Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"
save_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one'
_Assigned_chem_shift_list.Entry_ID 1816
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_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 $sample_one . 1816 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 VAL HA H 1 3.87 . . 1 . . . . . . . . 1816 1
2 . 1 1 1 1 VAL HB H 1 2.21 . . 1 . . . . . . . . 1816 1
3 . 1 1 1 1 VAL HG11 H 1 1 . . 1 . . . . . . . . 1816 1
4 . 1 1 1 1 VAL HG12 H 1 1 . . 1 . . . . . . . . 1816 1
5 . 1 1 1 1 VAL HG13 H 1 1 . . 1 . . . . . . . . 1816 1
6 . 1 1 1 1 VAL HG21 H 1 1 . . 1 . . . . . . . . 1816 1
7 . 1 1 1 1 VAL HG22 H 1 1 . . 1 . . . . . . . . 1816 1
8 . 1 1 1 1 VAL HG23 H 1 1 . . 1 . . . . . . . . 1816 1
9 . 1 1 2 2 THR H H 1 8.8 . . 1 . . . . . . . . 1816 1
10 . 1 1 2 2 THR HA H 1 4.3 . . 1 . . . . . . . . 1816 1
11 . 1 1 2 2 THR HB H 1 4.07 . . 1 . . . . . . . . 1816 1
12 . 1 1 2 2 THR HG21 H 1 1.12 . . 1 . . . . . . . . 1816 1
13 . 1 1 2 2 THR HG22 H 1 1.12 . . 1 . . . . . . . . 1816 1
14 . 1 1 2 2 THR HG23 H 1 1.12 . . 1 . . . . . . . . 1816 1
15 . 1 1 3 3 LEU H H 1 8.65 . . 1 . . . . . . . . 1816 1
16 . 1 1 3 3 LEU HA H 1 4.29 . . 1 . . . . . . . . 1816 1
17 . 1 1 3 3 LEU HB2 H 1 1.54 . . 1 . . . . . . . . 1816 1
18 . 1 1 3 3 LEU HB3 H 1 1.54 . . 1 . . . . . . . . 1816 1
19 . 1 1 3 3 LEU HG H 1 1.44 . . 1 . . . . . . . . 1816 1
20 . 1 1 3 3 LEU HD11 H 1 .82 . . 2 . . . . . . . . 1816 1
21 . 1 1 3 3 LEU HD12 H 1 .82 . . 2 . . . . . . . . 1816 1
22 . 1 1 3 3 LEU HD13 H 1 .82 . . 2 . . . . . . . . 1816 1
23 . 1 1 3 3 LEU HD21 H 1 .89 . . 2 . . . . . . . . 1816 1
24 . 1 1 3 3 LEU HD22 H 1 .89 . . 2 . . . . . . . . 1816 1
25 . 1 1 3 3 LEU HD23 H 1 .89 . . 2 . . . . . . . . 1816 1
26 . 1 1 4 4 TYR H H 1 8.44 . . 1 . . . . . . . . 1816 1
27 . 1 1 4 4 TYR HA H 1 4.44 . . 1 . . . . . . . . 1816 1
28 . 1 1 4 4 TYR HB2 H 1 2.94 . . 1 . . . . . . . . 1816 1
29 . 1 1 4 4 TYR HB3 H 1 2.94 . . 1 . . . . . . . . 1816 1
30 . 1 1 4 4 TYR HD1 H 1 7.06 . . 1 . . . . . . . . 1816 1
31 . 1 1 4 4 TYR HD2 H 1 7.06 . . 1 . . . . . . . . 1816 1
32 . 1 1 4 4 TYR HE1 H 1 6.77 . . 1 . . . . . . . . 1816 1
33 . 1 1 4 4 TYR HE2 H 1 6.77 . . 1 . . . . . . . . 1816 1
34 . 1 1 5 5 GLN H H 1 8.31 . . 1 . . . . . . . . 1816 1
35 . 1 1 5 5 GLN HA H 1 4.09 . . 1 . . . . . . . . 1816 1
36 . 1 1 5 5 GLN HB2 H 1 1.67 . . 1 . . . . . . . . 1816 1
37 . 1 1 5 5 GLN HB3 H 1 1.67 . . 1 . . . . . . . . 1816 1
38 . 1 1 5 5 GLN HG2 H 1 2.12 . . 2 . . . . . . . . 1816 1
39 . 1 1 5 5 GLN HG3 H 1 2.19 . . 2 . . . . . . . . 1816 1
40 . 1 1 5 5 GLN HE21 H 1 6.96 . . 2 . . . . . . . . 1816 1
41 . 1 1 5 5 GLN HE22 H 1 7.57 . . 2 . . . . . . . . 1816 1
42 . 1 1 6 6 SER H H 1 8.4 . . 1 . . . . . . . . 1816 1
43 . 1 1 6 6 SER HA H 1 4.22 . . 1 . . . . . . . . 1816 1
44 . 1 1 6 6 SER HB2 H 1 3.94 . . 2 . . . . . . . . 1816 1
45 . 1 1 6 6 SER HB3 H 1 3.87 . . 2 . . . . . . . . 1816 1
46 . 1 1 7 7 TRP H H 1 8.04 . . 1 . . . . . . . . 1816 1
47 . 1 1 7 7 TRP HA H 1 4.53 . . 1 . . . . . . . . 1816 1
48 . 1 1 7 7 TRP HB2 H 1 3.22 . . 2 . . . . . . . . 1816 1
49 . 1 1 7 7 TRP HB3 H 1 3.33 . . 2 . . . . . . . . 1816 1
50 . 1 1 7 7 TRP HD1 H 1 7.2 . . 1 . . . . . . . . 1816 1
