Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30852
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_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 '2D 1H-1H TOCSY' . . . 30852 1
2 '1D 1H' . . . 30852 1
3 '2D 1H-1H NOESY' . . . 30852 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_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 GLY H H 1 8.947 0.000 . . . . . . A 2 GLY H . 30852 1
2 . 1 . 1 2 2 GLY HA2 H 1 4.296 0.000 . . . . . . A 2 GLY HA2 . 30852 1
3 . 1 . 1 2 2 GLY HA3 H 1 3.710 0.000 . . . . . . A 2 GLY HA3 . 30852 1
4 . 1 . 1 3 3 ALA H H 1 7.910 0.000 . . . . . . A 3 ALA H . 30852 1
5 . 1 . 1 3 3 ALA HA H 1 4.553 0.000 . . . . . . A 3 ALA HA . 30852 1
6 . 1 . 1 3 3 ALA HB1 H 1 1.026 0.000 . . . . . . A 3 ALA HB1 . 30852 1
7 . 1 . 1 3 3 ALA HB2 H 1 1.026 0.000 . . . . . . A 3 ALA HB2 . 30852 1
8 . 1 . 1 3 3 ALA HB3 H 1 1.026 0.000 . . . . . . A 3 ALA HB3 . 30852 1
9 . 1 . 1 4 4 GLY H H 1 7.497 0.000 . . . . . . A 4 GLY H . 30852 1
10 . 1 . 1 4 4 GLY HA2 H 1 4.166 0.000 . . . . . . A 4 GLY HA2 . 30852 1
11 . 1 . 1 4 4 GLY HA3 H 1 3.515 0.000 . . . . . . A 4 GLY HA3 . 30852 1
12 . 1 . 1 5 5 HIS H H 1 8.322 0.000 . . . . . . A 5 HIS H . 30852 1
13 . 1 . 1 5 5 HIS HA H 1 4.396 0.000 . . . . . . A 5 HIS HA . 30852 1
14 . 1 . 1 5 5 HIS HB2 H 1 3.051 0.000 . . . . . . A 5 HIS HB2 . 30852 1
15 . 1 . 1 5 5 HIS HB3 H 1 3.051 0.000 . . . . . . A 5 HIS HB3 . 30852 1
16 . 1 . 1 5 5 HIS HD2 H 1 7.159 0.000 . . . . . . A 5 HIS HD2 . 30852 1
17 . 1 . 1 5 5 HIS HE1 H 1 8.477 0.000 . . . . . . A 5 HIS HE1 . 30852 1
18 . 1 . 1 6 6 VAL H H 1 8.399 0.000 . . . . . . A 6 VAL H . 30852 1
19 . 1 . 1 6 6 VAL HA H 1 4.514 0.000 . . . . . . A 6 VAL HA . 30852 1
20 . 1 . 1 6 6 VAL HB H 1 1.771 0.000 . . . . . . A 6 VAL HB . 30852 1
21 . 1 . 1 6 6 VAL HG11 H 1 0.908 0.000 . . . . . . A 6 VAL HG11 . 30852 1
22 . 1 . 1 6 6 VAL HG12 H 1 0.908 0.000 . . . . . . A 6 VAL HG12 . 30852 1
23 . 1 . 1 6 6 VAL HG13 H 1 0.908 0.000 . . . . . . A 6 VAL HG13 . 30852 1
24 . 1 . 1 6 6 VAL HG21 H 1 0.673 0.000 . . . . . . A 6 VAL HG21 . 30852 1
25 . 1 . 1 6 6 VAL HG22 H 1 0.673 0.000 . . . . . . A 6 VAL HG22 . 30852 1
26 . 1 . 1 6 6 VAL HG23 H 1 0.673 0.000 . . . . . . A 6 VAL HG23 . 30852 1
27 . 1 . 1 7 7 PRO HA H 1 3.974 0.000 . . . . . . A 7 PRO HA . 30852 1
28 . 1 . 1 7 7 PRO HB2 H 1 1.967 0.000 . . . . . . A 7 PRO HB2 . 30852 1
