Content for NMR-STAR saveframe, "assigned_chemical_shifts_one"
save_assigned_chemical_shifts_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one
_Assigned_chem_shift_list.Entry_ID 4432
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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
. . 2 $sample_two . 4432 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 PRO HA H 1 4.387 . . 1 . . . . . . . . 4432 1
2 . 1 1 1 1 PRO HB2 H 1 2.446 . . 2 . . . . . . . . 4432 1
3 . 1 1 1 1 PRO HD2 H 1 3.387 . . 2 . . . . . . . . 4432 1
4 . 1 1 1 1 PRO HG2 H 1 2.043 . . 2 . . . . . . . . 4432 1
5 . 1 1 2 2 ALA HA H 1 4.35 . . 1 . . . . . . . . 4432 1
6 . 1 1 2 2 ALA HB1 H 1 1.397 . . 1 . . . . . . . . 4432 1
7 . 1 1 2 2 ALA HB2 H 1 1.397 . . 1 . . . . . . . . 4432 1
8 . 1 1 2 2 ALA HB3 H 1 1.397 . . 1 . . . . . . . . 4432 1
9 . 1 1 2 2 ALA H H 1 8.796 . . 1 . . . . . . . . 4432 1
10 . 1 1 3 3 ARG HA H 1 4.309 . . 1 . . . . . . . . 4432 1
11 . 1 1 3 3 ARG HB2 H 1 1.817 . . 1 . . . . . . . . 4432 1
12 . 1 1 3 3 ARG HD2 H 1 3.178 . . 2 . . . . . . . . 4432 1
13 . 1 1 3 3 ARG HG2 H 1 1.649 . . 1 . . . . . . . . 4432 1
14 . 1 1 3 3 ARG HE H 1 7.451 . . 1 . . . . . . . . 4432 1
15 . 1 1 3 3 ARG H H 1 8.569 . . 1 . . . . . . . . 4432 1
16 . 1 1 4 4 VAL HA H 1 4.037 . . 1 . . . . . . . . 4432 1
17 . 1 1 4 4 VAL HB H 1 2.081 . . 1 . . . . . . . . 4432 1
18 . 1 1 4 4 VAL HG11 H 1 0.953 . . 2 . . . . . . . . 4432 1
19 . 1 1 4 4 VAL HG12 H 1 0.953 . . 2 . . . . . . . . 4432 1
20 . 1 1 4 4 VAL HG13 H 1 0.953 . . 2 . . . . . . . . 4432 1
21 . 1 1 4 4 VAL HG21 H 1 0.937 . . 2 . . . . . . . . 4432 1
22 . 1 1 4 4 VAL HG22 H 1 0.937 . . 2 . . . . . . . . 4432 1
23 . 1 1 4 4 VAL HG23 H 1 0.937 . . 2 . . . . . . . . 4432 1
24 . 1 1 4 4 VAL H H 1 8.152 . . 1 . . . . . . . . 4432 1
25 . 1 1 5 5 GLY HA2 H 1 3.934 . . 2 . . . . . . . . 4432 1
26 . 1 1 5 5 GLY H H 1 8.486 . . 1 . . . . . . . . 4432 1
27 . 1 1 6 6 LEU HA H 1 4.276 . . 1 . . . . . . . . 4432 1
28 . 1 1 6 6 LEU HB2 H 1 1.668 . . 1 . . . . . . . . 4432 1
29 . 1 1 6 6 LEU HD11 H 1 0.892 . . 2 . . . . . . . . 4432 1
30 . 1 1 6 6 LEU HD12 H 1 0.892 . . 2 . . . . . . . . 4432 1
31 . 1 1 6 6 LEU HD13 H 1 0.892 . . 2 . . . . . . . . 4432 1
32 . 1 1 6 6 LEU HD21 H 1 0.937 . . 2 . . . . . . . . 4432 1
33 . 1 1 6 6 LEU HD22 H 1 0.937 . . 2 . . . . . . . . 4432 1
34 . 1 1 6 6 LEU HD23 H 1 0.937 . . 2 . . . . . . . . 4432 1
35 . 1 1 6 6 LEU HG H 1 1.610 . . 1 . . . . . . . . 4432 1
36 . 1 1 6 6 LEU H H 1 8.228 . . 1 . . . . . . . . 4432 1
37 . 1 1 7 7 GLY HA2 H 1 3.965 . . 1 . . . . . . . . 4432 1
38 . 1 1 7 7 GLY HA3 H 1 3.958 . . 1 . . . . . . . . 4432 1
39 . 1 1 7 7 GLY H H 1 8.426 . . 1 . . . . . . . . 4432 1
40 . 1 1 8 8 ILE HA H 1 3.909 . . 1 . . . . . . . . 4432 1
41 . 1 1 8 8 ILE HB H 1 1.953 . . 1 . . . . . . . . 4432 1
