Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 6463
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 COSY' 1 $sample_1 . 6463 1
2 '2D NOESY' 1 $sample_1 . 6463 1
3 '2D TOCSY' 1 $sample_1 . 6463 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 1 1 CYS HA H 1 4.356 0.005 . 1 . . . . . . . . . 6463 1
2 . 1 1 1 1 CYS HB2 H 1 3.238 0.010 . 1 . . . . . . . . . 6463 1
3 . 1 1 1 1 CYS HB3 H 1 3.055 0.010 . 1 . . . . . . . . . 6463 1
4 . 1 1 2 2 ARG H H 1 8.697 0.005 . 1 . . . . . . . . . 6463 1
5 . 1 1 2 2 ARG HA H 1 4.419 0.005 . 1 . . . . . . . . . 6463 1
6 . 1 1 2 2 ARG HB2 H 1 1.131 0.010 . 2 . . . . . . . . . 6463 1
7 . 1 1 2 2 ARG HG2 H 1 1.645 0.010 . 2 . . . . . . . . . 6463 1
8 . 1 1 2 2 ARG HD2 H 1 3.151 0.010 . 1 . . . . . . . . . 6463 1
9 . 1 1 2 2 ARG HD3 H 1 3.233 0.010 . 1 . . . . . . . . . 6463 1
10 . 1 1 2 2 ARG HE H 1 7.109 0.020 . 1 . . . . . . . . . 6463 1
11 . 1 1 3 3 ARG H H 1 8.269 0.005 . 1 . . . . . . . . . 6463 1
12 . 1 1 3 3 ARG HA H 1 3.955 0.005 . 1 . . . . . . . . . 6463 1
13 . 1 1 3 3 ARG HB2 H 1 1.792 0.010 . 1 . . . . . . . . . 6463 1
14 . 1 1 3 3 ARG HB3 H 1 1.745 0.010 . 1 . . . . . . . . . 6463 1
15 . 1 1 3 3 ARG HG2 H 1 1.513 0.010 . 2 . . . . . . . . . 6463 1
16 . 1 1 3 3 ARG HD2 H 1 3.097 0.010 . 2 . . . . . . . . . 6463 1
17 . 1 1 3 3 ARG HE H 1 6.982 0.020 . 1 . . . . . . . . . 6463 1
18 . 1 1 4 4 TRP H H 1 7.089 0.005 . 1 . . . . . . . . . 6463 1
19 . 1 1 4 4 TRP HA H 1 4.62 0.005 . 1 . . . . . . . . . 6463 1
20 . 1 1 4 4 TRP HB2 H 1 3.35 0.010 . 1 . . . . . . . . . 6463 1
21 . 1 1 4 4 TRP HB3 H 1 3.053 0.010 . 1 . . . . . . . . . 6463 1
22 . 1 1 4 4 TRP HD1 H 1 7.171 0.010 . 1 . . . . . . . . . 6463 1
23 . 1 1 4 4 TRP HE1 H 1 9.886 0.010 . 1 . . . . . . . . . 6463 1
24 . 1 1 4 4 TRP HE3 H 1 7.469 0.020 . 1 . . . . . . . . . 6463 1
25 . 1 1 4 4 TRP HZ2 H 1 7.373 0.020 . 1 . . . . . . . . . 6463 1
26 . 1 1 4 4 TRP HZ3 H 1 7.034 0.020 . 1 . . . . . . . . . 6463 1
27 . 1 1 4 4 TRP HH2 H 1 7.065 0.020 . 1 . . . . . . . . . 6463 1
28 . 1 1 5 5 GLN H H 1 7.358 0.005 . 1 . . . . . . . . . 6463 1
29 . 1 1 5 5 GLN HA H 1 4.22 0.005 . 1 . . . . . . . . . 6463 1
30 . 1 1 5 5 GLN HB2 H 1 1.819 0.010 . 2 . . . . . . . . . 6463 1
31 . 1 1 5 5 GLN HG2 H 1 1.951 0.010 . 2 . . . . . . . . . 6463 1
