Content for NMR-STAR saveframe, "assigned_chem_shift_list_1_2"
save_assigned_chem_shift_list_1_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2
_Assigned_chem_shift_list.Entry_ID 26003
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Standard
_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
16 '2D 1H-15N HSQC/HMQC' 2 $15N isotropic 26003 2
17 '2D 1H-1H TOCSY' 2 $15N isotropic 26003 2
18 '2D 1H-1H NOESY' 2 $15N isotropic 26003 2
18 '2D 1H-1H NOESY' 2 $15N isotropic 26003 2
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
4 $CcpNmr_Analysis 1 $CNS 26003 2
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 HA2 H 1 3.763 0.0 . 1 . . 288 . . 1 GLY HA2 . 26003 2
2 . 1 1 1 1 GLY HA3 H 1 3.763 0.0 . 1 . . 287 . . 1 GLY HA3 . 26003 2
3 . 1 1 2 2 LEU H H 1 8.468 0.002 . 1 . . 280 . . 2 LEU H . 26003 2
4 . 1 1 2 2 LEU HA H 1 4.291 0.004 . 1 . . 281 . . 2 LEU HA . 26003 2
5 . 1 1 2 2 LEU HB2 H 1 1.524 0.002 . 1 . . 283 . . 2 LEU HB2 . 26003 2
6 . 1 1 2 2 LEU HB3 H 1 1.524 0.002 . 1 . . 282 . . 2 LEU HB3 . 26003 2
7 . 1 1 2 2 LEU HG H 1 1.532 0.003 . 1 . . 284 . . 2 LEU HG . 26003 2
8 . 1 1 2 2 LEU HD11 H 1 0.809 0.002 . 2 . . 285 . . 2 LEU HD11 . 26003 2
9 . 1 1 2 2 LEU HD12 H 1 0.809 0.002 . 2 . . 285 . . 2 LEU HD12 . 26003 2
10 . 1 1 2 2 LEU HD13 H 1 0.809 0.002 . 2 . . 285 . . 2 LEU HD13 . 26003 2
11 . 1 1 2 2 LEU HD21 H 1 0.844 0.003 . 2 . . 286 . . 2 LEU HD21 . 26003 2
12 . 1 1 2 2 LEU HD22 H 1 0.844 0.003 . 2 . . 286 . . 2 LEU HD22 . 26003 2
13 . 1 1 2 2 LEU HD23 H 1 0.844 0.003 . 2 . . 286 . . 2 LEU HD23 . 26003 2
14 . 1 1 2 2 LEU N N 15 126.390 . . 1 . . 294 . . 2 LEU N . 26003 2
15 . 1 1 3 3 ILE H H 1 8.180 0.01 . 1 . . 22 . . 3 ILE H . 26003 2
16 . 1 1 3 3 ILE HA H 1 4.095 0.003 . 1 . . 201 . . 3 ILE HA . 26003 2
17 . 1 1 3 3 ILE HB H 1 1.775 0.004 . 1 . . 184 . . 3 ILE HB . 26003 2
18 . 1 1 3 3 ILE HG12 H 1 1.119 0.001 . 2 . . 346 . . 3 ILE HG12 . 26003 2
19 . 1 1 3 3 ILE HG13 H 1 1.409 0.001 . 2 . . 347 . . 3 ILE HG13 . 26003 2
20 . 1 1 3 3 ILE HG21 H 1 0.821 0.005 . 1 . . 247 . . 3 ILE HG21 . 26003 2
21 . 1 1 3 3 ILE HG22 H 1 0.821 0.005 . 1 . . 247 . . 3 ILE HG22 . 26003 2
22 . 1 1 3 3 ILE HG23 H 1 0.821 0.005 . 1 . . 247 . . 3 ILE HG23 . 26003 2
23 . 1 1 3 3 ILE HD11 H 1 0.778 0.001 . 1 . . 345 . . 3 ILE HD11 . 26003 2
24 . 1 1 3 3 ILE HD12 H 1 0.778 0.001 . 1 . . 345 . . 3 ILE HD12 . 26003 2
25 . 1 1 3 3 ILE HD13 H 1 0.778 0.001 . 1 . . 345 . . 3 ILE HD13 . 26003 2
