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 2327
_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 . 2327 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 MET HA H 1 4.16 . . 1 . . . . . . . . 2327 1
2 . 1 1 1 1 MET HB2 H 1 2.18 . . 1 . . . . . . . . 2327 1
3 . 1 1 1 1 MET HB3 H 1 2.18 . . 1 . . . . . . . . 2327 1
4 . 1 1 1 1 MET HG2 H 1 2.6 . . 1 . . . . . . . . 2327 1
5 . 1 1 1 1 MET HG3 H 1 2.6 . . 1 . . . . . . . . 2327 1
6 . 1 1 1 1 MET HE1 H 1 2.1 . . 1 . . . . . . . . 2327 1
7 . 1 1 1 1 MET HE2 H 1 2.1 . . 1 . . . . . . . . 2327 1
8 . 1 1 1 1 MET HE3 H 1 2.1 . . 1 . . . . . . . . 2327 1
9 . 1 1 2 2 GLN H H 1 8.83 . . 1 . . . . . . . . 2327 1
10 . 1 1 2 2 GLN HA H 1 4.39 . . 1 . . . . . . . . 2327 1
11 . 1 1 2 2 GLN HB2 H 1 2 . . 2 . . . . . . . . 2327 1
12 . 1 1 2 2 GLN HB3 H 1 2.08 . . 2 . . . . . . . . 2327 1
13 . 1 1 2 2 GLN HG2 H 1 2.39 . . 1 . . . . . . . . 2327 1
14 . 1 1 2 2 GLN HG3 H 1 2.39 . . 1 . . . . . . . . 2327 1
15 . 1 1 2 2 GLN HE21 H 1 6.82 . . 2 . . . . . . . . 2327 1
16 . 1 1 2 2 GLN HE22 H 1 7.42 . . 2 . . . . . . . . 2327 1
17 . 1 1 3 3 ALA H H 1 8.58 . . 1 . . . . . . . . 2327 1
18 . 1 1 3 3 ALA HA H 1 4.28 . . 1 . . . . . . . . 2327 1
19 . 1 1 3 3 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 2327 1
20 . 1 1 3 3 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 2327 1
21 . 1 1 3 3 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 2327 1
22 . 1 1 4 4 GLN H H 1 8.42 . . 1 . . . . . . . . 2327 1
23 . 1 1 4 4 GLN HA H 1 4.58 . . 1 . . . . . . . . 2327 1
24 . 1 1 4 4 GLN HB2 H 1 1.81 . . 1 . . . . . . . . 2327 1
25 . 1 1 4 4 GLN HB3 H 1 1.96 . . 1 . . . . . . . . 2327 1
26 . 1 1 4 4 GLN HG2 H 1 2.27 . . 1 . . . . . . . . 2327 1
27 . 1 1 4 4 GLN HG3 H 1 2.27 . . 1 . . . . . . . . 2327 1
28 . 1 1 4 4 GLN HE21 H 1 7.63 . . 2 . . . . . . . . 2327 1
29 . 1 1 4 4 GLN HE22 H 1 6.93 . . 2 . . . . . . . . 2327 1
30 . 1 1 5 5 PRO HA H 1 4.7 . . 1 . . . . . . . . 2327 1
31 . 1 1 5 5 PRO HB2 H 1 1.9 . . 1 . . . . . . . . 2327 1
32 . 1 1 5 5 PRO HB3 H 1 2.37 . . 1 . . . . . . . . 2327 1
33 . 1 1 5 5 PRO HG2 H 1 2.02 . . 1 . . . . . . . . 2327 1
34 . 1 1 5 5 PRO HG3 H 1 2.02 . . 1 . . . . . . . . 2327 1
35 . 1 1 5 5 PRO HD2 H 1 3.54 . . 1 . . . . . . . . 2327 1
36 . 1 1 5 5 PRO HD3 H 1 3.79 . . 1 . . . . . . . . 2327 1
37 . 1 1 6 6 PRO HA H 1 4.41 . . 1 . . . . . . . . 2327 1
38 . 1 1 6 6 PRO HB2 H 1 1.89 . . 1 . . . . . . . . 2327 1
39 . 1 1 6 6 PRO HB3 H 1 2.31 . . 1 . . . . . . . . 2327 1
40 . 1 1 6 6 PRO HG2 H 1 2.06 . . 1 . . . . . . . . 2327 1
41 . 1 1 6 6 PRO HG3 H 1 2.06 . . 1 . . . . . . . . 2327 1
42 . 1 1 6 6 PRO HD2 H 1 3.66 . . 1 . . . . . . . . 2327 1
43 . 1 1 6 6 PRO HD3 H 1 3.83 . . 1 . . . . . . . . 2327 1
44 . 1 1 7 7 GLY H H 1 8.55 . . 1 . . . . . . . . 2327 1
45 . 1 1 7 7 GLY HA2 H 1 3.85 . . 1 . . . . . . . . 2327 1
46 . 1 1 7 7 GLY HA3 H 1 3.93 . . 1 . . . . . . . . 2327 1
47 . 1 1 8 8 TYR H H 1 7.94 . . 1 . . . . . . . . 2327 1
48 . 1 1 8 8 TYR HA H 1 4.46 . . 1 . . . . . . . . 2327 1
49 . 1 1 8 8 TYR HB2 H 1 3.02 . . 1 . . . . . . . . 2327 1
50 . 1 1 8 8 TYR HB3 H 1 2.96 . . 1 . . . . . . . . 2327 1
51 . 1 1 8 8 TYR HD1 H 1 7.06 . . 1 . . . . . . . . 2327 1
52 . 1 1 8 8 TYR HD2 H 1 7.06 . . 1 . . . . . . . . 2327 1
53 . 1 1 8 8 TYR HE1 H 1 6.78 . . 1 . . . . . . . . 2327 1
