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 2858
_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 . 2858 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 8 8 LEU HG H 1 1.47 . . 1 . . . . . . . . 2858 1
2 . 1 1 8 8 LEU HD11 H 1 .57 . . 2 . . . . . . . . 2858 1
3 . 1 1 8 8 LEU HD12 H 1 .57 . . 2 . . . . . . . . 2858 1
4 . 1 1 8 8 LEU HD13 H 1 .57 . . 2 . . . . . . . . 2858 1
5 . 1 1 8 8 LEU HD21 H 1 .01 . . 2 . . . . . . . . 2858 1
6 . 1 1 8 8 LEU HD22 H 1 .01 . . 2 . . . . . . . . 2858 1
7 . 1 1 8 8 LEU HD23 H 1 .01 . . 2 . . . . . . . . 2858 1
8 . 1 1 12 12 MET HE1 H 1 1.66 . . 1 . . . . . . . . 2858 1
9 . 1 1 12 12 MET HE2 H 1 1.66 . . 1 . . . . . . . . 2858 1
10 . 1 1 12 12 MET HE3 H 1 1.66 . . 1 . . . . . . . . 2858 1
11 . 1 1 15 15 HIS HD2 H 1 7.23 . . 1 . . . . . . . . 2858 1
12 . 1 1 15 15 HIS HE1 H 1 8.34 . . 1 . . . . . . . . 2858 1
13 . 1 1 17 17 LEU HG H 1 .68 . . 1 . . . . . . . . 2858 1
14 . 1 1 17 17 LEU HD11 H 1 .1 . . 2 . . . . . . . . 2858 1
15 . 1 1 17 17 LEU HD12 H 1 .1 . . 2 . . . . . . . . 2858 1
16 . 1 1 17 17 LEU HD13 H 1 .1 . . 2 . . . . . . . . 2858 1
17 . 1 1 17 17 LEU HD21 H 1 .63 . . 2 . . . . . . . . 2858 1
18 . 1 1 17 17 LEU HD22 H 1 .63 . . 2 . . . . . . . . 2858 1
19 . 1 1 17 17 LEU HD23 H 1 .63 . . 2 . . . . . . . . 2858 1
20 . 1 1 20 20 TYR HD1 H 1 6.98 . . 1 . . . . . . . . 2858 1
21 . 1 1 20 20 TYR HD2 H 1 6.98 . . 1 . . . . . . . . 2858 1
22 . 1 1 20 20 TYR HE1 H 1 7.24 . . 1 . . . . . . . . 2858 1
23 . 1 1 20 20 TYR HE2 H 1 7.24 . . 1 . . . . . . . . 2858 1
24 . 1 1 23 23 TYR HD1 H 1 6.71 . . 1 . . . . . . . . 2858 1
25 . 1 1 23 23 TYR HD2 H 1 6.71 . . 1 . . . . . . . . 2858 1
26 . 1 1 23 23 TYR HE1 H 1 7.05 . . 1 . . . . . . . . 2858 1
27 . 1 1 23 23 TYR HE2 H 1 7.05 . . 1 . . . . . . . . 2858 1
28 . 1 1 28 28 TRP HD1 H 1 7.3 . . 1 . . . . . . . . 2858 1
29 . 1 1 28 28 TRP HE1 H 1 9.36 . . 1 . . . . . . . . 2858 1
30 . 1 1 28 28 TRP HE3 H 1 6.76 . . 1 . . . . . . . . 2858 1
31 . 1 1 28 28 TRP HZ2 H 1 7.77 . . 1 . . . . . . . . 2858 1
32 . 1 1 28 28 TRP HZ3 H 1 6.28 . . 1 . . . . . . . . 2858 1
33 . 1 1 28 28 TRP HH2 H 1 6.85 . . 1 . . . . . . . . 2858 1
34 . 1 1 51 51 THR HB H 1 3.76 . . 1 . . . . . . . . 2858 1
35 . 1 1 51 51 THR HG21 H 1 .32 . . 1 . . . . . . . . 2858 1
