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 1442
_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 . 1442 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 4.25 . . 2 . . . . . . . . 1442 1
2 . 1 1 1 1 GLY HA3 H 1 4.16 . . 2 . . . . . . . . 1442 1
3 . 1 1 2 2 ILE H H 1 8.55 . . 1 . . . . . . . . 1442 1
4 . 1 1 2 2 ILE HA H 1 4.04 . . 1 . . . . . . . . 1442 1
5 . 1 1 2 2 ILE HB H 1 1.8 . . 1 . . . . . . . . 1442 1
6 . 1 1 2 2 ILE HG12 H 1 1.32 . . 1 . . . . . . . . 1442 1
7 . 1 1 2 2 ILE HG13 H 1 1.32 . . 1 . . . . . . . . 1442 1
8 . 1 1 2 2 ILE HG21 H 1 1.05 . . 1 . . . . . . . . 1442 1
9 . 1 1 2 2 ILE HG22 H 1 1.05 . . 1 . . . . . . . . 1442 1
10 . 1 1 2 2 ILE HG23 H 1 1.05 . . 1 . . . . . . . . 1442 1
11 . 1 1 2 2 ILE HD11 H 1 .72 . . 1 . . . . . . . . 1442 1
12 . 1 1 2 2 ILE HD12 H 1 .72 . . 1 . . . . . . . . 1442 1
13 . 1 1 2 2 ILE HD13 H 1 .72 . . 1 . . . . . . . . 1442 1
14 . 1 1 3 3 VAL H H 1 8.18 . . 1 . . . . . . . . 1442 1
15 . 1 1 3 3 VAL HA H 1 3.68 . . 1 . . . . . . . . 1442 1
16 . 1 1 3 3 VAL HB H 1 2.1 . . 1 . . . . . . . . 1442 1
17 . 1 1 3 3 VAL HG11 H 1 1.06 . . 1 . . . . . . . . 1442 1
18 . 1 1 3 3 VAL HG12 H 1 1.06 . . 1 . . . . . . . . 1442 1
19 . 1 1 3 3 VAL HG13 H 1 1.06 . . 1 . . . . . . . . 1442 1
20 . 1 1 3 3 VAL HG21 H 1 1.06 . . 1 . . . . . . . . 1442 1
21 . 1 1 3 3 VAL HG22 H 1 1.06 . . 1 . . . . . . . . 1442 1
22 . 1 1 3 3 VAL HG23 H 1 1.06 . . 1 . . . . . . . . 1442 1
23 . 1 1 4 4 GLU H H 1 8.27 . . 1 . . . . . . . . 1442 1
24 . 1 1 4 4 GLU HA H 1 4.32 . . 1 . . . . . . . . 1442 1
25 . 1 1 4 4 GLU HB2 H 1 2.14 . . 2 . . . . . . . . 1442 1
26 . 1 1 4 4 GLU HB3 H 1 2.19 . . 2 . . . . . . . . 1442 1
27 . 1 1 4 4 GLU HG2 H 1 2.56 . . 1 . . . . . . . . 1442 1
28 . 1 1 4 4 GLU HG3 H 1 2.56 . . 1 . . . . . . . . 1442 1
29 . 1 1 5 5 GLN H H 1 8.26 . . 1 . . . . . . . . 1442 1
30 . 1 1 5 5 GLN HA H 1 4.14 . . 1 . . . . . . . . 1442 1
31 . 1 1 5 5 GLN HB2 H 1 2.32 . . 1 . . . . . . . . 1442 1
32 . 1 1 5 5 GLN HB3 H 1 2.32 . . 1 . . . . . . . . 1442 1
33 . 1 1 5 5 GLN HG2 H 1 2.48 . . 1 . . . . . . . . 1442 1
34 . 1 1 5 5 GLN HG3 H 1 2.48 . . 1 . . . . . . . . 1442 1
35 . 1 1 5 5 GLN HE21 H 1 6.68 . . 2 . . . . . . . . 1442 1
36 . 1 1 5 5 GLN HE22 H 1 7.57 . . 2 . . . . . . . . 1442 1
37 . 1 1 6 6 CYS H H 1 8.78 . . 1 . . . . . . . . 1442 1
38 . 1 1 6 6 CYS HA H 1 4.92 . . 1 . . . . . . . . 1442 1
39 . 1 1 7 7 CYS HA H 1 5.21 . . 1 . . . . . . . . 1442 1
40 . 1 1 7 7 CYS HB2 H 1 3.15 . . 1 . . . . . . . . 1442 1
41 . 1 1 7 7 CYS HB3 H 1 3.15 . . 1 . . . . . . . . 1442 1
