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 1814
_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 . 1814 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 ASP H H 1 8.03 . . 1 . . . . . . . . 1814 1
2 . 1 1 1 1 ASP HA H 1 4.61 . . 1 . . . . . . . . 1814 1
3 . 1 1 1 1 ASP HB2 H 1 2.73 . . 1 . . . . . . . . 1814 1
4 . 1 1 1 1 ASP HB3 H 1 2.73 . . 1 . . . . . . . . 1814 1
5 . 1 1 2 2 PRO HA H 1 4.4 . . 1 . . . . . . . . 1814 1
6 . 1 1 2 2 PRO HB2 H 1 2.07 . . 1 . . . . . . . . 1814 1
7 . 1 1 2 2 PRO HB3 H 1 2.07 . . 1 . . . . . . . . 1814 1
8 . 1 1 3 3 ASN H H 1 8.56 . . 1 . . . . . . . . 1814 1
9 . 1 1 3 3 ASN HA H 1 4.61 . . 1 . . . . . . . . 1814 1
10 . 1 1 3 3 ASN HB2 H 1 2.65 . . 2 . . . . . . . . 1814 1
11 . 1 1 3 3 ASN HB3 H 1 2.49 . . 2 . . . . . . . . 1814 1
12 . 1 1 4 4 GLY H H 1 8.04 . . 1 . . . . . . . . 1814 1
13 . 1 1 4 4 GLY HA2 H 1 3.74 . . 2 . . . . . . . . 1814 1
14 . 1 1 4 4 GLY HA3 H 1 4.5 . . 2 . . . . . . . . 1814 1
15 . 1 1 5 5 LEU H H 1 7.92 . . 1 . . . . . . . . 1814 1
16 . 1 1 5 5 LEU HA H 1 4.36 . . 1 . . . . . . . . 1814 1
17 . 1 1 5 5 LEU HB2 H 1 1.45 . . 1 . . . . . . . . 1814 1
18 . 1 1 5 5 LEU HB3 H 1 1.45 . . 1 . . . . . . . . 1814 1
19 . 1 1 5 5 LEU HG H 1 1.8 . . 1 . . . . . . . . 1814 1
20 . 1 1 5 5 LEU HD11 H 1 .81 . . 2 . . . . . . . . 1814 1
21 . 1 1 5 5 LEU HD12 H 1 .81 . . 2 . . . . . . . . 1814 1
22 . 1 1 5 5 LEU HD13 H 1 .81 . . 2 . . . . . . . . 1814 1
23 . 1 1 5 5 LEU HD21 H 1 1.13 . . 2 . . . . . . . . 1814 1
24 . 1 1 5 5 LEU HD22 H 1 1.13 . . 2 . . . . . . . . 1814 1
25 . 1 1 5 5 LEU HD23 H 1 1.13 . . 2 . . . . . . . . 1814 1
26 . 1 1 6 6 SER H H 1 7.68 . . 1 . . . . . . . . 1814 1
27 . 1 1 6 6 SER HA H 1 4.3 . . 1 . . . . . . . . 1814 1
28 . 1 1 6 6 SER HB2 H 1 3.53 . . 2 . . . . . . . . 1814 1
29 . 1 1 6 6 SER HB3 H 1 3.62 . . 2 . . . . . . . . 1814 1
30 . 1 1 7 7 PHE H H 1 8.3 . . 1 . . . . . . . . 1814 1
31 . 1 1 7 7 PHE HA H 1 4.46 . . 1 . . . . . . . . 1814 1
32 . 1 1 7 7 PHE HB2 H 1 2.75 . . 2 . . . . . . . . 1814 1
33 . 1 1 7 7 PHE HB3 H 1 2.99 . . 2 . . . . . . . . 1814 1
34 . 1 1 8 8 ASN H H 1 8.18 . . 1 . . . . . . . . 1814 1
35 . 1 1 8 8 ASN HA H 1 4.5 . . 1 . . . . . . . . 1814 1
36 . 1 1 8 8 ASN HB2 H 1 2.44 . . 2 . . . . . . . . 1814 1
37 . 1 1 8 8 ASN HB3 H 1 2.58 . . 2 . . . . . . . . 1814 1
38 . 1 1 9 9 PRO HA H 1 4.39 . . 1 . . . . . . . . 1814 1
39 . 1 1 9 9 PRO HB2 H 1 1.88 . . 1 . . . . . . . . 1814 1
40 . 1 1 9 9 PRO HB3 H 1 1.88 . . 1 . . . . . . . . 1814 1
41 . 1 1 9 9 PRO HD2 H 1 3.66 . . 1 . . . . . . . . 1814 1
42 . 1 1 9 9 PRO HD3 H 1 3.66 . . 1 . . . . . . . . 1814 1
43 . 1 1 10 10 ILE H H 1 7.89 . . 1 . . . . . . . . 1814 1
44 . 1 1 10 10 ILE HA H 1 4.11 . . 1 . . . . . . . . 1814 1
45 . 1 1 10 10 ILE HB H 1 1.8 . . 1 . . . . . . . . 1814 1
46 . 1 1 10 10 ILE HG12 H 1 1.29 . . 1 . . . . . . . . 1814 1
47 . 1 1 10 10 ILE HG13 H 1 1.29 . . 1 . . . . . . . . 1814 1
48 . 1 1 10 10 ILE HG21 H 1 .82 . . 1 . . . . . . . . 1814 1
