Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
623455 | 5lme RC | 34028 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 1H VAL 1 246.771 6.969 16.051
2 H2 VAL 1 2H VAL 1 246.363 5.751 14.956
3 H3 VAL 1 3H VAL 1 246.229 7.375 14.504
4 HA VAL 1 HA VAL 1 248.578 7.679 14.620
5 HB VAL 1 HB VAL 1 250.093 5.799 15.013
6 HG11 VAL 1 1HG1 VAL 1 249.489 7.232 16.896
7 HG12 VAL 1 2HG1 VAL 1 249.779 5.575 17.424
8 HG13 VAL 1 3HG1 VAL 1 248.128 6.176 17.271
9 HG21 VAL 1 1HG2 VAL 1 248.608 3.984 14.293
10 HG22 VAL 1 2HG2 VAL 1 247.624 4.221 15.736
11 HG23 VAL 1 3HG2 VAL 1 249.291 3.671 15.888
12 H MET 2 H MET 2 246.243 6.082 13.016
13 HA MET 2 HA MET 2 247.961 5.050 10.893
14 HB2 MET 2 1HB MET 2 244.953 4.934 11.210
15 HB3 MET 2 2HB MET 2 245.865 4.184 9.906
16 HG2 MET 2 1HG MET 2 245.974 3.497 12.831
17 HG3 MET 2 2HG MET 2 245.317 2.514 11.524
18 HE1 MET 2 1HE MET 2 248.536 0.561 12.707
19 HE2 MET 2 2HE MET 2 246.788 0.481 12.498
20 HE3 MET 2 3HE MET 2 247.480 1.533 13.732
21 H LYS 3 H LYS 3 248.754 7.083 10.262
22 HA LYS 3 HA LYS 3 246.811 8.845 8.953
23 HB2 LYS 3 1HB LYS 3 248.419 10.628 9.109
24 HB3 LYS 3 2HB LYS 3 248.236 9.900 10.693
25 HG2 LYS 3 1HG LYS 3 250.478 9.114 8.866
26 HG3 LYS 3 2HG LYS 3 250.586 10.533 9.905
27 HD2 LYS 3 1HD LYS 3 250.034 9.010 11.840
28 HD3 LYS 3 2HD LYS 3 250.250 7.658 10.731
29 HE2 LYS 3 1HE LYS 3 252.276 8.107 12.040
30 HE3 LYS 3 2HE LYS 3 252.539 8.324 10.310
31 HZ1 LYS 3 1HZ LYS 3 253.527 10.093 11.683
32 HZ2 LYS 3 2HZ LYS 3 251.984 10.537 12.211
33 HZ3 LYS 3 3HZ LYS 3 252.396 10.684 10.577
34 H LYS 4 H LYS 4 248.035 10.106 7.084
35 HA LYS 4 HA LYS 4 248.352 9.907 4.852
36 HB2 LYS 4 1HB LYS 4 250.582 9.249 4.203
37 HB3 LYS 4 2HB LYS 4 250.638 10.166 5.697
38 HG2 LYS 4 1HG LYS 4 250.986 8.137 6.969
39 HG3 LYS 4 2HG LYS 4 250.831 7.167 5.501
40 HD2 LYS 4 1HD LYS 4 252.792 8.321 4.559
41 HD3 LYS 4 2HD LYS 4 252.958 9.234 6.058
42 HE2 LYS 4 1HE LYS 4 253.124 6.232 5.812
43 HE3 LYS 4 2HE LYS 4 254.502 7.320 5.944
44 HZ1 LYS 4 1HZ LYS 4 253.663 8.020 8.117
45 HZ2 LYS 4 2HZ LYS 4 253.989 6.363 8.075
46 HZ3 LYS 4 3HZ LYS 4 252.393 6.910 7.993
47 H ARG 5 H ARG 5 246.619 7.919 5.826
48 HA ARG 5 HA ARG 5 247.326 5.494 4.383
49 HB2 ARG 5 1HB ARG 5 245.282 4.533 5.349
50 HB3 ARG 5 2HB ARG 5 246.343 5.195 6.582
51 HG2 ARG 5 1HG ARG 5 244.937 7.138 6.810
52 HG3 ARG 5 2HG ARG 5 243.913 6.586 5.483
53 HD2 ARG 5 1HD ARG 5 243.272 4.626 6.768
54 HD3 ARG 5 2HD ARG 5 244.342 5.116 8.081
55 HE ARG 5 HE ARG 5 242.719 7.244 7.851
56 HH11 ARG 5 1HH1 ARG 5 242.048 3.820 8.049
57 HH12 ARG 5 2HH1 ARG 5 240.540 4.026 8.877
58 HH21 ARG 5 1HH2 ARG 5 240.728 7.533 8.948
59 HH22 ARG 5 2HH2 ARG 5 239.783 6.147 9.386
60 H THR 6 H THR 6 246.620 8.144 3.156
61 HA THR 6 HA THR 6 244.420 7.309 1.420
62 HB THR 6 HB THR 6 246.024 9.862 1.227
63 HG1 THR 6 HG1 THR 6 243.640 9.407 2.737
64 HG21 THR 6 1HG2 THR 6 243.994 10.730 0.170
65 HG22 THR 6 2HG2 THR 6 243.209 9.166 0.382
66 HG23 THR 6 3HG2 THR 6 244.602 9.316 -0.692
67 H TYR 7 H TYR 7 247.728 7.113 1.719
68 HA TYR 7 HA TYR 7 248.135 6.808 -1.173
69 HB2 TYR 7 1HB TYR 7 250.073 7.772 0.940
70 HB3 TYR 7 2HB TYR 7 250.521 7.412 -0.728
71 HD1 TYR 7 HD1 TYR 7 249.668 8.800 -2.565
72 HD2 TYR 7 HD2 TYR 7 248.898 9.782 1.499
73 HE1 TYR 7 HE1 TYR 7 249.020 11.064 -3.241
74 HE2 TYR 7 HE2 TYR 7 248.246 12.054 0.833
75 HH TYR 7 HH TYR 7 248.397 13.581 -0.901
76 H CYS 8 H CYS 8 249.240 5.093 -1.889
77 HA CYS 8 HA CYS 8 248.888 2.667 -0.636
78 HB2 CYS 8 1HB CYS 8 249.173 2.734 -2.973
79 HB3 CYS 8 2HB CYS 8 250.709 3.569 -2.848
80 H THR 9 H THR 9 249.797 1.721 0.997
81 HA THR 9 HA THR 9 251.948 2.725 2.477
82 HB THR 9 HB THR 9 250.896 -0.109 2.473
83 HG1 THR 9 HG1 THR 9 249.895 2.283 3.634
84 HG21 THR 9 1HG2 THR 9 252.180 1.542 4.650
85 HG22 THR 9 2HG2 THR 9 252.922 0.187 3.799
86 HG23 THR 9 3HG2 THR 9 251.526 -0.085 4.841
87 H TYR 10 H TYR 10 251.855 0.570 -0.235
88 HA TYR 10 HA TYR 10 254.541 -0.416 0.158
89 HB2 TYR 10 1HB TYR 10 252.416 -0.826 -1.911
90 HB3 TYR 10 2HB TYR 10 254.079 -1.272 -2.277
91 HD1 TYR 10 HD1 TYR 10 254.467 -3.507 -2.072
92 HD2 TYR 10 HD2 TYR 10 251.813 -1.656 0.684
93 HE1 TYR 10 HE1 TYR 10 254.181 -5.657 -0.915
94 HE2 TYR 10 HE2 TYR 10 251.516 -3.796 1.850
95 HH TYR 10 HH TYR 10 253.547 -6.457 1.330
96 H CYS 11 H CYS 11 253.021 2.254 -1.340
97 HA CYS 11 HA CYS 11 255.296 2.845 -3.064
98 HB2 CYS 11 1HB CYS 11 252.572 4.038 -2.693
99 HB3 CYS 11 2HB CYS 11 253.838 4.989 -3.450
100 HA PRO 12 HA PRO 12 257.328 5.229 0.127
101 HB2 PRO 12 1HB PRO 12 258.557 6.590 -2.203
102 HB3 PRO 12 2HB PRO 12 259.332 5.783 -0.839
103 HG2 PRO 12 1HG PRO 12 259.287 4.669 -3.272
104 HG3 PRO 12 2HG PRO 12 259.154 3.690 -1.798
105 HD2 PRO 12 1HD PRO 12 257.033 4.507 -3.733
106 HD3 PRO 12 2HD PRO 12 257.226 2.985 -2.838
107 H SER 13 H SER 13 257.066 7.240 1.017
108 HA SER 13 HA SER 13 254.762 8.663 0.263
109 HB2 SER 13 1HB SER 13 256.951 9.453 2.194
110 HB3 SER 13 2HB SER 13 255.348 10.183 2.102
111 HG SER 13 HG SER 13 254.667 7.822 2.367
112 H LYS 14 H LYS 14 258.035 9.016 -0.748
113 HA LYS 14 HA LYS 14 257.727 11.730 -1.651
114 HB2 LYS 14 1HB LYS 14 259.804 9.637 -2.309
115 HB3 LYS 14 2HB LYS 14 259.863 11.302 -2.867
116 HG2 LYS 14 1HG LYS 14 259.956 10.384 -0.005
117 HG3 LYS 14 2HG LYS 14 261.309 10.996 -0.956
118 HD2 LYS 14 1HD LYS 14 260.073 13.141 -1.214
119 HD3 LYS 14 2HD LYS 14 258.841 12.512 -0.118
120 HE2 LYS 14 1HE LYS 14 260.353 13.910 1.123
121 HE3 LYS 14 2HE LYS 14 260.584 12.234 1.614
122 HZ1 LYS 14 1HZ LYS 14 262.300 13.726 -0.294
123 HZ2 LYS 14 2HZ LYS 14 262.523 12.121 0.180
124 HZ3 LYS 14 3HZ LYS 14 262.692 13.364 1.310
125 H ILE 15 H ILE 15 256.896 8.631 -2.829
126 HA ILE 15 HA ILE 15 256.722 9.436 -5.609
127 HB ILE 15 HB ILE 15 255.717 6.927 -4.250
128 HG12 ILE 15 1HG1 ILE 15 258.133 7.100 -4.050
129 HG13 ILE 15 2HG1 ILE 15 257.723 5.850 -5.218
130 HG21 ILE 15 1HG2 ILE 15 254.556 7.356 -6.344
131 HG22 ILE 15 2HG2 ILE 15 255.631 5.965 -6.496
132 HG23 ILE 15 3HG2 ILE 15 256.102 7.520 -7.180
133 HD11 ILE 15 1HD1 ILE 15 258.204 7.425 -7.035
134 HD12 ILE 15 2HD1 ILE 15 259.598 7.149 -5.991
135 HD13 ILE 15 3HD1 ILE 15 258.665 8.637 -5.840
136 H ARG 16 H ARG 16 254.621 8.964 -2.837
137 HA ARG 16 HA ARG 16 252.429 9.431 -2.442
138 HB2 ARG 16 1HB ARG 16 253.199 11.636 -4.331
139 HB3 ARG 16 2HB ARG 16 251.582 11.538 -3.647
140 HG2 ARG 16 1HG ARG 16 252.590 11.585 -1.386
141 HG3 ARG 16 2HG ARG 16 254.169 11.832 -2.139
142 HD2 ARG 16 1HD ARG 16 253.213 13.953 -1.428
143 HD3 ARG 16 2HD ARG 16 253.342 13.884 -3.184
144 HE ARG 16 HE ARG 16 250.787 13.013 -2.471
145 HH11 ARG 16 1HH1 ARG 16 252.693 15.937 -2.402
146 HH12 ARG 16 2HH1 ARG 16 251.321 16.991 -2.521
147 HH21 ARG 16 1HH2 ARG 16 248.965 14.389 -2.637
148 HH22 ARG 16 2HH2 ARG 16 249.197 16.109 -2.654
149 H ARG 17 H ARG 17 252.149 7.319 -3.691
150 HA ARG 17 HA ARG 17 250.473 7.734 -6.054
151 HB2 ARG 17 1HB ARG 17 252.175 5.947 -6.187
152 HB3 ARG 17 2HB ARG 17 251.469 5.172 -4.776
153 HG2 ARG 17 1HG ARG 17 250.605 3.937 -6.522
154 HG3 ARG 17 2HG ARG 17 249.308 5.085 -6.184
155 HD2 ARG 17 1HD ARG 17 249.499 5.103 -8.514
156 HD3 ARG 17 2HD ARG 17 250.380 6.538 -8.002
157 HE ARG 17 HE ARG 17 251.722 3.996 -8.691
158 HH11 ARG 17 1HH1 ARG 17 251.518 7.494 -8.860
159 HH12 ARG 17 2HH1 ARG 17 252.938 7.649 -9.841
160 HH21 ARG 17 1HH2 ARG 17 253.560 4.197 -9.988
161 HH22 ARG 17 2HH2 ARG 17 254.101 5.770 -10.494
162 H LYS 18 H LYS 18 248.357 7.970 -5.739
163 HA LYS 18 HA LYS 18 247.082 7.708 -3.258
164 HB2 LYS 18 1HB LYS 18 245.860 7.653 -6.028
165 HB3 LYS 18 2HB LYS 18 244.964 7.880 -4.534
166 HG2 LYS 18 1HG LYS 18 247.156 9.744 -5.394
167 HG3 LYS 18 2HG LYS 18 245.478 9.951 -5.894
168 HD2 LYS 18 1HD LYS 18 244.858 9.968 -3.463
169 HD3 LYS 18 2HD LYS 18 246.584 10.001 -3.091
170 HE2 LYS 18 1HE LYS 18 246.835 12.085 -4.312
171 HE3 LYS 18 2HE LYS 18 245.139 12.037 -4.784
172 HZ1 LYS 18 1HZ LYS 18 246.218 12.388 -2.041
173 HZ2 LYS 18 2HZ LYS 18 244.581 12.153 -2.389
174 HZ3 LYS 18 3HZ LYS 18 245.376 13.527 -2.966
175 H ALA 19 H ALA 19 246.052 6.066 -2.268
176 HA ALA 19 HA ALA 19 246.366 3.414 -3.436
177 HB1 ALA 19 1HB ALA 19 247.085 3.825 -1.117
178 HB2 ALA 19 2HB ALA 19 245.853 2.569 -1.239
179 HB3 ALA 19 3HB ALA 19 245.414 4.187 -0.686
180 H ASN 20 H ASN 20 244.785 2.953 -4.832
181 HA ASN 20 HA ASN 20 242.063 3.792 -4.356
182 HB2 ASN 20 1HB ASN 20 243.225 2.049 -6.543
183 HB3 ASN 20 2HB ASN 20 241.568 2.641 -6.490
184 HD21 ASN 20 1HD2 ASN 20 243.646 3.088 -8.478
185 HD22 ASN 20 2HD2 ASN 20 243.844 4.802 -8.583
186 H ALA 21 H ALA 21 244.001 1.141 -3.542
187 HA ALA 21 HA ALA 21 241.613 -0.456 -2.908
188 HB1 ALA 21 1HB ALA 21 244.314 -1.482 -3.772
189 HB2 ALA 21 2HB ALA 21 242.835 -1.507 -4.731
190 HB3 ALA 21 3HB ALA 21 242.952 -2.478 -3.266
191 H SER 22 H SER 22 242.033 -2.016 -1.093
192 HA SER 22 HA SER 22 244.113 -1.190 0.759
193 HB2 SER 22 1HB SER 22 241.186 -1.130 1.525
194 HB3 SER 22 2HB SER 22 242.552 -0.791 2.591
195 HG SER 22 HG SER 22 242.785 0.746 0.435
196 H CYS 23 H CYS 23 244.886 -2.852 1.881
197 HA CYS 23 HA CYS 23 243.844 -5.482 1.369
198 HB2 CYS 23 1HB CYS 23 246.262 -4.993 1.463
199 HB3 CYS 23 2HB CYS 23 246.096 -4.556 3.157
200 H LYS 24 H LYS 24 242.444 -6.558 2.611
201 HA LYS 24 HA LYS 24 241.074 -5.046 4.596
202 HB2 LYS 24 1HB LYS 24 240.659 -7.943 3.857
203 HB3 LYS 24 2HB LYS 24 239.513 -6.891 4.674
204 HG2 LYS 24 1HG LYS 24 240.475 -6.624 1.832
205 HG3 LYS 24 2HG LYS 24 238.885 -7.170 2.359
206 HD2 LYS 24 1HD LYS 24 238.460 -4.975 3.347
207 HD3 LYS 24 2HD LYS 24 240.057 -4.431 2.835
208 HE2 LYS 24 1HE LYS 24 237.829 -5.326 1.010
209 HE3 LYS 24 2HE LYS 24 238.304 -3.656 1.310
210 HZ1 LYS 24 1HZ LYS 24 239.944 -5.759 0.004
211 HZ2 LYS 24 2HZ LYS 24 240.520 -4.223 0.412
212 HZ3 LYS 24 3HZ LYS 24 239.282 -4.386 -0.728
213 H LYS 25 H LYS 25 243.279 -7.789 4.724
214 HA LYS 25 HA LYS 25 242.629 -8.557 7.368
215 HB2 LYS 25 1HB LYS 25 243.719 -10.031 5.683
216 HB3 LYS 25 2HB LYS 25 245.198 -9.101 5.879
217 HG2 LYS 25 1HG LYS 25 245.384 -9.783 8.177
218 HG3 LYS 25 2HG LYS 25 243.819 -10.595 8.101
219 HD2 LYS 25 1HD LYS 25 244.727 -12.120 6.388
220 HD3 LYS 25 2HD LYS 25 246.298 -11.333 6.548
221 HE2 LYS 25 1HE LYS 25 244.833 -12.711 8.795
222 HE3 LYS 25 2HE LYS 25 246.109 -13.451 7.830
223 HZ1 LYS 25 1HZ LYS 25 246.924 -12.553 9.939
224 HZ2 LYS 25 2HZ LYS 25 246.435 -11.001 9.477
225 HZ3 LYS 25 3HZ LYS 25 247.649 -11.797 8.612
226 H CYS 26 H CYS 26 245.017 -6.288 6.095
227 HA CYS 26 HA CYS 26 245.900 -5.824 8.866
228 HB2 CYS 26 1HB CYS 26 248.001 -4.977 7.951
229 HB3 CYS 26 2HB CYS 26 247.690 -6.614 7.389
230 H LYS 27 H LYS 27 244.199 -4.493 6.288
231 HA LYS 27 HA LYS 27 243.136 -2.539 5.964
232 HB2 LYS 27 1HB LYS 27 244.107 -1.870 8.744
233 HB3 LYS 27 2HB LYS 27 243.000 -0.871 7.815
234 HG2 LYS 27 1HG LYS 27 242.495 -3.698 8.730
235 HG3 LYS 27 2HG LYS 27 241.806 -2.236 9.434
236 HD2 LYS 27 1HD LYS 27 241.362 -3.200 6.605
237 HD3 LYS 27 2HD LYS 27 240.229 -3.389 7.940
238 HE2 LYS 27 1HE LYS 27 241.214 -0.740 6.889
239 HE3 LYS 27 2HE LYS 27 239.689 -1.493 6.435
240 HZ1 LYS 27 1HZ LYS 27 239.022 -1.410 8.772
241 HZ2 LYS 27 2HZ LYS 27 239.337 0.130 8.156
242 HZ3 LYS 27 3HZ LYS 27 240.467 -0.623 9.166
243 H LYS 28 H LYS 28 246.152 -2.954 5.545
244 HA LYS 28 HA LYS 28 247.056 -0.215 5.356
245 HB2 LYS 28 1HB LYS 28 248.248 -2.876 4.719
246 HB3 LYS 28 2HB LYS 28 248.884 -1.466 3.884
247 HG2 LYS 28 1HG LYS 28 250.224 -1.920 5.819
248 HG3 LYS 28 2HG LYS 28 249.338 -0.416 6.069
249 HD2 LYS 28 1HD LYS 28 247.669 -1.661 7.396
250 HD3 LYS 28 2HD LYS 28 248.636 -3.123 7.194
251 HE2 LYS 28 1HE LYS 28 250.520 -2.004 8.310
252 HE3 LYS 28 2HE LYS 28 249.513 -0.577 8.548
253 HZ1 LYS 28 1HZ LYS 28 249.005 -3.275 9.678
254 HZ2 LYS 28 2HZ LYS 28 248.007 -1.925 9.881
255 HZ3 LYS 28 3HZ LYS 28 249.567 -1.926 10.531
256 H VAL 29 H VAL 29 246.897 1.070 3.660
257 HA VAL 29 HA VAL 29 245.205 0.220 1.484
258 HB VAL 29 HB VAL 29 245.304 2.587 0.772
259 HG11 VAL 29 1HG1 VAL 29 243.586 1.855 2.328
260 HG12 VAL 29 2HG1 VAL 29 244.091 3.505 2.694
261 HG13 VAL 29 3HG1 VAL 29 244.665 2.165 3.688
262 HG21 VAL 29 1HG2 VAL 29 247.042 2.958 3.210
263 HG22 VAL 29 2HG2 VAL 29 246.394 4.246 2.195
264 HG23 VAL 29 3HG2 VAL 29 247.568 3.109 1.533
265 H ILE 30 H ILE 30 245.790 0.071 -0.667
266 HA ILE 30 HA ILE 30 248.651 0.300 -1.270
267 HB ILE 30 HB ILE 30 248.542 -1.934 -2.434
268 HG12 ILE 30 1HG1 ILE 30 246.076 -2.277 -0.710
269 HG13 ILE 30 2HG1 ILE 30 246.068 -2.103 -2.460
270 HG21 ILE 30 1HG2 ILE 30 248.954 -3.221 -0.387
271 HG22 ILE 30 2HG2 ILE 30 248.245 -1.919 0.567
272 HG23 ILE 30 3HG2 ILE 30 249.734 -1.640 -0.337
273 HD11 ILE 30 1HD1 ILE 30 247.269 -4.184 -2.696
274 HD12 ILE 30 2HD1 ILE 30 245.805 -4.423 -1.743
275 HD13 ILE 30 3HD1 ILE 30 247.376 -4.345 -0.945
276 H CYS 31 H CYS 31 249.139 0.294 -3.519
277 HA CYS 31 HA CYS 31 246.922 1.183 -5.194
278 HB2 CYS 31 1HB CYS 31 248.552 2.054 -6.697
279 HB3 CYS 31 2HB CYS 31 249.158 2.434 -5.092
280 H ARG 32 H ARG 32 246.318 0.074 -7.049
281 HA ARG 32 HA ARG 32 246.681 -2.749 -6.991
282 HB2 ARG 32 1HB ARG 32 245.442 -0.961 -9.087
283 HB3 ARG 32 2HB ARG 32 245.351 -2.717 -9.093
284 HG2 ARG 32 1HG ARG 32 244.124 -2.692 -7.010
285 HG3 ARG 32 2HG ARG 32 244.273 -0.936 -6.919
286 HD2 ARG 32 1HD ARG 32 242.075 -1.606 -7.746
287 HD3 ARG 32 2HD ARG 32 242.975 -0.700 -8.958
288 HE ARG 32 HE ARG 32 243.190 -3.577 -9.163
289 HH11 ARG 32 1HH1 ARG 32 241.467 -0.704 -10.160
290 HH12 ARG 32 2HH1 ARG 32 240.824 -1.434 -11.596
291 HH21 ARG 32 1HH2 ARG 32 242.335 -4.550 -11.052
292 HH22 ARG 32 2HH2 ARG 32 241.314 -3.619 -12.101
293 H GLU 33 H GLU 33 248.465 -0.228 -8.246
294 HA GLU 33 HA GLU 33 249.809 -1.551 -10.377
295 HB2 GLU 33 1HB GLU 33 249.666 0.915 -10.083
296 HB3 GLU 33 2HB GLU 33 250.672 0.780 -8.652
297 HG2 GLU 33 1HG GLU 33 252.508 -0.057 -10.027
298 HG3 GLU 33 2HG GLU 33 251.491 0.096 -11.462
299 H HIS 34 H HIS 34 249.954 -1.635 -6.959
300 HA HIS 34 HA HIS 34 252.522 -3.059 -7.000
301 HB2 HIS 34 1HB HIS 34 251.140 -1.398 -4.990
302 HB3 HIS 34 2HB HIS 34 251.888 -2.858 -4.352
303 HD2 HIS 34 HD2 HIS 34 254.564 -2.761 -6.272
304 HE1 HIS 34 HE1 HIS 34 255.189 0.901 -4.258
305 HE2 HIS 34 HE2 HIS 34 256.312 -1.038 -5.446
306 H ASN 35 H ASN 35 249.300 -3.278 -5.503
307 HA ASN 35 HA ASN 35 249.374 -6.174 -5.819
308 HB2 ASN 35 1HB ASN 35 249.397 -4.734 -3.209
309 HB3 ASN 35 2HB ASN 35 248.399 -6.177 -3.340
310 HD21 ASN 35 1HD2 ASN 35 250.108 -7.585 -5.148
311 HD22 ASN 35 2HD2 ASN 35 251.517 -8.049 -4.264
312 H ILE 36 H ILE 36 247.397 -7.090 -6.073
313 HA ILE 36 HA ILE 36 245.210 -5.245 -6.542
314 HB ILE 36 HB ILE 36 245.343 -8.230 -7.002
315 HG12 ILE 36 1HG1 ILE 36 246.962 -7.031 -8.389
