*HEADER TRANSCRIPTION 15-AUG-13 2MC6
*TITLE A BACTERIOPHAGE TRANSCRIPTION REGULATOR INHIBITS BACTERIAL
*TITLE 2 TRANSCRIPTION INITIATION BY SIGMA-FACTOR DISPLACEMENT
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: RNA POLYMERASE INHIBITOR P7;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: 45L;
*COMPND 5 ENGINEERED: YES;
*COMPND 6 MOL_ID: 2;
*COMPND 7 MOLECULE: DNA-DIRECTED RNA POLYMERASE SUBUNIT BETA';
*COMPND 8 CHAIN: B;
*COMPND 9 FRAGMENT: UNP RESIDUES 1-10;
*COMPND 10 SYNONYM: RNAP SUBUNIT BETA', RNA POLYMERASE SUBUNIT BETA',
*COMPND 11 TRANSCRIPTASE SUBUNIT BETA';
*COMPND 12 EC: 2.7.7.6;
*COMPND 13 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS PHAGE XP10;
*SOURCE 3 ORGANISM_TAXID: 232237;
*SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 6 EXPRESSION_SYSTEM_VECTOR: PET46;
*SOURCE 7 MOL_ID: 2;
*SOURCE 8 SYNTHETIC: YES;
*SOURCE 9 ORGANISM_SCIENTIFIC: XANTHOMONAS ORYZAE PV. ORYZAE;
*SOURCE 10 ORGANISM_TAXID: 291331
*KEYWDS P7, RNAP, SIGMA FACTOR, BETA PRIME SUBUNIT, NTD, TRANSFERASE,
*KEYWDS 2 TRANSCRIPTION
*EXPDTA SOLUTION NMR
*NUMMDL 1
*AUTHOR B.LIU, A.SHADRIN, C.SHEPPARD, Y.XU, K.SEVERINOV, S.MATTHEWS,
*AUTHOR 2 S.WIGNESHWERARAJ
*REVDAT 1 02-APR-14 2MC6 0
Entry H atom name Submitted Coord H atom name
1 H1 MET 1 HT1 MET 1 7.801 -13.165 7.694
2 H2 MET 1 HT2 MET 1 7.256 -13.464 6.125
3 H3 MET 1 HT3 MET 1 7.253 -14.706 7.268
4 HA MET 1 HA MET 1 5.034 -13.855 6.909
5 HB2 MET 1 HB2 MET 1 5.591 -14.744 9.113
6 HB3 MET 1 HB1 MET 1 6.228 -13.181 9.605
7 HG2 MET 1 HG2 MET 1 3.993 -12.207 9.391
8 HG3 MET 1 HG1 MET 1 3.360 -13.781 8.912
9 HE1 MET 1 HE1 MET 1 5.164 -11.776 11.740
10 HE2 MET 1 HE2 MET 1 6.151 -13.235 11.664
11 HE3 MET 1 HE3 MET 1 5.149 -12.921 13.079
12 H ASN 2 HN ASN 2 4.339 -12.191 5.744
13 HA ASN 2 HA ASN 2 4.878 -9.465 6.745
14 HB2 ASN 2 HB2 ASN 2 4.451 -10.312 3.871
15 HB3 ASN 2 HB1 ASN 2 4.714 -8.668 4.441
16 HD21 ASN 2 HD21 ASN 2 6.723 -9.483 6.402
17 HD22 ASN 2 HD22 ASN 2 8.151 -9.856 5.503
18 H GLU 3 HN GLU 3 3.133 -8.677 7.612
19 HA GLU 3 HA GLU 3 0.524 -9.769 6.874
20 HB2 GLU 3 HB2 GLU 3 1.379 -8.069 9.222
21 HB3 GLU 3 HB1 GLU 3 -0.251 -8.672 8.961
22 HG2 GLU 3 HG2 GLU 3 0.496 -10.943 9.196
23 HG3 GLU 3 HG1 GLU 3 2.176 -10.418 9.296
24 H PHE 4 HN PHE 4 -1.310 -8.308 6.693
25 HA PHE 4 HA PHE 4 -0.519 -5.774 5.437
26 HB2 PHE 4 HB2 PHE 4 -2.873 -7.591 4.987
27 HB3 PHE 4 HB1 PHE 4 -2.886 -5.914 4.460
28 HD1 PHE 4 HD1 PHE 4 -1.038 -5.142 2.910
29 HD2 PHE 4 HD2 PHE 4 -1.905 -9.239 3.644
30 HE1 PHE 4 HE1 PHE 4 0.129 -5.750 0.838
31 HE2 PHE 4 HE2 PHE 4 -0.732 -9.860 1.575
32 HZ PHE 4 HZ PHE 4 0.282 -8.116 0.171
33 H THR 5 HN THR 5 -1.372 -3.893 6.062
34 HA THR 5 HA THR 5 -3.465 -3.837 8.102
35 HB THR 5 HB THR 5 -0.765 -2.477 8.318
36 HG1 THR 5 HG1 THR 5 -2.021 -4.179 10.213
37 HG21 THR 5 HG21 THR 5 -2.486 -0.917 9.026
38 HG22 THR 5 HG22 THR 5 -1.582 -1.507 10.422
39 HG23 THR 5 HG23 THR 5 -3.191 -2.144 10.081
40 H GLN 6 HN GLN 6 -4.578 -1.762 8.138
41 HA GLN 6 HA GLN 6 -5.078 -0.648 5.652
42 HB2 GLN 6 HB2 GLN 6 -5.490 0.490 8.414
43 HB3 GLN 6 HB1 GLN 6 -6.071 1.281 6.955
44 HG2 GLN 6 HG2 GLN 6 -7.465 -0.625 6.436
45 HG3 GLN 6 HG1 GLN 6 -6.837 -1.491 7.837
46 HE21 GLN 6 HE21 GLN 6 -8.893 -1.704 8.717
47 HE22 GLN 6 HE22 GLN 6 -9.718 -0.372 9.449
48 H ILE 7 HN ILE 7 -4.154 0.839 4.424
49 HA ILE 7 HA ILE 7 -1.541 1.756 5.047
50 HB ILE 7 HB ILE 7 -3.359 2.498 2.759
51 HG12 ILE 7 HG12 ILE 7 -1.070 0.529 2.978
52 HG13 ILE 7 HG11 ILE 7 -2.776 0.116 2.847
53 HG21 ILE 7 HG21 ILE 7 -1.670 4.208 3.139
54 HG22 ILE 7 HG22 ILE 7 -1.349 3.317 1.650
55 HG23 ILE 7 HG23 ILE 7 -0.409 2.977 3.104
56 HD11 ILE 7 HD11 ILE 7 -1.643 -0.178 0.732
57 HD12 ILE 7 HD12 ILE 7 -1.124 1.507 0.755
58 HD13 ILE 7 HD13 ILE 7 -2.838 1.113 0.621
59 H SER 8 HN SER 8 -1.841 2.942 6.931
