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 44
_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 . 44 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 LEU HA H 1 4.03 . . 1 . . . . . . . . 44 1
2 . 1 1 1 1 LEU HB2 H 1 1.74 . . 1 . . . . . . . . 44 1
3 . 1 1 1 1 LEU HB3 H 1 1.74 . . 1 . . . . . . . . 44 1
4 . 1 1 1 1 LEU HG H 1 1.74 . . 1 . . . . . . . . 44 1
5 . 1 1 1 1 LEU HD11 H 1 .97 . . 2 . . . . . . . . 44 1
6 . 1 1 1 1 LEU HD12 H 1 .97 . . 2 . . . . . . . . 44 1
7 . 1 1 1 1 LEU HD13 H 1 .97 . . 2 . . . . . . . . 44 1
8 . 1 1 1 1 LEU HD21 H 1 .95 . . 2 . . . . . . . . 44 1
9 . 1 1 1 1 LEU HD22 H 1 .95 . . 2 . . . . . . . . 44 1
10 . 1 1 1 1 LEU HD23 H 1 .95 . . 2 . . . . . . . . 44 1
11 . 1 1 2 2 ALA H H 1 8.64 . . 1 . . . . . . . . 44 1
12 . 1 1 2 2 ALA HA H 1 4.4 . . 1 . . . . . . . . 44 1
13 . 1 1 2 2 ALA HB1 H 1 1.42 . . 1 . . . . . . . . 44 1
14 . 1 1 2 2 ALA HB2 H 1 1.42 . . 1 . . . . . . . . 44 1
15 . 1 1 2 2 ALA HB3 H 1 1.42 . . 1 . . . . . . . . 44 1
16 . 1 1 3 3 ALA H H 1 8.4 . . 1 . . . . . . . . 44 1
17 . 1 1 3 3 ALA HA H 1 4.36 . . 1 . . . . . . . . 44 1
18 . 1 1 3 3 ALA HB1 H 1 1.4 . . 1 . . . . . . . . 44 1
19 . 1 1 3 3 ALA HB2 H 1 1.4 . . 1 . . . . . . . . 44 1
20 . 1 1 3 3 ALA HB3 H 1 1.4 . . 1 . . . . . . . . 44 1
21 . 1 1 4 4 VAL H H 1 8.13 . . 1 . . . . . . . . 44 1
22 . 1 1 4 4 VAL HA H 1 4.25 . . 1 . . . . . . . . 44 1
23 . 1 1 4 4 VAL HB H 1 2.04 . . 1 . . . . . . . . 44 1
24 . 1 1 4 4 VAL HG11 H 1 .86 . . 2 . . . . . . . . 44 1
25 . 1 1 4 4 VAL HG12 H 1 .86 . . 2 . . . . . . . . 44 1
26 . 1 1 4 4 VAL HG13 H 1 .86 . . 2 . . . . . . . . 44 1
27 . 1 1 4 4 VAL HG21 H 1 .9 . . 2 . . . . . . . . 44 1
28 . 1 1 4 4 VAL HG22 H 1 .9 . . 2 . . . . . . . . 44 1
29 . 1 1 4 4 VAL HG23 H 1 .9 . . 2 . . . . . . . . 44 1
30 . 1 1 5 5 SER H H 1 8.2 . . 1 . . . . . . . . 44 1
31 . 1 1 5 5 SER HA H 1 4.54 . . 1 . . . . . . . . 44 1
32 . 1 1 5 5 SER HB2 H 1 3.83 . . 2 . . . . . . . . 44 1
33 . 1 1 5 5 SER HB3 H 1 3.98 . . 2 . . . . . . . . 44 1
34 . 1 1 6 6 VAL H H 1 8.25 . . 1 . . . . . . . . 44 1
35 . 1 1 6 6 VAL HA H 1 4.27 . . 1 . . . . . . . . 44 1
36 . 1 1 6 6 VAL HB H 1 1.94 . . 1 . . . . . . . . 44 1
37 . 1 1 6 6 VAL HG11 H 1 .88 . . 2 . . . . . . . . 44 1
38 . 1 1 6 6 VAL HG12 H 1 .88 . . 2 . . . . . . . . 44 1
39 . 1 1 6 6 VAL HG13 H 1 .88 . . 2 . . . . . . . . 44 1
