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 2077
_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 . 2077 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 4 4 SER HA H 1 4.67 . . 1 . . . . . . . . 2077 1
2 . 1 1 4 4 SER HB2 H 1 4 . . 1 . . . . . . . . 2077 1
3 . 1 1 4 4 SER HB3 H 1 4 . . 1 . . . . . . . . 2077 1
4 . 1 1 6 6 CYS HA H 1 4.52 . . 1 . . . . . . . . 2077 1
5 . 1 1 6 6 CYS HB2 H 1 3.02 . . 2 . . . . . . . . 2077 1
6 . 1 1 6 6 CYS HB3 H 1 2.89 . . 2 . . . . . . . . 2077 1
7 . 1 1 7 7 PRO HA H 1 4.42 . . 1 . . . . . . . . 2077 1
8 . 1 1 7 7 PRO HB2 H 1 1.9 . . 2 . . . . . . . . 2077 1
9 . 1 1 7 7 PRO HB3 H 1 2.25 . . 2 . . . . . . . . 2077 1
10 . 1 1 7 7 PRO HG2 H 1 1.7 . . 2 . . . . . . . . 2077 1
11 . 1 1 7 7 PRO HG3 H 1 1.81 . . 2 . . . . . . . . 2077 1
12 . 1 1 7 7 PRO HD2 H 1 3.49 . . 2 . . . . . . . . 2077 1
13 . 1 1 7 7 PRO HD3 H 1 3.06 . . 2 . . . . . . . . 2077 1
14 . 1 1 8 8 LEU HA H 1 4.15 . . 1 . . . . . . . . 2077 1
15 . 1 1 8 8 LEU HB2 H 1 1.65 . . 1 . . . . . . . . 2077 1
16 . 1 1 8 8 LEU HB3 H 1 1.65 . . 1 . . . . . . . . 2077 1
17 . 1 1 8 8 LEU HG H 1 1.58 . . 1 . . . . . . . . 2077 1
18 . 1 1 8 8 LEU HD11 H 1 .87 . . 1 . . . . . . . . 2077 1
19 . 1 1 8 8 LEU HD12 H 1 .87 . . 1 . . . . . . . . 2077 1
20 . 1 1 8 8 LEU HD13 H 1 .87 . . 1 . . . . . . . . 2077 1
21 . 1 1 8 8 LEU HD21 H 1 .87 . . 1 . . . . . . . . 2077 1
22 . 1 1 8 8 LEU HD22 H 1 .87 . . 1 . . . . . . . . 2077 1
23 . 1 1 8 8 LEU HD23 H 1 .87 . . 1 . . . . . . . . 2077 1
24 . 1 1 9 9 SER HA H 1 4.24 . . 1 . . . . . . . . 2077 1
25 . 1 1 9 9 SER HB2 H 1 3.89 . . 1 . . . . . . . . 2077 1
26 . 1 1 9 9 SER HB3 H 1 3.89 . . 1 . . . . . . . . 2077 1
27 . 1 1 13 13 TYR HA H 1 4.36 . . 1 . . . . . . . . 2077 1
28 . 1 1 13 13 TYR HB2 H 1 3 . . 1 . . . . . . . . 2077 1
29 . 1 1 13 13 TYR HB3 H 1 3 . . 1 . . . . . . . . 2077 1
30 . 1 1 13 13 TYR HD1 H 1 7 . . 1 . . . . . . . . 2077 1
31 . 1 1 13 13 TYR HD2 H 1 7 . . 1 . . . . . . . . 2077 1
32 . 1 1 13 13 TYR HE1 H 1 6.63 . . 1 . . . . . . . . 2077 1
33 . 1 1 13 13 TYR HE2 H 1 6.63 . . 1 . . . . . . . . 2077 1
34 . 1 1 14 14 CYS HA H 1 4.71 . . 1 . . . . . . . . 2077 1
35 . 1 1 14 14 CYS HB2 H 1 2.61 . . 2 . . . . . . . . 2077 1
36 . 1 1 14 14 CYS HB3 H 1 2.5 . . 2 . . . . . . . . 2077 1
37 . 1 1 15 15 LEU HA H 1 4.22 . . 1 . . . . . . . . 2077 1
