Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 20075
_Assigned_chem_shift_list.ID 1
_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 $chemical_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' . . . 20075 1
2 '2D DQF-COSY' . . . 20075 1
3 '2D 1H-1H NOESY' . . . 20075 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 GLY HA2 H 1 4.11 0.01 . 2 . . . . 1 GLY HA2 . 20075 1
2 . 1 1 1 1 GLY HA3 H 1 3.94 0.01 . 2 . . . . 1 GLY HA3 . 20075 1
3 . 1 1 2 2 PHE H H 1 8.88 0.01 . 1 . . . . 2 PHE H . 20075 1
4 . 1 1 2 2 PHE HA H 1 4.38 0.01 . 1 . . . . 2 PHE HA . 20075 1
5 . 1 1 2 2 PHE HB2 H 1 3.24 0.01 . 2 . . . . 2 PHE HB2 . 20075 1
6 . 1 1 2 2 PHE HB3 H 1 3.14 0.01 . 2 . . . . 2 PHE HB3 . 20075 1
7 . 1 1 2 2 PHE HD1 H 1 7.26 0.01 . 3 . . . . 2 PHE HD1 . 20075 1
8 . 1 1 2 2 PHE HD2 H 1 7.26 0.01 . 3 . . . . 2 PHE HD2 . 20075 1
9 . 1 1 2 2 PHE HE1 H 1 7.25 0.04 . 4 . . . . 2 PHE HE1 . 20075 1
10 . 1 1 2 2 PHE HE2 H 1 7.25 0.04 . 4 . . . . 2 PHE HE2 . 20075 1
11 . 1 1 2 2 PHE HZ H 1 7.25 0.04 . 4 . . . . 2 PHE HZ . 20075 1
12 . 1 1 3 3 ARG H H 1 8.92 0.01 . 1 . . . . 3 ARG H . 20075 1
13 . 1 1 3 3 ARG HA H 1 4.02 0.01 . 1 . . . . 3 ARG HA . 20075 1
14 . 1 1 3 3 ARG HB2 H 1 1.87 0.01 . 2 . . . . 3 ARG HB2 . 20075 1
15 . 1 1 3 3 ARG HB3 H 1 1.87 0.01 . 2 . . . . 3 ARG HB3 . 20075 1
16 . 1 1 3 3 ARG HD2 H 1 3.24 0.01 . 2 . . . . 3 ARG HD2 . 20075 1
17 . 1 1 3 3 ARG HD3 H 1 3.24 0.01 . 2 . . . . 3 ARG HD3 . 20075 1
18 . 1 1 3 3 ARG HE H 1 7.15 0.01 . 1 . . . . 3 ARG HE . 20075 1
19 . 1 1 3 3 ARG HG2 H 1 1.74 0.01 . 2 . . . . 3 ARG HG2 . 20075 1
20 . 1 1 3 3 ARG HG3 H 1 1.58 0.01 . 2 . . . . 3 ARG HG3 . 20075 1
21 . 1 1 4 4 GLU H H 1 8.44 0.01 . 1 . . . . 4 GLU H . 20075 1
22 . 1 1 4 4 GLU HA H 1 4.15 0.01 . 1 . . . . 4 GLU HA . 20075 1
23 . 1 1 4 4 GLU HB2 H 1 2.24 0.01 . 2 . . . . 4 GLU HB2 . 20075 1
24 . 1 1 4 4 GLU HB3 H 1 2.10 0.01 . 2 . . . . 4 GLU HB3 . 20075 1
25 . 1 1 4 4 GLU HG2 H 1 2.64 0.01 . 2 . . . . 4 GLU HG2 . 20075 1
26 . 1 1 4 4 GLU HG3 H 1 2.34 0.01 . 2 . . . . 4 GLU HG3 . 20075 1
27 . 1 1 5 5 LYS H H 1 8.05 0.01 . 1 . . . . 5 LYS H . 20075 1
28 . 1 1 5 5 LYS HA H 1 4.20 0.01 . 1 . . . . 5 LYS HA . 20075 1
29 . 1 1 5 5 LYS HB2 H 1 1.88 0.01 . 2 . . . . 5 LYS HB2 . 20075 1
30 . 1 1 5 5 LYS HB3 H 1 1.88 0.01 . 2 . . . . 5 LYS HB3 . 20075 1