316 HG13 ILE 36 2HG1 ILE 36 245.638 -7.634 -9.377
317 HG21 ILE 36 1HG2 ILE 36 243.055 -7.432 -6.745
318 HG22 ILE 36 2HG2 ILE 36 243.372 -7.895 -8.417
319 HG23 ILE 36 3HG2 ILE 36 243.338 -6.191 -7.965
320 HD11 ILE 36 1HD1 ILE 36 244.636 -5.389 -9.354
321 HD12 ILE 36 2HD1 ILE 36 246.246 -5.413 -10.070
322 HD13 ILE 36 3HD1 ILE 36 246.020 -4.805 -8.430
323 H ASP 37 H ASP 37 244.607 -4.632 -4.506
324 HA ASP 37 HA ASP 37 243.083 -4.604 -2.825
325 HB2 ASP 37 1HB ASP 37 241.719 -6.071 -4.337
326 HB3 ASP 37 2HB ASP 37 242.400 -7.463 -3.506
327 H MET 38 H MET 38 244.980 -7.594 -2.943
328 HA MET 38 HA MET 38 245.133 -7.513 -0.002
329 HB2 MET 38 1HB MET 38 244.273 -9.622 -0.863
330 HB3 MET 38 2HB MET 38 245.658 -9.781 -1.936
331 HG2 MET 38 1HG MET 38 247.135 -9.962 0.014
332 HG3 MET 38 2HG MET 38 245.732 -9.843 1.074
333 HE1 MET 38 1HE MET 38 246.409 -13.354 -1.848
334 HE2 MET 38 2HE MET 38 247.488 -11.965 -1.724
335 HE3 MET 38 3HE MET 38 245.862 -11.762 -2.371
336 H CYS 39 H CYS 39 247.045 -7.116 0.971
337 HA CYS 39 HA CYS 39 249.275 -6.391 -0.720
338 HB2 CYS 39 1HB CYS 39 250.138 -5.252 1.085
339 HB3 CYS 39 2HB CYS 39 248.438 -5.255 1.531
340 H GLN 40 H GLN 40 251.395 -7.243 -0.448
341 HA GLN 40 HA GLN 40 251.399 -10.055 -0.639
342 HB2 GLN 40 1HB GLN 40 252.922 -8.504 -1.865
343 HB3 GLN 40 2HB GLN 40 253.775 -8.210 -0.356
344 HG2 GLN 40 1HG GLN 40 254.273 -10.638 -0.240
345 HG3 GLN 40 2HG GLN 40 253.552 -10.814 -1.837
346 HE21 GLN 40 1HE2 GLN 40 254.608 -8.204 -2.716
347 HE22 GLN 40 2HE2 GLN 40 256.289 -8.469 -3.011
348 H SER 41 H SER 41 251.669 -8.004 2.065
349 HA SER 41 HA SER 41 253.282 -9.843 3.619
350 HB2 SER 41 1HB SER 41 251.942 -7.246 4.393
351 HB3 SER 41 2HB SER 41 253.057 -8.161 5.410
352 HG SER 41 HG SER 41 254.355 -7.900 3.210
353 H CYS 42 H CYS 42 250.169 -9.992 2.706
354 HA CYS 42 HA CYS 42 249.410 -11.291 5.238
355 HB2 CYS 42 1HB CYS 42 247.629 -9.792 3.317
356 HB3 CYS 42 2HB CYS 42 247.020 -10.834 4.597
357 H PHE 43 H PHE 43 248.234 -13.200 5.107
358 HA PHE 43 HA PHE 43 247.787 -15.284 4.349
359 HB2 PHE 43 1HB PHE 43 247.141 -13.769 1.812
360 HB3 PHE 43 2HB PHE 43 246.732 -15.456 2.097
361 HD1 PHE 43 HD1 PHE 43 245.028 -16.058 3.746
362 HD2 PHE 43 HD2 PHE 43 245.900 -11.993 2.839
363 HE1 PHE 43 HE1 PHE 43 242.919 -15.370 4.809
364 HE2 PHE 43 HE2 PHE 43 243.794 -11.300 3.902
365 HZ PHE 43 HZ PHE 43 242.301 -12.988 4.889
Start of MODEL 2
1 H1 VAL 1 1H VAL 1 247.835 16.834 7.397
2 H2 VAL 1 2H VAL 1 248.806 17.000 8.772
3 H3 VAL 1 3H VAL 1 247.190 17.494 8.814
4 HA VAL 1 HA VAL 1 247.535 15.396 9.958
5 HB VAL 1 HB VAL 1 245.343 15.865 8.991
6 HG11 VAL 1 1HG1 VAL 1 244.708 15.025 6.780
7 HG12 VAL 1 2HG1 VAL 1 246.375 14.527 6.494
8 HG13 VAL 1 3HG1 VAL 1 245.986 16.237 6.675
9 HG21 VAL 1 1HG2 VAL 1 245.632 13.724 10.090
10 HG22 VAL 1 2HG2 VAL 1 246.195 13.001 8.584
11 HG23 VAL 1 3HG2 VAL 1 244.529 13.559 8.724
12 H MET 2 H MET 2 248.667 13.561 10.083
13 HA MET 2 HA MET 2 250.020 12.617 7.654
14 HB2 MET 2 1HB MET 2 250.589 12.138 10.581
15 HB3 MET 2 2HB MET 2 251.401 11.264 9.292
16 HG2 MET 2 1HG MET 2 251.469 14.241 9.721
17 HG3 MET 2 2HG MET 2 252.757 13.103 10.112
18 HE1 MET 2 1HE MET 2 254.151 11.762 8.314
19 HE2 MET 2 2HE MET 2 253.881 11.870 6.574
20 HE3 MET 2 3HE MET 2 252.672 11.110 7.608
21 H LYS 3 H LYS 3 247.723 11.872 7.173
22 HA LYS 3 HA LYS 3 246.803 9.531 8.558
23 HB2 LYS 3 1HB LYS 3 245.345 11.226 7.318
24 HB3 LYS 3 2HB LYS 3 245.911 10.473 5.833
25 HG2 LYS 3 1HG LYS 3 243.817 9.510 6.331
26 HG3 LYS 3 2HG LYS 3 245.036 8.296 6.726
27 HD2 LYS 3 1HD LYS 3 244.889 8.923 9.088
28 HD3 LYS 3 2HD LYS 3 243.669 10.133 8.692
29 HE2 LYS 3 1HE LYS 3 242.204 8.350 7.845
30 HE3 LYS 3 2HE LYS 3 243.420 7.154 8.285
31 HZ1 LYS 3 1HZ LYS 3 241.996 8.958 10.163
32 HZ2 LYS 3 2HZ LYS 3 243.183 7.840 10.600
33 HZ3 LYS 3 3HZ LYS 3 241.711 7.304 9.968
34 H LYS 4 H LYS 4 248.071 7.810 8.438
35 HA LYS 4 HA LYS 4 249.867 7.329 6.306
36 HB2 LYS 4 1HB LYS 4 250.204 6.630 8.684
37 HB3 LYS 4 2HB LYS 4 248.967 5.404 8.451
38 HG2 LYS 4 1HG LYS 4 251.168 4.427 8.284
39 HG3 LYS 4 2HG LYS 4 250.347 4.351 6.724
40 HD2 LYS 4 1HD LYS 4 251.635 6.167 5.870
41 HD3 LYS 4 2HD LYS 4 252.297 6.526 7.465
42 HE2 LYS 4 1HE LYS 4 253.938 5.371 6.085
43 HE3 LYS 4 2HE LYS 4 253.469 4.378 7.462
44 HZ1 LYS 4 1HZ LYS 4 253.571 3.049 5.482
45 HZ2 LYS 4 2HZ LYS 4 252.509 4.078 4.671
46 HZ3 LYS 4 3HZ LYS 4 251.962 3.163 5.983
47 H ARG 5 H ARG 5 246.679 6.119 7.109
48 HA ARG 5 HA ARG 5 246.814 4.078 5.060
49 HB2 ARG 5 1HB ARG 5 244.731 4.814 7.094
50 HB3 ARG 5 2HB ARG 5 244.417 3.636 5.826
51 HG2 ARG 5 1HG ARG 5 246.255 2.261 6.618
52 HG3 ARG 5 2HG ARG 5 246.628 3.456 7.860
53 HD2 ARG 5 1HD ARG 5 243.998 2.006 7.630
54 HD3 ARG 5 2HD ARG 5 245.320 1.498 8.677
55 HE ARG 5 HE ARG 5 243.656 3.890 8.998
56 HH11 ARG 5 1HH1 ARG 5 246.188 1.789 10.198
57 HH12 ARG 5 2HH1 ARG 5 246.162 2.463 11.795
58 HH21 ARG 5 1HH2 ARG 5 243.608 4.770 11.106
59 HH22 ARG 5 2HH2 ARG 5 244.692 4.154 12.314
60 H THR 6 H THR 6 246.819 6.986 4.379
61 HA THR 6 HA THR 6 244.566 6.896 2.487
62 HB THR 6 HB THR 6 246.293 9.237 3.328
63 HG1 THR 6 HG1 THR 6 244.232 9.984 4.128
64 HG21 THR 6 1HG2 THR 6 245.696 9.420 0.957
65 HG22 THR 6 2HG2 THR 6 244.836 10.618 1.925
66 HG23 THR 6 3HG2 THR 6 243.999 9.170 1.362
67 H TYR 7 H TYR 7 248.002 6.922 2.848
68 HA TYR 7 HA TYR 7 248.359 6.865 -0.061
69 HB2 TYR 7 1HB TYR 7 250.278 7.455 2.192
70 HB3 TYR 7 2HB TYR 7 250.813 7.163 0.539
71 HD1 TYR 7 HD1 TYR 7 249.649 9.606 2.853
72 HD2 TYR 7 HD2 TYR 7 249.814 8.658 -1.286
73 HE1 TYR 7 HE1 TYR 7 249.282 11.973 2.302
74 HE2 TYR 7 HE2 TYR 7 249.455 11.016 -1.850
75 HH TYR 7 HH TYR 7 249.754 13.506 0.394
76 H CYS 8 H CYS 8 249.409 5.185 -1.025
77 HA CYS 8 HA CYS 8 248.908 2.636 -0.062
78 HB2 CYS 8 1HB CYS 8 249.173 2.984 -2.383
79 HB3 CYS 8 2HB CYS 8 250.781 3.659 -2.178
80 H THR 9 H THR 9 249.817 1.396 1.369
81 HA THR 9 HA THR 9 252.039 2.170 2.919
82 HB THR 9 HB THR 9 250.789 -0.573 2.702
83 HG1 THR 9 HG1 THR 9 250.010 1.778 4.080
84 HG21 THR 9 1HG2 THR 9 252.274 0.752 4.972
85 HG22 THR 9 2HG2 THR 9 252.912 -0.521 3.931
86 HG23 THR 9 3HG2 THR 9 251.553 -0.858 5.001
87 H TYR 10 H TYR 10 251.706 0.175 0.086
88 HA TYR 10 HA TYR 10 254.320 -1.004 0.344
89 HB2 TYR 10 1HB TYR 10 252.133 -1.154 -1.695
90 HB3 TYR 10 2HB TYR 10 253.749 -1.725 -2.103
91 HD1 TYR 10 HD1 TYR 10 253.821 -4.023 -2.047
92 HD2 TYR 10 HD2 TYR 10 251.648 -1.974 0.977
93 HE1 TYR 10 HE1 TYR 10 253.399 -6.161 -0.906
94 HE2 TYR 10 HE2 TYR 10 251.214 -4.098 2.122
95 HH TYR 10 HH TYR 10 251.210 -6.406 1.795
96 H CYS 11 H CYS 11 252.994 1.852 -0.988
97 HA CYS 11 HA CYS 11 255.294 2.387 -2.667
98 HB2 CYS 11 1HB CYS 11 252.786 3.880 -1.986
99 HB3 CYS 11 2HB CYS 11 254.150 4.747 -2.675
100 HA PRO 12 HA PRO 12 257.883 3.858 0.658
101 HB2 PRO 12 1HB PRO 12 258.937 5.569 -1.544
102 HB3 PRO 12 2HB PRO 12 259.810 4.528 -0.416
103 HG2 PRO 12 1HG PRO 12 259.429 3.789 -2.952
104 HG3 PRO 12 2HG PRO 12 259.362 2.609 -1.630
105 HD2 PRO 12 1HD PRO 12 257.146 3.813 -3.214
106 HD3 PRO 12 2HD PRO 12 257.282 2.191 -2.506
107 H SER 13 H SER 13 258.234 5.808 1.814
108 HA SER 13 HA SER 13 255.865 7.318 2.001
109 HB2 SER 13 1HB SER 13 258.525 7.953 3.282
110 HB3 SER 13 2HB SER 13 256.922 8.414 3.855
111 HG SER 13 HG SER 13 256.826 5.827 3.605
112 H LYS 14 H LYS 14 258.835 7.902 0.296
113 HA LYS 14 HA LYS 14 258.251 10.698 -0.162
114 HB2 LYS 14 1HB LYS 14 260.338 8.848 -1.323
115 HB3 LYS 14 2HB LYS 14 260.190 10.543 -1.761
116 HG2 LYS 14 1HG LYS 14 260.701 9.532 1.027
117 HG3 LYS 14 2HG LYS 14 261.942 10.123 -0.081
118 HD2 LYS 14 1HD LYS 14 260.807 12.301 -0.164
119 HD3 LYS 14 2HD LYS 14 259.594 11.704 0.966
120 HE2 LYS 14 1HE LYS 14 262.546 11.970 1.516
121 HE3 LYS 14 2HE LYS 14 261.286 13.055 2.099
122 HZ1 LYS 14 1HZ LYS 14 261.576 10.183 2.790
123 HZ2 LYS 14 2HZ LYS 14 260.314 11.181 3.308
124 HZ3 LYS 14 3HZ LYS 14 261.897 11.494 3.807
125 H ILE 15 H ILE 15 257.211 7.778 -1.415
126 HA ILE 15 HA ILE 15 256.503 8.938 -4.017
127 HB ILE 15 HB ILE 15 256.225 6.067 -3.110
128 HG12 ILE 15 1HG1 ILE 15 258.586 6.709 -3.138
129 HG13 ILE 15 2HG1 ILE 15 258.231 5.601 -4.456
130 HG21 ILE 15 1HG2 ILE 15 254.726 6.640 -4.921
131 HG22 ILE 15 2HG2 ILE 15 256.009 5.584 -5.510
132 HG23 ILE 15 3HG2 ILE 15 256.065 7.314 -5.848
133 HD11 ILE 15 1HD1 ILE 15 259.715 7.361 -5.184
134 HD12 ILE 15 2HD1 ILE 15 258.552 8.584 -4.674
135 HD13 ILE 15 3HD1 ILE 15 258.160 7.495 -6.004
136 H ARG 16 H ARG 16 254.928 10.302 -3.013
137 HA ARG 16 HA ARG 16 252.833 9.199 -1.406
138 HB2 ARG 16 1HB ARG 16 253.223 11.936 -2.611
139 HB3 ARG 16 2HB ARG 16 251.857 11.510 -1.592
140 HG2 ARG 16 1HG ARG 16 253.381 10.993 0.245
141 HG3 ARG 16 2HG ARG 16 254.756 11.421 -0.777
142 HD2 ARG 16 1HD ARG 16 252.512 13.264 0.037
143 HD3 ARG 16 2HD ARG 16 254.136 13.257 0.723
144 HE ARG 16 HE ARG 16 254.708 13.663 -1.828
145 HH11 ARG 16 1HH1 ARG 16 252.206 15.123 0.145
146 HH12 ARG 16 2HH1 ARG 16 252.192 16.607 -0.753
147 HH21 ARG 16 1HH2 ARG 16 254.686 15.613 -3.010
148 HH22 ARG 16 2HH2 ARG 16 253.607 16.888 -2.545
149 H ARG 17 H ARG 17 251.995 7.603 -2.816
150 HA ARG 17 HA ARG 17 250.127 8.730 -4.791
151 HB2 ARG 17 1HB ARG 17 251.259 5.926 -4.638
152 HB3 ARG 17 2HB ARG 17 250.033 6.450 -5.784
153 HG2 ARG 17 1HG ARG 17 251.638 8.093 -6.695
154 HG3 ARG 17 2HG ARG 17 252.866 7.455 -5.602
155 HD2 ARG 17 1HD ARG 17 253.200 6.427 -7.728
156 HD3 ARG 17 2HD ARG 17 252.507 5.208 -6.659
157 HE ARG 17 HE ARG 17 250.358 6.334 -7.936
158 HH11 ARG 17 1HH1 ARG 17 253.284 4.693 -8.937
159 HH12 ARG 17 2HH1 ARG 17 252.598 4.100 -10.416
160 HH21 ARG 17 1HH2 ARG 17 249.457 5.565 -9.892
161 HH22 ARG 17 2HH2 ARG 17 250.425 4.603 -10.961
162 H LYS 18 H LYS 18 248.031 8.590 -4.339
163 HA LYS 18 HA LYS 18 247.225 7.716 -1.762
164 HB2 LYS 18 1HB LYS 18 245.623 8.633 -4.152
165 HB3 LYS 18 2HB LYS 18 244.893 8.213 -2.612
166 HG2 LYS 18 1HG LYS 18 245.064 10.541 -2.576
167 HG3 LYS 18 2HG LYS 18 246.419 9.987 -1.594
168 HD2 LYS 18 1HD LYS 18 247.955 10.365 -3.394
169 HD3 LYS 18 2HD LYS 18 246.636 10.710 -4.511
170 HE2 LYS 18 1HE LYS 18 246.041 12.682 -3.174
171 HE3 LYS 18 2HE LYS 18 247.388 12.344 -2.089
172 HZ1 LYS 18 1HZ LYS 18 248.919 12.693 -3.896
173 HZ2 LYS 18 2HZ LYS 18 247.913 14.042 -3.755
174 HZ3 LYS 18 3HZ LYS 18 247.649 12.917 -4.990
175 H ALA 19 H ALA 19 246.277 5.899 -1.104
176 HA ALA 19 HA ALA 19 246.539 3.573 -2.727
177 HB1 ALA 19 1HB ALA 19 245.170 3.880 -0.062
178 HB2 ALA 19 2HB ALA 19 246.891 3.573 -0.295
179 HB3 ALA 19 3HB ALA 19 245.705 2.372 -0.803
180 H ASN 20 H ASN 20 244.969 2.228 -3.548
181 HA ASN 20 HA ASN 20 242.389 3.531 -4.054
182 HB2 ASN 20 1HB ASN 20 243.665 3.021 -6.067
183 HB3 ASN 20 2HB ASN 20 243.816 1.337 -5.580
184 HD21 ASN 20 1HD2 ASN 20 242.096 -0.051 -5.879
185 HD22 ASN 20 2HD2 ASN 20 240.686 0.387 -6.779
186 H ALA 21 H ALA 21 243.885 0.559 -2.938
187 HA ALA 21 HA ALA 21 241.244 -0.345 -2.010
188 HB1 ALA 21 1HB ALA 21 241.904 -2.661 -2.478
189 HB2 ALA 21 2HB ALA 21 243.416 -2.085 -3.179
190 HB3 ALA 21 3HB ALA 21 241.880 -1.683 -3.946
191 H SER 22 H SER 22 241.448 -1.965 -0.218
192 HA SER 22 HA SER 22 243.869 -1.519 1.384
193 HB2 SER 22 1HB SER 22 241.068 -1.625 2.518
194 HB3 SER 22 2HB SER 22 242.557 -1.230 3.376
195 HG SER 22 HG SER 22 242.244 0.390 1.244
196 H CYS 23 H CYS 23 244.595 -3.243 2.531
197 HA CYS 23 HA CYS 23 243.467 -5.846 1.868
198 HB2 CYS 23 1HB CYS 23 245.894 -5.432 1.657
199 HB3 CYS 23 2HB CYS 23 245.975 -5.067 3.374
200 H LYS 24 H LYS 24 241.878 -6.557 3.153
201 HA LYS 24 HA LYS 24 241.200 -5.262 5.570
202 HB2 LYS 24 1HB LYS 24 240.178 -7.774 4.259
203 HB3 LYS 24 2HB LYS 24 239.546 -7.203 5.795
204 HG2 LYS 24 1HG LYS 24 238.074 -6.469 4.074
205 HG3 LYS 24 2HG LYS 24 238.945 -5.058 4.674
206 HD2 LYS 24 1HD LYS 24 240.458 -5.171 2.763
207 HD3 LYS 24 2HD LYS 24 239.617 -6.605 2.172
208 HE2 LYS 24 1HE LYS 24 237.582 -5.315 1.878
209 HE3 LYS 24 2HE LYS 24 238.371 -3.883 2.542
210 HZ1 LYS 24 1HZ LYS 24 239.152 -5.293 0.048
211 HZ2 LYS 24 2HZ LYS 24 239.920 -3.930 0.687
212 HZ3 LYS 24 3HZ LYS 24 238.326 -3.820 0.136
213 H LYS 25 H LYS 25 243.146 -8.029 4.892
214 HA LYS 25 HA LYS 25 242.907 -9.384 7.341
215 HB2 LYS 25 1HB LYS 25 243.858 -10.340 5.255
216 HB3 LYS 25 2HB LYS 25 245.278 -9.330 5.469
217 HG2 LYS 25 1HG LYS 25 245.752 -11.563 6.211
218 HG3 LYS 25 2HG LYS 25 245.737 -10.474 7.600
219 HD2 LYS 25 1HD LYS 25 243.525 -11.219 8.214
220 HD3 LYS 25 2HD LYS 25 243.419 -12.209 6.758
221 HE2 LYS 25 1HE LYS 25 245.391 -12.584 9.011
222 HE3 LYS 25 2HE LYS 25 243.946 -13.558 8.734
223 HZ1 LYS 25 1HZ LYS 25 246.272 -13.329 6.905
224 HZ2 LYS 25 2HZ LYS 25 244.877 -14.233 6.599
225 HZ3 LYS 25 3HZ LYS 25 245.896 -14.659 7.875
226 H CYS 26 H CYS 26 245.060 -6.781 6.309
227 HA CYS 26 HA CYS 26 246.221 -6.791 9.020
228 HB2 CYS 26 1HB CYS 26 248.313 -5.982 8.013
229 HB3 CYS 26 2HB CYS 26 247.833 -7.540 7.341
230 H LYS 27 H LYS 27 244.378 -5.063 6.839
231 HA LYS 27 HA LYS 27 243.509 -2.987 6.792
232 HB2 LYS 27 1HB LYS 27 244.786 -2.759 9.515
233 HB3 LYS 27 2HB LYS 27 243.756 -1.519 8.811
234 HG2 LYS 27 1HG LYS 27 241.926 -3.182 8.668
235 HG3 LYS 27 2HG LYS 27 242.965 -4.345 9.496
236 HD2 LYS 27 1HD LYS 27 243.112 -2.846 11.421
237 HD3 LYS 27 2HD LYS 27 242.089 -1.673 10.591
238 HE2 LYS 27 1HE LYS 27 240.268 -3.314 10.536
239 HE3 LYS 27 2HE LYS 27 241.291 -4.471 11.388
240 HZ1 LYS 27 1HZ LYS 27 239.797 -3.352 12.906
241 HZ2 LYS 27 2HZ LYS 27 240.395 -1.844 12.440
242 HZ3 LYS 27 3HZ LYS 27 241.396 -2.934 13.254
243 H LYS 28 H LYS 28 246.160 -3.546 5.698
244 HA LYS 28 HA LYS 28 247.331 -0.858 5.757
245 HB2 LYS 28 1HB LYS 28 248.329 -3.344 4.344
246 HB3 LYS 28 2HB LYS 28 249.171 -1.808 4.448
247 HG2 LYS 28 1HG LYS 28 248.531 -3.619 6.766
248 HG3 LYS 28 2HG LYS 28 250.100 -3.459 5.978
249 HD2 LYS 28 1HD LYS 28 250.068 -1.035 6.607
250 HD3 LYS 28 2HD LYS 28 248.616 -1.362 7.554
251 HE2 LYS 28 1HE LYS 28 250.586 -1.403 8.976
252 HE3 LYS 28 2HE LYS 28 249.856 -3.005 8.881
253 HZ1 LYS 28 1HZ LYS 28 251.529 -3.609 7.222
254 HZ2 LYS 28 2HZ LYS 28 252.245 -3.147 8.682
255 HZ3 LYS 28 3HZ LYS 28 252.242 -2.083 7.372
256 H VAL 29 H VAL 29 247.578 0.328 3.797
257 HA VAL 29 HA VAL 29 245.447 -0.334 1.888
258 HB VAL 29 HB VAL 29 245.438 2.073 1.315
259 HG11 VAL 29 1HG1 VAL 29 243.865 1.197 2.944
260 HG12 VAL 29 2HG1 VAL 29 244.364 2.831 3.385
261 HG13 VAL 29 3HG1 VAL 29 245.042 1.442 4.234
262 HG21 VAL 29 1HG2 VAL 29 247.737 2.616 1.929
263 HG22 VAL 29 2HG2 VAL 29 247.358 2.329 3.627
264 HG23 VAL 29 3HG2 VAL 29 246.594 3.666 2.764
265 H ILE 30 H ILE 30 245.790 -0.060 -0.351
266 HA ILE 30 HA ILE 30 248.605 0.026 -1.180
267 HB ILE 30 HB ILE 30 248.088 -2.011 -2.647
268 HG12 ILE 30 1HG1 ILE 30 245.820 -2.144 -0.651
