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 18644
_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' . . . 18644 1
6 '2D 1H-13C HSQC' . . . 18644 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 4.001 0.000 . . . . . A 1 GLY HA2 . 18644 1
2 . 1 1 1 1 GLY HA3 H 1 3.513 0.000 . . . . . A 1 GLY HA3 . 18644 1
3 . 1 1 1 1 GLY H H 1 8.375 0.000 . . . . . A 1 GLY H1 . 18644 1
4 . 1 1 1 1 GLY CA C 13 46.450 0.000 . . . . . A 1 GLY CA . 18644 1
5 . 1 1 2 2 ARG H H 1 8.439 0.001 . . . . . A 2 ARG H . 18644 1
6 . 1 1 2 2 ARG HA H 1 4.080 0.000 . . . . . A 2 ARG HA . 18644 1
7 . 1 1 2 2 ARG HB2 H 1 1.522 0.000 . . . . . A 2 ARG HB2 . 18644 1
8 . 1 1 2 2 ARG HB3 H 1 1.340 0.000 . . . . . A 2 ARG HB3 . 18644 1
9 . 1 1 2 2 ARG HG2 H 1 1.309 0.000 . . . . . A 2 ARG HG2 . 18644 1
10 . 1 1 2 2 ARG HG3 H 1 1.169 0.000 . . . . . A 2 ARG HG3 . 18644 1
11 . 1 1 2 2 ARG HD2 H 1 2.938 0.000 . . . . . A 2 ARG QD . 18644 1
12 . 1 1 2 2 ARG HD3 H 1 2.938 0.000 . . . . . A 2 ARG HD3 . 18644 1
13 . 1 1 2 2 ARG HE H 1 6.969 0.000 . . . . . A 2 ARG HE . 18644 1
14 . 1 1 2 2 ARG CA C 13 55.903 0.000 . . . . . A 2 ARG CA . 18644 1
15 . 1 1 2 2 ARG CB C 13 30.356 0.000 . . . . . A 2 ARG CB . 18644 1
16 . 1 1 2 2 ARG CG C 13 26.581 0.000 . . . . . A 2 ARG CG . 18644 1
17 . 1 1 3 3 TYR H H 1 7.729 0.000 . . . . . A 3 TYR H . 18644 1
18 . 1 1 3 3 TYR HA H 1 4.560 0.000 . . . . . A 3 TYR HA . 18644 1
19 . 1 1 3 3 TYR HB2 H 1 2.893 0.000 . . . . . A 3 TYR HB2 . 18644 1
20 . 1 1 3 3 TYR HB3 H 1 2.791 0.000 . . . . . A 3 TYR HB3 . 18644 1
21 . 1 1 3 3 TYR HD1 H 1 7.060 0.000 . . . . . A 3 TYR HD1 . 18644 1
22 . 1 1 3 3 TYR HD2 H 1 7.060 0.000 . . . . . A 3 TYR HD2 . 18644 1
23 . 1 1 3 3 TYR HE1 H 1 6.715 0.000 . . . . . A 3 TYR HE1 . 18644 1
24 . 1 1 3 3 TYR HE2 H 1 6.715 0.000 . . . . . A 3 TYR HE2 . 18644 1
25 . 1 1 3 3 TYR CA C 13 56.937 0.000 . . . . . A 3 TYR CA . 18644 1
26 . 1 1 3 3 TYR CB C 13 39.850 0.000 . . . . . A 3 TYR CB . 18644 1
27 . 1 1 4 4 ARG H H 1 8.414 0.000 . . . . . A 4 ARG H . 18644 1
28 . 1 1 4 4 ARG HA H 1 4.522 0.000 . . . . . A 4 ARG HA . 18644 1
29 . 1 1 4 4 ARG HB2 H 1 1.645 0.000 . . . . . A 4 ARG HB2 . 18644 1
30 . 1 1 4 4 ARG HB3 H 1 1.454 0.000 . . . . . A 4 ARG HB3 . 18644 1
31 . 1 1 4 4 ARG HG2 H 1 1.257 0.000 . . . . . A 4 ARG QG . 18644 1
32 . 1 1 4 4 ARG HG3 H 1 1.257 0.000 . . . . . A 4 ARG HG3 . 18644 1
33 . 1 1 4 4 ARG HD2 H 1 2.955 0.000 . . . . . A 4 ARG QD . 18644 1
34 . 1 1 4 4 ARG HD3 H 1 2.955 0.000 . . . . . A 4 ARG HD3 . 18644 1
