Content for NMR-STAR saveframe, "chem_shift_list_1"
save_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 7168
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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 1 $sample_1 isotropic 7168 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 TYR HD1 H 1 6.86 0.02 . 1 . . . . 1 TYR HD1 . 7168 1
2 . 1 1 1 1 TYR HD2 H 1 6.86 0.02 . 1 . . . . 1 TYR HD2 . 7168 1
3 . 1 1 1 1 TYR HE1 H 1 7.17 0.02 . 1 . . . . 1 TYR HE1 . 7168 1
4 . 1 1 1 1 TYR HE2 H 1 7.17 0.02 . 1 . . . . 1 TYR HE2 . 7168 1
5 . 1 1 2 2 GLY H H 1 8.76 0.02 . 1 . . . . 2 GLY H . 7168 1
6 . 1 1 2 2 GLY HA2 H 1 3.94 0.02 . 2 . . . . 2 GLY HA2 . 7168 1
7 . 1 1 3 3 GLY H H 1 8.22 0.02 . 1 . . . . 3 GLY H . 7168 1
8 . 1 1 3 3 GLY HA2 H 1 3.90 0.02 . 2 . . . . 3 GLY HA2 . 7168 1
9 . 1 1 3 3 GLY HA3 H 1 4.01 0.02 . 2 . . . . 3 GLY HA3 . 7168 1
10 . 1 1 4 4 PHE H H 1 8.38 0.02 . 1 . . . . 4 PHE H . 7168 1
11 . 1 1 4 4 PHE HA H 1 4.46 0.02 . 1 . . . . 4 PHE HA . 7168 1
12 . 1 1 4 4 PHE HB2 H 1 3.22 0.02 . 1 . . . . 4 PHE HB2 . 7168 1
13 . 1 1 4 4 PHE HB3 H 1 3.12 0.02 . 1 . . . . 4 PHE HB3 . 7168 1
14 . 1 1 4 4 PHE HD1 H 1 7.45 0.02 . 1 . . . . 4 PHE HD1 . 7168 1
15 . 1 1 4 4 PHE HD2 H 1 7.45 0.02 . 1 . . . . 4 PHE HD2 . 7168 1
16 . 1 1 4 4 PHE HE1 H 1 7.61 0.02 . 1 . . . . 4 PHE HE1 . 7168 1
17 . 1 1 4 4 PHE HE2 H 1 7.61 0.02 . 1 . . . . 4 PHE HE2 . 7168 1
18 . 1 1 5 5 LEU H H 1 8.14 0.02 . 1 . . . . 5 LEU H . 7168 1
19 . 1 1 5 5 LEU HA H 1 4.05 0.02 . 1 . . . . 5 LEU HA . 7168 1
20 . 1 1 5 5 LEU HB2 H 1 1.71 0.02 . 2 . . . . 5 LEU HB2 . 7168 1
21 . 1 1 5 5 LEU HG H 1 1.52 0.02 . 2 . . . . 5 LEU HG . 7168 1
22 . 1 1 5 5 LEU HD11 H 1 0.91 0.02 . 2 . . . . 5 LEU HD1 . 7168 1
23 . 1 1 5 5 LEU HD12 H 1 0.91 0.02 . 2 . . . . 5 LEU HD1 . 7168 1
24 . 1 1 5 5 LEU HD13 H 1 0.91 0.02 . 2 . . . . 5 LEU HD1 . 7168 1
25 . 1 1 5 5 LEU HD21 H 1 0.85 0.02 . 2 . . . . 5 LEU HD2 . 7168 1
26 . 1 1 5 5 LEU HD22 H 1 0.85 0.02 . 2 . . . . 5 LEU HD2 . 7168 1
27 . 1 1 5 5 LEU HD23 H 1 0.85 0.02 . 2 . . . . 5 LEU HD2 . 7168 1
28 . 1 1 6 6 ARG H H 1 7.87 0.02 . 1 . . . . 6 ARG H . 7168 1
29 . 1 1 6 6 ARG HA H 1 4.34 0.02 . 1 . . . . 6 ARG HA . 7168 1
30 . 1 1 6 6 ARG HB2 H 1 1.90 0.02 . 1 . . . . 6 ARG HB2 . 7168 1
31 . 1 1 6 6 ARG HB3 H 1 1.82 0.02 . 1 . . . . 6 ARG HB3 . 7168 1
32 . 1 1 6 6 ARG HD3 H 1 3.20 0.02 . 2 . . . . 6 ARG HD3 . 7168 1
33 . 1 1 7 7 ARG H H 1 7.86 0.02 . 1 . . . . 7 ARG H . 7168 1