26 . 1 1 3 3 ILE N N 15 121.989 . . 1 . . 23 . . 3 ILE N . 26003 2
27 . 1 1 4 4 GLU H H 1 8.454 0.001 . 1 . . 47 . . 4 GLU H . 26003 2
28 . 1 1 4 4 GLU HA H 1 4.233 0.001 . 1 . . 314 . . 4 GLU HA . 26003 2
29 . 1 1 4 4 GLU HB2 H 1 1.866 0.002 . 2 . . 63 . . 4 GLU HB2 . 26003 2
30 . 1 1 4 4 GLU HB3 H 1 1.971 0.003 . 2 . . 313 . . 4 GLU HB3 . 26003 2
31 . 1 1 4 4 GLU HG2 H 1 2.178 0.0 . 1 . . 178 . . 4 GLU HG2 . 26003 2
32 . 1 1 4 4 GLU HG3 H 1 2.178 0.0 . 1 . . 177 . . 4 GLU HG3 . 26003 2
33 . 1 1 4 4 GLU N N 15 125.446 . . 1 . . 48 . . 4 GLU N . 26003 2
34 . 1 1 5 5 SER H H 1 8.230 0.001 . 1 . . 17 . . 5 SER H . 26003 2
35 . 1 1 5 5 SER HA H 1 4.384 0.001 . 1 . . 296 . . 5 SER HA . 26003 2
36 . 1 1 5 5 SER HB2 H 1 3.773 0.002 . 1 . . 129 . . 5 SER HB2 . 26003 2
37 . 1 1 5 5 SER HB3 H 1 3.773 0.002 . 1 . . 130 . . 5 SER HB3 . 26003 2
38 . 1 1 5 5 SER N N 15 117.164 . . 1 . . 295 . . 5 SER N . 26003 2
39 . 1 1 6 6 ILE H H 1 8.067 0.003 . 1 . . 13 . . 6 ILE H . 26003 2
40 . 1 1 6 6 ILE HA H 1 4.131 0.003 . 1 . . 138 . . 6 ILE HA . 26003 2
41 . 1 1 6 6 ILE HB H 1 1.804 0.003 . 1 . . 137 . . 6 ILE HB . 26003 2
42 . 1 1 6 6 ILE HG12 H 1 1.110 0.001 . 2 . . 343 . . 6 ILE HG12 . 26003 2
43 . 1 1 6 6 ILE HG13 H 1 1.383 0.001 . 2 . . 344 . . 6 ILE HG13 . 26003 2
44 . 1 1 6 6 ILE HG21 H 1 0.847 0.001 . 1 . . 242 . . 6 ILE HG21 . 26003 2
45 . 1 1 6 6 ILE HG22 H 1 0.847 0.001 . 1 . . 242 . . 6 ILE HG22 . 26003 2
46 . 1 1 6 6 ILE HG23 H 1 0.847 0.001 . 1 . . 242 . . 6 ILE HG23 . 26003 2
47 . 1 1 6 6 ILE HD11 H 1 0.785 0.001 . 1 . . 342 . . 6 ILE HD11 . 26003 2
48 . 1 1 6 6 ILE HD12 H 1 0.785 0.001 . 1 . . 342 . . 6 ILE HD12 . 26003 2
49 . 1 1 6 6 ILE HD13 H 1 0.785 0.001 . 1 . . 342 . . 6 ILE HD13 . 26003 2
50 . 1 1 6 6 ILE N N 15 122.664 . . 1 . . 14 . . 6 ILE N . 26003 2
51 . 1 1 7 7 ALA H H 1 8.317 0.002 . 1 . . 45 . . 7 ALA H . 26003 2
52 . 1 1 7 7 ALA HA H 1 4.368 0.001 . 1 . . 289 . . 7 ALA HA . 26003 2
53 . 1 1 7 7 ALA HB1 H 1 1.316 0.001 . 1 . . 66 . . 7 ALA HB1 . 26003 2
54 . 1 1 7 7 ALA HB2 H 1 1.316 0.001 . 1 . . 66 . . 7 ALA HB2 . 26003 2
55 . 1 1 7 7 ALA HB3 H 1 1.316 0.001 . 1 . . 66 . . 7 ALA HB3 . 26003 2
56 . 1 1 7 7 ALA N N 15 128.409 . . 1 . . 46 . . 7 ALA N . 26003 2
57 . 1 1 8 8 CYS H H 1 8.084 0.001 . 1 . . 55 . . 8 CYS H . 26003 2
58 . 1 1 8 8 CYS HA H 1 4.721 . . 1 . . 73 . . 8 CYS HA . 26003 2
59 . 1 1 8 8 CYS HB2 H 1 2.879 0.001 . 2 . . 292 . . 8 CYS HB2 . 26003 2
