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 1825
_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 . 1825 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 2 2 PHE H H 1 9.005 . . 1 . . . . . . . . 1825 1
2 . 1 1 2 2 PHE HA H 1 4.96 . . 1 . . . . . . . . 1825 1
3 . 1 1 2 2 PHE HB2 H 1 3.44 . . 2 . . . . . . . . 1825 1
4 . 1 1 2 2 PHE HB3 H 1 3.15 . . 2 . . . . . . . . 1825 1
5 . 1 1 2 2 PHE HD1 H 1 7.31 . . 1 . . . . . . . . 1825 1
6 . 1 1 2 2 PHE HD2 H 1 7.31 . . 1 . . . . . . . . 1825 1
7 . 1 1 2 2 PHE HE1 H 1 7.31 . . 1 . . . . . . . . 1825 1
8 . 1 1 2 2 PHE HE2 H 1 7.31 . . 1 . . . . . . . . 1825 1
9 . 1 1 2 2 PHE HZ H 1 7.31 . . 1 . . . . . . . . 1825 1
10 . 1 1 3 3 ILE H H 1 8.26 . . 1 . . . . . . . . 1825 1
11 . 1 1 3 3 ILE HA H 1 3.825 . . 1 . . . . . . . . 1825 1
12 . 1 1 3 3 ILE HB H 1 1.745 . . 1 . . . . . . . . 1825 1
13 . 1 1 3 3 ILE HG12 H 1 1.56 . . 2 . . . . . . . . 1825 1
14 . 1 1 3 3 ILE HG13 H 1 1.1 . . 2 . . . . . . . . 1825 1
15 . 1 1 3 3 ILE HG21 H 1 .86 . . 1 . . . . . . . . 1825 1
16 . 1 1 3 3 ILE HG22 H 1 .86 . . 1 . . . . . . . . 1825 1
17 . 1 1 3 3 ILE HG23 H 1 .86 . . 1 . . . . . . . . 1825 1
18 . 1 1 3 3 ILE HD11 H 1 .875 . . 1 . . . . . . . . 1825 1
19 . 1 1 3 3 ILE HD12 H 1 .875 . . 1 . . . . . . . . 1825 1
20 . 1 1 3 3 ILE HD13 H 1 .875 . . 1 . . . . . . . . 1825 1
21 . 1 1 4 4 GLY H H 1 8.34 . . 1 . . . . . . . . 1825 1
22 . 1 1 4 4 GLY HA2 H 1 4.435 . . 2 . . . . . . . . 1825 1
23 . 1 1 4 4 GLY HA3 H 1 3.43 . . 2 . . . . . . . . 1825 1
24 . 1 1 5 5 TRP H H 1 8.81 . . 1 . . . . . . . . 1825 1
25 . 1 1 5 5 TRP HA H 1 5.2 . . 1 . . . . . . . . 1825 1
26 . 1 1 5 5 TRP HB2 H 1 3.32 . . 2 . . . . . . . . 1825 1
27 . 1 1 5 5 TRP HB3 H 1 3.12 . . 2 . . . . . . . . 1825 1
28 . 1 1 5 5 TRP HD1 H 1 7.255 . . 1 . . . . . . . . 1825 1
29 . 1 1 5 5 TRP HE1 H 1 10.3 . . 1 . . . . . . . . 1825 1
30 . 1 1 5 5 TRP HE3 H 1 7.73 . . 1 . . . . . . . . 1825 1
31 . 1 1 5 5 TRP HZ2 H 1 7.395 . . 1 . . . . . . . . 1825 1
32 . 1 1 5 5 TRP HZ3 H 1 7.015 . . 1 . . . . . . . . 1825 1
33 . 1 1 5 5 TRP HH2 H 1 7.165 . . 1 . . . . . . . . 1825 1
34 . 1 1 6 6 GLY H H 1 7.505 . . 1 . . . . . . . . 1825 1
35 . 1 1 6 6 GLY HA2 H 1 4.285 . . 2 . . . . . . . . 1825 1
36 . 1 1 6 6 GLY HA3 H 1 3.595 . . 2 . . . . . . . . 1825 1
37 . 1 1 7 7 ASN H H 1 8.085 . . 1 . . . . . . . . 1825 1
38 . 1 1 7 7 ASN HA H 1 4.98 . . 1 . . . . . . . . 1825 1
39 . 1 1 7 7 ASN HB2 H 1 3 . . 2 . . . . . . . . 1825 1
40 . 1 1 7 7 ASN HB3 H 1 2.68 . . 2 . . . . . . . . 1825 1
41 . 1 1 7 7 ASN HD21 H 1 7.725 . . 2 . . . . . . . . 1825 1
42 . 1 1 7 7 ASN HD22 H 1 6.96 . . 2 . . . . . . . . 1825 1
43 . 1 1 9 9 ILE H H 1 8.305 . . 1 . . . . . . . . 1825 1
44 . 1 1 9 9 ILE HA H 1 3.86 . . 1 . . . . . . . . 1825 1
45 . 1 1 9 9 ILE HB H 1 1.575 . . 1 . . . . . . . . 1825 1
46 . 1 1 9 9 ILE HG12 H 1 .96 . . 2 . . . . . . . . 1825 1
47 . 1 1 9 9 ILE HG13 H 1 .875 . . 2 . . . . . . . . 1825 1
48 . 1 1 9 9 ILE HG21 H 1 .31 . . 1 . . . . . . . . 1825 1
49 . 1 1 9 9 ILE HG22 H 1 .31 . . 1 . . . . . . . . 1825 1
