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 21000
_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 DQF-COSY' 1 $sample_1 isotropic 21000 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 21000 1
3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 21000 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.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 1 1 GLY H H 1 7.874 0.002 . 1 . . . . . 1 GLY H . 21000 1
2 . 1 1 1 1 GLY HA2 H 1 3.570 0.001 . 1 . . . . . 1 GLY HA2 . 21000 1
3 . 1 1 1 1 GLY HA3 H 1 4.201 0.004 . 1 . . . . . 1 GLY HA3 . 21000 1
4 . 1 1 2 2 GLY H H 1 9.036 0.001 . 1 . . . . . 2 GLY H . 21000 1
5 . 1 1 2 2 GLY HA2 H 1 3.863 0.012 . 1 . . . . . 2 GLY HA2 . 21000 1
6 . 1 1 2 2 GLY HA3 H 1 4.225 0.006 . 1 . . . . . 2 GLY HA3 . 21000 1
7 . 1 1 3 3 ALA H H 1 8.514 0.002 . 1 . . . . . 3 ALA H . 21000 1
8 . 1 1 3 3 ALA HA H 1 4.659 0.000 . 1 . . . . . 3 ALA HA . 21000 1
9 . 1 1 3 3 ALA HB1 H 1 1.314 0.000 . 1 . . . . . 3 ALA QB . 21000 1
10 . 1 1 3 3 ALA HB2 H 1 1.314 0.000 . 1 . . . . . 3 ALA QB . 21000 1
11 . 1 1 3 3 ALA HB3 H 1 1.314 0.000 . 1 . . . . . 3 ALA QB . 21000 1
12 . 1 1 4 4 GLY H H 1 7.760 0.003 . 1 . . . . . 4 GLY H . 21000 1
13 . 1 1 4 4 GLY HA2 H 1 3.497 0.002 . 1 . . . . . 4 GLY HA2 . 21000 1
14 . 1 1 4 4 GLY HA3 H 1 4.058 0.010 . 1 . . . . . 4 GLY HA3 . 21000 1
15 . 1 1 5 5 HIS H H 1 7.394 0.004 . 1 . . . . . 5 HIS H . 21000 1
16 . 1 1 5 5 HIS HA H 1 4.696 0.009 . 1 . . . . . 5 HIS HA . 21000 1
17 . 1 1 5 5 HIS HB2 H 1 3.245 0.022 . 1 . . . . . 5 HIS HB2 . 21000 1
18 . 1 1 5 5 HIS HB3 H 1 2.920 0.000 . 1 . . . . . 5 HIS HB3 . 21000 1
19 . 1 1 5 5 HIS HD2 H 1 7.343 0.000 . 1 . . . . . 5 HIS HD2 . 21000 1
20 . 1 1 6 6 VAL H H 1 8.691 0.002 . 1 . . . . . 6 VAL H . 21000 1
21 . 1 1 6 6 VAL HA H 1 4.691 0.001 . 1 . . . . . 6 VAL HA . 21000 1
22 . 1 1 6 6 VAL HB H 1 1.760 0.002 . 1 . . . . . 6 VAL HB . 21000 1
23 . 1 1 6 6 VAL HG11 H 1 1.101 0.002 . 1 . . . . . 6 VAL QG1 . 21000 1
24 . 1 1 6 6 VAL HG12 H 1 1.101 0.002 . 1 . . . . . 6 VAL QG1 . 21000 1
25 . 1 1 6 6 VAL HG13 H 1 1.101 0.002 . 1 . . . . . 6 VAL QG1 . 21000 1