29 . 1 . 1 7 7 PRO HB3 H 1 1.829 0.000 . . . . . . A 7 PRO HB3 . 30852 1
30 . 1 . 1 7 7 PRO HG2 H 1 1.457 0.000 . . . . . . A 7 PRO HG2 . 30852 1
31 . 1 . 1 7 7 PRO HG3 H 1 1.457 0.000 . . . . . . A 7 PRO HG3 . 30852 1
32 . 1 . 1 7 7 PRO HD2 H 1 3.925 0.000 . . . . . . A 7 PRO HD2 . 30852 1
33 . 1 . 1 7 7 PRO HD3 H 1 3.646 0.000 . . . . . . A 7 PRO HD3 . 30852 1
34 . 1 . 1 8 8 GLU H H 1 7.713 0.000 . . . . . . A 8 GLU H . 30852 1
35 . 1 . 1 8 8 GLU HA H 1 3.906 0.000 . . . . . . A 8 GLU HA . 30852 1
36 . 1 . 1 8 8 GLU HB2 H 1 0.987 0.000 . . . . . . A 8 GLU HB2 . 30852 1
37 . 1 . 1 8 8 GLU HB3 H 1 0.987 0.000 . . . . . . A 8 GLU HB3 . 30852 1
38 . 1 . 1 8 8 GLU HG2 H 1 1.398 0.000 . . . . . . A 8 GLU HG2 . 30852 1
39 . 1 . 1 8 8 GLU HG3 H 1 1.320 0.000 . . . . . . A 8 GLU HG3 . 30852 1
40 . 1 . 1 9 9 TYR H H 1 7.648 0.000 . . . . . . A 9 TYR H . 30852 1
41 . 1 . 1 9 9 TYR HA H 1 4.416 0.000 . . . . . . A 9 TYR HA . 30852 1
42 . 1 . 1 9 9 TYR HB2 H 1 2.809 0.000 . . . . . . A 9 TYR HB2 . 30852 1
43 . 1 . 1 9 9 TYR HB3 H 1 2.711 0.000 . . . . . . A 9 TYR HB3 . 30852 1
44 . 1 . 1 9 9 TYR HD1 H 1 6.914 0.000 . . . . . . A 9 TYR HD1 . 30852 1
45 . 1 . 1 9 9 TYR HD2 H 1 6.914 0.000 . . . . . . A 9 TYR HD2 . 30852 1
46 . 1 . 1 9 9 TYR HE1 H 1 6.618 0.000 . . . . . . A 9 TYR HE1 . 30852 1
47 . 1 . 1 9 9 TYR HE2 H 1 6.618 0.000 . . . . . . A 9 TYR HE2 . 30852 1
48 . 1 . 1 10 10 PHE H H 1 7.957 0.000 . . . . . . A 10 PHE H . 30852 1
49 . 1 . 1 10 10 PHE HA H 1 4.416 0.000 . . . . . . A 10 PHE HA . 30852 1
50 . 1 . 1 10 10 PHE HB2 H 1 3.005 0.000 . . . . . . A 10 PHE HB2 . 30852 1
51 . 1 . 1 10 10 PHE HB3 H 1 2.809 0.000 . . . . . . A 10 PHE HB3 . 30852 1
52 . 1 . 1 10 10 PHE HD1 H 1 7.036 0.000 . . . . . . A 10 PHE HD1 . 30852 1
53 . 1 . 1 10 10 PHE HD2 H 1 7.036 0.000 . . . . . . A 10 PHE HD2 . 30852 1
54 . 1 . 1 10 10 PHE HE1 H 1 7.152 0.000 . . . . . . A 10 PHE HE1 . 30852 1
55 . 1 . 1 10 10 PHE HE2 H 1 7.152 0.000 . . . . . . A 10 PHE HE2 . 30852 1
56 . 1 . 1 10 10 PHE HZ H 1 7.090 0.000 . . . . . . A 10 PHE HZ . 30852 1
57 . 2 . 2 1 1 VAL HA H 1 3.770 0.000 . . . . . . B 11 VAL HA . 30852 1
58 . 2 . 2 1 1 VAL HB H 1 2.104 0.000 . . . . . . B 11 VAL HB . 30852 1
59 . 2 . 2 1 1 VAL HG11 H 1 0.889 0.000 . . . . . . B 11 VAL HG11 . 30852 1
60 . 2 . 2 1 1 VAL HG12 H 1 0.889 0.000 . . . . . . B 11 VAL HG12 . 30852 1
61 . 2 . 2 1 1 VAL HG13 H 1 0.889 0.000 . . . . . . B 11 VAL HG13 . 30852 1