60 HA SER 8 HA SER 8 -1.927 4.817 8.170
61 HB2 SER 8 HB2 SER 8 -0.350 5.482 6.339
62 HB3 SER 8 HB1 SER 8 -1.699 6.274 5.540
63 HG SER 8 HG SER 8 -0.403 7.671 6.876
64 H GLY 9 HN GLY 9 -3.527 6.431 5.436
65 HA2 GLY 9 HA2 GLY 9 -5.804 6.904 7.234
66 HA3 GLY 9 HA1 GLY 9 -5.322 7.956 5.912
67 H TYR 10 HN TYR 10 -4.913 5.505 4.173
68 HA TYR 10 HA TYR 10 -7.330 5.481 2.803
69 HB2 TYR 10 HB2 TYR 10 -5.228 3.314 2.968
70 HB3 TYR 10 HB1 TYR 10 -6.598 3.250 1.870
71 HD1 TYR 10 HD1 TYR 10 -4.019 5.838 2.742
72 HD2 TYR 10 HD2 TYR 10 -6.059 3.652 -0.274
73 HE1 TYR 10 HE1 TYR 10 -2.727 7.014 1.020
74 HE2 TYR 10 HE2 TYR 10 -4.775 4.816 -2.007
75 HH TYR 10 HH TYR 10 -2.005 6.621 -1.321
76 H VAL 11 HN VAL 11 -9.243 4.875 3.446
77 HA VAL 11 HA VAL 11 -9.791 3.673 5.880
78 HB VAL 11 HB VAL 11 -12.125 3.431 5.077
79 HG11 VAL 11 HG11 VAL 11 -11.373 5.527 6.033
80 HG12 VAL 11 HG12 VAL 11 -12.506 5.836 4.718
81 HG13 VAL 11 HG13 VAL 11 -10.775 6.057 4.461
82 HG21 VAL 11 HG21 VAL 11 -11.024 4.479 2.468
83 HG22 VAL 11 HG22 VAL 11 -12.727 4.230 2.854
84 HG23 VAL 11 HG23 VAL 11 -11.638 2.848 2.743
85 H ASN 12 HN ASN 12 -9.455 2.152 2.723
86 HA ASN 12 HA ASN 12 -9.506 -0.457 4.018
87 HB2 ASN 12 HB2 ASN 12 -11.398 0.379 1.824
88 HB3 ASN 12 HB1 ASN 12 -10.986 -1.309 2.097
89 HD21 ASN 12 HD21 ASN 12 -11.615 -2.297 4.059
90 HD22 ASN 12 HD22 ASN 12 -12.921 -1.650 4.992
91 H ALA 13 HN ALA 13 -7.190 0.202 3.412
92 HA ALA 13 HA ALA 13 -6.598 -1.078 0.846
93 HB1 ALA 13 HB1 ALA 13 -6.523 1.358 0.465
94 HB2 ALA 13 HB2 ALA 13 -4.948 0.590 0.260
95 HB3 ALA 13 HB3 ALA 13 -5.302 1.496 1.730
96 H PHE 14 HN PHE 14 -4.689 -2.232 0.807
97 HA PHE 14 HA PHE 14 -3.123 -2.284 3.293
98 HB2 PHE 14 HB2 PHE 14 -4.093 -4.651 1.698
99 HB3 PHE 14 HB1 PHE 14 -2.948 -4.749 3.018
100 HD1 PHE 14 HD1 PHE 14 -3.807 -3.652 5.263
101 HD2 PHE 14 HD2 PHE 14 -6.297 -5.091 2.137
102 HE1 PHE 14 HE1 PHE 14 -5.654 -3.906 6.861
103 HE2 PHE 14 HE2 PHE 14 -8.148 -5.348 3.734
104 HZ PHE 14 HZ PHE 14 -7.830 -4.753 6.095
105 H GLY 15 HN GLY 15 -0.936 -2.664 3.044
106 HA2 GLY 15 HA2 GLY 15 0.123 -3.379 0.438
107 HA3 GLY 15 HA1 GLY 15 0.490 -1.741 0.965
108 H SER 16 HN SER 16 1.781 -4.697 0.781
109 HA SER 16 HA SER 16 3.624 -4.145 2.947
110 HB2 SER 16 HB2 SER 16 1.730 -5.626 3.827
111 HB3 SER 16 HB1 SER 16 2.346 -6.878 2.751
112 HG SER 16 HG SER 16 3.148 -6.368 5.169
113 H GLN 17 HN GLN 17 5.712 -4.692 2.293
114 HA GLN 17 HA GLN 17 5.931 -5.831 -0.341
115 HB2 GLN 17 HB2 GLN 17 7.373 -3.948 0.156
116 HB3 GLN 17 HB1 GLN 17 8.092 -4.824 1.501
117 HG2 GLN 17 HG2 GLN 17 9.169 -6.347 0.068
118 HG3 GLN 17 HG1 GLN 17 8.214 -5.835 -1.319
119 HE21 GLN 17 HE21 GLN 17 9.529 -3.505 0.904
120 HE22 GLN 17 HE22 GLN 17 10.762 -2.910 -0.161
121 H ARG 18 HN ARG 18 5.444 -7.863 -0.312
122 HA ARG 18 HA ARG 18 6.172 -9.807 1.576
123 HB2 ARG 18 HB2 ARG 18 4.296 -9.925 -0.052
124 HB3 ARG 18 HB1 ARG 18 5.468 -10.123 -1.345
125 HG2 ARG 18 HG2 ARG 18 6.219 -12.220 -0.334
126 HG3 ARG 18 HG1 ARG 18 5.031 -12.018 0.955
127 HD2 ARG 18 HD2 ARG 18 3.222 -12.137 -0.635
128 HD3 ARG 18 HD1 ARG 18 4.361 -12.189 -1.980
129 HE ARG 18 HE ARG 18 4.934 -14.325 -0.276
130 HH11 ARG 18 HH11 ARG 18 2.342 -13.262 -2.371
131 HH12 ARG 18 HH12 ARG 18 1.829 -14.872 -2.765
132 HH21 ARG 18 HH21 ARG 18 4.269 -16.446 -0.795
133 HH22 ARG 18 HH22 ARG 18 2.927 -16.681 -1.869
134 H GLY 19 HN GLY 19 8.435 -9.482 1.909
135 HA2 GLY 19 HA2 GLY 19 10.600 -10.287 1.630
136 HA3 GLY 19 HA1 GLY 19 10.115 -10.979 0.087
137 H SER 20 HN SER 20 11.216 -10.145 -1.538
138 HA SER 20 HA SER 20 12.108 -7.357 -1.409
139 HB2 SER 20 HB2 SER 20 13.764 -9.159 -1.957
140 HB3 SER 20 HB1 SER 20 12.852 -9.494 -3.427
141 HG SER 20 HG SER 20 13.559 -6.844 -3.038
142 H VAL 21 HN VAL 21 9.606 -9.198 -2.625
143 HA VAL 21 HA VAL 21 9.013 -7.164 -4.656
144 HB VAL 21 HB VAL 21 7.147 -8.855 -5.319
