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 36150
_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 36150 1
2 '2D trNOESY' 1 $sample_1 isotropic 36150 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.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 2 2 ALA H H 1 8.664 0.006 . 1 . . . . A 2 ALA H . 36150 1
2 . 1 1 2 2 ALA HA H 1 4.390 0.002 . 1 . . . . A 2 ALA HA . 36150 1
3 . 1 1 2 2 ALA HB1 H 1 1.385 0.004 . 1 . . . . A 2 ALA HB1 . 36150 1
4 . 1 1 2 2 ALA HB2 H 1 1.385 0.004 . 1 . . . . A 2 ALA HB2 . 36150 1
5 . 1 1 2 2 ALA HB3 H 1 1.385 0.004 . 1 . . . . A 2 ALA HB3 . 36150 1
6 . 1 1 3 3 ARG H H 1 8.511 0.015 . 1 . . . . A 3 ARG H . 36150 1
7 . 1 1 3 3 ARG HA H 1 4.255 0.002 . 1 . . . . A 3 ARG HA . 36150 1
8 . 1 1 3 3 ARG HB2 H 1 1.743 0.000 . 2 . . . . A 3 ARG HB2 . 36150 1
9 . 1 1 3 3 ARG HB3 H 1 1.743 0.000 . 2 . . . . A 3 ARG HB3 . 36150 1
10 . 1 1 3 3 ARG HG2 H 1 1.601 0.000 . 2 . . . . A 3 ARG HG2 . 36150 1
11 . 1 1 3 3 ARG HG3 H 1 1.601 0.000 . 2 . . . . A 3 ARG HG3 . 36150 1
12 . 1 1 3 3 ARG HD2 H 1 3.158 0.000 . 2 . . . . A 3 ARG HD2 . 36150 1
13 . 1 1 3 3 ARG HD3 H 1 3.158 0.000 . 2 . . . . A 3 ARG HD3 . 36150 1
14 . 1 1 4 4 GLY H H 1 8.457 0.016 . 1 . . . . A 4 GLY H . 36150 1
15 . 1 1 4 4 GLY HA2 H 1 3.908 0.000 . 2 . . . . A 4 GLY HA2 . 36150 1
16 . 1 1 4 4 GLY HA3 H 1 3.908 0.000 . 2 . . . . A 4 GLY HA3 . 36150 1
17 . 1 1 5 5 TRP H H 1 8.103 0.015 . 1 . . . . A 5 TRP H . 36150 1
18 . 1 1 5 5 TRP HA H 1 4.661 0.001 . 1 . . . . A 5 TRP HA . 36150 1
19 . 1 1 5 5 TRP HB2 H 1 3.349 0.001 . 1 . . . . A 5 TRP HB2 . 36150 1
20 . 1 1 5 5 TRP HB3 H 1 3.256 0.000 . 1 . . . . A 5 TRP HB3 . 36150 1
21 . 1 1 5 5 TRP HE3 H 1 7.628 0.000 . 1 . . . . A 5 TRP HE3 . 36150 1
22 . 1 1 5 5 TRP HZ3 H 1 7.195 0.001 . 1 . . . . A 5 TRP HZ3 . 36150 1
23 . 1 1 5 5 TRP HH2 H 1 7.259 0.004 . 1 . . . . A 5 TRP HH2 . 36150 1
24 . 1 1 6 6 GLY H H 1 8.342 0.013 . 1 . . . . A 6 GLY H . 36150 1
25 . 1 1 6 6 GLY HA2 H 1 3.824 0.000 . 2 . . . . A 6 GLY HA2 . 36150 1
26 . 1 1 6 6 GLY HA3 H 1 3.824 0.000 . 2 . . . . A 6 GLY HA3 . 36150 1
27 . 1 1 7 7 ARG H H 1 8.098 0.012 . 1 . . . . A 7 ARG H . 36150 1
28 . 1 1 7 7 ARG HA H 1 4.270 0.001 . 1 . . . . A 7 ARG HA . 36150 1
29 . 1 1 7 7 ARG HB2 H 1 1.829 0.000 . 1 . . . . A 7 ARG HB2 . 36150 1
30 . 1 1 7 7 ARG HB3 H 1 1.716 0.001 . 1 . . . . A 7 ARG HB3 . 36150 1
