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 407
_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 . 407 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 PCA H H 1 7.62 . . 1 . . . . . . . . 407 1
2 . 1 1 1 1 PCA HA H 1 4.31 . . 1 . . . . . . . . 407 1
3 . 1 1 1 1 PCA HB3 H 1 2.11 . . 2 . . . . . . . . 407 1
4 . 1 1 1 1 PCA HB2 H 1 2.57 . . 2 . . . . . . . . 407 1
5 . 1 1 1 1 PCA HG3 H 1 2.43 . . 1 . . . . . . . . 407 1
6 . 1 1 1 1 PCA HG2 H 1 2.43 . . 1 . . . . . . . . 407 1
7 . 1 1 2 2 GLN H H 1 8.28 . . 1 . . . . . . . . 407 1
8 . 1 1 2 2 GLN HA H 1 4.31 . . 1 . . . . . . . . 407 1
9 . 1 1 2 2 GLN HB2 H 1 2.1 . . 1 . . . . . . . . 407 1
10 . 1 1 2 2 GLN HB3 H 1 2.1 . . 1 . . . . . . . . 407 1
11 . 1 1 2 2 GLN HG2 H 1 2.42 . . 1 . . . . . . . . 407 1
12 . 1 1 2 2 GLN HG3 H 1 2.42 . . 1 . . . . . . . . 407 1
13 . 1 1 3 3 ARG H H 1 8.23 . . 1 . . . . . . . . 407 1
14 . 1 1 3 3 ARG HA H 1 4.35 . . 1 . . . . . . . . 407 1
15 . 1 1 3 3 ARG HB2 H 1 1.66 . . 2 . . . . . . . . 407 1
16 . 1 1 3 3 ARG HB3 H 1 1.79 . . 2 . . . . . . . . 407 1
17 . 1 1 3 3 ARG HG2 H 1 1.68 . . 1 . . . . . . . . 407 1
18 . 1 1 3 3 ARG HG3 H 1 1.68 . . 1 . . . . . . . . 407 1
19 . 1 1 3 3 ARG HD2 H 1 3.2 . . 1 . . . . . . . . 407 1
20 . 1 1 3 3 ARG HD3 H 1 3.2 . . 1 . . . . . . . . 407 1
21 . 1 1 3 3 ARG HE H 1 7.12 . . 1 . . . . . . . . 407 1
22 . 1 1 4 4 LEU H H 1 7.88 . . 1 . . . . . . . . 407 1
23 . 1 1 4 4 LEU HA H 1 4.4 . . 1 . . . . . . . . 407 1
24 . 1 1 4 4 LEU HB2 H 1 1.67 . . 1 . . . . . . . . 407 1
25 . 1 1 4 4 LEU HB3 H 1 1.67 . . 1 . . . . . . . . 407 1
26 . 1 1 4 4 LEU HG H 1 1.72 . . 1 . . . . . . . . 407 1
27 . 1 1 4 4 LEU HD11 H 1 .87 . . 1 . . . . . . . . 407 1
28 . 1 1 4 4 LEU HD12 H 1 .87 . . 1 . . . . . . . . 407 1
29 . 1 1 4 4 LEU HD13 H 1 .87 . . 1 . . . . . . . . 407 1
30 . 1 1 4 4 LEU HD21 H 1 .87 . . 1 . . . . . . . . 407 1
31 . 1 1 4 4 LEU HD22 H 1 .87 . . 1 . . . . . . . . 407 1
32 . 1 1 4 4 LEU HD23 H 1 .87 . . 1 . . . . . . . . 407 1
33 . 1 1 5 5 GLY H H 1 8.1 . . 1 . . . . . . . . 407 1
34 . 1 1 5 5 GLY HA2 H 1 4.01 . . 1 . . . . . . . . 407 1
35 . 1 1 5 5 GLY HA3 H 1 4.01 . . 1 . . . . . . . . 407 1
36 . 1 1 6 6 ASN H H 1 8.09 . . 1 . . . . . . . . 407 1
37 . 1 1 6 6 ASN HA H 1 4.72 . . 1 . . . . . . . . 407 1
38 . 1 1 6 6 ASN HB2 H 1 2.87 . . 1 . . . . . . . . 407 1
39 . 1 1 6 6 ASN HB3 H 1 2.87 . . 1 . . . . . . . . 407 1
40 . 1 1 6 6 ASN HD21 H 1 6.55 . . 2 . . . . . . . . 407 1
41 . 1 1 6 6 ASN HD22 H 1 7.27 . . 2 . . . . . . . . 407 1
42 . 1 1 7 7 GLN H H 1 8.57 . . 1 . . . . . . . . 407 1
43 . 1 1 7 7 GLN HA H 1 4.08 . . 1 . . . . . . . . 407 1
44 . 1 1 7 7 GLN HB2 H 1 2.12 . . 1 . . . . . . . . 407 1
45 . 1 1 7 7 GLN HB3 H 1 2.12 . . 1 . . . . . . . . 407 1
46 . 1 1 7 7 GLN HG2 H 1 2.37 . . 1 . . . . . . . . 407 1
47 . 1 1 7 7 GLN HG3 H 1 2.37 . . 1 . . . . . . . . 407 1
48 . 1 1 8 8 TRP H H 1 8.06 . . 1 . . . . . . . . 407 1
49 . 1 1 8 8 TRP HA H 1 4.46 . . 1 . . . . . . . . 407 1
50 . 1 1 8 8 TRP HB2 H 1 3.38 . . 2 . . . . . . . . 407 1
