . 1 3 3 ARG HD2 H 1 2.971 0.002 . 1 . . . . A 3 ARG HD2 . 36274 1
20 . 1 . 1 3 3 ARG HE H 1 6.982 0.004 . 1 . . . . A 3 ARG HE . 36274 1
21 . 1 . 1 3 3 ARG CA C 13 55.765 0.016 . 1 . . . . A 3 ARG CA . 36274 1
22 . 1 . 1 3 3 ARG CB C 13 30.738 0.013 . 1 . . . . A 3 ARG CB . 36274 1
23 . 1 . 1 3 3 ARG CG C 13 26.837 0.005 . 1 . . . . A 3 ARG CG . 36274 1
24 . 1 . 1 3 3 ARG CD C 13 43.196 0.012 . 1 . . . . A 3 ARG CD . 36274 1
25 . 1 . 1 4 4 SER H H 1 8.092 0.005 . 1 . . . . A 4 SER H . 36274 1
26 . 1 . 1 4 4 SER HA H 1 4.221 0.005 . 1 . . . . A 4 SER HA . 36274 1
27 . 1 . 1 4 4 SER HB2 H 1 3.648 0.012 . 2 . . . . A 4 SER HB2 . 36274 1
28 . 1 . 1 4 4 SER HB3 H 1 3.680 0.003 . 2 . . . . A 4 SER HB3 . 36274 1
29 . 1 . 1 4 4 SER CA C 13 58.050 0.011 . 1 . . . . A 4 SER CA . 36274 1
30 . 1 . 1 4 4 SER CB C 13 63.712 0.004 . 1 . . . . A 4 SER CB . 36274 1
31 . 1 . 1 5 5 ALA H H 1 8.294 0.005 . 1 . . . . A 5 ALA H . 36274 1
32 . 1 . 1 5 5 ALA HA H 1 4.289 0.004 . 1 . . . . A 5 ALA HA . 36274 1
33 . 1 . 1 5 5 ALA HB1 H 1 1.334 0.006 . 1 . . . . A 5 ALA HB1 . 36274 1
34 . 1 . 1 5 5 ALA HB2 H 1 1.334 0.006 . 1 . . . . A 5 ALA HB2 . 36274 1
35 . 1 . 1 5 5 ALA HB3 H 1 1.334 0.006 . 1 . . . . A 5 ALA HB3 . 36274 1
36 . 1 . 1 5 5 ALA CA C 13 52.133 0.021 . 1 . . . . A 5 ALA CA . 36274 1
37 . 1 . 1 5 5 ALA CB C 13 19.738 0.016 . 1 . . . . A 5 ALA CB . 36274 1
38 . 1 . 1 6 6 CYS H H 1 7.989 0.005 . 1 . . . . A 6 CYS H . 36274 1
39 . 1 . 1 6 6 CYS HA H 1 4.437 0.006 . 1 . . . . A 6 CYS HA . 36274 1
40 . 1 . 1 6 6 CYS HB2 H 1 2.621 0.004 . 2 . . . . A 6 CYS HB2 . 36274 1
41 . 1 . 1 6 6 CYS HB3 H 1 3.139 0.004 . 2 . . . . A 6 CYS HB3 . 36274 1
42 . 1 . 1 6 6 CYS CA C 13 51.807 0.032 . 1 . . . . A 6 CYS CA . 36274 1
43 . 1 . 1 6 6 CYS CB C 13 40.687 0.021 . 1 . . . . A 6 CYS CB . 36274 1
44 . 1 . 1 7 7 PRO HA H 1 4.744 0.005 . 1 . . . . A 7 PRO HA . 36274 1
45 . 1 . 1 7 7 PRO HB2 H 1 2.270 0.005 . 2 . . . . A 7 PRO HB2 . 36274 1
46 . 1 . 1 7 7 PRO HB3 H 1 1.830 0.014 . 2 . . . . A 7 PRO HB3 . 36274 1
47 . 1 . 1 7 7 PRO HG2 H 1 1.785 0.005 . 2 . . . . A 7 PRO HG2 . 36274 1
48 . 1 . 1 7 7 PRO HG3 H 1 1.679 0.006 . 2 . . . . A 7 PRO HG3 . 36274 1
49 . 1 . 1 7 7 PRO HD2 H 1 3.473 0.004 . 2 . . . . A 7 PRO HD2 . 36274 1
50 . 1 . 1 7 7 PRO HD3 H 1 3.355 0.003 . 2 . . . . A 7 PRO HD3 . 36274 1
51 . 1 . 1 7 7 PRO CA C 13 62.824 0.026 . 1 . . . . A 7 PRO CA . 36274 1