50 . 1 1 9 9 ILE HG23 H 1 .31 . . 1 . . . . . . . . 1825 1
51 . 1 1 9 9 ILE HD11 H 1 .685 . . 1 . . . . . . . . 1825 1
52 . 1 1 9 9 ILE HD12 H 1 .685 . . 1 . . . . . . . . 1825 1
53 . 1 1 9 9 ILE HD13 H 1 .685 . . 1 . . . . . . . . 1825 1
54 . 1 1 10 10 PHE H H 1 7.2 . . 1 . . . . . . . . 1825 1
55 . 1 1 10 10 PHE HA H 1 5.09 . . 1 . . . . . . . . 1825 1
56 . 1 1 10 10 PHE HB2 H 1 3.745 . . 2 . . . . . . . . 1825 1
57 . 1 1 10 10 PHE HB3 H 1 2.62 . . 2 . . . . . . . . 1825 1
58 . 1 1 10 10 PHE HD1 H 1 7.23 . . 1 . . . . . . . . 1825 1
59 . 1 1 10 10 PHE HD2 H 1 7.23 . . 1 . . . . . . . . 1825 1
60 . 1 1 10 10 PHE HE1 H 1 7.23 . . 1 . . . . . . . . 1825 1
61 . 1 1 10 10 PHE HE2 H 1 7.23 . . 1 . . . . . . . . 1825 1
62 . 1 1 10 10 PHE HZ H 1 7.23 . . 1 . . . . . . . . 1825 1
63 . 1 1 11 11 GLY H H 1 8.8 . . 1 . . . . . . . . 1825 1
64 . 1 1 11 11 GLY HA2 H 1 4.09 . . 2 . . . . . . . . 1825 1
65 . 1 1 11 11 GLY HA3 H 1 3.98 . . 2 . . . . . . . . 1825 1
66 . 1 1 12 12 HIS H H 1 7.59 . . 1 . . . . . . . . 1825 1
67 . 1 1 12 12 HIS HA H 1 5.33 . . 1 . . . . . . . . 1825 1
68 . 1 1 12 12 HIS HB2 H 1 4.215 . . 2 . . . . . . . . 1825 1
69 . 1 1 12 12 HIS HB3 H 1 2.49 . . 2 . . . . . . . . 1825 1
70 . 1 1 12 12 HIS HD2 H 1 7.17 . . 1 . . . . . . . . 1825 1
71 . 1 1 12 12 HIS HE1 H 1 8.345 . . 1 . . . . . . . . 1825 1
72 . 1 1 13 13 TYR H H 1 7.86 . . 1 . . . . . . . . 1825 1
73 . 1 1 13 13 TYR HA H 1 4.375 . . 1 . . . . . . . . 1825 1
74 . 1 1 13 13 TYR HB2 H 1 2.99 . . 2 . . . . . . . . 1825 1
75 . 1 1 13 13 TYR HB3 H 1 2.83 . . 2 . . . . . . . . 1825 1
76 . 1 1 13 13 TYR HD1 H 1 7.39 . . 1 . . . . . . . . 1825 1
77 . 1 1 13 13 TYR HD2 H 1 7.39 . . 1 . . . . . . . . 1825 1
78 . 1 1 13 13 TYR HE1 H 1 6.87 . . 1 . . . . . . . . 1825 1
79 . 1 1 13 13 TYR HE2 H 1 6.87 . . 1 . . . . . . . . 1825 1
80 . 1 1 14 14 SER H H 1 8.49 . . 1 . . . . . . . . 1825 1
81 . 1 1 14 14 SER HA H 1 4.515 . . 1 . . . . . . . . 1825 1
82 . 1 1 14 14 SER HB2 H 1 3.94 . . 2 . . . . . . . . 1825 1
83 . 1 1 14 14 SER HB3 H 1 3.725 . . 2 . . . . . . . . 1825 1
84 . 1 1 15 15 GLY H H 1 5.885 . . 1 . . . . . . . . 1825 1
85 . 1 1 15 15 GLY HA2 H 1 3.95 . . 2 . . . . . . . . 1825 1
86 . 1 1 15 15 GLY HA3 H 1 3.49 . . 2 . . . . . . . . 1825 1
87 . 1 1 16 16 ASP H H 1 8.19 . . 1 . . . . . . . . 1825 1
88 . 1 1 16 16 ASP HA H 1 4.68 . . 1 . . . . . . . . 1825 1
89 . 1 1 16 16 ASP HB2 H 1 2.76 . . 2 . . . . . . . . 1825 1
90 . 1 1 16 16 ASP HB3 H 1 2.625 . . 2 . . . . . . . . 1825 1
91 . 1 1 17 17 PHE H H 1 7.98 . . 1 . . . . . . . . 1825 1
92 . 1 1 17 17 PHE HA H 1 4.54 . . 1 . . . . . . . . 1825 1
93 . 1 1 17 17 PHE HB2 H 1 3.19 . . 2 . . . . . . . . 1825 1
94 . 1 1 17 17 PHE HB3 H 1 3.035 . . 2 . . . . . . . . 1825 1
95 . 1 1 17 17 PHE HD1 H 1 7.25 . . 1 . . . . . . . . 1825 1
96 . 1 1 17 17 PHE HD2 H 1 7.25 . . 1 . . . . . . . . 1825 1
97 . 1 1 17 17 PHE HE1 H 1 7.25 . . 1 . . . . . . . . 1825 1
98 . 1 1 17 17 PHE HE2 H 1 7.25 . . 1 . . . . . . . . 1825 1
99 . 1 1 17 17 PHE HZ H 1 7.25 . . 1 . . . . . . . . 1825 1
stop_
save_