145 HG11 VAL 21 HG11 VAL 21 8.700 -9.936 -6.898
146 HG12 VAL 21 HG12 VAL 21 10.057 -9.305 -5.966
147 HG13 VAL 21 HG13 VAL 21 8.953 -8.192 -6.780
148 HG21 VAL 21 HG21 VAL 21 7.786 -11.197 -5.006
149 HG22 VAL 21 HG22 VAL 21 7.473 -10.401 -3.464
150 HG23 VAL 21 HG23 VAL 21 9.133 -10.693 -3.985
151 H LEU 22 HN LEU 22 6.695 -6.618 -4.831
152 HA LEU 22 HA LEU 22 5.871 -5.868 -2.117
153 HB2 LEU 22 HB2 LEU 22 6.704 -4.350 -4.153
154 HB3 LEU 22 HB1 LEU 22 5.003 -4.418 -4.528
155 HG LEU 22 HG LEU 22 6.159 -3.389 -1.951
156 HD11 LEU 22 HD11 LEU 22 5.482 -1.183 -2.836
157 HD12 LEU 22 HD12 LEU 22 5.077 -1.949 -4.371
158 HD13 LEU 22 HD13 LEU 22 6.746 -1.945 -3.801
159 HD21 LEU 22 HD21 LEU 22 3.906 -4.314 -1.701
160 HD22 LEU 22 HD22 LEU 22 3.343 -3.295 -3.025
161 HD23 LEU 22 HD23 LEU 22 3.909 -2.559 -1.526
162 H THR 23 HN THR 23 3.716 -6.205 -1.469
163 HA THR 23 HA THR 23 1.924 -7.174 -3.601
164 HB THR 23 HB THR 23 2.043 -8.279 -0.786
165 HG1 THR 23 HG1 THR 23 2.841 -9.345 -3.319
166 HG21 THR 23 HG21 THR 23 0.396 -9.166 -3.163
167 HG22 THR 23 HG22 THR 23 -0.230 -8.261 -1.786
168 HG23 THR 23 HG23 THR 23 0.396 -9.894 -1.556
169 H VAL 24 HN VAL 24 -0.009 -6.268 -3.694
170 HA VAL 24 HA VAL 24 -0.750 -4.335 -1.587
171 HB VAL 24 HB VAL 24 -1.455 -4.210 -4.522
172 HG11 VAL 24 HG11 VAL 24 -1.737 -2.182 -2.314
173 HG12 VAL 24 HG12 VAL 24 -3.042 -3.044 -3.129
174 HG13 VAL 24 HG13 VAL 24 -2.062 -1.877 -4.021
175 HG21 VAL 24 HG21 VAL 24 0.943 -3.965 -4.288
176 HG22 VAL 24 HG22 VAL 24 0.717 -2.739 -3.040
177 HG23 VAL 24 HG23 VAL 24 0.213 -2.412 -4.698
178 H LYS 25 HN LYS 25 -2.827 -4.403 -0.829
179 HA LYS 25 HA LYS 25 -4.720 -6.188 -2.184
180 HB2 LYS 25 HB2 LYS 25 -3.850 -7.517 -0.363
181 HB3 LYS 25 HB1 LYS 25 -4.067 -6.200 0.770
182 HG2 LYS 25 HG2 LYS 25 -5.804 -7.735 1.182
183 HG3 LYS 25 HG1 LYS 25 -6.539 -6.371 0.341
184 HD2 LYS 25 HD2 LYS 25 -7.443 -8.342 -0.622
185 HD3 LYS 25 HD1 LYS 25 -6.291 -7.691 -1.789
186 HE2 LYS 25 HE2 LYS 25 -6.007 -10.075 -1.652
187 HE3 LYS 25 HE1 LYS 25 -4.599 -9.291 -0.941
188 HZ1 LYS 25 HZ1 LYS 25 -5.599 -9.677 1.260
189 HZ2 LYS 25 HZ2 LYS 25 -5.289 -11.115 0.428
190 HZ3 LYS 25 HZ3 LYS 25 -6.868 -10.523 0.529
191 H VAL 26 HN VAL 26 -6.691 -5.299 -2.390
192 HA VAL 26 HA VAL 26 -7.177 -2.805 -0.892
193 HB VAL 26 HB VAL 26 -8.108 -3.386 -3.706
194 HG11 VAL 26 HG11 VAL 26 -9.549 -1.855 -2.493
195 HG12 VAL 26 HG12 VAL 26 -8.659 -0.998 -3.749
196 HG13 VAL 26 HG13 VAL 26 -8.160 -0.853 -2.063
197 HG21 VAL 26 HG21 VAL 26 -5.720 -3.181 -3.764
198 HG22 VAL 26 HG22 VAL 26 -5.769 -1.749 -2.740
199 HG23 VAL 26 HG23 VAL 26 -6.417 -1.682 -4.379
200 H GLU 27 HN GLU 27 -9.053 -2.651 0.153
201 HA GLU 27 HA GLU 27 -10.996 -4.819 -0.218
202 HB2 GLU 27 HB2 GLU 27 -10.362 -3.043 2.120
203 HB3 GLU 27 HB1 GLU 27 -11.874 -3.930 2.029
204 HG2 GLU 27 HG2 GLU 27 -10.550 -6.019 1.826
205 HG3 GLU 27 HG1 GLU 27 -9.091 -5.065 2.112
206 H ASN 28 HN ASN 28 -13.253 -4.065 0.466
207 HA ASN 28 HA ASN 28 -13.900 -1.626 -1.035
208 HB2 ASN 28 HB2 ASN 28 -14.941 -3.711 -1.864
209 HB3 ASN 28 HB1 ASN 28 -15.648 -3.988 -0.278
210 HD21 ASN 28 HD21 ASN 28 -15.701 -1.941 -3.117
211 HD22 ASN 28 HD22 ASN 28 -17.294 -1.313 -2.862
212 H ASP 29 HN ASP 29 -16.000 -0.541 -0.064
213 HA ASP 29 HA ASP 29 -15.417 0.470 2.452
214 HB2 ASP 29 HB2 ASP 29 -17.010 1.456 0.776
215 HB3 ASP 29 HB1 ASP 29 -18.189 0.244 1.273
216 H GLU 30 HN GLU 30 -17.297 -2.341 1.542
217 HA GLU 30 HA GLU 30 -18.250 -2.840 4.222
218 HB2 GLU 30 HB2 GLU 30 -18.378 -4.468 1.686
219 HB3 GLU 30 HB1 GLU 30 -19.127 -4.954 3.197
220 HG2 GLU 30 HG2 GLU 30 -20.437 -2.825 3.125
221 HG3 GLU 30 HG1 GLU 30 -19.793 -2.561 1.506
222 H GLY 31 HN GLY 31 -15.311 -3.104 2.877
223 HA2 GLY 31 HA2 GLY 31 -13.398 -4.007 3.784
224 HA3 GLY 31 HA1 GLY 31 -14.388 -4.897 4.932
