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 507
_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 . 507 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 LEU CA C 13 53 . . 1 . . . . . . . . 507 1
2 . 1 1 1 1 LEU CD1 C 13 23 . . 2 . . . . . . . . 507 1
3 . 1 1 1 1 LEU CD2 C 13 22.5 . . 2 . . . . . . . . 507 1
4 . 1 1 2 2 ALA CA C 13 50.8 . . 1 . . . . . . . . 507 1
5 . 1 1 2 2 ALA CB C 13 17.9 . . 1 . . . . . . . . 507 1
6 . 1 1 3 3 ALA CA C 13 50.9 . . 1 . . . . . . . . 507 1
7 . 1 1 3 3 ALA CB C 13 17.9 . . 1 . . . . . . . . 507 1
8 . 1 1 4 4 VAL CA C 13 60.7 . . 1 . . . . . . . . 507 1
9 . 1 1 4 4 VAL CG1 C 13 18.8 . . 2 . . . . . . . . 507 1
10 . 1 1 4 4 VAL CG2 C 13 20.1 . . 2 . . . . . . . . 507 1
11 . 1 1 5 5 SER CA C 13 56.2 . . 1 . . . . . . . . 507 1
12 . 1 1 5 5 SER CB C 13 63 . . 1 . . . . . . . . 507 1
13 . 1 1 6 6 VAL CA C 13 60 . . 1 . . . . . . . . 507 1
14 . 1 1 6 6 VAL CG1 C 13 20.2 . . 2 . . . . . . . . 507 1
15 . 1 1 6 6 VAL CG2 C 13 20.7 . . 2 . . . . . . . . 507 1
16 . 1 1 7 7 ASP CA C 13 51.8 . . 1 . . . . . . . . 507 1
17 . 1 1 7 7 ASP CB C 13 39.3 . . 1 . . . . . . . . 507 1
18 . 1 1 8 8 CYS CA C 13 50.3 . . 1 . . . . . . . . 507 1
19 . 1 1 9 9 SER CA C 13 59.5 . . 1 . . . . . . . . 507 1
20 . 1 1 9 9 SER CB C 13 61.7 . . 1 . . . . . . . . 507 1
21 . 1 1 10 10 GLU CA C 13 54.7 . . 1 . . . . . . . . 507 1
22 . 1 1 10 10 GLU CG C 13 32.7 . . 1 . . . . . . . . 507 1
23 . 1 1 11 11 TYR CA C 13 56.2 . . 1 . . . . . . . . 507 1
24 . 1 1 12 12 PRO CA C 13 60.7 . . 1 . . . . . . . . 507 1
25 . 1 1 12 12 PRO CD C 13 50.1 . . 1 . . . . . . . . 507 1
26 . 1 1 13 13 LYS CA C 13 51.9 . . 1 . . . . . . . . 507 1
27 . 1 1 13 13 LYS CE C 13 40.3 . . 1 . . . . . . . . 507 1
28 . 1 1 14 14 PRO CA C 13 62.7 . . 1 . . . . . . . . 507 1
29 . 1 1 14 14 PRO CD C 13 49.3 . . 1 . . . . . . . . 507 1
30 . 1 1 15 15 ALA CA C 13 49.7 . . 1 . . . . . . . . 507 1
31 . 1 1 15 15 ALA CB C 13 19.7 . . 1 . . . . . . . . 507 1
32 . 1 1 16 16 CYS CA C 13 50.6 . . 1 . . . . . . . . 507 1
33 . 1 1 16 16 CYS CB C 13 38.7 . . 1 . . . . . . . . 507 1
34 . 1 1 17 17 THR CA C 13 60 . . 1 . . . . . . . . 507 1
35 . 1 1 17 17 THR CB C 13 68 . . 1 . . . . . . . . 507 1
36 . 1 1 17 17 THR CG2 C 13 20.1 . . 1 . . . . . . . . 507 1