269 HG13 ILE 30 2HG1 ILE 30 245.706 -2.151 -2.405
270 HG21 ILE 30 1HG2 ILE 30 249.632 -2.056 -0.756
271 HG22 ILE 30 2HG2 ILE 30 248.719 -3.563 -0.862
272 HG23 ILE 30 3HG2 ILE 30 248.286 -2.351 0.346
273 HD11 ILE 30 1HD1 ILE 30 246.825 -4.360 -2.406
274 HD12 ILE 30 2HD1 ILE 30 245.268 -4.346 -1.582
275 HD13 ILE 30 3HD1 ILE 30 246.762 -4.344 -0.646
276 H CYS 31 H CYS 31 248.950 0.475 -3.381
277 HA CYS 31 HA CYS 31 246.815 2.046 -4.580
278 HB2 CYS 31 1HB CYS 31 248.510 2.967 -6.032
279 HB3 CYS 31 2HB CYS 31 249.149 2.957 -4.395
280 H ARG 32 H ARG 32 246.685 1.916 -7.077
281 HA ARG 32 HA ARG 32 245.793 -0.627 -7.816
282 HB2 ARG 32 1HB ARG 32 246.527 1.785 -9.459
283 HB3 ARG 32 2HB ARG 32 245.914 0.311 -10.190
284 HG2 ARG 32 1HG ARG 32 244.462 1.904 -8.091
285 HG3 ARG 32 2HG ARG 32 244.182 2.033 -9.828
286 HD2 ARG 32 1HD ARG 32 243.795 -0.427 -8.122
287 HD3 ARG 32 2HD ARG 32 242.525 0.580 -8.810
288 HE ARG 32 HE ARG 32 243.885 -0.184 -11.000
289 HH11 ARG 32 1HH1 ARG 32 242.627 -1.991 -8.278
290 HH12 ARG 32 2HH1 ARG 32 242.345 -3.431 -9.205
291 HH21 ARG 32 1HH2 ARG 32 243.504 -2.088 -12.225
292 HH22 ARG 32 2HH2 ARG 32 242.838 -3.486 -11.438
293 H GLU 33 H GLU 33 248.956 0.753 -7.951
294 HA GLU 33 HA GLU 33 249.969 -1.200 -9.822
295 HB2 GLU 33 1HB GLU 33 251.405 0.853 -8.133
296 HB3 GLU 33 2HB GLU 33 252.154 -0.136 -9.379
297 HG2 GLU 33 1HG GLU 33 249.921 1.820 -9.869
298 HG3 GLU 33 2HG GLU 33 251.631 2.172 -10.101
299 H HIS 34 H HIS 34 249.251 -1.184 -6.546
300 HA HIS 34 HA HIS 34 251.128 -3.398 -6.052
301 HB2 HIS 34 1HB HIS 34 250.571 -1.042 -4.250
302 HB3 HIS 34 2HB HIS 34 251.257 -2.543 -3.649
303 HD2 HIS 34 HD2 HIS 34 253.394 -2.914 -6.189
304 HE1 HIS 34 HE1 HIS 34 254.938 0.694 -4.599
305 HE2 HIS 34 HE2 HIS 34 255.488 -1.407 -5.921
306 H ASN 35 H ASN 35 248.143 -3.199 -6.671
307 HA ASN 35 HA ASN 35 247.262 -4.518 -4.205
308 HB2 ASN 35 1HB ASN 35 244.931 -3.858 -4.736
309 HB3 ASN 35 2HB ASN 35 245.995 -2.507 -4.400
310 HD21 ASN 35 1HD2 ASN 35 246.024 -4.124 -7.524
311 HD22 ASN 35 2HD2 ASN 35 245.292 -2.821 -8.391
312 H ILE 36 H ILE 36 246.411 -6.449 -4.223
313 HA ILE 36 HA ILE 36 245.357 -7.514 -6.758
314 HB ILE 36 HB ILE 36 245.944 -9.792 -5.978
315 HG12 ILE 36 1HG1 ILE 36 247.450 -8.349 -3.782
316 HG13 ILE 36 2HG1 ILE 36 246.002 -9.323 -3.560
317 HG21 ILE 36 1HG2 ILE 36 248.294 -7.913 -6.146
318 HG22 ILE 36 2HG2 ILE 36 247.442 -8.642 -7.508
319 HG23 ILE 36 3HG2 ILE 36 248.357 -9.658 -6.392
320 HD11 ILE 36 1HD1 ILE 36 247.999 -10.534 -2.905
321 HD12 ILE 36 2HD1 ILE 36 248.669 -10.327 -4.523
322 HD13 ILE 36 3HD1 ILE 36 247.220 -11.304 -4.287
323 H ASP 37 H ASP 37 243.963 -5.940 -4.952
324 HA ASP 37 HA ASP 37 242.261 -5.749 -3.466
325 HB2 ASP 37 1HB ASP 37 241.647 -8.465 -4.617
326 HB3 ASP 37 2HB ASP 37 240.621 -7.721 -3.393
327 H MET 38 H MET 38 244.800 -6.781 -2.669
328 HA MET 38 HA MET 38 244.444 -7.377 0.026
329 HB2 MET 38 1HB MET 38 243.649 -9.576 -0.920
330 HB3 MET 38 2HB MET 38 245.224 -9.777 -1.669
331 HG2 MET 38 1HG MET 38 246.288 -9.901 0.483
332 HG3 MET 38 2HG MET 38 244.765 -9.543 1.296
333 HE1 MET 38 1HE MET 38 242.656 -12.747 0.579
334 HE2 MET 38 2HE MET 38 242.698 -11.323 -0.459
335 HE3 MET 38 3HE MET 38 242.683 -11.136 1.293
336 H CYS 39 H CYS 39 246.650 -7.673 1.010
337 HA CYS 39 HA CYS 39 248.634 -6.561 -0.829
338 HB2 CYS 39 1HB CYS 39 249.650 -5.521 0.943
339 HB3 CYS 39 2HB CYS 39 248.014 -5.623 1.584
340 H GLN 40 H GLN 40 250.708 -7.391 -0.957
341 HA GLN 40 HA GLN 40 250.741 -10.122 -1.473
342 HB2 GLN 40 1HB GLN 40 252.156 -8.305 -2.511
343 HB3 GLN 40 2HB GLN 40 253.170 -8.379 -1.078
344 HG2 GLN 40 1HG GLN 40 254.189 -9.670 -2.798
345 HG3 GLN 40 2HG GLN 40 253.590 -10.764 -1.554
346 HE21 GLN 40 1HE2 GLN 40 251.544 -9.196 -3.929
347 HE22 GLN 40 2HE2 GLN 40 251.126 -10.637 -4.790
348 H SER 41 H SER 41 251.599 -8.409 1.428
349 HA SER 41 HA SER 41 253.232 -10.435 2.566
350 HB2 SER 41 1HB SER 41 253.291 -8.070 3.287
351 HB3 SER 41 2HB SER 41 251.679 -8.252 3.969
352 HG SER 41 HG SER 41 252.598 -9.011 5.684
353 H CYS 42 H CYS 42 249.802 -9.985 2.344
354 HA CYS 42 HA CYS 42 249.345 -12.121 4.311
355 HB2 CYS 42 1HB CYS 42 247.341 -10.293 2.967
356 HB3 CYS 42 2HB CYS 42 246.972 -11.488 4.203
357 H PHE 43 H PHE 43 250.181 -12.039 1.271
358 HA PHE 43 HA PHE 43 248.130 -13.849 0.238
359 HB2 PHE 43 1HB PHE 43 248.810 -11.908 -1.158
360 HB3 PHE 43 2HB PHE 43 250.449 -12.548 -1.209
361 HD1 PHE 43 HD1 PHE 43 251.067 -13.962 -2.931
362 HD2 PHE 43 HD2 PHE 43 246.942 -13.472 -2.015
363 HE1 PHE 43 HE1 PHE 43 250.473 -15.308 -4.902
364 HE2 PHE 43 HE2 PHE 43 246.341 -14.815 -3.982
365 HZ PHE 43 HZ PHE 43 248.107 -15.735 -5.427
Start of MODEL 3
1 H1 VAL 1 1H VAL 1 250.835 9.131 13.392
2 H2 VAL 1 2H VAL 1 250.924 9.413 15.054
3 H3 VAL 1 3H VAL 1 251.929 10.269 13.997
4 HA VAL 1 HA VAL 1 248.979 10.461 14.125
5 HB VAL 1 HB VAL 1 251.044 12.555 14.843
6 HG11 VAL 1 1HG1 VAL 1 249.141 13.781 15.766
7 HG12 VAL 1 2HG1 VAL 1 248.053 12.497 15.240
8 HG13 VAL 1 3HG1 VAL 1 248.920 13.461 14.045
9 HG21 VAL 1 1HG2 VAL 1 250.399 12.190 17.180
10 HG22 VAL 1 2HG2 VAL 1 251.118 10.743 16.472
11 HG23 VAL 1 3HG2 VAL 1 249.370 10.847 16.684
12 H MET 2 H MET 2 248.963 10.020 11.844
13 HA MET 2 HA MET 2 249.097 12.382 10.260
14 HB2 MET 2 1HB MET 2 251.478 11.822 10.187
15 HB3 MET 2 2HB MET 2 251.098 10.183 9.680
16 HG2 MET 2 1HG MET 2 251.888 11.635 7.847
17 HG3 MET 2 2HG MET 2 250.289 10.952 7.566
18 HE1 MET 2 1HE MET 2 251.139 13.963 9.980
19 HE2 MET 2 2HE MET 2 251.001 15.327 8.870
20 HE3 MET 2 3HE MET 2 252.291 14.145 8.657
21 H LYS 3 H LYS 3 247.984 12.136 8.299
22 HA LYS 3 HA LYS 3 246.416 9.688 8.086
23 HB2 LYS 3 1HB LYS 3 246.196 12.354 6.675
24 HB3 LYS 3 2HB LYS 3 245.197 10.969 6.275
25 HG2 LYS 3 1HG LYS 3 243.872 12.277 7.679
26 HG3 LYS 3 2HG LYS 3 244.475 10.985 8.717
27 HD2 LYS 3 1HD LYS 3 246.188 12.469 9.599
28 HD3 LYS 3 2HD LYS 3 245.645 13.760 8.526
29 HE2 LYS 3 1HE LYS 3 243.425 13.672 9.640
30 HE3 LYS 3 2HE LYS 3 244.082 12.492 10.772
31 HZ1 LYS 3 1HZ LYS 3 244.140 14.697 11.713
32 HZ2 LYS 3 2HZ LYS 3 245.036 15.277 10.403
33 HZ3 LYS 3 3HZ LYS 3 245.718 14.149 11.460
34 H LYS 4 H LYS 4 247.987 8.273 7.343
35 HA LYS 4 HA LYS 4 249.163 8.926 4.737
36 HB2 LYS 4 1HB LYS 4 250.944 7.337 5.232
37 HB3 LYS 4 2HB LYS 4 250.841 8.576 6.470
38 HG2 LYS 4 1HG LYS 4 249.469 5.954 6.868
39 HG3 LYS 4 2HG LYS 4 251.204 6.100 7.136
40 HD2 LYS 4 1HD LYS 4 250.789 7.917 8.738
41 HD3 LYS 4 2HD LYS 4 249.055 7.733 8.484
42 HE2 LYS 4 1HE LYS 4 250.897 5.598 9.555
43 HE3 LYS 4 2HE LYS 4 249.840 6.611 10.533
44 HZ1 LYS 4 1HZ LYS 4 248.887 4.420 10.070
45 HZ2 LYS 4 2HZ LYS 4 248.916 4.749 8.415
46 HZ3 LYS 4 3HZ LYS 4 247.931 5.664 9.439
47 H ARG 5 H ARG 5 246.645 7.257 5.923
48 HA ARG 5 HA ARG 5 246.930 4.789 4.510
49 HB2 ARG 5 1HB ARG 5 244.577 6.157 5.781
50 HB3 ARG 5 2HB ARG 5 244.373 4.698 4.823
51 HG2 ARG 5 1HG ARG 5 246.012 3.574 6.327
52 HG3 ARG 5 2HG ARG 5 245.980 5.016 7.342
53 HD2 ARG 5 1HD ARG 5 243.615 4.729 7.739
54 HD3 ARG 5 2HD ARG 5 243.565 3.367 6.621
55 HE ARG 5 HE ARG 5 245.332 3.165 8.937
56 HH11 ARG 5 1HH1 ARG 5 242.335 2.240 7.374
57 HH12 ARG 5 2HH1 ARG 5 242.076 0.870 8.406
58 HH21 ARG 5 1HH2 ARG 5 245.006 1.349 10.278
59 HH22 ARG 5 2HH2 ARG 5 243.599 0.360 10.056
60 H THR 6 H THR 6 246.206 7.950 3.578
61 HA THR 6 HA THR 6 244.697 7.480 1.246
62 HB THR 6 HB THR 6 246.718 9.678 1.735
63 HG1 THR 6 HG1 THR 6 243.932 9.536 2.362
64 HG21 THR 6 1HG2 THR 6 246.006 9.533 -0.588
65 HG22 THR 6 2HG2 THR 6 245.323 10.968 0.175
66 HG23 THR 6 3HG2 THR 6 244.315 9.545 -0.090
67 H TYR 7 H TYR 7 248.041 7.027 2.017
68 HA TYR 7 HA TYR 7 248.702 6.686 -0.826
69 HB2 TYR 7 1HB TYR 7 250.535 7.222 1.519
70 HB3 TYR 7 2HB TYR 7 251.054 7.007 -0.149
71 HD1 TYR 7 HD1 TYR 7 249.785 8.619 -1.865
72 HD2 TYR 7 HD2 TYR 7 250.313 9.379 2.288
73 HE1 TYR 7 HE1 TYR 7 249.509 11.024 -2.275
74 HE2 TYR 7 HE2 TYR 7 250.032 11.787 1.890
75 HH TYR 7 HH TYR 7 248.811 13.061 -0.961
76 H CYS 8 H CYS 8 249.643 4.860 -1.538
77 HA CYS 8 HA CYS 8 249.074 2.423 -0.309
78 HB2 CYS 8 1HB CYS 8 249.338 2.426 -2.632
79 HB3 CYS 8 2HB CYS 8 250.872 3.271 -2.556
80 H THR 9 H THR 9 250.020 1.268 1.205
81 HA THR 9 HA THR 9 252.169 2.240 2.734
82 HB THR 9 HB THR 9 251.029 -0.560 2.662
83 HG1 THR 9 HG1 THR 9 250.311 1.586 4.389
84 HG21 THR 9 1HG2 THR 9 253.116 -0.482 3.891
85 HG22 THR 9 2HG2 THR 9 251.770 -0.641 5.020
86 HG23 THR 9 3HG2 THR 9 252.557 0.921 4.802
87 H TYR 10 H TYR 10 252.032 0.067 0.013
88 HA TYR 10 HA TYR 10 254.736 -0.873 0.344
89 HB2 TYR 10 1HB TYR 10 252.621 -1.235 -1.752
90 HB3 TYR 10 2HB TYR 10 254.286 -1.688 -2.096
91 HD1 TYR 10 HD1 TYR 10 254.655 -3.941 -1.919
92 HD2 TYR 10 HD2 TYR 10 251.961 -2.107 0.815
93 HE1 TYR 10 HE1 TYR 10 254.325 -6.105 -0.800
94 HE2 TYR 10 HE2 TYR 10 251.622 -4.262 1.940
95 HH TYR 10 HH TYR 10 253.635 -6.959 1.381
96 H CYS 11 H CYS 11 253.213 1.860 -0.989
97 HA CYS 11 HA CYS 11 255.502 2.543 -2.674
98 HB2 CYS 11 1HB CYS 11 252.743 3.666 -2.342
99 HB3 CYS 11 2HB CYS 11 254.008 4.663 -3.040
100 HA PRO 12 HA PRO 12 257.159 5.285 0.475
101 HB2 PRO 12 1HB PRO 12 258.334 6.802 -1.746
102 HB3 PRO 12 2HB PRO 12 259.142 5.932 -0.442
103 HG2 PRO 12 1HG PRO 12 259.171 5.065 -3.003
104 HG3 PRO 12 2HG PRO 12 259.210 3.960 -1.617
105 HD2 PRO 12 1HD PRO 12 256.928 4.683 -3.406
106 HD3 PRO 12 2HD PRO 12 257.346 3.117 -2.678
107 H SER 13 H SER 13 256.346 7.104 1.348
108 HA SER 13 HA SER 13 254.003 8.245 0.350
109 HB2 SER 13 1HB SER 13 255.867 9.468 2.393
110 HB3 SER 13 2HB SER 13 254.138 9.767 2.218
111 HG SER 13 HG SER 13 254.125 7.279 2.508
112 H LYS 14 H LYS 14 257.333 9.138 -0.132
113 HA LYS 14 HA LYS 14 256.827 11.798 -1.029
114 HB2 LYS 14 1HB LYS 14 259.216 10.024 -1.557
115 HB3 LYS 14 2HB LYS 14 259.146 11.759 -1.824
116 HG2 LYS 14 1HG LYS 14 258.925 10.368 0.835
117 HG3 LYS 14 2HG LYS 14 260.328 11.246 0.228
118 HD2 LYS 14 1HD LYS 14 259.026 13.308 0.185
119 HD3 LYS 14 2HD LYS 14 257.603 12.432 0.753
120 HE2 LYS 14 1HE LYS 14 258.809 11.852 2.817
121 HE3 LYS 14 2HE LYS 14 260.198 12.779 2.251
122 HZ1 LYS 14 1HZ LYS 14 258.814 14.041 3.794
123 HZ2 LYS 14 2HZ LYS 14 257.492 13.888 2.753
124 HZ3 LYS 14 3HZ LYS 14 258.848 14.767 2.267
125 H ILE 15 H ILE 15 256.386 8.744 -2.450
126 HA ILE 15 HA ILE 15 256.586 9.671 -5.185
127 HB ILE 15 HB ILE 15 255.433 7.097 -4.090
128 HG12 ILE 15 1HG1 ILE 15 257.799 7.281 -3.582
129 HG13 ILE 15 2HG1 ILE 15 257.563 6.090 -4.855
130 HG21 ILE 15 1HG2 ILE 15 256.209 7.779 -6.921
131 HG22 ILE 15 2HG2 ILE 15 254.559 7.650 -6.314
132 HG23 ILE 15 3HG2 ILE 15 255.599 6.226 -6.347
133 HD11 ILE 15 1HD1 ILE 15 259.491 7.440 -5.333
134 HD12 ILE 15 2HD1 ILE 15 258.536 8.914 -5.196
135 HD13 ILE 15 3HD1 ILE 15 258.225 7.784 -6.512
136 H ARG 16 H ARG 16 254.285 9.561 -2.681
137 HA ARG 16 HA ARG 16 252.144 10.252 -2.447
138 HB2 ARG 16 1HB ARG 16 252.731 11.707 -5.031
139 HB3 ARG 16 2HB ARG 16 251.333 12.003 -4.007
140 HG2 ARG 16 1HG ARG 16 254.189 12.340 -3.121
141 HG3 ARG 16 2HG ARG 16 253.164 13.645 -3.718
142 HD2 ARG 16 1HD ARG 16 251.632 13.348 -1.888
143 HD3 ARG 16 2HD ARG 16 252.499 11.915 -1.340
144 HE ARG 16 HE ARG 16 254.408 13.790 -1.237
145 HH11 ARG 16 1HH1 ARG 16 251.111 13.771 -0.041
146 HH12 ARG 16 2HH1 ARG 16 251.468 14.811 1.303
147 HH21 ARG 16 1HH2 ARG 16 254.874 15.129 0.541
148 HH22 ARG 16 2HH2 ARG 16 253.606 15.580 1.635
149 H ARG 17 H ARG 17 252.567 7.745 -3.727
150 HA ARG 17 HA ARG 17 250.612 7.576 -5.857
151 HB2 ARG 17 1HB ARG 17 252.750 6.222 -5.801
152 HB3 ARG 17 2HB ARG 17 252.054 5.311 -4.470
153 HG2 ARG 17 1HG ARG 17 251.759 4.056 -6.474
154 HG3 ARG 17 2HG ARG 17 250.181 4.658 -5.966
155 HD2 ARG 17 1HD ARG 17 251.857 6.125 -7.985
156 HD3 ARG 17 2HD ARG 17 250.784 4.810 -8.457
157 HE ARG 17 HE ARG 17 249.018 6.253 -7.259
158 HH11 ARG 17 1HH1 ARG 17 251.710 7.493 -9.131
159 HH12 ARG 17 2HH1 ARG 17 250.877 8.939 -9.597
160 HH21 ARG 17 1HH2 ARG 17 247.920 8.147 -7.893
161 HH22 ARG 17 2HH2 ARG 17 248.727 9.317 -8.888
162 H LYS 18 H LYS 18 248.588 7.805 -5.201
163 HA LYS 18 HA LYS 18 247.638 7.219 -2.624
164 HB2 LYS 18 1HB LYS 18 246.341 7.938 -5.216
165 HB3 LYS 18 2HB LYS 18 245.336 7.349 -3.902
166 HG2 LYS 18 1HG LYS 18 245.346 9.740 -3.856
167 HG3 LYS 18 2HG LYS 18 246.242 9.145 -2.462
168 HD2 LYS 18 1HD LYS 18 247.484 10.957 -3.339
169 HD3 LYS 18 2HD LYS 18 248.342 9.490 -3.805
170 HE2 LYS 18 1HE LYS 18 248.301 10.970 -5.683
171 HE3 LYS 18 2HE LYS 18 247.225 9.616 -6.023
172 HZ1 LYS 18 1HZ LYS 18 246.375 12.294 -5.070
173 HZ2 LYS 18 2HZ LYS 18 245.345 11.001 -5.423
174 HZ3 LYS 18 3HZ LYS 18 246.240 11.729 -6.657
175 H ALA 19 H ALA 19 246.374 5.609 -1.830
176 HA ALA 19 HA ALA 19 246.686 3.035 -3.172
177 HB1 ALA 19 1HB ALA 19 246.257 2.048 -1.041
178 HB2 ALA 19 2HB ALA 19 245.714 3.590 -0.380
179 HB3 ALA 19 3HB ALA 19 247.407 3.364 -0.810
180 H ASN 20 H ASN 20 245.056 2.811 -4.637
181 HA ASN 20 HA ASN 20 242.344 3.535 -3.941
182 HB2 ASN 20 1HB ASN 20 243.508 2.274 -6.430
183 HB3 ASN 20 2HB ASN 20 241.797 2.634 -6.224
184 HD21 ASN 20 1HD2 ASN 20 243.703 3.688 -8.168
185 HD22 ASN 20 2HD2 ASN 20 243.683 5.404 -7.964
186 H ALA 21 H ALA 21 244.227 1.021 -3.139
187 HA ALA 21 HA ALA 21 241.898 -0.722 -2.768
188 HB1 ALA 21 1HB ALA 21 243.141 -1.702 -4.590
189 HB2 ALA 21 2HB ALA 21 243.364 -2.693 -3.148
190 HB3 ALA 21 3HB ALA 21 244.641 -1.597 -3.672
191 H SER 22 H SER 22 242.304 -2.327 -0.992
192 HA SER 22 HA SER 22 244.308 -1.513 0.937
193 HB2 SER 22 1HB SER 22 242.519 -1.341 2.736
194 HB3 SER 22 2HB SER 22 242.585 -0.011 1.582
195 HG SER 22 HG SER 22 240.922 -2.123 0.895
196 H CYS 23 H CYS 23 245.150 -3.238 1.874
197 HA CYS 23 HA CYS 23 244.054 -5.838 1.389
198 HB2 CYS 23 1HB CYS 23 246.509 -5.369 1.498
199 HB3 CYS 23 2HB CYS 23 246.330 -5.056 3.222
200 H LYS 24 H LYS 24 242.221 -6.270 2.419
201 HA LYS 24 HA LYS 24 241.508 -5.144 4.923
202 HB2 LYS 24 1HB LYS 24 240.287 -7.318 3.234
203 HB3 LYS 24 2HB LYS 24 239.563 -6.748 4.732
204 HG2 LYS 24 1HG LYS 24 239.043 -4.678 3.852
205 HG3 LYS 24 2HG LYS 24 240.265 -4.795 2.586
206 HD2 LYS 24 1HD LYS 24 237.892 -6.629 2.669
207 HD3 LYS 24 2HD LYS 24 237.815 -5.045 1.897
208 HE2 LYS 24 1HE LYS 24 239.786 -7.223 1.211
209 HE3 LYS 24 2HE LYS 24 238.320 -6.860 0.304
210 HZ1 LYS 24 1HZ LYS 24 239.206 -4.620 -0.097
211 HZ2 LYS 24 2HZ LYS 24 240.199 -5.827 -0.749
212 HZ3 LYS 24 3HZ LYS 24 240.645 -5.046 0.688
213 H LYS 25 H LYS 25 243.407 -7.820 4.112
214 HA LYS 25 HA LYS 25 242.758 -9.494 6.321
215 HB2 LYS 25 1HB LYS 25 243.841 -10.242 4.171
216 HB3 LYS 25 2HB LYS 25 245.324 -9.487 4.735
217 HG2 LYS 25 1HG LYS 25 245.379 -11.866 5.153
218 HG3 LYS 25 2HG LYS 25 245.337 -10.981 6.680
219 HD2 LYS 25 1HD LYS 25 242.964 -11.427 6.907
