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 1656
_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 . 1656 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 LYS HA H 1 3.93 . . 1 . . . . . . . . 1656 1
2 . 1 1 1 1 LYS HB2 H 1 1.84 . . 1 . . . . . . . . 1656 1
3 . 1 1 1 1 LYS HB3 H 1 1.84 . . 1 . . . . . . . . 1656 1
4 . 1 1 1 1 LYS HG2 H 1 1.42 . . 1 . . . . . . . . 1656 1
5 . 1 1 1 1 LYS HG3 H 1 1.42 . . 1 . . . . . . . . 1656 1
6 . 1 1 1 1 LYS HD2 H 1 1.64 . . 1 . . . . . . . . 1656 1
7 . 1 1 1 1 LYS HD3 H 1 1.64 . . 1 . . . . . . . . 1656 1
8 . 1 1 1 1 LYS HE2 H 1 2.89 . . 1 . . . . . . . . 1656 1
9 . 1 1 1 1 LYS HE3 H 1 2.89 . . 1 . . . . . . . . 1656 1
10 . 1 1 2 2 GLY H H 1 8.74 . . 1 . . . . . . . . 1656 1
11 . 1 1 2 2 GLY HA2 H 1 3.37 . . 2 . . . . . . . . 1656 1
12 . 1 1 2 2 GLY HA3 H 1 3.74 . . 2 . . . . . . . . 1656 1
13 . 1 1 3 3 CYS H H 1 8.19 . . 1 . . . . . . . . 1656 1
14 . 1 1 3 3 CYS HA H 1 3.96 . . 1 . . . . . . . . 1656 1
15 . 1 1 3 3 CYS HB2 H 1 2 . . 2 . . . . . . . . 1656 1
16 . 1 1 3 3 CYS HB3 H 1 2.84 . . 2 . . . . . . . . 1656 1
17 . 1 1 4 4 TRP H H 1 8.79 . . 1 . . . . . . . . 1656 1
18 . 1 1 4 4 TRP HA H 1 4.36 . . 1 . . . . . . . . 1656 1
19 . 1 1 4 4 TRP HB2 H 1 3.35 . . 2 . . . . . . . . 1656 1
20 . 1 1 4 4 TRP HB3 H 1 3.46 . . 2 . . . . . . . . 1656 1
21 . 1 1 4 4 TRP HD1 H 1 7.31 . . 1 . . . . . . . . 1656 1
22 . 1 1 4 4 TRP HE1 H 1 10.16 . . 1 . . . . . . . . 1656 1
23 . 1 1 4 4 TRP HE3 H 1 7.57 . . 1 . . . . . . . . 1656 1
24 . 1 1 4 4 TRP HZ2 H 1 7.46 . . 1 . . . . . . . . 1656 1
25 . 1 1 4 4 TRP HZ3 H 1 7.1 . . 1 . . . . . . . . 1656 1
26 . 1 1 4 4 TRP HH2 H 1 7.19 . . 1 . . . . . . . . 1656 1
27 . 1 1 5 5 LYS H H 1 9.39 . . 1 . . . . . . . . 1656 1
28 . 1 1 5 5 LYS HA H 1 4.16 . . 1 . . . . . . . . 1656 1
29 . 1 1 5 5 LYS HB2 H 1 2.26 . . 1 . . . . . . . . 1656 1
30 . 1 1 5 5 LYS HB3 H 1 2.26 . . 1 . . . . . . . . 1656 1
31 . 1 1 5 5 LYS HG2 H 1 1.64 . . 1 . . . . . . . . 1656 1
32 . 1 1 5 5 LYS HG3 H 1 1.64 . . 1 . . . . . . . . 1656 1
33 . 1 1 5 5 LYS HD2 H 1 1.25 . . 1 . . . . . . . . 1656 1
34 . 1 1 5 5 LYS HD3 H 1 1.25 . . 1 . . . . . . . . 1656 1
35 . 1 1 5 5 LYS HE2 H 1 2.88 . . 1 . . . . . . . . 1656 1
36 . 1 1 5 5 LYS HE3 H 1 2.88 . . 1 . . . . . . . . 1656 1
37 . 1 1 6 6 CYS H H 1 8.5 . . 1 . . . . . . . . 1656 1