225 H TRP 32 HN TRP 32 -15.292 -5.254 1.672
226 HA TRP 32 HA TRP 32 -14.412 -7.988 1.680
227 HB2 TRP 32 HB2 TRP 32 -15.954 -6.339 -0.316
228 HB3 TRP 32 HB1 TRP 32 -15.495 -8.013 -0.612
229 HD1 TRP 32 HD1 TRP 32 -18.292 -6.063 0.709
230 HE1 TRP 32 HE1 TRP 32 -19.886 -7.546 2.085
231 HE3 TRP 32 HE3 TRP 32 -15.293 -10.164 1.291
232 HZ2 TRP 32 HZ2 TRP 32 -19.870 -10.111 3.260
233 HZ3 TRP 32 HZ3 TRP 32 -16.156 -12.084 2.556
234 HH2 TRP 32 HH2 TRP 32 -18.399 -12.059 3.521
235 H THR 33 HN THR 33 -12.544 -8.697 0.928
236 HA THR 33 HA THR 33 -10.590 -7.004 -0.205
237 HB THR 33 HB THR 33 -9.379 -9.169 -0.677
238 HG1 THR 33 HG1 THR 33 -11.473 -10.351 -0.844
239 HG21 THR 33 HG21 THR 33 -10.484 -8.792 2.107
240 HG22 THR 33 HG22 THR 33 -9.069 -7.984 1.434
241 HG23 THR 33 HG23 THR 33 -9.050 -9.728 1.694
242 H LEU 34 HN LEU 34 -10.597 -6.194 -2.178
243 HA LEU 34 HA LEU 34 -12.156 -7.524 -4.260
244 HB2 LEU 34 HB2 LEU 34 -10.948 -4.759 -4.140
245 HB3 LEU 34 HB1 LEU 34 -11.897 -5.378 -5.477
246 HG LEU 34 HG LEU 34 -12.887 -4.898 -2.665
247 HD11 LEU 34 HD11 LEU 34 -13.467 -3.496 -5.270
248 HD12 LEU 34 HD12 LEU 34 -12.531 -2.852 -3.922
249 HD13 LEU 34 HD13 LEU 34 -14.255 -3.166 -3.728
250 HD21 LEU 34 HD21 LEU 34 -14.342 -5.921 -5.102
251 HD22 LEU 34 HD22 LEU 34 -15.103 -5.447 -3.584
252 HD23 LEU 34 HD23 LEU 34 -14.004 -6.825 -3.627
253 H VAL 35 HN VAL 35 -8.959 -5.944 -3.943
254 HA VAL 35 HA VAL 35 -8.079 -7.575 -6.236
255 HB VAL 35 HB VAL 35 -7.308 -4.685 -5.803
256 HG11 VAL 35 HG11 VAL 35 -5.625 -5.983 -6.982
257 HG12 VAL 35 HG12 VAL 35 -6.401 -4.832 -8.070
258 HG13 VAL 35 HG13 VAL 35 -6.840 -6.539 -8.134
259 HG21 VAL 35 HG21 VAL 35 -8.742 -4.154 -7.710
260 HG22 VAL 35 HG22 VAL 35 -9.675 -4.836 -6.379
261 HG23 VAL 35 HG23 VAL 35 -9.279 -5.832 -7.779
262 H GLU 36 HN GLU 36 -6.114 -8.480 -6.097
263 HA GLU 36 HA GLU 36 -4.223 -7.433 -4.104
264 HB2 GLU 36 HB2 GLU 36 -4.959 -9.571 -3.268
265 HB3 GLU 36 HB1 GLU 36 -4.714 -10.328 -4.839
266 HG2 GLU 36 HG2 GLU 36 -2.281 -9.843 -4.608
267 HG3 GLU 36 HG1 GLU 36 -2.603 -9.276 -2.970
268 H GLU 37 HN GLU 37 -2.807 -6.347 -5.282
269 HA GLU 37 HA GLU 37 -1.921 -7.485 -7.849
270 HB2 GLU 37 HB2 GLU 37 -3.098 -5.325 -8.038
271 HB3 GLU 37 HB1 GLU 37 -1.942 -4.597 -6.935
272 HG2 GLU 37 HG2 GLU 37 -1.480 -4.025 -9.259
273 HG3 GLU 37 HG1 GLU 37 -0.157 -4.936 -8.532
274 H ASP 38 HN ASP 38 0.350 -7.255 -8.367
275 HA ASP 38 HA ASP 38 2.001 -7.008 -5.946
276 HB2 ASP 38 HB2 ASP 38 2.237 -9.034 -8.169
277 HB3 ASP 38 HB1 ASP 38 3.530 -8.722 -7.015
278 H PHE 39 HN PHE 39 3.858 -5.994 -6.064
279 HA PHE 39 HA PHE 39 4.681 -4.744 -8.602
280 HB2 PHE 39 HB2 PHE 39 4.350 -3.476 -5.869
281 HB3 PHE 39 HB1 PHE 39 5.299 -2.722 -7.136
282 HD1 PHE 39 HD1 PHE 39 1.904 -3.831 -6.190
283 HD2 PHE 39 HD2 PHE 39 4.250 -1.452 -8.817
284 HE1 PHE 39 HE1 PHE 39 -0.134 -2.729 -7.008
285 HE2 PHE 39 HE2 PHE 39 2.220 -0.348 -9.638
286 HZ PHE 39 HZ PHE 39 0.022 -0.987 -8.737
287 H ASP 40 HN ASP 40 7.092 -4.038 -8.403
288 HA ASP 40 HA ASP 40 8.447 -5.509 -6.253
289 HB2 ASP 40 HB2 ASP 40 10.219 -6.244 -7.683
290 HB3 ASP 40 HB1 ASP 40 8.705 -6.727 -8.434
291 H ARG 41 HN ARG 41 9.840 -4.344 -5.100
292 HA ARG 41 HA ARG 41 10.018 -1.540 -5.689
293 HB2 ARG 41 HB2 ARG 41 9.760 -2.536 -3.373
294 HB3 ARG 41 HB1 ARG 41 11.454 -3.001 -3.478
295 HG2 ARG 41 HG2 ARG 41 12.074 -0.650 -3.771
296 HG3 ARG 41 HG1 ARG 41 10.376 -0.194 -3.636
297 HD2 ARG 41 HD2 ARG 41 11.235 0.171 -1.502
298 HD3 ARG 41 HD1 ARG 41 10.426 -1.390 -1.381
299 HE ARG 41 HE ARG 41 12.991 -2.050 -1.972
300 HH11 ARG 41 HH11 ARG 41 11.467 -0.075 0.464
301 HH12 ARG 41 HH12 ARG 41 12.719 -0.296 1.640
302 HH21 ARG 41 HH21 ARG 41 14.659 -2.379 -0.426
303 HH22 ARG 41 HH22 ARG 41 14.547 -1.615 1.128
304 H ALA 42 HN ALA 42 11.880 -4.258 -6.418
305 HA ALA 42 HA ALA 42 14.491 -3.247 -6.397