37 . 1 1 18 18 LEU CA C 13 52.1 . . 1 . . . . . . . . 507 1
38 . 1 1 18 18 LEU CD1 C 13 21.5 . . 2 . . . . . . . . 507 1
39 . 1 1 18 18 LEU CD2 C 13 23.7 . . 2 . . . . . . . . 507 1
40 . 1 1 19 19 GLU CA C 13 55.8 . . 1 . . . . . . . . 507 1
41 . 1 1 19 19 GLU CG C 13 33.3 . . 1 . . . . . . . . 507 1
42 . 1 1 20 20 TYR CA C 13 55.8 . . 1 . . . . . . . . 507 1
43 . 1 1 20 20 TYR CB C 13 37.3 . . 1 . . . . . . . . 507 1
44 . 1 1 21 21 ARG CA C 13 56.4 . . 1 . . . . . . . . 507 1
45 . 1 1 21 21 ARG CD C 13 42 . . 1 . . . . . . . . 507 1
46 . 1 1 22 22 PRO CA C 13 61.7 . . 1 . . . . . . . . 507 1
47 . 1 1 22 22 PRO CD C 13 48.1 . . 1 . . . . . . . . 507 1
48 . 1 1 23 23 LEU CA C 13 53.8 . . 1 . . . . . . . . 507 1
49 . 1 1 23 23 LEU CD1 C 13 24.2 . . 2 . . . . . . . . 507 1
50 . 1 1 23 23 LEU CD2 C 13 24.4 . . 2 . . . . . . . . 507 1
51 . 1 1 24 24 CYS CA C 13 53.1 . . 1 . . . . . . . . 507 1
52 . 1 1 24 24 CYS CB C 13 37.3 . . 1 . . . . . . . . 507 1
53 . 1 1 26 26 SER CA C 13 59.5 . . 1 . . . . . . . . 507 1
54 . 1 1 26 26 SER CB C 13 60.7 . . 1 . . . . . . . . 507 1
55 . 1 1 27 27 ASP CA C 13 51.7 . . 1 . . . . . . . . 507 1
56 . 1 1 27 27 ASP CB C 13 38.2 . . 1 . . . . . . . . 507 1
57 . 1 1 28 28 ASN CA C 13 53.3 . . 1 . . . . . . . . 507 1
58 . 1 1 28 28 ASN CB C 13 36.3 . . 1 . . . . . . . . 507 1
59 . 1 1 29 29 LYS CE C 13 40.7 . . 1 . . . . . . . . 507 1
60 . 1 1 30 30 THR CA C 13 61.2 . . 1 . . . . . . . . 507 1
61 . 1 1 30 30 THR CB C 13 67.6 . . 1 . . . . . . . . 507 1
62 . 1 1 30 30 THR CG2 C 13 22.2 . . 1 . . . . . . . . 507 1
63 . 1 1 32 32 GLY CA C 13 46.4 . . 1 . . . . . . . . 507 1
64 . 1 1 33 33 ASN CA C 13 50.6 . . 1 . . . . . . . . 507 1
65 . 1 1 33 33 ASN CB C 13 37.5 . . 1 . . . . . . . . 507 1
66 . 1 1 34 34 LYS CA C 13 58.7 . . 1 . . . . . . . . 507 1
67 . 1 1 34 34 LYS CE C 13 40.9 . . 1 . . . . . . . . 507 1
68 . 1 1 35 35 CYS CB C 13 35.2 . . 1 . . . . . . . . 507 1
69 . 1 1 36 36 ASN CB C 13 39.2 . . 1 . . . . . . . . 507 1
70 . 1 1 37 37 PHE CA C 13 59.7 . . 1 . . . . . . . . 507 1
71 . 1 1 37 37 PHE CB C 13 39.1 . . 1 . . . . . . . . 507 1
72 . 1 1 38 38 CYS CA C 13 54.1 . . 1 . . . . . . . . 507 1
73 . 1 1 39 39 ASN CA C 13 54.3 . . 1 . . . . . . . . 507 1
74 . 1 1 40 40 ALA CA C 13 53.4 . . 1 . . . . . . . . 507 1