220 HD3 LYS 25 2HD LYS 25 242.937 -12.222 5.334
221 HE2 LYS 25 1HE LYS 25 244.425 -13.954 6.163
222 HE3 LYS 25 2HE LYS 25 244.533 -13.140 7.722
223 HZ1 LYS 25 1HZ LYS 25 242.092 -14.331 6.527
224 HZ2 LYS 25 2HZ LYS 25 242.132 -13.472 7.980
225 HZ3 LYS 25 3HZ LYS 25 242.962 -14.934 7.844
226 H CYS 26 H CYS 26 245.071 -6.890 5.805
227 HA CYS 26 HA CYS 26 245.848 -7.168 8.632
228 HB2 CYS 26 1HB CYS 26 248.113 -6.439 8.062
229 HB3 CYS 26 2HB CYS 26 247.686 -7.913 7.200
230 H LYS 27 H LYS 27 244.378 -5.241 6.391
231 HA LYS 27 HA LYS 27 243.515 -3.162 6.457
232 HB2 LYS 27 1HB LYS 27 244.491 -3.359 9.283
233 HB3 LYS 27 2HB LYS 27 243.881 -1.829 8.669
234 HG2 LYS 27 1HG LYS 27 242.113 -2.978 9.811
235 HG3 LYS 27 2HG LYS 27 241.756 -2.951 8.086
236 HD2 LYS 27 1HD LYS 27 242.568 -5.254 7.888
237 HD3 LYS 27 2HD LYS 27 242.918 -5.277 9.617
238 HE2 LYS 27 1HE LYS 27 240.541 -4.894 10.088
239 HE3 LYS 27 2HE LYS 27 240.203 -4.904 8.358
240 HZ1 LYS 27 1HZ LYS 27 239.717 -7.040 9.374
241 HZ2 LYS 27 2HZ LYS 27 241.313 -7.178 9.911
242 HZ3 LYS 27 3HZ LYS 27 240.977 -7.187 8.252
243 H LYS 28 H LYS 28 246.089 -3.622 5.358
244 HA LYS 28 HA LYS 28 247.258 -0.944 5.687
245 HB2 LYS 28 1HB LYS 28 248.510 -3.473 4.600
246 HB3 LYS 28 2HB LYS 28 249.277 -1.891 4.557
247 HG2 LYS 28 1HG LYS 28 249.192 -1.808 7.014
248 HG3 LYS 28 2HG LYS 28 248.494 -3.429 7.024
249 HD2 LYS 28 1HD LYS 28 250.495 -4.297 5.921
250 HD3 LYS 28 2HD LYS 28 251.190 -2.676 5.899
251 HE2 LYS 28 1HE LYS 28 252.129 -3.905 7.741
252 HE3 LYS 28 2HE LYS 28 251.076 -2.640 8.372
253 HZ1 LYS 28 1HZ LYS 28 249.325 -4.344 8.602
254 HZ2 LYS 28 2HZ LYS 28 250.677 -4.650 9.564
255 HZ3 LYS 28 3HZ LYS 28 250.441 -5.531 8.141
256 H VAL 29 H VAL 29 247.345 0.395 3.958
257 HA VAL 29 HA VAL 29 245.554 -0.301 1.797
258 HB VAL 29 HB VAL 29 245.812 2.085 1.130
259 HG11 VAL 29 1HG1 VAL 29 244.008 1.375 2.606
260 HG12 VAL 29 2HG1 VAL 29 244.570 2.991 3.032
261 HG13 VAL 29 3HG1 VAL 29 245.053 1.603 4.008
262 HG21 VAL 29 1HG2 VAL 29 246.959 3.631 2.591
263 HG22 VAL 29 2HG2 VAL 29 248.090 2.402 2.026
264 HG23 VAL 29 3HG2 VAL 29 247.434 2.312 3.661
265 H ILE 30 H ILE 30 246.062 -0.233 -0.402
266 HA ILE 30 HA ILE 30 248.911 -0.204 -1.088
267 HB ILE 30 HB ILE 30 248.491 -2.345 -2.436
268 HG12 ILE 30 1HG1 ILE 30 246.265 -2.607 -0.402
269 HG13 ILE 30 2HG1 ILE 30 246.028 -2.319 -2.119
270 HG21 ILE 30 1HG2 ILE 30 249.971 -2.252 -0.505
271 HG22 ILE 30 2HG2 ILE 30 249.075 -3.771 -0.529
272 HG23 ILE 30 3HG2 ILE 30 248.597 -2.483 0.577
273 HD11 ILE 30 1HD1 ILE 30 245.685 -4.663 -1.418
274 HD12 ILE 30 2HD1 ILE 30 247.396 -4.740 -0.988
275 HD13 ILE 30 3HD1 ILE 30 246.915 -4.460 -2.662
276 H CYS 31 H CYS 31 249.328 0.007 -3.326
277 HA CYS 31 HA CYS 31 247.111 1.138 -4.849
278 HB2 CYS 31 1HB CYS 31 248.752 2.028 -6.346
279 HB3 CYS 31 2HB CYS 31 249.382 2.291 -4.726
280 H ARG 32 H ARG 32 246.472 0.273 -6.844
281 HA ARG 32 HA ARG 32 246.601 -2.569 -6.955
282 HB2 ARG 32 1HB ARG 32 245.401 -0.542 -8.840
283 HB3 ARG 32 2HB ARG 32 245.237 -2.282 -9.041
284 HG2 ARG 32 1HG ARG 32 244.092 -2.451 -6.912
285 HG3 ARG 32 2HG ARG 32 244.309 -0.721 -6.640
286 HD2 ARG 32 1HD ARG 32 242.051 -1.263 -7.434
287 HD3 ARG 32 2HD ARG 32 242.917 -0.213 -8.553
288 HE ARG 32 HE ARG 32 243.411 -2.442 -9.754
289 HH11 ARG 32 1HH1 ARG 32 240.452 -1.702 -8.031
290 HH12 ARG 32 2HH1 ARG 32 239.463 -2.697 -9.047
291 HH21 ARG 32 1HH2 ARG 32 242.112 -3.749 -11.090
292 HH22 ARG 32 2HH2 ARG 32 240.407 -3.859 -10.793
293 H GLU 33 H GLU 33 248.738 -0.278 -7.959
294 HA GLU 33 HA GLU 33 249.783 -1.696 -10.244
295 HB2 GLU 33 1HB GLU 33 250.010 0.757 -10.034
296 HB3 GLU 33 2HB GLU 33 250.980 0.536 -8.586
297 HG2 GLU 33 1HG GLU 33 252.656 -0.667 -9.934
298 HG3 GLU 33 2HG GLU 33 251.697 -0.330 -11.374
299 H HIS 34 H HIS 34 250.138 -1.637 -6.813
300 HA HIS 34 HA HIS 34 252.521 -3.329 -6.894
301 HB2 HIS 34 1HB HIS 34 251.208 -1.649 -4.826
302 HB3 HIS 34 2HB HIS 34 251.957 -3.135 -4.251
303 HD2 HIS 34 HD2 HIS 34 254.557 -2.960 -6.309
304 HE1 HIS 34 HE1 HIS 34 255.340 0.525 -4.052
305 HE2 HIS 34 HE2 HIS 34 256.374 -1.348 -5.413
306 H ASN 35 H ASN 35 249.366 -3.334 -5.260
307 HA ASN 35 HA ASN 35 249.203 -6.229 -5.676
308 HB2 ASN 35 1HB ASN 35 248.871 -4.779 -3.049
309 HB3 ASN 35 2HB ASN 35 248.225 -6.391 -3.325
310 HD21 ASN 35 1HD2 ASN 35 250.507 -7.186 -4.990
311 HD22 ASN 35 2HD2 ASN 35 251.822 -7.431 -3.900
312 H ILE 36 H ILE 36 247.192 -6.962 -6.109
313 HA ILE 36 HA ILE 36 245.448 -5.039 -7.231
314 HB ILE 36 HB ILE 36 245.803 -7.227 -8.250
315 HG12 ILE 36 1HG1 ILE 36 243.415 -7.801 -8.712
316 HG13 ILE 36 2HG1 ILE 36 242.942 -6.703 -7.420
317 HG21 ILE 36 1HG2 ILE 36 246.008 -8.596 -6.272
318 HG22 ILE 36 2HG2 ILE 36 244.740 -9.237 -7.315
319 HG23 ILE 36 3HG2 ILE 36 244.314 -8.319 -5.871
320 HD11 ILE 36 1HD1 ILE 36 243.908 -4.835 -8.636
321 HD12 ILE 36 2HD1 ILE 36 242.708 -5.678 -9.616
322 HD13 ILE 36 3HD1 ILE 36 244.427 -5.928 -9.919
323 H ASP 37 H ASP 37 245.378 -6.758 -4.178
324 HA ASP 37 HA ASP 37 243.232 -5.147 -3.215
325 HB2 ASP 37 1HB ASP 37 241.862 -6.683 -4.501
326 HB3 ASP 37 2HB ASP 37 242.648 -8.065 -3.748
327 H MET 38 H MET 38 244.729 -8.333 -2.671
328 HA MET 38 HA MET 38 245.126 -7.560 0.128
329 HB2 MET 38 1HB MET 38 245.354 -10.245 -1.244
330 HB3 MET 38 2HB MET 38 245.790 -9.966 0.435
331 HG2 MET 38 1HG MET 38 243.056 -9.553 -0.753
332 HG3 MET 38 2HG MET 38 243.561 -10.942 0.208
333 HE1 MET 38 1HE MET 38 240.978 -9.207 0.896
334 HE2 MET 38 2HE MET 38 241.144 -9.080 2.647
335 HE3 MET 38 3HE MET 38 241.518 -10.598 1.835
336 H CYS 39 H CYS 39 247.167 -7.510 1.031
337 HA CYS 39 HA CYS 39 249.221 -6.747 -0.826
338 HB2 CYS 39 1HB CYS 39 250.374 -5.870 0.997
339 HB3 CYS 39 2HB CYS 39 248.703 -5.737 1.529
340 H GLN 40 H GLN 40 251.367 -7.632 -0.813
341 HA GLN 40 HA GLN 40 251.312 -10.407 -1.273
342 HB2 GLN 40 1HB GLN 40 252.795 -8.843 -2.465
343 HB3 GLN 40 2HB GLN 40 253.703 -8.583 -0.982
344 HG2 GLN 40 1HG GLN 40 254.368 -10.918 -0.962
345 HG3 GLN 40 2HG GLN 40 253.431 -11.208 -2.426
346 HE21 GLN 40 1HE2 GLN 40 254.171 -10.385 -4.385
347 HE22 GLN 40 2HE2 GLN 40 255.807 -9.872 -4.599
348 H SER 41 H SER 41 251.942 -8.605 1.591
349 HA SER 41 HA SER 41 253.517 -10.620 2.884
350 HB2 SER 41 1HB SER 41 253.640 -8.221 3.511
351 HB3 SER 41 2HB SER 41 251.990 -8.319 4.121
352 HG SER 41 HG SER 41 252.667 -9.736 5.702
353 H CYS 42 H CYS 42 250.206 -10.249 2.221
354 HA CYS 42 HA CYS 42 249.495 -12.208 4.294
355 HB2 CYS 42 1HB CYS 42 247.755 -10.385 2.621
356 HB3 CYS 42 2HB CYS 42 247.121 -11.637 3.681
357 H PHE 43 H PHE 43 247.243 -13.298 3.037
358 HA PHE 43 HA PHE 43 248.457 -15.331 1.530
359 HB2 PHE 43 1HB PHE 43 246.239 -16.253 1.243
360 HB3 PHE 43 2HB PHE 43 246.421 -15.670 2.889
361 HD1 PHE 43 HD1 PHE 43 245.414 -13.369 3.442
362 HD2 PHE 43 HD2 PHE 43 244.457 -15.584 -0.065
363 HE1 PHE 43 HE1 PHE 43 243.334 -12.079 3.195
364 HE2 PHE 43 HE2 PHE 43 242.380 -14.294 -0.318
365 HZ PHE 43 HZ PHE 43 241.816 -12.541 1.313
Start of MODEL 4
1 H1 VAL 1 1H VAL 1 242.373 13.770 12.843
2 H2 VAL 1 2H VAL 1 241.582 12.752 13.937
3 H3 VAL 1 3H VAL 1 241.413 12.501 12.274
4 HA VAL 1 HA VAL 1 243.921 12.232 13.818
5 HB VAL 1 HB VAL 1 243.747 9.814 13.240
6 HG11 VAL 1 1HG1 VAL 1 243.070 10.589 15.449
7 HG12 VAL 1 2HG1 VAL 1 242.053 9.249 14.920
8 HG13 VAL 1 3HG1 VAL 1 241.439 10.900 14.854
9 HG21 VAL 1 1HG2 VAL 1 242.247 10.008 11.316
10 HG22 VAL 1 2HG2 VAL 1 240.938 10.516 12.385
11 HG23 VAL 1 3HG2 VAL 1 241.605 8.889 12.519
12 H MET 2 H MET 2 245.760 11.810 12.619
13 HA MET 2 HA MET 2 245.649 12.661 9.877
14 HB2 MET 2 1HB MET 2 248.103 12.391 9.891
15 HB3 MET 2 2HB MET 2 247.531 13.390 11.215
16 HG2 MET 2 1HG MET 2 247.843 11.593 12.776
17 HG3 MET 2 2HG MET 2 248.256 10.483 11.472
18 HE1 MET 2 1HE MET 2 250.471 9.774 12.759
19 HE2 MET 2 2HE MET 2 250.051 10.874 14.071
20 HE3 MET 2 3HE MET 2 251.663 10.927 13.358
21 H LYS 3 H LYS 3 244.993 11.339 8.361
22 HA LYS 3 HA LYS 3 245.338 8.474 8.649
23 HB2 LYS 3 1HB LYS 3 243.955 10.092 6.501
24 HB3 LYS 3 2HB LYS 3 243.973 8.337 6.584
25 HG2 LYS 3 1HG LYS 3 242.827 10.129 8.716
26 HG3 LYS 3 2HG LYS 3 241.885 9.355 7.442
27 HD2 LYS 3 1HD LYS 3 243.612 7.815 9.365
28 HD3 LYS 3 2HD LYS 3 241.918 8.178 9.683
29 HE2 LYS 3 1HE LYS 3 242.933 6.696 7.259
30 HE3 LYS 3 2HE LYS 3 242.293 5.924 8.708
31 HZ1 LYS 3 1HZ LYS 3 240.193 7.102 8.323
32 HZ2 LYS 3 2HZ LYS 3 240.589 6.072 7.047
33 HZ3 LYS 3 3HZ LYS 3 240.810 7.738 6.883
34 H LYS 4 H LYS 4 247.644 8.618 8.546
35 HA LYS 4 HA LYS 4 249.007 9.478 6.217
36 HB2 LYS 4 1HB LYS 4 249.831 7.607 8.437
37 HB3 LYS 4 2HB LYS 4 250.913 8.135 7.157
38 HG2 LYS 4 1HG LYS 4 249.538 9.936 9.141
39 HG3 LYS 4 2HG LYS 4 251.227 9.425 9.205
40 HD2 LYS 4 1HD LYS 4 251.597 10.498 7.008
41 HD3 LYS 4 2HD LYS 4 249.927 11.069 7.032
42 HE2 LYS 4 1HE LYS 4 250.392 12.342 9.067
43 HE3 LYS 4 2HE LYS 4 252.058 11.767 9.046
44 HZ1 LYS 4 1HZ LYS 4 251.913 13.965 8.104
45 HZ2 LYS 4 2HZ LYS 4 250.767 13.454 6.973
46 HZ3 LYS 4 3HZ LYS 4 252.350 12.864 6.898
47 H ARG 5 H ARG 5 247.313 6.619 7.048
48 HA ARG 5 HA ARG 5 248.510 5.037 4.942
49 HB2 ARG 5 1HB ARG 5 246.182 4.470 6.783
50 HB3 ARG 5 2HB ARG 5 246.815 3.329 5.603
51 HG2 ARG 5 1HG ARG 5 249.013 3.447 6.747
52 HG3 ARG 5 2HG ARG 5 248.267 4.459 7.983
53 HD2 ARG 5 1HD ARG 5 246.693 2.641 8.496
54 HD3 ARG 5 2HD ARG 5 247.480 1.632 7.281
55 HE ARG 5 HE ARG 5 249.282 2.654 9.274
56 HH11 ARG 5 1HH1 ARG 5 247.075 0.054 8.476
57 HH12 ARG 5 2HH1 ARG 5 247.798 -1.062 9.595
58 HH21 ARG 5 1HH2 ARG 5 250.240 1.179 10.718
59 HH22 ARG 5 2HH2 ARG 5 249.598 -0.425 10.865
60 H THR 6 H THR 6 247.580 7.326 3.887
61 HA THR 6 HA THR 6 245.202 6.518 2.356
62 HB THR 6 HB THR 6 246.583 9.214 2.477
63 HG1 THR 6 HG1 THR 6 245.565 9.059 4.393
64 HG21 THR 6 1HG2 THR 6 244.590 10.061 1.341
65 HG22 THR 6 2HG2 THR 6 243.939 8.426 1.250
66 HG23 THR 6 3HG2 THR 6 245.405 8.841 0.362
67 H TYR 7 H TYR 7 248.551 6.746 2.331
68 HA TYR 7 HA TYR 7 248.705 6.607 -0.593
69 HB2 TYR 7 1HB TYR 7 250.728 7.394 1.501
70 HB3 TYR 7 2HB TYR 7 251.189 7.023 -0.159
71 HD1 TYR 7 HD1 TYR 7 250.644 8.507 -1.961
72 HD2 TYR 7 HD2 TYR 7 249.410 9.403 2.007
73 HE1 TYR 7 HE1 TYR 7 250.135 10.802 -2.647
74 HE2 TYR 7 HE2 TYR 7 248.888 11.708 1.327
75 HH TYR 7 HH TYR 7 249.556 13.301 -0.456
76 H CYS 8 H CYS 8 249.743 4.937 -1.571
77 HA CYS 8 HA CYS 8 249.337 2.413 -0.519
78 HB2 CYS 8 1HB CYS 8 249.470 2.702 -2.865
79 HB3 CYS 8 2HB CYS 8 251.089 3.378 -2.766
80 H THR 9 H THR 9 250.352 1.192 0.856
81 HA THR 9 HA THR 9 252.689 2.069 2.204
82 HB THR 9 HB THR 9 251.323 -0.624 2.327
83 HG1 THR 9 HG1 THR 9 250.658 1.899 3.277
84 HG21 THR 9 1HG2 THR 9 253.492 -0.692 3.385
85 HG22 THR 9 2HG2 THR 9 252.246 -0.657 4.634
86 HG23 THR 9 3HG2 THR 9 253.155 0.804 4.255
87 H TYR 10 H TYR 10 252.128 -0.120 -0.455
88 HA TYR 10 HA TYR 10 254.724 -1.344 -0.309
89 HB2 TYR 10 1HB TYR 10 252.488 -1.408 -2.306
90 HB3 TYR 10 2HB TYR 10 254.069 -2.061 -2.722
91 HD1 TYR 10 HD1 TYR 10 251.730 -2.233 0.201
92 HD2 TYR 10 HD2 TYR 10 254.256 -4.333 -2.501
93 HE1 TYR 10 HE1 TYR 10 251.149 -4.342 1.310
94 HE2 TYR 10 HE2 TYR 10 253.679 -6.455 -1.399
95 HH TYR 10 HH TYR 10 252.857 -7.111 1.008
96 H CYS 11 H CYS 11 253.422 1.537 -1.573
97 HA CYS 11 HA CYS 11 255.663 2.036 -3.352
98 HB2 CYS 11 1HB CYS 11 253.131 3.493 -2.678
99 HB3 CYS 11 2HB CYS 11 254.459 4.366 -3.429
100 HA PRO 12 HA PRO 12 258.115 4.055 -0.198
101 HB2 PRO 12 1HB PRO 12 259.192 5.667 -2.420
102 HB3 PRO 12 2HB PRO 12 260.036 4.590 -1.308
103 HG2 PRO 12 1HG PRO 12 259.637 3.948 -3.892
104 HG3 PRO 12 2HG PRO 12 259.650 2.729 -2.605
105 HD2 PRO 12 1HD PRO 12 257.338 3.929 -4.060
106 HD3 PRO 12 2HD PRO 12 257.572 2.267 -3.480
107 H SER 13 H SER 13 257.936 5.911 0.966
108 HA SER 13 HA SER 13 255.675 7.510 0.595
109 HB2 SER 13 1HB SER 13 258.085 8.108 2.319
110 HB3 SER 13 2HB SER 13 256.470 8.789 2.506
111 HG SER 13 HG SER 13 255.969 7.097 3.616
112 H LYS 14 H LYS 14 258.916 7.911 -0.581
113 HA LYS 14 HA LYS 14 258.690 10.704 -1.156
114 HB2 LYS 14 1HB LYS 14 260.583 8.599 -2.205
115 HB3 LYS 14 2HB LYS 14 260.706 10.310 -2.587
116 HG2 LYS 14 1HG LYS 14 260.893 9.120 0.170
117 HG3 LYS 14 2HG LYS 14 262.254 9.649 -0.819
118 HD2 LYS 14 1HD LYS 14 261.288 11.933 -0.837
119 HD3 LYS 14 2HD LYS 14 260.022 11.371 0.256
120 HE2 LYS 14 1HE LYS 14 261.801 12.501 1.481
121 HE3 LYS 14 2HE LYS 14 261.706 10.799 1.926
122 HZ1 LYS 14 1HZ LYS 14 263.581 10.335 0.513
123 HZ2 LYS 14 2HZ LYS 14 263.993 11.564 1.597
124 HZ3 LYS 14 3HZ LYS 14 263.643 11.941 -0.013
125 H ILE 15 H ILE 15 257.549 7.858 -2.662
126 HA ILE 15 HA ILE 15 257.305 9.011 -5.301
127 HB ILE 15 HB ILE 15 256.096 6.490 -4.146
128 HG12 ILE 15 1HG1 ILE 15 258.514 6.359 -4.188
129 HG13 ILE 15 2HG1 ILE 15 257.859 5.343 -5.467
130 HG21 ILE 15 1HG2 ILE 15 255.655 5.820 -6.443
131 HG22 ILE 15 2HG2 ILE 15 256.285 7.360 -7.025
132 HG23 ILE 15 3HG2 ILE 15 254.813 7.321 -6.056
133 HD11 ILE 15 1HD1 ILE 15 259.078 8.072 -5.794
134 HD12 ILE 15 2HD1 ILE 15 258.353 7.122 -7.090
135 HD13 ILE 15 3HD1 ILE 15 259.792 6.529 -6.261
136 H ARG 16 H ARG 16 255.358 8.608 -2.429
137 HA ARG 16 HA ARG 16 253.296 9.360 -1.825
138 HB2 ARG 16 1HB ARG 16 254.067 11.485 -3.825
139 HB3 ARG 16 2HB ARG 16 252.651 11.597 -2.788
140 HG2 ARG 16 1HG ARG 16 254.004 11.618 -0.822
141 HG3 ARG 16 2HG ARG 16 255.457 11.268 -1.759
142 HD2 ARG 16 1HD ARG 16 255.261 13.411 -2.890
143 HD3 ARG 16 2HD ARG 16 253.774 13.756 -2.008
144 HE ARG 16 HE ARG 16 255.354 13.481 0.035
145 HH11 ARG 16 1HH1 ARG 16 256.172 14.943 -3.036
146 HH12 ARG 16 2HH1 ARG 16 257.330 16.036 -2.354
147 HH21 ARG 16 1HH2 ARG 16 256.869 14.934 0.943
148 HH22 ARG 16 2HH2 ARG 16 257.714 16.043 -0.088
149 H ARG 17 H ARG 17 252.993 7.284 -3.347
150 HA ARG 17 HA ARG 17 251.152 7.867 -5.525
151 HB2 ARG 17 1HB ARG 17 252.773 6.153 -5.985
152 HB3 ARG 17 2HB ARG 17 252.409 5.325 -4.481
153 HG2 ARG 17 1HG ARG 17 251.480 4.089 -6.306
154 HG3 ARG 17 2HG ARG 17 250.168 4.782 -5.353
155 HD2 ARG 17 1HD ARG 17 249.831 6.513 -6.990
156 HD3 ARG 17 2HD ARG 17 251.246 5.987 -7.900
157 HE ARG 17 HE ARG 17 250.026 3.911 -8.386
158 HH11 ARG 17 1HH1 ARG 17 248.185 6.718 -7.360
159 HH12 ARG 17 2HH1 ARG 17 246.713 6.169 -8.082
160 HH21 ARG 17 1HH2 ARG 17 248.093 3.196 -9.350
161 HH22 ARG 17 2HH2 ARG 17 246.656 4.176 -9.225
162 H LYS 18 H LYS 18 249.075 8.134 -5.072
163 HA LYS 18 HA LYS 18 247.896 7.643 -2.577
164 HB2 LYS 18 1HB LYS 18 246.736 8.139 -5.310
165 HB3 LYS 18 2HB LYS 18 245.697 7.799 -3.938
166 HG2 LYS 18 1HG LYS 18 245.737 10.134 -4.143
167 HG3 LYS 18 2HG LYS 18 246.802 9.767 -2.788
168 HD2 LYS 18 1HD LYS 18 248.729 10.228 -4.032
169 HD3 LYS 18 2HD LYS 18 247.869 10.113 -5.568
170 HE2 LYS 18 1HE LYS 18 248.411 12.438 -4.977
171 HE3 LYS 18 2HE LYS 18 246.677 12.164 -5.099
