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 444
_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 . 444 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 13 13 PHE H H 1 7.83 . . 1 . . . . . . . . 444 1
2 . 1 1 13 13 PHE HA H 1 5.4 . . 1 . . . . . . . . 444 1
3 . 1 1 13 13 PHE HB2 H 1 3.68 . . 2 . . . . . . . . 444 1
4 . 1 1 13 13 PHE HB3 H 1 3.26 . . 2 . . . . . . . . 444 1
5 . 1 1 13 13 PHE HD1 H 1 6.93 . . 1 . . . . . . . . 444 1
6 . 1 1 13 13 PHE HD2 H 1 6.93 . . 1 . . . . . . . . 444 1
7 . 1 1 13 13 PHE HE1 H 1 7.27 . . 1 . . . . . . . . 444 1
8 . 1 1 13 13 PHE HE2 H 1 7.27 . . 1 . . . . . . . . 444 1
9 . 1 1 13 13 PHE HZ H 1 7.27 . . 1 . . . . . . . . 444 1
10 . 1 1 14 14 THR H H 1 9.21 . . 1 . . . . . . . . 444 1
11 . 1 1 14 14 THR HA H 1 4.73 . . 1 . . . . . . . . 444 1
12 . 1 1 14 14 THR HB H 1 4.23 . . 1 . . . . . . . . 444 1
13 . 1 1 14 14 THR HG21 H 1 1.28 . . 1 . . . . . . . . 444 1
14 . 1 1 14 14 THR HG22 H 1 1.28 . . 1 . . . . . . . . 444 1
15 . 1 1 14 14 THR HG23 H 1 1.28 . . 1 . . . . . . . . 444 1
16 . 1 1 15 15 THR H H 1 8.87 . . 1 . . . . . . . . 444 1
17 . 1 1 15 15 THR HA H 1 5.35 . . 1 . . . . . . . . 444 1
18 . 1 1 15 15 THR HB H 1 3.92 . . 1 . . . . . . . . 444 1
19 . 1 1 15 15 THR HG21 H 1 1.23 . . 1 . . . . . . . . 444 1
20 . 1 1 15 15 THR HG22 H 1 1.23 . . 1 . . . . . . . . 444 1
21 . 1 1 15 15 THR HG23 H 1 1.23 . . 1 . . . . . . . . 444 1
22 . 1 1 16 16 ARG H H 1 9.36 . . 1 . . . . . . . . 444 1
23 . 1 1 16 16 ARG HA H 1 4.75 . . 1 . . . . . . . . 444 1
24 . 1 1 16 16 ARG HB2 H 1 1.88 . . 2 . . . . . . . . 444 1
25 . 1 1 16 16 ARG HB3 H 1 1.8 . . 2 . . . . . . . . 444 1
26 . 1 1 16 16 ARG HG2 H 1 1.6 . . 1 . . . . . . . . 444 1
27 . 1 1 16 16 ARG HG3 H 1 1.6 . . 1 . . . . . . . . 444 1
28 . 1 1 17 17 SER H H 1 8.56 . . 1 . . . . . . . . 444 1
29 . 1 1 17 17 SER HA H 1 5.01 . . 1 . . . . . . . . 444 1
30 . 1 1 17 17 SER HB2 H 1 3.81 . . 1 . . . . . . . . 444 1
31 . 1 1 17 17 SER HB3 H 1 3.81 . . 1 . . . . . . . . 444 1
32 . 1 1 18 18 GLY H H 1 7.66 . . 1 . . . . . . . . 444 1
33 . 1 1 18 18 GLY HA2 H 1 4.07 . . 2 . . . . . . . . 444 1
34 . 1 1 18 18 GLY HA3 H 1 3.54 . . 2 . . . . . . . . 444 1
35 . 1 1 19 19 VAL H H 1 8.41 . . 1 . . . . . . . . 444 1