36 . 1 1 51 51 THR HG22 H 1 .32 . . 1 . . . . . . . . 2858 1
37 . 1 1 51 51 THR HG23 H 1 .32 . . 1 . . . . . . . . 2858 1
38 . 1 1 53 53 TYR HD1 H 1 6.83 . . 1 . . . . . . . . 2858 1
39 . 1 1 53 53 TYR HD2 H 1 6.83 . . 1 . . . . . . . . 2858 1
40 . 1 1 53 53 TYR HE1 H 1 7.09 . . 1 . . . . . . . . 2858 1
41 . 1 1 53 53 TYR HE2 H 1 7.09 . . 1 . . . . . . . . 2858 1
42 . 1 1 56 56 LEU HG H 1 1.22 . . 1 . . . . . . . . 2858 1
43 . 1 1 56 56 LEU HD11 H 1 .53 . . 2 . . . . . . . . 2858 1
44 . 1 1 56 56 LEU HD12 H 1 .53 . . 2 . . . . . . . . 2858 1
45 . 1 1 56 56 LEU HD13 H 1 .53 . . 2 . . . . . . . . 2858 1
46 . 1 1 56 56 LEU HD21 H 1 .28 . . 2 . . . . . . . . 2858 1
47 . 1 1 56 56 LEU HD22 H 1 .28 . . 2 . . . . . . . . 2858 1
48 . 1 1 56 56 LEU HD23 H 1 .28 . . 2 . . . . . . . . 2858 1
49 . 1 1 62 62 TRP HB2 H 1 1.89 . . 1 . . . . . . . . 2858 1
50 . 1 1 62 62 TRP HB3 H 1 1.89 . . 1 . . . . . . . . 2858 1
51 . 1 1 62 62 TRP HD1 H 1 7.03 . . 1 . . . . . . . . 2858 1
52 . 1 1 62 62 TRP HE1 H 1 10 . . 1 . . . . . . . . 2858 1
53 . 1 1 62 62 TRP HE3 H 1 7.2 . . 1 . . . . . . . . 2858 1
54 . 1 1 62 62 TRP HH2 H 1 7.05 . . 1 . . . . . . . . 2858 1
55 . 1 1 63 63 TRP HB2 H 1 3.53 . . 2 . . . . . . . . 2858 1
56 . 1 1 63 63 TRP HB3 H 1 3.42 . . 2 . . . . . . . . 2858 1
57 . 1 1 63 63 TRP HD1 H 1 7.63 . . 1 . . . . . . . . 2858 1
58 . 1 1 63 63 TRP HE1 H 1 10.21 . . 1 . . . . . . . . 2858 1
59 . 1 1 63 63 TRP HE3 H 1 7.77 . . 1 . . . . . . . . 2858 1
60 . 1 1 63 63 TRP HZ3 H 1 7.08 . . 1 . . . . . . . . 2858 1
61 . 1 1 63 63 TRP HH2 H 1 7.46 . . 1 . . . . . . . . 2858 1
62 . 1 1 88 88 ILE HD11 H 1 .27 . . 1 . . . . . . . . 2858 1
63 . 1 1 88 88 ILE HD12 H 1 .27 . . 1 . . . . . . . . 2858 1
64 . 1 1 88 88 ILE HD13 H 1 .27 . . 1 . . . . . . . . 2858 1
65 . 1 1 92 92 VAL HB H 1 1.92 . . 1 . . . . . . . . 2858 1
66 . 1 1 92 92 VAL HG11 H 1 .6 . . 2 . . . . . . . . 2858 1
67 . 1 1 92 92 VAL HG12 H 1 .6 . . 2 . . . . . . . . 2858 1
68 . 1 1 92 92 VAL HG13 H 1 .6 . . 2 . . . . . . . . 2858 1
69 . 1 1 92 92 VAL HG21 H 1 .48 . . 2 . . . . . . . . 2858 1
70 . 1 1 92 92 VAL HG22 H 1 .48 . . 2 . . . . . . . . 2858 1
71 . 1 1 92 92 VAL HG23 H 1 .48 . . 2 . . . . . . . . 2858 1
72 . 1 1 98 98 ILE HA H 1 2.82 . . 1 . . . . . . . . 2858 1
73 . 1 1 98 98 ILE HB H 1 1.52 . . 1 . . . . . . . . 2858 1