31 . 1 1 7 7 ARG HG2 H 1 1.598 0.001 . 2 . . . . A 7 ARG HG2 . 36150 1
32 . 1 1 7 7 ARG HG3 H 1 1.598 0.001 . 2 . . . . A 7 ARG HG3 . 36150 1
33 . 1 1 8 8 LYS H H 1 8.453 0.014 . 1 . . . . A 8 LYS H . 36150 1
34 . 1 1 8 8 LYS HA H 1 4.334 0.000 . 1 . . . . A 8 LYS HA . 36150 1
35 . 1 1 8 8 LYS HB2 H 1 1.821 0.000 . 1 . . . . A 8 LYS HB2 . 36150 1
36 . 1 1 8 8 LYS HB3 H 1 1.743 0.000 . 1 . . . . A 8 LYS HB3 . 36150 1
37 . 1 1 8 8 LYS HG2 H 1 1.433 0.000 . 2 . . . . A 8 LYS HG2 . 36150 1
38 . 1 1 8 8 LYS HG3 H 1 1.433 0.000 . 2 . . . . A 8 LYS HG3 . 36150 1
39 . 1 1 9 9 CYS H H 1 8.381 0.013 . 1 . . . . A 9 CYS H . 36150 1
40 . 1 1 9 9 CYS HA H 1 4.747 0.001 . 1 . . . . A 9 CYS HA . 36150 1
41 . 1 1 9 9 CYS HB2 H 1 2.878 0.000 . 2 . . . . A 9 CYS HB2 . 36150 1
42 . 1 1 9 9 CYS HB3 H 1 2.878 0.000 . 2 . . . . A 9 CYS HB3 . 36150 1
43 . 1 1 10 10 PRO HA H 1 4.364 0.000 . 1 . . . . A 10 PRO HA . 36150 1
44 . 1 1 10 10 PRO HB2 H 1 2.204 0.117 . 1 . . . . A 10 PRO HB2 . 36150 1
45 . 1 1 10 10 PRO HB3 H 1 1.970 0.117 . 1 . . . . A 10 PRO HB3 . 36150 1
46 . 1 1 10 10 PRO HD2 H 1 3.719 0.000 . 2 . . . . A 10 PRO HD2 . 36150 1
47 . 1 1 10 10 PRO HD3 H 1 3.719 0.000 . 2 . . . . A 10 PRO HD3 . 36150 1
48 . 1 1 11 11 LEU H H 1 8.175 0.016 . 1 . . . . A 11 LEU H . 36150 1
49 . 1 1 11 11 LEU HA H 1 4.267 0.002 . 1 . . . . A 11 LEU HA . 36150 1
50 . 1 1 11 11 LEU HB2 H 1 1.529 0.007 . 2 . . . . A 11 LEU HB2 . 36150 1
51 . 1 1 11 11 LEU HB3 H 1 1.529 0.007 . 2 . . . . A 11 LEU HB3 . 36150 1
52 . 1 1 11 11 LEU HG H 1 1.439 0.001 . 1 . . . . A 11 LEU HG . 36150 1
53 . 1 1 11 11 LEU HD11 H 1 0.857 0.014 . 2 . . . . A 11 LEU HD11 . 36150 1
54 . 1 1 11 11 LEU HD12 H 1 0.857 0.014 . 2 . . . . A 11 LEU HD12 . 36150 1
55 . 1 1 11 11 LEU HD13 H 1 0.857 0.014 . 2 . . . . A 11 LEU HD13 . 36150 1
56 . 1 1 11 11 LEU HD21 H 1 0.857 0.014 . 2 . . . . A 11 LEU HD21 . 36150 1
57 . 1 1 11 11 LEU HD22 H 1 0.857 0.014 . 2 . . . . A 11 LEU HD22 . 36150 1
58 . 1 1 11 11 LEU HD23 H 1 0.857 0.014 . 2 . . . . A 11 LEU HD23 . 36150 1
59 . 1 1 12 12 PHE H H 1 8.165 0.014 . 1 . . . . A 12 PHE H . 36150 1
60 . 1 1 12 12 PHE HA H 1 4.640 0.003 . 1 . . . . A 12 PHE HA . 36150 1
61 . 1 1 12 12 PHE HB2 H 1 3.167 0.002 . 1 . . . . A 12 PHE HB2 . 36150 1
62 . 1 1 12 12 PHE HB3 H 1 3.040 0.002 . 1 . . . . A 12 PHE HB3 . 36150 1