36 . 1 1 19 19 VAL HA H 1 4.57 . . 1 . . . . . . . . 444 1
37 . 1 1 19 19 VAL HB H 1 1.89 . . 1 . . . . . . . . 444 1
38 . 1 1 19 19 VAL HG11 H 1 .88 . . 1 . . . . . . . . 444 1
39 . 1 1 19 19 VAL HG12 H 1 .88 . . 1 . . . . . . . . 444 1
40 . 1 1 19 19 VAL HG13 H 1 .88 . . 1 . . . . . . . . 444 1
41 . 1 1 19 19 VAL HG21 H 1 .88 . . 1 . . . . . . . . 444 1
42 . 1 1 19 19 VAL HG22 H 1 .88 . . 1 . . . . . . . . 444 1
43 . 1 1 19 19 VAL HG23 H 1 .88 . . 1 . . . . . . . . 444 1
44 . 1 1 20 20 SER H H 1 9.15 . . 1 . . . . . . . . 444 1
45 . 1 1 20 20 SER HA H 1 4.7 . . 1 . . . . . . . . 444 1
46 . 1 1 20 20 SER HB2 H 1 4.38 . . 2 . . . . . . . . 444 1
47 . 1 1 20 20 SER HB3 H 1 4.08 . . 2 . . . . . . . . 444 1
48 . 1 1 21 21 ARG H H 1 9.13 . . 1 . . . . . . . . 444 1
49 . 1 1 21 21 ARG HA H 1 4.26 . . 1 . . . . . . . . 444 1
50 . 1 1 21 21 ARG HB2 H 1 1.93 . . 1 . . . . . . . . 444 1
51 . 1 1 21 21 ARG HB3 H 1 1.93 . . 1 . . . . . . . . 444 1
52 . 1 1 21 21 ARG HG2 H 1 1.76 . . 1 . . . . . . . . 444 1
53 . 1 1 21 21 ARG HG3 H 1 1.76 . . 1 . . . . . . . . 444 1
54 . 1 1 21 21 ARG HD2 H 1 3.26 . . 1 . . . . . . . . 444 1
55 . 1 1 21 21 ARG HD3 H 1 3.26 . . 1 . . . . . . . . 444 1
56 . 1 1 22 22 GLN H H 1 7.93 . . 1 . . . . . . . . 444 1
57 . 1 1 22 22 GLN HA H 1 4.42 . . 1 . . . . . . . . 444 1
58 . 1 1 22 22 GLN HB2 H 1 2.34 . . 2 . . . . . . . . 444 1
59 . 1 1 22 22 GLN HB3 H 1 1.93 . . 2 . . . . . . . . 444 1
60 . 1 1 22 22 GLN HG2 H 1 2.5 . . 2 . . . . . . . . 444 1
61 . 1 1 22 22 GLN HG3 H 1 2.39 . . 2 . . . . . . . . 444 1
62 . 1 1 23 23 GLY H H 1 8.19 . . 1 . . . . . . . . 444 1
63 . 1 1 23 23 GLY HA2 H 1 4.2 . . 2 . . . . . . . . 444 1
64 . 1 1 23 23 GLY HA3 H 1 3.64 . . 2 . . . . . . . . 444 1
65 . 1 1 24 24 LYS H H 1 7.67 . . 1 . . . . . . . . 444 1
66 . 1 1 24 24 LYS HA H 1 4.92 . . 1 . . . . . . . . 444 1
67 . 1 1 24 24 LYS HB2 H 1 1.93 . . 2 . . . . . . . . 444 1
68 . 1 1 24 24 LYS HB3 H 1 1.77 . . 2 . . . . . . . . 444 1
69 . 1 1 25 25 PRO HA H 1 5.04 . . 1 . . . . . . . . 444 1
70 . 1 1 25 25 PRO HB2 H 1 2.34 . . 2 . . . . . . . . 444 1
71 . 1 1 25 25 PRO HB3 H 1 1.95 . . 2 . . . . . . . . 444 1
72 . 1 1 25 25 PRO HG2 H 1 2.15 . . 2 . . . . . . . . 444 1
73 . 1 1 25 25 PRO HG3 H 1 2.04 . . 2 . . . . . . . . 444 1
