Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 16660
_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 $TMS_used_as_reference
_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' . . . 16660 1
3 '2D DQF-COSY' . . . 16660 1
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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
1 $SPARKY . . 16660 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_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 ARG HA H 1 4.068 . . 1 . . . . 1 ARG HA . 16660 1
2 . 1 1 1 1 ARG HB2 H 1 1.824 . . . . . . . 1 ARG HB2 . 16660 1
3 . 1 1 1 1 ARG HB3 H 1 1.824 . . . . . . . 1 ARG HB3 . 16660 1
4 . 1 1 1 1 ARG HD2 H 1 3.222 . . . . . . . 1 ARG HD2 . 16660 1
5 . 1 1 1 1 ARG HD3 H 1 3.222 . . . . . . . 1 ARG HD3 . 16660 1
6 . 1 1 1 1 ARG HG2 H 1 1.305 . . . . . . . 1 ARG HG2 . 16660 1
7 . 1 1 1 1 ARG HG3 H 1 1.305 . . . . . . . 1 ARG HG3 . 16660 1
8 . 1 1 2 2 PRO HA H 1 4.441 . . 1 . . . . 2 PRO HA . 16660 1
9 . 1 1 2 2 PRO HB2 H 1 1.865 . . . . . . . 2 PRO HB2 . 16660 1
10 . 1 1 2 2 PRO HB3 H 1 1.998 . . . . . . . 2 PRO HB3 . 16660 1
11 . 1 1 2 2 PRO HD2 H 1 3.592 . . . . . . . 2 PRO HD2 . 16660 1
12 . 1 1 2 2 PRO HD3 H 1 3.749 . . . . . . . 2 PRO HD3 . 16660 1
13 . 1 1 2 2 PRO HG2 H 1 1.839 . . . . . . . 2 PRO HG2 . 16660 1
14 . 1 1 2 2 PRO HG3 H 1 1.862 . . . . . . . 2 PRO HG3 . 16660 1
15 . 1 1 3 3 LYS H H 1 8.478 . . 1 . . . . 3 LYS H . 16660 1
16 . 1 1 3 3 LYS HA H 1 4.452 . . 1 . . . . 3 LYS HA . 16660 1
17 . 1 1 3 3 LYS HB2 H 1 1.816 . . . . . . . 3 LYS HB2 . 16660 1
18 . 1 1 3 3 LYS HB3 H 1 1.816 . . . . . . . 3 LYS HB3 . 16660 1
19 . 1 1 3 3 LYS HD2 H 1 1.680 . . . . . . . 3 LYS HD2 . 16660 1
20 . 1 1 3 3 LYS HD3 H 1 1.680 . . . . . . . 3 LYS HD3 . 16660 1
21 . 1 1 3 3 LYS HE2 H 1 2.982 . . . . . . . 3 LYS HE2 . 16660 1
22 . 1 1 3 3 LYS HE3 H 1 2.982 . . . . . . . 3 LYS HE3 . 16660 1
23 . 1 1 3 3 LYS HG2 H 1 1.498 . . . . . . . 3 LYS HG2 . 16660 1
24 . 1 1 3 3 LYS HG3 H 1 1.498 . . . . . . . 3 LYS HG3 . 16660 1
25 . 1 1 4 4 PRO HA H 1 4.37 . . 1 . . . . 4 PRO HA . 16660 1
26 . 1 1 4 4 PRO HB2 H 1 1.993 . . . . . . . 4 PRO HB2 . 16660 1
27 . 1 1 4 4 PRO HB3 H 1 2.011 . . . . . . . 4 PRO HB3 . 16660 1
28 . 1 1 4 4 PRO HD2 H 1 3.632 . . . . . . . 4 PRO HD2 . 16660 1
29 . 1 1 4 4 PRO HD3 H 1 3.837 . . . . . . . 4 PRO HD3 . 16660 1
30 . 1 1 4 4 PRO HG2 H 1 1.868 . . . . . . . 4 PRO HG2 . 16660 1
31 . 1 1 4 4 PRO HG3 H 1 2.313 . . . . . . . 4 PRO HG3 . 16660 1
32 . 1 1 5 5 GLN H H 1 8.446 . . 1 . . . . 5 GLN H . 16660 1
33 . 1 1 5 5 GLN HA H 1 4.193 . . 1 . . . . 5 GLN HA . 16660 1
34 . 1 1 5 5 GLN HB2 H 1 1.939 . . . . . . . 5 GLN HB2 . 16660 1
35 . 1 1 5 5 GLN HB3 H 1 1.939 . . . . . . . 5 GLN HB3 . 16660 1
36 . 1 1 5 5 GLN HE21 H 1 6.87 . . . . . . . 5 GLN HE21 . 16660 1
37 . 1 1 5 5 GLN HE22 H 1 7.516 . . . . . . . 5 GLN HE22 . 16660 1
38 . 1 1 5 5 GLN HG2 H 1 2.262 . . . . . . . 5 GLN HG2 . 16660 1
39 . 1 1 5 5 GLN HG3 H 1 2.262 . . . . . . . 5 GLN HG3 . 16660 1
40 . 1 1 6 6 GLN H H 1 8.244 . . 1 . . . . 6 GLN H . 16660 1
41 . 1 1 6 6 GLN HA H 1 4.217 . . 1 . . . . 6 GLN HA . 16660 1