40 . 1 1 6 6 VAL HG21 H 1 .77 . . 2 . . . . . . . . 44 1
41 . 1 1 6 6 VAL HG22 H 1 .77 . . 2 . . . . . . . . 44 1
42 . 1 1 6 6 VAL HG23 H 1 .77 . . 2 . . . . . . . . 44 1
43 . 1 1 7 7 ASP H H 1 8.62 . . 1 . . . . . . . . 44 1
44 . 1 1 7 7 ASP HA H 1 4.77 . . 1 . . . . . . . . 44 1
45 . 1 1 7 7 ASP HB2 H 1 2.7 . . 2 . . . . . . . . 44 1
46 . 1 1 7 7 ASP HB3 H 1 2.98 . . 2 . . . . . . . . 44 1
47 . 1 1 8 8 CYS H H 1 8.87 . . 1 . . . . . . . . 44 1
48 . 1 1 8 8 CYS HA H 1 5.27 . . 1 . . . . . . . . 44 1
49 . 1 1 8 8 CYS HB2 H 1 2.57 . . 2 . . . . . . . . 44 1
50 . 1 1 8 8 CYS HB3 H 1 3.36 . . 2 . . . . . . . . 44 1
51 . 1 1 9 9 SER H H 1 8.68 . . 1 . . . . . . . . 44 1
52 . 1 1 9 9 SER HA H 1 4.26 . . 1 . . . . . . . . 44 1
53 . 1 1 9 9 SER HB2 H 1 3.96 . . 2 . . . . . . . . 44 1
54 . 1 1 9 9 SER HB3 H 1 4.05 . . 2 . . . . . . . . 44 1
55 . 1 1 10 10 GLU H H 1 8.6 . . 1 . . . . . . . . 44 1
56 . 1 1 10 10 GLU HA H 1 4.3 . . 1 . . . . . . . . 44 1
57 . 1 1 10 10 GLU HB2 H 1 1.77 . . 2 . . . . . . . . 44 1
58 . 1 1 10 10 GLU HB3 H 1 2.04 . . 2 . . . . . . . . 44 1
59 . 1 1 10 10 GLU HG2 H 1 2.35 . . 1 . . . . . . . . 44 1
60 . 1 1 10 10 GLU HG3 H 1 2.35 . . 1 . . . . . . . . 44 1
61 . 1 1 11 11 TYR H H 1 7.53 . . 1 . . . . . . . . 44 1
62 . 1 1 11 11 TYR HA H 1 4.11 . . 1 . . . . . . . . 44 1
63 . 1 1 11 11 TYR HB2 H 1 2.83 . . 2 . . . . . . . . 44 1
64 . 1 1 11 11 TYR HB3 H 1 2.86 . . 2 . . . . . . . . 44 1
65 . 1 1 11 11 TYR HD1 H 1 7.15 . . 1 . . . . . . . . 44 1
66 . 1 1 11 11 TYR HD2 H 1 7.15 . . 1 . . . . . . . . 44 1
67 . 1 1 11 11 TYR HE1 H 1 7.03 . . 1 . . . . . . . . 44 1
68 . 1 1 11 11 TYR HE2 H 1 7.03 . . 1 . . . . . . . . 44 1
69 . 1 1 12 12 PRO HA H 1 5.02 . . 1 . . . . . . . . 44 1
70 . 1 1 12 12 PRO HB2 H 1 2.41 . . 2 . . . . . . . . 44 1
71 . 1 1 12 12 PRO HB3 H 1 2.06 . . 2 . . . . . . . . 44 1
72 . 1 1 12 12 PRO HG2 H 1 1.85 . . 2 . . . . . . . . 44 1
73 . 1 1 12 12 PRO HG3 H 1 1.94 . . 2 . . . . . . . . 44 1
74 . 1 1 12 12 PRO HD2 H 1 3.52 . . 2 . . . . . . . . 44 1
75 . 1 1 12 12 PRO HD3 H 1 3.67 . . 2 . . . . . . . . 44 1
76 . 1 1 13 13 LYS H H 1 8.89 . . 1 . . . . . . . . 44 1
77 . 1 1 13 13 LYS HA H 1 4.82 . . 1 . . . . . . . . 44 1
78 . 1 1 13 13 LYS HB2 H 1 1.54 . . 2 . . . . . . . . 44 1
79 . 1 1 13 13 LYS HB3 H 1 1.87 . . 2 . . . . . . . . 44 1
80 . 1 1 13 13 LYS HG2 H 1 1.16 . . 1 . . . . . . . . 44 1
