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 34411
_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 TOCSY' . . . 34411 1
stop_
loop_
_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 . . 34411 1
stop_
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 TRP HA H 1 4.390 . . . . . . . A 1 TRP HA . 34411 1
2 . 1 . 1 1 1 TRP HB2 H 1 3.483 . . . . . . . A 1 TRP HB2 . 34411 1
3 . 1 . 1 1 1 TRP HB3 H 1 3.350 . . . . . . . A 1 TRP HB3 . 34411 1
4 . 1 . 1 2 2 LEU H H 1 8.269 . . . . . . . A 2 LEU H . 34411 1
5 . 1 . 1 2 2 LEU HA H 1 4.172 . . . . . . . A 2 LEU HA . 34411 1
6 . 1 . 1 2 2 LEU HB2 H 1 1.653 . . . . . . . A 2 LEU HB2 . 34411 1
7 . 1 . 1 2 2 LEU HB3 H 1 1.501 . . . . . . . A 2 LEU HB3 . 34411 1
8 . 1 . 1 2 2 LEU HG H 1 1.394 . . . . . . . A 2 LEU HG . 34411 1
9 . 1 . 1 2 2 LEU HD11 H 1 0.847 . . . . . . . A 2 LEU HD11 . 34411 1
10 . 1 . 1 2 2 LEU HD12 H 1 0.847 . . . . . . . A 2 LEU HD12 . 34411 1
11 . 1 . 1 2 2 LEU HD13 H 1 0.847 . . . . . . . A 2 LEU HD13 . 34411 1
12 . 1 . 1 2 2 LEU HD21 H 1 0.847 . . . . . . . A 2 LEU HD21 . 34411 1
13 . 1 . 1 2 2 LEU HD22 H 1 0.847 . . . . . . . A 2 LEU HD22 . 34411 1
14 . 1 . 1 2 2 LEU HD23 H 1 0.847 . . . . . . . A 2 LEU HD23 . 34411 1
15 . 1 . 1 3 3 ARG H H 1 7.966 . . . . . . . A 3 ARG H . 34411 1
16 . 1 . 1 3 3 ARG HA H 1 4.134 . . . . . . . A 3 ARG HA . 34411 1
17 . 1 . 1 3 3 ARG HB2 H 1 1.883 . . . . . . . A 3 ARG HB2 . 34411 1
18 . 1 . 1 3 3 ARG HB3 H 1 1.809 . . . . . . . A 3 ARG HB3 . 34411 1
19 . 1 . 1 4 4 ARG H H 1 8.074 . . . . . . . A 4 ARG H . 34411 1
20 . 1 . 1 4 4 ARG HA H 1 4.258 . . . . . . . A 4 ARG HA . 34411 1
21 . 1 . 1 4 4 ARG HB2 H 1 1.879 . . . . . . . A 4 ARG HB2 . 34411 1
22 . 1 . 1 4 4 ARG HB3 H 1 1.879 . . . . . . . A 4 ARG HB3 . 34411 1
23 . 1 . 1 5 5 ILE H H 1 8.307 . . . . . . . A 5 ILE H . 34411 1
24 . 1 . 1 5 5 ILE HA H 1 4.027 . . . . . . . A 5 ILE HA . 34411 1
25 . 1 . 1 5 5 ILE HB H 1 1.815 . . . . . . . A 5 ILE HB . 34411 1
26 . 1 . 1 6 6 GLY H H 1 8.304 . . . . . . . A 6 GLY H . 34411 1
27 . 1 . 1 6 6 GLY HA2 H 1 3.934 . . . . . . . A 6 GLY HA2 . 34411 1
28 . 1 . 1 6 6 GLY HA3 H 1 3.934 . . . . . . . A 6 GLY HA3 . 34411 1
29 . 1 . 1 7 7 LYS H H 1 7.957 . . . . . . . A 7 LYS H . 34411 1
30 . 1 . 1 7 7 LYS HA H 1 4.013 . . . . . . . A 7 LYS HA . 34411 1
31 . 1 . 1 8 8 GLY H H 1 8.210 . . . . . . . A 8 GLY H . 34411 1
32 . 1 . 1 8 8 GLY HA2 H 1 3.934 . . . . . . . A 8 GLY HA2 . 34411 1
33 . 1 . 1 8 8 GLY HA3 H 1 3.934 . . . . . . . A 8 GLY HA3 . 34411 1
34 . 1 . 1 9 9 VAL H H 1 8.287 . . . . . . . A 9 VAL H . 34411 1
35 . 1 . 1 9 9 VAL HA H 1 3.675 . . . . . . . A 9 VAL HA . 34411 1
36 . 1 . 1 10 10 LYS H H 1 7.904 . . . . . . . A 10 LYS H . 34411 1
37 . 1 . 1 10 10 LYS HA H 1 4.063 . . . . . . . A 10 LYS HA . 34411 1
38 . 1 . 1 10 10 LYS HB2 H 1 1.883 . . . . . . . A 10 LYS HB2 . 34411 1
39 . 1 . 1 10 10 LYS HB3 H 1 1.883 . . . . . . . A 10 LYS HB3 . 34411 1
40 . 1 . 1 10 10 LYS HG2 H 1 0.928 . . . . . . . A 10 LYS HG2 . 34411 1
41 . 1 . 1 10 10 LYS HG3 H 1 0.928 . . . . . . . A 10 LYS HG3 . 34411 1
42 . 1 . 1 10 10 LYS HD2 H 1 1.537 . . . . . . . A 10 LYS HD2 . 34411 1
43 . 1 . 1 10 10 LYS HD3 H 1 1.537 . . . . . . . A 10 LYS HD3 . 34411 1