306 HB1 ALA 42 HB1 ALA 42 13.996 -5.618 -6.658
307 HB2 ALA 42 HB2 ALA 42 14.999 -5.040 -7.989
308 HB3 ALA 42 HB3 ALA 42 13.272 -5.305 -8.235
309 H ASP 43 HN ASP 43 11.899 -2.996 -8.757
310 HA ASP 43 HA ASP 43 13.442 -1.794 -10.817
311 HB2 ASP 43 HB2 ASP 43 11.247 -2.870 -11.197
312 HB3 ASP 43 HB1 ASP 43 10.471 -1.584 -10.279
313 H TYR 44 HN TYR 44 11.737 -0.557 -8.024
314 HA TYR 44 HA TYR 44 11.825 2.187 -8.914
315 HB2 TYR 44 HB2 TYR 44 11.251 1.279 -6.102
316 HB3 TYR 44 HB1 TYR 44 10.704 2.742 -6.906
317 HD1 TYR 44 HD1 TYR 44 9.702 1.563 -9.469
318 HD2 TYR 44 HD2 TYR 44 9.275 0.283 -5.441
319 HE1 TYR 44 HE1 TYR 44 7.633 0.384 -10.068
320 HE2 TYR 44 HE2 TYR 44 7.214 -0.905 -6.027
321 HH TYR 44 HH TYR 44 6.234 -1.363 -9.309
322 H GLY 45 HN GLY 45 12.936 0.820 -5.836
323 HA2 GLY 45 HA2 GLY 45 15.541 0.968 -5.797
324 HA3 GLY 45 HA1 GLY 45 15.196 2.680 -5.952
325 H SER 46 HN SER 46 13.083 3.070 -4.178
326 HA SER 46 HA SER 46 14.487 2.378 -1.685
327 HB2 SER 46 HB2 SER 46 15.184 4.619 -2.550
328 HB3 SER 46 HB1 SER 46 13.519 5.158 -2.352
329 HG SER 46 HG SER 46 14.809 5.702 -0.548
330 H ASP 47 HN ASP 47 13.144 3.594 0.195
331 HA ASP 47 HA ASP 47 10.897 1.907 0.478
332 HB2 ASP 47 HB2 ASP 47 11.765 4.227 2.209
333 HB3 ASP 47 HB1 ASP 47 10.574 3.013 2.652
334 HA PRO 48 HA PRO 48 8.313 6.097 0.224
335 HB2 PRO 48 HB2 PRO 48 9.413 7.726 -1.708
336 HB3 PRO 48 HB1 PRO 48 9.406 8.031 0.035
337 HG2 PRO 48 HG2 PRO 48 11.483 6.784 -1.667
338 HG3 PRO 48 HG1 PRO 48 11.702 7.940 -0.347
339 HD2 PRO 48 HD2 PRO 48 12.242 5.377 0.023
340 HD3 PRO 48 HD1 PRO 48 11.344 6.270 1.274
341 H GLU 49 HN GLU 49 10.191 5.250 -2.714
342 HA GLU 49 HA GLU 49 8.065 5.265 -4.498
343 HB2 GLU 49 HB2 GLU 49 10.481 3.456 -4.492
344 HB3 GLU 49 HB1 GLU 49 9.381 3.653 -5.847
345 HG2 GLU 49 HG2 GLU 49 11.147 5.036 -6.384
346 HG3 GLU 49 HG1 GLU 49 9.964 6.139 -5.684
347 H PHE 50 HN PHE 50 9.006 2.859 -2.164
348 HA PHE 50 HA PHE 50 7.535 0.685 -3.173
349 HB2 PHE 50 HB2 PHE 50 9.012 -0.009 -1.569
350 HB3 PHE 50 HB1 PHE 50 8.798 1.432 -0.591
351 HD1 PHE 50 HD1 PHE 50 7.031 -1.690 -1.571
352 HD2 PHE 50 HD2 PHE 50 7.640 1.290 1.388
353 HE1 PHE 50 HE1 PHE 50 5.632 -2.968 -0.002
354 HE2 PHE 50 HE2 PHE 50 6.243 0.017 2.960
355 HZ PHE 50 HZ PHE 50 5.237 -2.113 2.266
356 H VAL 51 HN VAL 51 6.688 3.135 -0.727
357 HA VAL 51 HA VAL 51 4.003 2.183 -0.523
358 HB VAL 51 HB VAL 51 3.562 4.073 0.907
359 HG11 VAL 51 HG11 VAL 51 4.693 2.194 1.913
360 HG12 VAL 51 HG12 VAL 51 5.293 3.689 2.629
361 HG13 VAL 51 HG13 VAL 51 6.260 2.839 1.428
362 HG21 VAL 51 HG21 VAL 51 6.293 5.100 0.166
363 HG22 VAL 51 HG22 VAL 51 5.233 5.776 1.404
364 HG23 VAL 51 HG23 VAL 51 4.751 5.822 -0.292
365 H ALA 52 HN ALA 52 5.549 4.859 -2.189
366 HA ALA 52 HA ALA 52 3.202 6.214 -2.955
367 HB1 ALA 52 HB1 ALA 52 5.898 6.339 -4.290
368 HB2 ALA 52 HB2 ALA 52 5.456 7.225 -2.832
369 HB3 ALA 52 HB3 ALA 52 4.622 7.554 -4.351
370 H GLU 53 HN GLU 53 4.960 3.589 -4.511
371 HA GLU 53 HA GLU 53 3.620 3.930 -7.026
372 HB2 GLU 53 HB2 GLU 53 5.878 2.724 -6.507
373 HB3 GLU 53 HB1 GLU 53 4.843 1.344 -6.173
374 HG2 GLU 53 HG2 GLU 53 5.654 1.269 -8.449
375 HG3 GLU 53 HG1 GLU 53 3.904 1.476 -8.411
376 H VAL 54 HN VAL 54 3.118 2.092 -4.113
377 HA VAL 54 HA VAL 54 1.140 0.327 -5.056
378 HB VAL 54 HB VAL 54 1.764 1.365 -2.287
379 HG11 VAL 54 HG11 VAL 54 0.304 -0.409 -1.416
380 HG12 VAL 54 HG12 VAL 54 -0.236 -0.758 -3.059
381 HG13 VAL 54 HG13 VAL 54 -0.600 0.803 -2.324
382 HG21 VAL 54 HG21 VAL 54 2.590 -0.941 -1.988
383 HG22 VAL 54 HG22 VAL 54 3.446 -0.055 -3.248
384 HG23 VAL 54 HG23 VAL 54 2.234 -1.258 -3.685
385 H SER 55 HN SER 55 0.917 3.472 -3.442
386 HA SER 55 HA SER 55 -1.851 3.617 -3.241
387 HB2 SER 55 HB2 SER 55 -1.399 6.152 -3.306
388 HB3 SER 55 HB1 SER 55 -0.647 5.206 -2.023
389 HG SER 55 HG SER 55 0.502 6.619 -4.055