51 . 1 1 7 7 TRP HE1 H 1 10.18 . . 1 . . . . . . . . 1816 1
52 . 1 1 7 7 TRP HE3 H 1 7.49 . . 1 . . . . . . . . 1816 1
53 . 1 1 7 7 TRP HZ2 H 1 7.45 . . 1 . . . . . . . . 1816 1
54 . 1 1 7 7 TRP HZ3 H 1 7.1 . . 1 . . . . . . . . 1816 1
55 . 1 1 7 7 TRP HH2 H 1 7.2 . . 1 . . . . . . . . 1816 1
56 . 1 1 8 8 ARG H H 1 7.75 . . 1 . . . . . . . . 1816 1
57 . 1 1 8 8 ARG HA H 1 3.91 . . 1 . . . . . . . . 1816 1
58 . 1 1 8 8 ARG HB2 H 1 1.3 . . 2 . . . . . . . . 1816 1
59 . 1 1 8 8 ARG HB3 H 1 1.44 . . 2 . . . . . . . . 1816 1
60 . 1 1 8 8 ARG HG2 H 1 1.02 . . 1 . . . . . . . . 1816 1
61 . 1 1 8 8 ARG HG3 H 1 1.02 . . 1 . . . . . . . . 1816 1
62 . 1 1 8 8 ARG HD2 H 1 2.44 . . 1 . . . . . . . . 1816 1
63 . 1 1 8 8 ARG HD3 H 1 2.44 . . 1 . . . . . . . . 1816 1
64 . 1 1 8 8 ARG HE H 1 7.06 . . 1 . . . . . . . . 1816 1
65 . 1 1 9 9 TYR H H 1 7.93 . . 1 . . . . . . . . 1816 1
66 . 1 1 9 9 TYR HA H 1 4.44 . . 1 . . . . . . . . 1816 1
67 . 1 1 9 9 TYR HB2 H 1 2.9 . . 2 . . . . . . . . 1816 1
68 . 1 1 9 9 TYR HB3 H 1 3.07 . . 2 . . . . . . . . 1816 1
69 . 1 1 9 9 TYR HD1 H 1 7.08 . . 1 . . . . . . . . 1816 1
70 . 1 1 9 9 TYR HD2 H 1 7.08 . . 1 . . . . . . . . 1816 1
71 . 1 1 9 9 TYR HE1 H 1 6.76 . . 1 . . . . . . . . 1816 1
72 . 1 1 9 9 TYR HE2 H 1 6.76 . . 1 . . . . . . . . 1816 1
73 . 1 1 10 10 SER H H 1 8.09 . . 1 . . . . . . . . 1816 1
74 . 1 1 10 10 SER HA H 1 4.34 . . 1 . . . . . . . . 1816 1
75 . 1 1 10 10 SER HB2 H 1 3.8 . . 1 . . . . . . . . 1816 1
76 . 1 1 10 10 SER HB3 H 1 3.8 . . 1 . . . . . . . . 1816 1
77 . 1 1 11 11 GLN H H 1 8.4 . . 1 . . . . . . . . 1816 1
78 . 1 1 11 11 GLN HA H 1 4.22 . . 1 . . . . . . . . 1816 1
79 . 1 1 11 11 GLN HB2 H 1 2.11 . . 2 . . . . . . . . 1816 1
80 . 1 1 11 11 GLN HB3 H 1 1.95 . . 2 . . . . . . . . 1816 1
81 . 1 1 11 11 GLN HG2 H 1 2.3 . . 1 . . . . . . . . 1816 1
82 . 1 1 11 11 GLN HG3 H 1 2.3 . . 1 . . . . . . . . 1816 1
83 . 1 1 11 11 GLN HE21 H 1 7.6 . . 2 . . . . . . . . 1816 1
84 . 1 1 11 11 GLN HE22 H 1 6.94 . . 2 . . . . . . . . 1816 1
85 . 1 1 12 12 ALA H H 1 8.34 . . 1 . . . . . . . . 1816 1
86 . 1 1 12 12 ALA HA H 1 4.21 . . 1 . . . . . . . . 1816 1
87 . 1 1 12 12 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 1816 1
88 . 1 1 12 12 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 1816 1
89 . 1 1 12 12 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 1816 1
90 . 1 1 13 13 ASP H H 1 8.46 . . 1 . . . . . . . . 1816 1
91 . 1 1 13 13 ASP HA H 1 4.64 . . 1 . . . . . . . . 1816 1
92 . 1 1 13 13 ASP HB2 H 1 2.82 . . 2 . . . . . . . . 1816 1
93 . 1 1 13 13 ASP HB3 H 1 2.94 . . 2 . . . . . . . . 1816 1
94 . 1 1 14 14 ASN H H 1 8.46 . . 1 . . . . . . . . 1816 1
95 . 1 1 14 14 ASN HA H 1 4.72 . . 1 . . . . . . . . 1816 1
96 . 1 1 14 14 ASN HB2 H 1 2.75 . . 2 . . . . . . . . 1816 1
97 . 1 1 14 14 ASN HB3 H 1 2.84 . . 2 . . . . . . . . 1816 1
98 . 1 1 14 14 ASN HD21 H 1 7.67 . . 2 . . . . . . . . 1816 1
99 . 1 1 14 14 ASN HD22 H 1 7.96 . . 2 . . . . . . . . 1816 1
100 . 1 1 15 15 GLY H H 1 8.24 . . 1 . . . . . . . . 1816 1
101 . 1 1 15 15 GLY HA2 H 1 3.88 . . 1 . . . . . . . . 1816 1
102 . 1 1 15 15 GLY HA3 H 1 3.88 . . 1 . . . . . . . . 1816 1
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