42 . 1 1 8 8 ALA H H 1 8.17 . . 1 . . . . . . . . 1442 1
43 . 1 1 8 8 ALA HA H 1 4.4 . . 1 . . . . . . . . 1442 1
44 . 1 1 9 9 SER H H 1 8.6 . . 1 . . . . . . . . 1442 1
45 . 1 1 9 9 SER HA H 1 4.78 . . 1 . . . . . . . . 1442 1
46 . 1 1 9 9 SER HB2 H 1 4.08 . . 2 . . . . . . . . 1442 1
47 . 1 1 9 9 SER HB3 H 1 4.22 . . 2 . . . . . . . . 1442 1
48 . 1 1 10 10 VAL H H 1 7.95 . . 1 . . . . . . . . 1442 1
49 . 1 1 10 10 VAL HA H 1 4.61 . . 1 . . . . . . . . 1442 1
50 . 1 1 10 10 VAL HB H 1 1.96 . . 1 . . . . . . . . 1442 1
51 . 1 1 10 10 VAL HG11 H 1 .81 . . 1 . . . . . . . . 1442 1
52 . 1 1 10 10 VAL HG12 H 1 .81 . . 1 . . . . . . . . 1442 1
53 . 1 1 10 10 VAL HG13 H 1 .81 . . 1 . . . . . . . . 1442 1
54 . 1 1 10 10 VAL HG21 H 1 .81 . . 1 . . . . . . . . 1442 1
55 . 1 1 10 10 VAL HG22 H 1 .81 . . 1 . . . . . . . . 1442 1
56 . 1 1 10 10 VAL HG23 H 1 .81 . . 1 . . . . . . . . 1442 1
57 . 1 1 11 11 CYS H H 1 7.4 . . 1 . . . . . . . . 1442 1
58 . 1 1 11 11 CYS HA H 1 5.03 . . 1 . . . . . . . . 1442 1
59 . 1 1 11 11 CYS HB2 H 1 3.08 . . 1 . . . . . . . . 1442 1
60 . 1 1 11 11 CYS HB3 H 1 3.08 . . 1 . . . . . . . . 1442 1
61 . 1 1 12 12 SER H H 1 8.6 . . 1 . . . . . . . . 1442 1
62 . 1 1 12 12 SER HA H 1 4.72 . . 1 . . . . . . . . 1442 1
63 . 1 1 12 12 SER HB2 H 1 3.97 . . 2 . . . . . . . . 1442 1
64 . 1 1 12 12 SER HB3 H 1 4.36 . . 2 . . . . . . . . 1442 1
65 . 1 1 13 13 LEU H H 1 8.15 . . 1 . . . . . . . . 1442 1
66 . 1 1 13 13 LEU HA H 1 4.13 . . 1 . . . . . . . . 1442 1
67 . 1 1 13 13 LEU HB2 H 1 2.14 . . 1 . . . . . . . . 1442 1
68 . 1 1 13 13 LEU HB3 H 1 2.14 . . 1 . . . . . . . . 1442 1
69 . 1 1 14 14 TYR H H 1 8.42 . . 1 . . . . . . . . 1442 1
70 . 1 1 14 14 TYR HA H 1 4.32 . . 1 . . . . . . . . 1442 1
71 . 1 1 14 14 TYR HB2 H 1 3.09 . . 1 . . . . . . . . 1442 1
72 . 1 1 14 14 TYR HB3 H 1 3.09 . . 1 . . . . . . . . 1442 1
73 . 1 1 14 14 TYR HD1 H 1 7.16 . . 1 . . . . . . . . 1442 1
74 . 1 1 14 14 TYR HD2 H 1 7.16 . . 1 . . . . . . . . 1442 1
75 . 1 1 14 14 TYR HE1 H 1 6.87 . . 1 . . . . . . . . 1442 1
76 . 1 1 14 14 TYR HE2 H 1 6.87 . . 1 . . . . . . . . 1442 1
77 . 1 1 15 15 GLN H H 1 7.62 . . 1 . . . . . . . . 1442 1
78 . 1 1 15 15 GLN HA H 1 4.04 . . 1 . . . . . . . . 1442 1
79 . 1 1 15 15 GLN HB2 H 1 2.09 . . 1 . . . . . . . . 1442 1
80 . 1 1 15 15 GLN HB3 H 1 2.09 . . 1 . . . . . . . . 1442 1
81 . 1 1 15 15 GLN HG2 H 1 2.46 . . 2 . . . . . . . . 1442 1
82 . 1 1 15 15 GLN HG3 H 1 2.34 . . 2 . . . . . . . . 1442 1
83 . 1 1 15 15 GLN HE21 H 1 7.03 . . 2 . . . . . . . . 1442 1
