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 181
_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 . 181 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 18 18 PHE HD1 H 1 6.4 . . 1 . . . . . . . . 181 1
2 . 1 1 18 18 PHE HD2 H 1 6.4 . . 1 . . . . . . . . 181 1
3 . 1 1 18 18 PHE HE1 H 1 5.75 . . 3 . . . . . . . . 181 1
4 . 1 1 18 18 PHE HE2 H 1 5.79 . . 3 . . . . . . . . 181 1
5 . 1 1 18 18 PHE HZ H 1 6.54 . . 1 . . . . . . . . 181 1
6 . 1 1 27 27 HIS HD2 H 1 6.85 . . 1 . . . . . . . . 181 1
7 . 1 1 27 27 HIS HE1 H 1 7.64 . . 1 . . . . . . . . 181 1
8 . 1 1 29 29 PHE HD1 H 1 6.34 . . 1 . . . . . . . . 181 1
9 . 1 1 29 29 PHE HD2 H 1 6.34 . . 1 . . . . . . . . 181 1
10 . 1 1 29 29 PHE HE1 H 1 5.92 . . 1 . . . . . . . . 181 1
11 . 1 1 29 29 PHE HE2 H 1 5.92 . . 1 . . . . . . . . 181 1
12 . 1 1 29 29 PHE HZ H 1 5.54 . . 1 . . . . . . . . 181 1
13 . 1 1 30 30 PHE HD1 H 1 6.74 . . 1 . . . . . . . . 181 1
14 . 1 1 30 30 PHE HD2 H 1 6.74 . . 1 . . . . . . . . 181 1
15 . 1 1 30 30 PHE HE1 H 1 6.12 . . 1 . . . . . . . . 181 1
16 . 1 1 30 30 PHE HE2 H 1 6.12 . . 1 . . . . . . . . 181 1
17 . 1 1 30 30 PHE HZ H 1 6.92 . . 1 . . . . . . . . 181 1
18 . 1 1 33 33 VAL HA H 1 2.93 . . 1 . . . . . . . . 181 1
19 . 1 1 33 33 VAL HB H 1 1.5 . . 1 . . . . . . . . 181 1
20 . 1 1 33 33 VAL HG11 H 1 .43 . . 1 . . . . . . . . 181 1
21 . 1 1 33 33 VAL HG12 H 1 .43 . . 1 . . . . . . . . 181 1
22 . 1 1 33 33 VAL HG13 H 1 .43 . . 1 . . . . . . . . 181 1
23 . 1 1 33 33 VAL HG21 H 1 -.41 . . 1 . . . . . . . . 181 1
24 . 1 1 33 33 VAL HG22 H 1 -.41 . . 1 . . . . . . . . 181 1
25 . 1 1 33 33 VAL HG23 H 1 -.41 . . 1 . . . . . . . . 181 1
26 . 1 1 44 44 PHE HD1 H 1 6.9 . . 1 . . . . . . . . 181 1
27 . 1 1 44 44 PHE HD2 H 1 6.9 . . 1 . . . . . . . . 181 1
28 . 1 1 44 44 PHE HE1 H 1 6.01 . . 1 . . . . . . . . 181 1
29 . 1 1 44 44 PHE HE2 H 1 6.01 . . 1 . . . . . . . . 181 1
30 . 1 1 44 44 PHE HZ H 1 6.08 . . 1 . . . . . . . . 181 1
31 . 1 1 46 46 PHE HD1 H 1 6.84 . . 1 . . . . . . . . 181 1
32 . 1 1 46 46 PHE HD2 H 1 6.84 . . 1 . . . . . . . . 181 1
33 . 1 1 46 46 PHE HE1 H 1 6.34 . . 1 . . . . . . . . 181 1
34 . 1 1 46 46 PHE HE2 H 1 6.34 . . 1 . . . . . . . . 181 1
35 . 1 1 46 46 PHE HZ H 1 6.58 . . 1 . . . . . . . . 181 1
36 . 1 1 63 63 HIS HD2 H 1 7.18 . . 1 . . . . . . . . 181 1
37 . 1 1 63 63 HIS HE1 H 1 5.42 . . 1 . . . . . . . . 181 1
38 . 1 1 67 67 VAL H H 1 7.56 . . 1 . . . . . . . . 181 1