75 . 1 1 40 40 ALA CB C 13 17.1 . . 1 . . . . . . . . 507 1
76 . 1 1 41 41 VAL CA C 13 65.4 . . 1 . . . . . . . . 507 1
77 . 1 1 41 41 VAL CG1 C 13 19.4 . . 2 . . . . . . . . 507 1
78 . 1 1 41 41 VAL CG2 C 13 21.1 . . 2 . . . . . . . . 507 1
79 . 1 1 42 42 VAL CA C 13 64.4 . . 1 . . . . . . . . 507 1
80 . 1 1 42 42 VAL CG1 C 13 19.4 . . 2 . . . . . . . . 507 1
81 . 1 1 42 42 VAL CG2 C 13 20.1 . . 2 . . . . . . . . 507 1
82 . 1 1 43 43 GLU CA C 13 55.8 . . 1 . . . . . . . . 507 1
83 . 1 1 43 43 GLU CG C 13 31.6 . . 1 . . . . . . . . 507 1
84 . 1 1 44 44 SER CA C 13 57.7 . . 1 . . . . . . . . 507 1
85 . 1 1 44 44 SER CB C 13 62.9 . . 1 . . . . . . . . 507 1
86 . 1 1 45 45 ASN CA C 13 52.7 . . 1 . . . . . . . . 507 1
87 . 1 1 45 45 ASN CB C 13 35.7 . . 1 . . . . . . . . 507 1
88 . 1 1 46 46 GLY CA C 13 44.2 . . 1 . . . . . . . . 507 1
89 . 1 1 47 47 THR CA C 13 61.7 . . 1 . . . . . . . . 507 1
90 . 1 1 47 47 THR CB C 13 68.4 . . 1 . . . . . . . . 507 1
91 . 1 1 47 47 THR CG2 C 13 20 . . 1 . . . . . . . . 507 1
92 . 1 1 48 48 LEU CA C 13 53.7 . . 1 . . . . . . . . 507 1
93 . 1 1 48 48 LEU CD1 C 13 21.5 . . 2 . . . . . . . . 507 1
94 . 1 1 48 48 LEU CD2 C 13 24.6 . . 2 . . . . . . . . 507 1
95 . 1 1 49 49 THR CA C 13 57.8 . . 1 . . . . . . . . 507 1
96 . 1 1 49 49 THR CB C 13 70.2 . . 1 . . . . . . . . 507 1
97 . 1 1 49 49 THR CG2 C 13 19.8 . . 1 . . . . . . . . 507 1
98 . 1 1 50 50 LEU CA C 13 53.4 . . 1 . . . . . . . . 507 1
99 . 1 1 50 50 LEU CD1 C 13 22.8 . . 2 . . . . . . . . 507 1
100 . 1 1 50 50 LEU CD2 C 13 24.5 . . 2 . . . . . . . . 507 1
101 . 1 1 51 51 SER CA C 13 58.7 . . 1 . . . . . . . . 507 1
102 . 1 1 51 51 SER CB C 13 61.9 . . 1 . . . . . . . . 507 1
103 . 1 1 52 52 HIS CA C 13 53.2 . . 1 . . . . . . . . 507 1
104 . 1 1 53 53 PHE CA C 13 59 . . 1 . . . . . . . . 507 1
105 . 1 1 53 53 PHE CB C 13 38.2 . . 1 . . . . . . . . 507 1
106 . 1 1 54 54 GLY CA C 13 42.8 . . 1 . . . . . . . . 507 1
107 . 1 1 55 55 LYS CA C 13 54.6 . . 1 . . . . . . . . 507 1
108 . 1 1 55 55 LYS CE C 13 40.3 . . 1 . . . . . . . . 507 1
109 . 1 1 56 56 CYS CA C 13 53.3 . . 1 . . . . . . . . 507 1
110 . 1 1 56 56 CYS CB C 13 36.6 . . 1 . . . . . . . . 507 1
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save_