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 36023
_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 .
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' 1 $sample_1 isotropic 36023 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36023 1
stop_
loop_
_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 CYS H H 1 8.488 0.002 . 1 . . . A 1 CYS H . 36023 1
2 . 1 1 1 1 CYS HA H 1 5.180 0.010 . 1 . . . A 1 CYS HA . 36023 1
3 . 1 1 1 1 CYS HB2 H 1 2.952 0.001 . . . . . A 1 CYS HB2 . 36023 1
4 . 1 1 1 1 CYS HB3 H 1 2.875 0.009 . . . . . A 1 CYS HB3 . 36023 1
5 . 1 1 2 2 PHE H H 1 8.655 0.002 . 1 . . . A 2 PHE H . 36023 1
6 . 1 1 2 2 PHE HA H 1 4.894 0.000 . 1 . . . A 2 PHE HA . 36023 1
7 . 1 1 2 2 PHE HB2 H 1 3.362 0.002 . . . . . A 2 PHE HB2 . 36023 1
8 . 1 1 2 2 PHE HB3 H 1 3.039 0.002 . . . . . A 2 PHE HB3 . 36023 1
9 . 1 1 2 2 PHE HD1 H 1 7.318 0.002 . . . . . A 2 PHE HD1 . 36023 1
10 . 1 1 3 3 PRO HA H 1 4.409 0.001 . 1 . . . A 3 PRO HA . 36023 1
11 . 1 1 3 3 PRO HB2 H 1 2.417 0.001 . . . . . A 3 PRO HB2 . 36023 1
12 . 1 1 3 3 PRO HB3 H 1 2.173 0.000 . . . . . A 3 PRO HB3 . 36023 1
13 . 1 1 3 3 PRO HG2 H 1 2.064 0.001 . . . . . A 3 PRO HG2 . 36023 1
14 . 1 1 3 3 PRO HD2 H 1 4.027 0.002 . . . . . A 3 PRO HD2 . 36023 1
15 . 1 1 3 3 PRO HD3 H 1 3.960 0.004 . . . . . A 3 PRO HD3 . 36023 1
16 . 1 1 4 4 ASP H H 1 7.933 0.002 . 1 . . . A 4 ASP H . 36023 1
17 . 1 1 4 4 ASP HA H 1 4.557 0.002 . 1 . . . A 4 ASP HA . 36023 1
18 . 1 1 4 4 ASP HB2 H 1 3.129 0.000 . . . . . A 4 ASP HB2 . 36023 1
19 . 1 1 4 4 ASP HB3 H 1 2.823 0.000 . . . . . A 4 ASP HB3 . 36023 1
20 . 1 1 5 5 GLY H H 1 8.412 0.002 . 1 . . . A 5 GLY H . 36023 1
21 . 1 1 5 5 GLY HA2 H 1 4.251 0.002 . . . . . A 5 GLY HA2 . 36023 1
22 . 1 1 5 5 GLY HA3 H 1 3.799 0.002 . . . . . A 5 GLY HA3 . 36023 1
23 . 1 1 6 6 ARG H H 1 7.847 0.002 . 1 . . . A 6 ARG H . 36023 1
24 . 1 1 6 6 ARG HA H 1 4.436 0.002 . 1 . . . A 6 ARG HA . 36023 1
25 . 1 1 6 6 ARG HB2 H 1 1.965 0.005 . . . . . A 6 ARG HB2 . 36023 1
26 . 1 1 6 6 ARG HB3 H 1 1.855 0.002 . . . . . A 6 ARG HB3 . 36023 1
27 . 1 1 6 6 ARG HG2 H 1 1.593 0.005 . . . . . A 6 ARG HG2 . 36023 1
28 . 1 1 6 6 ARG HD2 H 1 3.175 0.000 . . . . . A 6 ARG HD2 . 36023 1
29 . 1 1 6 6 ARG HE H 1 7.417 0.002 . 1 . . . A 6 ARG HE . 36023 1
30 . 1 1 7 7 CYS H H 1 8.562 0.007 . 1 . . . A 7 CYS H . 36023 1
31 . 1 1 7 7 CYS HA H 1 5.481 0.010 . 1 . . . A 7 CYS HA . 36023 1
32 . 1 1 7 7 CYS HB2 H 1 3.098 0.013 . . . . . A 7 CYS HB2 . 36023 1
33 . 1 1 7 7 CYS HB3 H 1 2.713 0.010 . . . . . A 7 CYS HB3 . 36023 1
34 . 1 1 8 8 LYS H H 1 9.166 0.005 . 1 . . . A 8 LYS H . 36023 1
35 . 1 1 8 8 LYS HA H 1 4.529 0.000 . 1 . . . A 8 LYS HA . 36023 1
36 . 1 1 8 8 LYS HB2 H 1 1.880 0.004 . . . . . A 8 LYS HB2 . 36023 1
37 . 1 1 8 8 LYS HB3 H 1 1.831 0.000 . . . . . A 8 LYS HB3 . 36023 1
38 . 1 1 8 8 LYS HG2 H 1 1.465 0.000 . . . . . A 8 LYS HG2 . 36023 1
39 . 1 1 8 8 LYS HD2 H 1 1.723 0.000 . . . . . A 8 LYS HD2 . 36023 1
40 . 1 1 8 8 LYS HE2 H 1 2.931 0.000 . . . . . A 8 LYS HE2 . 36023 1