26 . 1 1 6 6 VAL HG21 H 1 0.848 0.001 . 1 . . . . . 6 VAL QG2 . 21000 1
27 . 1 1 6 6 VAL HG22 H 1 0.848 0.001 . 1 . . . . . 6 VAL QG2 . 21000 1
28 . 1 1 6 6 VAL HG23 H 1 0.848 0.001 . 1 . . . . . 6 VAL QG2 . 21000 1
29 . 1 1 7 7 PRO HA H 1 4.278 0.002 . 1 . . . . . 7 PRO HA . 21000 1
30 . 1 1 7 7 PRO HB2 H 1 1.671 0.005 . 1 . . . . . 7 PRO HB2 . 21000 1
31 . 1 1 7 7 PRO HB3 H 1 1.880 0.000 . 1 . . . . . 7 PRO HB3 . 21000 1
32 . 1 1 7 7 PRO HD2 H 1 3.797 0.004 . 1 . . . . . 7 PRO HD2 . 21000 1
33 . 1 1 7 7 PRO HD3 H 1 4.124 0.002 . 1 . . . . . 7 PRO HD3 . 21000 1
34 . 1 1 7 7 PRO HG2 H 1 2.200 0.003 . 1 . . . . . 7 PRO HG2 . 21000 1
35 . 1 1 7 7 PRO HG3 H 1 1.968 0.006 . 1 . . . . . 7 PRO HG3 . 21000 1
36 . 1 1 8 8 GLU H H 1 8.262 0.005 . 1 . . . . . 8 GLU H . 21000 1
37 . 1 1 8 8 GLU HA H 1 4.329 0.004 . 1 . . . . . 8 GLU HA . 21000 1
38 . 1 1 8 8 GLU HB2 H 1 1.659 0.004 . 1 . . . . . 8 GLU HB2 . 21000 1
39 . 1 1 8 8 GLU HB3 H 1 1.759 0.001 . 1 . . . . . 8 GLU HB3 . 21000 1
40 . 1 1 8 8 GLU HG2 H 1 1.860 0.004 . 1 . . . . . 8 GLU HG2 . 21000 1
41 . 1 1 8 8 GLU HG3 H 1 2.000 0.011 . 1 . . . . . 8 GLU HG3 . 21000 1
42 . 1 1 9 9 TYR H H 1 7.563 0.001 . 1 . . . . . 9 TYR H . 21000 1
43 . 1 1 9 9 TYR HA H 1 4.481 0.003 . 1 . . . . . 9 TYR HA . 21000 1
44 . 1 1 9 9 TYR HB2 H 1 2.692 0.004 . 1 . . . . . 9 TYR HB2 . 21000 1
45 . 1 1 9 9 TYR HB3 H 1 2.888 0.005 . 1 . . . . . 9 TYR HB3 . 21000 1
46 . 1 1 9 9 TYR HD1 H 1 6.923 0.002 . 1 . . . . . 9 TYR HD1 . 21000 1
47 . 1 1 9 9 TYR HE1 H 1 6.613 0.000 . 1 . . . . . 9 TYR HE1 . 21000 1
48 . 1 1 10 10 PHE H H 1 8.049 0.007 . 1 . . . . . 10 PHE H . 21000 1
49 . 1 1 10 10 PHE HA H 1 4.702 0.001 . 1 . . . . . 10 PHE HA . 21000 1
50 . 1 1 10 10 PHE HB2 H 1 2.957 0.019 . 1 . . . . . 10 PHE HB2 . 21000 1
51 . 1 1 10 10 PHE HB3 H 1 2.819 0.005 . 1 . . . . . 10 PHE HB3 . 21000 1
52 . 1 1 10 10 PHE HD1 H 1 7.083 0.010 . 1 . . . . . 10 PHE HD1 . 21000 1
53 . 1 1 11 11 VAL H H 1 8.077 0.001 . 1 . . . . . 11 VAL H . 21000 1
54 . 1 1 11 11 VAL HA H 1 4.179 0.001 . 1 . . . . . 11 VAL HA . 21000 1
55 . 1 1 11 11 VAL HB H 1 2.036 0.005 . 1 . . . . . 11 VAL HB . 21000 1