62 . 2 . 2 1 1 VAL HG21 H 1 0.889 0.000 . . . . . . B 11 VAL HG21 . 30852 1
63 . 2 . 2 1 1 VAL HG22 H 1 0.889 0.000 . . . . . . B 11 VAL HG22 . 30852 1
64 . 2 . 2 1 1 VAL HG23 H 1 0.889 0.000 . . . . . . B 11 VAL HG23 . 30852 1
65 . 2 . 2 2 2 CYS H H 1 8.785 0.000 . . . . . . B 12 CYS H . 30852 1
66 . 2 . 2 2 2 CYS HA H 1 4.749 0.000 . . . . . . B 12 CYS HA . 30852 1
67 . 2 . 2 2 2 CYS HB2 H 1 2.966 0.000 . . . . . . B 12 CYS HB2 . 30852 1
68 . 2 . 2 2 2 CYS HB3 H 1 2.829 0.000 . . . . . . B 12 CYS HB3 . 30852 1
69 . 2 . 2 3 3 ILE H H 1 8.309 0.000 . . . . . . B 13 ILE H . 30852 1
70 . 2 . 2 3 3 ILE HA H 1 4.200 0.000 . . . . . . B 13 ILE HA . 30852 1
71 . 2 . 2 3 3 ILE HB H 1 1.673 0.000 . . . . . . B 13 ILE HB . 30852 1
72 . 2 . 2 3 3 ILE HG12 H 1 1.261 0.000 . . . . . . B 13 ILE HG12 . 30852 1
73 . 2 . 2 3 3 ILE HG13 H 1 1.006 0.000 . . . . . . B 13 ILE HG13 . 30852 1
74 . 2 . 2 3 3 ILE HG21 H 1 0.732 0.000 . . . . . . B 13 ILE HG21 . 30852 1
75 . 2 . 2 3 3 ILE HG22 H 1 0.732 0.000 . . . . . . B 13 ILE HG22 . 30852 1
76 . 2 . 2 3 3 ILE HG23 H 1 0.732 0.000 . . . . . . B 13 ILE HG23 . 30852 1
77 . 2 . 2 3 3 ILE HD11 H 1 0.732 0.000 . . . . . . B 13 ILE HD11 . 30852 1
78 . 2 . 2 3 3 ILE HD12 H 1 0.732 0.000 . . . . . . B 13 ILE HD12 . 30852 1
79 . 2 . 2 3 3 ILE HD13 H 1 0.732 0.000 . . . . . . B 13 ILE HD13 . 30852 1
80 . 2 . 2 4 4 GLY H H 1 8.214 0.000 . . . . . . B 14 GLY H . 30852 1
81 . 2 . 2 4 4 GLY HA2 H 1 3.946 0.000 . . . . . . B 14 GLY HA2 . 30852 1
82 . 2 . 2 4 4 GLY HA3 H 1 3.671 0.000 . . . . . . B 14 GLY HA3 . 30852 1
83 . 2 . 2 5 5 THR H H 1 7.805 0.000 . . . . . . B 15 THR H . 30852 1
84 . 2 . 2 5 5 THR HA H 1 4.220 0.000 . . . . . . B 15 THR HA . 30852 1
85 . 2 . 2 5 5 THR HG21 H 1 1.174 0.000 . . . . . . B 15 THR HG21 . 30852 1
86 . 2 . 2 5 5 THR HG22 H 1 1.174 0.000 . . . . . . B 15 THR HG22 . 30852 1
87 . 2 . 2 5 5 THR HG23 H 1 1.174 0.000 . . . . . . B 15 THR HG23 . 30852 1
88 . 2 . 2 6 6 PRO HA H 1 4.222 0.000 . . . . . . B 16 PRO HA . 30852 1
89 . 2 . 2 6 6 PRO HB2 H 1 2.241 0.000 . . . . . . B 16 PRO HB2 . 30852 1
90 . 2 . 2 6 6 PRO HB3 H 1 1.967 0.000 . . . . . . B 16 PRO HB3 . 30852 1
91 . 2 . 2 6 6 PRO HG2 H 1 1.869 0.000 . . . . . . B 16 PRO HG2 . 30852 1
92 . 2 . 2 6 6 PRO HG3 H 1 1.869 0.000 . . . . . . B 16 PRO HG3 . 30852 1
93 . 2 . 2 6 6 PRO HD2 H 1 3.817 0.000 . . . . . . B 16 PRO HD2 . 30852 1