38 . 1 1 15 15 LEU HB2 H 1 .83 . . 2 . . . . . . . . 2077 1
39 . 1 1 15 15 LEU HB3 H 1 1.53 . . 2 . . . . . . . . 2077 1
40 . 1 1 15 15 LEU HG H 1 1.64 . . 1 . . . . . . . . 2077 1
41 . 1 1 15 15 LEU HD11 H 1 .7 . . 2 . . . . . . . . 2077 1
42 . 1 1 15 15 LEU HD12 H 1 .7 . . 2 . . . . . . . . 2077 1
43 . 1 1 15 15 LEU HD13 H 1 .7 . . 2 . . . . . . . . 2077 1
44 . 1 1 15 15 LEU HD21 H 1 .75 . . 2 . . . . . . . . 2077 1
45 . 1 1 15 15 LEU HD22 H 1 .75 . . 2 . . . . . . . . 2077 1
46 . 1 1 15 15 LEU HD23 H 1 .75 . . 2 . . . . . . . . 2077 1
47 . 1 1 16 16 HIS HA H 1 3.93 . . 1 . . . . . . . . 2077 1
48 . 1 1 16 16 HIS HB2 H 1 2.47 . . 2 . . . . . . . . 2077 1
49 . 1 1 16 16 HIS HB3 H 1 2.29 . . 2 . . . . . . . . 2077 1
50 . 1 1 16 16 HIS HD2 H 1 7.45 . . 1 . . . . . . . . 2077 1
51 . 1 1 16 16 HIS HE1 H 1 8.58 . . 1 . . . . . . . . 2077 1
52 . 1 1 18 18 GLY HA2 H 1 3.5 . . 2 . . . . . . . . 2077 1
53 . 1 1 18 18 GLY HA3 H 1 4.34 . . 2 . . . . . . . . 2077 1
54 . 1 1 20 20 CYS HA H 1 4.99 . . 1 . . . . . . . . 2077 1
55 . 1 1 20 20 CYS HB2 H 1 3.29 . . 2 . . . . . . . . 2077 1
56 . 1 1 20 20 CYS HB3 H 1 3.09 . . 2 . . . . . . . . 2077 1
57 . 1 1 22 22 TYR HA H 1 4.56 . . 1 . . . . . . . . 2077 1
58 . 1 1 22 22 TYR HB2 H 1 2.68 . . 2 . . . . . . . . 2077 1
59 . 1 1 22 22 TYR HB3 H 1 2.61 . . 2 . . . . . . . . 2077 1
60 . 1 1 22 22 TYR HD1 H 1 6.2 . . 1 . . . . . . . . 2077 1
61 . 1 1 22 22 TYR HD2 H 1 6.2 . . 1 . . . . . . . . 2077 1
62 . 1 1 22 22 TYR HE1 H 1 6.4 . . 1 . . . . . . . . 2077 1
63 . 1 1 22 22 TYR HE2 H 1 6.4 . . 1 . . . . . . . . 2077 1
64 . 1 1 24 24 GLU HA H 1 3.4 . . 1 . . . . . . . . 2077 1
65 . 1 1 24 24 GLU HB2 H 1 2.04 . . 1 . . . . . . . . 2077 1
66 . 1 1 24 24 GLU HB3 H 1 2.04 . . 1 . . . . . . . . 2077 1
67 . 1 1 24 24 GLU HG2 H 1 2.46 . . 2 . . . . . . . . 2077 1
68 . 1 1 24 24 GLU HG3 H 1 2.56 . . 2 . . . . . . . . 2077 1
69 . 1 1 29 29 TYR HA H 1 5.18 . . 1 . . . . . . . . 2077 1
70 . 1 1 29 29 TYR HB2 H 1 2.67 . . 2 . . . . . . . . 2077 1
71 . 1 1 29 29 TYR HB3 H 1 2.59 . . 2 . . . . . . . . 2077 1
72 . 1 1 29 29 TYR HD1 H 1 7.05 . . 1 . . . . . . . . 2077 1
73 . 1 1 29 29 TYR HD2 H 1 7.05 . . 1 . . . . . . . . 2077 1
74 . 1 1 29 29 TYR HE1 H 1 6.49 . . 1 . . . . . . . . 2077 1
75 . 1 1 29 29 TYR HE2 H 1 6.49 . . 1 . . . . . . . . 2077 1
76 . 1 1 30 30 ALA HA H 1 4.8 . . 1 . . . . . . . . 2077 1