35 . 1 1 4 4 ARG HE H 1 7.051 0.000 . . . . . A 4 ARG HE . 18644 1
36 . 1 1 4 4 ARG CA C 13 55.663 0.000 . . . . . A 4 ARG CA . 18644 1
37 . 1 1 4 4 ARG CB C 13 31.104 0.000 . . . . . A 4 ARG CB . 18644 1
38 . 1 1 4 4 ARG CG C 13 27.641 0.000 . . . . . A 4 ARG CG . 18644 1
39 . 1 1 5 5 ARG H H 1 8.698 0.000 . . . . . A 5 ARG H . 18644 1
40 . 1 1 5 5 ARG HA H 1 4.353 0.000 . . . . . A 5 ARG HA . 18644 1
41 . 1 1 5 5 ARG HB2 H 1 1.352 0.000 . . . . . A 5 ARG HB2 . 18644 1
42 . 1 1 5 5 ARG HB3 H 1 1.164 0.000 . . . . . A 5 ARG HB3 . 18644 1
43 . 1 1 5 5 ARG HG2 H 1 1.436 0.000 . . . . . A 5 ARG HG2 . 18644 1
44 . 1 1 5 5 ARG HG3 H 1 1.350 0.000 . . . . . A 5 ARG HG3 . 18644 1
45 . 1 1 5 5 ARG HD2 H 1 3.069 0.000 . . . . . A 5 ARG HD2 . 18644 1
46 . 1 1 5 5 ARG HD3 H 1 3.001 0.000 . . . . . A 5 ARG HD3 . 18644 1
47 . 1 1 5 5 ARG HE H 1 7.633 0.000 . . . . . A 5 ARG HE . 18644 1
48 . 1 1 5 5 ARG CA C 13 54.612 0.000 . . . . . A 5 ARG CA . 18644 1
49 . 1 1 5 5 ARG CB C 13 31.884 0.000 . . . . . A 5 ARG CB . 18644 1
50 . 1 1 5 5 ARG CG C 13 27.142 0.000 . . . . . A 5 ARG CG . 18644 1
51 . 1 1 6 6 CYS H H 1 8.388 0.000 . . . . . A 6 CYS H . 18644 1
52 . 1 1 6 6 CYS HA H 1 5.598 0.000 . . . . . A 6 CYS HA . 18644 1
53 . 1 1 6 6 CYS HB2 H 1 2.763 0.000 . . . . . A 6 CYS HB2 . 18644 1
54 . 1 1 6 6 CYS HB3 H 1 2.635 0.000 . . . . . A 6 CYS HB3 . 18644 1
55 . 1 1 6 6 CYS CA C 13 54.999 0.000 . . . . . A 6 CYS CA . 18644 1
56 . 1 1 7 7 ILE H H 1 9.018 0.000 . . . . . A 7 ILE H . 18644 1
57 . 1 1 7 7 ILE HA H 1 4.606 0.000 . . . . . A 7 ILE HA . 18644 1
58 . 1 1 7 7 ILE HB H 1 2.029 0.000 . . . . . A 7 ILE HB . 18644 1
59 . 1 1 7 7 ILE HG12 H 1 1.597 0.000 . . . . . A 7 ILE HG12 . 18644 1
60 . 1 1 7 7 ILE HG13 H 1 1.361 0.000 . . . . . A 7 ILE HG13 . 18644 1
61 . 1 1 7 7 ILE HG21 H 1 0.991 0.000 . . . . . A 7 ILE HG21 . 18644 1
62 . 1 1 7 7 ILE HG22 H 1 0.991 0.000 . . . . . A 7 ILE HG22 . 18644 1
63 . 1 1 7 7 ILE HG23 H 1 0.991 0.000 . . . . . A 7 ILE HG23 . 18644 1
64 . 1 1 7 7 ILE HD11 H 1 0.913 0.000 . . . . . A 7 ILE HD11 . 18644 1
65 . 1 1 7 7 ILE HD12 H 1 0.913 0.000 . . . . . A 7 ILE HD12 . 18644 1
66 . 1 1 7 7 ILE HD13 H 1 0.913 0.000 . . . . . A 7 ILE HD13 . 18644 1
67 . 1 1 7 7 ILE CA C 13 58.210 0.000 . . . . . A 7 ILE CA . 18644 1
68 . 1 1 7 7 ILE CB C 13 39.448 0.000 . . . . . A 7 ILE CB . 18644 1
69 . 1 1 7 7 ILE CG1 C 13 26.706 0.000 . . . . . A 7 ILE CG1 . 18644 1
70 . 1 1 7 7 ILE CG2 C 13 17.284 0.000 . . . . . A 7 ILE CG2 . 18644 1