60 . 1 1 8 8 CYS HB3 H 1 3.139 0.001 . 2 . . 293 . . 8 CYS HB3 . 26003 2
61 . 1 1 8 8 CYS N N 15 116.494 . . 1 . . 56 . . 8 CYS N . 26003 2
62 . 1 1 9 9 MET H H 1 9.140 0.002 . 1 . . 9 . . 9 MET H . 26003 2
63 . 1 1 9 9 MET HA H 1 4.890 0.002 . 1 . . 156 . . 9 MET HA . 26003 2
64 . 1 1 9 9 MET HB2 H 1 1.968 0.003 . 2 . . 157 . . 9 MET HB2 . 26003 2
65 . 1 1 9 9 MET HB3 H 1 2.314 0.001 . 2 . . 158 . . 9 MET HB3 . 26003 2
66 . 1 1 9 9 MET HG2 H 1 2.629 0.002 . 2 . . 159 . . 9 MET HG2 . 26003 2
67 . 1 1 9 9 MET HG3 H 1 3.050 0.003 . 2 . . 316 . . 9 MET HG3 . 26003 2
68 . 1 1 9 9 MET HE1 H 1 2.075 0.0 . 1 . . 318 . . 9 MET HE1 . 26003 2
69 . 1 1 9 9 MET HE2 H 1 2.075 0.0 . 1 . . 318 . . 9 MET HE2 . 26003 2
70 . 1 1 9 9 MET HE3 H 1 2.075 0.0 . 1 . . 318 . . 9 MET HE3 . 26003 2
71 . 1 1 9 9 MET N N 15 118.041 . . 1 . . 10 . . 9 MET N . 26003 2
72 . 1 1 10 10 GLN H H 1 8.118 0.002 . 1 . . 57 . . 10 GLN H . 26003 2
73 . 1 1 10 10 GLN HA H 1 4.374 0.002 . 1 . . 213 . . 10 GLN HA . 26003 2
74 . 1 1 10 10 GLN HB2 H 1 1.922 0.001 . 2 . . 169 . . 10 GLN HB2 . 26003 2
75 . 1 1 10 10 GLN HB3 H 1 2.318 0.003 . 2 . . 170 . . 10 GLN HB3 . 26003 2
76 . 1 1 10 10 GLN HG2 H 1 2.463 0.003 . 2 . . 320 . . 10 GLN HG2 . 26003 2
77 . 1 1 10 10 GLN HG3 H 1 2.516 0.002 . 2 . . 321 . . 10 GLN HG3 . 26003 2
78 . 1 1 10 10 GLN HE21 H 1 7.532 0.0 . 1 . . 26 . . 10 GLN HE21 . 26003 2
79 . 1 1 10 10 GLN HE22 H 1 6.823 0.001 . 1 . . 30 . . 10 GLN HE22 . 26003 2
80 . 1 1 10 10 GLN N N 15 123.848 . . 1 . . 58 . . 10 GLN N . 26003 2
81 . 1 1 10 10 GLN NE2 N 15 112.684 0.013 . 1 . . 27 . . 10 GLN NE2 . 26003 2
82 . 1 1 11 11 LYS H H 1 8.318 . . 1 . . 49 . . 11 LYS H . 26003 2
83 . 1 1 11 11 LYS HA H 1 3.526 0.002 . 1 . . 329 . . 11 LYS HA . 26003 2
84 . 1 1 11 11 LYS HB2 H 1 1.495 0.002 . 2 . . 332 . . 11 LYS HB2 . 26003 2
85 . 1 1 11 11 LYS HB3 H 1 1.792 0.004 . 2 . . 335 . . 11 LYS HB3 . 26003 2
86 . 1 1 11 11 LYS HG2 H 1 1.080 0.002 . 2 . . 330 . . 11 LYS HG2 . 26003 2
87 . 1 1 11 11 LYS HG3 H 1 1.148 0.002 . 2 . . 331 . . 11 LYS HG3 . 26003 2
88 . 1 1 11 11 LYS HD2 H 1 1.568 0.002 . 2 . . 333 . . 11 LYS HD2 . 26003 2
89 . 1 1 11 11 LYS HD3 H 1 1.652 0.002 . 2 . . 334 . . 11 LYS HD3 . 26003 2
90 . 1 1 11 11 LYS HE2 H 1 2.963 0.002 . 2 . . 336 . . 11 LYS HE2 . 26003 2
91 . 1 1 11 11 LYS HE3 H 1 2.997 0.003 . 2 . . 337 . . 11 LYS HE3 . 26003 2
92 . 1 1 11 11 LYS N N 15 118.947 . . 1 . . 50 . . 11 LYS N . 26003 2
