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 758
_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 . 758 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 2 2 ASP H H 1 8.97 . . 1 . . . . . . . . 758 1
2 . 1 1 4 4 GLU H H 1 7.91 . . 1 . . . . . . . . 758 1
3 . 1 1 5 5 VAL H H 1 7.04 . . 1 . . . . . . . . 758 1
4 . 1 1 6 6 LEU H H 1 7.57 . . 1 . . . . . . . . 758 1
5 . 1 1 7 7 PHE H H 1 8.32 . . 1 . . . . . . . . 758 1
6 . 1 1 8 8 LYS H H 1 6.96 . . 1 . . . . . . . . 758 1
7 . 1 1 9 9 ASN H H 1 8.8 . . 1 . . . . . . . . 758 1
8 . 1 1 9 9 ASN HB2 H 1 2.93 . . 2 . . . . . . . . 758 1
9 . 1 1 9 9 ASN HB3 H 1 2.91 . . 2 . . . . . . . . 758 1
10 . 1 1 10 10 LYS H H 1 8.95 . . 1 . . . . . . . . 758 1
11 . 1 1 11 11 GLY H H 1 7.91 . . 1 . . . . . . . . 758 1
12 . 1 1 13 13 VAL H H 1 6.63 . . 1 . . . . . . . . 758 1
13 . 1 1 14 14 ALA H H 1 7.36 . . 1 . . . . . . . . 758 1
14 . 1 1 16 16 HIS H H 1 6.8 . . 1 . . . . . . . . 758 1
15 . 1 1 17 17 ALA H H 1 7.7 . . 1 . . . . . . . . 758 1
16 . 1 1 18 18 ILE H H 1 8.13 . . 1 . . . . . . . . 758 1
17 . 1 1 19 19 ASP H H 1 8.2 . . 1 . . . . . . . . 758 1
18 . 1 1 19 19 ASP HA H 1 4.72 . . 1 . . . . . . . . 758 1
19 . 1 1 19 19 ASP HB2 H 1 2.8 . . 2 . . . . . . . . 758 1
20 . 1 1 19 19 ASP HB3 H 1 2.48 . . 2 . . . . . . . . 758 1
21 . 1 1 20 20 THR H H 1 6.46 . . 1 . . . . . . . . 758 1
22 . 1 1 21 21 LYS H H 1 8.43 . . 1 . . . . . . . . 758 1
23 . 1 1 21 21 LYS HB2 H 1 1.7 . . 2 . . . . . . . . 758 1
24 . 1 1 21 21 LYS HB3 H 1 1.62 . . 2 . . . . . . . . 758 1
25 . 1 1 21 21 LYS HG2 H 1 1.08 . . 1 . . . . . . . . 758 1
26 . 1 1 21 21 LYS HG3 H 1 1.08 . . 1 . . . . . . . . 758 1
27 . 1 1 21 21 LYS HD2 H 1 1.62 . . 2 . . . . . . . . 758 1
28 . 1 1 21 21 LYS HD3 H 1 1.52 . . 2 . . . . . . . . 758 1
29 . 1 1 21 21 LYS HE2 H 1 2.82 . . 2 . . . . . . . . 758 1
30 . 1 1 21 21 LYS HE3 H 1 2.95 . . 2 . . . . . . . . 758 1
31 . 1 1 21 21 LYS HZ1 H 1 7.5 . . 1 . . . . . . . . 758 1
32 . 1 1 21 21 LYS HZ2 H 1 7.5 . . 1 . . . . . . . . 758 1
33 . 1 1 21 21 LYS HZ3 H 1 7.5 . . 1 . . . . . . . . 758 1
34 . 1 1 22 22 MET H H 1 7.35 . . 1 . . . . . . . . 758 1
35 . 1 1 23 23 VAL H H 1 6.95 . . 1 . . . . . . . . 758 1
36 . 1 1 24 24 GLY H H 1 6.71 . . 1 . . . . . . . . 758 1
37 . 1 1 26 26 ALA H H 1 8.45 . . 1 . . . . . . . . 758 1
38 . 1 1 27 27 TYR H H 1 7.5 . . 1 . . . . . . . . 758 1
39 . 1 1 28 28 LYS H H 1 8.93 . . 1 . . . . . . . . 758 1
40 . 1 1 28 28 LYS HB2 H 1 1.76 . . 2 . . . . . . . . 758 1
41 . 1 1 28 28 LYS HB3 H 1 1.54 . . 2 . . . . . . . . 758 1
42 . 1 1 28 28 LYS HG2 H 1 1.28 . . 2 . . . . . . . . 758 1
43 . 1 1 28 28 LYS HG3 H 1 1.22 . . 2 . . . . . . . . 758 1
44 . 1 1 28 28 LYS HD2 H 1 3.61 . . 1 . . . . . . . . 758 1
45 . 1 1 28 28 LYS HD3 H 1 3.61 . . 1 . . . . . . . . 758 1
46 . 1 1 29 29 ASP H H 1 6.83 . . 1 . . . . . . . . 758 1
47 . 1 1 30 30 VAL H H 1 7.55 . . 1 . . . . . . . . 758 1
48 . 1 1 31 31 ALA H H 1 8.59 . . 1 . . . . . . . . 758 1
49 . 1 1 32 32 ALA H H 1 7.55 . . 1 . . . . . . . . 758 1
50 . 1 1 33 33 LYS H H 1 7.86 . . 1 . . . . . . . . 758 1
51 . 1 1 34 34 PHE H H 1 7.75 . . 1 . . . . . . . . 758 1