71 . 1 1 7 7 ILE CD1 C 13 12.857 0.000 . . . . . A 7 ILE CD1 . 18644 1
72 . 1 1 8 8 PRO HA H 1 4.331 0.000 . . . . . A 8 PRO HA . 18644 1
73 . 1 1 8 8 PRO HB2 H 1 2.226 0.000 . . . . . A 8 PRO HB2 . 18644 1
74 . 1 1 8 8 PRO HB3 H 1 1.833 0.000 . . . . . A 8 PRO HB3 . 18644 1
75 . 1 1 8 8 PRO HG2 H 1 2.024 0.000 . . . . . A 8 PRO HG2 . 18644 1
76 . 1 1 8 8 PRO HG3 H 1 1.891 0.000 . . . . . A 8 PRO HG3 . 18644 1
77 . 1 1 8 8 PRO HD2 H 1 3.827 0.000 . . . . . A 8 PRO HD2 . 18644 1
78 . 1 1 8 8 PRO HD3 H 1 3.671 0.000 . . . . . A 8 PRO HD3 . 18644 1
79 . 1 1 8 8 PRO CA C 13 63.543 0.000 . . . . . A 8 PRO CA . 18644 1
80 . 1 1 8 8 PRO CB C 13 32.165 0.000 . . . . . A 8 PRO CB . 18644 1
81 . 1 1 8 8 PRO CG C 13 27.423 0.000 . . . . . A 8 PRO CG . 18644 1
82 . 1 1 8 8 PRO CD C 13 51.005 0.000 . . . . . A 8 PRO CD . 18644 1
83 . 1 1 9 9 GLY H H 1 8.000 0.000 . . . . . A 9 GLY H . 18644 1
84 . 1 1 9 9 GLY HA2 H 1 4.126 0.000 . . . . . A 9 GLY HA2 . 18644 1
85 . 1 1 9 9 GLY HA3 H 1 3.923 0.000 . . . . . A 9 GLY HA3 . 18644 1
86 . 1 1 9 9 GLY CA C 13 44.422 0.000 . . . . . A 9 GLY CA . 18644 1
87 . 1 1 10 10 MET H H 1 8.239 0.000 . . . . . A 10 MET H . 18644 1
88 . 1 1 10 10 MET HA H 1 4.105 0.000 . . . . . A 10 MET HA . 18644 1
89 . 1 1 10 10 MET HB2 H 1 1.791 0.000 . . . . . A 10 MET HB2 . 18644 1
90 . 1 1 10 10 MET HB3 H 1 1.654 0.000 . . . . . A 10 MET HB3 . 18644 1
91 . 1 1 10 10 MET HG2 H 1 2.141 0.000 . . . . . A 10 MET HG2 . 18644 1
92 . 1 1 10 10 MET HG3 H 1 2.017 0.000 . . . . . A 10 MET HG3 . 18644 1
93 . 1 1 10 10 MET HE1 H 1 1.927 0.000 . . . . . A 10 MET HE1 . 18644 1
94 . 1 1 10 10 MET HE2 H 1 1.927 0.000 . . . . . A 10 MET HE2 . 18644 1
95 . 1 1 10 10 MET HE3 H 1 1.927 0.000 . . . . . A 10 MET HE3 . 18644 1
96 . 1 1 10 10 MET CA C 13 56.848 0.000 . . . . . A 10 MET CA . 18644 1
97 . 1 1 10 10 MET CB C 13 32.540 0.000 . . . . . A 10 MET CB . 18644 1
98 . 1 1 10 10 MET CG C 13 31.572 0.000 . . . . . A 10 MET CG . 18644 1
99 . 1 1 10 10 MET CE C 13 16.722 0.000 . . . . . A 10 MET CE . 18644 1
100 . 1 1 11 11 PHE H H 1 8.500 0.000 . . . . . A 11 PHE H . 18644 1
101 . 1 1 11 11 PHE HA H 1 4.574 0.000 . . . . . A 11 PHE HA . 18644 1
102 . 1 1 11 11 PHE HB2 H 1 3.179 0.000 . . . . . A 11 PHE HB2 . 18644 1
103 . 1 1 11 11 PHE HB3 H 1 2.924 0.000 . . . . . A 11 PHE HB3 . 18644 1
104 . 1 1 11 11 PHE HD1 H 1 7.182 0.000 . . . . . A 11 PHE HD1 . 18644 1
105 . 1 1 11 11 PHE HD2 H 1 7.182 0.000 . . . . . A 11 PHE HD2 . 18644 1
