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 1709
_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 . 1709 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 GLY HA2 H 1 3.82 . . 1 . . . . . . . . 1709 1
2 . 1 1 1 1 GLY HA3 H 1 3.82 . . 1 . . . . . . . . 1709 1
3 . 1 1 2 2 VAL H H 1 8.6 . . 1 . . . . . . . . 1709 1
4 . 1 1 2 2 VAL HA H 1 4.12 . . 1 . . . . . . . . 1709 1
5 . 1 1 2 2 VAL HB H 1 2.06 . . 1 . . . . . . . . 1709 1
6 . 1 1 2 2 VAL HG11 H 1 .89 . . 1 . . . . . . . . 1709 1
7 . 1 1 2 2 VAL HG12 H 1 .89 . . 1 . . . . . . . . 1709 1
8 . 1 1 2 2 VAL HG13 H 1 .89 . . 1 . . . . . . . . 1709 1
9 . 1 1 2 2 VAL HG21 H 1 .89 . . 1 . . . . . . . . 1709 1
10 . 1 1 2 2 VAL HG22 H 1 .89 . . 1 . . . . . . . . 1709 1
11 . 1 1 2 2 VAL HG23 H 1 .89 . . 1 . . . . . . . . 1709 1
12 . 1 1 3 3 LYS H H 1 8.61 . . 1 . . . . . . . . 1709 1
13 . 1 1 3 3 LYS HA H 1 4.24 . . 1 . . . . . . . . 1709 1
14 . 1 1 3 3 LYS HB2 H 1 1.68 . . 2 . . . . . . . . 1709 1
15 . 1 1 3 3 LYS HB3 H 1 1.74 . . 2 . . . . . . . . 1709 1
16 . 1 1 3 3 LYS HG2 H 1 1.34 . . 2 . . . . . . . . 1709 1
17 . 1 1 3 3 LYS HG3 H 1 1.37 . . 2 . . . . . . . . 1709 1
18 . 1 1 3 3 LYS HD2 H 1 1.63 . . 1 . . . . . . . . 1709 1
19 . 1 1 3 3 LYS HD3 H 1 1.63 . . 1 . . . . . . . . 1709 1
20 . 1 1 3 3 LYS HE2 H 1 2.93 . . 1 . . . . . . . . 1709 1
21 . 1 1 3 3 LYS HE3 H 1 2.93 . . 1 . . . . . . . . 1709 1
22 . 1 1 4 4 GLY H H 1 8.44 . . 1 . . . . . . . . 1709 1
23 . 1 1 4 4 GLY HA2 H 1 3.87 . . 1 . . . . . . . . 1709 1
24 . 1 1 4 4 GLY HA3 H 1 3.87 . . 1 . . . . . . . . 1709 1
25 . 1 1 5 5 ASP H H 1 8.27 . . 1 . . . . . . . . 1709 1
26 . 1 1 5 5 ASP HA H 1 4.51 . . 1 . . . . . . . . 1709 1
27 . 1 1 5 5 ASP HB2 H 1 2.6 . . 1 . . . . . . . . 1709 1
28 . 1 1 5 5 ASP HB3 H 1 2.6 . . 1 . . . . . . . . 1709 1
29 . 1 1 6 6 LYS H H 1 8.42 . . 1 . . . . . . . . 1709 1
30 . 1 1 6 6 LYS HA H 1 4.12 . . 1 . . . . . . . . 1709 1
31 . 1 1 6 6 LYS HB2 H 1 1.63 . . 2 . . . . . . . . 1709 1
32 . 1 1 6 6 LYS HB3 H 1 1.73 . . 2 . . . . . . . . 1709 1
33 . 1 1 6 6 LYS HG2 H 1 1.26 . . 1 . . . . . . . . 1709 1
34 . 1 1 6 6 LYS HG3 H 1 1.26 . . 1 . . . . . . . . 1709 1
35 . 1 1 6 6 LYS HD2 H 1 1.54 . . 1 . . . . . . . . 1709 1
36 . 1 1 6 6 LYS HD3 H 1 1.54 . . 1 . . . . . . . . 1709 1
37 . 1 1 6 6 LYS HE2 H 1 2.88 . . 1 . . . . . . . . 1709 1
38 . 1 1 6 6 LYS HE3 H 1 2.88 . . 1 . . . . . . . . 1709 1
39 . 1 1 7 7 GLY H H 1 8.37 . . 1 . . . . . . . . 1709 1
40 . 1 1 7 7 GLY HA2 H 1 3.85 . . 1 . . . . . . . . 1709 1
41 . 1 1 7 7 GLY HA3 H 1 3.85 . . 1 . . . . . . . . 1709 1
42 . 1 1 8 8 ASN H H 1 8.18 . . 1 . . . . . . . . 1709 1
43 . 1 1 8 8 ASN HA H 1 4.88 . . 1 . . . . . . . . 1709 1
44 . 1 1 8 8 ASN HB2 H 1 2.51 . . 2 . . . . . . . . 1709 1
45 . 1 1 8 8 ASN HB3 H 1 2.64 . . 2 . . . . . . . . 1709 1
46 . 1 1 9 9 PRO HA H 1 4.32 . . 1 . . . . . . . . 1709 1
47 . 1 1 9 9 PRO HB2 H 1 1.88 . . 2 . . . . . . . . 1709 1
