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 11538
_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' 1 $sample_1 isotropic 11538 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 11538 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 LYS HA H 1 4.161 0.001 . 1 . . . . 1 LYS HA . 11538 1
2 . 1 1 1 1 LYS HB2 H 1 1.865 0.001 . 2 . . . . 1 LYS HB1 . 11538 1
3 . 1 1 1 1 LYS HB3 H 1 1.865 0.001 . 2 . . . . 1 LYS HB2 . 11538 1
4 . 1 1 1 1 LYS HD2 H 1 1.640 0.000 . 2 . . . . 1 LYS HD1 . 11538 1
5 . 1 1 1 1 LYS HD3 H 1 1.640 0.000 . 2 . . . . 1 LYS HD2 . 11538 1
6 . 1 1 1 1 LYS HE2 H 1 2.959 0.000 . 2 . . . . 1 LYS HE1 . 11538 1
7 . 1 1 1 1 LYS HE3 H 1 2.959 0.000 . 2 . . . . 1 LYS HE2 . 11538 1
8 . 1 1 1 1 LYS HG2 H 1 1.434 0.002 . 2 . . . . 1 LYS HG1 . 11538 1
9 . 1 1 1 1 LYS HG3 H 1 1.434 0.002 . 2 . . . . 1 LYS HG2 . 11538 1
10 . 1 1 2 2 TRP H H 1 8.913 0.006 . 1 . . . . 2 TRP HN . 11538 1
11 . 1 1 2 2 TRP HA H 1 4.962 0.001 . 1 . . . . 2 TRP HA . 11538 1
12 . 1 1 2 2 TRP HB2 H 1 3.326 0.001 . 2 . . . . 2 TRP HB1 . 11538 1
13 . 1 1 2 2 TRP HB3 H 1 3.326 0.001 . 2 . . . . 2 TRP HB2 . 11538 1
14 . 1 1 2 2 TRP HD1 H 1 7.264 0.000 . 1 . . . . 2 TRP HD1 . 11538 1
15 . 1 1 2 2 TRP HE1 H 1 10.110 0.000 . 1 . . . . 2 TRP HE1 . 11538 1
16 . 1 1 2 2 TRP HE3 H 1 7.679 0.000 . 1 . . . . 2 TRP HE3 . 11538 1
17 . 1 1 2 2 TRP HZ2 H 1 7.451 0.000 . 1 . . . . 2 TRP HZ2 . 11538 1
18 . 1 1 3 3 CYS H H 1 8.306 0.000 . 1 . . . . 3 CYS HN . 11538 1
19 . 1 1 3 3 CYS HA H 1 5.461 0.001 . 1 . . . . 3 CYS HA . 11538 1
20 . 1 1 3 3 CYS HB2 H 1 2.570 0.001 . 2 . . . . 3 CYS HB1 . 11538 1
21 . 1 1 3 3 CYS HB3 H 1 2.979 0.001 . 2 . . . . 3 CYS HB2 . 11538 1
22 . 1 1 4 4 PHE H H 1 8.736 0.000 . 1 . . . . 4 PHE HN . 11538 1
23 . 1 1 4 4 PHE HA H 1 4.766 0.000 . 1 . . . . 4 PHE HA . 11538 1
24 . 1 1 4 4 PHE HB2 H 1 2.996 0.001 . 2 . . . . 4 PHE HB1 . 11538 1
25 . 1 1 4 4 PHE HB3 H 1 2.996 0.001 . 2 . . . . 4 PHE HB2 . 11538 1
26 . 1 1 4 4 PHE HD1 H 1 6.872 0.000 . 3 . . . . 4 PHE HD1 . 11538 1
27 . 1 1 4 4 PHE HD2 H 1 6.872 0.000 . 3 . . . . 4 PHE HD2 . 11538 1
28 . 1 1 4 4 PHE HE1 H 1 7.092 0.000 . 3 . . . . 4 PHE HE1 . 11538 1
29 . 1 1 4 4 PHE HE2 H 1 7.092 0.000 . 3 . . . . 4 PHE HE2 . 11538 1
