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 1445
_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 . 1445 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 ACE H1 H 1 2.04 . . 1 . . . . . . . . 1445 1
2 . 1 1 1 1 ACE H2 H 1 2.04 . . 1 . . . . . . . . 1445 1
3 . 1 1 1 1 ACE H3 H 1 2.04 . . 1 . . . . . . . . 1445 1
4 . 1 1 2 2 GLU H H 1 8.55 . . 1 . . . . . . . . 1445 1
5 . 1 1 2 2 GLU HA H 1 4.4 . . 1 . . . . . . . . 1445 1
6 . 1 1 2 2 GLU HB2 H 1 2.14 . . 2 . . . . . . . . 1445 1
7 . 1 1 2 2 GLU HB3 H 1 2.05 . . 2 . . . . . . . . 1445 1
8 . 1 1 2 2 GLU HG2 H 1 2.52 . . 1 . . . . . . . . 1445 1
9 . 1 1 2 2 GLU HG3 H 1 2.52 . . 1 . . . . . . . . 1445 1
10 . 1 1 3 3 THR H H 1 8.38 . . 1 . . . . . . . . 1445 1
11 . 1 1 3 3 THR HA H 1 4.41 . . 1 . . . . . . . . 1445 1
12 . 1 1 3 3 THR HB H 1 4.28 . . 1 . . . . . . . . 1445 1
13 . 1 1 3 3 THR HG21 H 1 1.23 . . 1 . . . . . . . . 1445 1
14 . 1 1 3 3 THR HG22 H 1 1.23 . . 1 . . . . . . . . 1445 1
15 . 1 1 3 3 THR HG23 H 1 1.23 . . 1 . . . . . . . . 1445 1
16 . 1 1 4 4 GLY H H 1 8.54 . . 1 . . . . . . . . 1445 1
17 . 1 1 4 4 GLY HA2 H 1 4.07 . . 1 . . . . . . . . 1445 1
18 . 1 1 4 4 GLY HA3 H 1 4.07 . . 1 . . . . . . . . 1445 1
19 . 1 1 5 5 THR H H 1 8.06 . . 1 . . . . . . . . 1445 1
20 . 1 1 5 5 THR HA H 1 4.31 . . 1 . . . . . . . . 1445 1
21 . 1 1 5 5 THR HB H 1 4.42 . . 1 . . . . . . . . 1445 1
22 . 1 1 5 5 THR HG21 H 1 1.26 . . 1 . . . . . . . . 1445 1
23 . 1 1 5 5 THR HG22 H 1 1.26 . . 1 . . . . . . . . 1445 1
24 . 1 1 5 5 THR HG23 H 1 1.26 . . 1 . . . . . . . . 1445 1
25 . 1 1 6 6 LYS H H 1 8.68 . . 1 . . . . . . . . 1445 1
26 . 1 1 6 6 LYS HA H 1 4.07 . . 1 . . . . . . . . 1445 1
27 . 1 1 6 6 LYS HB2 H 1 1.86 . . 1 . . . . . . . . 1445 1
28 . 1 1 6 6 LYS HB3 H 1 1.86 . . 1 . . . . . . . . 1445 1
29 . 1 1 6 6 LYS HG2 H 1 1.42 . . 1 . . . . . . . . 1445 1
30 . 1 1 6 6 LYS HG3 H 1 1.42 . . 1 . . . . . . . . 1445 1
31 . 1 1 6 6 LYS HD2 H 1 1.72 . . 1 . . . . . . . . 1445 1
32 . 1 1 6 6 LYS HD3 H 1 1.72 . . 1 . . . . . . . . 1445 1
33 . 1 1 6 6 LYS HE2 H 1 3 . . 1 . . . . . . . . 1445 1
34 . 1 1 6 6 LYS HE3 H 1 3 . . 1 . . . . . . . . 1445 1
35 . 1 1 6 6 LYS HZ1 H 1 7.62 . . 1 . . . . . . . . 1445 1
36 . 1 1 6 6 LYS HZ2 H 1 7.62 . . 1 . . . . . . . . 1445 1
37 . 1 1 6 6 LYS HZ3 H 1 7.62 . . 1 . . . . . . . . 1445 1
38 . 1 1 7 7 ALA H H 1 8.43 . . 1 . . . . . . . . 1445 1
39 . 1 1 7 7 ALA HA H 1 4.16 . . 1 . . . . . . . . 1445 1
40 . 1 1 7 7 ALA HB1 H 1 1.42 . . 1 . . . . . . . . 1445 1
41 . 1 1 7 7 ALA HB2 H 1 1.42 . . 1 . . . . . . . . 1445 1
42 . 1 1 7 7 ALA HB3 H 1 1.42 . . 1 . . . . . . . . 1445 1
43 . 1 1 8 8 GLU H H 1 8.08 . . 1 . . . . . . . . 1445 1