51 . 1 1 8 8 TRP HB3 H 1 3.44 . . 2 . . . . . . . . 407 1
52 . 1 1 8 8 TRP HD1 H 1 7.22 . . 1 . . . . . . . . 407 1
53 . 1 1 8 8 TRP HE1 H 1 9.63 . . 1 . . . . . . . . 407 1
54 . 1 1 8 8 TRP HE3 H 1 7.57 . . 1 . . . . . . . . 407 1
55 . 1 1 8 8 TRP HZ2 H 1 7.36 . . 1 . . . . . . . . 407 1
56 . 1 1 8 8 TRP HZ3 H 1 7.11 . . 1 . . . . . . . . 407 1
57 . 1 1 8 8 TRP HH2 H 1 7.16 . . 1 . . . . . . . . 407 1
58 . 1 1 9 9 ALA H H 1 7.97 . . 1 . . . . . . . . 407 1
59 . 1 1 9 9 ALA HA H 1 4.1 . . 1 . . . . . . . . 407 1
60 . 1 1 9 9 ALA HB1 H 1 1.46 . . 1 . . . . . . . . 407 1
61 . 1 1 9 9 ALA HB2 H 1 1.46 . . 1 . . . . . . . . 407 1
62 . 1 1 9 9 ALA HB3 H 1 1.46 . . 1 . . . . . . . . 407 1
63 . 1 1 10 10 VAL H H 1 7.86 . . 1 . . . . . . . . 407 1
64 . 1 1 10 10 VAL HA H 1 3.74 . . 1 . . . . . . . . 407 1
65 . 1 1 10 10 VAL HB H 1 2.06 . . 1 . . . . . . . . 407 1
66 . 1 1 10 10 VAL HG11 H 1 .97 . . 1 . . . . . . . . 407 1
67 . 1 1 10 10 VAL HG12 H 1 .97 . . 1 . . . . . . . . 407 1
68 . 1 1 10 10 VAL HG13 H 1 .97 . . 1 . . . . . . . . 407 1
69 . 1 1 10 10 VAL HG21 H 1 1.06 . . 1 . . . . . . . . 407 1
70 . 1 1 10 10 VAL HG22 H 1 1.06 . . 1 . . . . . . . . 407 1
71 . 1 1 10 10 VAL HG23 H 1 1.06 . . 1 . . . . . . . . 407 1
72 . 1 1 11 11 GLY H H 1 8.13 . . 1 . . . . . . . . 407 1
73 . 1 1 11 11 GLY HA2 H 1 3.74 . . 1 . . . . . . . . 407 1
74 . 1 1 11 11 GLY HA3 H 1 3.74 . . 1 . . . . . . . . 407 1
75 . 1 1 12 12 HIS H H 1 7.78 . . 1 . . . . . . . . 407 1
76 . 1 1 12 12 HIS HA H 1 4.43 . . 1 . . . . . . . . 407 1
77 . 1 1 12 12 HIS HB2 H 1 2.93 . . 2 . . . . . . . . 407 1
78 . 1 1 12 12 HIS HB3 H 1 3.2 . . 2 . . . . . . . . 407 1
79 . 1 1 12 12 HIS HD2 H 1 7.14 . . 1 . . . . . . . . 407 1
80 . 1 1 12 12 HIS HE1 H 1 7.58 . . 1 . . . . . . . . 407 1
81 . 1 1 13 13 LEU H H 1 8.03 . . 1 . . . . . . . . 407 1
82 . 1 1 13 13 LEU HA H 1 4.29 . . 1 . . . . . . . . 407 1
83 . 1 1 13 13 LEU HB2 H 1 1.66 . . 2 . . . . . . . . 407 1
84 . 1 1 13 13 LEU HB3 H 1 1.81 . . 2 . . . . . . . . 407 1
85 . 1 1 13 13 LEU HG H 1 1.74 . . 1 . . . . . . . . 407 1
86 . 1 1 13 13 LEU HD11 H 1 .92 . . 1 . . . . . . . . 407 1
87 . 1 1 13 13 LEU HD12 H 1 .92 . . 1 . . . . . . . . 407 1
88 . 1 1 13 13 LEU HD13 H 1 .92 . . 1 . . . . . . . . 407 1
89 . 1 1 13 13 LEU HD21 H 1 .92 . . 1 . . . . . . . . 407 1
90 . 1 1 13 13 LEU HD22 H 1 .92 . . 1 . . . . . . . . 407 1
91 . 1 1 13 13 LEU HD23 H 1 .92 . . 1 . . . . . . . . 407 1
92 . 1 1 14 14 MET H H 1 7.91 . . 1 . . . . . . . . 407 1
93 . 1 1 14 14 MET HA H 1 4.43 . . 1 . . . . . . . . 407 1
94 . 1 1 14 14 MET HB2 H 1 2 . . 2 . . . . . . . . 407 1
95 . 1 1 14 14 MET HB3 H 1 2.1 . . 2 . . . . . . . . 407 1
96 . 1 1 14 14 MET HG2 H 1 2.6 . . 1 . . . . . . . . 407 1
97 . 1 1 14 14 MET HG3 H 1 2.6 . . 1 . . . . . . . . 407 1
98 . 1 1 14 14 MET HE1 H 1 2.09 . . 1 . . . . . . . . 407 1
99 . 1 1 14 14 MET HE2 H 1 2.09 . . 1 . . . . . . . . 407 1
100 . 1 1 14 14 MET HE3 H 1 2.09 . . 1 . . . . . . . . 407 1
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