30 . 1 1 4 4 PHE HZ H 1 7.159 0.000 . 1 . . . . 4 PHE HZ . 11538 1
31 . 1 1 5 5 ARG H H 1 8.544 0.000 . 1 . . . . 5 ARG HN . 11538 1
32 . 1 1 5 5 ARG HA H 1 4.963 0.001 . 1 . . . . 5 ARG HA . 11538 1
33 . 1 1 5 5 ARG HB2 H 1 1.638 0.000 . 2 . . . . 5 ARG HB1 . 11538 1
34 . 1 1 5 5 ARG HB3 H 1 1.733 0.000 . 2 . . . . 5 ARG HB2 . 11538 1
35 . 1 1 5 5 ARG HD2 H 1 3.112 0.003 . 2 . . . . 5 ARG HD1 . 11538 1
36 . 1 1 5 5 ARG HD3 H 1 3.112 0.003 . 2 . . . . 5 ARG HD2 . 11538 1
37 . 1 1 5 5 ARG HE H 1 7.157 0.000 . 1 . . . . 5 ARG HE . 11538 1
38 . 1 1 5 5 ARG HG2 H 1 1.488 0.001 . 2 . . . . 5 ARG HG1 . 11538 1
39 . 1 1 5 5 ARG HG3 H 1 1.488 0.001 . 2 . . . . 5 ARG HG2 . 11538 1
40 . 1 1 6 6 VAL H H 1 8.843 0.000 . 1 . . . . 6 VAL HN . 11538 1
41 . 1 1 6 6 VAL HA H 1 4.366 0.000 . 1 . . . . 6 VAL HA . 11538 1
42 . 1 1 6 6 VAL HB H 1 1.722 0.000 . 1 . . . . 6 VAL HB . 11538 1
43 . 1 1 6 6 VAL HG11 H 1 0.905 0.000 . 2 . . . . 6 VAL HG11 . 11538 1
44 . 1 1 6 6 VAL HG12 H 1 0.905 0.000 . 2 . . . . 6 VAL HG12 . 11538 1
45 . 1 1 6 6 VAL HG13 H 1 0.905 0.000 . 2 . . . . 6 VAL HG13 . 11538 1
46 . 1 1 6 6 VAL HG21 H 1 0.905 0.000 . 2 . . . . 6 VAL HG21 . 11538 1
47 . 1 1 6 6 VAL HG22 H 1 0.905 0.000 . 2 . . . . 6 VAL HG22 . 11538 1
48 . 1 1 6 6 VAL HG23 H 1 0.905 0.000 . 2 . . . . 6 VAL HG23 . 11538 1
49 . 1 1 7 7 CYS H H 1 8.623 0.000 . 1 . . . . 7 CYS HN . 11538 1
50 . 1 1 7 7 CYS HA H 1 5.639 0.001 . 1 . . . . 7 CYS HA . 11538 1
51 . 1 1 7 7 CYS HB2 H 1 2.663 0.003 . 2 . . . . 7 CYS HB1 . 11538 1
52 . 1 1 7 7 CYS HB3 H 1 3.042 0.003 . 2 . . . . 7 CYS HB2 . 11538 1
53 . 1 1 8 8 TYR H H 1 9.113 0.000 . 1 . . . . 8 TYR HN . 11538 1
54 . 1 1 8 8 TYR HA H 1 4.750 0.001 . 1 . . . . 8 TYR HA . 11538 1
55 . 1 1 8 8 TYR HB2 H 1 3.039 0.000 . 1 . . . . 8 TYR HB1 . 11538 1
56 . 1 1 8 8 TYR HB3 H 1 3.039 0.000 . 1 . . . . 8 TYR HB2 . 11538 1
57 . 1 1 8 8 TYR HD1 H 1 7.236 0.001 . 3 . . . . 8 TYR HD1 . 11538 1
58 . 1 1 8 8 TYR HD2 H 1 7.236 0.001 . 3 . . . . 8 TYR HD2 . 11538 1
59 . 1 1 8 8 TYR HE1 H 1 6.847 0.001 . 3 . . . . 8 TYR HE1 . 11538 1
60 . 1 1 8 8 TYR HE2 H 1 6.847 0.001 . 3 . . . . 8 TYR HE2 . 11538 1
61 . 1 1 9 9 ARG H H 1 9.213 0.001 . 1 . . . . 9 ARG HN . 11538 1