52 . 1 1 35 35 ALA H H 1 7.78 . . 1 . . . . . . . . 758 1
53 . 1 1 36 36 GLY H H 1 8.83 . . 1 . . . . . . . . 758 1
54 . 1 1 37 37 GLN H H 1 7.83 . . 1 . . . . . . . . 758 1
55 . 1 1 38 38 ALA H H 1 8.99 . . 1 . . . . . . . . 758 1
56 . 1 1 39 39 GLY H H 1 9.02 . . 1 . . . . . . . . 758 1
57 . 1 1 39 39 GLY HA2 H 1 4.13 . . 2 . . . . . . . . 758 1
58 . 1 1 39 39 GLY HA3 H 1 4.02 . . 2 . . . . . . . . 758 1
59 . 1 1 40 40 ALA H H 1 7.65 . . 1 . . . . . . . . 758 1
60 . 1 1 41 41 GLU H H 1 8.72 . . 1 . . . . . . . . 758 1
61 . 1 1 42 42 ALA H H 1 7.93 . . 1 . . . . . . . . 758 1
62 . 1 1 43 43 GLU H H 1 7.8 . . 1 . . . . . . . . 758 1
63 . 1 1 44 44 LEU H H 1 8.69 . . 1 . . . . . . . . 758 1
64 . 1 1 46 46 GLN H H 1 7.38 . . 1 . . . . . . . . 758 1
65 . 1 1 47 47 ARG H H 1 7.55 . . 1 . . . . . . . . 758 1
66 . 1 1 48 48 ILE H H 1 8.17 . . 1 . . . . . . . . 758 1
67 . 1 1 49 49 LYS H H 1 7.09 . . 1 . . . . . . . . 758 1
68 . 1 1 50 50 ASN H H 1 8.05 . . 1 . . . . . . . . 758 1
69 . 1 1 51 51 GLY H H 1 7.39 . . 1 . . . . . . . . 758 1
70 . 1 1 52 52 SER H H 1 7.19 . . 1 . . . . . . . . 758 1
71 . 1 1 53 53 GLN H H 1 7.88 . . 1 . . . . . . . . 758 1
72 . 1 1 54 54 GLY H H 1 8.4 . . 1 . . . . . . . . 758 1
73 . 1 1 55 55 VAL H H 1 10.35 . . 1 . . . . . . . . 758 1
74 . 1 1 56 56 TRP H H 1 10.71 . . 1 . . . . . . . . 758 1
75 . 1 1 57 57 GLY H H 1 7.93 . . 1 . . . . . . . . 758 1
76 . 1 1 59 59 ILE H H 1 7.47 . . 1 . . . . . . . . 758 1
77 . 1 1 61 61 MET H H 1 8.74 . . 1 . . . . . . . . 758 1
78 . 1 1 64 64 ASN H H 1 6.94 . . 1 . . . . . . . . 758 1
79 . 1 1 65 65 ALA H H 1 8.78 . . 1 . . . . . . . . 758 1
80 . 1 1 66 66 VAL H H 1 7.72 . . 1 . . . . . . . . 758 1
81 . 1 1 67 67 SER H H 1 8.53 . . 1 . . . . . . . . 758 1
82 . 1 1 68 68 ASP H H 1 9.05 . . 1 . . . . . . . . 758 1
83 . 1 1 69 69 ASP H H 1 8.61 . . 1 . . . . . . . . 758 1
84 . 1 1 70 70 GLU H H 1 7.85 . . 1 . . . . . . . . 758 1
85 . 1 1 71 71 ALA H H 1 8.83 . . 1 . . . . . . . . 758 1
86 . 1 1 72 72 GLN H H 1 8.14 . . 1 . . . . . . . . 758 1
87 . 1 1 72 72 GLN HA H 1 3.99 . . 1 . . . . . . . . 758 1
88 . 1 1 72 72 GLN HB2 H 1 2.38 . . 2 . . . . . . . . 758 1
89 . 1 1 72 72 GLN HB3 H 1 2.22 . . 2 . . . . . . . . 758 1
90 . 1 1 72 72 GLN HG2 H 1 2.53 . . 1 . . . . . . . . 758 1
91 . 1 1 72 72 GLN HG3 H 1 2.53 . . 1 . . . . . . . . 758 1
92 . 1 1 73 73 THR H H 1 8.21 . . 1 . . . . . . . . 758 1
93 . 1 1 74 74 LEU H H 1 8.66 . . 1 . . . . . . . . 758 1
94 . 1 1 75 75 ALA H H 1 8.8 . . 1 . . . . . . . . 758 1
95 . 1 1 76 76 LYS H H 1 8.2 . . 1 . . . . . . . . 758 1
96 . 1 1 77 77 TRP H H 1 7.83 . . 1 . . . . . . . . 758 1
97 . 1 1 78 78 VAL H H 1 9.27 . . 1 . . . . . . . . 758 1
98 . 1 1 79 79 LEU H H 1 7.71 . . 1 . . . . . . . . 758 1
99 . 1 1 80 80 SER H H 1 7.47 . . 1 . . . . . . . . 758 1
100 . 1 1 80 80 SER HB2 H 1 4.01 . . 2 . . . . . . . . 758 1
101 . 1 1 80 80 SER HB3 H 1 3.96 . . 2 . . . . . . . . 758 1
102 . 1 1 81 81 GLN H H 1 7.17 . . 1 . . . . . . . . 758 1
103 . 1 1 82 82 LYS H H 1 7.88 . . 1 . . . . . . . . 758 1
104 . 1 1 82 82 LYS HA H 1 4.18 . . 1 . . . . . . . . 758 1
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save_