93 . 1 1 12 12 GLY H H 1 9.449 0.001 . 1 . . 20 . . 12 GLY H . 26003 2
94 . 1 1 12 12 GLY HA2 H 1 3.625 0.001 . 2 . . 290 . . 12 GLY HA2 . 26003 2
95 . 1 1 12 12 GLY HA3 H 1 4.147 0.002 . 2 . . 291 . . 12 GLY HA3 . 26003 2
96 . 1 1 12 12 GLY N N 15 113.311 . . 1 . . 21 . . 12 GLY N . 26003 2
97 . 1 1 13 13 LEU H H 1 7.593 0.003 . 1 . . 5 . . 13 LEU H . 26003 2
98 . 1 1 13 13 LEU HA H 1 4.869 0.002 . 1 . . 207 . . 13 LEU HA . 26003 2
99 . 1 1 13 13 LEU HB2 H 1 2.015 0.007 . 2 . . 139 . . 13 LEU HB2 . 26003 2
100 . 1 1 13 13 LEU HB3 H 1 1.725 0.002 . 2 . . 348 . . 13 LEU HB3 . 26003 2
101 . 1 1 13 13 LEU HG H 1 1.692 0.003 . 1 . . 254 . . 13 LEU HG . 26003 2
102 . 1 1 13 13 LEU HD11 H 1 0.882 0.002 . 2 . . 349 . . 13 LEU HD11 . 26003 2
103 . 1 1 13 13 LEU HD12 H 1 0.882 0.002 . 2 . . 349 . . 13 LEU HD12 . 26003 2
104 . 1 1 13 13 LEU HD13 H 1 0.882 0.002 . 2 . . 349 . . 13 LEU HD13 . 26003 2
105 . 1 1 13 13 LEU HD21 H 1 0.990 0.002 . 2 . . 350 . . 13 LEU HD21 . 26003 2
106 . 1 1 13 13 LEU HD22 H 1 0.990 0.002 . 2 . . 350 . . 13 LEU HD22 . 26003 2
107 . 1 1 13 13 LEU HD23 H 1 0.990 0.002 . 2 . . 350 . . 13 LEU HD23 . 26003 2
108 . 1 1 13 13 LEU N N 15 123.469 . . 1 . . 6 . . 13 LEU N . 26003 2
109 . 1 1 14 14 PRO HA H 1 4.476 0.002 . 1 . . 328 . . 14 PRO HA . 26003 2
110 . 1 1 14 14 PRO HB2 H 1 1.624 0.003 . 2 . . 322 . . 14 PRO HB2 . 26003 2
111 . 1 1 14 14 PRO HB3 H 1 2.113 0.002 . 2 . . 323 . . 14 PRO HB3 . 26003 2
112 . 1 1 14 14 PRO HG2 H 1 1.918 0.003 . 2 . . 324 . . 14 PRO HG2 . 26003 2
113 . 1 1 14 14 PRO HG3 H 1 2.013 0.002 . 2 . . 325 . . 14 PRO HG3 . 26003 2
114 . 1 1 14 14 PRO HD2 H 1 3.603 0.003 . 2 . . 326 . . 14 PRO HD2 . 26003 2
115 . 1 1 14 14 PRO HD3 H 1 3.932 0.002 . 2 . . 327 . . 14 PRO HD3 . 26003 2
116 . 1 1 15 15 CYS H H 1 7.785 0.001 . 1 . . 1 . . 15 CYS H . 26003 2
117 . 1 1 15 15 CYS HA H 1 4.553 0.002 . 1 . . 262 . . 15 CYS HA . 26003 2
118 . 1 1 15 15 CYS HB2 H 1 2.978 0.003 . 2 . . 310 . . 15 CYS HB2 . 26003 2
119 . 1 1 15 15 CYS HB3 H 1 3.035 0.002 . 2 . . 311 . . 15 CYS HB3 . 26003 2
120 . 1 1 15 15 CYS N N 15 114.655 . . 1 . . 2 . . 15 CYS N . 26003 2
121 . 1 1 16 16 MET H H 1 8.979 0.003 . 1 . . 24 . . 16 MET H . 26003 2
122 . 1 1 16 16 MET HA H 1 4.512 0.003 . 1 . . 134 . . 16 MET HA . 26003 2
123 . 1 1 16 16 MET HB2 H 1 1.951 0.001 . 2 . . 171 . . 16 MET HB2 . 26003 2
124 . 1 1 16 16 MET HB3 H 1 1.911 0.001 . 2 . . 319 . . 16 MET HB3 . 26003 2
125 . 1 1 16 16 MET HG2 H 1 2.329 0.001 . 2 . . 172 . . 16 MET HG2 . 26003 2