106 . 1 1 11 11 PHE HE1 H 1 7.269 0.000 . . . . . A 11 PHE HE1 . 18644 1
107 . 1 1 11 11 PHE HE2 H 1 7.269 0.000 . . . . . A 11 PHE HE2 . 18644 1
108 . 1 1 11 11 PHE HZ H 1 7.222 0.000 . . . . . A 11 PHE HZ . 18644 1
109 . 1 1 11 11 PHE CA C 13 58.122 0.000 . . . . . A 11 PHE CA . 18644 1
110 . 1 1 11 11 PHE CB C 13 39.555 0.000 . . . . . A 11 PHE CB . 18644 1
111 . 1 1 12 12 ARG H H 1 7.721 0.000 . . . . . A 12 ARG H . 18644 1
112 . 1 1 12 12 ARG HA H 1 4.349 0.000 . . . . . A 12 ARG HA . 18644 1
113 . 1 1 12 12 ARG HB2 H 1 1.904 0.000 . . . . . A 12 ARG HB2 . 18644 1
114 . 1 1 12 12 ARG HB3 H 1 1.693 0.000 . . . . . A 12 ARG HB3 . 18644 1
115 . 1 1 12 12 ARG HG2 H 1 1.477 0.000 . . . . . A 12 ARG HG2 . 18644 1
116 . 1 1 12 12 ARG HG3 H 1 1.370 0.000 . . . . . A 12 ARG HG3 . 18644 1
117 . 1 1 12 12 ARG HD2 H 1 3.077 0.000 . . . . . A 12 ARG QD . 18644 1
118 . 1 1 12 12 ARG HD3 H 1 3.077 0.000 . . . . . A 12 ARG HD3 . 18644 1
119 . 1 1 12 12 ARG HE H 1 7.079 0.000 . . . . . A 12 ARG HE . 18644 1
120 . 1 1 12 12 ARG CA C 13 55.153 0.000 . . . . . A 12 ARG CA . 18644 1
121 . 1 1 12 12 ARG CB C 13 31.385 0.000 . . . . . A 12 ARG CB . 18644 1
122 . 1 1 12 12 ARG CG C 13 26.019 0.000 . . . . . A 12 ARG CG . 18644 1
123 . 1 1 13 13 ALA H H 1 8.230 0.000 . . . . . A 13 ALA H . 18644 1
124 . 1 1 13 13 ALA HA H 1 4.385 0.000 . . . . . A 13 ALA HA . 18644 1
125 . 1 1 13 13 ALA HB1 H 1 1.214 0.000 . . . . . A 13 ALA HB1 . 18644 1
126 . 1 1 13 13 ALA HB2 H 1 1.214 0.000 . . . . . A 13 ALA HB2 . 18644 1
127 . 1 1 13 13 ALA HB3 H 1 1.214 0.000 . . . . . A 13 ALA HB3 . 18644 1
128 . 1 1 13 13 ALA CA C 13 52.345 0.000 . . . . . A 13 ALA CA . 18644 1
129 . 1 1 13 13 ALA CB C 13 19.530 0.000 . . . . . A 13 ALA CB . 18644 1
130 . 1 1 14 14 TYR H H 1 8.483 0.000 . . . . . A 14 TYR H . 18644 1
131 . 1 1 14 14 TYR HA H 1 4.738 0.000 . . . . . A 14 TYR HA . 18644 1
132 . 1 1 14 14 TYR HB2 H 1 2.876 0.000 . . . . . A 14 TYR QB . 18644 1
133 . 1 1 14 14 TYR HB3 H 1 2.876 0.000 . . . . . A 14 TYR HB3 . 18644 1
134 . 1 1 14 14 TYR HD1 H 1 7.004 0.000 . . . . . A 14 TYR HD1 . 18644 1
135 . 1 1 14 14 TYR HD2 H 1 7.004 0.000 . . . . . A 14 TYR HD2 . 18644 1
136 . 1 1 14 14 TYR HE1 H 1 6.611 0.000 . . . . . A 14 TYR HE1 . 18644 1
137 . 1 1 14 14 TYR HE2 H 1 6.611 0.000 . . . . . A 14 TYR HE2 . 18644 1
138 . 1 1 14 14 TYR CA C 13 57.025 0.000 . . . . . A 14 TYR CA . 18644 1
139 . 1 1 14 14 TYR CB C 13 39.871 0.000 . . . . . A 14 TYR CB . 18644 1