390 H SER 56 HN SER 56 0.248 4.246 -5.955
391 HA SER 56 HA SER 56 -1.454 5.900 -7.427
392 HB2 SER 56 HB2 SER 56 0.648 3.974 -8.440
393 HB3 SER 56 HB1 SER 56 -0.044 5.310 -9.360
394 HG SER 56 HG SER 56 1.708 5.374 -7.155
395 H TYR 57 HN TYR 57 -1.017 2.369 -7.626
396 HA TYR 57 HA TYR 57 -3.100 2.104 -9.591
397 HB2 TYR 57 HB2 TYR 57 -1.284 0.530 -9.662
398 HB3 TYR 57 HB1 TYR 57 -1.540 0.079 -7.980
399 HD1 TYR 57 HD2 TYR 57 -3.013 -0.118 -11.376
400 HD2 TYR 57 HD1 TYR 57 -3.080 -1.623 -7.395
401 HE1 TYR 57 HE2 TYR 57 -4.499 -1.941 -12.094
402 HE2 TYR 57 HE1 TYR 57 -4.564 -3.449 -8.105
403 HH TYR 57 HH TYR 57 -5.114 -4.213 -11.354
404 H LEU 58 HN LEU 58 -2.754 1.518 -6.140
405 HA LEU 58 HA LEU 58 -5.067 -0.045 -5.837
406 HB2 LEU 58 HB2 LEU 58 -4.181 -0.379 -3.832
407 HB3 LEU 58 HB1 LEU 58 -2.900 0.727 -4.281
408 HG LEU 58 HG LEU 58 -4.567 2.552 -3.393
409 HD11 LEU 58 HD11 LEU 58 -5.476 0.053 -1.968
410 HD12 LEU 58 HD12 LEU 58 -6.449 1.083 -3.016
411 HD13 LEU 58 HD13 LEU 58 -5.863 1.697 -1.470
412 HD21 LEU 58 HD21 LEU 58 -3.521 2.417 -1.229
413 HD22 LEU 58 HD22 LEU 58 -2.344 1.998 -2.475
414 HD23 LEU 58 HD23 LEU 58 -3.088 0.731 -1.504
415 H LYS 59 HN LYS 59 -4.594 3.449 -5.685
416 HA LYS 59 HA LYS 59 -6.799 4.140 -4.155
417 HB2 LYS 59 HB2 LYS 59 -5.386 5.609 -6.359
418 HB3 LYS 59 HB1 LYS 59 -6.771 6.303 -5.527
419 HG2 LYS 59 HG2 LYS 59 -5.614 6.112 -3.399
420 HG3 LYS 59 HG1 LYS 59 -4.231 5.388 -4.217
421 HD2 LYS 59 HD2 LYS 59 -3.709 7.682 -3.860
422 HD3 LYS 59 HD1 LYS 59 -4.053 7.491 -5.578
423 HE2 LYS 59 HE2 LYS 59 -6.210 8.330 -3.677
424 HE3 LYS 59 HE1 LYS 59 -5.053 9.510 -4.283
425 HZ1 LYS 59 HZ1 LYS 59 -5.725 8.851 -6.552
426 HZ2 LYS 59 HZ2 LYS 59 -6.982 9.534 -5.655
427 HZ3 LYS 59 HZ3 LYS 59 -6.929 7.864 -5.893
428 H ARG 60 HN ARG 60 -6.658 3.393 -7.599
429 HA ARG 60 HA ARG 60 -9.328 4.311 -8.114
430 HB2 ARG 60 HB2 ARG 60 -7.530 2.552 -9.788
431 HB3 ARG 60 HB1 ARG 60 -9.069 3.210 -10.321
432 HG2 ARG 60 HG2 ARG 60 -7.730 4.784 -11.219
433 HG3 ARG 60 HG1 ARG 60 -7.862 5.484 -9.605
434 HD2 ARG 60 HD2 ARG 60 -5.543 5.441 -10.377
435 HD3 ARG 60 HD1 ARG 60 -5.768 4.419 -8.958
436 HE ARG 60 HE ARG 60 -5.955 2.546 -10.697
437 HH11 ARG 60 HH11 ARG 60 -3.913 5.370 -11.071
438 HH12 ARG 60 HH12 ARG 60 -2.773 4.559 -12.094
439 HH21 ARG 60 HH21 ARG 60 -4.457 1.481 -12.029
440 HH22 ARG 60 HH22 ARG 60 -3.071 2.343 -12.628
441 H ASN 61 HN ASN 61 -8.165 1.631 -6.534
442 HA ASN 61 HA ASN 61 -10.317 -0.141 -7.444
443 HB2 ASN 61 HB2 ASN 61 -8.028 -0.679 -5.540
444 HB3 ASN 61 HB1 ASN 61 -9.184 -1.874 -6.112
445 HD21 ASN 61 HD21 ASN 61 -9.182 -0.723 -8.835
446 HD22 ASN 61 HD22 ASN 61 -7.691 -1.238 -9.538
447 H GLY 62 HN GLY 62 -9.762 2.193 -5.155
448 HA2 GLY 62 HA2 GLY 62 -11.862 2.551 -3.780
449 HA3 GLY 62 HA1 GLY 62 -11.574 0.915 -3.212
450 H GLY 63 HN GLY 63 -8.768 2.766 -3.782
451 HA2 GLY 63 HA2 GLY 63 -8.391 3.048 -0.891
452 HA3 GLY 63 HA1 GLY 63 -7.126 3.088 -2.104
453 H ILE 64 HN ILE 64 -9.195 5.022 -0.188
454 HA ILE 64 HA ILE 64 -8.155 7.357 -1.596
455 HB ILE 64 HB ILE 64 -10.331 8.548 -1.377
456 HG12 ILE 64 HG12 ILE 64 -11.307 6.860 0.280
457 HG13 ILE 64 HG11 ILE 64 -12.378 7.445 -0.984
458 HG21 ILE 64 HG21 ILE 64 -11.318 7.552 -3.389
459 HG22 ILE 64 HG22 ILE 64 -10.277 6.144 -3.188
460 HG23 ILE 64 HG23 ILE 64 -9.567 7.725 -3.512
461 HD11 ILE 64 HD11 ILE 64 -12.035 5.374 -2.228
462 HD12 ILE 64 HD12 ILE 64 -12.663 5.067 -0.608
463 HD13 ILE 64 HD13 ILE 64 -10.956 4.792 -0.960
464 H LYS 65 HN LYS 65 -6.875 8.196 -0.125
465 HA LYS 65 HA LYS 65 -7.951 9.970 1.673
466 HB2 LYS 65 HB2 LYS 65 -8.442 7.941 3.057
467 HB3 LYS 65 HB1 LYS 65 -6.711 7.667 3.183
468 HG2 LYS 65 HG2 LYS 65 -7.539 8.764 5.170
469 HG3 LYS 65 HG1 LYS 65 -6.455 9.842 4.288
470 HD2 LYS 65 HD2 LYS 65 -8.354 11.031 3.351