38 . 1 1 6 6 CYS HA H 1 4.89 . . 1 . . . . . . . . 1656 1
39 . 1 1 6 6 CYS HB2 H 1 2.49 . . 2 . . . . . . . . 1656 1
40 . 1 1 6 6 CYS HB3 H 1 3.17 . . 2 . . . . . . . . 1656 1
41 . 1 1 7 7 GLY H H 1 8.16 . . 1 . . . . . . . . 1656 1
42 . 1 1 7 7 GLY HA2 H 1 3.8 . . 2 . . . . . . . . 1656 1
43 . 1 1 7 7 GLY HA3 H 1 4.07 . . 2 . . . . . . . . 1656 1
44 . 1 1 8 8 LYS H H 1 8.46 . . 1 . . . . . . . . 1656 1
45 . 1 1 8 8 LYS HA H 1 4.34 . . 1 . . . . . . . . 1656 1
46 . 1 1 8 8 LYS HB2 H 1 1.85 . . 1 . . . . . . . . 1656 1
47 . 1 1 8 8 LYS HB3 H 1 1.85 . . 1 . . . . . . . . 1656 1
48 . 1 1 8 8 LYS HG2 H 1 1.39 . . 1 . . . . . . . . 1656 1
49 . 1 1 8 8 LYS HG3 H 1 1.39 . . 1 . . . . . . . . 1656 1
50 . 1 1 8 8 LYS HD2 H 1 1.56 . . 1 . . . . . . . . 1656 1
51 . 1 1 8 8 LYS HD3 H 1 1.56 . . 1 . . . . . . . . 1656 1
52 . 1 1 8 8 LYS HE2 H 1 2.94 . . 1 . . . . . . . . 1656 1
53 . 1 1 8 8 LYS HE3 H 1 2.94 . . 1 . . . . . . . . 1656 1
54 . 1 1 9 9 GLU H H 1 8.58 . . 1 . . . . . . . . 1656 1
55 . 1 1 9 9 GLU HA H 1 4.16 . . 1 . . . . . . . . 1656 1
56 . 1 1 9 9 GLU HB2 H 1 1.79 . . 2 . . . . . . . . 1656 1
57 . 1 1 9 9 GLU HB3 H 1 1.98 . . 2 . . . . . . . . 1656 1
58 . 1 1 9 9 GLU HG2 H 1 2.14 . . 2 . . . . . . . . 1656 1
59 . 1 1 9 9 GLU HG3 H 1 2.26 . . 2 . . . . . . . . 1656 1
60 . 1 1 10 10 GLY H H 1 8.75 . . 1 . . . . . . . . 1656 1
61 . 1 1 10 10 GLY HA2 H 1 4.36 . . 2 . . . . . . . . 1656 1
62 . 1 1 10 10 GLY HA3 H 1 3.66 . . 2 . . . . . . . . 1656 1
63 . 1 1 11 11 HIS H H 1 7.16 . . 1 . . . . . . . . 1656 1
64 . 1 1 11 11 HIS HA H 1 4.78 . . 1 . . . . . . . . 1656 1
65 . 1 1 11 11 HIS HB2 H 1 3.16 . . 1 . . . . . . . . 1656 1
66 . 1 1 11 11 HIS HB3 H 1 3.16 . . 1 . . . . . . . . 1656 1
67 . 1 1 11 11 HIS HD2 H 1 6.8 . . 1 . . . . . . . . 1656 1
68 . 1 1 11 11 HIS HE1 H 1 7.44 . . 1 . . . . . . . . 1656 1
69 . 1 1 12 12 GLN H H 1 9.03 . . 1 . . . . . . . . 1656 1
70 . 1 1 12 12 GLN HA H 1 4.63 . . 1 . . . . . . . . 1656 1
71 . 1 1 12 12 GLN HB2 H 1 1.89 . . 2 . . . . . . . . 1656 1
72 . 1 1 12 12 GLN HB3 H 1 2.03 . . 2 . . . . . . . . 1656 1
73 . 1 1 12 12 GLN HG2 H 1 2.03 . . 1 . . . . . . . . 1656 1
74 . 1 1 12 12 GLN HG3 H 1 2.03 . . 1 . . . . . . . . 1656 1
75 . 1 1 13 13 MET H H 1 9.03 . . 1 . . . . . . . . 1656 1