77 . 1 1 30 30 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 2077 1
78 . 1 1 30 30 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 2077 1
79 . 1 1 30 30 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 2077 1
80 . 1 1 31 31 CYS HA H 1 5.28 . . 1 . . . . . . . . 2077 1
81 . 1 1 31 31 CYS HB2 H 1 2.72 . . 2 . . . . . . . . 2077 1
82 . 1 1 31 31 CYS HB3 H 1 2.64 . . 2 . . . . . . . . 2077 1
83 . 1 1 36 36 GLY HA2 H 1 3.24 . . 2 . . . . . . . . 2077 1
84 . 1 1 36 36 GLY HA3 H 1 4.08 . . 2 . . . . . . . . 2077 1
85 . 1 1 39 39 GLY HA2 H 1 3.99 . . 2 . . . . . . . . 2077 1
86 . 1 1 39 39 GLY HA3 H 1 4.93 . . 2 . . . . . . . . 2077 1
87 . 1 1 40 40 GLU HA H 1 4.04 . . 1 . . . . . . . . 2077 1
88 . 1 1 40 40 GLU HB2 H 1 1.84 . . 2 . . . . . . . . 2077 1
89 . 1 1 40 40 GLU HB3 H 1 2.14 . . 2 . . . . . . . . 2077 1
90 . 1 1 40 40 GLU HG2 H 1 2.12 . . 2 . . . . . . . . 2077 1
91 . 1 1 40 40 GLU HG3 H 1 2.37 . . 2 . . . . . . . . 2077 1
92 . 1 1 41 41 HIS HA H 1 5.31 . . 1 . . . . . . . . 2077 1
93 . 1 1 41 41 HIS HB2 H 1 3.4 . . 2 . . . . . . . . 2077 1
94 . 1 1 41 41 HIS HB3 H 1 2.6 . . 2 . . . . . . . . 2077 1
95 . 1 1 41 41 HIS HD2 H 1 7.01 . . 1 . . . . . . . . 2077 1
96 . 1 1 41 41 HIS HE1 H 1 8.05 . . 1 . . . . . . . . 2077 1
97 . 1 1 42 42 CYS HA H 1 4.07 . . 1 . . . . . . . . 2077 1
98 . 1 1 42 42 CYS HB2 H 1 3.5 . . 2 . . . . . . . . 2077 1
99 . 1 1 42 42 CYS HB3 H 1 3.22 . . 2 . . . . . . . . 2077 1
100 . 1 1 43 43 GLN HA H 1 4.24 . . 1 . . . . . . . . 2077 1
101 . 1 1 43 43 GLN HB2 H 1 1.61 . . 2 . . . . . . . . 2077 1
102 . 1 1 43 43 GLN HB3 H 1 1.97 . . 2 . . . . . . . . 2077 1
103 . 1 1 43 43 GLN HG2 H 1 .99 . . 2 . . . . . . . . 2077 1
104 . 1 1 43 43 GLN HG3 H 1 2.08 . . 2 . . . . . . . . 2077 1
105 . 1 1 43 43 GLN HE21 H 1 7.42 . . 2 . . . . . . . . 2077 1
106 . 1 1 43 43 GLN HE22 H 1 6.95 . . 2 . . . . . . . . 2077 1
107 . 1 1 44 44 TYR HA H 1 5.27 . . 1 . . . . . . . . 2077 1
108 . 1 1 44 44 TYR HB2 H 1 3.15 . . 2 . . . . . . . . 2077 1
109 . 1 1 44 44 TYR HB3 H 1 2.75 . . 2 . . . . . . . . 2077 1
110 . 1 1 44 44 TYR HD1 H 1 7.13 . . 1 . . . . . . . . 2077 1
111 . 1 1 44 44 TYR HD2 H 1 7.13 . . 1 . . . . . . . . 2077 1
112 . 1 1 44 44 TYR HE1 H 1 6.94 . . 1 . . . . . . . . 2077 1
113 . 1 1 44 44 TYR HE2 H 1 6.94 . . 1 . . . . . . . . 2077 1
stop_
save_