56 . 1 1 11 11 VAL HG11 H 1 0.912 0.002 . 2 . . . . . 11 VAL QQG . 21000 1
57 . 1 1 11 11 VAL HG12 H 1 0.912 0.002 . 2 . . . . . 11 VAL QQG . 21000 1
58 . 1 1 11 11 VAL HG13 H 1 0.912 0.002 . 2 . . . . . 11 VAL QQG . 21000 1
59 . 1 1 12 12 ARG H H 1 8.264 0.002 . 1 . . . . . 12 ARG H . 21000 1
60 . 1 1 12 12 ARG HA H 1 4.175 0.005 . 1 . . . . . 12 ARG HA . 21000 1
61 . 1 1 12 12 ARG HB2 H 1 1.771 0.007 . 1 . . . . . 12 ARG HB2 . 21000 1
62 . 1 1 12 12 ARG HB3 H 1 1.862 0.008 . 1 . . . . . 12 ARG HB3 . 21000 1
63 . 1 1 12 12 ARG HD2 H 1 3.223 0.016 . 2 . . . . . 12 ARG QD . 21000 1
64 . 1 1 12 12 ARG HE H 1 7.413 0.006 . 1 . . . . . 12 ARG HE . 21000 1
65 . 1 1 12 12 ARG HG2 H 1 1.651 0.007 . 2 . . . . . 12 ARG QG . 21000 1
66 . 1 1 13 13 GLY H H 1 8.526 0.002 . 1 . . . . . 13 GLY H . 21000 1
67 . 1 1 13 13 GLY HA2 H 1 3.647 0.001 . 1 . . . . . 13 GLY HA2 . 21000 1
68 . 1 1 13 13 GLY HA3 H 1 4.012 0.012 . 1 . . . . . 13 GLY HA3 . 21000 1
69 . 1 1 14 14 ASP H H 1 8.393 0.001 . 1 . . . . . 14 ASP H . 21000 1
70 . 1 1 14 14 ASP HA H 1 4.760 0.003 . 1 . . . . . 14 ASP HA . 21000 1
71 . 1 1 14 14 ASP HB2 H 1 2.865 0.022 . 1 . . . . . 14 ASP HB2 . 21000 1
72 . 1 1 14 14 ASP HB3 H 1 2.817 0.002 . 1 . . . . . 14 ASP HB3 . 21000 1
73 . 1 1 15 15 THR H H 1 7.969 0.001 . 1 . . . . . 15 THR H . 21000 1
74 . 1 1 15 15 THR HA H 1 4.764 0.005 . 1 . . . . . 15 THR HA . 21000 1
75 . 1 1 15 15 THR HB H 1 4.183 0.001 . 1 . . . . . 15 THR HB . 21000 1
76 . 1 1 15 15 THR HG21 H 1 1.243 0.001 . 1 . . . . . 15 THR QG2 . 21000 1
77 . 1 1 15 15 THR HG22 H 1 1.243 0.001 . 1 . . . . . 15 THR QG2 . 21000 1
78 . 1 1 15 15 THR HG23 H 1 1.243 0.001 . 1 . . . . . 15 THR QG2 . 21000 1
79 . 1 1 16 16 PRO HA H 1 4.460 0.003 . 1 . . . . . 16 PRO HA . 21000 1
80 . 1 1 16 16 PRO HB2 H 1 1.808 0.007 . 1 . . . . . 16 PRO HB2 . 21000 1
81 . 1 1 16 16 PRO HB3 H 1 1.998 0.001 . 1 . . . . . 16 PRO HB3 . 21000 1
82 . 1 1 16 16 PRO HD2 H 1 3.850 0.004 . 1 . . . . . 16 PRO HD2 . 21000 1
83 . 1 1 16 16 PRO HD3 H 1 3.934 0.002 . 1 . . . . . 16 PRO HD3 . 21000 1
84 . 1 1 16 16 PRO HG2 H 1 2.091 0.004 . 1 . . . . . 16 PRO HG2 . 21000 1