44 . 1 . 1 11 11 ILE H H 1 7.768 . . . . . . . A 11 ILE H . 34411 1
45 . 1 . 1 11 11 ILE HA H 1 3.953 . . . . . . . A 11 ILE HA . 34411 1
46 . 1 . 1 11 11 ILE HB H 1 2.024 . . . . . . . A 11 ILE HB . 34411 1
47 . 1 . 1 11 11 ILE HG21 H 1 0.914 . . . . . . . A 11 ILE HG21 . 34411 1
48 . 1 . 1 11 11 ILE HG22 H 1 0.914 . . . . . . . A 11 ILE HG22 . 34411 1
49 . 1 . 1 11 11 ILE HG23 H 1 0.914 . . . . . . . A 11 ILE HG23 . 34411 1
50 . 1 . 1 12 12 ILE H H 1 8.157 . . . . . . . A 12 ILE H . 34411 1
51 . 1 . 1 12 12 ILE HA H 1 3.812 . . . . . . . A 12 ILE HA . 34411 1
52 . 1 . 1 12 12 ILE HB H 1 1.898 . . . . . . . A 12 ILE HB . 34411 1
53 . 1 . 1 12 12 ILE HG21 H 1 0.910 . . . . . . . A 12 ILE HG21 . 34411 1
54 . 1 . 1 12 12 ILE HG22 H 1 0.910 . . . . . . . A 12 ILE HG22 . 34411 1
55 . 1 . 1 12 12 ILE HG23 H 1 0.910 . . . . . . . A 12 ILE HG23 . 34411 1
56 . 1 . 1 13 13 GLY H H 1 7.936 . . . . . . . A 13 GLY H . 34411 1
57 . 1 . 1 13 13 GLY HA2 H 1 3.844 . . . . . . . A 13 GLY HA2 . 34411 1
58 . 1 . 1 13 13 GLY HA3 H 1 3.844 . . . . . . . A 13 GLY HA3 . 34411 1
59 . 1 . 1 14 14 GLY H H 1 8.238 . . . . . . . A 14 GLY H . 34411 1
60 . 1 . 1 14 14 GLY HA2 H 1 3.808 . . . . . . . A 14 GLY HA2 . 34411 1
61 . 1 . 1 14 14 GLY HA3 H 1 3.808 . . . . . . . A 14 GLY HA3 . 34411 1
62 . 1 . 1 15 15 ALA H H 1 7.844 . . . . . . . A 15 ALA H . 34411 1
63 . 1 . 1 15 15 ALA HA H 1 4.324 . . . . . . . A 15 ALA HA . 34411 1
64 . 1 . 1 15 15 ALA HB1 H 1 1.544 . . . . . . . A 15 ALA HB1 . 34411 1
65 . 1 . 1 15 15 ALA HB2 H 1 1.544 . . . . . . . A 15 ALA HB2 . 34411 1
66 . 1 . 1 15 15 ALA HB3 H 1 1.544 . . . . . . . A 15 ALA HB3 . 34411 1
67 . 1 . 1 16 16 ALA H H 1 8.467 . . . . . . . A 16 ALA H . 34411 1
68 . 1 . 1 16 16 ALA HA H 1 4.047 . . . . . . . A 16 ALA HA . 34411 1
69 . 1 . 1 16 16 ALA HB1 H 1 1.508 . . . . . . . A 16 ALA HB1 . 34411 1
70 . 1 . 1 16 16 ALA HB2 H 1 1.508 . . . . . . . A 16 ALA HB2 . 34411 1
71 . 1 . 1 16 16 ALA HB3 H 1 1.508 . . . . . . . A 16 ALA HB3 . 34411 1
72 . 1 . 1 17 17 LEU H H 1 7.900 . . . . . . . A 17 LEU H . 34411 1
73 . 1 . 1 17 17 LEU HA H 1 3.850 . . . . . . . A 17 LEU HA . 34411 1
74 . 1 . 1 17 17 LEU HB2 H 1 2.004 . . . . . . . A 17 LEU HB2 . 34411 1
75 . 1 . 1 17 17 LEU HB3 H 1 2.004 . . . . . . . A 17 LEU HB3 . 34411 1
76 . 1 . 1 18 18 ASP H H 1 8.052 . . . . . . . A 18 ASP H . 34411 1
77 . 1 . 1 18 18 ASP HA H 1 4.493 . . . . . . . A 18 ASP HA . 34411 1
78 . 1 . 1 18 18 ASP HB2 H 1 2.991 . . . . . . . A 18 ASP HB2 . 34411 1
79 . 1 . 1 18 18 ASP HB3 H 1 2.861 . . . . . . . A 18 ASP HB3 . 34411 1
80 . 1 . 1 19 19 HIS H H 1 7.996 . . . . . . . A 19 HIS H . 34411 1
81 . 1 . 1 19 19 HIS HA H 1 4.506 . . . . . . . A 19 HIS HA . 34411 1
82 . 1 . 1 19 19 HIS HB2 H 1 3.420 . . . . . . . A 19 HIS HB2 . 34411 1
83 . 1 . 1 19 19 HIS HB3 H 1 3.165 . . . . . . . A 19 HIS HB3 . 34411 1
84 . 1 . 1 20 20 LEU H H 1 7.961 . . . . . . . A 20 LEU H . 34411 1
85 . 1 . 1 20 20 LEU HA H 1 4.289 . . . . . . . A 20 LEU HA . 34411 1
86 . 1 . 1 20 20 LEU HB2 H 1 1.804 . . . . . . . A 20 LEU HB2 . 34411 1
87 . 1 . 1 20 20 LEU HB3 H 1 1.614 . . . . . . . A 20 LEU HB3 . 34411 1
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