32 . 1 1 5 5 GLN HE21 H 1 7.099 0.010 . 1 . . . . . . . . . 6463 1
33 . 1 1 5 5 GLN HE22 H 1 6.689 0.010 . 1 . . . . . . . . . 6463 1
34 . 1 1 6 6 TRP H H 1 7.784 0.005 . 1 . . . . . . . . . 6463 1
35 . 1 1 6 6 TRP HA H 1 4.453 0.005 . 1 . . . . . . . . . 6463 1
36 . 1 1 6 6 TRP HB2 H 1 3.304 0.010 . 2 . . . . . . . . . 6463 1
37 . 1 1 6 6 TRP HD1 H 1 7.326 0.010 . 1 . . . . . . . . . 6463 1
38 . 1 1 6 6 TRP HE1 H 1 9.854 0.010 . 1 . . . . . . . . . 6463 1
39 . 1 1 6 6 TRP HE3 H 1 7.577 0.020 . 1 . . . . . . . . . 6463 1
40 . 1 1 6 6 TRP HZ2 H 1 7.425 0.020 . 1 . . . . . . . . . 6463 1
41 . 1 1 6 6 TRP HZ3 H 1 7.055 0.020 . 1 . . . . . . . . . 6463 1
42 . 1 1 6 6 TRP HH2 H 1 7.107 0.020 . 1 . . . . . . . . . 6463 1
43 . 1 1 7 7 ARG H H 1 7.681 0.005 . 1 . . . . . . . . . 6463 1
44 . 1 1 7 7 ARG HA H 1 3.993 0.005 . 1 . . . . . . . . . 6463 1
45 . 1 1 7 7 ARG HB2 H 1 1.588 0.010 . 1 . . . . . . . . . 6463 1
46 . 1 1 7 7 ARG HB3 H 1 1.76 0.010 . 1 . . . . . . . . . 6463 1
47 . 1 1 7 7 ARG HG2 H 1 1.178 0.010 . 1 . . . . . . . . . 6463 1
48 . 1 1 7 7 ARG HG3 H 1 1.1 0.010 . 1 . . . . . . . . . 6463 1
49 . 1 1 7 7 ARG HD2 H 1 3.007 0.010 . 2 . . . . . . . . . 6463 1
50 . 1 1 7 7 ARG HE H 1 7.05 0.020 . 1 . . . . . . . . . 6463 1
51 . 1 1 8 8 MET H H 1 7.64 0.005 . 1 . . . . . . . . . 6463 1
52 . 1 1 8 8 MET HA H 1 4.39 0.005 . 1 . . . . . . . . . 6463 1
53 . 1 1 8 8 MET HB2 H 1 2.032 0.010 . 1 . . . . . . . . . 6463 1
54 . 1 1 8 8 MET HB3 H 1 2.115 0.010 . 1 . . . . . . . . . 6463 1
55 . 1 1 8 8 MET HG2 H 1 2.53 0.010 . 1 . . . . . . . . . 6463 1
56 . 1 1 8 8 MET HG3 H 1 2.615 0.010 . 1 . . . . . . . . . 6463 1
57 . 1 1 8 8 MET HE1 H 1 2.08 0.010 . 1 . . . . . . . . . 6463 1
58 . 1 1 8 8 MET HE2 H 1 2.08 0.010 . 1 . . . . . . . . . 6463 1
59 . 1 1 8 8 MET HE3 H 1 2.08 0.010 . 1 . . . . . . . . . 6463 1
60 . 1 1 9 9 LYS H H 1 8.166 0.005 . 1 . . . . . . . . . 6463 1
61 . 1 1 9 9 LYS HA H 1 4.115 0.005 . 1 . . . . . . . . . 6463 1
62 . 1 1 9 9 LYS HB2 H 1 1.865 0.010 . 2 . . . . . . . . . 6463 1
63 . 1 1 9 9 LYS HG2 H 1 1.483 0.010 . 1 . . . . . . . . . 6463 1
64 . 1 1 9 9 LYS HG3 H 1 1.423 0.010 . 1 . . . . . . . . . 6463 1
65 . 1 1 9 9 LYS HD2 H 1 1.667 0.010 . 2 . . . . . . . . . 6463 1
66 . 1 1 9 9 LYS HE2 H 1 2.991 0.010 . 2 . . . . . . . . . 6463 1