44 . 1 1 8 8 GLU HA H 1 4.19 . . 1 . . . . . . . . 1445 1
45 . 1 1 8 8 GLU HB2 H 1 2.18 . . 1 . . . . . . . . 1445 1
46 . 1 1 8 8 GLU HB3 H 1 2.18 . . 1 . . . . . . . . 1445 1
47 . 1 1 8 8 GLU HG2 H 1 2.55 . . 1 . . . . . . . . 1445 1
48 . 1 1 8 8 GLU HG3 H 1 2.55 . . 1 . . . . . . . . 1445 1
49 . 1 1 9 9 LEU H H 1 8.36 . . 1 . . . . . . . . 1445 1
50 . 1 1 9 9 LEU HA H 1 4.14 . . 1 . . . . . . . . 1445 1
51 . 1 1 9 9 LEU HB2 H 1 1.56 . . 2 . . . . . . . . 1445 1
52 . 1 1 9 9 LEU HB3 H 1 1.83 . . 2 . . . . . . . . 1445 1
53 . 1 1 9 9 LEU HG H 1 1.73 . . 1 . . . . . . . . 1445 1
54 . 1 1 9 9 LEU HD11 H 1 0.89 . . 1 . . . . . . . . 1445 1
55 . 1 1 9 9 LEU HD12 H 1 0.89 . . 1 . . . . . . . . 1445 1
56 . 1 1 9 9 LEU HD13 H 1 0.89 . . 1 . . . . . . . . 1445 1
57 . 1 1 9 9 LEU HD21 H 1 0.89 . . 1 . . . . . . . . 1445 1
58 . 1 1 9 9 LEU HD22 H 1 0.89 . . 1 . . . . . . . . 1445 1
59 . 1 1 9 9 LEU HD23 H 1 0.89 . . 1 . . . . . . . . 1445 1
60 . 1 1 10 10 LEU H H 1 8.13 . . 1 . . . . . . . . 1445 1
61 . 1 1 10 10 LEU HA H 1 4.32 . . 1 . . . . . . . . 1445 1
62 . 1 1 10 10 LEU HB2 H 1 1.74 . . 1 . . . . . . . . 1445 1
63 . 1 1 10 10 LEU HB3 H 1 1.74 . . 1 . . . . . . . . 1445 1
64 . 1 1 10 10 LEU HG H 1 1.67 . . 1 . . . . . . . . 1445 1
65 . 1 1 10 10 LEU HD11 H 1 0.89 . . 2 . . . . . . . . 1445 1
66 . 1 1 10 10 LEU HD12 H 1 0.89 . . 2 . . . . . . . . 1445 1
67 . 1 1 10 10 LEU HD13 H 1 0.89 . . 2 . . . . . . . . 1445 1
68 . 1 1 10 10 LEU HD21 H 1 0.95 . . 2 . . . . . . . . 1445 1
69 . 1 1 10 10 LEU HD22 H 1 0.95 . . 2 . . . . . . . . 1445 1
70 . 1 1 10 10 LEU HD23 H 1 0.95 . . 2 . . . . . . . . 1445 1
71 . 1 1 11 11 ALA H H 1 8.05 . . 1 . . . . . . . . 1445 1
72 . 1 1 11 11 ALA HA H 1 4.19 . . 1 . . . . . . . . 1445 1
73 . 1 1 11 11 ALA HB1 H 1 1.49 . . 1 . . . . . . . . 1445 1
74 . 1 1 11 11 ALA HB2 H 1 1.49 . . 1 . . . . . . . . 1445 1
75 . 1 1 11 11 ALA HB3 H 1 1.49 . . 1 . . . . . . . . 1445 1
76 . 1 1 12 12 LYS H H 1 8.05 . . 1 . . . . . . . . 1445 1
77 . 1 1 12 12 LYS HA H 1 4.19 . . 1 . . . . . . . . 1445 1
78 . 1 1 12 12 LYS HB2 H 1 1.91 . . 1 . . . . . . . . 1445 1
79 . 1 1 12 12 LYS HB3 H 1 1.91 . . 1 . . . . . . . . 1445 1
80 . 1 1 12 12 LYS HG2 H 1 1.44 . . 1 . . . . . . . . 1445 1
81 . 1 1 12 12 LYS HG3 H 1 1.44 . . 1 . . . . . . . . 1445 1
82 . 1 1 12 12 LYS HD2 H 1 1.71 . . 1 . . . . . . . . 1445 1
83 . 1 1 12 12 LYS HD3 H 1 1.71 . . 1 . . . . . . . . 1445 1
84 . 1 1 12 12 LYS HE2 H 1 2.99 . . 1 . . . . . . . . 1445 1
85 . 1 1 12 12 LYS HE3 H 1 2.99 . . 1 . . . . . . . . 1445 1
86 . 1 1 12 12 LYS HZ1 H 1 7.64 . . 1 . . . . . . . . 1445 1
87 . 1 1 12 12 LYS HZ2 H 1 7.64 . . 1 . . . . . . . . 1445 1
88 . 1 1 12 12 LYS HZ3 H 1 7.64 . . 1 . . . . . . . . 1445 1