31 . 1 1 5 5 LYS HD2 H 1 1.61 0.01 . 2 . . . . 5 LYS HD2 . 20075 1
32 . 1 1 5 5 LYS HD3 H 1 1.53 0.01 . 2 . . . . 5 LYS HD3 . 20075 1
33 . 1 1 5 5 LYS HE2 H 1 3.02 0.01 . 2 . . . . 5 LYS HE2 . 20075 1
34 . 1 1 5 5 LYS HE3 H 1 3.02 0.01 . 2 . . . . 5 LYS HE3 . 20075 1
35 . 1 1 5 5 LYS HG2 H 1 1.72 0.01 . 2 . . . . 5 LYS HG2 . 20075 1
36 . 1 1 5 5 LYS HG3 H 1 1.72 0.01 . 2 . . . . 5 LYS HG3 . 20075 1
37 . 1 1 6 6 HIS H H 1 8.37 0.01 . 1 . . . . 6 HIS H . 20075 1
38 . 1 1 6 6 HIS HA H 1 4.37 0.01 . 1 . . . . 6 HIS HA . 20075 1
39 . 1 1 6 6 HIS HB2 H 1 3.25 0.01 . 2 . . . . 6 HIS HB2 . 20075 1
40 . 1 1 6 6 HIS HB3 H 1 3.07 0.01 . 2 . . . . 6 HIS HB3 . 20075 1
41 . 1 1 6 6 HIS HD2 H 1 7.08 0.01 . 1 . . . . 6 HIS HD2 . 20075 1
42 . 1 1 6 6 HIS HE1 H 1 8.24 0.01 . 1 . . . . 6 HIS HE1 . 20075 1
43 . 1 1 7 7 PHE H H 1 8.26 0.01 . 1 . . . . 7 PHE H . 20075 1
44 . 1 1 7 7 PHE HA H 1 4.46 0.01 . 1 . . . . 7 PHE HA . 20075 1
45 . 1 1 7 7 PHE HB2 H 1 3.29 0.01 . 2 . . . . 7 PHE HB2 . 20075 1
46 . 1 1 7 7 PHE HB3 H 1 3.29 0.01 . 2 . . . . 7 PHE HB3 . 20075 1
47 . 1 1 7 7 PHE HD1 H 1 7.27 0.01 . 3 . . . . 7 PHE HD1 . 20075 1
48 . 1 1 7 7 PHE HD2 H 1 7.27 0.01 . 3 . . . . 7 PHE HD2 . 20075 1
49 . 1 1 7 7 PHE HE1 H 1 7.25 0.04 . 4 . . . . 7 PHE HE1 . 20075 1
50 . 1 1 7 7 PHE HE2 H 1 7.25 0.04 . 4 . . . . 7 PHE HE2 . 20075 1
51 . 1 1 7 7 PHE HZ H 1 7.25 0.04 . 4 . . . . 7 PHE HZ . 20075 1
52 . 1 1 8 8 GLN H H 1 8.35 0.01 . 1 . . . . 8 GLN H . 20075 1
53 . 1 1 8 8 GLN HA H 1 3.99 0.01 . 1 . . . . 8 GLN HA . 20075 1
54 . 1 1 8 8 GLN HB2 H 1 2.23 0.01 . 2 . . . . 8 GLN HB2 . 20075 1
55 . 1 1 8 8 GLN HB3 H 1 2.23 0.01 . 2 . . . . 8 GLN HB3 . 20075 1
56 . 1 1 8 8 GLN HE21 H 1 7.21 0.01 . 2 . . . . 8 GLN HE21 . 20075 1
57 . 1 1 8 8 GLN HE22 H 1 6.73 0.01 . 2 . . . . 8 GLN HE22 . 20075 1
58 . 1 1 8 8 GLN HG2 H 1 2.62 0.01 . 2 . . . . 8 GLN HG2 . 20075 1
59 . 1 1 8 8 GLN HG3 H 1 2.42 0.01 . 2 . . . . 8 GLN HG3 . 20075 1
60 . 1 1 9 9 ARG H H 1 7.84 0.01 . 1 . . . . 9 ARG H . 20075 1
61 . 1 1 9 9 ARG HA H 1 4.11 0.01 . 1 . . . . 9 ARG HA . 20075 1
62 . 1 1 9 9 ARG HB2 H 1 1.88 0.01 . 2 . . . . 9 ARG HB2 . 20075 1
63 . 1 1 9 9 ARG HB3 H 1 1.88 0.01 . 2 . . . . 9 ARG HB3 . 20075 1
64 . 1 1 9 9 ARG HD2 H 1 3.15 0.01 . 2 . . . . 9 ARG HD2 . 20075 1
65 . 1 1 9 9 ARG HD3 H 1 3.15 0.01 . 2 . . . . 9 ARG HD3 . 20075 1