471 HD3 LYS 65 HD1 LYS 65 -9.469 9.911 4.133
472 HE2 LYS 65 HE2 LYS 65 -7.543 11.740 5.559
473 HE3 LYS 65 HE1 LYS 65 -9.265 12.047 5.341
474 HZ1 LYS 65 HZ1 LYS 65 -8.817 11.130 7.516
475 HZ2 LYS 65 HZ2 LYS 65 -8.084 9.771 6.833
476 HZ3 LYS 65 HZ3 LYS 65 -9.735 10.037 6.609
477 H ASP 66 HN ASP 66 -5.098 8.150 2.664
478 HA ASP 66 HA ASP 66 -3.132 9.456 1.165
479 HB2 ASP 66 HB2 ASP 66 -4.194 11.354 2.678
480 HB3 ASP 66 HB1 ASP 66 -3.155 10.643 3.902
481 H LEU 67 HN LEU 67 -1.111 8.554 1.628
482 HA LEU 67 HA LEU 67 -1.112 6.655 3.847
483 HB2 LEU 67 HB2 LEU 67 1.097 5.886 2.723
484 HB3 LEU 67 HB1 LEU 67 -0.451 5.395 2.079
485 HG LEU 67 HG LEU 67 -0.198 7.310 0.415
486 HD11 LEU 67 HD11 LEU 67 1.625 8.493 1.584
487 HD12 LEU 67 HD12 LEU 67 2.060 8.053 -0.067
488 HD13 LEU 67 HD13 LEU 67 2.685 7.114 1.288
489 HD21 LEU 67 HD21 LEU 67 1.178 5.944 -1.053
490 HD22 LEU 67 HD22 LEU 67 0.039 4.952 -0.141
491 HD23 LEU 67 HD23 LEU 67 1.736 5.007 0.333
492 H THR 68 HN THR 68 0.498 9.507 2.702
493 HA THR 68 HA THR 68 1.914 9.622 5.260
494 HB THR 68 HB THR 68 3.853 10.712 4.098
495 HG1 THR 68 HG1 THR 68 2.477 11.059 2.114
496 HG21 THR 68 HG21 THR 68 3.254 7.879 3.223
497 HG22 THR 68 HG22 THR 68 3.963 8.356 4.766
498 HG23 THR 68 HG23 THR 68 4.847 8.635 3.268
499 H LYS 69 HN LYS 69 0.508 11.079 6.121
500 HA LYS 69 HA LYS 69 -0.555 13.250 4.620
501 HB2 LYS 69 HB2 LYS 69 -1.707 12.128 6.543
502 HB3 LYS 69 HB1 LYS 69 -0.566 12.924 7.619
503 HG2 LYS 69 HG2 LYS 69 -1.351 15.105 6.789
504 HG3 LYS 69 HG1 LYS 69 -2.543 14.272 5.793
505 HD2 LYS 69 HD2 LYS 69 -3.526 13.299 7.830
506 HD3 LYS 69 HD1 LYS 69 -2.359 14.200 8.803
507 HE2 LYS 69 HE2 LYS 69 -4.446 15.376 6.972
508 HE3 LYS 69 HE1 LYS 69 -4.499 15.357 8.733
509 HZ1 LYS 69 HZ1 LYS 69 -3.756 17.488 7.885
510 HZ2 LYS 69 HZ2 LYS 69 -2.461 16.750 7.087
511 HZ3 LYS 69 HZ3 LYS 69 -2.527 16.743 8.775
512 H VAL 70 HN VAL 70 1.567 14.027 3.904
513 HA VAL 70 HA VAL 70 2.478 16.165 5.691
514 HB VAL 70 HB VAL 70 4.093 14.268 5.803
515 HG11 VAL 70 HG11 VAL 70 3.850 13.357 3.593
516 HG12 VAL 70 HG12 VAL 70 5.532 13.821 3.853
517 HG13 VAL 70 HG13 VAL 70 4.477 14.839 2.874
518 HG21 VAL 70 HG21 VAL 70 6.120 15.595 5.400
519 HG22 VAL 70 HG22 VAL 70 4.876 16.517 6.243
520 HG23 VAL 70 HG23 VAL 70 5.155 16.782 4.523
521 H LEU 71 HN LEU 71 0.906 15.493 3.080
522 HA LEU 71 HA LEU 71 0.386 16.464 1.115
523 HB2 LEU 71 HB2 LEU 71 1.808 18.804 2.375
524 HB3 LEU 71 HB1 LEU 71 0.875 18.901 0.893
525 HG LEU 71 HG LEU 71 -0.226 18.141 3.602
526 HD11 LEU 71 HD11 LEU 71 -0.475 20.675 1.991
527 HD12 LEU 71 HD12 LEU 71 0.384 20.478 3.518
528 HD13 LEU 71 HD13 LEU 71 -1.369 20.311 3.466
529 HD21 LEU 71 HD21 LEU 71 -2.413 18.353 2.492
530 HD22 LEU 71 HD22 LEU 71 -1.443 17.051 1.810
531 HD23 LEU 71 HD23 LEU 71 -1.591 18.581 0.950
532 H THR 72 HN THR 72 1.976 14.854 0.266
533 HA THR 72 HA THR 72 4.514 15.801 -0.649
534 HB THR 72 HB THR 72 2.950 13.412 -1.652
535 HG1 THR 72 HG1 THR 72 3.623 12.359 0.086
536 HG21 THR 72 HG21 THR 72 4.823 14.042 -3.090
537 HG22 THR 72 HG22 THR 72 5.173 12.538 -2.240
538 HG23 THR 72 HG23 THR 72 5.905 14.047 -1.697
539 H ARG 73 HN ARG 73 4.391 17.557 -1.963
540 HA ARG 73 HA ARG 73 2.853 17.238 -4.444
541 HB2 ARG 73 HB2 ARG 73 2.526 19.766 -4.357
542 HB3 ARG 73 HB1 ARG 73 1.566 18.800 -3.246
543 HG2 ARG 73 HG2 ARG 73 3.259 19.304 -1.478
544 HG3 ARG 73 HG1 ARG 73 4.016 20.426 -2.609
545 HD2 ARG 73 HD2 ARG 73 2.501 21.577 -1.067
546 HD3 ARG 73 HD1 ARG 73 1.957 21.712 -2.740
547 HE ARG 73 HE ARG 73 0.595 19.565 -1.867
548 HH11 ARG 73 HH11 ARG 73 1.027 22.750 -0.480
549 HH12 ARG 73 HH12 ARG 73 -0.533 22.765 0.274
550 HH21 ARG 73 HH21 ARG 73 -1.457 19.591 -0.889
551 HH22 ARG 73 HH22 ARG 73 -1.957 20.975 0.031
552 H1 MET 1 HT1 MET 1 10.454 -6.507 1.811
553 H2 MET 1 HT2 MET 1 10.685 -5.140 2.795