126 . 1 1 16 16 MET HG3 H 1 2.450 0.002 . 2 . . 173 . . 16 MET HG3 . 26003 2
127 . 1 1 16 16 MET HE1 H 1 1.970 0.0 . 1 . . 317 . . 16 MET HE1 . 26003 2
128 . 1 1 16 16 MET HE2 H 1 1.970 0.0 . 1 . . 317 . . 16 MET HE2 . 26003 2
129 . 1 1 16 16 MET HE3 H 1 1.970 0.0 . 1 . . 317 . . 16 MET HE3 . 26003 2
130 . 1 1 16 16 MET N N 15 116.906 . . 1 . . 25 . . 16 MET N . 26003 2
131 . 1 1 17 17 GLU H H 1 8.025 0.003 . 1 . . 35 . . 17 GLU H . 26003 2
132 . 1 1 17 17 GLU HA H 1 4.502 0.001 . 1 . . 64 . . 17 GLU HA . 26003 2
133 . 1 1 17 17 GLU HB2 H 1 1.567 0.001 . 1 . . 231 . . 17 GLU HB2 . 26003 2
134 . 1 1 17 17 GLU HB3 H 1 1.567 0.001 . 1 . . 230 . . 17 GLU HB3 . 26003 2
135 . 1 1 17 17 GLU HG2 H 1 2.127 0.001 . 2 . . 175 . . 17 GLU HG2 . 26003 2
136 . 1 1 17 17 GLU HG3 H 1 2.046 0.002 . 2 . . 315 . . 17 GLU HG3 . 26003 2
137 . 1 1 17 17 GLU N N 15 118.685 . . 1 . . 36 . . 17 GLU N . 26003 2
138 . 1 1 18 18 HIS H H 1 7.923 0.002 . 1 . . 212 . . 18 HIS H . 26003 2
139 . 1 1 18 18 HIS HA H 1 4.194 0.004 . 1 . . 210 . . 18 HIS HA . 26003 2
140 . 1 1 18 18 HIS HB2 H 1 2.891 0.003 . 2 . . 268 . . 18 HIS HB2 . 26003 2
141 . 1 1 18 18 HIS HB3 H 1 3.259 0.002 . 2 . . 269 . . 18 HIS HB3 . 26003 2
142 . 1 1 18 18 HIS HD2 H 1 7.085 0.001 . 1 . . 218 . . 18 HIS HD2 . 26003 2
143 . 1 1 18 18 HIS HE1 H 1 7.854 0.002 . 1 . . 216 . . 18 HIS HE1 . 26003 2
144 . 1 1 18 18 HIS N N 15 122.984 . . 1 . . 270 . . 18 HIS N . 26003 2
145 . 1 1 19 19 VAL H H 1 7.550 0.001 . 1 . . 39 . . 19 VAL H . 26003 2
146 . 1 1 19 19 VAL HA H 1 4.067 0.002 . 1 . . 62 . . 19 VAL HA . 26003 2
147 . 1 1 19 19 VAL HB H 1 2.218 0.002 . 1 . . 302 . . 19 VAL HB . 26003 2
148 . 1 1 19 19 VAL HG11 H 1 0.919 0.001 . 2 . . 300 . . 19 VAL HG11 . 26003 2
149 . 1 1 19 19 VAL HG12 H 1 0.919 0.001 . 2 . . 300 . . 19 VAL HG12 . 26003 2
150 . 1 1 19 19 VAL HG13 H 1 0.919 0.001 . 2 . . 300 . . 19 VAL HG13 . 26003 2
151 . 1 1 19 19 VAL HG21 H 1 0.904 0.003 . 2 . . 301 . . 19 VAL HG21 . 26003 2
152 . 1 1 19 19 VAL HG22 H 1 0.904 0.003 . 2 . . 301 . . 19 VAL HG22 . 26003 2
153 . 1 1 19 19 VAL HG23 H 1 0.904 0.003 . 2 . . 301 . . 19 VAL HG23 . 26003 2
154 . 1 1 19 19 VAL N N 15 109.732 . . 1 . . 40 . . 19 VAL N . 26003 2
155 . 1 1 20 20 ASP H H 1 7.707 0.001 . 1 . . 41 . . 20 ASP H . 26003 2
156 . 1 1 20 20 ASP HA H 1 4.345 0.003 . 1 . . 197 . . 20 ASP HA . 26003 2
157 . 1 1 20 20 ASP HB2 H 1 2.718 0.002 . 2 . . 198 . . 20 ASP HB2 . 26003 2