172 HZ1 LYS 18 1HZ LYS 18 247.177 13.508 -3.185
173 HZ2 LYS 18 2HZ LYS 18 248.250 12.350 -2.581
174 HZ3 LYS 18 3HZ LYS 18 246.597 12.008 -2.669
175 H ALA 19 H ALA 19 246.647 5.995 -1.783
176 HA ALA 19 HA ALA 19 246.927 3.427 -3.111
177 HB1 ALA 19 1HB ALA 19 247.354 3.622 -0.697
178 HB2 ALA 19 2HB ALA 19 246.064 2.477 -1.061
179 HB3 ALA 19 3HB ALA 19 245.670 4.085 -0.451
180 H ASN 20 H ASN 20 245.262 2.207 -3.899
181 HA ASN 20 HA ASN 20 242.701 3.627 -4.220
182 HB2 ASN 20 1HB ASN 20 243.775 1.481 -6.058
183 HB3 ASN 20 2HB ASN 20 242.435 2.583 -6.355
184 HD21 ASN 20 1HD2 ASN 20 242.893 4.774 -6.822
185 HD22 ASN 20 2HD2 ASN 20 244.448 5.250 -7.404
186 H ALA 21 H ALA 21 244.209 0.971 -2.844
187 HA ALA 21 HA ALA 21 241.626 -0.236 -2.211
188 HB1 ALA 21 1HB ALA 21 242.458 -1.563 -4.066
189 HB2 ALA 21 2HB ALA 21 242.542 -2.500 -2.575
190 HB3 ALA 21 3HB ALA 21 244.002 -1.781 -3.248
191 H SER 22 H SER 22 241.987 -1.939 -0.424
192 HA SER 22 HA SER 22 244.233 -1.260 1.306
193 HB2 SER 22 1HB SER 22 241.379 -1.121 2.292
194 HB3 SER 22 2HB SER 22 242.841 -0.732 3.200
195 HG SER 22 HG SER 22 242.975 0.775 1.099
196 H CYS 23 H CYS 23 245.000 -3.000 2.315
197 HA CYS 23 HA CYS 23 243.671 -5.538 2.024
198 HB2 CYS 23 1HB CYS 23 246.129 -5.312 1.841
199 HB3 CYS 23 2HB CYS 23 246.192 -4.814 3.527
200 H LYS 24 H LYS 24 241.923 -5.774 3.257
201 HA LYS 24 HA LYS 24 241.340 -4.427 5.616
202 HB2 LYS 24 1HB LYS 24 239.684 -5.522 4.143
203 HB3 LYS 24 2HB LYS 24 240.261 -7.092 4.681
204 HG2 LYS 24 1HG LYS 24 238.244 -6.578 5.848
205 HG3 LYS 24 2HG LYS 24 239.588 -6.491 6.990
206 HD2 LYS 24 1HD LYS 24 239.613 -4.063 6.799
207 HD3 LYS 24 2HD LYS 24 238.309 -4.129 5.612
208 HE2 LYS 24 1HE LYS 24 236.855 -5.162 7.309
209 HE3 LYS 24 2HE LYS 24 238.156 -5.019 8.489
210 HZ1 LYS 24 1HZ LYS 24 236.548 -3.219 8.674
211 HZ2 LYS 24 2HZ LYS 24 236.865 -2.747 7.082
212 HZ3 LYS 24 3HZ LYS 24 238.075 -2.629 8.256
213 H LYS 25 H LYS 25 243.106 -7.392 5.123
214 HA LYS 25 HA LYS 25 242.709 -8.451 7.717
215 HB2 LYS 25 1HB LYS 25 244.775 -9.062 5.615
216 HB3 LYS 25 2HB LYS 25 244.625 -9.958 7.122
217 HG2 LYS 25 1HG LYS 25 242.305 -10.524 6.518
218 HG3 LYS 25 2HG LYS 25 242.532 -9.703 4.977
219 HD2 LYS 25 1HD LYS 25 244.300 -11.260 4.385
220 HD3 LYS 25 2HD LYS 25 244.141 -12.056 5.954
221 HE2 LYS 25 1HE LYS 25 242.036 -11.900 3.801
222 HE3 LYS 25 2HE LYS 25 242.977 -13.323 4.237
223 HZ1 LYS 25 1HZ LYS 25 241.062 -11.916 6.013
224 HZ2 LYS 25 2HZ LYS 25 241.954 -13.292 6.420
225 HZ3 LYS 25 3HZ LYS 25 240.774 -13.376 5.215
226 H CYS 26 H CYS 26 245.115 -6.216 6.455
227 HA CYS 26 HA CYS 26 246.287 -6.189 9.160
228 HB2 CYS 26 1HB CYS 26 248.487 -5.758 8.201
229 HB3 CYS 26 2HB CYS 26 247.829 -7.270 7.583
230 H LYS 27 H LYS 27 244.618 -4.458 6.906
231 HA LYS 27 HA LYS 27 243.935 -2.317 6.769
232 HB2 LYS 27 1HB LYS 27 245.391 -2.072 9.400
233 HB3 LYS 27 2HB LYS 27 244.472 -0.760 8.676
234 HG2 LYS 27 1HG LYS 27 243.297 -3.447 9.355
235 HG3 LYS 27 2HG LYS 27 243.260 -2.054 10.435
236 HD2 LYS 27 1HD LYS 27 242.194 -1.856 7.639
237 HD3 LYS 27 2HD LYS 27 241.211 -2.542 8.928
238 HE2 LYS 27 1HE LYS 27 240.682 -0.206 8.680
239 HE3 LYS 27 2HE LYS 27 241.503 -0.453 10.217
240 HZ1 LYS 27 1HZ LYS 27 242.252 1.529 8.976
241 HZ2 LYS 27 2HZ LYS 27 242.842 0.522 7.755
242 HZ3 LYS 27 3HZ LYS 27 243.502 0.442 9.307
243 H LYS 28 H LYS 28 246.519 -3.206 5.634
244 HA LYS 28 HA LYS 28 247.894 -0.630 5.425
245 HB2 LYS 28 1HB LYS 28 248.614 -3.382 4.407
246 HB3 LYS 28 2HB LYS 28 249.504 -1.935 3.963
247 HG2 LYS 28 1HG LYS 28 249.983 -1.552 6.367
248 HG3 LYS 28 2HG LYS 28 249.203 -3.096 6.724
249 HD2 LYS 28 1HD LYS 28 250.822 -4.276 5.381
250 HD3 LYS 28 2HD LYS 28 251.550 -2.757 4.861
251 HE2 LYS 28 1HE LYS 28 252.934 -3.708 6.568
252 HE3 LYS 28 2HE LYS 28 252.125 -2.295 7.240
253 HZ1 LYS 28 1HZ LYS 28 250.514 -3.772 8.282
254 HZ2 LYS 28 2HZ LYS 28 252.084 -4.127 8.790
255 HZ3 LYS 28 3HZ LYS 28 251.320 -5.121 7.657
256 H VAL 29 H VAL 29 247.867 0.576 3.584
257 HA VAL 29 HA VAL 29 245.776 -0.157 1.683
258 HB VAL 29 HB VAL 29 245.861 2.232 0.996
259 HG11 VAL 29 1HG1 VAL 29 245.403 1.702 3.928
260 HG12 VAL 29 2HG1 VAL 29 244.234 1.469 2.627
261 HG13 VAL 29 3HG1 VAL 29 244.791 3.093 3.033
262 HG21 VAL 29 1HG2 VAL 29 247.065 3.829 2.398
263 HG22 VAL 29 2HG2 VAL 29 248.179 2.699 1.628
264 HG23 VAL 29 3HG2 VAL 29 247.755 2.500 3.329
265 H ILE 30 H ILE 30 246.067 0.026 -0.573
266 HA ILE 30 HA ILE 30 248.854 -0.029 -1.485
267 HB ILE 30 HB ILE 30 248.236 -2.122 -2.836
268 HG12 ILE 30 1HG1 ILE 30 246.032 -2.095 -0.769
269 HG13 ILE 30 2HG1 ILE 30 245.870 -2.215 -2.514
270 HG21 ILE 30 1HG2 ILE 30 249.847 -2.125 -1.013
271 HG22 ILE 30 2HG2 ILE 30 248.881 -3.601 -0.989
272 HG23 ILE 30 3HG2 ILE 30 248.540 -2.307 0.159
273 HD11 ILE 30 1HD1 ILE 30 246.957 -4.443 -2.396
274 HD12 ILE 30 2HD1 ILE 30 245.416 -4.347 -1.545
275 HD13 ILE 30 3HD1 ILE 30 246.930 -4.311 -0.640
276 H CYS 31 H CYS 31 249.134 0.250 -3.746
277 HA CYS 31 HA CYS 31 247.008 1.847 -4.948
278 HB2 CYS 31 1HB CYS 31 248.672 2.682 -6.462
279 HB3 CYS 31 2HB CYS 31 249.389 2.679 -4.857
280 H ARG 32 H ARG 32 246.758 1.602 -7.412
281 HA ARG 32 HA ARG 32 245.723 -0.907 -7.986
282 HB2 ARG 32 1HB ARG 32 246.644 1.249 -9.884
283 HB3 ARG 32 2HB ARG 32 245.756 -0.180 -10.390
284 HG2 ARG 32 1HG ARG 32 244.779 1.943 -8.494
285 HG3 ARG 32 2HG ARG 32 244.279 1.725 -10.170
286 HD2 ARG 32 1HD ARG 32 243.843 -0.217 -7.900
287 HD3 ARG 32 2HD ARG 32 242.620 0.803 -8.650
288 HE ARG 32 HE ARG 32 243.543 -0.625 -10.739
289 HH11 ARG 32 1HH1 ARG 32 242.431 -1.545 -7.555
290 HH12 ARG 32 2HH1 ARG 32 241.823 -3.083 -8.069
291 HH21 ARG 32 1HH2 ARG 32 242.729 -2.651 -11.428
292 HH22 ARG 32 2HH2 ARG 32 242.004 -3.719 -10.269
293 H GLU 33 H GLU 33 248.955 0.320 -8.570
294 HA GLU 33 HA GLU 33 249.714 -1.853 -10.270
295 HB2 GLU 33 1HB GLU 33 251.489 0.092 -8.793
296 HB3 GLU 33 2HB GLU 33 251.974 -0.952 -10.118
297 HG2 GLU 33 1HG GLU 33 251.714 1.099 -11.139
298 HG3 GLU 33 2HG GLU 33 250.179 0.301 -11.473
299 H HIS 34 H HIS 34 249.284 -1.571 -6.941
300 HA HIS 34 HA HIS 34 251.104 -3.840 -6.448
301 HB2 HIS 34 1HB HIS 34 250.648 -1.388 -4.749
302 HB3 HIS 34 2HB HIS 34 251.331 -2.867 -4.091
303 HD2 HIS 34 HD2 HIS 34 253.323 -3.369 -6.765
304 HE1 HIS 34 HE1 HIS 34 255.078 0.178 -5.265
305 HE2 HIS 34 HE2 HIS 34 255.485 -1.943 -6.600
306 H ASN 35 H ASN 35 248.002 -3.419 -6.829
307 HA ASN 35 HA ASN 35 247.276 -4.555 -4.230
308 HB2 ASN 35 1HB ASN 35 244.962 -3.800 -4.598
309 HB3 ASN 35 2HB ASN 35 246.119 -2.486 -4.534
310 HD21 ASN 35 1HD2 ASN 35 245.736 -4.428 -7.443
311 HD22 ASN 35 2HD2 ASN 35 244.960 -3.189 -8.368
312 H ILE 36 H ILE 36 246.324 -6.407 -3.976
313 HA ILE 36 HA ILE 36 244.857 -7.569 -6.244
314 HB ILE 36 HB ILE 36 245.310 -9.833 -5.316
315 HG12 ILE 36 1HG1 ILE 36 247.345 -8.418 -3.578
316 HG13 ILE 36 2HG1 ILE 36 245.847 -9.139 -3.002
317 HG21 ILE 36 1HG2 ILE 36 247.613 -10.029 -6.130
318 HG22 ILE 36 2HG2 ILE 36 247.774 -8.274 -6.074
319 HG23 ILE 36 3HG2 ILE 36 246.624 -9.018 -7.185
320 HD11 ILE 36 1HD1 ILE 36 247.756 -10.571 -2.559
321 HD12 ILE 36 2HD1 ILE 36 248.138 -10.615 -4.280
322 HD13 ILE 36 3HD1 ILE 36 246.642 -11.339 -3.690
323 H ASP 37 H ASP 37 243.984 -5.703 -4.452
324 HA ASP 37 HA ASP 37 242.417 -5.106 -2.945
325 HB2 ASP 37 1HB ASP 37 241.014 -6.882 -4.051
326 HB3 ASP 37 2HB ASP 37 241.547 -7.994 -2.792
327 H MET 38 H MET 38 243.750 -8.241 -2.077
328 HA MET 38 HA MET 38 244.264 -7.354 0.653
329 HB2 MET 38 1HB MET 38 243.427 -9.657 0.218
330 HB3 MET 38 2HB MET 38 244.849 -9.978 -0.761
331 HG2 MET 38 1HG MET 38 246.274 -9.782 1.178
332 HG3 MET 38 2HG MET 38 244.892 -9.342 2.181
333 HE1 MET 38 1HE MET 38 244.868 -12.078 -0.670
334 HE2 MET 38 2HE MET 38 245.400 -13.498 0.230
335 HE3 MET 38 3HE MET 38 246.508 -12.151 -0.026
336 H CYS 39 H CYS 39 246.585 -7.636 1.452
337 HA CYS 39 HA CYS 39 248.426 -6.768 -0.646
338 HB2 CYS 39 1HB CYS 39 249.782 -5.856 1.000
339 HB3 CYS 39 2HB CYS 39 248.194 -5.670 1.731
340 H GLN 40 H GLN 40 250.512 -7.785 -0.845
341 HA GLN 40 HA GLN 40 250.170 -10.605 -1.059
342 HB2 GLN 40 1HB GLN 40 252.602 -8.888 -1.572
343 HB3 GLN 40 2HB GLN 40 252.442 -10.578 -2.027
344 HG2 GLN 40 1HG GLN 40 250.584 -10.019 -3.497
345 HG3 GLN 40 2HG GLN 40 250.721 -8.324 -3.033
346 HE21 GLN 40 1HE2 GLN 40 252.472 -7.119 -3.772
347 HE22 GLN 40 2HE2 GLN 40 253.449 -7.637 -5.100
348 H SER 41 H SER 41 251.185 -8.661 1.464
349 HA SER 41 HA SER 41 253.011 -10.574 2.624
350 HB2 SER 41 1HB SER 41 251.777 -8.090 3.831
351 HB3 SER 41 2HB SER 41 253.140 -9.001 4.484
352 HG SER 41 HG SER 41 254.221 -8.520 2.438
353 H CYS 42 H CYS 42 249.628 -10.074 2.543
354 HA CYS 42 HA CYS 42 249.269 -11.945 4.789
355 HB2 CYS 42 1HB CYS 42 247.227 -10.232 3.350
356 HB3 CYS 42 2HB CYS 42 246.845 -11.383 4.622
357 H PHE 43 H PHE 43 249.857 -12.061 1.636
358 HA PHE 43 HA PHE 43 247.780 -13.861 0.763
359 HB2 PHE 43 1HB PHE 43 248.851 -12.245 -0.787
360 HB3 PHE 43 2HB PHE 43 250.378 -13.095 -0.592
361 HD1 PHE 43 HD1 PHE 43 247.007 -13.253 -2.020
362 HD2 PHE 43 HD2 PHE 43 250.787 -15.181 -1.707
363 HE1 PHE 43 HE1 PHE 43 246.406 -14.730 -3.893
364 HE2 PHE 43 HE2 PHE 43 250.192 -16.660 -3.577
365 HZ PHE 43 HZ PHE 43 247.999 -16.435 -4.675
Start of MODEL 5
1 H1 VAL 1 1H VAL 1 250.485 2.529 12.383
2 H2 VAL 1 2H VAL 1 250.322 2.269 10.721
3 H3 VAL 1 3H VAL 1 249.159 1.668 11.785
4 HA VAL 1 HA VAL 1 248.490 3.869 12.394
5 HB VAL 1 HB VAL 1 250.573 5.054 12.175
6 HG11 VAL 1 1HG1 VAL 1 250.386 4.532 9.212
7 HG12 VAL 1 2HG1 VAL 1 251.571 3.854 10.328
8 HG13 VAL 1 3HG1 VAL 1 251.570 5.584 9.988
9 HG21 VAL 1 1HG2 VAL 1 248.572 6.404 11.938
10 HG22 VAL 1 2HG2 VAL 1 248.553 6.109 10.200
11 HG23 VAL 1 3HG2 VAL 1 249.862 7.045 10.921
12 H MET 2 H MET 2 246.494 3.721 11.599
13 HA MET 2 HA MET 2 246.175 3.063 8.766
14 HB2 MET 2 1HB MET 2 243.903 2.400 9.298
15 HB3 MET 2 2HB MET 2 245.028 1.615 10.395
16 HG2 MET 2 1HG MET 2 244.471 3.204 12.139
17 HG3 MET 2 2HG MET 2 243.386 4.053 11.041
18 HE1 MET 2 1HE MET 2 242.668 -0.257 12.543
19 HE2 MET 2 2HE MET 2 244.097 0.701 12.930
20 HE3 MET 2 3HE MET 2 243.842 0.125 11.284
21 H LYS 3 H LYS 3 246.031 5.760 10.780
22 HA LYS 3 HA LYS 3 244.056 7.098 9.108
23 HB2 LYS 3 1HB LYS 3 244.187 8.983 10.618
24 HB3 LYS 3 2HB LYS 3 243.936 7.508 11.535
25 HG2 LYS 3 1HG LYS 3 246.735 8.386 11.196
26 HG3 LYS 3 2HG LYS 3 245.704 9.390 12.216
27 HD2 LYS 3 1HD LYS 3 245.071 7.309 13.464
28 HD3 LYS 3 2HD LYS 3 246.309 6.458 12.543
29 HE2 LYS 3 1HE LYS 3 248.025 7.917 13.437
30 HE3 LYS 3 2HE LYS 3 246.808 8.868 14.285
31 HZ1 LYS 3 1HZ LYS 3 246.272 6.938 15.623
32 HZ2 LYS 3 2HZ LYS 3 247.915 7.309 15.759
33 HZ3 LYS 3 3HZ LYS 3 247.421 6.008 14.799
34 H LYS 4 H LYS 4 244.534 9.153 8.123
35 HA LYS 4 HA LYS 4 245.630 10.280 6.497
36 HB2 LYS 4 1HB LYS 4 247.901 9.902 8.447
37 HB3 LYS 4 2HB LYS 4 248.017 10.911 7.010
38 HG2 LYS 4 1HG LYS 4 246.104 11.297 9.302
39 HG3 LYS 4 2HG LYS 4 247.549 12.255 8.970
40 HD2 LYS 4 1HD LYS 4 246.560 12.922 6.802
41 HD3 LYS 4 2HD LYS 4 245.096 12.034 7.226
42 HE2 LYS 4 1HE LYS 4 244.825 13.477 9.202
43 HE3 LYS 4 2HE LYS 4 246.253 14.387 8.711
44 HZ1 LYS 4 1HZ LYS 4 243.728 14.133 7.169
45 HZ2 LYS 4 2HZ LYS 4 245.105 14.966 6.649
46 HZ3 LYS 4 3HZ LYS 4 244.254 15.506 8.005
47 H ARG 5 H ARG 5 245.180 7.847 5.737
48 HA ARG 5 HA ARG 5 247.679 6.954 4.468
49 HB2 ARG 5 1HB ARG 5 245.388 5.345 5.562
50 HB3 ARG 5 2HB ARG 5 246.520 4.676 4.400
51 HG2 ARG 5 1HG ARG 5 247.391 5.886 7.005
52 HG3 ARG 5 2HG ARG 5 246.978 4.182 6.829
53 HD2 ARG 5 1HD ARG 5 249.340 4.348 6.621
54 HD3 ARG 5 2HD ARG 5 248.701 4.049 5.009
55 HE ARG 5 HE ARG 5 249.197 6.828 5.740
56 HH11 ARG 5 1HH1 ARG 5 250.277 3.962 4.040
57 HH12 ARG 5 2HH1 ARG 5 251.428 4.819 3.066
58 HH21 ARG 5 1HH2 ARG 5 250.731 7.956 4.466
59 HH22 ARG 5 2HH2 ARG 5 251.701 7.086 3.319
60 H THR 6 H THR 6 246.761 8.733 3.023
61 HA THR 6 HA THR 6 244.710 7.867 1.174
62 HB THR 6 HB THR 6 246.554 10.259 0.983
63 HG1 THR 6 HG1 THR 6 244.061 9.898 2.305
64 HG21 THR 6 1HG2 THR 6 244.776 11.198 -0.427
65 HG22 THR 6 2HG2 THR 6 243.866 9.694 -0.277
66 HG23 THR 6 3HG2 THR 6 245.422 9.705 -1.109
67 H TYR 7 H TYR 7 248.117 7.740 1.520
68 HA TYR 7 HA TYR 7 248.478 7.111 -1.323
69 HB2 TYR 7 1HB TYR 7 250.528 7.943 0.743
70 HB3 TYR 7 2HB TYR 7 250.863 7.618 -0.957
71 HD1 TYR 7 HD1 TYR 7 250.234 10.149 1.360
72 HD2 TYR 7 HD2 TYR 7 249.298 8.990 -2.621
73 HE1 TYR 7 HE1 TYR 7 249.687 12.481 0.817
74 HE2 TYR 7 HE2 TYR 7 248.757 11.316 -3.177
75 HH TYR 7 HH TYR 7 249.506 13.940 -1.087
76 H CYS 8 H CYS 8 249.591 5.317 -1.956
77 HA CYS 8 HA CYS 8 249.073 2.946 -0.605
78 HB2 CYS 8 1HB CYS 8 249.385 2.869 -2.936
79 HB3 CYS 8 2HB CYS 8 250.945 3.664 -2.843
80 H THR 9 H THR 9 249.987 1.933 1.007
81 HA THR 9 HA THR 9 252.155 3.024 2.450
82 HB THR 9 HB THR 9 250.980 0.253 2.723
83 HG1 THR 9 HG1 THR 9 249.235 1.507 2.985
84 HG21 THR 9 1HG2 THR 9 253.007 0.577 4.029
85 HG22 THR 9 2HG2 THR 9 251.602 0.523 5.095
86 HG23 THR 9 3HG2 THR 9 252.356 2.069 4.706
87 H TYR 10 H TYR 10 251.985 0.700 -0.107
88 HA TYR 10 HA TYR 10 254.630 -0.357 0.422
89 HB2 TYR 10 1HB TYR 10 252.508 -0.931 -1.612
90 HB3 TYR 10 2HB TYR 10 254.163 -1.455 -1.911
91 HD1 TYR 10 HD1 TYR 10 251.869 -1.440 1.045
92 HD2 TYR 10 HD2 TYR 10 254.503 -3.676 -1.435
93 HE1 TYR 10 HE1 TYR 10 251.505 -3.414 2.455
94 HE2 TYR 10 HE2 TYR 10 254.146 -5.664 -0.030
95 HH TYR 10 HH TYR 10 251.692 -5.783 2.402
96 H CYS 11 H CYS 11 253.225 2.225 -1.298
97 HA CYS 11 HA CYS 11 255.497 2.613 -3.054
98 HB2 CYS 11 1HB CYS 11 252.921 4.078 -2.584
99 HB3 CYS 11 2HB CYS 11 254.248 4.899 -3.393
100 HA PRO 12 HA PRO 12 257.953 4.820 -0.049
101 HB2 PRO 12 1HB PRO 12 258.991 6.191 -2.468
102 HB3 PRO 12 2HB PRO 12 259.868 5.314 -1.212
103 HG2 PRO 12 1HG PRO 12 259.520 4.267 -3.644
104 HG3 PRO 12 2HG PRO 12 259.481 3.256 -2.187
105 HD2 PRO 12 1HD PRO 12 257.225 4.236 -3.876
106 HD3 PRO 12 2HD PRO 12 257.427 2.682 -3.043
107 H SER 13 H SER 13 257.853 6.814 0.930
108 HA SER 13 HA SER 13 255.603 8.408 0.363
109 HB2 SER 13 1HB SER 13 257.957 8.997 2.170
110 HB3 SER 13 2HB SER 13 256.408 9.842 2.191
111 HG SER 13 HG SER 13 257.053 7.616 3.464
112 H LYS 14 H LYS 14 258.805 8.547 -0.876
113 HA LYS 14 HA LYS 14 258.746 11.290 -1.678
114 HB2 LYS 14 1HB LYS 14 260.329 8.964 -2.786
115 HB3 LYS 14 2HB LYS 14 260.587 10.650 -3.211
116 HG2 LYS 14 1HG LYS 14 260.930 9.450 -0.474
117 HG3 LYS 14 2HG LYS 14 262.225 9.886 -1.588
118 HD2 LYS 14 1HD LYS 14 261.314 12.240 -1.522
119 HD3 LYS 14 2HD LYS 14 260.284 11.713 -0.191
120 HE2 LYS 14 1HE LYS 14 263.299 11.611 -0.245
121 HE3 LYS 14 2HE LYS 14 262.322 12.788 0.627
122 HZ1 LYS 14 1HZ LYS 14 262.384 9.862 1.125
123 HZ2 LYS 14 2HZ LYS 14 261.397 10.963 1.937