34 . 1 1 7 7 ARG HA H 1 4.26 0.02 . 1 . . . . 7 ARG HA . 7168 1
35 . 1 1 7 7 ARG HB2 H 1 1.82 0.02 . 2 . . . . 7 ARG HB2 . 7168 1
36 . 1 1 7 7 ARG HD3 H 1 3.20 0.02 . 2 . . . . 7 ARG HD3 . 7168 1
37 . 1 1 8 8 ILE H H 1 7.65 0.02 . 1 . . . . 8 ILE H . 7168 1
38 . 1 1 8 8 ILE HA H 1 4.18 0.02 . 1 . . . . 8 ILE HA . 7168 1
39 . 1 1 8 8 ILE HB H 1 1.88 0.02 . 1 . . . . 8 ILE HB . 7168 1
40 . 1 1 8 8 ILE HG12 H 1 1.49 0.02 . 1 . . . . 8 ILE HG12 . 7168 1
41 . 1 1 8 8 ILE HG13 H 1 1.21 0.02 . 1 . . . . 8 ILE HG13 . 7168 1
42 . 1 1 8 8 ILE HG21 H 1 0.86 0.02 . 1 . . . . 8 ILE HG2 . 7168 1
43 . 1 1 8 8 ILE HG22 H 1 0.86 0.02 . 1 . . . . 8 ILE HG2 . 7168 1
44 . 1 1 8 8 ILE HG23 H 1 0.86 0.02 . 1 . . . . 8 ILE HG2 . 7168 1
45 . 1 1 9 9 ARG H H 1 7.95 0.02 . 1 . . . . 9 ARG H . 7168 1
46 . 1 1 9 9 ARG HA H 1 4.49 0.02 . 1 . . . . 9 ARG HA . 7168 1
47 . 1 1 9 9 ARG HB2 H 1 1.90 0.02 . 1 . . . . 9 ARG HB2 . 7168 1
48 . 1 1 9 9 ARG HB3 H 1 1.81 0.02 . 1 . . . . 9 ARG HB3 . 7168 1
49 . 1 1 9 9 ARG HG2 H 1 1.69 0.02 . 2 . . . . 9 ARG HG2 . 7168 1
50 . 1 1 9 9 ARG HD2 H 1 3.20 0.02 . 2 . . . . 9 ARG HD2 . 7168 1
51 . 1 1 11 11 LYS H H 1 7.94 0.02 . 1 . . . . 11 LYS H . 7168 1
52 . 1 1 11 11 LYS HA H 1 4.30 0.02 . 1 . . . . 11 LYS HA . 7168 1
53 . 1 1 11 11 LYS HB2 H 1 1.80 0.02 . 1 . . . . 11 LYS HB2 . 7168 1
54 . 1 1 11 11 LYS HB3 H 1 1.69 0.02 . 4 . . . . 11 LYS HB3 . 7168 1
55 . 1 1 11 11 LYS HG2 H 1 1.37 0.02 . 2 . . . . 11 LYS HG2 . 7168 1
56 . 1 1 11 11 LYS HD2 H 1 1.65 0.02 . 4 . . . . 11 LYS HD2 . 7168 1
57 . 1 1 11 11 LYS HE2 H 1 3.21 0.02 . 2 . . . . 11 LYS HE2 . 7168 1
58 . 1 1 11 11 LYS HZ1 H 1 7.30 0.02 . 1 . . . . 11 LYS HZ . 7168 1
59 . 1 1 11 11 LYS HZ2 H 1 7.30 0.02 . 1 . . . . 11 LYS HZ . 7168 1
60 . 1 1 11 11 LYS HZ3 H 1 7.30 0.02 . 1 . . . . 11 LYS HZ . 7168 1
61 . 1 1 12 12 LEU H H 1 8.12 0.02 . 1 . . . . 12 LEU H . 7168 1
62 . 1 1 12 12 LEU HA H 1 4.29 0.02 . 1 . . . . 12 LEU HA . 7168 1
63 . 1 1 12 12 LEU HB2 H 1 1.78 0.02 . 2 . . . . 12 LEU HB2 . 7168 1
64 . 1 1 12 12 LEU HB3 H 1 1.68 0.02 . 2 . . . . 12 LEU HB3 . 7168 1
65 . 1 1 12 12 LEU HG H 1 1.40 0.02 . 4 . . . . 12 LEU HG . 7168 1
66 . 1 1 12 12 LEU HD11 H 1 0.86 0.02 . 2 . . . . 12 LEU HD1 . 7168 1
67 . 1 1 12 12 LEU HD12 H 1 0.86 0.02 . 2 . . . . 12 LEU HD1 . 7168 1
68 . 1 1 12 12 LEU HD13 H 1 0.86 0.02 . 2 . . . . 12 LEU HD1 . 7168 1
69 . 1 1 12 12 LEU HD21 H 1 0.82 0.02 . 2 . . . . 12 LEU HD2 . 7168 1