42 . 1 1 8 8 ILE HD11 H 1 0.888 . . 1 . . . . . . . . 4432 1
43 . 1 1 8 8 ILE HD12 H 1 0.888 . . 1 . . . . . . . . 4432 1
44 . 1 1 8 8 ILE HD13 H 1 0.888 . . 1 . . . . . . . . 4432 1
45 . 1 1 8 8 ILE HG12 H 1 1.607 . . 1 . . . . . . . . 4432 1
46 . 1 1 8 8 ILE HG13 H 1 1.607 . . 1 . . . . . . . . 4432 1
47 . 1 1 8 8 ILE HG21 H 1 1.235 . . 1 . . . . . . . . 4432 1
48 . 1 1 8 8 ILE HG22 H 1 1.235 . . 1 . . . . . . . . 4432 1
49 . 1 1 8 8 ILE HG23 H 1 1.235 . . 1 . . . . . . . . 4432 1
50 . 1 1 8 8 ILE H H 1 8.409 . . 1 . . . . . . . . 4432 1
51 . 1 1 9 9 THR HA H 1 3.998 . . 1 . . . . . . . . 4432 1
52 . 1 1 9 9 THR HB H 1 4.265 . . 1 . . . . . . . . 4432 1
53 . 1 1 9 9 THR HG21 H 1 1.244 . . 1 . . . . . . . . 4432 1
54 . 1 1 9 9 THR HG22 H 1 1.244 . . 1 . . . . . . . . 4432 1
55 . 1 1 9 9 THR HG23 H 1 1.244 . . 1 . . . . . . . . 4432 1
56 . 1 1 9 9 THR H H 1 8.292 . . 1 . . . . . . . . 4432 1
57 . 1 1 10 10 THR HA H 1 4.066 . . 1 . . . . . . . . 4432 1
58 . 1 1 10 10 THR HB H 1 4.268 . . 1 . . . . . . . . 4432 1
59 . 1 1 10 10 THR HG21 H 1 1.231 . . 1 . . . . . . . . 4432 1
60 . 1 1 10 10 THR HG22 H 1 1.231 . . 1 . . . . . . . . 4432 1
61 . 1 1 10 10 THR HG23 H 1 1.231 . . 1 . . . . . . . . 4432 1
62 . 1 1 10 10 THR H H 1 7.893 . . 1 . . . . . . . . 4432 1
63 . 1 1 11 11 VAL HA H 1 3.868 . . 1 . . . . . . . . 4432 1
64 . 1 1 11 11 VAL HB H 1 2.2 . . 1 . . . . . . . . 4432 1
65 . 1 1 11 11 VAL HG11 H 1 1.025 . . 2 . . . . . . . . 4432 1
66 . 1 1 11 11 VAL HG12 H 1 1.025 . . 2 . . . . . . . . 4432 1
67 . 1 1 11 11 VAL HG13 H 1 1.025 . . 2 . . . . . . . . 4432 1
68 . 1 1 11 11 VAL HG21 H 1 0.942 . . 2 . . . . . . . . 4432 1
69 . 1 1 11 11 VAL HG22 H 1 0.942 . . 2 . . . . . . . . 4432 1
70 . 1 1 11 11 VAL HG23 H 1 0.942 . . 2 . . . . . . . . 4432 1
71 . 1 1 11 11 VAL H H 1 7.741 . . 1 . . . . . . . . 4432 1
72 . 1 1 12 12 LEU HA H 1 4.2 . . 1 . . . . . . . . 4432 1
73 . 1 1 12 12 LEU HB2 H 1 1.803 . . 1 . . . . . . . . 4432 1
74 . 1 1 12 12 LEU HD11 H 1 0.866 . . 2 . . . . . . . . 4432 1
75 . 1 1 12 12 LEU HD12 H 1 0.866 . . 2 . . . . . . . . 4432 1
76 . 1 1 12 12 LEU HD13 H 1 0.866 . . 2 . . . . . . . . 4432 1
77 . 1 1 12 12 LEU HG H 1 1.591 . . 1 . . . . . . . . 4432 1
78 . 1 1 12 12 LEU H H 1 8.045 . . 1 . . . . . . . . 4432 1
79 . 1 1 13 13 THR HA H 1 4.202 . . 1 . . . . . . . . 4432 1
80 . 1 1 13 13 THR HB H 1 4.306 . . 1 . . . . . . . . 4432 1
81 . 1 1 13 13 THR HG21 H 1 1.221 . . 1 . . . . . . . . 4432 1
82 . 1 1 13 13 THR HG22 H 1 1.221 . . 1 . . . . . . . . 4432 1
83 . 1 1 13 13 THR HG23 H 1 1.221 . . 1 . . . . . . . . 4432 1
84 . 1 1 13 13 THR H H 1 7.963 . . 1 . . . . . . . . 4432 1
85 . 1 1 14 14 MET HA H 1 4.401 . . 1 . . . . . . . . 4432 1
86 . 1 1 14 14 MET HB2 H 1 2.149 . . 2 . . . . . . . . 4432 1