66 . 1 1 9 9 ARG HE H 1 7.18 0.01 . 1 . . . . 9 ARG HE . 20075 1
67 . 1 1 9 9 ARG HG2 H 1 1.63 0.01 . 2 . . . . 9 ARG HG2 . 20075 1
68 . 1 1 9 9 ARG HG3 H 1 1.63 0.01 . 2 . . . . 9 ARG HG3 . 20075 1
69 . 1 1 10 10 PHE H H 1 7.99 0.01 . 1 . . . . 10 PHE H . 20075 1
70 . 1 1 10 10 PHE HA H 1 4.46 0.01 . 1 . . . . 10 PHE HA . 20075 1
71 . 1 1 10 10 PHE HB2 H 1 3.26 0.01 . 2 . . . . 10 PHE HB2 . 20075 1
72 . 1 1 10 10 PHE HB3 H 1 3.03 0.01 . 2 . . . . 10 PHE HB3 . 20075 1
73 . 1 1 10 10 PHE HD1 H 1 7.17 0.01 . 3 . . . . 10 PHE HD1 . 20075 1
74 . 1 1 10 10 PHE HD2 H 1 7.17 0.01 . 3 . . . . 10 PHE HD2 . 20075 1
75 . 1 1 10 10 PHE HE1 H 1 7.25 0.04 . 4 . . . . 10 PHE HE1 . 20075 1
76 . 1 1 10 10 PHE HE2 H 1 7.25 0.04 . 4 . . . . 10 PHE HE2 . 20075 1
77 . 1 1 10 10 PHE HZ H 1 7.25 0.04 . 4 . . . . 10 PHE HZ . 20075 1
78 . 1 1 11 11 VAL H H 1 8.06 0.01 . 1 . . . . 11 VAL H . 20075 1
79 . 1 1 11 11 VAL HA H 1 3.64 0.01 . 1 . . . . 11 VAL HA . 20075 1
80 . 1 1 11 11 VAL HB H 1 1.94 0.01 . 1 . . . . 11 VAL HB . 20075 1
81 . 1 1 11 11 VAL HG11 H 1 0.83 0.01 . 2 . . . . 11 VAL MG1 . 20075 1
82 . 1 1 11 11 VAL HG12 H 1 0.83 0.01 . 2 . . . . 11 VAL MG1 . 20075 1
83 . 1 1 11 11 VAL HG13 H 1 0.83 0.01 . 2 . . . . 11 VAL MG1 . 20075 1
84 . 1 1 11 11 VAL HG21 H 1 0.83 0.01 . 2 . . . . 11 VAL MG2 . 20075 1
85 . 1 1 11 11 VAL HG22 H 1 0.83 0.01 . 2 . . . . 11 VAL MG2 . 20075 1
86 . 1 1 11 11 VAL HG23 H 1 0.83 0.01 . 2 . . . . 11 VAL MG2 . 20075 1
87 . 1 1 12 12 LYS H H 1 7.76 0.01 . 1 . . . . 12 LYS H . 20075 1
88 . 1 1 12 12 LYS HA H 1 4.03 0.01 . 1 . . . . 12 LYS HA . 20075 1
89 . 1 1 12 12 LYS HB2 H 1 1.74 0.01 . 2 . . . . 12 LYS HB2 . 20075 1
90 . 1 1 12 12 LYS HB3 H 1 1.67 0.01 . 2 . . . . 12 LYS HB3 . 20075 1
91 . 1 1 12 12 LYS HD2 H 1 1.60 0.01 . 2 . . . . 12 LYS HD2 . 20075 1
92 . 1 1 12 12 LYS HD3 H 1 1.60 0.01 . 2 . . . . 12 LYS HD3 . 20075 1
93 . 1 1 12 12 LYS HE2 H 1 2.93 0.01 . 2 . . . . 12 LYS HE2 . 20075 1
94 . 1 1 12 12 LYS HE3 H 1 2.93 0.01 . 2 . . . . 12 LYS HE3 . 20075 1
95 . 1 1 12 12 LYS HG2 H 1 1.28 0.01 . 2 . . . . 12 LYS HG2 . 20075 1
96 . 1 1 12 12 LYS HG3 H 1 1.13 0.01 . 2 . . . . 12 LYS HG3 . 20075 1
97 . 1 1 13 13 TYR H H 1 7.65 0.01 . 1 . . . . 13 TYR H . 20075 1
98 . 1 1 13 13 TYR HA H 1 4.58 0.01 . 1 . . . . 13 TYR HA . 20075 1