158 . 1 1 20 20 ASP HB3 H 1 2.990 0.004 . 2 . . 199 . . 20 ASP HB3 . 26003 2
159 . 1 1 20 20 ASP N N 15 120.414 . . 1 . . 42 . . 20 ASP N . 26003 2
160 . 1 1 21 21 CYS H H 1 7.891 0.001 . 1 . . 53 . . 21 CYS H . 26003 2
161 . 1 1 21 21 CYS HA H 1 5.083 0.002 . 1 . . 182 . . 21 CYS HA . 26003 2
162 . 1 1 21 21 CYS HB2 H 1 3.600 0.003 . 2 . . 181 . . 21 CYS HB2 . 26003 2
163 . 1 1 21 21 CYS HB3 H 1 2.734 0.002 . 2 . . 312 . . 21 CYS HB3 . 26003 2
164 . 1 1 21 21 CYS N N 15 116.897 . . 1 . . 54 . . 21 CYS N . 26003 2
165 . 1 1 22 22 CYS H H 1 9.753 0.001 . 1 . . 51 . . 22 CYS H . 26003 2
166 . 1 1 22 22 CYS HA H 1 4.342 0.001 . 1 . . 65 . . 22 CYS HA . 26003 2
167 . 1 1 22 22 CYS HB2 H 1 2.364 0.005 . 2 . . 187 . . 22 CYS HB2 . 26003 2
168 . 1 1 22 22 CYS HB3 H 1 2.907 0.001 . 2 . . 188 . . 22 CYS HB3 . 26003 2
169 . 1 1 22 22 CYS N N 15 127.540 . . 1 . . 52 . . 22 CYS N . 26003 2
170 . 1 1 23 23 HIS H H 1 9.167 0.002 . 1 . . 11 . . 23 HIS H . 26003 2
171 . 1 1 23 23 HIS HA H 1 4.814 0.001 . 1 . . 274 . . 23 HIS HA . 26003 2
172 . 1 1 23 23 HIS HB2 H 1 2.764 0.002 . 2 . . 272 . . 23 HIS HB2 . 26003 2
173 . 1 1 23 23 HIS HB3 H 1 3.451 0.004 . 2 . . 273 . . 23 HIS HB3 . 26003 2
174 . 1 1 23 23 HIS HD2 H 1 7.209 0.0 . 1 . . 276 . . 23 HIS HD2 . 26003 2
175 . 1 1 23 23 HIS HE1 H 1 8.248 0.003 . 1 . . 275 . . 23 HIS HE1 . 26003 2
176 . 1 1 23 23 HIS N N 15 114.237 . . 1 . . 12 . . 23 HIS N . 26003 2
177 . 1 1 24 24 GLY H H 1 7.405 0.001 . 1 . . 18 . . 24 GLY H . 26003 2
178 . 1 1 24 24 GLY HA2 H 1 3.834 0.0 . 1 . . 264 . . 24 GLY HA2 . 26003 2
179 . 1 1 24 24 GLY HA3 H 1 3.834 0.0 . 1 . . 263 . . 24 GLY HA3 . 26003 2
180 . 1 1 24 24 GLY N N 15 103.835 . . 1 . . 19 . . 24 GLY N . 26003 2
181 . 1 1 25 25 VAL H H 1 7.755 0.002 . 1 . . 43 . . 25 VAL H . 26003 2
182 . 1 1 25 25 VAL HA H 1 4.646 0.001 . 1 . . 306 . . 25 VAL HA . 26003 2
183 . 1 1 25 25 VAL HB H 1 2.047 0.003 . 1 . . 305 . . 25 VAL HB . 26003 2
184 . 1 1 25 25 VAL HG11 H 1 0.863 0.001 . 2 . . 303 . . 25 VAL HG11 . 26003 2
185 . 1 1 25 25 VAL HG12 H 1 0.863 0.001 . 2 . . 303 . . 25 VAL HG12 . 26003 2
186 . 1 1 25 25 VAL HG13 H 1 0.863 0.001 . 2 . . 303 . . 25 VAL HG13 . 26003 2
187 . 1 1 25 25 VAL HG21 H 1 0.927 0.002 . 2 . . 304 . . 25 VAL HG21 . 26003 2
188 . 1 1 25 25 VAL HG22 H 1 0.927 0.002 . 2 . . 304 . . 25 VAL HG22 . 26003 2
189 . 1 1 25 25 VAL HG23 H 1 0.927 0.002 . 2 . . 304 . . 25 VAL HG23 . 26003 2