49 . 1 1 10 10 ILE HG22 H 1 .82 . . 1 . . . . . . . . 1814 1
50 . 1 1 10 10 ILE HG23 H 1 .82 . . 1 . . . . . . . . 1814 1
51 . 1 1 10 10 ILE HD11 H 1 1.13 . . 1 . . . . . . . . 1814 1
52 . 1 1 10 10 ILE HD12 H 1 1.13 . . 1 . . . . . . . . 1814 1
53 . 1 1 10 10 ILE HD13 H 1 1.13 . . 1 . . . . . . . . 1814 1
54 . 1 1 11 11 SER H H 1 7.68 . . 1 . . . . . . . . 1814 1
55 . 1 1 11 11 SER HA H 1 4.3 . . 1 . . . . . . . . 1814 1
56 . 1 1 11 11 SER HB2 H 1 3.53 . . 2 . . . . . . . . 1814 1
57 . 1 1 11 11 SER HB3 H 1 3.62 . . 2 . . . . . . . . 1814 1
58 . 1 1 12 12 ASP H H 1 8.45 . . 1 . . . . . . . . 1814 1
59 . 1 1 12 12 ASP HA H 1 4.8 . . 1 . . . . . . . . 1814 1
60 . 1 1 12 12 ASP HB2 H 1 2.65 . . 2 . . . . . . . . 1814 1
61 . 1 1 12 12 ASP HB3 H 1 2.39 . . 2 . . . . . . . . 1814 1
62 . 1 1 13 13 PHE H H 1 7.76 . . 1 . . . . . . . . 1814 1
63 . 1 1 13 13 PHE HA H 1 4.54 . . 1 . . . . . . . . 1814 1
64 . 1 1 13 13 PHE HB2 H 1 2.79 . . 2 . . . . . . . . 1814 1
65 . 1 1 13 13 PHE HB3 H 1 2.99 . . 2 . . . . . . . . 1814 1
66 . 1 1 14 14 PRO HA H 1 4.4 . . 1 . . . . . . . . 1814 1
67 . 1 1 14 14 PRO HB2 H 1 2.03 . . 1 . . . . . . . . 1814 1
68 . 1 1 14 14 PRO HB3 H 1 2.03 . . 1 . . . . . . . . 1814 1
69 . 1 1 15 15 ASP H H 1 8.34 . . 1 . . . . . . . . 1814 1
70 . 1 1 15 15 ASP HA H 1 4.66 . . 1 . . . . . . . . 1814 1
71 . 1 1 15 15 ASP HB2 H 1 2.51 . . 2 . . . . . . . . 1814 1
72 . 1 1 15 15 ASP HB3 H 1 2.83 . . 2 . . . . . . . . 1814 1
73 . 1 1 16 16 THR H H 1 7.48 . . 1 . . . . . . . . 1814 1
74 . 1 1 16 16 THR HA H 1 4.32 . . 1 . . . . . . . . 1814 1
75 . 1 1 16 16 THR HB H 1 4.02 . . 1 . . . . . . . . 1814 1
76 . 1 1 16 16 THR HG21 H 1 1.03 . . 1 . . . . . . . . 1814 1
77 . 1 1 16 16 THR HG22 H 1 1.03 . . 1 . . . . . . . . 1814 1
78 . 1 1 16 16 THR HG23 H 1 1.03 . . 1 . . . . . . . . 1814 1
79 . 1 1 17 17 THR H H 1 7.71 . . 1 . . . . . . . . 1814 1
80 . 1 1 17 17 THR HA H 1 4.26 . . 1 . . . . . . . . 1814 1
81 . 1 1 17 17 THR HB H 1 4 . . 1 . . . . . . . . 1814 1
82 . 1 1 17 17 THR HG21 H 1 1.06 . . 1 . . . . . . . . 1814 1
83 . 1 1 17 17 THR HG22 H 1 1.06 . . 1 . . . . . . . . 1814 1
84 . 1 1 17 17 THR HG23 H 1 1.06 . . 1 . . . . . . . . 1814 1
85 . 1 1 18 18 SER H H 1 8.98 . . 1 . . . . . . . . 1814 1
86 . 1 1 18 18 SER HA H 1 4.63 . . 1 . . . . . . . . 1814 1
87 . 1 1 18 18 SER HB2 H 1 3.62 . . 1 . . . . . . . . 1814 1
88 . 1 1 18 18 SER HB3 H 1 3.62 . . 1 . . . . . . . . 1814 1
89 . 1 1 19 19 PRO HA H 1 4.96 . . 1 . . . . . . . . 1814 1
90 . 1 1 19 19 PRO HB2 H 1 1.26 . . 1 . . . . . . . . 1814 1
91 . 1 1 19 19 PRO HB3 H 1 1.26 . . 1 . . . . . . . . 1814 1
92 . 1 1 19 19 PRO HD2 H 1 4.01 . . 1 . . . . . . . . 1814 1
93 . 1 1 19 19 PRO HD3 H 1 4.01 . . 1 . . . . . . . . 1814 1
94 . 1 1 20 20 LYS H H 1 8.22 . . 1 . . . . . . . . 1814 1
95 . 1 1 20 20 LYS HA H 1 4.2 . . 1 . . . . . . . . 1814 1
96 . 1 1 20 20 LYS HB2 H 1 1.56 . . 2 . . . . . . . . 1814 1
97 . 1 1 20 20 LYS HB3 H 1 1.7 . . 2 . . . . . . . . 1814 1
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