554 H3 MET 1 HT3 MET 1 9.233 -6.010 2.870
555 HA MET 1 HA MET 1 10.253 -7.886 3.801
556 HB2 MET 1 HB2 MET 1 12.771 -7.595 4.445
557 HB3 MET 1 HB1 MET 1 12.320 -8.156 2.845
558 HG2 MET 1 HG2 MET 1 12.655 -5.919 1.951
559 HG3 MET 1 HG1 MET 1 13.070 -5.330 3.559
560 HE1 MET 1 HE1 MET 1 14.872 -4.990 0.910
561 HE2 MET 1 HE2 MET 1 16.479 -5.303 1.564
562 HE3 MET 1 HE3 MET 1 15.332 -4.322 2.475
563 H LYS 2 HN LYS 2 12.311 -5.222 5.000
564 HA LYS 2 HA LYS 2 11.101 -5.570 7.612
565 HB2 LYS 2 HB2 LYS 2 12.842 -4.032 8.397
566 HB3 LYS 2 HB1 LYS 2 13.532 -5.336 7.442
567 HG2 LYS 2 HG2 LYS 2 13.743 -3.864 5.531
568 HG3 LYS 2 HG1 LYS 2 12.976 -2.555 6.432
569 HD2 LYS 2 HD2 LYS 2 14.819 -2.628 8.058
570 HD3 LYS 2 HD1 LYS 2 15.591 -3.896 7.108
571 HE2 LYS 2 HE2 LYS 2 14.983 -1.101 6.151
572 HE3 LYS 2 HE1 LYS 2 16.563 -1.690 6.660
573 HZ1 LYS 2 HZ1 LYS 2 16.322 -1.699 4.251
574 HZ2 LYS 2 HZ2 LYS 2 15.001 -2.743 4.369
575 HZ3 LYS 2 HZ3 LYS 2 16.533 -3.267 4.845
576 H ASP 3 HN ASP 3 10.732 -3.620 4.922
577 HA ASP 3 HA ASP 3 9.770 -1.229 6.121
578 HB2 ASP 3 HB2 ASP 3 8.885 -0.911 3.708
579 HB3 ASP 3 HB1 ASP 3 10.629 -1.011 3.946
580 H LEU 4 HN LEU 4 7.853 -3.184 3.872
581 HA LEU 4 HA LEU 4 5.722 -3.979 3.905
582 HB2 LEU 4 HB2 LEU 4 6.028 -3.960 6.913
583 HB3 LEU 4 HB1 LEU 4 4.815 -4.828 5.997
584 HG LEU 4 HG LEU 4 7.759 -5.404 6.153
585 HD11 LEU 4 HD11 LEU 4 6.409 -6.274 7.970
586 HD12 LEU 4 HD12 LEU 4 6.957 -7.587 6.927
587 HD13 LEU 4 HD13 LEU 4 5.296 -7.007 6.815
588 HD21 LEU 4 HD21 LEU 4 7.097 -5.626 3.830
589 HD22 LEU 4 HD22 LEU 4 5.714 -6.614 4.299
590 HD23 LEU 4 HD23 LEU 4 7.353 -7.214 4.551
591 H LEU 5 HN LEU 5 3.694 -3.515 5.912
592 HA LEU 5 HA LEU 5 2.609 -1.148 4.886
593 HB2 LEU 5 HB2 LEU 5 1.413 -3.127 5.884
594 HB3 LEU 5 HB1 LEU 5 1.834 -2.494 7.462
595 HG LEU 5 HG LEU 5 -0.517 -2.025 6.592
596 HD11 LEU 5 HD11 LEU 5 1.163 0.334 7.408
597 HD12 LEU 5 HD12 LEU 5 0.440 -0.842 8.506
598 HD13 LEU 5 HD13 LEU 5 -0.592 0.211 7.538
599 HD21 LEU 5 HD21 LEU 5 0.948 0.005 4.927
600 HD22 LEU 5 HD22 LEU 5 -0.799 -0.168 5.091
601 HD23 LEU 5 HD23 LEU 5 0.142 -1.439 4.313
602 H ASN 6 HN ASN 6 4.733 -1.725 7.524
603 HA ASN 6 HA ASN 6 4.239 0.486 9.147
604 HB2 ASN 6 HB2 ASN 6 5.560 -1.346 9.952
605 HB3 ASN 6 HB1 ASN 6 6.753 -1.117 8.680
606 HD21 ASN 6 HD21 ASN 6 8.376 0.304 8.975
607 HD22 ASN 6 HD22 ASN 6 8.592 1.248 10.408
608 H LEU 7 HN LEU 7 5.893 0.292 6.092
609 HA LEU 7 HA LEU 7 7.362 2.746 6.370
610 HB2 LEU 7 HB2 LEU 7 7.476 0.663 4.625
611 HB3 LEU 7 HB1 LEU 7 6.607 1.829 3.668
612 HG LEU 7 HG LEU 7 8.994 1.885 3.189
613 HD11 LEU 7 HD11 LEU 7 7.976 4.329 4.612
614 HD12 LEU 7 HD12 LEU 7 7.751 3.923 2.912
615 HD13 LEU 7 HD13 LEU 7 9.362 4.291 3.525
616 HD21 LEU 7 HD21 LEU 7 9.793 1.157 5.395
617 HD22 LEU 7 HD22 LEU 7 9.338 2.725 6.065
618 HD23 LEU 7 HD23 LEU 7 10.603 2.622 4.840
619 H PHE 8 HN PHE 8 4.219 1.811 5.177
620 HA PHE 8 HA PHE 8 3.579 4.053 3.641
621 HB2 PHE 8 HB2 PHE 8 1.921 2.050 5.134
622 HB3 PHE 8 HB1 PHE 8 1.180 3.374 4.252
623 HD1 PHE 8 HD1 PHE 8 3.113 0.293 3.955
624 HD2 PHE 8 HD2 PHE 8 1.180 3.438 1.877
625 HE1 PHE 8 HE1 PHE 8 3.214 -1.029 1.885
626 HE2 PHE 8 HE2 PHE 8 1.271 2.139 -0.203
627 HZ PHE 8 HZ PHE 8 2.288 -0.114 -0.202
628 H ASN 9 HN ASN 9 2.154 3.367 6.809
629 HA ASN 9 HA ASN 9 1.352 5.999 7.317
630 HB2 ASN 9 HB2 ASN 9 1.025 5.314 9.645
631 HB3 ASN 9 HB1 ASN 9 0.414 4.091 8.539
632 HD21 ASN 9 HD21 ASN 9 1.412 2.098 8.446
633 HD22 ASN 9 HD22 ASN 9 2.569 1.581 9.618
634 H GLN 10 HN GLN 10 4.383 4.385 7.887
635 HA GLN 10 HA GLN 10 6.441 5.119 8.445
636 HB2 GLN 10 HB2 GLN 10 5.985 6.766 6.663
637 HB3 GLN 10 HB1 GLN 10 5.313 7.862 7.862
638 HG2 GLN 10 HG2 GLN 10 7.536 8.561 7.360
639 HG3 GLN 10 HG1 GLN 10 7.526 7.889 8.990
640 HE21 GLN 10 HE21 GLN 10 8.597 5.962 9.391
641 HE22 GLN 10 HE22 GLN 10 9.706 5.265 8.263