63 . 1 1 12 12 PHE HE1 H 1 7.356 0.001 . 1 . . . . A 12 PHE HE1 . 36150 1
64 . 1 1 12 12 PHE HE2 H 1 7.356 0.001 . 1 . . . . A 12 PHE HE2 . 36150 1
65 . 1 1 12 12 PHE HZ H 1 7.310 0.000 . 1 . . . . A 12 PHE HZ . 36150 1
66 . 1 1 13 13 GLY H H 1 8.361 0.010 . 1 . . . . A 13 GLY H . 36150 1
67 . 1 1 13 13 GLY HA2 H 1 3.908 0.001 . 2 . . . . A 13 GLY HA2 . 36150 1
68 . 1 1 13 13 GLY HA3 H 1 3.908 0.001 . 2 . . . . A 13 GLY HA3 . 36150 1
69 . 1 1 14 14 LYS H H 1 8.232 0.020 . 1 . . . . A 14 LYS H . 36150 1
70 . 1 1 14 14 LYS HA H 1 4.312 0.000 . 1 . . . . A 14 LYS HA . 36150 1
71 . 1 1 14 14 LYS HB2 H 1 1.843 0.000 . 1 . . . . A 14 LYS HB2 . 36150 1
72 . 1 1 14 14 LYS HB3 H 1 1.751 0.000 . 1 . . . . A 14 LYS HB3 . 36150 1
73 . 1 1 14 14 LYS HG2 H 1 1.434 0.000 . 2 . . . . A 14 LYS HG2 . 36150 1
74 . 1 1 14 14 LYS HG3 H 1 1.434 0.000 . 2 . . . . A 14 LYS HG3 . 36150 1
75 . 1 1 15 15 ASN H H 1 8.508 0.010 . 1 . . . . A 15 ASN H . 36150 1
76 . 1 1 15 15 ASN HA H 1 4.683 0.000 . 1 . . . . A 15 ASN HA . 36150 1
77 . 1 1 15 15 ASN HB2 H 1 2.851 0.001 . 1 . . . . A 15 ASN HB2 . 36150 1
78 . 1 1 15 15 ASN HB3 H 1 2.776 0.002 . 1 . . . . A 15 ASN HB3 . 36150 1
79 . 1 1 16 16 LYS H H 1 8.321 0.014 . 1 . . . . A 16 LYS H . 36150 1
80 . 1 1 16 16 LYS HA H 1 4.359 0.000 . 1 . . . . A 16 LYS HA . 36150 1
81 . 1 1 16 16 LYS HB2 H 1 1.875 0.000 . 1 . . . . A 16 LYS HB2 . 36150 1
82 . 1 1 16 16 LYS HB3 H 1 1.763 0.000 . 1 . . . . A 16 LYS HB3 . 36150 1
83 . 1 1 16 16 LYS HG2 H 1 1.437 0.000 . 2 . . . . A 16 LYS HG2 . 36150 1
84 . 1 1 16 16 LYS HG3 H 1 1.437 0.000 . 2 . . . . A 16 LYS HG3 . 36150 1
85 . 1 1 17 17 SER H H 1 8.404 0.009 . 1 . . . . A 17 SER H . 36150 1
86 . 1 1 17 17 SER HA H 1 4.439 0.000 . 1 . . . . A 17 SER HA . 36150 1
87 . 1 1 17 17 SER HB2 H 1 3.889 0.000 . 2 . . . . A 17 SER HB2 . 36150 1
88 . 1 1 17 17 SER HB3 H 1 3.889 0.000 . 2 . . . . A 17 SER HB3 . 36150 1
89 . 1 1 18 18 ARG H H 1 7.995 0.017 . 1 . . . . A 18 ARG H . 36150 1
90 . 1 1 18 18 ARG HA H 1 4.177 0.000 . 1 . . . . A 18 ARG HA . 36150 1
91 . 1 1 18 18 ARG HB2 H 1 1.860 0.000 . 1 . . . . A 18 ARG HB2 . 36150 1
92 . 1 1 18 18 ARG HB3 H 1 1.738 0.000 . 1 . . . . A 18 ARG HB3 . 36150 1
93 . 1 1 18 18 ARG HG2 H 1 1.621 0.000 . 2 . . . . A 18 ARG HG2 . 36150 1
94 . 1 1 18 18 ARG HG3 H 1 1.621 0.000 . 2 . . . . A 18 ARG HG3 . 36150 1
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