48 . 1 1 9 9 PRO HB3 H 1 2.11 . . 2 . . . . . . . . 1709 1
49 . 1 1 9 9 PRO HG2 H 1 1.87 . . 1 . . . . . . . . 1709 1
50 . 1 1 9 9 PRO HG3 H 1 1.87 . . 1 . . . . . . . . 1709 1
51 . 1 1 9 9 PRO HD2 H 1 3.58 . . 2 . . . . . . . . 1709 1
52 . 1 1 9 9 PRO HD3 H 1 3.66 . . 2 . . . . . . . . 1709 1
53 . 1 1 10 10 GLY H H 1 8.39 . . 1 . . . . . . . . 1709 1
54 . 1 1 10 10 GLY HA2 H 1 3.79 . . 1 . . . . . . . . 1709 1
55 . 1 1 10 10 GLY HA3 H 1 3.79 . . 1 . . . . . . . . 1709 1
56 . 1 1 11 11 TRP H H 1 7.93 . . 1 . . . . . . . . 1709 1
57 . 1 1 11 11 TRP HA H 1 4.91 . . 1 . . . . . . . . 1709 1
58 . 1 1 11 11 TRP HB2 H 1 3.27 . . 2 . . . . . . . . 1709 1
59 . 1 1 11 11 TRP HB3 H 1 3.13 . . 2 . . . . . . . . 1709 1
60 . 1 1 11 11 TRP HD1 H 1 7.21 . . 1 . . . . . . . . 1709 1
61 . 1 1 11 11 TRP HE3 H 1 7.62 . . 1 . . . . . . . . 1709 1
62 . 1 1 11 11 TRP HZ2 H 1 7.46 . . 1 . . . . . . . . 1709 1
63 . 1 1 11 11 TRP HZ3 H 1 7.1 . . 1 . . . . . . . . 1709 1
64 . 1 1 11 11 TRP HH2 H 1 7.21 . . 1 . . . . . . . . 1709 1
65 . 1 1 12 12 PRO HA H 1 4.32 . . 1 . . . . . . . . 1709 1
66 . 1 1 12 12 PRO HB2 H 1 1.8 . . 2 . . . . . . . . 1709 1
67 . 1 1 12 12 PRO HB3 H 1 2.12 . . 2 . . . . . . . . 1709 1
68 . 1 1 12 12 PRO HG2 H 1 1.83 . . 1 . . . . . . . . 1709 1
69 . 1 1 12 12 PRO HG3 H 1 1.83 . . 1 . . . . . . . . 1709 1
70 . 1 1 12 12 PRO HD2 H 1 3.72 . . 2 . . . . . . . . 1709 1
71 . 1 1 12 12 PRO HD3 H 1 3.38 . . 2 . . . . . . . . 1709 1
72 . 1 1 13 13 GLY H H 1 7.62 . . 1 . . . . . . . . 1709 1
73 . 1 1 13 13 GLY HA2 H 1 3.65 . . 2 . . . . . . . . 1709 1
74 . 1 1 13 13 GLY HA3 H 1 3.75 . . 2 . . . . . . . . 1709 1
75 . 1 1 14 14 ALA H H 1 7.94 . . 1 . . . . . . . . 1709 1
76 . 1 1 14 14 ALA HA H 1 4.3 . . 1 . . . . . . . . 1709 1
77 . 1 1 14 14 ALA HB1 H 1 1.14 . . 1 . . . . . . . . 1709 1
78 . 1 1 14 14 ALA HB2 H 1 1.14 . . 1 . . . . . . . . 1709 1
79 . 1 1 14 14 ALA HB3 H 1 1.14 . . 1 . . . . . . . . 1709 1
80 . 1 1 15 15 PRO HA H 1 4.31 . . 1 . . . . . . . . 1709 1
81 . 1 1 15 15 PRO HB2 H 1 1.8 . . 2 . . . . . . . . 1709 1
82 . 1 1 15 15 PRO HB3 H 1 2.05 . . 2 . . . . . . . . 1709 1
83 . 1 1 15 15 PRO HG2 H 1 1.85 . . 1 . . . . . . . . 1709 1
84 . 1 1 15 15 PRO HG3 H 1 1.85 . . 1 . . . . . . . . 1709 1
85 . 1 1 15 15 PRO HD2 H 1 3.6 . . 2 . . . . . . . . 1709 1
86 . 1 1 15 15 PRO HD3 H 1 3.43 . . 2 . . . . . . . . 1709 1
87 . 1 1 16 16 TYR H H 1 7.47 . . 1 . . . . . . . . 1709 1
88 . 1 1 16 16 TYR HA H 1 4.82 . . 1 . . . . . . . . 1709 1
89 . 1 1 16 16 TYR HB2 H 1 2.86 . . 2 . . . . . . . . 1709 1
90 . 1 1 16 16 TYR HB3 H 1 2.97 . . 2 . . . . . . . . 1709 1
91 . 1 1 16 16 TYR HD1 H 1 7.05 . . 1 . . . . . . . . 1709 1
92 . 1 1 16 16 TYR HD2 H 1 7.05 . . 1 . . . . . . . . 1709 1
93 . 1 1 16 16 TYR HE1 H 1 6.77 . . 1 . . . . . . . . 1709 1
94 . 1 1 16 16 TYR HE2 H 1 6.77 . . 1 . . . . . . . . 1709 1
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save_