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 20016
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_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 NOESY' . . . 20016 1
2 '2D 1H-1H TOCSY' . . . 20016 1
3 '2D 1H-13C HSQC' . . . 20016 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $XEASY . . 20016 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 PHE HA H 1 4.282 0.01 . 1 . . . . 1 PHE HA . 20016 1
2 . 1 1 1 1 PHE HB2 H 1 3.229 0.01 . 2 . . . . 1 PHE HB2 . 20016 1
3 . 1 1 1 1 PHE HB3 H 1 3.179 0.01 . 2 . . . . 1 PHE HB3 . 20016 1
4 . 1 1 1 1 PHE HD1 H 1 7.335 0.01 . 3 . . . . 1 PHE QD . 20016 1
5 . 1 1 1 1 PHE HD2 H 1 7.335 0.01 . 3 . . . . 1 PHE QD . 20016 1
6 . 1 1 1 1 PHE HE1 H 1 7.254 0.01 . 3 . . . . 1 PHE QE . 20016 1
7 . 1 1 1 1 PHE HE2 H 1 7.254 0.01 . 3 . . . . 1 PHE QE . 20016 1
8 . 1 1 1 1 PHE CD1 C 13 131.517 0.10 . 5 . . . . 1 PHE CD1 . 20016 1
9 . 1 1 1 1 PHE CD2 C 13 131.517 0.10 . 5 . . . . 1 PHE CD2 . 20016 1
10 . 1 1 1 1 PHE CE1 C 13 130.828 0.10 . 5 . . . . 1 PHE CE1 . 20016 1
11 . 1 1 1 1 PHE CE2 C 13 130.828 0.10 . 5 . . . . 1 PHE CE2 . 20016 1
12 . 1 1 2 2 LEU H H 1 8.329 0.01 . 1 . . . . 2 LEU HN . 20016 1
13 . 1 1 2 2 LEU HA H 1 4.089 0.01 . 1 . . . . 2 LEU HA . 20016 1
14 . 1 1 2 2 LEU HB2 H 1 1.695 0.01 . 2 . . . . 2 LEU HB2 . 20016 1
15 . 1 1 2 2 LEU HB3 H 1 1.629 0.01 . 2 . . . . 2 LEU HB3 . 20016 1
16 . 1 1 2 2 LEU HD11 H 1 0.869 0.01 . 2 . . . . 2 LEU MD1 . 20016 1
17 . 1 1 2 2 LEU HD12 H 1 0.869 0.01 . 2 . . . . 2 LEU MD1 . 20016 1
18 . 1 1 2 2 LEU HD13 H 1 0.869 0.01 . 2 . . . . 2 LEU MD1 . 20016 1
19 . 1 1 2 2 LEU HD21 H 1 0.838 0.01 . 2 . . . . 2 LEU MD2 . 20016 1
20 . 1 1 2 2 LEU HD22 H 1 0.838 0.01 . 2 . . . . 2 LEU MD2 . 20016 1
21 . 1 1 2 2 LEU HD23 H 1 0.838 0.01 . 2 . . . . 2 LEU MD2 . 20016 1
22 . 1 1 2 2 LEU HG H 1 1.329 0.01 . 1 . . . . 2 LEU HG . 20016 1
23 . 1 1 2 2 LEU CA C 13 56.671 0.10 . 1 . . . . 2 LEU CA . 20016 1
24 . 1 1 2 2 LEU CB C 13 40.936 0.10 . 1 . . . . 2 LEU CB . 20016 1
25 . 1 1 2 2 LEU CD1 C 13 25.582 0.10 . 2 . . . . 2 LEU CD1 . 20016 1
26 . 1 1 2 2 LEU CD2 C 13 23.779 0.10 . 2 . . . . 2 LEU CD2 . 20016 1
27 . 1 1 2 2 LEU CG C 13 26.926 0.10 . 1 . . . . 2 LEU CG . 20016 1