74 . 1 1 25 25 PRO HD2 H 1 4.09 . . 2 . . . . . . . . 444 1
75 . 1 1 25 25 PRO HD3 H 1 3.78 . . 2 . . . . . . . . 444 1
76 . 1 1 26 26 TYR H H 1 8.37 . . 1 . . . . . . . . 444 1
77 . 1 1 26 26 TYR HA H 1 4.94 . . 1 . . . . . . . . 444 1
78 . 1 1 26 26 TYR HB2 H 1 2.98 . . 1 . . . . . . . . 444 1
79 . 1 1 26 26 TYR HB3 H 1 2.98 . . 1 . . . . . . . . 444 1
80 . 1 1 26 26 TYR HD1 H 1 6.89 . . 1 . . . . . . . . 444 1
81 . 1 1 26 26 TYR HD2 H 1 6.89 . . 1 . . . . . . . . 444 1
82 . 1 1 26 26 TYR HE1 H 1 6.48 . . 1 . . . . . . . . 444 1
83 . 1 1 26 26 TYR HE2 H 1 6.48 . . 1 . . . . . . . . 444 1
84 . 1 1 27 27 SER H H 1 8.39 . . 1 . . . . . . . . 444 1
85 . 1 1 27 27 SER HA H 1 4.97 . . 1 . . . . . . . . 444 1
86 . 1 1 27 27 SER HB2 H 1 3.69 . . 2 . . . . . . . . 444 1
87 . 1 1 27 27 SER HB3 H 1 3.63 . . 2 . . . . . . . . 444 1
88 . 1 1 28 28 LEU H H 1 8.94 . . 1 . . . . . . . . 444 1
89 . 1 1 28 28 LEU HA H 1 4.65 . . 1 . . . . . . . . 444 1
90 . 1 1 28 28 LEU HB2 H 1 1.6 . . 1 . . . . . . . . 444 1
91 . 1 1 28 28 LEU HB3 H 1 1.6 . . 1 . . . . . . . . 444 1
92 . 1 1 28 28 LEU HG H 1 1.6 . . 1 . . . . . . . . 444 1
93 . 1 1 28 28 LEU HD11 H 1 .9 . . 2 . . . . . . . . 444 1
94 . 1 1 28 28 LEU HD12 H 1 .9 . . 2 . . . . . . . . 444 1
95 . 1 1 28 28 LEU HD13 H 1 .9 . . 2 . . . . . . . . 444 1
96 . 1 1 28 28 LEU HD21 H 1 .85 . . 2 . . . . . . . . 444 1
97 . 1 1 28 28 LEU HD22 H 1 .85 . . 2 . . . . . . . . 444 1
98 . 1 1 28 28 LEU HD23 H 1 .85 . . 2 . . . . . . . . 444 1
99 . 1 1 29 29 ASN H H 1 9.06 . . 1 . . . . . . . . 444 1
100 . 1 1 29 29 ASN HA H 1 5.47 . . 1 . . . . . . . . 444 1
101 . 1 1 29 29 ASN HB2 H 1 2.48 . . 2 . . . . . . . . 444 1
102 . 1 1 29 29 ASN HB3 H 1 1.62 . . 2 . . . . . . . . 444 1
103 . 1 1 30 30 GLU H H 1 8.93 . . 1 . . . . . . . . 444 1
104 . 1 1 30 30 GLU HA H 1 5.54 . . 1 . . . . . . . . 444 1
105 . 1 1 30 30 GLU HB2 H 1 1.99 . . 1 . . . . . . . . 444 1
106 . 1 1 30 30 GLU HB3 H 1 1.99 . . 1 . . . . . . . . 444 1
107 . 1 1 31 31 GLN H H 1 9.31 . . 1 . . . . . . . . 444 1
108 . 1 1 31 31 GLN HA H 1 4.9 . . 1 . . . . . . . . 444 1
109 . 1 1 31 31 GLN HB2 H 1 2.03 . . 1 . . . . . . . . 444 1
110 . 1 1 31 31 GLN HB3 H 1 2.03 . . 1 . . . . . . . . 444 1
stop_
save_