85 . 1 1 16 16 PRO HG3 H 1 1.990 0.004 . 1 . . . . . 16 PRO HG3 . 21000 1
86 . 1 1 17 17 ILE H H 1 7.863 0.005 . 1 . . . . . 17 ILE H . 21000 1
87 . 1 1 17 17 ILE HA H 1 4.357 0.004 . 1 . . . . . 17 ILE HA . 21000 1
88 . 1 1 17 17 ILE HB H 1 1.839 0.004 . 1 . . . . . 17 ILE HB . 21000 1
89 . 1 1 17 17 ILE HD11 H 1 1.048 0.023 . 1 . . . . . 17 ILE QD1 . 21000 1
90 . 1 1 17 17 ILE HD12 H 1 1.048 0.023 . 1 . . . . . 17 ILE QD1 . 21000 1
91 . 1 1 17 17 ILE HD13 H 1 1.048 0.023 . 1 . . . . . 17 ILE QD1 . 21000 1
92 . 1 1 17 17 ILE HG12 H 1 1.413 0.006 . 2 . . . . . 17 ILE QG1 . 21000 1
93 . 1 1 17 17 ILE HG21 H 1 0.830 0.013 . 1 . . . . . 17 ILE QG2 . 21000 1
94 . 1 1 17 17 ILE HG22 H 1 0.830 0.013 . 1 . . . . . 17 ILE QG2 . 21000 1
95 . 1 1 17 17 ILE HG23 H 1 0.830 0.013 . 1 . . . . . 17 ILE QG2 . 21000 1
96 . 1 1 18 18 SER H H 1 7.414 0.004 . 1 . . . . . 18 SER H . 21000 1
97 . 1 1 18 18 SER HA H 1 4.380 0.006 . 1 . . . . . 18 SER HA . 21000 1
98 . 1 1 18 18 SER HB2 H 1 3.976 0.026 . 1 . . . . . 18 SER HB2 . 21000 1
99 . 1 1 18 18 SER HB3 H 1 3.840 0.005 . 1 . . . . . 18 SER HB3 . 21000 1
100 . 1 1 19 19 PHE H H 1 8.817 0.004 . 1 . . . . . 19 PHE H . 21000 1
101 . 1 1 19 19 PHE HA H 1 5.450 0.003 . 1 . . . . . 19 PHE HA . 21000 1
102 . 1 1 19 19 PHE HB2 H 1 2.562 0.016 . 1 . . . . . 19 PHE HB2 . 21000 1
103 . 1 1 19 19 PHE HB3 H 1 2.587 0.015 . 1 . . . . . 19 PHE HB3 . 21000 1
104 . 1 1 19 19 PHE HD1 H 1 6.871 0.001 . 1 . . . . . 19 PHE HD1 . 21000 1
105 . 1 1 20 20 TYR H H 1 9.494 0.002 . 1 . . . . . 20 TYR H . 21000 1
106 . 1 1 20 20 TYR HA H 1 4.910 0.017 . 1 . . . . . 20 TYR HA . 21000 1
107 . 1 1 20 20 TYR HB2 H 1 3.027 0.007 . 1 . . . . . 20 TYR HB2 . 21000 1
108 . 1 1 20 20 TYR HB3 H 1 2.974 0.008 . 1 . . . . . 20 TYR HB3 . 21000 1
109 . 1 1 20 20 TYR HD1 H 1 6.969 0.002 . 1 . . . . . 20 TYR HD1 . 21000 1
110 . 1 1 20 20 TYR HE1 H 1 6.708 0.002 . 1 . . . . . 20 TYR HE1 . 21000 1
111 . 1 1 21 21 GLY H H 1 8.627 0.002 . 1 . . . . . 21 GLY H . 21000 1
112 . 1 1 21 21 GLY HA3 H 1 3.853 0.002 . 1 . . . . . 21 GLY HA3 . 21000 1
stop_
save_