70 . 1 1 12 12 LEU HD22 H 1 0.82 0.02 . 2 . . . . 12 LEU HD2 . 7168 1
71 . 1 1 12 12 LEU HD23 H 1 0.82 0.02 . 2 . . . . 12 LEU HD2 . 7168 1
72 . 1 1 13 13 LYS H H 1 7.86 0.02 . 1 . . . . 13 LYS H . 7168 1
73 . 1 1 13 13 LYS HA H 1 4.15 0.02 . 1 . . . . 13 LYS HA . 7168 1
74 . 1 1 13 13 LYS HB2 H 1 1.86 0.02 . 1 . . . . 13 LYS HB2 . 7168 1
75 . 1 1 13 13 LYS HB3 H 1 1.78 0.02 . 1 . . . . 13 LYS HB3 . 7168 1
76 . 1 1 13 13 LYS HG2 H 1 1.33 0.02 . 2 . . . . 13 LYS HG2 . 7168 1
77 . 1 1 13 13 LYS HG3 H 1 1.45 0.02 . 2 . . . . 13 LYS HG3 . 7168 1
78 . 1 1 13 13 LYS HD2 H 1 1.68 0.02 . 2 . . . . 13 LYS HD2 . 7168 1
79 . 1 1 13 13 LYS HE2 H 1 3.21 0.02 . 2 . . . . 13 LYS HE2 . 7168 1
80 . 1 1 13 13 LYS HZ1 H 1 7.39 0.02 . 1 . . . . 13 LYS HZ . 7168 1
81 . 1 1 13 13 LYS HZ2 H 1 7.39 0.02 . 1 . . . . 13 LYS HZ . 7168 1
82 . 1 1 13 13 LYS HZ3 H 1 7.39 0.02 . 1 . . . . 13 LYS HZ . 7168 1
83 . 1 1 14 14 TRP H H 1 8.09 0.02 . 1 . . . . 14 TRP H . 7168 1
84 . 1 1 14 14 TRP HA H 1 4.37 0.02 . 1 . . . . 14 TRP HA . 7168 1
85 . 1 1 14 14 TRP HB2 H 1 3.33 0.02 . 1 . . . . 14 TRP HB2 . 7168 1
86 . 1 1 14 14 TRP HB3 H 1 3.18 0.02 . 1 . . . . 14 TRP HB3 . 7168 1
87 . 1 1 14 14 TRP HD1 H 1 7.23 0.02 . 4 . . . . 14 TRP HD1 . 7168 1
88 . 1 1 14 14 TRP HE1 H 1 10.26 0.02 . 1 . . . . 14 TRP HE1 . 7168 1
89 . 1 1 14 14 TRP HZ2 H 1 7.35 0.02 . 4 . . . . 14 TRP HZ2 . 7168 1
90 . 1 1 14 14 TRP HZ3 H 1 7.10 0.02 . 4 . . . . 14 TRP HZ3 . 7168 1
91 . 1 1 14 14 TRP HH2 H 1 7.29 0.02 . 4 . . . . 14 TRP HH2 . 7168 1
92 . 1 1 15 15 ASP H H 1 8.15 0.02 . 1 . . . . 15 ASP H . 7168 1
93 . 1 1 15 15 ASP HA H 1 4.62 0.02 . 1 . . . . 15 ASP HA . 7168 1
94 . 1 1 15 15 ASP HB2 H 1 2.66 0.02 . 1 . . . . 15 ASP HB2 . 7168 1
95 . 1 1 15 15 ASP HB3 H 1 2.77 0.02 . 1 . . . . 15 ASP HB3 . 7168 1
96 . 1 1 16 16 ASN H H 1 8.28 0.02 . 1 . . . . 16 ASN H . 7168 1
97 . 1 1 16 16 ASN HA H 1 4.70 0.02 . 1 . . . . 16 ASN HA . 7168 1
98 . 1 1 16 16 ASN HB2 H 1 2.83 0.02 . 1 . . . . 16 ASN HB2 . 7168 1
99 . 1 1 16 16 ASN HB3 H 1 2.70 0.02 . 1 . . . . 16 ASN HB3 . 7168 1
100 . 1 1 17 17 GLN H H 1 7.86 0.02 . 1 . . . . 17 GLN H . 7168 1
101 . 1 1 17 17 GLN HA H 1 4.15 0.02 . 1 . . . . 17 GLN HA . 7168 1
102 . 1 1 17 17 GLN HB2 H 1 2.11 0.02 . 1 . . . . 17 GLN HB2 . 7168 1
103 . 1 1 17 17 GLN HB3 H 1 1.94 0.02 . 1 . . . . 17 GLN HB3 . 7168 1
104 . 1 1 17 17 GLN HG2 H 1 2.29 0.02 . 2 . . . . 17 GLN HG2 . 7168 1
stop_
save_