124 HZ3 LYS 14 3HZ LYS 14 263.074 11.056 2.101
125 H ILE 15 H ILE 15 257.184 8.482 -2.710
126 HA ILE 15 HA ILE 15 256.360 9.775 -5.222
127 HB ILE 15 HB ILE 15 256.391 6.817 -4.583
128 HG12 ILE 15 1HG1 ILE 15 258.151 8.411 -6.460
129 HG13 ILE 15 2HG1 ILE 15 258.650 7.794 -4.887
130 HG21 ILE 15 1HG2 ILE 15 254.584 7.449 -6.107
131 HG22 ILE 15 2HG2 ILE 15 255.819 6.502 -6.936
132 HG23 ILE 15 3HG2 ILE 15 255.750 8.250 -7.162
133 HD11 ILE 15 1HD1 ILE 15 258.295 5.514 -5.679
134 HD12 ILE 15 2HD1 ILE 15 259.459 6.382 -6.677
135 HD13 ILE 15 3HD1 ILE 15 257.811 6.139 -7.254
136 H ARG 16 H ARG 16 254.689 10.912 -4.208
137 HA ARG 16 HA ARG 16 252.778 9.660 -2.504
138 HB2 ARG 16 1HB ARG 16 252.733 12.314 -3.942
139 HB3 ARG 16 2HB ARG 16 251.481 11.786 -2.829
140 HG2 ARG 16 1HG ARG 16 253.152 11.642 -1.037
141 HG3 ARG 16 2HG ARG 16 254.385 12.223 -2.159
142 HD2 ARG 16 1HD ARG 16 253.125 14.301 -2.461
143 HD3 ARG 16 2HD ARG 16 251.894 13.717 -1.342
144 HE ARG 16 HE ARG 16 254.439 13.662 -0.116
145 HH11 ARG 16 1HH1 ARG 16 251.941 15.903 -1.104
146 HH12 ARG 16 2HH1 ARG 16 252.363 17.089 0.086
147 HH21 ARG 16 1HH2 ARG 16 254.987 15.215 1.453
148 HH22 ARG 16 2HH2 ARG 16 254.094 16.700 1.540
149 H ARG 17 H ARG 17 252.346 7.841 -3.945
150 HA ARG 17 HA ARG 17 250.440 8.460 -6.082
151 HB2 ARG 17 1HB ARG 17 252.352 6.844 -6.480
152 HB3 ARG 17 2HB ARG 17 251.572 5.755 -5.337
153 HG2 ARG 17 1HG ARG 17 249.606 5.634 -6.756
154 HG3 ARG 17 2HG ARG 17 250.335 6.774 -7.887
155 HD2 ARG 17 1HD ARG 17 252.198 5.145 -8.211
156 HD3 ARG 17 2HD ARG 17 251.296 3.994 -7.224
157 HE ARG 17 HE ARG 17 249.537 4.770 -9.166
158 HH11 ARG 17 1HH1 ARG 17 252.731 3.336 -9.153
159 HH12 ARG 17 2HH1 ARG 17 252.507 2.512 -10.663
160 HH21 ARG 17 1HH2 ARG 17 249.239 3.699 -11.152
161 HH22 ARG 17 2HH2 ARG 17 250.518 2.726 -11.802
162 H LYS 18 H LYS 18 248.324 8.125 -5.825
163 HA LYS 18 HA LYS 18 247.336 7.813 -3.191
164 HB2 LYS 18 1HB LYS 18 245.937 7.952 -5.862
165 HB3 LYS 18 2HB LYS 18 245.072 7.819 -4.339
166 HG2 LYS 18 1HG LYS 18 245.049 10.101 -4.904
167 HG3 LYS 18 2HG LYS 18 246.254 9.936 -3.627
168 HD2 LYS 18 1HD LYS 18 248.039 9.982 -5.271
169 HD3 LYS 18 2HD LYS 18 246.859 10.054 -6.579
170 HE2 LYS 18 1HE LYS 18 247.225 12.136 -4.428
171 HE3 LYS 18 2HE LYS 18 247.836 12.253 -6.077
172 HZ1 LYS 18 1HZ LYS 18 244.983 12.118 -5.261
173 HZ2 LYS 18 2HZ LYS 18 245.528 12.141 -6.860
174 HZ3 LYS 18 3HZ LYS 18 245.796 13.476 -5.858
175 H ALA 19 H ALA 19 246.296 6.158 -2.214
176 HA ALA 19 HA ALA 19 246.809 3.519 -3.282
177 HB1 ALA 19 1HB ALA 19 245.453 4.292 -0.704
178 HB2 ALA 19 2HB ALA 19 247.191 4.070 -0.902
179 HB3 ALA 19 3HB ALA 19 246.097 2.707 -1.136
180 H ASN 20 H ASN 20 245.450 2.933 -4.854
181 HA ASN 20 HA ASN 20 242.671 3.685 -4.830
182 HB2 ASN 20 1HB ASN 20 244.225 1.920 -6.730
183 HB3 ASN 20 2HB ASN 20 242.545 2.392 -6.952
184 HD21 ASN 20 1HD2 ASN 20 244.853 2.901 -8.635
185 HD22 ASN 20 2HD2 ASN 20 244.960 4.620 -8.799
186 H ALA 21 H ALA 21 244.176 1.519 -3.034
187 HA ALA 21 HA ALA 21 241.795 -0.068 -2.694
188 HB1 ALA 21 1HB ALA 21 244.376 -1.428 -3.461
189 HB2 ALA 21 2HB ALA 21 242.941 -1.297 -4.477
190 HB3 ALA 21 3HB ALA 21 242.880 -2.227 -2.981
191 H SER 22 H SER 22 242.146 -1.676 -0.871
192 HA SER 22 HA SER 22 244.198 -0.859 1.022
193 HB2 SER 22 1HB SER 22 242.277 0.590 1.524
194 HB3 SER 22 2HB SER 22 241.236 -0.826 1.657
195 HG SER 22 HG SER 22 242.681 0.298 3.554
196 H CYS 23 H CYS 23 245.004 -2.561 2.084
197 HA CYS 23 HA CYS 23 244.033 -5.179 1.420
198 HB2 CYS 23 1HB CYS 23 246.434 -4.694 1.618
199 HB3 CYS 23 2HB CYS 23 246.216 -4.314 3.321
200 H LYS 24 H LYS 24 242.478 -6.209 2.463
201 HA LYS 24 HA LYS 24 241.165 -4.944 4.619
202 HB2 LYS 24 1HB LYS 24 240.092 -6.308 2.807
203 HB3 LYS 24 2HB LYS 24 240.709 -7.747 3.606
204 HG2 LYS 24 1HG LYS 24 238.394 -7.387 4.191
205 HG3 LYS 24 2HG LYS 24 239.420 -7.173 5.612
206 HD2 LYS 24 1HD LYS 24 239.305 -4.759 5.361
207 HD3 LYS 24 2HD LYS 24 238.348 -4.938 3.890
208 HE2 LYS 24 1HE LYS 24 237.520 -5.872 6.633
209 HE3 LYS 24 2HE LYS 24 236.978 -4.383 5.862
210 HZ1 LYS 24 1HZ LYS 24 235.353 -6.142 5.610
211 HZ2 LYS 24 2HZ LYS 24 236.491 -7.135 4.853
212 HZ3 LYS 24 3HZ LYS 24 235.981 -5.711 4.100
213 H LYS 25 H LYS 25 243.562 -7.474 4.524
214 HA LYS 25 HA LYS 25 242.839 -8.629 7.033
215 HB2 LYS 25 1HB LYS 25 244.061 -9.873 5.243
216 HB3 LYS 25 2HB LYS 25 245.484 -8.900 5.601
217 HG2 LYS 25 1HG LYS 25 245.394 -9.748 7.941
218 HG3 LYS 25 2HG LYS 25 244.089 -10.825 7.450
219 HD2 LYS 25 1HD LYS 25 245.607 -11.839 5.782
220 HD3 LYS 25 2HD LYS 25 246.906 -10.804 6.375
221 HE2 LYS 25 1HE LYS 25 245.412 -12.873 7.981
222 HE3 LYS 25 2HE LYS 25 247.044 -13.039 7.343
223 HZ1 LYS 25 1HZ LYS 25 247.749 -11.212 8.745
224 HZ2 LYS 25 2HZ LYS 25 247.045 -12.431 9.683
225 HZ3 LYS 25 3HZ LYS 25 246.177 -11.022 9.341
226 H CYS 26 H CYS 26 245.133 -6.135 6.055
227 HA CYS 26 HA CYS 26 245.917 -5.903 8.885
228 HB2 CYS 26 1HB CYS 26 248.059 -4.975 8.125
229 HB3 CYS 26 2HB CYS 26 247.792 -6.590 7.480
230 H LYS 27 H LYS 27 244.226 -4.448 6.429
231 HA LYS 27 HA LYS 27 243.156 -2.489 6.196
232 HB2 LYS 27 1HB LYS 27 244.064 -2.010 9.035
233 HB3 LYS 27 2HB LYS 27 242.936 -0.980 8.165
234 HG2 LYS 27 1HG LYS 27 241.469 -3.000 7.875
235 HG3 LYS 27 2HG LYS 27 242.548 -3.848 8.983
236 HD2 LYS 27 1HD LYS 27 242.087 -2.164 10.705
237 HD3 LYS 27 2HD LYS 27 240.999 -1.332 9.595
238 HE2 LYS 27 1HE LYS 27 239.600 -3.355 9.486
239 HE3 LYS 27 2HE LYS 27 240.670 -4.140 10.646
240 HZ1 LYS 27 1HZ LYS 27 238.715 -3.245 11.725
241 HZ2 LYS 27 2HZ LYS 27 239.065 -1.697 11.150
242 HZ3 LYS 27 3HZ LYS 27 240.097 -2.436 12.264
243 H LYS 28 H LYS 28 246.057 -2.799 5.596
244 HA LYS 28 HA LYS 28 246.936 -0.011 5.688
245 HB2 LYS 28 1HB LYS 28 248.345 -2.515 4.743
246 HB3 LYS 28 2HB LYS 28 249.037 -0.903 4.661
247 HG2 LYS 28 1HG LYS 28 248.974 -0.725 7.078
248 HG3 LYS 28 2HG LYS 28 248.207 -2.311 7.192
249 HD2 LYS 28 1HD LYS 28 250.178 -3.340 6.180
250 HD3 LYS 28 2HD LYS 28 250.941 -1.756 6.037
251 HE2 LYS 28 1HE LYS 28 250.141 -3.108 8.612
252 HE3 LYS 28 2HE LYS 28 251.780 -2.989 7.976
253 HZ1 LYS 28 1HZ LYS 28 250.063 -0.709 8.791
254 HZ2 LYS 28 2HZ LYS 28 251.619 -0.576 8.147
255 HZ3 LYS 28 3HZ LYS 28 251.387 -1.313 9.647
256 H VAL 29 H VAL 29 246.872 1.298 3.961
257 HA VAL 29 HA VAL 29 245.371 0.436 1.676
258 HB VAL 29 HB VAL 29 245.591 2.740 0.878
259 HG11 VAL 29 1HG1 VAL 29 244.856 2.514 3.788
260 HG12 VAL 29 2HG1 VAL 29 243.801 2.192 2.412
261 HG13 VAL 29 3HG1 VAL 29 244.385 3.829 2.712
262 HG21 VAL 29 1HG2 VAL 29 246.716 4.424 2.280
263 HG22 VAL 29 2HG2 VAL 29 247.840 3.235 1.621
264 HG23 VAL 29 3HG2 VAL 29 247.333 3.128 3.305
265 H ILE 30 H ILE 30 246.023 0.352 -0.463
266 HA ILE 30 HA ILE 30 248.897 0.406 -1.028
267 HB ILE 30 HB ILE 30 248.667 -1.840 -2.180
268 HG12 ILE 30 1HG1 ILE 30 246.229 -2.049 -0.397
269 HG13 ILE 30 2HG1 ILE 30 246.181 -1.866 -2.145
270 HG21 ILE 30 1HG2 ILE 30 249.911 -1.577 -0.106
271 HG22 ILE 30 2HG2 ILE 30 249.061 -3.121 -0.131
272 HG23 ILE 30 3HG2 ILE 30 248.427 -1.783 0.826
273 HD11 ILE 30 1HD1 ILE 30 245.817 -4.177 -1.373
274 HD12 ILE 30 2HD1 ILE 30 247.452 -4.179 -0.706
275 HD13 ILE 30 3HD1 ILE 30 247.206 -4.009 -2.445
276 H CYS 31 H CYS 31 249.357 0.278 -3.331
277 HA CYS 31 HA CYS 31 247.123 1.174 -4.992
278 HB2 CYS 31 1HB CYS 31 248.727 1.953 -6.575
279 HB3 CYS 31 2HB CYS 31 249.352 2.423 -5.004
280 H ARG 32 H ARG 32 246.544 0.034 -6.873
281 HA ARG 32 HA ARG 32 246.750 -2.791 -6.503
282 HB2 ARG 32 1HB ARG 32 245.423 -1.192 -8.695
283 HB3 ARG 32 2HB ARG 32 245.269 -2.932 -8.484
284 HG2 ARG 32 1HG ARG 32 244.353 -2.471 -6.192
285 HG3 ARG 32 2HG ARG 32 244.307 -0.765 -6.634
286 HD2 ARG 32 1HD ARG 32 242.863 -3.011 -8.037
287 HD3 ARG 32 2HD ARG 32 242.134 -1.818 -6.964
288 HE ARG 32 HE ARG 32 243.380 -0.383 -8.964
289 HH11 ARG 32 1HH1 ARG 32 240.841 -2.776 -8.745
290 HH12 ARG 32 2HH1 ARG 32 240.010 -2.214 -10.161
291 HH21 ARG 32 1HH2 ARG 32 242.295 0.363 -10.828
292 HH22 ARG 32 2HH2 ARG 32 240.837 -0.421 -11.345
293 H GLU 33 H GLU 33 248.688 -0.565 -8.076
294 HA GLU 33 HA GLU 33 249.715 -2.443 -10.017
295 HB2 GLU 33 1HB GLU 33 250.673 0.283 -9.152
296 HB3 GLU 33 2HB GLU 33 251.489 -0.695 -10.364
297 HG2 GLU 33 1HG GLU 33 248.719 0.460 -10.507
298 HG3 GLU 33 2HG GLU 33 250.119 0.887 -11.491
299 H HIS 34 H HIS 34 250.101 -1.795 -6.722
300 HA HIS 34 HA HIS 34 252.644 -3.247 -6.630
301 HB2 HIS 34 1HB HIS 34 251.254 -1.401 -4.795
302 HB3 HIS 34 2HB HIS 34 251.976 -2.801 -4.005
303 HD2 HIS 34 HD2 HIS 34 254.632 -2.846 -6.048
304 HE1 HIS 34 HE1 HIS 34 255.365 0.857 -4.151
305 HE2 HIS 34 HE2 HIS 34 256.329 -0.926 -5.674
306 H ASN 35 H ASN 35 249.436 -3.342 -5.108
307 HA ASN 35 HA ASN 35 249.494 -6.262 -5.222
308 HB2 ASN 35 1HB ASN 35 249.194 -4.619 -2.714
309 HB3 ASN 35 2HB ASN 35 248.535 -6.245 -2.830
310 HD21 ASN 35 1HD2 ASN 35 250.702 -7.285 -4.446
311 HD22 ASN 35 2HD2 ASN 35 252.078 -7.405 -3.412
312 H ILE 36 H ILE 36 247.480 -7.176 -5.475
313 HA ILE 36 HA ILE 36 245.414 -5.307 -6.288
314 HB ILE 36 HB ILE 36 245.436 -8.324 -6.440
315 HG12 ILE 36 1HG1 ILE 36 247.200 -7.267 -7.816
316 HG13 ILE 36 2HG1 ILE 36 245.962 -8.032 -8.806
317 HG21 ILE 36 1HG2 ILE 36 243.180 -7.421 -6.423
318 HG22 ILE 36 2HG2 ILE 36 243.583 -8.042 -8.023
319 HG23 ILE 36 3HG2 ILE 36 243.600 -6.306 -7.723
320 HD11 ILE 36 1HD1 ILE 36 246.220 -5.088 -8.234
321 HD12 ILE 36 2HD1 ILE 36 244.943 -5.836 -9.193
322 HD13 ILE 36 3HD1 ILE 36 246.617 -5.906 -9.745
323 H ASP 37 H ASP 37 244.824 -4.492 -4.263
324 HA ASP 37 HA ASP 37 243.285 -4.235 -2.621
325 HB2 ASP 37 1HB ASP 37 242.284 -6.861 -3.680
326 HB3 ASP 37 2HB ASP 37 241.554 -6.091 -2.276
327 H MET 38 H MET 38 244.977 -7.306 -2.650
328 HA MET 38 HA MET 38 245.124 -7.123 0.288
329 HB2 MET 38 1HB MET 38 245.394 -9.606 -1.425
330 HB3 MET 38 2HB MET 38 245.494 -9.548 0.330
331 HG2 MET 38 1HG MET 38 243.074 -8.909 -1.342
332 HG3 MET 38 2HG MET 38 243.327 -10.361 -0.377
333 HE1 MET 38 1HE MET 38 243.255 -10.455 2.220
334 HE2 MET 38 2HE MET 38 243.124 -9.044 3.269
335 HE3 MET 38 3HE MET 38 244.584 -9.299 2.315
336 H CYS 39 H CYS 39 247.099 -6.937 1.185
337 HA CYS 39 HA CYS 39 249.244 -6.344 -0.653
338 HB2 CYS 39 1HB CYS 39 250.238 -5.156 1.050
339 HB3 CYS 39 2HB CYS 39 248.558 -5.082 1.563
340 H GLN 40 H GLN 40 251.329 -7.181 -0.515
341 HA GLN 40 HA GLN 40 251.355 -9.963 -0.742
342 HB2 GLN 40 1HB GLN 40 252.839 -8.358 -1.939
343 HB3 GLN 40 2HB GLN 40 253.732 -8.124 -0.444
344 HG2 GLN 40 1HG GLN 40 254.930 -9.658 -1.816
345 HG3 GLN 40 2HG GLN 40 254.262 -10.541 -0.443
346 HE21 GLN 40 1HE2 GLN 40 252.547 -11.963 -0.781
347 HE22 GLN 40 2HE2 GLN 40 252.169 -12.574 -2.353
348 H SER 41 H SER 41 252.090 -7.928 1.983
349 HA SER 41 HA SER 41 253.597 -9.825 3.461
350 HB2 SER 41 1HB SER 41 253.645 -7.397 3.920
351 HB3 SER 41 2HB SER 41 251.968 -7.471 4.451
352 HG SER 41 HG SER 41 254.143 -8.873 5.633
353 H CYS 42 H CYS 42 250.230 -9.412 2.863
354 HA CYS 42 HA CYS 42 249.513 -11.224 5.051
355 HB2 CYS 42 1HB CYS 42 247.807 -9.575 3.181
356 HB3 CYS 42 2HB CYS 42 247.156 -10.694 4.372
357 H PHE 43 H PHE 43 248.783 -10.840 1.585
358 HA PHE 43 HA PHE 43 248.771 -13.763 1.337
359 HB2 PHE 43 1HB PHE 43 246.644 -11.878 0.302
360 HB3 PHE 43 2HB PHE 43 246.787 -13.562 -0.181
361 HD1 PHE 43 HD1 PHE 43 246.443 -15.351 1.498
362 HD2 PHE 43 HD2 PHE 43 245.625 -11.266 2.347
363 HE1 PHE 43 HE1 PHE 43 245.063 -16.032 3.413
364 HE2 PHE 43 HE2 PHE 43 244.242 -11.937 4.265
365 HZ PHE 43 HZ PHE 43 243.962 -14.324 4.803
Start of MODEL 6
1 H1 VAL 1 1H VAL 1 251.947 11.284 7.759
2 H2 VAL 1 2H VAL 1 250.851 10.826 8.955
3 H3 VAL 1 3H VAL 1 252.287 11.608 9.380
4 HA VAL 1 HA VAL 1 250.395 13.099 9.492
5 HB VAL 1 HB VAL 1 252.675 13.938 8.920
6 HG11 VAL 1 1HG1 VAL 1 251.697 13.783 6.074
7 HG12 VAL 1 2HG1 VAL 1 252.993 12.825 6.787
8 HG13 VAL 1 3HG1 VAL 1 253.183 14.569 6.609
9 HG21 VAL 1 1HG2 VAL 1 250.925 15.538 9.319
10 HG22 VAL 1 2HG2 VAL 1 250.364 15.397 7.655
11 HG23 VAL 1 3HG2 VAL 1 251.939 16.112 7.994
12 H MET 2 H MET 2 248.608 14.030 8.543
13 HA MET 2 HA MET 2 246.733 14.100 7.274
14 HB2 MET 2 1HB MET 2 248.728 13.675 5.044
15 HB3 MET 2 2HB MET 2 247.042 14.100 4.792
16 HG2 MET 2 1HG MET 2 249.137 15.755 6.175
17 HG3 MET 2 2HG MET 2 248.404 16.063 4.603
18 HE1 MET 2 1HE MET 2 245.349 15.361 5.150
19 HE2 MET 2 2HE MET 2 245.880 16.790 4.262
20 HE3 MET 2 3HE MET 2 244.720 16.951 5.581
21 H LYS 3 H LYS 3 247.232 11.693 8.487
22 HA LYS 3 HA LYS 3 246.544 9.537 8.567
23 HB2 LYS 3 1HB LYS 3 244.902 10.305 6.149
24 HB3 LYS 3 2HB LYS 3 244.677 8.859 7.121
25 HG2 LYS 3 1HG LYS 3 244.361 11.687 8.107
26 HG3 LYS 3 2HG LYS 3 243.044 10.609 7.647
27 HD2 LYS 3 1HD LYS 3 245.028 10.076 9.858
28 HD3 LYS 3 2HD LYS 3 243.404 10.720 10.092
29 HE2 LYS 3 1HE LYS 3 244.072 8.042 8.874
30 HE3 LYS 3 2HE LYS 3 243.515 8.307 10.524
31 HZ1 LYS 3 1HZ LYS 3 241.989 8.905 8.048
32 HZ2 LYS 3 2HZ LYS 3 241.457 9.228 9.621
33 HZ3 LYS 3 3HZ LYS 3 241.696 7.633 9.122
34 H LYS 4 H LYS 4 248.565 8.711 8.132
35 HA LYS 4 HA LYS 4 249.730 8.330 5.632
36 HB2 LYS 4 1HB LYS 4 251.007 8.113 7.679
37 HB3 LYS 4 2HB LYS 4 250.028 6.746 8.187
38 HG2 LYS 4 1HG LYS 4 252.152 5.959 7.396
39 HG3 LYS 4 2HG LYS 4 250.889 5.454 6.273
40 HD2 LYS 4 1HD LYS 4 251.473 7.395 4.832
41 HD3 LYS 4 2HD LYS 4 252.813 7.752 5.924
42 HE2 LYS 4 1HE LYS 4 253.727 5.503 5.475
43 HE3 LYS 4 2HE LYS 4 252.425 5.228 4.322
44 HZ1 LYS 4 1HZ LYS 4 254.360 5.910 3.141
45 HZ2 LYS 4 2HZ LYS 4 254.576 7.262 4.127
46 HZ3 LYS 4 3HZ LYS 4 253.253 7.186 3.077
47 H ARG 5 H ARG 5 247.280 6.495 7.298
48 HA ARG 5 HA ARG 5 247.523 4.193 5.598
49 HB2 ARG 5 1HB ARG 5 245.587 3.315 6.749
50 HB3 ARG 5 2HB ARG 5 246.727 3.975 7.908
51 HG2 ARG 5 1HG ARG 5 245.353 5.967 8.151
52 HG3 ARG 5 2HG ARG 5 244.222 5.339 6.949
53 HD2 ARG 5 1HD ARG 5 243.385 4.928 9.194
54 HD3 ARG 5 2HD ARG 5 243.778 3.408 8.392
55 HE ARG 5 HE ARG 5 245.624 4.675 10.312
56 HH11 ARG 5 1HH1 ARG 5 243.818 1.887 9.195
57 HH12 ARG 5 2HH1 ARG 5 244.520 0.808 10.353
58 HH21 ARG 5 1HH2 ARG 5 246.569 3.251 11.822
59 HH22 ARG 5 2HH2 ARG 5 246.103 1.580 11.840
60 H THR 6 H THR 6 246.842 6.972 4.527
61 HA THR 6 HA THR 6 244.561 6.149 2.867
62 HB THR 6 HB THR 6 245.910 8.851 2.866
63 HG1 THR 6 HG1 THR 6 245.119 8.947 4.841
64 HG21 THR 6 1HG2 THR 6 243.765 9.607 1.952
65 HG22 THR 6 2HG2 THR 6 243.150 7.956 2.027
66 HG23 THR 6 3HG2 THR 6 244.484 8.352 0.941
67 H TYR 7 H TYR 7 247.917 6.420 3.006
68 HA TYR 7 HA TYR 7 248.202 6.316 0.087
69 HB2 TYR 7 1HB TYR 7 250.208 7.008 2.245
70 HB3 TYR 7 2HB TYR 7 250.614 6.828 0.541
71 HD1 TYR 7 HD1 TYR 7 249.612 8.396 -1.125
72 HD2 TYR 7 HD2 TYR 7 249.259 9.013 3.070
73 HE1 TYR 7 HE1 TYR 7 249.048 10.751 -1.523