28 . 1 1 3 3 SER H H 1 8.225 0.01 . 1 . . . . 3 SER HN . 20016 1
29 . 1 1 3 3 SER HA H 1 4.194 0.01 . 1 . . . . 3 SER HA . 20016 1
30 . 1 1 3 3 SER HB2 H 1 3.924 0.01 . 2 . . . . 3 SER QB . 20016 1
31 . 1 1 3 3 SER HB3 H 1 3.924 0.01 . 2 . . . . 3 SER QB . 20016 1
32 . 1 1 3 3 SER CA C 13 60.908 0.10 . 1 . . . . 3 SER CA . 20016 1
33 . 1 1 3 3 SER CB C 13 62.821 0.10 . 1 . . . . 3 SER CB . 20016 1
34 . 1 1 4 4 GLY H H 1 8.314 0.01 . 1 . . . . 4 GLY HN . 20016 1
35 . 1 1 4 4 GLY HA2 H 1 4.018 0.01 . 2 . . . . 4 GLY QA . 20016 1
36 . 1 1 4 4 GLY HA3 H 1 4.018 0.01 . 2 . . . . 4 GLY QA . 20016 1
37 . 1 1 4 4 GLY CA C 13 46.226 0.10 . 1 . . . . 4 GLY CA . 20016 1
38 . 1 1 5 5 ILE H H 1 7.765 0.01 . 1 . . . . 5 ILE HN . 20016 1
39 . 1 1 5 5 ILE HA H 1 3.956 0.01 . 1 . . . . 5 ILE HA . 20016 1
40 . 1 1 5 5 ILE HB H 1 2.026 0.01 . 1 . . . . 5 ILE HB . 20016 1
41 . 1 1 5 5 ILE HD11 H 1 0.919 0.01 . 1 . . . . 5 ILE MD . 20016 1
42 . 1 1 5 5 ILE HD12 H 1 0.919 0.01 . 1 . . . . 5 ILE MD . 20016 1
43 . 1 1 5 5 ILE HD13 H 1 0.919 0.01 . 1 . . . . 5 ILE MD . 20016 1
44 . 1 1 5 5 ILE HG12 H 1 1.648 0.01 . 2 . . . . 5 ILE HG12 . 20016 1
45 . 1 1 5 5 ILE HG13 H 1 1.277 0.01 . 2 . . . . 5 ILE HG13 . 20016 1
46 . 1 1 5 5 ILE HG21 H 1 0.966 0.01 . 1 . . . . 5 ILE MG . 20016 1
47 . 1 1 5 5 ILE HG22 H 1 0.966 0.01 . 1 . . . . 5 ILE MG . 20016 1
48 . 1 1 5 5 ILE HG23 H 1 0.966 0.01 . 1 . . . . 5 ILE MG . 20016 1
49 . 1 1 5 5 ILE CA C 13 63.992 0.10 . 1 . . . . 5 ILE CA . 20016 1
50 . 1 1 5 5 ILE CB C 13 37.915 0.10 . 1 . . . . 5 ILE CB . 20016 1
51 . 1 1 5 5 ILE CD1 C 13 13.443 0.10 . 1 . . . . 5 ILE CD1 . 20016 1
52 . 1 1 5 5 ILE CG1 C 13 28.937 0.10 . 1 . . . . 5 ILE CG1 . 20016 1
53 . 1 1 5 5 ILE CG2 C 13 17.739 0.10 . 1 . . . . 5 ILE CG2 . 20016 1
54 . 1 1 6 6 VAL H H 1 8.071 0.01 . 1 . . . . 6 VAL HN . 20016 1
55 . 1 1 6 6 VAL HA H 1 3.625 0.01 . 1 . . . . 6 VAL HA . 20016 1
56 . 1 1 6 6 VAL HB H 1 2.146 0.01 . 1 . . . . 6 VAL HB . 20016 1
57 . 1 1 6 6 VAL HG11 H 1 1.002 0.01 . 1 . . . . 6 VAL MG1 . 20016 1
58 . 1 1 6 6 VAL HG12 H 1 1.002 0.01 . 1 . . . . 6 VAL MG1 . 20016 1
59 . 1 1 6 6 VAL HG13 H 1 1.002 0.01 . 1 . . . . 6 VAL MG1 . 20016 1