99 . 1 1 13 13 TYR HB2 H 1 3.15 0.01 . 2 . . . . 13 TYR HB2 . 20075 1
100 . 1 1 13 13 TYR HB3 H 1 2.94 0.01 . 2 . . . . 13 TYR HB3 . 20075 1
101 . 1 1 13 13 TYR HD1 H 1 7.19 0.01 . 3 . . . . 13 TYR HD1 . 20075 1
102 . 1 1 13 13 TYR HD2 H 1 7.19 0.01 . 3 . . . . 13 TYR HD2 . 20075 1
103 . 1 1 13 13 TYR HE1 H 1 6.82 0.01 . 3 . . . . 13 TYR HE1 . 20075 1
104 . 1 1 13 13 TYR HE2 H 1 6.82 0.01 . 3 . . . . 13 TYR HE2 . 20075 1
105 . 1 1 14 14 ALA H H 1 8.06 0.01 . 1 . . . . 14 ALA H . 20075 1
106 . 1 1 14 14 ALA HA H 1 4.20 0.01 . 1 . . . . 14 ALA HA . 20075 1
107 . 1 1 14 14 ALA HB1 H 1 1.25 0.01 . 1 . . . . 14 ALA MB . 20075 1
108 . 1 1 14 14 ALA HB2 H 1 1.25 0.01 . 1 . . . . 14 ALA MB . 20075 1
109 . 1 1 14 14 ALA HB3 H 1 1.25 0.01 . 1 . . . . 14 ALA MB . 20075 1
110 . 1 1 15 15 VAL H H 1 7.88 0.01 . 1 . . . . 15 VAL H . 20075 1
111 . 1 1 15 15 VAL HA H 1 4.22 0.01 . 1 . . . . 15 VAL HA . 20075 1
112 . 1 1 15 15 VAL HB H 1 2.24 0.01 . 1 . . . . 15 VAL HB . 20075 1
113 . 1 1 15 15 VAL HG11 H 1 0.96 0.01 . 2 . . . . 15 VAL MG1 . 20075 1
114 . 1 1 15 15 VAL HG12 H 1 0.96 0.01 . 2 . . . . 15 VAL MG1 . 20075 1
115 . 1 1 15 15 VAL HG13 H 1 0.96 0.01 . 2 . . . . 15 VAL MG1 . 20075 1
116 . 1 1 15 15 VAL HG21 H 1 0.96 0.01 . 2 . . . . 15 VAL MG2 . 20075 1
117 . 1 1 15 15 VAL HG22 H 1 0.96 0.01 . 2 . . . . 15 VAL MG2 . 20075 1
118 . 1 1 15 15 VAL HG23 H 1 0.96 0.01 . 2 . . . . 15 VAL MG2 . 20075 1
119 . 1 1 16 16 PRO HA H 1 4.38 0.01 . 1 . . . . 16 PRO HA . 20075 1
120 . 1 1 16 16 PRO HB2 H 1 2.33 0.01 . 2 . . . . 16 PRO HB2 . 20075 1
121 . 1 1 16 16 PRO HB3 H 1 2.15 0.01 . 2 . . . . 16 PRO HB3 . 20075 1
122 . 1 1 16 16 PRO HD2 H 1 3.57 0.01 . 2 . . . . 16 PRO HD2 . 20075 1
123 . 1 1 16 16 PRO HD3 H 1 3.61 0.01 . 2 . . . . 16 PRO HD3 . 20075 1
124 . 1 1 16 16 PRO HG2 H 1 2.01 0.01 . 2 . . . . 16 PRO HG2 . 20075 1
125 . 1 1 16 16 PRO HG3 H 1 1.94 0.01 . 2 . . . . 16 PRO HG3 . 20075 1
126 . 1 1 17 17 GLU H H 1 8.22 0.01 . 1 . . . . 17 GLU H . 20075 1
127 . 1 1 17 17 GLU HA H 1 4.23 0.01 . 1 . . . . 17 GLU HA . 20075 1
128 . 1 1 17 17 GLU HB2 H 1 2.12 0.01 . 2 . . . . 17 GLU HB2 . 20075 1
129 . 1 1 17 17 GLU HB3 H 1 2.12 0.01 . 2 . . . . 17 GLU HB3 . 20075 1
130 . 1 1 17 17 GLU HG2 H 1 2.55 0.01 . 2 . . . . 17 GLU HG2 . 20075 1
131 . 1 1 17 17 GLU HG3 H 1 2.55 0.01 . 2 . . . . 17 GLU HG3 . 20075 1