76 . 1 1 13 13 MET HA H 1 4.76 . . 1 . . . . . . . . 1656 1
77 . 1 1 13 13 MET HB2 H 1 2.16 . . 1 . . . . . . . . 1656 1
78 . 1 1 13 13 MET HB3 H 1 2.16 . . 1 . . . . . . . . 1656 1
79 . 1 1 13 13 MET HG2 H 1 2.49 . . 1 . . . . . . . . 1656 1
80 . 1 1 13 13 MET HG3 H 1 2.49 . . 1 . . . . . . . . 1656 1
81 . 1 1 13 13 MET HE1 H 1 2.1 . . 1 . . . . . . . . 1656 1
82 . 1 1 13 13 MET HE2 H 1 2.1 . . 1 . . . . . . . . 1656 1
83 . 1 1 13 13 MET HE3 H 1 2.1 . . 1 . . . . . . . . 1656 1
84 . 1 1 14 14 LYS H H 1 8.77 . . 1 . . . . . . . . 1656 1
85 . 1 1 14 14 LYS HA H 1 4.12 . . 1 . . . . . . . . 1656 1
86 . 1 1 14 14 LYS HB2 H 1 1.71 . . 1 . . . . . . . . 1656 1
87 . 1 1 14 14 LYS HB3 H 1 1.71 . . 1 . . . . . . . . 1656 1
88 . 1 1 14 14 LYS HG2 H 1 1.85 . . 1 . . . . . . . . 1656 1
89 . 1 1 14 14 LYS HG3 H 1 1.85 . . 1 . . . . . . . . 1656 1
90 . 1 1 14 14 LYS HD2 H 1 1.21 . . 1 . . . . . . . . 1656 1
91 . 1 1 14 14 LYS HD3 H 1 1.21 . . 1 . . . . . . . . 1656 1
92 . 1 1 14 14 LYS HE2 H 1 2.87 . . 1 . . . . . . . . 1656 1
93 . 1 1 14 14 LYS HE3 H 1 2.87 . . 1 . . . . . . . . 1656 1
94 . 1 1 15 15 ASP H H 1 7.96 . . 1 . . . . . . . . 1656 1
95 . 1 1 15 15 ASP HA H 1 4.88 . . 1 . . . . . . . . 1656 1
96 . 1 1 15 15 ASP HB2 H 1 2.51 . . 2 . . . . . . . . 1656 1
97 . 1 1 15 15 ASP HB3 H 1 2.94 . . 2 . . . . . . . . 1656 1
98 . 1 1 16 16 CYS H H 1 7.75 . . 1 . . . . . . . . 1656 1
99 . 1 1 16 16 CYS HA H 1 3.65 . . 1 . . . . . . . . 1656 1
100 . 1 1 16 16 CYS HB2 H 1 2.85 . . 2 . . . . . . . . 1656 1
101 . 1 1 16 16 CYS HB3 H 1 3.28 . . 2 . . . . . . . . 1656 1
102 . 1 1 17 17 THR H H 1 8.44 . . 1 . . . . . . . . 1656 1
103 . 1 1 17 17 THR HA H 1 4.43 . . 1 . . . . . . . . 1656 1
104 . 1 1 17 17 THR HB H 1 4.43 . . 1 . . . . . . . . 1656 1
105 . 1 1 17 17 THR HG21 H 1 1.06 . . 1 . . . . . . . . 1656 1
106 . 1 1 17 17 THR HG22 H 1 1.06 . . 1 . . . . . . . . 1656 1
107 . 1 1 17 17 THR HG23 H 1 1.06 . . 1 . . . . . . . . 1656 1
108 . 1 1 18 18 GLU H H 1 8.67 . . 1 . . . . . . . . 1656 1
109 . 1 1 18 18 GLU HA H 1 4.04 . . 1 . . . . . . . . 1656 1
110 . 1 1 18 18 GLU HB2 H 1 1.82 . . 1 . . . . . . . . 1656 1
111 . 1 1 18 18 GLU HB3 H 1 1.82 . . 1 . . . . . . . . 1656 1
112 . 1 1 18 18 GLU HG2 H 1 2.34 . . 2 . . . . . . . . 1656 1
113 . 1 1 18 18 GLU HG3 H 1 2.16 . . 2 . . . . . . . . 1656 1
stop_
save_