39 . 1 1 67 67 VAL HA H 1 3.61 . . 1 . . . . . . . . 181 1
40 . 1 1 67 67 VAL HB H 1 1.2 . . 1 . . . . . . . . 181 1
41 . 1 1 68 68 PHE HD1 H 1 6.54 . . 1 . . . . . . . . 181 1
42 . 1 1 68 68 PHE HD2 H 1 6.54 . . 1 . . . . . . . . 181 1
43 . 1 1 68 68 PHE HE1 H 1 5.64 . . 1 . . . . . . . . 181 1
44 . 1 1 68 68 PHE HE2 H 1 5.64 . . 1 . . . . . . . . 181 1
45 . 1 1 70 70 LEU HG H 1 2.3 . . 1 . . . . . . . . 181 1
46 . 1 1 70 70 LEU HD11 H 1 1.37 . . 1 . . . . . . . . 181 1
47 . 1 1 70 70 LEU HD12 H 1 1.37 . . 1 . . . . . . . . 181 1
48 . 1 1 70 70 LEU HD13 H 1 1.37 . . 1 . . . . . . . . 181 1
49 . 1 1 70 70 LEU HD21 H 1 1.59 . . 1 . . . . . . . . 181 1
50 . 1 1 70 70 LEU HD22 H 1 1.59 . . 1 . . . . . . . . 181 1
51 . 1 1 70 70 LEU HD23 H 1 1.59 . . 1 . . . . . . . . 181 1
52 . 1 1 93 93 LEU HG H 1 1.43 . . 1 . . . . . . . . 181 1
53 . 1 1 93 93 LEU HD11 H 1 .41 . . 1 . . . . . . . . 181 1
54 . 1 1 93 93 LEU HD12 H 1 .41 . . 1 . . . . . . . . 181 1
55 . 1 1 93 93 LEU HD13 H 1 .41 . . 1 . . . . . . . . 181 1
56 . 1 1 93 93 LEU HD21 H 1 .61 . . 1 . . . . . . . . 181 1
57 . 1 1 93 93 LEU HD22 H 1 .61 . . 1 . . . . . . . . 181 1
58 . 1 1 93 93 LEU HD23 H 1 .61 . . 1 . . . . . . . . 181 1
59 . 1 1 96 96 VAL HA H 1 3.29 . . 1 . . . . . . . . 181 1
60 . 1 1 96 96 VAL HB H 1 1.01 . . 1 . . . . . . . . 181 1
61 . 1 1 96 96 VAL HG11 H 1 .05 . . 1 . . . . . . . . 181 1
62 . 1 1 96 96 VAL HG12 H 1 .05 . . 1 . . . . . . . . 181 1
63 . 1 1 96 96 VAL HG13 H 1 .05 . . 1 . . . . . . . . 181 1
64 . 1 1 96 96 VAL HG21 H 1 .86 . . 1 . . . . . . . . 181 1
65 . 1 1 96 96 VAL HG22 H 1 .86 . . 1 . . . . . . . . 181 1
66 . 1 1 96 96 VAL HG23 H 1 .86 . . 1 . . . . . . . . 181 1
67 . 1 1 97 97 HIS HD2 H 1 .53 . . 1 . . . . . . . . 181 1
68 . 1 1 97 97 HIS HE1 H 1 1.44 . . 1 . . . . . . . . 181 1
69 . 1 1 102 102 VAL HB H 1 1.19 . . 1 . . . . . . . . 181 1
70 . 1 1 102 102 VAL HG11 H 1 .5 . . 1 . . . . . . . . 181 1
71 . 1 1 102 102 VAL HG12 H 1 .5 . . 1 . . . . . . . . 181 1
72 . 1 1 102 102 VAL HG13 H 1 .5 . . 1 . . . . . . . . 181 1
73 . 1 1 102 102 VAL HG21 H 1 .55 . . 1 . . . . . . . . 181 1
74 . 1 1 102 102 VAL HG22 H 1 .55 . . 1 . . . . . . . . 181 1
75 . 1 1 102 102 VAL HG23 H 1 .55 . . 1 . . . . . . . . 181 1
76 . 1 1 106 106 HIS HB2 H 1 4.13 . . 1 . . . . . . . . 181 1
77 . 1 1 106 106 HIS HB3 H 1 4.13 . . 1 . . . . . . . . 181 1