81 . 1 1 13 13 LYS HG3 H 1 1.16 . . 1 . . . . . . . . 44 1
82 . 1 1 13 13 LYS HD2 H 1 1.43 . . 2 . . . . . . . . 44 1
83 . 1 1 13 13 LYS HD3 H 1 1.58 . . 2 . . . . . . . . 44 1
84 . 1 1 13 13 LYS HE2 H 1 2.46 . . 2 . . . . . . . . 44 1
85 . 1 1 13 13 LYS HE3 H 1 2.58 . . 2 . . . . . . . . 44 1
86 . 1 1 14 14 PRO HA H 1 4.33 . . 1 . . . . . . . . 44 1
87 . 1 1 14 14 PRO HB2 H 1 1.96 . . 2 . . . . . . . . 44 1
88 . 1 1 14 14 PRO HB3 H 1 2.3 . . 2 . . . . . . . . 44 1
89 . 1 1 14 14 PRO HG2 H 1 1.88 . . 2 . . . . . . . . 44 1
90 . 1 1 14 14 PRO HG3 H 1 2.04 . . 2 . . . . . . . . 44 1
91 . 1 1 14 14 PRO HD2 H 1 3.75 . . 1 . . . . . . . . 44 1
92 . 1 1 14 14 PRO HD3 H 1 3.75 . . 1 . . . . . . . . 44 1
93 . 1 1 15 15 ALA H H 1 7.7 . . 1 . . . . . . . . 44 1
94 . 1 1 15 15 ALA HA H 1 4.45 . . 1 . . . . . . . . 44 1
95 . 1 1 15 15 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 44 1
96 . 1 1 15 15 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 44 1
97 . 1 1 15 15 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 44 1
98 . 1 1 16 16 CYS H H 1 8.5 . . 1 . . . . . . . . 44 1
99 . 1 1 16 16 CYS HA H 1 5 . . 1 . . . . . . . . 44 1
100 . 1 1 16 16 CYS HB2 H 1 2.89 . . 2 . . . . . . . . 44 1
101 . 1 1 16 16 CYS HB3 H 1 3.3 . . 2 . . . . . . . . 44 1
102 . 1 1 17 17 THR H H 1 8.2 . . 1 . . . . . . . . 44 1
103 . 1 1 17 17 THR HA H 1 4.38 . . 1 . . . . . . . . 44 1
104 . 1 1 17 17 THR HB H 1 4.28 . . 1 . . . . . . . . 44 1
105 . 1 1 17 17 THR HG21 H 1 1.24 . . 1 . . . . . . . . 44 1
106 . 1 1 17 17 THR HG22 H 1 1.24 . . 1 . . . . . . . . 44 1
107 . 1 1 17 17 THR HG23 H 1 1.24 . . 1 . . . . . . . . 44 1
108 . 1 1 18 18 LEU H H 1 8.09 . . 1 . . . . . . . . 44 1
109 . 1 1 18 18 LEU HA H 1 4.23 . . 1 . . . . . . . . 44 1
110 . 1 1 18 18 LEU HB2 H 1 1.62 . . 1 . . . . . . . . 44 1
111 . 1 1 18 18 LEU HB3 H 1 1.62 . . 1 . . . . . . . . 44 1
112 . 1 1 18 18 LEU HG H 1 1.64 . . 1 . . . . . . . . 44 1
113 . 1 1 18 18 LEU HD11 H 1 .89 . . 2 . . . . . . . . 44 1
114 . 1 1 18 18 LEU HD12 H 1 .89 . . 2 . . . . . . . . 44 1
115 . 1 1 18 18 LEU HD13 H 1 .89 . . 2 . . . . . . . . 44 1
116 . 1 1 18 18 LEU HD21 H 1 .92 . . 2 . . . . . . . . 44 1
117 . 1 1 18 18 LEU HD22 H 1 .92 . . 2 . . . . . . . . 44 1
118 . 1 1 18 18 LEU HD23 H 1 .92 . . 2 . . . . . . . . 44 1
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save_