190 . 1 1 25 25 VAL N N 15 116.838 . . 1 . . 44 . . 25 VAL N . 26003 2
191 . 1 1 26 26 CYS H H 1 12.660 0.002 . 1 . . 266 . . 26 CYS H . 26003 2
192 . 1 1 26 26 CYS HA H 1 4.905 0.002 . 1 . . 279 . . 26 CYS HA . 26003 2
193 . 1 1 26 26 CYS HB2 H 1 2.588 0.002 . 2 . . 277 . . 26 CYS HB2 . 26003 2
194 . 1 1 26 26 CYS HB3 H 1 2.661 0.007 . 2 . . 278 . . 26 CYS HB3 . 26003 2
195 . 1 1 26 26 CYS N N 15 138.678 . . 1 . . 267 . . 26 CYS N . 26003 2
196 . 1 1 27 27 ASP H H 1 8.806 0.002 . 1 . . 7 . . 27 ASP H . 26003 2
197 . 1 1 27 27 ASP HA H 1 4.930 0.001 . 1 . . 163 . . 27 ASP HA . 26003 2
198 . 1 1 27 27 ASP HB2 H 1 2.758 0.002 . 2 . . 162 . . 27 ASP HB2 . 26003 2
199 . 1 1 27 27 ASP HB3 H 1 2.293 0.002 . 2 . . 297 . . 27 ASP HB3 . 26003 2
200 . 1 1 27 27 ASP N N 15 129.432 . . 1 . . 8 . . 27 ASP N . 26003 2
201 . 1 1 28 28 SER H H 1 8.975 0.003 . 1 . . 31 . . 28 SER H . 26003 2
202 . 1 1 28 28 SER HA H 1 3.849 0.001 . 1 . . 146 . . 28 SER HA . 26003 2
203 . 1 1 28 28 SER HB2 H 1 3.978 0.003 . 1 . . 148 . . 28 SER HB2 . 26003 2
204 . 1 1 28 28 SER HB3 H 1 3.978 0.003 . 1 . . 147 . . 28 SER HB3 . 26003 2
205 . 1 1 28 28 SER N N 15 121.225 . . 1 . . 32 . . 28 SER N . 26003 2
206 . 1 1 29 29 LEU H H 1 7.924 0.002 . 1 . . 3 . . 29 LEU H . 26003 2
207 . 1 1 29 29 LEU HA H 1 3.715 0.003 . 1 . . 59 . . 29 LEU HA . 26003 2
208 . 1 1 29 29 LEU HB2 H 1 1.444 0.003 . 2 . . 60 . . 29 LEU HB2 . 26003 2
209 . 1 1 29 29 LEU HB3 H 1 1.924 0.004 . 2 . . 61 . . 29 LEU HB3 . 26003 2
210 . 1 1 29 29 LEU HG H 1 1.275 0.003 . 1 . . 256 . . 29 LEU HG . 26003 2
211 . 1 1 29 29 LEU HD11 H 1 0.794 0.001 . 2 . . 351 . . 29 LEU HD11 . 26003 2
212 . 1 1 29 29 LEU HD12 H 1 0.794 0.001 . 2 . . 351 . . 29 LEU HD12 . 26003 2
213 . 1 1 29 29 LEU HD13 H 1 0.794 0.001 . 2 . . 351 . . 29 LEU HD13 . 26003 2
214 . 1 1 29 29 LEU HD21 H 1 0.769 0.002 . 2 . . 352 . . 29 LEU HD21 . 26003 2
215 . 1 1 29 29 LEU HD22 H 1 0.769 0.002 . 2 . . 352 . . 29 LEU HD22 . 26003 2
216 . 1 1 29 29 LEU HD23 H 1 0.769 0.002 . 2 . . 352 . . 29 LEU HD23 . 26003 2
217 . 1 1 29 29 LEU N N 15 107.658 . . 1 . . 4 . . 29 LEU N . 26003 2
218 . 1 1 30 30 PHE H H 1 7.641 0.003 . 1 . . 15 . . 30 PHE H . 26003 2
219 . 1 1 30 30 PHE HA H 1 5.093 0.006 . 1 . . 151 . . 30 PHE HA . 26003 2
220 . 1 1 30 30 PHE HB2 H 1 2.522 0.003 . 2 . . 149 . . 30 PHE HB2 . 26003 2
221 . 1 1 30 30 PHE HB3 H 1 2.622 0.001 . 2 . . 150 . . 30 PHE HB3 . 26003 2
222 . 1 1 30 30 PHE HD1 H 1 7.049 0.002 . 1 . . 308 . . 30 PHE HD1 . 26003 2