78 . 1 1 106 106 HIS HD2 H 1 7.14 . . 1 . . . . . . . . 181 1
79 . 1 1 106 106 HIS HE1 H 1 7.95 . . 1 . . . . . . . . 181 1
80 . 1 1 107 107 PHE HD1 H 1 8.14 . . 1 . . . . . . . . 181 1
81 . 1 1 107 107 PHE HD2 H 1 8.14 . . 1 . . . . . . . . 181 1
82 . 1 1 107 107 PHE HE1 H 1 7.09 . . 1 . . . . . . . . 181 1
83 . 1 1 107 107 PHE HE2 H 1 7.09 . . 1 . . . . . . . . 181 1
84 . 1 1 107 107 PHE HZ H 1 6.46 . . 1 . . . . . . . . 181 1
85 . 1 1 110 110 VAL HA H 1 3.18 . . 1 . . . . . . . . 181 1
86 . 1 1 110 110 VAL HB H 1 2.51 . . 1 . . . . . . . . 181 1
87 . 1 1 110 110 VAL HG11 H 1 .22 . . 1 . . . . . . . . 181 1
88 . 1 1 110 110 VAL HG12 H 1 .22 . . 1 . . . . . . . . 181 1
89 . 1 1 110 110 VAL HG13 H 1 .22 . . 1 . . . . . . . . 181 1
90 . 1 1 110 110 VAL HG21 H 1 .39 . . 1 . . . . . . . . 181 1
91 . 1 1 110 110 VAL HG22 H 1 .39 . . 1 . . . . . . . . 181 1
92 . 1 1 110 110 VAL HG23 H 1 .39 . . 1 . . . . . . . . 181 1
93 . 1 1 126 126 TRP HE3 H 1 7.38 . . 1 . . . . . . . . 181 1
94 . 1 1 126 126 TRP HZ2 H 1 7.37 . . 1 . . . . . . . . 181 1
95 . 1 1 126 126 TRP HZ3 H 1 6.99 . . 1 . . . . . . . . 181 1
96 . 1 1 126 126 TRP HH2 H 1 7.23 . . 1 . . . . . . . . 181 1
97 . 1 1 134 134 TRP HD1 H 1 7.38 . . 1 . . . . . . . . 181 1
98 . 1 1 134 134 TRP HE1 H 1 10.24 . . 1 . . . . . . . . 181 1
99 . 1 1 134 134 TRP HE3 H 1 7.44 . . 1 . . . . . . . . 181 1
100 . 1 1 134 134 TRP HZ2 H 1 7.69 . . 1 . . . . . . . . 181 1
101 . 1 1 134 134 TRP HZ3 H 1 6.91 . . 1 . . . . . . . . 181 1
102 . 1 1 134 134 TRP HH2 H 1 7.18 . . 1 . . . . . . . . 181 1
103 . 1 1 145 145 ILE HA H 1 3.04 . . 1 . . . . . . . . 181 1
104 . 1 1 145 145 ILE HB H 1 1.42 . . 1 . . . . . . . . 181 1
105 . 1 1 145 145 ILE HG12 H 1 .47 . . 2 . . . . . . . . 181 1
106 . 1 1 145 145 ILE HG13 H 1 1.5 . . 2 . . . . . . . . 181 1
107 . 1 1 145 145 ILE HG21 H 1 -.33 . . 1 . . . . . . . . 181 1
108 . 1 1 145 145 ILE HG22 H 1 -.33 . . 1 . . . . . . . . 181 1
109 . 1 1 145 145 ILE HG23 H 1 -.33 . . 1 . . . . . . . . 181 1
110 . 1 1 145 145 ILE HD11 H 1 .27 . . 1 . . . . . . . . 181 1
111 . 1 1 145 145 ILE HD12 H 1 .27 . . 1 . . . . . . . . 181 1
112 . 1 1 145 145 ILE HD13 H 1 .27 . . 1 . . . . . . . . 181 1
113 . 1 1 149 149 MET HE1 H 1 1.59 . . 1 . . . . . . . . 181 1
114 . 1 1 149 149 MET HE2 H 1 1.59 . . 1 . . . . . . . . 181 1
115 . 1 1 149 149 MET HE3 H 1 1.59 . . 1 . . . . . . . . 181 1
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