52 . 1 . 1 7 7 PRO CB C 13 33.022 0.013 . 1 . . . . A 7 PRO CB . 36274 1
53 . 1 . 1 7 7 PRO CG C 13 24.441 0.005 . 1 . . . . A 7 PRO CG . 36274 1
54 . 1 . 1 7 7 PRO CD C 13 50.024 0.047 . 1 . . . . A 7 PRO CD . 36274 1
55 . 1 . 1 8 8 PRO HA H 1 4.419 0.006 . 1 . . . . A 8 PRO HA . 36274 1
56 . 1 . 1 8 8 PRO HB2 H 1 1.860 0.008 . 2 . . . . A 8 PRO HB2 . 36274 1
57 . 1 . 1 8 8 PRO HB3 H 1 1.673 0.006 . 2 . . . . A 8 PRO HB3 . 36274 1
58 . 1 . 1 8 8 PRO HG2 H 1 0.385 0.004 . 2 . . . . A 8 PRO HG2 . 36274 1
59 . 1 . 1 8 8 PRO HG3 H 1 1.430 0.004 . 2 . . . . A 8 PRO HG3 . 36274 1
60 . 1 . 1 8 8 PRO HD2 H 1 3.234 0.006 . 1 . . . . A 8 PRO HD2 . 36274 1
61 . 1 . 1 8 8 PRO CA C 13 63.602 0.032 . 1 . . . . A 8 PRO CA . 36274 1
62 . 1 . 1 8 8 PRO CB C 13 33.949 0.009 . 1 . . . . A 8 PRO CB . 36274 1
63 . 1 . 1 8 8 PRO CG C 13 22.861 0.016 . 1 . . . . A 8 PRO CG . 36274 1
64 . 1 . 1 8 8 PRO CD C 13 49.761 0.055 . 1 . . . . A 8 PRO CD . 36274 1
65 . 1 . 1 9 9 PHE H H 1 8.958 0.005 . 1 . . . . A 9 PHE H . 36274 1
66 . 1 . 1 9 9 PHE HA H 1 4.784 0.012 . 1 . . . . A 9 PHE HA . 36274 1
67 . 1 . 1 9 9 PHE HB2 H 1 2.863 0.004 . 2 . . . . A 9 PHE HB2 . 36274 1
68 . 1 . 1 9 9 PHE HB3 H 1 2.941 0.006 . 2 . . . . A 9 PHE HB3 . 36274 1
69 . 1 . 1 9 9 PHE HD1 H 1 7.260 0.012 . 1 . . . . A 9 PHE HD1 . 36274 1
70 . 1 . 1 9 9 PHE HD2 H 1 7.260 0.012 . 1 . . . . A 9 PHE HD2 . 36274 1
71 . 1 . 1 9 9 PHE HE1 H 1 7.252 0.012 . 1 . . . . A 9 PHE HE1 . 36274 1
72 . 1 . 1 9 9 PHE HE2 H 1 7.252 0.012 . 1 . . . . A 9 PHE HE2 . 36274 1
73 . 1 . 1 9 9 PHE CA C 13 57.240 0.081 . 1 . . . . A 9 PHE CA . 36274 1
74 . 1 . 1 9 9 PHE CB C 13 36.624 0.018 . 1 . . . . A 9 PHE CB . 36274 1
75 . 1 . 1 10 10 CYS H H 1 7.924 0.004 . 1 . . . . A 10 CYS H . 36274 1
76 . 1 . 1 10 10 CYS HA H 1 4.581 0.012 . 1 . . . . A 10 CYS HA . 36274 1
77 . 1 . 1 10 10 CYS HB2 H 1 3.191 0.005 . 2 . . . . A 10 CYS HB2 . 36274 1
78 . 1 . 1 10 10 CYS HB3 H 1 2.789 0.006 . 2 . . . . A 10 CYS HB3 . 36274 1
79 . 1 . 1 10 10 CYS CA C 13 54.332 0.016 . 1 . . . . A 10 CYS CA . 36274 1
80 . 1 . 1 10 10 CYS CB C 13 45.235 0.008 . 1 . . . . A 10 CYS CB . 36274 1
81 . 1 . 1 11 11 NH2 HN1 H 1 7.581 0.004 . 1 . . . . A 11 NH2 HN1 . 36274 1
82 . 1 . 1 11 11 NH2 HN2 H 1 7.087 0.003 . 1 . . . . A 11 NH2 HN2 . 36274 1
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