87 . 1 1 14 14 MET HG2 H 1 2.684 . . 1 . . . . . . . . 4432 1
88 . 1 1 14 14 MET HG3 H 1 2.597 . . 1 . . . . . . . . 4432 1
89 . 1 1 14 14 MET H H 1 8.023 . . 1 . . . . . . . . 4432 1
90 . 1 1 15 15 THR HA H 1 4.261 . . 1 . . . . . . . . 4432 1
91 . 1 1 15 15 THR HB H 1 4.387 . . 1 . . . . . . . . 4432 1
92 . 1 1 15 15 THR HG21 H 1 1.219 . . 1 . . . . . . . . 4432 1
93 . 1 1 15 15 THR HG22 H 1 1.219 . . 1 . . . . . . . . 4432 1
94 . 1 1 15 15 THR HG23 H 1 1.219 . . 1 . . . . . . . . 4432 1
95 . 1 1 15 15 THR H H 1 7.924 . . 1 . . . . . . . . 4432 1
96 . 1 1 16 16 THR HA H 1 4.268 . . 1 . . . . . . . . 4432 1
97 . 1 1 16 16 THR HB H 1 4.339 . . 1 . . . . . . . . 4432 1
98 . 1 1 16 16 THR HG21 H 1 1.220 . . 1 . . . . . . . . 4432 1
99 . 1 1 16 16 THR HG22 H 1 1.220 . . 1 . . . . . . . . 4432 1
100 . 1 1 16 16 THR HG23 H 1 1.220 . . 1 . . . . . . . . 4432 1
101 . 1 1 16 16 THR H H 1 7.943 . . 1 . . . . . . . . 4432 1
102 . 1 1 17 17 GLN HA H 1 4.356 . . 1 . . . . . . . . 4432 1
103 . 1 1 17 17 GLN HB2 H 1 2.016 . . 1 . . . . . . . . 4432 1
104 . 1 1 17 17 GLN HB3 H 1 2.155 . . 1 . . . . . . . . 4432 1
105 . 1 1 17 17 GLN HG2 H 1 2.378 . . 2 . . . . . . . . 4432 1
106 . 1 1 17 17 GLN H H 1 8.251 . . 1 . . . . . . . . 4432 1
107 . 1 1 18 18 SER HA H 1 4.465 . . 1 . . . . . . . . 4432 1
108 . 1 1 18 18 SER HB2 H 1 3.895 . . 1 . . . . . . . . 4432 1
109 . 1 1 18 18 SER H H 1 8.294 . . 1 . . . . . . . . 4432 1
110 . 1 1 19 19 SER HA H 1 4.437 . . 1 . . . . . . . . 4432 1
111 . 1 1 19 19 SER HB2 H 1 3.853 . . 1 . . . . . . . . 4432 1
112 . 1 1 19 19 SER HB3 H 1 3.884 . . 1 . . . . . . . . 4432 1
113 . 1 1 19 19 SER H H 1 8.350 . . 1 . . . . . . . . 4432 1
114 . 1 1 20 20 GLY HA2 H 1 3.979 . . 2 . . . . . . . . 4432 1
115 . 1 1 20 20 GLY H H 1 8.392 . . 1 . . . . . . . . 4432 1
116 . 1 1 21 21 SER HA H 1 4.433 . . 1 . . . . . . . . 4432 1
117 . 1 1 21 21 SER HB2 H 1 3.844 . . 1 . . . . . . . . 4432 1
118 . 1 1 21 21 SER HB3 H 1 3.970 . . 1 . . . . . . . . 4432 1
119 . 1 1 21 21 SER H H 1 8.135 . . 1 . . . . . . . . 4432 1
120 . 1 1 22 22 ARG HA H 1 4.350 . . 1 . . . . . . . . 4432 1
121 . 1 1 22 22 ARG HB2 H 1 1.878 . . 1 . . . . . . . . 4432 1
122 . 1 1 22 22 ARG HD2 H 1 3.179 . . 1 . . . . . . . . 4432 1
123 . 1 1 22 22 ARG HE H 1 7.277 . . 1 . . . . . . . . 4432 1
124 . 1 1 22 22 ARG HG2 H 1 1.649 . . 1 . . . . . . . . 4432 1
125 . 1 1 22 22 ARG HG3 H 1 1.744 . . 1 . . . . . . . . 4432 1
126 . 1 1 22 22 ARG H H 1 8.349 . . 1 . . . . . . . . 4432 1
127 . 1 1 23 23 ALA HA H 1 4.196 . . 1 . . . . . . . . 4432 1
128 . 1 1 23 23 ALA HB1 H 1 1.347 . . 1 . . . . . . . . 4432 1
129 . 1 1 23 23 ALA HB2 H 1 1.347 . . 1 . . . . . . . . 4432 1
130 . 1 1 23 23 ALA HB3 H 1 1.347 . . 1 . . . . . . . . 4432 1
131 . 1 1 23 23 ALA H H 1 8.098 . . 1 . . . . . . . . 4432 1
stop_
save_