67 . 1 1 9 9 LYS HZ1 H 1 7.46 0.020 . 1 . . . . . . . . . 6463 1
68 . 1 1 9 9 LYS HZ2 H 1 7.46 0.020 . 1 . . . . . . . . . 6463 1
69 . 1 1 9 9 LYS HZ3 H 1 7.46 0.020 . 1 . . . . . . . . . 6463 1
70 . 1 1 10 10 LYS H H 1 8.003 0.005 . 1 . . . . . . . . . 6463 1
71 . 1 1 10 10 LYS HA H 1 4.197 0.005 . 1 . . . . . . . . . 6463 1
72 . 1 1 10 10 LYS HB2 H 1 1.802 0.010 . 1 . . . . . . . . . 6463 1
73 . 1 1 10 10 LYS HB3 H 1 1.85 0.010 . 1 . . . . . . . . . 6463 1
74 . 1 1 10 10 LYS HG2 H 1 1.421 0.010 . 1 . . . . . . . . . 6463 1
75 . 1 1 10 10 LYS HG3 H 1 1.472 0.010 . 1 . . . . . . . . . 6463 1
76 . 1 1 10 10 LYS HD3 H 1 1.672 0.010 . 2 . . . . . . . . . 6463 1
77 . 1 1 10 10 LYS HE2 H 1 2.991 0.010 . 2 . . . . . . . . . 6463 1
78 . 1 1 10 10 LYS HZ1 H 1 7.431 0.020 . 1 . . . . . . . . . 6463 1
79 . 1 1 10 10 LYS HZ2 H 1 7.431 0.020 . 1 . . . . . . . . . 6463 1
80 . 1 1 10 10 LYS HZ3 H 1 7.431 0.020 . 1 . . . . . . . . . 6463 1
81 . 1 1 11 11 LEU H H 1 7.619 0.005 . 1 . . . . . . . . . 6463 1
82 . 1 1 11 11 LEU HA H 1 4.365 0.005 . 1 . . . . . . . . . 6463 1
83 . 1 1 11 11 LEU HB2 H 1 1.745 0.010 . 2 . . . . . . . . . 6463 1
84 . 1 1 11 11 LEU HG H 1 1.655 0.010 . 1 . . . . . . . . . 6463 1
85 . 1 1 11 11 LEU HD11 H 1 0.925 0.005 . 1 . . . . . . . . . 6463 1
86 . 1 1 11 11 LEU HD12 H 1 0.925 0.005 . 1 . . . . . . . . . 6463 1
87 . 1 1 11 11 LEU HD13 H 1 0.925 0.005 . 1 . . . . . . . . . 6463 1
88 . 1 1 11 11 LEU HD21 H 1 0.884 0.005 . 1 . . . . . . . . . 6463 1
89 . 1 1 11 11 LEU HD22 H 1 0.884 0.005 . 1 . . . . . . . . . 6463 1
90 . 1 1 11 11 LEU HD23 H 1 0.884 0.005 . 1 . . . . . . . . . 6463 1
91 . 1 1 12 12 GLY H H 1 7.982 0.005 . 1 . . . . . . . . . 6463 1
92 . 1 1 12 12 GLY HA2 H 1 4.036 0.010 . 1 . . . . . . . . . 6463 1
93 . 1 1 12 12 GLY HA3 H 1 3.863 0.010 . 1 . . . . . . . . . 6463 1
94 . 1 1 13 13 CYS H H 1 8.122 0.005 . 1 . . . . . . . . . 6463 1
95 . 1 1 13 13 CYS HA H 1 4.553 0.005 . 1 . . . . . . . . . 6463 1
96 . 1 1 13 13 CYS HB2 H 1 3.166 0.010 . 1 . . . . . . . . . 6463 1
97 . 1 1 13 13 CYS HB3 H 1 2.976 0.010 . 1 . . . . . . . . . 6463 1
98 . 1 1 14 14 NH2 HN1 H 1 7.595 0.010 . 1 . . . . . . . . . 6463 1
99 . 1 1 14 14 NH2 HN2 H 1 7.097 0.010 . 1 . . . . . . . . . 6463 1
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save_