60 . 1 1 6 6 VAL HG21 H 1 1.094 0.01 . 1 . . . . 6 VAL MG2 . 20016 1
61 . 1 1 6 6 VAL HG22 H 1 1.094 0.01 . 1 . . . . 6 VAL MG2 . 20016 1
62 . 1 1 6 6 VAL HG23 H 1 1.094 0.01 . 1 . . . . 6 VAL MG2 . 20016 1
63 . 1 1 6 6 VAL CA C 13 67.001 0.10 . 1 . . . . 6 VAL CA . 20016 1
64 . 1 1 6 6 VAL CB C 13 31.434 0.10 . 1 . . . . 6 VAL CB . 20016 1
65 . 1 1 6 6 VAL CG1 C 13 21.458 0.10 . 1 . . . . 6 VAL CG1 . 20016 1
66 . 1 1 6 6 VAL CG2 C 13 23.119 0.10 . 1 . . . . 6 VAL CG2 . 20016 1
67 . 1 1 7 7 GLY H H 1 8.095 0.01 . 1 . . . . 7 GLY HN . 20016 1
68 . 1 1 7 7 GLY HA2 H 1 3.951 0.01 . 2 . . . . 7 GLY HA2 . 20016 1
69 . 1 1 7 7 GLY HA3 H 1 3.920 0.01 . 2 . . . . 7 GLY HA3 . 20016 1
70 . 1 1 7 7 GLY CA C 13 46.610 0.10 . 1 . . . . 7 GLY CA . 20016 1
71 . 1 1 8 8 MET H H 1 7.832 0.01 . 1 . . . . 8 MET HN . 20016 1
72 . 1 1 8 8 MET HA H 1 4.300 0.01 . 1 . . . . 8 MET HA . 20016 1
73 . 1 1 8 8 MET HB2 H 1 2.291 0.01 . 2 . . . . 8 MET HB2 . 20016 1
74 . 1 1 8 8 MET HB3 H 1 2.138 0.01 . 2 . . . . 8 MET HB3 . 20016 1
75 . 1 1 8 8 MET HE1 H 1 2.077 0.01 . 1 . . . . 8 MET ME . 20016 1
76 . 1 1 8 8 MET HE2 H 1 2.077 0.01 . 1 . . . . 8 MET ME . 20016 1
77 . 1 1 8 8 MET HE3 H 1 2.077 0.01 . 1 . . . . 8 MET ME . 20016 1
78 . 1 1 8 8 MET HG2 H 1 2.667 0.01 . 2 . . . . 8 MET HG2 . 20016 1
79 . 1 1 8 8 MET HG3 H 1 2.614 0.01 . 2 . . . . 8 MET HG3 . 20016 1
80 . 1 1 8 8 MET CA C 13 58.172 0.10 . 1 . . . . 8 MET CA . 20016 1
81 . 1 1 8 8 MET CB C 13 32.605 0.10 . 1 . . . . 8 MET CB . 20016 1
82 . 1 1 8 8 MET CE C 13 17.324 0.10 . 1 . . . . 8 MET CE . 20016 1
83 . 1 1 8 8 MET CG C 13 32.478 0.10 . 1 . . . . 8 MET CG . 20016 1
84 . 1 1 9 9 LEU H H 1 8.249 0.01 . 1 . . . . 9 LEU HN . 20016 1
85 . 1 1 9 9 LEU HA H 1 4.140 0.01 . 1 . . . . 9 LEU HA . 20016 1
86 . 1 1 9 9 LEU HB2 H 1 2.052 0.01 . 1 . . . . 9 LEU HB2 . 20016 1
87 . 1 1 9 9 LEU HB3 H 1 1.581 0.01 . 1 . . . . 9 LEU HB3 . 20016 1
88 . 1 1 9 9 LEU HD11 H 1 0.970 0.01 . 2 . . . . 9 LEU MD1 . 20016 1
89 . 1 1 9 9 LEU HD12 H 1 0.970 0.01 . 2 . . . . 9 LEU MD1 . 20016 1
90 . 1 1 9 9 LEU HD13 H 1 0.970 0.01 . 2 . . . . 9 LEU MD1 . 20016 1
91 . 1 1 9 9 LEU HD21 H 1 0.965 0.01 . 2 . . . . 9 LEU MD2 . 20016 1
92 . 1 1 9 9 LEU HD22 H 1 0.965 0.01 . 2 . . . . 9 LEU MD2 . 20016 1