89 . 1 1 13 13 TYR H H 1 8.23 . . 1 . . . . . . . . 1445 1
90 . 1 1 13 13 TYR HA H 1 4.31 . . 1 . . . . . . . . 1445 1
91 . 1 1 13 13 TYR HB2 H 1 3.16 . . 2 . . . . . . . . 1445 1
92 . 1 1 13 13 TYR HB3 H 1 3.24 . . 2 . . . . . . . . 1445 1
93 . 1 1 13 13 TYR HD1 H 1 7.04 . . 1 . . . . . . . . 1445 1
94 . 1 1 13 13 TYR HD2 H 1 7.04 . . 1 . . . . . . . . 1445 1
95 . 1 1 13 13 TYR HE1 H 1 6.62 . . 1 . . . . . . . . 1445 1
96 . 1 1 13 13 TYR HE2 H 1 6.62 . . 1 . . . . . . . . 1445 1
97 . 1 1 14 14 GLU H H 1 8.73 . . 1 . . . . . . . . 1445 1
98 . 1 1 14 14 GLU HA H 1 4.14 . . 1 . . . . . . . . 1445 1
99 . 1 1 14 14 GLU HB2 H 1 2.16 . . 1 . . . . . . . . 1445 1
100 . 1 1 14 14 GLU HB3 H 1 2.16 . . 1 . . . . . . . . 1445 1
101 . 1 1 14 14 GLU HG2 H 1 2.67 . . 1 . . . . . . . . 1445 1
102 . 1 1 14 14 GLU HG3 H 1 2.67 . . 1 . . . . . . . . 1445 1
103 . 1 1 15 15 ALA H H 1 8.01 . . 1 . . . . . . . . 1445 1
104 . 1 1 15 15 ALA HA H 1 4.24 . . 1 . . . . . . . . 1445 1
105 . 1 1 15 15 ALA HB1 H 1 1.53 . . 1 . . . . . . . . 1445 1
106 . 1 1 15 15 ALA HB2 H 1 1.53 . . 1 . . . . . . . . 1445 1
107 . 1 1 15 15 ALA HB3 H 1 1.53 . . 1 . . . . . . . . 1445 1
108 . 1 1 16 16 THR H H 1 7.73 . . 1 . . . . . . . . 1445 1
109 . 1 1 16 16 THR HA H 1 4.31 . . 1 . . . . . . . . 1445 1
110 . 1 1 16 16 THR HB H 1 4.21 . . 1 . . . . . . . . 1445 1
111 . 1 1 16 16 THR HG21 H 1 1.19 . . 1 . . . . . . . . 1445 1
112 . 1 1 16 16 THR HG22 H 1 1.19 . . 1 . . . . . . . . 1445 1
113 . 1 1 16 16 THR HG23 H 1 1.19 . . 1 . . . . . . . . 1445 1
114 . 1 1 17 17 HIS H H 1 7.96 . . 1 . . . . . . . . 1445 1
115 . 1 1 17 17 HIS HA H 1 4.63 . . 1 . . . . . . . . 1445 1
116 . 1 1 17 17 HIS HB2 H 1 2.75 . . 2 . . . . . . . . 1445 1
117 . 1 1 17 17 HIS HB3 H 1 3.17 . . 2 . . . . . . . . 1445 1
118 . 1 1 17 17 HIS HD2 H 1 7.16 . . 1 . . . . . . . . 1445 1
119 . 1 1 17 17 HIS HE1 H 1 8.41 . . 1 . . . . . . . . 1445 1
120 . 1 1 18 18 LYS H H 1 8.32 . . 1 . . . . . . . . 1445 1
121 . 1 1 18 18 LYS HA H 1 4.28 . . 1 . . . . . . . . 1445 1
122 . 1 1 18 18 LYS HB2 H 1 1.84 . . 2 . . . . . . . . 1445 1
123 . 1 1 18 18 LYS HB3 H 1 1.78 . . 2 . . . . . . . . 1445 1
124 . 1 1 18 18 LYS HG2 H 1 1.46 . . 1 . . . . . . . . 1445 1
125 . 1 1 18 18 LYS HG3 H 1 1.46 . . 1 . . . . . . . . 1445 1
126 . 1 1 18 18 LYS HD2 H 1 1.7 . . 1 . . . . . . . . 1445 1
127 . 1 1 18 18 LYS HD3 H 1 1.7 . . 1 . . . . . . . . 1445 1
128 . 1 1 18 18 LYS HE2 H 1 3 . . 1 . . . . . . . . 1445 1
129 . 1 1 18 18 LYS HE3 H 1 3 . . 1 . . . . . . . . 1445 1
130 . 1 1 18 18 LYS HZ1 H 1 7.58 . . 1 . . . . . . . . 1445 1
131 . 1 1 18 18 LYS HZ2 H 1 7.58 . . 1 . . . . . . . . 1445 1
132 . 1 1 18 18 LYS HZ3 H 1 7.58 . . 1 . . . . . . . . 1445 1
stop_
save_