42 . 1 1 6 6 GLN HB2 H 1 1.810 . . . . . . . 6 GLN HB2 . 16660 1
43 . 1 1 6 6 GLN HB3 H 1 1.810 . . . . . . . 6 GLN HB3 . 16660 1
44 . 1 1 6 6 GLN HE21 H 1 6.857 . . . . . . . 6 GLN HE21 . 16660 1
45 . 1 1 6 6 GLN HE22 H 1 7.422 . . . . . . . 6 GLN HE22 . 16660 1
46 . 1 1 6 6 GLN HG2 H 1 2.128 . . . . . . . 6 GLN HG2 . 16660 1
47 . 1 1 6 6 GLN HG3 H 1 2.128 . . . . . . . 6 GLN HG3 . 16660 1
48 . 1 1 7 7 PHE H H 1 8.204 . . 1 . . . . 7 PHE H . 16660 1
49 . 1 1 7 7 PHE HA H 1 4.571 . . 1 . . . . 7 PHE HA . 16660 1
50 . 1 1 7 7 PHE HB2 H 1 2.892 . . . . . . . 7 PHE HB2 . 16660 1
51 . 1 1 7 7 PHE HB3 H 1 3.045 . . . . . . . 7 PHE HB3 . 16660 1
52 . 1 1 7 7 PHE HD1 H 1 7.189 . . . . . . . 7 PHE HD1 . 16660 1
53 . 1 1 7 7 PHE HD2 H 1 7.189 . . . . . . . 7 PHE HD2 . 16660 1
54 . 1 1 7 7 PHE HE1 H 1 7.295 . . . . . . . 7 PHE HE1 . 16660 1
55 . 1 1 7 7 PHE HE2 H 1 7.295 . . . . . . . 7 PHE HE2 . 16660 1
56 . 1 1 7 7 PHE HZ H 1 7.255 . . 1 . . . . 7 PHE HZ . 16660 1
57 . 1 1 8 8 PHE H H 1 8.198 . . 1 . . . . 8 PHE H . 16660 1
58 . 1 1 8 8 PHE HA H 1 4.588 . . 1 . . . . 8 PHE HA . 16660 1
59 . 1 1 8 8 PHE HB2 H 1 2.920 . . . . . . . 8 PHE HB2 . 16660 1
60 . 1 1 8 8 PHE HB3 H 1 3.154 . . . . . . . 8 PHE HB3 . 16660 1
61 . 1 1 8 8 PHE HD1 H 1 7.246 . . . . . . . 8 PHE HD1 . 16660 1
62 . 1 1 8 8 PHE HD2 H 1 7.246 . . . . . . . 8 PHE HD2 . 16660 1
63 . 1 1 8 8 PHE HE1 H 1 7.336 . . . . . . . 8 PHE HE1 . 16660 1
64 . 1 1 8 8 PHE HE2 H 1 7.336 . . . . . . . 8 PHE HE2 . 16660 1
65 . 1 1 8 8 PHE HZ H 1 7.31 . . 1 . . . . 8 PHE HZ . 16660 1
66 . 1 1 9 9 GLY H H 1 7.862 . . 1 . . . . 9 GLY H . 16660 1
67 . 1 1 9 9 GLY HA2 H 1 3.852 . . . . . . . 9 GLY HA2 . 16660 1
68 . 1 1 9 9 GLY HA3 H 1 3.852 . . . . . . . 9 GLY HA3 . 16660 1
69 . 1 1 10 10 LEU H H 1 8.120 . . 1 . . . . 10 LEU H . 16660 1
70 . 1 1 10 10 LEU HA H 1 4.315 . . 1 . . . . 10 LEU HA . 16660 1
71 . 1 1 10 10 LEU HB2 H 1 1.613 . . . . . . . 10 LEU HB2 . 16660 1
72 . 1 1 10 10 LEU HB3 H 1 1.613 . . . . . . . 10 LEU HB3 . 16660 1
73 . 1 1 10 10 LEU HD11 H 1 0.935 . . . . . . . 10 LEU MD1 . 16660 1
74 . 1 1 10 10 LEU HD12 H 1 0.935 . . . . . . . 10 LEU MD1 . 16660 1
75 . 1 1 10 10 LEU HD13 H 1 0.935 . . . . . . . 10 LEU MD1 . 16660 1
76 . 1 1 10 10 LEU HD21 H 1 0.887 . . . . . . . 10 LEU MD2 . 16660 1
77 . 1 1 10 10 LEU HD22 H 1 0.887 . . . . . . . 10 LEU MD2 . 16660 1
78 . 1 1 10 10 LEU HD23 H 1 0.887 . . . . . . . 10 LEU MD2 . 16660 1
79 . 1 1 10 10 LEU HG H 1 1.613 . . 1 . . . . 10 LEU HG . 16660 1
80 . 1 1 11 11 MET H H 1 8.329 . . 1 . . . . 11 MET H . 16660 1
81 . 1 1 11 11 MET HA H 1 4.445 . . 1 . . . . 11 MET HA . 16660 1
82 . 1 1 11 11 MET HB2 H 1 2.005 . . . . . . . 11 MET HB2 . 16660 1
83 . 1 1 11 11 MET HB3 H 1 2.070 . . . . . . . 11 MET HB3 . 16660 1
84 . 1 1 11 11 MET HE1 H 1 7.096 . . 1 . . . . 11 MET ME . 16660 1
85 . 1 1 11 11 MET HE2 H 1 7.096 . . 1 . . . . 11 MET ME . 16660 1
86 . 1 1 11 11 MET HE3 H 1 7.096 . . 1 . . . . 11 MET ME . 16660 1
87 . 1 1 11 11 MET HG2 H 1 2.490 . . . . . . . 11 MET HG2 . 16660 1
88 . 1 1 11 11 MET HG3 H 1 2.605 . . . . . . . 11 MET HG3 . 16660 1
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