84 . 1 1 15 15 GLN HE22 H 1 7.58 . . 2 . . . . . . . . 1442 1
85 . 1 1 16 16 LEU H H 1 8.09 . . 1 . . . . . . . . 1442 1
86 . 1 1 16 16 LEU HA H 1 4.32 . . 1 . . . . . . . . 1442 1
87 . 1 1 16 16 LEU HB2 H 1 1.76 . . 1 . . . . . . . . 1442 1
88 . 1 1 16 16 LEU HB3 H 1 1.76 . . 1 . . . . . . . . 1442 1
89 . 1 1 16 16 LEU HG H 1 1.87 . . 1 . . . . . . . . 1442 1
90 . 1 1 16 16 LEU HD11 H 1 .98 . . 1 . . . . . . . . 1442 1
91 . 1 1 16 16 LEU HD12 H 1 .98 . . 1 . . . . . . . . 1442 1
92 . 1 1 16 16 LEU HD13 H 1 .98 . . 1 . . . . . . . . 1442 1
93 . 1 1 16 16 LEU HD21 H 1 .98 . . 1 . . . . . . . . 1442 1
94 . 1 1 16 16 LEU HD22 H 1 .98 . . 1 . . . . . . . . 1442 1
95 . 1 1 16 16 LEU HD23 H 1 .98 . . 1 . . . . . . . . 1442 1
96 . 1 1 17 17 GLU H H 1 8.27 . . 1 . . . . . . . . 1442 1
97 . 1 1 17 17 GLU HA H 1 4.32 . . 1 . . . . . . . . 1442 1
98 . 1 1 17 17 GLU HB2 H 1 2.16 . . 1 . . . . . . . . 1442 1
99 . 1 1 17 17 GLU HB3 H 1 2.16 . . 1 . . . . . . . . 1442 1
100 . 1 1 17 17 GLU HG2 H 1 2.22 . . 1 . . . . . . . . 1442 1
101 . 1 1 17 17 GLU HG3 H 1 2.22 . . 1 . . . . . . . . 1442 1
102 . 1 1 18 18 ASN H H 1 7.54 . . 1 . . . . . . . . 1442 1
103 . 1 1 18 18 ASN HA H 1 4.5 . . 1 . . . . . . . . 1442 1
104 . 1 1 18 18 ASN HB2 H 1 2.56 . . 2 . . . . . . . . 1442 1
105 . 1 1 18 18 ASN HB3 H 1 2.65 . . 2 . . . . . . . . 1442 1
106 . 1 1 18 18 ASN HD21 H 1 6.41 . . 2 . . . . . . . . 1442 1
107 . 1 1 18 18 ASN HD22 H 1 7.25 . . 2 . . . . . . . . 1442 1
108 . 1 1 19 19 TYR H H 1 8.07 . . 1 . . . . . . . . 1442 1
109 . 1 1 19 19 TYR HA H 1 4.06 . . 1 . . . . . . . . 1442 1
110 . 1 1 19 19 TYR HB2 H 1 3.48 . . 2 . . . . . . . . 1442 1
111 . 1 1 19 19 TYR HB3 H 1 3.16 . . 2 . . . . . . . . 1442 1
112 . 1 1 19 19 TYR HD1 H 1 7.4 . . 1 . . . . . . . . 1442 1
113 . 1 1 19 19 TYR HD2 H 1 7.4 . . 1 . . . . . . . . 1442 1
114 . 1 1 19 19 TYR HE1 H 1 6.87 . . 1 . . . . . . . . 1442 1
115 . 1 1 19 19 TYR HE2 H 1 6.87 . . 1 . . . . . . . . 1442 1
116 . 1 1 20 20 CYS H H 1 7.56 . . 1 . . . . . . . . 1442 1
117 . 1 1 20 20 CYS HA H 1 4.88 . . 1 . . . . . . . . 1442 1
118 . 1 1 20 20 CYS HB2 H 1 2.89 . . 2 . . . . . . . . 1442 1
119 . 1 1 20 20 CYS HB3 H 1 3.26 . . 2 . . . . . . . . 1442 1
120 . 1 1 21 21 ASN H H 1 8.12 . . 1 . . . . . . . . 1442 1
121 . 1 1 21 21 ASN HA H 1 4.83 . . 1 . . . . . . . . 1442 1
122 . 1 1 21 21 ASN HB2 H 1 2.89 . . 2 . . . . . . . . 1442 1
123 . 1 1 21 21 ASN HB3 H 1 2.99 . . 2 . . . . . . . . 1442 1
124 . 1 1 21 21 ASN HD21 H 1 6.98 . . 2 . . . . . . . . 1442 1
125 . 1 1 21 21 ASN HD22 H 1 7.54 . . 2 . . . . . . . . 1442 1
stop_
save_