74 HE2 TYR 7 HE2 TYR 7 248.685 11.370 2.682
75 HH TYR 7 HH TYR 7 247.737 12.576 -0.246
76 H CYS 8 H CYS 8 249.351 4.681 -0.850
77 HA CYS 8 HA CYS 8 248.975 2.139 0.142
78 HB2 CYS 8 1HB CYS 8 249.298 2.460 -2.178
79 HB3 CYS 8 2HB CYS 8 250.885 3.176 -1.937
80 H THR 9 H THR 9 249.911 0.919 1.542
81 HA THR 9 HA THR 9 252.038 1.806 3.172
82 HB THR 9 HB THR 9 250.917 -0.991 2.959
83 HG1 THR 9 HG1 THR 9 249.141 0.201 3.349
84 HG21 THR 9 1HG2 THR 9 252.920 -0.804 4.352
85 HG22 THR 9 2HG2 THR 9 251.493 -1.137 5.334
86 HG23 THR 9 3HG2 THR 9 252.162 0.494 5.275
87 H TYR 10 H TYR 10 251.950 -0.041 0.246
88 HA TYR 10 HA TYR 10 254.641 -1.098 0.689
89 HB2 TYR 10 1HB TYR 10 252.511 -1.707 -1.343
90 HB3 TYR 10 2HB TYR 10 254.170 -2.266 -1.546
91 HD1 TYR 10 HD1 TYR 10 254.782 -4.303 -0.647
92 HD2 TYR 10 HD2 TYR 10 251.417 -2.263 0.959
93 HE1 TYR 10 HE1 TYR 10 254.330 -6.219 0.828
94 HE2 TYR 10 HE2 TYR 10 250.956 -4.160 2.435
95 HH TYR 10 HH TYR 10 253.156 -6.636 3.011
96 H CYS 11 H CYS 11 253.453 1.698 -0.324
97 HA CYS 11 HA CYS 11 255.520 2.025 -2.381
98 HB2 CYS 11 1HB CYS 11 252.841 3.271 -2.003
99 HB3 CYS 11 2HB CYS 11 254.108 4.234 -2.755
100 HA PRO 12 HA PRO 12 257.882 4.338 0.568
101 HB2 PRO 12 1HB PRO 12 258.932 5.720 -1.834
102 HB3 PRO 12 2HB PRO 12 259.801 4.843 -0.574
103 HG2 PRO 12 1HG PRO 12 259.476 3.807 -3.018
104 HG3 PRO 12 2HG PRO 12 259.441 2.789 -1.566
105 HD2 PRO 12 1HD PRO 12 257.183 3.756 -3.262
106 HD3 PRO 12 2HD PRO 12 257.396 2.198 -2.437
107 H SER 13 H SER 13 257.944 6.375 1.476
108 HA SER 13 HA SER 13 255.646 7.970 1.051
109 HB2 SER 13 1HB SER 13 258.100 8.592 2.706
110 HB3 SER 13 2HB SER 13 256.517 9.358 2.854
111 HG SER 13 HG SER 13 257.319 7.257 4.131
112 H LYS 14 H LYS 14 258.693 8.027 -0.459
113 HA LYS 14 HA LYS 14 258.474 10.794 -1.279
114 HB2 LYS 14 1HB LYS 14 260.360 8.580 -2.081
115 HB3 LYS 14 2HB LYS 14 260.410 10.191 -2.779
116 HG2 LYS 14 1HG LYS 14 260.796 9.529 0.130
117 HG3 LYS 14 2HG LYS 14 262.073 9.920 -1.023
118 HD2 LYS 14 1HD LYS 14 260.904 12.119 -1.402
119 HD3 LYS 14 2HD LYS 14 259.866 11.714 -0.036
120 HE2 LYS 14 1HE LYS 14 261.663 13.139 0.713
121 HE3 LYS 14 2HE LYS 14 261.864 11.526 1.393
122 HZ1 LYS 14 1HZ LYS 14 263.954 12.436 0.578
123 HZ2 LYS 14 2HZ LYS 14 263.310 12.577 -0.980
124 HZ3 LYS 14 3HZ LYS 14 263.520 11.050 -0.286
125 H ILE 15 H ILE 15 257.162 7.836 -2.230
126 HA ILE 15 HA ILE 15 256.742 8.708 -4.994
127 HB ILE 15 HB ILE 15 255.967 6.083 -3.708
128 HG12 ILE 15 1HG1 ILE 15 258.397 6.350 -3.695
129 HG13 ILE 15 2HG1 ILE 15 257.922 5.138 -4.879
130 HG21 ILE 15 1HG2 ILE 15 255.663 5.272 -5.963
131 HG22 ILE 15 2HG2 ILE 15 256.163 6.830 -6.620
132 HG23 ILE 15 3HG2 ILE 15 254.662 6.702 -5.704
133 HD11 ILE 15 1HD1 ILE 15 259.681 6.543 -5.750
134 HD12 ILE 15 2HD1 ILE 15 258.707 7.984 -5.457
135 HD13 ILE 15 3HD1 ILE 15 258.192 6.801 -6.660
136 H ARG 16 H ARG 16 254.919 7.601 -2.163
137 HA ARG 16 HA ARG 16 252.802 7.958 -1.441
138 HB2 ARG 16 1HB ARG 16 253.305 10.588 -2.824
139 HB3 ARG 16 2HB ARG 16 251.926 10.278 -1.775
140 HG2 ARG 16 1HG ARG 16 253.452 9.778 0.069
141 HG3 ARG 16 2HG ARG 16 254.823 10.127 -0.983
142 HD2 ARG 16 1HD ARG 16 253.939 12.426 -1.282
143 HD3 ARG 16 2HD ARG 16 252.675 12.048 -0.110
144 HE ARG 16 HE ARG 16 255.467 11.715 0.695
145 HH11 ARG 16 1HH1 ARG 16 252.476 13.525 0.926
146 HH12 ARG 16 2HH1 ARG 16 252.943 14.353 2.378
147 HH21 ARG 16 1HH2 ARG 16 256.082 12.805 2.595
148 HH22 ARG 16 2HH2 ARG 16 255.002 13.954 3.319
149 H ARG 17 H ARG 17 252.105 6.255 -2.901
150 HA ARG 17 HA ARG 17 250.351 7.202 -5.044
151 HB2 ARG 17 1HB ARG 17 251.009 4.373 -4.175
152 HB3 ARG 17 2HB ARG 17 250.013 4.809 -5.556
153 HG2 ARG 17 1HG ARG 17 252.917 5.536 -5.262
154 HG3 ARG 17 2HG ARG 17 252.325 4.125 -6.137
155 HD2 ARG 17 1HD ARG 17 251.602 6.985 -6.772
156 HD3 ARG 17 2HD ARG 17 252.829 6.045 -7.613
157 HE ARG 17 HE ARG 17 250.618 4.495 -7.844
158 HH11 ARG 17 1HH1 ARG 17 251.273 7.868 -8.522
159 HH12 ARG 17 2HH1 ARG 17 250.159 7.952 -9.849
160 HH21 ARG 17 1HH2 ARG 17 249.152 4.593 -9.595
161 HH22 ARG 17 2HH2 ARG 17 248.946 6.090 -10.458
162 H LYS 18 H LYS 18 248.303 7.638 -4.564
163 HA LYS 18 HA LYS 18 247.186 7.252 -2.019
164 HB2 LYS 18 1HB LYS 18 245.919 7.854 -4.692
165 HB3 LYS 18 2HB LYS 18 244.968 7.702 -3.225
166 HG2 LYS 18 1HG LYS 18 245.337 10.013 -3.601
167 HG3 LYS 18 2HG LYS 18 246.349 9.538 -2.237
168 HD2 LYS 18 1HD LYS 18 248.306 9.509 -3.614
169 HD3 LYS 18 2HD LYS 18 247.342 9.734 -5.074
170 HE2 LYS 18 1HE LYS 18 247.488 11.731 -2.823
171 HE3 LYS 18 2HE LYS 18 248.504 11.793 -4.262
172 HZ1 LYS 18 1HZ LYS 18 245.537 11.906 -4.250
173 HZ2 LYS 18 2HZ LYS 18 246.526 12.005 -5.618
174 HZ3 LYS 18 3HZ LYS 18 246.566 13.231 -4.455
175 H ALA 19 H ALA 19 246.161 5.583 -1.106
176 HA ALA 19 HA ALA 19 246.242 3.060 -2.467
177 HB1 ALA 19 1HB ALA 19 246.800 3.272 -0.089
178 HB2 ALA 19 2HB ALA 19 245.500 2.116 -0.375
179 HB3 ALA 19 3HB ALA 19 245.128 3.723 0.251
180 H ASN 20 H ASN 20 244.749 2.648 -3.964
181 HA ASN 20 HA ASN 20 242.004 3.554 -3.596
182 HB2 ASN 20 1HB ASN 20 243.418 2.235 -5.915
183 HB3 ASN 20 2HB ASN 20 241.682 2.488 -5.892
184 HD21 ASN 20 1HD2 ASN 20 244.031 4.741 -4.561
185 HD22 ASN 20 2HD2 ASN 20 243.755 5.990 -5.725
186 H ALA 21 H ALA 21 243.838 0.945 -2.754
187 HA ALA 21 HA ALA 21 241.462 -0.727 -2.405
188 HB1 ALA 21 1HB ALA 21 244.097 -1.674 -3.534
189 HB2 ALA 21 2HB ALA 21 242.548 -1.621 -4.374
190 HB3 ALA 21 3HB ALA 21 242.781 -2.732 -3.025
191 H SER 22 H SER 22 242.002 -2.558 -0.825
192 HA SER 22 HA SER 22 244.139 -1.882 1.021
193 HB2 SER 22 1HB SER 22 242.467 -1.984 2.947
194 HB3 SER 22 2HB SER 22 242.437 -0.527 1.956
195 HG SER 22 HG SER 22 240.597 -1.217 0.971
196 H CYS 23 H CYS 23 244.777 -3.563 2.339
197 HA CYS 23 HA CYS 23 243.866 -6.212 1.591
198 HB2 CYS 23 1HB CYS 23 246.284 -5.734 1.923
199 HB3 CYS 23 2HB CYS 23 245.957 -5.347 3.607
200 H LYS 24 H LYS 24 241.856 -6.515 2.446
201 HA LYS 24 HA LYS 24 240.960 -5.462 4.893
202 HB2 LYS 24 1HB LYS 24 239.938 -7.691 3.144
203 HB3 LYS 24 2HB LYS 24 239.143 -7.268 4.650
204 HG2 LYS 24 1HG LYS 24 237.991 -6.185 2.866
205 HG3 LYS 24 2HG LYS 24 238.857 -4.954 3.784
206 HD2 LYS 24 1HD LYS 24 240.638 -4.960 2.100
207 HD3 LYS 24 2HD LYS 24 239.762 -6.185 1.181
208 HE2 LYS 24 1HE LYS 24 238.755 -3.414 1.816
209 HE3 LYS 24 2HE LYS 24 239.445 -3.921 0.278
210 HZ1 LYS 24 1HZ LYS 24 237.038 -3.931 0.213
211 HZ2 LYS 24 2HZ LYS 24 236.977 -5.015 1.507
212 HZ3 LYS 24 3HZ LYS 24 237.638 -5.501 0.028
213 H LYS 25 H LYS 25 242.833 -8.230 4.156
214 HA LYS 25 HA LYS 25 242.228 -9.896 6.322
215 HB2 LYS 25 1HB LYS 25 243.514 -10.548 4.289
216 HB3 LYS 25 2HB LYS 25 244.880 -9.626 4.901
217 HG2 LYS 25 1HG LYS 25 245.235 -11.941 5.379
218 HG3 LYS 25 2HG LYS 25 244.916 -11.098 6.895
219 HD2 LYS 25 1HD LYS 25 242.596 -11.867 6.838
220 HD3 LYS 25 2HD LYS 25 242.904 -12.696 5.312
221 HE2 LYS 25 1HE LYS 25 244.583 -14.095 6.439
222 HE3 LYS 25 2HE LYS 25 244.217 -13.289 7.962
223 HZ1 LYS 25 1HZ LYS 25 243.059 -15.399 7.770
224 HZ2 LYS 25 2HZ LYS 25 242.299 -14.884 6.351
225 HZ3 LYS 25 3HZ LYS 25 241.954 -14.120 7.820
226 H CYS 26 H CYS 26 244.520 -7.200 6.058
227 HA CYS 26 HA CYS 26 244.978 -7.461 8.960
228 HB2 CYS 26 1HB CYS 26 247.302 -6.808 8.660
229 HB3 CYS 26 2HB CYS 26 246.952 -8.241 7.697
230 H LYS 27 H LYS 27 243.779 -5.577 6.553
231 HA LYS 27 HA LYS 27 242.917 -3.504 6.467
232 HB2 LYS 27 1HB LYS 27 243.756 -3.312 9.360
233 HB3 LYS 27 2HB LYS 27 242.740 -2.144 8.527
234 HG2 LYS 27 1HG LYS 27 242.081 -5.037 9.052
235 HG3 LYS 27 2HG LYS 27 241.381 -3.635 9.859
236 HD2 LYS 27 1HD LYS 27 240.495 -2.886 7.658
237 HD3 LYS 27 2HD LYS 27 241.097 -4.384 6.949
238 HE2 LYS 27 1HE LYS 27 239.033 -4.137 9.134
239 HE3 LYS 27 2HE LYS 27 238.731 -4.577 7.455
240 HZ1 LYS 27 1HZ LYS 27 240.074 -6.569 7.777
241 HZ2 LYS 27 2HZ LYS 27 238.784 -6.524 8.873
242 HZ3 LYS 27 3HZ LYS 27 240.345 -6.143 9.393
243 H LYS 28 H LYS 28 245.650 -3.992 5.694
244 HA LYS 28 HA LYS 28 246.764 -1.294 6.046
245 HB2 LYS 28 1HB LYS 28 248.050 -3.784 4.899
246 HB3 LYS 28 2HB LYS 28 248.824 -2.210 5.002
247 HG2 LYS 28 1HG LYS 28 247.882 -3.833 7.358
248 HG3 LYS 28 2HG LYS 28 249.543 -3.745 6.776
249 HD2 LYS 28 1HD LYS 28 249.514 -1.304 7.182
250 HD3 LYS 28 2HD LYS 28 247.893 -1.463 7.859
251 HE2 LYS 28 1HE LYS 28 249.559 -1.397 9.629
252 HE3 LYS 28 2HE LYS 28 248.758 -2.966 9.582
253 HZ1 LYS 28 1HZ LYS 28 251.436 -2.350 8.457
254 HZ2 LYS 28 2HZ LYS 28 250.669 -3.856 8.387
255 HZ3 LYS 28 3HZ LYS 28 251.132 -3.214 9.879
256 H VAL 29 H VAL 29 246.908 0.084 4.338
257 HA VAL 29 HA VAL 29 245.177 -0.583 2.111
258 HB VAL 29 HB VAL 29 245.309 1.819 1.563
259 HG11 VAL 29 1HG1 VAL 29 244.668 1.193 4.441
260 HG12 VAL 29 2HG1 VAL 29 243.579 1.029 3.064
261 HG13 VAL 29 3HG1 VAL 29 244.131 2.627 3.565
262 HG21 VAL 29 1HG2 VAL 29 246.436 3.362 3.083
263 HG22 VAL 29 2HG2 VAL 29 247.587 2.250 2.344
264 HG23 VAL 29 3HG2 VAL 29 247.065 1.999 4.009
265 H ILE 30 H ILE 30 245.700 -0.309 -0.089
266 HA ILE 30 HA ILE 30 248.549 -0.152 -0.763
267 HB ILE 30 HB ILE 30 248.249 -2.138 -2.304
268 HG12 ILE 30 1HG1 ILE 30 245.812 -2.539 -0.558
269 HG13 ILE 30 2HG1 ILE 30 245.826 -2.292 -2.298
270 HG21 ILE 30 1HG2 ILE 30 248.708 -3.774 -0.537
271 HG22 ILE 30 2HG2 ILE 30 248.127 -2.626 0.669
272 HG23 ILE 30 3HG2 ILE 30 249.573 -2.260 -0.270
273 HD11 ILE 30 1HD1 ILE 30 246.878 -4.683 -0.807
274 HD12 ILE 30 2HD1 ILE 30 247.019 -4.436 -2.547
275 HD13 ILE 30 3HD1 ILE 30 245.426 -4.606 -1.808
276 H CYS 31 H CYS 31 248.922 0.098 -3.090
277 HA CYS 31 HA CYS 31 246.945 1.935 -4.185
278 HB2 CYS 31 1HB CYS 31 248.707 2.667 -5.670
279 HB3 CYS 31 2HB CYS 31 249.364 2.567 -4.045
280 H ARG 32 H ARG 32 246.845 1.911 -6.696
281 HA ARG 32 HA ARG 32 245.725 -0.573 -7.503
282 HB2 ARG 32 1HB ARG 32 246.408 1.888 -9.109
283 HB3 ARG 32 2HB ARG 32 245.480 0.526 -9.715
284 HG2 ARG 32 1HG ARG 32 243.792 0.944 -7.971
285 HG3 ARG 32 2HG ARG 32 244.711 2.362 -7.464
286 HD2 ARG 32 1HD ARG 32 243.452 1.910 -10.166
287 HD3 ARG 32 2HD ARG 32 242.887 3.016 -8.917
288 HE ARG 32 HE ARG 32 245.572 3.385 -10.031
289 HH11 ARG 32 1HH1 ARG 32 242.274 4.506 -9.671
290 HH12 ARG 32 2HH1 ARG 32 242.608 6.085 -10.311
291 HH21 ARG 32 1HH2 ARG 32 246.008 5.471 -10.874
292 HH22 ARG 32 2HH2 ARG 32 244.724 6.632 -10.988
293 H GLU 33 H GLU 33 248.880 0.700 -7.564
294 HA GLU 33 HA GLU 33 249.827 -1.063 -9.653
295 HB2 GLU 33 1HB GLU 33 251.322 0.715 -7.712
296 HB3 GLU 33 2HB GLU 33 252.076 -0.208 -9.001
297 HG2 GLU 33 1HG GLU 33 251.894 2.028 -9.746
298 HG3 GLU 33 2HG GLU 33 250.697 1.088 -10.629
299 H HIS 34 H HIS 34 249.005 -1.337 -6.428
300 HA HIS 34 HA HIS 34 250.622 -3.774 -6.122
301 HB2 HIS 34 1HB HIS 34 250.296 -1.536 -4.117
302 HB3 HIS 34 2HB HIS 34 250.749 -3.161 -3.625
303 HD2 HIS 34 HD2 HIS 34 252.949 -3.653 -6.053
304 HE1 HIS 34 HE1 HIS 34 254.870 -0.375 -4.190
305 HE2 HIS 34 HE2 HIS 34 255.208 -2.485 -5.559
306 H ASN 35 H ASN 35 247.795 -3.353 -6.904
307 HA ASN 35 HA ASN 35 246.376 -4.026 -4.457
308 HB2 ASN 35 1HB ASN 35 244.283 -3.859 -5.853
309 HB3 ASN 35 2HB ASN 35 245.186 -2.378 -5.611
310 HD21 ASN 35 1HD2 ASN 35 246.271 -4.754 -7.948
311 HD22 ASN 35 2HD2 ASN 35 245.843 -3.826 -9.346
312 H ILE 36 H ILE 36 246.435 -6.017 -3.856
313 HA ILE 36 HA ILE 36 245.568 -8.075 -5.788
314 HB ILE 36 HB ILE 36 246.694 -8.616 -3.036
315 HG12 ILE 36 1HG1 ILE 36 248.302 -8.535 -5.599
316 HG13 ILE 36 2HG1 ILE 36 248.337 -7.278 -4.366
317 HG21 ILE 36 1HG2 ILE 36 246.546 -10.309 -5.527
318 HG22 ILE 36 2HG2 ILE 36 245.509 -10.450 -4.108
319 HG23 ILE 36 3HG2 ILE 36 247.231 -10.808 -3.980
320 HD11 ILE 36 1HD1 ILE 36 250.243 -8.758 -4.154
321 HD12 ILE 36 2HD1 ILE 36 249.168 -10.147 -3.991
322 HD13 ILE 36 3HD1 ILE 36 249.190 -8.898 -2.746
323 H ASP 37 H ASP 37 244.255 -5.907 -3.908
324 HA ASP 37 HA ASP 37 242.738 -5.630 -2.240
325 HB2 ASP 37 1HB ASP 37 241.733 -8.034 -3.695
326 HB3 ASP 37 2HB ASP 37 240.984 -7.624 -2.154
327 H MET 38 H MET 38 245.188 -7.082 -1.897
328 HA MET 38 HA MET 38 245.006 -7.853 0.811
329 HB2 MET 38 1HB MET 38 244.143 -9.941 -0.199
330 HB3 MET 38 2HB MET 38 245.557 -10.024 -1.239
331 HG2 MET 38 1HG MET 38 246.996 -10.385 0.646
332 HG3 MET 38 2HG MET 38 245.660 -10.126 1.767
333 HE1 MET 38 1HE MET 38 243.437 -13.265 1.209
334 HE2 MET 38 2HE MET 38 243.258 -11.699 0.419
335 HE3 MET 38 3HE MET 38 243.677 -11.781 2.130
336 H CYS 39 H CYS 39 247.098 -7.818 1.675
337 HA CYS 39 HA CYS 39 248.997 -6.538 -0.106
338 HB2 CYS 39 1HB CYS 39 250.070 -5.729 1.812
339 HB3 CYS 39 2HB CYS 39 248.370 -5.730 2.265
340 H GLN 40 H GLN 40 251.264 -7.158 -0.045
341 HA GLN 40 HA GLN 40 251.471 -9.864 -0.812
342 HB2 GLN 40 1HB GLN 40 253.670 -7.846 -0.360
343 HB3 GLN 40 2HB GLN 40 253.835 -9.368 -1.223
344 HG2 GLN 40 1HG GLN 40 252.161 -8.565 -2.860
345 HG3 GLN 40 2HG GLN 40 252.154 -7.010 -2.031
346 HE21 GLN 40 1HE2 GLN 40 253.975 -9.183 -4.030
347 HE22 GLN 40 2HE2 GLN 40 255.191 -8.050 -4.505
348 H SER 41 H SER 41 251.784 -8.393 2.240
349 HA SER 41 HA SER 41 253.559 -10.372 3.333
350 HB2 SER 41 1HB SER 41 251.792 -8.327 4.693
351 HB3 SER 41 2HB SER 41 252.991 -9.330 5.509
352 HG SER 41 HG SER 41 254.587 -8.360 4.177
353 H CYS 42 H CYS 42 250.101 -9.970 2.985
354 HA CYS 42 HA CYS 42 249.576 -12.339 4.609
355 HB2 CYS 42 1HB CYS 42 247.667 -10.549 3.083
356 HB3 CYS 42 2HB CYS 42 247.185 -11.906 4.092
357 H PHE 43 H PHE 43 250.143 -11.450 1.369
358 HA PHE 43 HA PHE 43 248.774 -13.737 0.227
359 HB2 PHE 43 1HB PHE 43 248.820 -11.497 -0.901
360 HB3 PHE 43 2HB PHE 43 250.550 -11.707 -1.142
361 HD1 PHE 43 HD1 PHE 43 247.240 -13.124 -1.977
362 HD2 PHE 43 HD2 PHE 43 251.375 -12.941 -2.960
363 HE1 PHE 43 HE1 PHE 43 246.788 -14.314 -4.080
364 HE2 PHE 43 HE2 PHE 43 250.930 -14.131 -5.067
365 HZ PHE 43 HZ PHE 43 248.635 -14.817 -5.629
Start of MODEL 7
1 H1 VAL 1 1H VAL 1 243.047 12.388 10.766
2 H2 VAL 1 2H VAL 1 242.221 13.615 11.582
3 H3 VAL 1 3H VAL 1 243.579 12.901 12.286
4 HA VAL 1 HA VAL 1 243.584 14.492 9.792
5 HB VAL 1 HB VAL 1 244.841 16.178 11.125
6 HG11 VAL 1 1HG1 VAL 1 242.893 17.119 12.264
7 HG12 VAL 1 2HG1 VAL 1 242.068 15.566 12.144
8 HG13 VAL 1 3HG1 VAL 1 242.457 16.473 10.682
9 HG21 VAL 1 1HG2 VAL 1 245.617 14.716 12.923
10 HG22 VAL 1 2HG2 VAL 1 243.957 14.519 13.487
11 HG23 VAL 1 3HG2 VAL 1 244.733 16.101 13.566
12 H MET 2 H MET 2 244.734 11.804 10.451
13 HA MET 2 HA MET 2 247.481 12.465 9.684
14 HB2 MET 2 1HB MET 2 247.470 11.905 12.102
15 HB3 MET 2 2HB MET 2 246.725 10.360 11.726
16 HG2 MET 2 1HG MET 2 248.709 9.706 10.460
17 HG3 MET 2 2HG MET 2 249.457 11.258 10.835
18 HE1 MET 2 1HE MET 2 251.608 10.007 11.829
19 HE2 MET 2 2HE MET 2 250.853 8.473 11.398
20 HE3 MET 2 3HE MET 2 251.500 8.713 13.021
21 H LYS 3 H LYS 3 246.761 11.992 7.572