93 . 1 1 9 9 LEU HD23 H 1 0.965 0.01 . 2 . . . . 9 LEU MD2 . 20016 1
94 . 1 1 9 9 LEU HG H 1 2.010 0.01 . 1 . . . . 9 LEU HG . 20016 1
95 . 1 1 9 9 LEU CA C 13 57.868 0.10 . 1 . . . . 9 LEU CA . 20016 1
96 . 1 1 9 9 LEU CB C 13 41.606 0.10 . 1 . . . . 9 LEU CB . 20016 1
97 . 1 1 9 9 LEU CD1 C 13 26.000 0.10 . 2 . . . . 9 LEU CD1 . 20016 1
98 . 1 1 9 9 LEU CD2 C 13 23.303 0.10 . 2 . . . . 9 LEU CD2 . 20016 1
99 . 1 1 9 9 LEU CG C 13 27.026 0.10 . 1 . . . . 9 LEU CG . 20016 1
100 . 1 1 10 10 GLY H H 1 8.333 0.01 . 1 . . . . 10 GLY HN . 20016 1
101 . 1 1 10 10 GLY HA2 H 1 3.976 0.01 . 2 . . . . 10 GLY HA2 . 20016 1
102 . 1 1 10 10 GLY HA3 H 1 3.915 0.01 . 2 . . . . 10 GLY HA3 . 20016 1
103 . 1 1 10 10 GLY CA C 13 46.848 0.10 . 1 . . . . 10 GLY CA . 20016 1
104 . 1 1 11 11 LYS H H 1 7.607 0.01 . 1 . . . . 11 LYS HN . 20016 1
105 . 1 1 11 11 LYS HA H 1 4.166 0.01 . 1 . . . . 11 LYS HA . 20016 1
106 . 1 1 11 11 LYS HB2 H 1 1.967 0.01 . 2 . . . . 11 LYS QB . 20016 1
107 . 1 1 11 11 LYS HB3 H 1 1.967 0.01 . 2 . . . . 11 LYS QB . 20016 1
108 . 1 1 11 11 LYS HD2 H 1 1.726 0.01 . 2 . . . . 11 LYS QD . 20016 1
109 . 1 1 11 11 LYS HD3 H 1 1.726 0.01 . 2 . . . . 11 LYS QD . 20016 1
110 . 1 1 11 11 LYS HE2 H 1 3.002 0.01 . 2 . . . . 11 LYS QE . 20016 1
111 . 1 1 11 11 LYS HE3 H 1 3.002 0.01 . 2 . . . . 11 LYS QE . 20016 1
112 . 1 1 11 11 LYS HG2 H 1 1.600 0.01 . 2 . . . . 11 LYS HG2 . 20016 1
113 . 1 1 11 11 LYS HG3 H 1 1.479 0.01 . 2 . . . . 11 LYS HG3 . 20016 1
114 . 1 1 11 11 LYS CA C 13 58.191 0.10 . 1 . . . . 11 LYS CA . 20016 1
115 . 1 1 11 11 LYS CB C 13 32.521 0.10 . 1 . . . . 11 LYS CB . 20016 1
116 . 1 1 11 11 LYS CD C 13 29.098 0.10 . 1 . . . . 11 LYS CD . 20016 1
117 . 1 1 11 11 LYS CE C 13 42.037 0.10 . 1 . . . . 11 LYS CE . 20016 1
118 . 1 1 11 11 LYS CG C 13 25.140 0.10 . 1 . . . . 11 LYS CG . 20016 1
119 . 1 1 12 12 LEU H H 1 7.718 0.01 . 1 . . . . 12 LEU HN . 20016 1
120 . 1 1 12 12 LEU HA H 1 4.071 0.01 . 1 . . . . 12 LEU HA . 20016 1
121 . 1 1 12 12 LEU HB2 H 1 1.497 0.01 . 2 . . . . 12 LEU HB2 . 20016 1
122 . 1 1 12 12 LEU HB3 H 1 1.085 0.01 . 2 . . . . 12 LEU HB3 . 20016 1
123 . 1 1 12 12 LEU HD11 H 1 0.828 0.01 . 2 . . . . 12 LEU MD1 . 20016 1