223 . 1 1 30 30 PHE HD2 H 1 7.049 0.002 . 1 . . 308 . . 30 PHE HD2 . 26003 2
224 . 1 1 30 30 PHE HE1 H 1 7.217 0.002 . 1 . . 307 . . 30 PHE HE1 . 26003 2
225 . 1 1 30 30 PHE HE2 H 1 7.217 0.002 . 1 . . 307 . . 30 PHE HE2 . 26003 2
226 . 1 1 30 30 PHE HZ H 1 7.178 0.002 . 1 . . 309 . . 30 PHE HZ . 26003 2
227 . 1 1 30 30 PHE N N 15 116.431 . . 1 . . 16 . . 30 PHE N . 26003 2
228 . 1 1 31 31 CYS H H 1 9.104 0.001 . 1 . . 28 . . 31 CYS H . 26003 2
229 . 1 1 31 31 CYS HA H 1 5.102 0.003 . 1 . . 166 . . 31 CYS HA . 26003 2
230 . 1 1 31 31 CYS HB2 H 1 3.058 0.003 . 2 . . 164 . . 31 CYS HB2 . 26003 2
231 . 1 1 31 31 CYS HB3 H 1 2.962 0.004 . 2 . . 165 . . 31 CYS HB3 . 26003 2
232 . 1 1 31 31 CYS N N 15 121.516 . . 1 . . 29 . . 31 CYS N . 26003 2
233 . 1 1 32 32 LEU H H 1 8.254 0.001 . 1 . . 33 . . 32 LEU H . 26003 2
234 . 1 1 32 32 LEU HA H 1 4.022 0.005 . 1 . . 208 . . 32 LEU HA . 26003 2
235 . 1 1 32 32 LEU HB2 H 1 1.169 0.004 . 2 . . 338 . . 32 LEU HB2 . 26003 2
236 . 1 1 32 32 LEU HB3 H 1 1.246 0.002 . 2 . . 339 . . 32 LEU HB3 . 26003 2
237 . 1 1 32 32 LEU HG H 1 0.597 0.004 . 1 . . 341 . . 32 LEU HG . 26003 2
238 . 1 1 32 32 LEU HD11 H 1 0.633 0.002 . 2 . . 140 . . 32 LEU HD11 . 26003 2
239 . 1 1 32 32 LEU HD12 H 1 0.633 0.002 . 2 . . 140 . . 32 LEU HD12 . 26003 2
240 . 1 1 32 32 LEU HD13 H 1 0.633 0.002 . 2 . . 140 . . 32 LEU HD13 . 26003 2
241 . 1 1 32 32 LEU HD21 H 1 0.761 0.002 . 2 . . 340 . . 32 LEU HD21 . 26003 2
242 . 1 1 32 32 LEU HD22 H 1 0.761 0.002 . 2 . . 340 . . 32 LEU HD22 . 26003 2
243 . 1 1 32 32 LEU HD23 H 1 0.761 0.002 . 2 . . 340 . . 32 LEU HD23 . 26003 2
244 . 1 1 32 32 LEU N N 15 131.088 . . 1 . . 34 . . 32 LEU N . 26003 2
245 . 1 1 33 33 TYR H H 1 7.105 0.003 . 1 . . 37 . . 33 TYR H . 26003 2
246 . 1 1 33 33 TYR HA H 1 4.494 0.003 . 1 . . 155 . . 33 TYR HA . 26003 2
247 . 1 1 33 33 TYR HB2 H 1 3.106 0.002 . 2 . . 190 . . 33 TYR HB2 . 26003 2
248 . 1 1 33 33 TYR HB3 H 1 2.531 0.002 . 2 . . 191 . . 33 TYR HB3 . 26003 2
249 . 1 1 33 33 TYR HD1 H 1 6.950 0.001 . 1 . . 298 . . 33 TYR HD1 . 26003 2
250 . 1 1 33 33 TYR HD2 H 1 6.950 0.001 . 1 . . 298 . . 33 TYR HD2 . 26003 2
251 . 1 1 33 33 TYR HE1 H 1 6.738 0.001 . 1 . . 299 . . 33 TYR HE1 . 26003 2
252 . 1 1 33 33 TYR HE2 H 1 6.738 0.001 . 1 . . 299 . . 33 TYR HE2 . 26003 2
253 . 1 1 33 33 TYR N N 15 118.704 . . 1 . . 38 . . 33 TYR N . 26003 2
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