140 . 1 1 15 15 CYS H H 1 8.230 0.000 . . . . . A 15 CYS H . 18644 1
141 . 1 1 15 15 CYS HA H 1 5.359 0.000 . . . . . A 15 CYS HA . 18644 1
142 . 1 1 15 15 CYS HB2 H 1 2.864 0.000 . . . . . A 15 CYS HB2 . 18644 1
143 . 1 1 15 15 CYS HB3 H 1 2.473 0.000 . . . . . A 15 CYS HB3 . 18644 1
144 . 1 1 15 15 CYS CA C 13 54.922 0.000 . . . . . A 15 CYS CA . 18644 1
145 . 1 1 16 16 TYR H H 1 8.902 0.000 . . . . . A 16 TYR H . 18644 1
146 . 1 1 16 16 TYR HA H 1 4.638 0.000 . . . . . A 16 TYR HA . 18644 1
147 . 1 1 16 16 TYR HB2 H 1 2.853 0.000 . . . . . A 16 TYR HB2 . 18644 1
148 . 1 1 16 16 TYR HB3 H 1 2.776 0.000 . . . . . A 16 TYR HB3 . 18644 1
149 . 1 1 16 16 TYR HD1 H 1 6.715 0.000 . . . . . A 16 TYR HD1 . 18644 1
150 . 1 1 16 16 TYR HD2 H 1 6.715 0.000 . . . . . A 16 TYR HD2 . 18644 1
151 . 1 1 16 16 TYR HE1 H 1 6.566 0.000 . . . . . A 16 TYR HE1 . 18644 1
152 . 1 1 16 16 TYR HE2 H 1 6.566 0.000 . . . . . A 16 TYR HE2 . 18644 1
153 . 1 1 16 16 TYR CA C 13 55.796 0.000 . . . . . A 16 TYR CA . 18644 1
154 . 1 1 16 16 TYR CB C 13 39.930 0.000 . . . . . A 16 TYR CB . 18644 1
155 . 1 1 17 17 MET H H 1 8.443 0.000 . . . . . A 17 MET H . 18644 1
156 . 1 1 17 17 MET HA H 1 4.745 0.000 . . . . . A 17 MET HA . 18644 1
157 . 1 1 17 17 MET HB2 H 1 1.918 0.000 . . . . . A 17 MET QB . 18644 1
158 . 1 1 17 17 MET HB3 H 1 1.918 0.000 . . . . . A 17 MET HB3 . 18644 1
159 . 1 1 17 17 MET HG2 H 1 2.509 0.000 . . . . . A 17 MET HG2 . 18644 1
160 . 1 1 17 17 MET HG3 H 1 2.355 0.000 . . . . . A 17 MET HG3 . 18644 1
161 . 1 1 17 17 MET HE1 H 1 1.776 0.000 . . . . . A 17 MET HE1 . 18644 1
162 . 1 1 17 17 MET HE2 H 1 1.776 0.000 . . . . . A 17 MET HE2 . 18644 1
163 . 1 1 17 17 MET HE3 H 1 1.776 0.000 . . . . . A 17 MET HE3 . 18644 1
164 . 1 1 17 17 MET CA C 13 53.382 0.000 . . . . . A 17 MET CA . 18644 1
165 . 1 1 17 17 MET CB C 13 30.824 0.000 . . . . . A 17 MET CB . 18644 1
166 . 1 1 17 17 MET CG C 13 31.354 0.000 . . . . . A 17 MET CG . 18644 1
167 . 1 1 17 17 MET CE C 13 15.256 0.000 . . . . . A 17 MET CE . 18644 1
168 . 1 1 18 18 ASP H H 1 8.828 0.000 . . . . . A 18 ASP H . 18644 1
169 . 1 1 18 18 ASP HA H 1 4.764 0.000 . . . . . A 18 ASP HA . 18644 1
170 . 1 1 18 18 ASP HB2 H 1 2.901 0.000 . . . . . A 18 ASP HB2 . 18644 1
171 . 1 1 18 18 ASP HB3 H 1 2.380 0.000 . . . . . A 18 ASP HB3 . 18644 1
172 . 1 1 18 18 ASP CA C 13 51.839 0.000 . . . . . A 18 ASP CA . 18644 1
173 . 1 1 18 18 ASP CB C 13 39.682 0.000 . . . . . A 18 ASP CB . 18644 1
stop_
save_