41 . 1 1 9 9 ARG H H 1 8.668 0.006 . 1 . . . A 9 ARG H . 36023 1
42 . 1 1 9 9 ARG HA H 1 4.217 0.000 . 1 . . . A 9 ARG HA . 36023 1
43 . 1 1 9 9 ARG HB2 H 1 1.790 0.002 . . . . . A 9 ARG HB2 . 36023 1
44 . 1 1 9 9 ARG HB3 H 1 1.615 0.003 . . . . . A 9 ARG HB3 . 36023 1
45 . 1 1 9 9 ARG HG2 H 1 1.418 0.002 . . . . . A 9 ARG HG2 . 36023 1
46 . 1 1 9 9 ARG HE H 1 7.281 0.000 . 1 . . . A 9 ARG HE . 36023 1
47 . 1 1 10 10 PRO HA H 1 4.408 0.000 . 1 . . . A 10 PRO HA . 36023 1
48 . 1 1 10 10 PRO HB2 H 1 2.386 0.000 . . . . . A 10 PRO HB2 . 36023 1
49 . 1 1 10 10 PRO HB3 H 1 2.173 0.000 . . . . . A 10 PRO HB3 . 36023 1
50 . 1 1 10 10 PRO HD2 H 1 3.957 0.000 . . . . . A 10 PRO HD2 . 36023 1
51 . 1 1 10 10 PRO HD3 H 1 4.026 0.000 . . . . . A 10 PRO HD3 . 36023 1
52 . 1 1 11 11 PRO HA H 1 4.351 0.001 . 1 . . . A 11 PRO HA . 36023 1
53 . 1 1 11 11 PRO HB2 H 1 2.280 0.002 . . . . . A 11 PRO HB2 . 36023 1
54 . 1 1 11 11 PRO HB3 H 1 2.166 0.000 . . . . . A 11 PRO HB3 . 36023 1
55 . 1 1 11 11 PRO HG2 H 1 1.938 0.000 . . . . . A 11 PRO HG2 . 36023 1
56 . 1 1 11 11 PRO HD2 H 1 3.915 0.000 . . . . . A 11 PRO HD2 . 36023 1
57 . 1 1 12 12 GLY H H 1 8.640 0.001 . 1 . . . A 12 GLY H . 36023 1
58 . 1 1 12 12 GLY HA2 H 1 3.998 0.001 . . . . . A 12 GLY HA2 . 36023 1
59 . 1 1 12 12 GLY HA3 H 1 3.559 0.000 . . . . . A 12 GLY HA3 . 36023 1
60 . 1 1 13 13 PHE H H 1 7.807 0.006 . 1 . . . A 13 PHE H . 36023 1
61 . 1 1 13 13 PHE HA H 1 4.166 0.000 . 1 . . . A 13 PHE HA . 36023 1
62 . 1 1 13 13 PHE HB2 H 1 3.322 0.004 . . . . . A 13 PHE HB2 . 36023 1
63 . 1 1 13 13 PHE HB3 H 1 2.739 0.003 . . . . . A 13 PHE HB3 . 36023 1
64 . 1 1 14 14 SER H H 1 8.488 0.001 . 1 . . . A 14 SER H . 36023 1
65 . 1 1 14 14 SER HA H 1 4.694 0.002 . 1 . . . A 14 SER HA . 36023 1
66 . 1 1 14 14 SER HB2 H 1 3.926 0.000 . . . . . A 14 SER HB2 . 36023 1
67 . 1 1 14 14 SER HB3 H 1 3.836 0.002 . . . . . A 14 SER HB3 . 36023 1
68 . 1 1 15 15 PRO HA H 1 4.585 0.002 . 1 . . . A 15 PRO HA . 36023 1
69 . 1 1 15 15 PRO HB2 H 1 2.146 0.001 . . . . . A 15 PRO HB2 . 36023 1
70 . 1 1 15 15 PRO HB3 H 1 2.081 0.000 . . . . . A 15 PRO HB3 . 36023 1
71 . 1 1 15 15 PRO HG2 H 1 1.952 0.001 . . . . . A 15 PRO HG2 . 36023 1
72 . 1 1 15 15 PRO HG3 H 1 1.910 0.009 . . . . . A 15 PRO HG3 . 36023 1
73 . 1 1 15 15 PRO HD2 H 1 3.803 0.001 . . . . . A 15 PRO HD2 . 36023 1
74 . 1 1 15 15 PRO HD3 H 1 3.698 0.000 . . . . . A 15 PRO HD3 . 36023 1
75 . 1 1 16 16 LEU H H 1 8.477 0.001 . 1 . . . A 16 LEU H . 36023 1
76 . 1 1 16 16 LEU HA H 1 4.505 0.005 . 1 . . . A 16 LEU HA . 36023 1
77 . 1 1 16 16 LEU HB2 H 1 1.534 0.003 . . . . . A 16 LEU HB2 . 36023 1
78 . 1 1 16 16 LEU HG H 1 1.412 0.000 . 1 . . . A 16 LEU HG . 36023 1
79 . 1 1 16 16 LEU HD11 H 1 0.840 0.003 . . . . . A 16 LEU HD11 . 36023 1
80 . 1 1 16 16 LEU HD12 H 1 0.840 0.003 . . . . . A 16 LEU HD12 . 36023 1
81 . 1 1 16 16 LEU HD13 H 1 0.840 0.003 . . . . . A 16 LEU HD13 . 36023 1
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