124 . 1 1 12 12 LEU HD12 H 1 0.828 0.01 . 2 . . . . 12 LEU MD1 . 20016 1
125 . 1 1 12 12 LEU HD13 H 1 0.828 0.01 . 2 . . . . 12 LEU MD1 . 20016 1
126 . 1 1 12 12 LEU HD21 H 1 0.746 0.01 . 2 . . . . 12 LEU MD2 . 20016 1
127 . 1 1 12 12 LEU HD22 H 1 0.746 0.01 . 2 . . . . 12 LEU MD2 . 20016 1
128 . 1 1 12 12 LEU HD23 H 1 0.746 0.01 . 2 . . . . 12 LEU MD2 . 20016 1
129 . 1 1 12 12 LEU HG H 1 1.510 0.01 . 1 . . . . 12 LEU HG . 20016 1
130 . 1 1 12 12 LEU CA C 13 56.690 0.10 . 1 . . . . 12 LEU CA . 20016 1
131 . 1 1 12 12 LEU CB C 13 42.771 0.10 . 1 . . . . 12 LEU CB . 20016 1
132 . 1 1 12 12 LEU CD1 C 13 25.103 0.10 . 2 . . . . 12 LEU CD1 . 20016 1
133 . 1 1 12 12 LEU CD2 C 13 23.620 0.10 . 2 . . . . 12 LEU CD2 . 20016 1
134 . 1 1 12 12 LEU CG C 13 26.876 0.10 . 1 . . . . 12 LEU CG . 20016 1
135 . 1 1 13 13 PHE H H 1 7.855 0.01 . 1 . . . . 13 PHE HN . 20016 1
136 . 1 1 13 13 PHE HA H 1 4.636 0.01 . 1 . . . . 13 PHE HA . 20016 1
137 . 1 1 13 13 PHE HB2 H 1 3.346 0.01 . 2 . . . . 13 PHE HB2 . 20016 1
138 . 1 1 13 13 PHE HB3 H 1 2.872 0.01 . 2 . . . . 13 PHE HB3 . 20016 1
139 . 1 1 13 13 PHE HD1 H 1 7.354 0.01 . 3 . . . . 13 PHE QD . 20016 1
140 . 1 1 13 13 PHE HD2 H 1 7.354 0.01 . 3 . . . . 13 PHE QD . 20016 1
141 . 1 1 13 13 PHE HE1 H 1 7.233 0.01 . 3 . . . . 13 PHE QE . 20016 1
142 . 1 1 13 13 PHE HE2 H 1 7.233 0.01 . 3 . . . . 13 PHE QE . 20016 1
143 . 1 1 13 13 PHE HZ H 1 7.132 0.01 . 1 . . . . 13 PHE HZ . 20016 1
144 . 1 1 13 13 PHE CA C 13 57.631 0.10 . 1 . . . . 13 PHE CA . 20016 1
145 . 1 1 13 13 PHE CB C 13 40.275 0.10 . 1 . . . . 13 PHE CB . 20016 1
146 . 1 1 13 13 PHE CD1 C 13 132.082 0.10 . 5 . . . . 13 PHE CD1 . 20016 1
147 . 1 1 13 13 PHE CD2 C 13 132.082 0.10 . 5 . . . . 13 PHE CD2 . 20016 1
148 . 1 1 13 13 PHE CE1 C 13 130.911 0.10 . 5 . . . . 13 PHE CE1 . 20016 1
149 . 1 1 13 13 PHE CE2 C 13 130.911 0.10 . 5 . . . . 13 PHE CE2 . 20016 1
150 . 1 1 14 14 NH2 HN1 H 1 7.228 0.01 . 1 . . . . 13 PHE HT1 . 20016 1
151 . 1 1 14 14 NH2 HN2 H 1 7.016 0.01 . 1 . . . . 13 PHE HT2 . 20016 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 8 20016 1
1 9 20016 1
1 146 20016 1
1 147 20016 1
2 10 20016 1
2 11 20016 1
2 148 20016 1
2 149 20016 1
stop_
save_