54 . 1 1 8 8 TYR HE2 H 1 6.78 . . 1 . . . . . . . . 2327 1
55 . 1 1 9 9 ARG H H 1 8.1 . . 1 . . . . . . . . 2327 1
56 . 1 1 9 9 ARG HA H 1 4.22 . . 1 . . . . . . . . 2327 1
57 . 1 1 9 9 ARG HB2 H 1 1.62 . . 2 . . . . . . . . 2327 1
58 . 1 1 9 9 ARG HB3 H 1 1.71 . . 2 . . . . . . . . 2327 1
59 . 1 1 9 9 ARG HG2 H 1 1.48 . . 1 . . . . . . . . 2327 1
60 . 1 1 9 9 ARG HG3 H 1 1.48 . . 1 . . . . . . . . 2327 1
61 . 1 1 9 9 ARG HD2 H 1 3.14 . . 1 . . . . . . . . 2327 1
62 . 1 1 9 9 ARG HD3 H 1 3.14 . . 1 . . . . . . . . 2327 1
63 . 1 1 9 9 ARG HE H 1 7.19 . . 1 . . . . . . . . 2327 1
64 . 1 1 10 10 HIS H H 1 8.54 . . 1 . . . . . . . . 2327 1
65 . 1 1 10 10 HIS HA H 1 4.61 . . 1 . . . . . . . . 2327 1
66 . 1 1 10 10 HIS HB2 H 1 3.14 . . 2 . . . . . . . . 2327 1
67 . 1 1 10 10 HIS HB3 H 1 3.19 . . 2 . . . . . . . . 2327 1
68 . 1 1 10 10 HIS HD2 H 1 7.24 . . 1 . . . . . . . . 2327 1
69 . 1 1 10 10 HIS HE1 H 1 8.52 . . 1 . . . . . . . . 2327 1
70 . 1 1 11 11 VAL H H 1 8.22 . . 1 . . . . . . . . 2327 1
71 . 1 1 11 11 VAL HA H 1 4.07 . . 1 . . . . . . . . 2327 1
72 . 1 1 11 11 VAL HB H 1 2.02 . . 1 . . . . . . . . 2327 1
73 . 1 1 12 12 ALA H H 1 8.5 . . 1 . . . . . . . . 2327 1
74 . 1 1 12 12 ALA HA H 1 4.32 . . 1 . . . . . . . . 2327 1
75 . 1 1 12 12 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 2327 1
76 . 1 1 12 12 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 2327 1
77 . 1 1 12 12 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 2327 1
78 . 1 1 13 13 ASP H H 1 8.33 . . 1 . . . . . . . . 2327 1
79 . 1 1 13 13 ASP HA H 1 4.58 . . 1 . . . . . . . . 2327 1
80 . 1 1 13 13 ASP HB2 H 1 2.69 . . 1 . . . . . . . . 2327 1
81 . 1 1 13 13 ASP HB3 H 1 2.69 . . 1 . . . . . . . . 2327 1
82 . 1 1 14 14 GLY H H 1 8.41 . . 1 . . . . . . . . 2327 1
83 . 1 1 14 14 GLY HA2 H 1 3.98 . . 2 . . . . . . . . 2327 1
84 . 1 1 14 14 GLY HA3 H 1 3.92 . . 2 . . . . . . . . 2327 1
85 . 1 1 15 15 GLU H H 1 8.22 . . 1 . . . . . . . . 2327 1
86 . 1 1 15 15 GLU HA H 1 4.31 . . 1 . . . . . . . . 2327 1
87 . 1 1 15 15 GLU HB2 H 1 2.05 . . 1 . . . . . . . . 2327 1
88 . 1 1 15 15 GLU HB3 H 1 1.91 . . 1 . . . . . . . . 2327 1
89 . 1 1 15 15 GLU HG2 H 1 2.21 . . 2 . . . . . . . . 2327 1
90 . 1 1 15 15 GLU HG3 H 1 2.27 . . 2 . . . . . . . . 2327 1
91 . 1 1 16 16 ASP H H 1 8.45 . . 1 . . . . . . . . 2327 1
92 . 1 1 16 16 ASP HA H 1 4.57 . . 1 . . . . . . . . 2327 1
93 . 1 1 16 16 ASP HB2 H 1 2.6 . . 2 . . . . . . . . 2327 1
94 . 1 1 16 16 ASP HB3 H 1 2.65 . . 2 . . . . . . . . 2327 1
95 . 1 1 17 17 HIS H H 1 8.23 . . 1 . . . . . . . . 2327 1
96 . 1 1 17 17 HIS HA H 1 4.69 . . 1 . . . . . . . . 2327 1
97 . 1 1 17 17 HIS HB2 H 1 3.21 . . 2 . . . . . . . . 2327 1
98 . 1 1 17 17 HIS HB3 H 1 3.29 . . 2 . . . . . . . . 2327 1
99 . 1 1 17 17 HIS HD2 H 1 7.31 . . 1 . . . . . . . . 2327 1
100 . 1 1 17 17 HIS HE1 H 1 8.55 . . 1 . . . . . . . . 2327 1
101 . 1 1 18 18 ALA H H 1 8.29 . . 1 . . . . . . . . 2327 1
102 . 1 1 18 18 ALA HA H 1 4.15 . . 1 . . . . . . . . 2327 1
103 . 1 1 18 18 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 2327 1
104 . 1 1 18 18 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 2327 1
105 . 1 1 18 18 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 2327 1
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save_