74 . 1 1 98 98 ILE HG12 H 1 .72 . . 2 . . . . . . . . 2858 1
75 . 1 1 98 98 ILE HG13 H 1 2.03 . . 2 . . . . . . . . 2858 1
76 . 1 1 98 98 ILE HG21 H 1 -.25 . . 1 . . . . . . . . 2858 1
77 . 1 1 98 98 ILE HG22 H 1 -.25 . . 1 . . . . . . . . 2858 1
78 . 1 1 98 98 ILE HG23 H 1 -.25 . . 1 . . . . . . . . 2858 1
79 . 1 1 98 98 ILE HD11 H 1 -.01 . . 1 . . . . . . . . 2858 1
80 . 1 1 98 98 ILE HD12 H 1 -.01 . . 1 . . . . . . . . 2858 1
81 . 1 1 98 98 ILE HD13 H 1 -.01 . . 1 . . . . . . . . 2858 1
82 . 1 1 105 105 MET HA H 1 3.82 . . 1 . . . . . . . . 2858 1
83 . 1 1 105 105 MET HB2 H 1 -.91 . . 1 . . . . . . . . 2858 1
84 . 1 1 105 105 MET HB3 H 1 -.91 . . 1 . . . . . . . . 2858 1
85 . 1 1 105 105 MET HE1 H 1 0 . . 1 . . . . . . . . 2858 1
86 . 1 1 105 105 MET HE2 H 1 0 . . 1 . . . . . . . . 2858 1
87 . 1 1 105 105 MET HE3 H 1 0 . . 1 . . . . . . . . 2858 1
88 . 1 1 107 107 ALA HA H 1 3.87 . . 1 . . . . . . . . 2858 1
89 . 1 1 107 107 ALA HB1 H 1 .64 . . 1 . . . . . . . . 2858 1
90 . 1 1 107 107 ALA HB2 H 1 .64 . . 1 . . . . . . . . 2858 1
91 . 1 1 107 107 ALA HB3 H 1 .64 . . 1 . . . . . . . . 2858 1
92 . 1 1 108 108 TRP HD1 H 1 7.08 . . 1 . . . . . . . . 2858 1
93 . 1 1 108 108 TRP HE1 H 1 9.98 . . 1 . . . . . . . . 2858 1
94 . 1 1 108 108 TRP HZ3 H 1 6.49 . . 1 . . . . . . . . 2858 1
95 . 1 1 109 109 VAL HB H 1 2.19 . . 1 . . . . . . . . 2858 1
96 . 1 1 109 109 VAL HG11 H 1 1.14 . . 2 . . . . . . . . 2858 1
97 . 1 1 109 109 VAL HG12 H 1 1.14 . . 2 . . . . . . . . 2858 1
98 . 1 1 109 109 VAL HG13 H 1 1.14 . . 2 . . . . . . . . 2858 1
99 . 1 1 109 109 VAL HG21 H 1 1.03 . . 2 . . . . . . . . 2858 1
100 . 1 1 109 109 VAL HG22 H 1 1.03 . . 2 . . . . . . . . 2858 1
101 . 1 1 109 109 VAL HG23 H 1 1.03 . . 2 . . . . . . . . 2858 1
102 . 1 1 110 110 ALA HA H 1 4.31 . . 1 . . . . . . . . 2858 1
103 . 1 1 110 110 ALA HB1 H 1 1.38 . . 1 . . . . . . . . 2858 1
104 . 1 1 110 110 ALA HB2 H 1 1.38 . . 1 . . . . . . . . 2858 1
105 . 1 1 110 110 ALA HB3 H 1 1.38 . . 1 . . . . . . . . 2858 1
106 . 1 1 111 111 TRP HD1 H 1 7.03 . . 1 . . . . . . . . 2858 1
107 . 1 1 111 111 TRP HE1 H 1 10.35 . . 1 . . . . . . . . 2858 1
108 . 1 1 123 123 TRP HD1 H 1 7.55 . . 1 . . . . . . . . 2858 1
109 . 1 1 123 123 TRP HE1 H 1 10.68 . . 1 . . . . . . . . 2858 1
stop_
save_