62 . 1 1 9 9 ARG HA H 1 3.731 0.000 . 1 . . . . 9 ARG HA . 11538 1
63 . 1 1 9 9 ARG HB2 H 1 1.626 0.000 . 2 . . . . 9 ARG HB1 . 11538 1
64 . 1 1 9 9 ARG HB3 H 1 1.937 0.000 . 2 . . . . 9 ARG HB2 . 11538 1
65 . 1 1 9 9 ARG HD2 H 1 3.048 0.000 . 2 . . . . 9 ARG HD1 . 11538 1
66 . 1 1 9 9 ARG HD3 H 1 3.048 0.000 . 2 . . . . 9 ARG HD2 . 11538 1
67 . 1 1 9 9 ARG HG2 H 1 0.993 0.001 . 2 . . . . 9 ARG HG1 . 11538 1
68 . 1 1 9 9 ARG HG3 H 1 1.271 0.001 . 2 . . . . 9 ARG HG2 . 11538 1
69 . 1 1 10 10 GLY H H 1 8.529 0.001 . 1 . . . . 10 GLY HN . 11538 1
70 . 1 1 10 10 GLY HA2 H 1 3.576 0.000 . 2 . . . . 10 GLY HA1 . 11538 1
71 . 1 1 10 10 GLY HA3 H 1 4.165 0.000 . 2 . . . . 10 GLY HA2 . 11538 1
72 . 1 1 11 11 ILE H H 1 7.792 0.000 . 1 . . . . 11 ILE HN . 11538 1
73 . 1 1 11 11 ILE HA H 1 4.314 0.001 . 1 . . . . 11 ILE HA . 11538 1
74 . 1 1 11 11 ILE HB H 1 2.011 0.000 . 1 . . . . 11 ILE HB . 11538 1
75 . 1 1 11 11 ILE HD11 H 1 0.890 0.001 . 4 . . . . 11 ILE HD11 . 11538 1
76 . 1 1 11 11 ILE HD12 H 1 0.890 0.001 . 4 . . . . 11 ILE HD12 . 11538 1
77 . 1 1 11 11 ILE HD13 H 1 0.890 0.001 . 4 . . . . 11 ILE HD13 . 11538 1
78 . 1 1 11 11 ILE HG12 H 1 1.163 0.000 . 2 . . . . 11 ILE HG11 . 11538 1
79 . 1 1 11 11 ILE HG13 H 1 1.514 0.000 . 2 . . . . 11 ILE HG12 . 11538 1
80 . 1 1 11 11 ILE HG21 H 1 0.774 0.003 . 4 . . . . 11 ILE HG21 . 11538 1
81 . 1 1 11 11 ILE HG22 H 1 0.774 0.003 . 4 . . . . 11 ILE HG22 . 11538 1
82 . 1 1 11 11 ILE HG23 H 1 0.774 0.003 . 4 . . . . 11 ILE HG23 . 11538 1
83 . 1 1 12 12 CYS H H 1 8.532 0.002 . 1 . . . . 12 CYS HN . 11538 1
84 . 1 1 12 12 CYS HA H 1 5.682 0.001 . 1 . . . . 12 CYS HA . 11538 1
85 . 1 1 12 12 CYS HB2 H 1 2.553 0.000 . 2 . . . . 12 CYS HB1 . 11538 1
86 . 1 1 12 12 CYS HB3 H 1 2.955 0.002 . 2 . . . . 12 CYS HB2 . 11538 1
87 . 1 1 13 13 TYR H H 1 9.164 0.001 . 1 . . . . 13 TYR HN . 11538 1
88 . 1 1 13 13 TYR HA H 1 4.767 0.000 . 1 . . . . 13 TYR HA . 11538 1
89 . 1 1 13 13 TYR HB2 H 1 2.850 0.000 . 2 . . . . 13 TYR HB1 . 11538 1
90 . 1 1 13 13 TYR HB3 H 1 3.054 0.001 . 2 . . . . 13 TYR HB2 . 11538 1
91 . 1 1 13 13 TYR HD1 H 1 7.036 0.001 . 3 . . . . 13 TYR HD1 . 11538 1
92 . 1 1 13 13 TYR HD2 H 1 7.036 0.001 . 3 . . . . 13 TYR HD2 . 11538 1