132 . 1 1 18 18 SER H H 1 8.19 0.01 . 1 . . . . 18 SER H . 20075 1
133 . 1 1 18 18 SER HA H 1 4.41 0.01 . 1 . . . . 18 SER HA . 20075 1
134 . 1 1 18 18 SER HB2 H 1 4.06 0.01 . 2 . . . . 18 SER HB2 . 20075 1
135 . 1 1 18 18 SER HB3 H 1 3.99 0.01 . 2 . . . . 18 SER HB3 . 20075 1
136 . 1 1 19 19 THR H H 1 7.83 0.01 . 1 . . . . 19 THR H . 20075 1
137 . 1 1 19 19 THR HA H 1 4.39 0.01 . 1 . . . . 19 THR HA . 20075 1
138 . 1 1 19 19 THR HB H 1 4.35 0.01 . 1 . . . . 19 THR HB . 20075 1
139 . 1 1 19 19 THR HG21 H 1 1.30 0.01 . 1 . . . . 19 THR MG . 20075 1
140 . 1 1 19 19 THR HG22 H 1 1.30 0.01 . 1 . . . . 19 THR MG . 20075 1
141 . 1 1 19 19 THR HG23 H 1 1.30 0.01 . 1 . . . . 19 THR MG . 20075 1
142 . 1 1 20 20 LEU H H 1 7.78 0.01 . 1 . . . . 20 LEU H . 20075 1
143 . 1 1 20 20 LEU HA H 1 4.41 0.01 . 1 . . . . 20 LEU HA . 20075 1
144 . 1 1 20 20 LEU HB2 H 1 1.77 0.01 . 2 . . . . 20 LEU HB2 . 20075 1
145 . 1 1 20 20 LEU HB3 H 1 1.77 0.01 . 2 . . . . 20 LEU HB3 . 20075 1
146 . 1 1 20 20 LEU HD11 H 1 0.98 0.01 . 2 . . . . 20 LEU MD1 . 20075 1
147 . 1 1 20 20 LEU HD12 H 1 0.98 0.01 . 2 . . . . 20 LEU MD1 . 20075 1
148 . 1 1 20 20 LEU HD13 H 1 0.98 0.01 . 2 . . . . 20 LEU MD1 . 20075 1
149 . 1 1 20 20 LEU HD21 H 1 0.92 0.01 . 2 . . . . 20 LEU MD2 . 20075 1
150 . 1 1 20 20 LEU HD22 H 1 0.92 0.01 . 2 . . . . 20 LEU MD2 . 20075 1
151 . 1 1 20 20 LEU HD23 H 1 0.92 0.01 . 2 . . . . 20 LEU MD2 . 20075 1
152 . 1 1 20 20 LEU HG H 1 1.64 0.01 . 1 . . . . 20 LEU HG . 20075 1
153 . 1 1 21 21 ARG H H 1 7.87 0.01 . 1 . . . . 21 ARG H . 20075 1
154 . 1 1 21 21 ARG HA H 1 4.44 0.01 . 1 . . . . 21 ARG HA . 20075 1
155 . 1 1 21 21 ARG HB2 H 1 1.99 0.01 . 2 . . . . 21 ARG HB2 . 20075 1
156 . 1 1 21 21 ARG HB3 H 1 1.85 0.01 . 2 . . . . 21 ARG HB3 . 20075 1
157 . 1 1 21 21 ARG HD2 H 1 3.26 0.01 . 2 . . . . 21 ARG HD2 . 20075 1
158 . 1 1 21 21 ARG HD3 H 1 3.26 0.01 . 2 . . . . 21 ARG HD3 . 20075 1
159 . 1 1 21 21 ARG HE H 1 7.18 0.01 . 1 . . . . 21 ARG HE . 20075 1
160 . 1 1 21 21 ARG HG2 H 1 1.70 0.01 . 2 . . . . 21 ARG HG2 . 20075 1
161 . 1 1 21 21 ARG HG3 H 1 1.70 0.01 . 2 . . . . 21 ARG HG3 . 20075 1
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 9 20075 1
1 10 20075 1
1 11 20075 1
2 49 20075 1
2 50 20075 1
2 51 20075 1
3 75 20075 1
3 76 20075 1
3 77 20075 1
stop_
save_