94 . 2 . 2 6 6 PRO HD3 H 1 3.475 0.000 . . . . . . B 16 PRO HD3 . 30852 1
95 . 2 . 2 7 7 ILE H H 1 7.814 0.000 . . . . . . B 17 ILE H . 30852 1
96 . 2 . 2 7 7 ILE HA H 1 3.967 0.000 . . . . . . B 17 ILE HA . 30852 1
97 . 2 . 2 7 7 ILE HB H 1 1.947 0.000 . . . . . . B 17 ILE HB . 30852 1
98 . 2 . 2 7 7 ILE HG12 H 1 1.125 0.000 . . . . . . B 17 ILE HG12 . 30852 1
99 . 2 . 2 7 7 ILE HG21 H 1 0.713 0.000 . . . . . . B 17 ILE HG21 . 30852 1
100 . 2 . 2 7 7 ILE HG22 H 1 0.713 0.000 . . . . . . B 17 ILE HG22 . 30852 1
101 . 2 . 2 7 7 ILE HG23 H 1 0.713 0.000 . . . . . . B 17 ILE HG23 . 30852 1
102 . 2 . 2 7 7 ILE HD11 H 1 0.713 0.000 . . . . . . B 17 ILE HD11 . 30852 1
103 . 2 . 2 7 7 ILE HD12 H 1 0.713 0.000 . . . . . . B 17 ILE HD12 . 30852 1
104 . 2 . 2 7 7 ILE HD13 H 1 0.713 0.000 . . . . . . B 17 ILE HD13 . 30852 1
105 . 2 . 2 9 9 PHE H H 1 8.931 0.000 . . . . . . B 19 PHE H . 30852 1
106 . 2 . 2 9 9 PHE HA H 1 4.984 0.000 . . . . . . B 19 PHE HA . 30852 1
107 . 2 . 2 9 9 PHE HB2 H 1 2.456 0.000 . . . . . . B 19 PHE HB2 . 30852 1
108 . 2 . 2 9 9 PHE HB3 H 1 2.398 0.000 . . . . . . B 19 PHE HB3 . 30852 1
109 . 2 . 2 9 9 PHE HD1 H 1 6.704 0.000 . . . . . . B 19 PHE HD1 . 30852 1
110 . 2 . 2 9 9 PHE HD2 H 1 6.704 0.000 . . . . . . B 19 PHE HD2 . 30852 1
111 . 2 . 2 9 9 PHE HE1 H 1 7.107 0.000 . . . . . . B 19 PHE HE1 . 30852 1
112 . 2 . 2 9 9 PHE HE2 H 1 7.107 0.000 . . . . . . B 19 PHE HE2 . 30852 1
113 . 2 . 2 9 9 PHE HZ H 1 7.161 0.000 . . . . . . B 19 PHE HZ . 30852 1
114 . 2 . 2 10 10 TYR H H 1 9.154 0.000 . . . . . . B 20 TYR H . 30852 1
115 . 2 . 2 10 10 TYR HA H 1 4.494 0.000 . . . . . . B 20 TYR HA . 30852 1
116 . 2 . 2 10 10 TYR HB2 H 1 2.907 0.000 . . . . . . B 20 TYR HB2 . 30852 1
117 . 2 . 2 10 10 TYR HB3 H 1 2.731 0.000 . . . . . . B 20 TYR HB3 . 30852 1
118 . 2 . 2 10 10 TYR HD1 H 1 6.948 0.000 . . . . . . B 20 TYR HD1 . 30852 1
119 . 2 . 2 10 10 TYR HD2 H 1 6.948 0.000 . . . . . . B 20 TYR HD2 . 30852 1
120 . 2 . 2 10 10 TYR HE1 H 1 6.719 0.000 . . . . . . B 20 TYR HE1 . 30852 1
121 . 2 . 2 10 10 TYR HE2 H 1 6.719 0.000 . . . . . . B 20 TYR HE2 . 30852 1
122 . 2 . 2 11 11 CYS H H 1 8.293 0.000 . . . . . . B 21 CYS H . 30852 1
123 . 2 . 2 11 11 CYS HA H 1 4.514 0.000 . . . . . . B 21 CYS HA . 30852 1
124 . 2 . 2 11 11 CYS HB2 H 1 3.044 0.000 . . . . . . B 21 CYS HB2 . 30852 1
125 . 2 . 2 11 11 CYS HB3 H 1 2.985 0.000 . . . . . . B 21 CYS HB3 . 30852 1
stop_
save_