93 . 1 1 13 13 TYR HE1 H 1 6.734 0.003 . 3 . . . . 13 TYR HE1 . 11538 1
94 . 1 1 13 13 TYR HE2 H 1 6.734 0.003 . 3 . . . . 13 TYR HE2 . 11538 1
95 . 1 1 14 14 ARG H H 1 8.637 0.001 . 1 . . . . 14 ARG HN . 11538 1
96 . 1 1 14 14 ARG HA H 1 4.809 0.001 . 1 . . . . 14 ARG HA . 11538 1
97 . 1 1 14 14 ARG HB2 H 1 1.697 0.000 . 2 . . . . 14 ARG HB1 . 11538 1
98 . 1 1 14 14 ARG HB3 H 1 1.697 0.000 . 2 . . . . 14 ARG HB2 . 11538 1
99 . 1 1 14 14 ARG HG2 H 1 1.346 0.000 . 2 . . . . 14 ARG HG1 . 11538 1
100 . 1 1 14 14 ARG HG3 H 1 1.462 0.000 . 2 . . . . 14 ARG HG2 . 11538 1
101 . 1 1 15 15 ARG H H 1 8.710 0.000 . 1 . . . . 15 ARG HN . 11538 1
102 . 1 1 15 15 ARG HA H 1 4.561 0.001 . 1 . . . . 15 ARG HA . 11538 1
103 . 1 1 15 15 ARG HB2 H 1 1.460 0.001 . 2 . . . . 15 ARG HB1 . 11538 1
104 . 1 1 15 15 ARG HB3 H 1 1.460 0.001 . 2 . . . . 15 ARG HB2 . 11538 1
105 . 1 1 15 15 ARG HE H 1 7.155 0.000 . 1 . . . . 15 ARG HE . 11538 1
106 . 1 1 15 15 ARG HG2 H 1 1.242 0.000 . 2 . . . . 15 ARG HG1 . 11538 1
107 . 1 1 15 15 ARG HG3 H 1 1.242 0.000 . 2 . . . . 15 ARG HG2 . 11538 1
108 . 1 1 16 16 CYS H H 1 8.622 0.000 . 1 . . . . 16 CYS HN . 11538 1
109 . 1 1 16 16 CYS HA H 1 5.458 0.001 . 1 . . . . 16 CYS HA . 11538 1
110 . 1 1 16 16 CYS HB2 H 1 2.775 0.001 . 2 . . . . 16 CYS HB1 . 11538 1
111 . 1 1 16 16 CYS HB3 H 1 2.995 0.000 . 2 . . . . 16 CYS HB2 . 11538 1
112 . 1 1 17 17 ARG H H 1 8.919 0.000 . 1 . . . . 17 ARG HN . 11538 1
113 . 1 1 17 17 ARG HA H 1 4.567 0.001 . 1 . . . . 17 ARG HA . 11538 1
114 . 1 1 17 17 ARG HB2 H 1 1.996 0.001 . 2 . . . . 17 ARG HB1 . 11538 1
115 . 1 1 17 17 ARG HB3 H 1 1.996 0.001 . 2 . . . . 17 ARG HB2 . 11538 1
116 . 1 1 17 17 ARG HD2 H 1 3.233 0.000 . 2 . . . . 17 ARG HD1 . 11538 1
117 . 1 1 17 17 ARG HD3 H 1 3.233 0.000 . 2 . . . . 17 ARG HD2 . 11538 1
118 . 1 1 17 17 ARG HG2 H 1 1.827 0.000 . 2 . . . . 17 ARG HG1 . 11538 1
119 . 1 1 17 17 ARG HG3 H 1 1.827 0.000 . 2 . . . . 17 ARG HG2 . 11538 1
120 . 1 1 18 18 NH2 HN1 H 1 7.870 0.000 . 2 . . . . 18 NH2 HN1 . 11538 1
121 . 1 1 18 18 NH2 HN2 H 1 7.284 0.000 . 2 . . . . 18 NH2 HN2 . 11538 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 75 11538 1
1 76 11538 1
1 77 11538 1
1 80 11538 1
1 81 11538 1
1 82 11538 1
stop_
save_