22 HA LYS 3 HA LYS 3 245.538 9.433 7.025
23 HB2 LYS 3 1HB LYS 3 246.351 11.705 5.212
24 HB3 LYS 3 2HB LYS 3 245.553 10.240 4.659
25 HG2 LYS 3 1HG LYS 3 243.611 10.737 5.992
26 HG3 LYS 3 2HG LYS 3 244.412 12.147 6.687
27 HD2 LYS 3 1HD LYS 3 244.539 13.155 4.453
28 HD3 LYS 3 2HD LYS 3 243.701 11.753 3.783
29 HE2 LYS 3 1HE LYS 3 242.185 13.654 4.162
30 HE3 LYS 3 2HE LYS 3 241.745 12.246 5.123
31 HZ1 LYS 3 1HZ LYS 3 243.345 14.518 6.160
32 HZ2 LYS 3 2HZ LYS 3 242.696 13.236 7.052
33 HZ3 LYS 3 3HZ LYS 3 241.671 14.380 6.352
34 H LYS 4 H LYS 4 247.552 8.413 7.971
35 HA LYS 4 HA LYS 4 249.835 8.263 6.228
36 HB2 LYS 4 1HB LYS 4 250.074 8.016 8.672
37 HB3 LYS 4 2HB LYS 4 249.087 6.563 8.616
38 HG2 LYS 4 1HG LYS 4 251.444 6.009 8.778
39 HG3 LYS 4 2HG LYS 4 250.774 5.461 7.240
40 HD2 LYS 4 1HD LYS 4 251.687 7.474 6.154
41 HD3 LYS 4 2HD LYS 4 252.398 7.963 7.690
42 HE2 LYS 4 1HE LYS 4 253.773 5.952 7.706
43 HE3 LYS 4 2HE LYS 4 253.033 5.423 6.194
44 HZ1 LYS 4 1HZ LYS 4 253.934 7.410 5.123
45 HZ2 LYS 4 2HZ LYS 4 255.160 6.456 5.783
46 HZ3 LYS 4 3HZ LYS 4 254.677 7.867 6.573
47 H ARG 5 H ARG 5 247.017 6.326 6.985
48 HA ARG 5 HA ARG 5 247.789 4.311 5.024
49 HB2 ARG 5 1HB ARG 5 245.485 4.431 6.972
50 HB3 ARG 5 2HB ARG 5 245.732 3.123 5.822
51 HG2 ARG 5 1HG ARG 5 247.904 2.647 6.858
52 HG3 ARG 5 2HG ARG 5 247.604 3.927 8.035
53 HD2 ARG 5 1HD ARG 5 245.636 2.733 8.841
54 HD3 ARG 5 2HD ARG 5 245.908 1.463 7.646
55 HE ARG 5 HE ARG 5 248.172 1.907 9.345
56 HH11 ARG 5 1HH1 ARG 5 245.088 0.271 9.120
57 HH12 ARG 5 2HH1 ARG 5 245.540 -0.989 10.224
58 HH21 ARG 5 1HH2 ARG 5 248.761 0.247 10.801
59 HH22 ARG 5 2HH2 ARG 5 247.623 -1.012 11.167
60 H THR 6 H THR 6 247.279 6.852 4.035
61 HA THR 6 HA THR 6 244.887 6.312 2.408
62 HB THR 6 HB THR 6 246.235 8.979 2.896
63 HG1 THR 6 HG1 THR 6 244.880 7.800 4.618
64 HG21 THR 6 1HG2 THR 6 243.647 8.305 1.487
65 HG22 THR 6 2HG2 THR 6 245.133 8.856 0.713
66 HG23 THR 6 3HG2 THR 6 244.256 9.930 1.802
67 H TYR 7 H TYR 7 248.265 6.742 2.530
68 HA TYR 7 HA TYR 7 248.481 6.627 -0.393
69 HB2 TYR 7 1HB TYR 7 250.501 7.392 1.727
70 HB3 TYR 7 2HB TYR 7 250.914 7.160 0.031
71 HD1 TYR 7 HD1 TYR 7 248.993 9.251 2.386
72 HD2 TYR 7 HD2 TYR 7 250.428 8.827 -1.596
73 HE1 TYR 7 HE1 TYR 7 248.393 11.587 1.929
74 HE2 TYR 7 HE2 TYR 7 249.842 11.163 -2.063
75 HH TYR 7 HH TYR 7 248.225 12.879 -1.159
76 H CYS 8 H CYS 8 249.750 5.023 -1.332
77 HA CYS 8 HA CYS 8 249.271 2.473 -0.370
78 HB2 CYS 8 1HB CYS 8 249.657 2.865 -2.695
79 HB3 CYS 8 2HB CYS 8 251.278 3.461 -2.389
80 H THR 9 H THR 9 250.125 1.281 1.131
81 HA THR 9 HA THR 9 252.367 2.067 2.674
82 HB THR 9 HB THR 9 250.969 -0.616 2.572
83 HG1 THR 9 HG1 THR 9 250.057 1.771 3.312
84 HG21 THR 9 1HG2 THR 9 251.758 -0.869 4.875
85 HG22 THR 9 2HG2 THR 9 252.611 0.671 4.757
86 HG23 THR 9 3HG2 THR 9 253.110 -0.693 3.757
87 H TYR 10 H TYR 10 251.910 -0.109 -0.024
88 HA TYR 10 HA TYR 10 254.452 -1.389 0.146
89 HB2 TYR 10 1HB TYR 10 252.250 -1.270 -1.857
90 HB3 TYR 10 2HB TYR 10 253.836 -1.790 -2.413
91 HD1 TYR 10 HD1 TYR 10 252.213 -2.463 0.869
92 HD2 TYR 10 HD2 TYR 10 253.534 -4.049 -2.850
93 HE1 TYR 10 HE1 TYR 10 251.774 -4.737 1.690
94 HE2 TYR 10 HE2 TYR 10 253.101 -6.328 -2.040
95 HH TYR 10 HH TYR 10 251.408 -6.943 0.912
96 H CYS 11 H CYS 11 253.298 1.574 -1.200
97 HA CYS 11 HA CYS 11 255.755 2.037 -2.691
98 HB2 CYS 11 1HB CYS 11 253.176 3.546 -2.387
99 HB3 CYS 11 2HB CYS 11 254.599 4.342 -3.037
100 HA PRO 12 HA PRO 12 257.743 4.222 0.692
101 HB2 PRO 12 1HB PRO 12 259.002 5.762 -1.500
102 HB3 PRO 12 2HB PRO 12 259.760 4.844 -0.198
103 HG2 PRO 12 1HG PRO 12 259.749 3.960 -2.736
104 HG3 PRO 12 2HG PRO 12 259.654 2.856 -1.354
105 HD2 PRO 12 1HD PRO 12 257.510 3.749 -3.220
106 HD3 PRO 12 2HD PRO 12 257.737 2.179 -2.422
107 H SER 13 H SER 13 257.247 6.108 1.725
108 HA SER 13 HA SER 13 254.955 7.495 0.882
109 HB2 SER 13 1HB SER 13 256.954 8.293 3.005
110 HB3 SER 13 2HB SER 13 255.315 8.918 2.845
111 HG SER 13 HG SER 13 255.720 6.145 3.036
112 H LYS 14 H LYS 14 258.285 8.060 0.217
113 HA LYS 14 HA LYS 14 258.079 10.821 -0.450
114 HB2 LYS 14 1HB LYS 14 260.089 8.712 -1.235
115 HB3 LYS 14 2HB LYS 14 260.239 10.410 -1.659
116 HG2 LYS 14 1HG LYS 14 260.107 9.344 1.151
117 HG3 LYS 14 2HG LYS 14 261.588 9.780 0.295
118 HD2 LYS 14 1HD LYS 14 260.611 12.080 0.008
119 HD3 LYS 14 2HD LYS 14 259.325 11.591 1.113
120 HE2 LYS 14 1HE LYS 14 262.270 11.573 1.753
121 HE3 LYS 14 2HE LYS 14 261.138 12.834 2.233
122 HZ1 LYS 14 1HZ LYS 14 259.912 11.181 3.511
123 HZ2 LYS 14 2HZ LYS 14 261.518 11.277 4.024
124 HZ3 LYS 14 3HZ LYS 14 261.019 9.984 3.060
125 H ILE 15 H ILE 15 257.064 7.967 -2.016
126 HA ILE 15 HA ILE 15 257.305 8.987 -4.704
127 HB ILE 15 HB ILE 15 255.797 6.567 -3.702
128 HG12 ILE 15 1HG1 ILE 15 258.133 6.319 -3.195
129 HG13 ILE 15 2HG1 ILE 15 257.772 5.316 -4.594
130 HG21 ILE 15 1HG2 ILE 15 255.887 5.785 -6.016
131 HG22 ILE 15 2HG2 ILE 15 256.638 7.304 -6.501
132 HG23 ILE 15 3HG2 ILE 15 254.988 7.297 -5.878
133 HD11 ILE 15 1HD1 ILE 15 258.698 7.091 -6.043
134 HD12 ILE 15 2HD1 ILE 15 259.874 6.413 -4.920
135 HD13 ILE 15 3HD1 ILE 15 259.153 7.988 -4.594
136 H ARG 16 H ARG 16 255.010 9.095 -2.168
137 HA ARG 16 HA ARG 16 253.038 10.189 -1.892
138 HB2 ARG 16 1HB ARG 16 253.717 11.493 -4.536
139 HB3 ARG 16 2HB ARG 16 252.525 12.066 -3.376
140 HG2 ARG 16 1HG ARG 16 255.457 11.804 -2.759
141 HG3 ARG 16 2HG ARG 16 254.706 13.285 -3.356
142 HD2 ARG 16 1HD ARG 16 253.897 11.841 -0.835
143 HD3 ARG 16 2HD ARG 16 254.972 13.238 -0.891
144 HE ARG 16 HE ARG 16 252.498 13.761 -2.203
145 HH11 ARG 16 1HH1 ARG 16 253.964 13.514 0.967
146 HH12 ARG 16 2HH1 ARG 16 252.856 14.628 1.703
147 HH21 ARG 16 1HH2 ARG 16 251.045 15.221 -1.244
148 HH22 ARG 16 2HH2 ARG 16 251.199 15.602 0.441
149 H ARG 17 H ARG 17 253.012 7.630 -3.138
150 HA ARG 17 HA ARG 17 251.153 7.762 -5.358
151 HB2 ARG 17 1HB ARG 17 253.043 6.102 -5.249
152 HB3 ARG 17 2HB ARG 17 252.206 5.323 -3.915
153 HG2 ARG 17 1HG ARG 17 251.655 4.050 -5.791
154 HG3 ARG 17 2HG ARG 17 250.238 5.063 -5.509
155 HD2 ARG 17 1HD ARG 17 250.750 5.018 -7.873
156 HD3 ARG 17 2HD ARG 17 251.058 6.632 -7.237
157 HE ARG 17 HE ARG 17 253.435 5.131 -7.141
158 HH11 ARG 17 1HH1 ARG 17 251.289 6.599 -9.489
159 HH12 ARG 17 2HH1 ARG 17 252.541 6.848 -10.660
160 HH21 ARG 17 1HH2 ARG 17 255.077 5.458 -8.683
161 HH22 ARG 17 2HH2 ARG 17 254.699 6.211 -10.201
162 H LYS 18 H LYS 18 249.043 7.918 -5.031
163 HA LYS 18 HA LYS 18 247.896 7.600 -2.440
164 HB2 LYS 18 1HB LYS 18 246.649 8.083 -5.148
165 HB3 LYS 18 2HB LYS 18 245.716 7.987 -3.665
166 HG2 LYS 18 1HG LYS 18 246.000 10.272 -4.037
167 HG3 LYS 18 2HG LYS 18 247.202 9.878 -2.809
168 HD2 LYS 18 1HD LYS 18 248.941 9.803 -4.491
169 HD3 LYS 18 2HD LYS 18 247.756 10.087 -5.766
170 HE2 LYS 18 1HE LYS 18 248.466 11.988 -3.536
171 HE3 LYS 18 2HE LYS 18 248.970 12.128 -5.218
172 HZ1 LYS 18 1HZ LYS 18 246.583 12.274 -5.808
173 HZ2 LYS 18 2HZ LYS 18 247.127 13.562 -4.858
174 HZ3 LYS 18 3HZ LYS 18 246.208 12.330 -4.158
175 H ALA 19 H ALA 19 246.436 6.059 -1.719
176 HA ALA 19 HA ALA 19 246.593 3.508 -3.165
177 HB1 ALA 19 1HB ALA 19 246.252 2.415 -1.052
178 HB2 ALA 19 2HB ALA 19 245.978 3.963 -0.254
179 HB3 ALA 19 3HB ALA 19 247.571 3.574 -0.900
180 H ASN 20 H ASN 20 244.829 2.954 -4.237
181 HA ASN 20 HA ASN 20 242.213 3.747 -3.150
182 HB2 ASN 20 1HB ASN 20 242.971 2.988 -5.982
183 HB3 ASN 20 2HB ASN 20 241.325 3.294 -5.442
184 HD21 ASN 20 1HD2 ASN 20 244.372 4.693 -6.272
185 HD22 ASN 20 2HD2 ASN 20 243.855 6.341 -6.256
186 H ALA 21 H ALA 21 244.099 1.408 -2.612
187 HA ALA 21 HA ALA 21 241.987 -0.614 -2.583
188 HB1 ALA 21 1HB ALA 21 243.285 -1.232 -4.510
189 HB2 ALA 21 2HB ALA 21 243.668 -2.356 -3.206
190 HB3 ALA 21 3HB ALA 21 244.789 -1.058 -3.610
191 H SER 22 H SER 22 242.582 -2.409 -1.030
192 HA SER 22 HA SER 22 244.533 -1.722 0.991
193 HB2 SER 22 1HB SER 22 242.723 -1.777 2.795
194 HB3 SER 22 2HB SER 22 242.789 -0.326 1.798
195 HG SER 22 HG SER 22 241.192 -1.891 0.504
196 H CYS 23 H CYS 23 245.326 -3.523 1.940
197 HA CYS 23 HA CYS 23 244.237 -6.079 1.211
198 HB2 CYS 23 1HB CYS 23 246.651 -5.846 1.461
199 HB3 CYS 23 2HB CYS 23 246.456 -5.394 3.149
200 H LYS 24 H LYS 24 242.593 -7.026 2.205
201 HA LYS 24 HA LYS 24 241.496 -5.971 4.605
202 HB2 LYS 24 1HB LYS 24 240.131 -6.987 2.808
203 HB3 LYS 24 2HB LYS 24 240.837 -8.554 3.176
204 HG2 LYS 24 1HG LYS 24 238.619 -8.332 4.148
205 HG3 LYS 24 2HG LYS 24 239.852 -8.490 5.402
206 HD2 LYS 24 1HD LYS 24 239.830 -6.035 5.684
207 HD3 LYS 24 2HD LYS 24 238.532 -5.934 4.493
208 HE2 LYS 24 1HE LYS 24 237.070 -7.217 5.916
209 HE3 LYS 24 2HE LYS 24 238.376 -7.495 7.068
210 HZ1 LYS 24 1HZ LYS 24 237.143 -4.877 6.410
211 HZ2 LYS 24 2HZ LYS 24 238.456 -5.090 7.449
212 HZ3 LYS 24 3HZ LYS 24 236.953 -5.744 7.850
213 H LYS 25 H LYS 25 243.883 -8.340 3.953
214 HA LYS 25 HA LYS 25 243.590 -9.513 6.620
215 HB2 LYS 25 1HB LYS 25 245.179 -10.355 4.201
216 HB3 LYS 25 2HB LYS 25 245.379 -11.109 5.779
217 HG2 LYS 25 1HG LYS 25 243.035 -11.765 5.782
218 HG3 LYS 25 2HG LYS 25 242.804 -10.983 4.220
219 HD2 LYS 25 1HD LYS 25 244.761 -13.227 4.682
220 HD3 LYS 25 2HD LYS 25 243.098 -13.484 4.158
221 HE2 LYS 25 1HE LYS 25 243.563 -12.003 2.205
222 HE3 LYS 25 2HE LYS 25 245.252 -11.956 2.705
223 HZ1 LYS 25 1HZ LYS 25 243.842 -14.499 2.164
224 HZ2 LYS 25 2HZ LYS 25 245.512 -14.232 2.258
225 HZ3 LYS 25 3HZ LYS 25 244.629 -13.635 0.948
226 H CYS 26 H CYS 26 244.844 -6.808 5.698
227 HA CYS 26 HA CYS 26 246.937 -6.959 7.738
228 HB2 CYS 26 1HB CYS 26 247.330 -5.785 4.990
229 HB3 CYS 26 2HB CYS 26 248.367 -5.397 6.352
230 H LYS 27 H LYS 27 244.456 -5.238 6.116
231 HA LYS 27 HA LYS 27 243.405 -3.276 6.426
232 HB2 LYS 27 1HB LYS 27 244.874 -3.215 9.067
233 HB3 LYS 27 2HB LYS 27 243.545 -2.155 8.620
234 HG2 LYS 27 1HG LYS 27 242.105 -4.169 8.366
235 HG3 LYS 27 2HG LYS 27 243.437 -5.142 8.990
236 HD2 LYS 27 1HD LYS 27 242.067 -2.882 10.443
237 HD3 LYS 27 2HD LYS 27 241.814 -4.600 10.738
238 HE2 LYS 27 1HE LYS 27 244.152 -4.838 11.400
239 HE3 LYS 27 2HE LYS 27 244.422 -3.125 11.080
240 HZ1 LYS 27 1HZ LYS 27 242.595 -4.248 13.133
241 HZ2 LYS 27 2HZ LYS 27 242.802 -2.602 12.810
242 HZ3 LYS 27 3HZ LYS 27 244.088 -3.510 13.423
243 H LYS 28 H LYS 28 246.178 -3.557 5.342
244 HA LYS 28 HA LYS 28 247.131 -0.794 5.624
245 HB2 LYS 28 1HB LYS 28 248.516 -3.205 4.417
246 HB3 LYS 28 2HB LYS 28 249.211 -1.600 4.574
247 HG2 LYS 28 1HG LYS 28 248.362 -3.327 6.889
248 HG3 LYS 28 2HG LYS 28 250.010 -3.197 6.277
249 HD2 LYS 28 1HD LYS 28 249.945 -0.765 6.745
250 HD3 LYS 28 2HD LYS 28 248.343 -0.975 7.454
251 HE2 LYS 28 1HE LYS 28 250.061 -0.917 9.180
252 HE3 LYS 28 2HE LYS 28 249.273 -2.492 9.125
253 HZ1 LYS 28 1HZ LYS 28 251.884 -1.867 7.857
254 HZ2 LYS 28 2HZ LYS 28 251.146 -3.387 7.942
255 HZ3 LYS 28 3HZ LYS 28 251.698 -2.635 9.349
256 H VAL 29 H VAL 29 247.339 0.502 3.816
257 HA VAL 29 HA VAL 29 245.566 -0.276 1.647
258 HB VAL 29 HB VAL 29 245.650 2.102 0.991
259 HG11 VAL 29 1HG1 VAL 29 244.972 1.570 3.878
260 HG12 VAL 29 2HG1 VAL 29 243.913 1.341 2.488
261 HG13 VAL 29 3HG1 VAL 29 244.424 2.964 2.948
262 HG21 VAL 29 1HG2 VAL 29 247.370 2.416 3.448
263 HG22 VAL 29 2HG2 VAL 29 246.707 3.733 2.480
264 HG23 VAL 29 3HG2 VAL 29 247.895 2.634 1.779
265 H ILE 30 H ILE 30 246.115 -0.227 -0.509
266 HA ILE 30 HA ILE 30 248.959 0.089 -1.155
267 HB ILE 30 HB ILE 30 248.856 -1.955 -2.585
268 HG12 ILE 30 1HG1 ILE 30 246.253 -2.390 -1.100
269 HG13 ILE 30 2HG1 ILE 30 246.457 -2.188 -2.837
270 HG21 ILE 30 1HG2 ILE 30 248.428 -2.398 0.368
271 HG22 ILE 30 2HG2 ILE 30 249.957 -2.007 -0.419
272 HG23 ILE 30 3HG2 ILE 30 249.166 -3.549 -0.748
273 HD11 ILE 30 1HD1 ILE 30 246.090 -4.490 -2.410
274 HD12 ILE 30 2HD1 ILE 30 247.320 -4.514 -1.146
275 HD13 ILE 30 3HD1 ILE 30 247.794 -4.298 -2.829
276 H CYS 31 H CYS 31 249.356 0.422 -3.425
277 HA CYS 31 HA CYS 31 247.189 1.881 -4.676
278 HB2 CYS 31 1HB CYS 31 248.830 2.722 -6.217
279 HB3 CYS 31 2HB CYS 31 249.553 2.771 -4.620
280 H ARG 32 H ARG 32 246.339 1.397 -6.700
281 HA ARG 32 HA ARG 32 245.955 -1.361 -7.192
282 HB2 ARG 32 1HB ARG 32 245.237 1.038 -8.887
283 HB3 ARG 32 2HB ARG 32 244.664 -0.599 -9.169
284 HG2 ARG 32 1HG ARG 32 243.555 -0.582 -6.984
285 HG3 ARG 32 2HG ARG 32 244.108 1.074 -6.727
286 HD2 ARG 32 1HD ARG 32 242.285 0.130 -8.938
287 HD3 ARG 32 2HD ARG 32 241.792 1.023 -7.502
288 HE ARG 32 HE ARG 32 243.768 2.499 -8.842
289 HH11 ARG 32 1HH1 ARG 32 240.440 1.498 -9.244
290 HH12 ARG 32 2HH1 ARG 32 240.024 2.840 -10.260
291 HH21 ARG 32 1HH2 ARG 32 243.222 4.279 -10.166
292 HH22 ARG 32 2HH2 ARG 32 241.606 4.424 -10.785
293 H GLU 33 H GLU 33 248.330 0.840 -8.202
294 HA GLU 33 HA GLU 33 249.133 -0.531 -10.588
295 HB2 GLU 33 1HB GLU 33 249.577 1.912 -10.018
296 HB3 GLU 33 2HB GLU 33 250.803 1.336 -8.900
297 HG2 GLU 33 1HG GLU 33 251.875 1.979 -10.924
298 HG3 GLU 33 2HG GLU 33 251.934 0.222 -10.805
299 H HIS 34 H HIS 34 249.618 -0.901 -7.204
300 HA HIS 34 HA HIS 34 251.870 -2.730 -7.557
301 HB2 HIS 34 1HB HIS 34 250.757 -1.209 -5.312
302 HB3 HIS 34 2HB HIS 34 251.130 -2.877 -4.889
303 HD2 HIS 34 HD2 HIS 34 253.873 -3.070 -6.736
304 HE1 HIS 34 HE1 HIS 34 255.175 -0.031 -4.098
305 HE2 HIS 34 HE2 HIS 34 255.910 -1.921 -5.621
306 H ASN 35 H ASN 35 248.547 -2.709 -6.344
307 HA ASN 35 HA ASN 35 247.968 -5.197 -7.593
308 HB2 ASN 35 1HB ASN 35 249.152 -5.931 -5.451
309 HB3 ASN 35 2HB ASN 35 247.786 -5.242 -4.581
310 HD21 ASN 35 1HD2 ASN 35 248.894 -7.851 -6.551
311 HD22 ASN 35 2HD2 ASN 35 247.468 -8.822 -6.433
312 H ILE 36 H ILE 36 245.707 -5.754 -7.336
313 HA ILE 36 HA ILE 36 244.194 -3.326 -7.469
314 HB ILE 36 HB ILE 36 243.962 -5.200 -9.094
315 HG12 ILE 36 1HG1 ILE 36 241.459 -5.118 -9.190
316 HG13 ILE 36 2HG1 ILE 36 241.473 -4.325 -7.619
317 HG21 ILE 36 1HG2 ILE 36 244.074 -7.077 -7.570
318 HG22 ILE 36 2HG2 ILE 36 242.566 -7.128 -8.482
319 HG23 ILE 36 3HG2 ILE 36 242.565 -6.579 -6.806
320 HD11 ILE 36 1HD1 ILE 36 242.755 -3.256 -10.121
321 HD12 ILE 36 2HD1 ILE 36 242.697 -2.451 -8.553
322 HD13 ILE 36 3HD1 ILE 36 241.208 -2.738 -9.452
323 H ASP 37 H ASP 37 244.711 -5.704 -5.011
324 HA ASP 37 HA ASP 37 242.941 -4.401 -3.199
325 HB2 ASP 37 1HB ASP 37 241.247 -5.555 -4.534
326 HB3 ASP 37 2HB ASP 37 242.047 -7.092 -4.237
327 H MET 38 H MET 38 244.613 -7.461 -3.882
328 HA MET 38 HA MET 38 244.805 -7.961 -1.007
329 HB2 MET 38 1HB MET 38 245.380 -9.714 -3.399
330 HB3 MET 38 2HB MET 38 245.645 -10.212 -1.735
331 HG2 MET 38 1HG MET 38 243.273 -9.963 -1.263
332 HG3 MET 38 2HG MET 38 242.993 -9.416 -2.915
333 HE1 MET 38 1HE MET 38 241.073 -11.334 -3.109
334 HE2 MET 38 2HE MET 38 241.446 -11.805 -1.453
335 HE3 MET 38 3HE MET 38 241.379 -13.025 -2.723
336 H CYS 39 H CYS 39 246.830 -8.616 -0.045
337 HA CYS 39 HA CYS 39 249.171 -7.640 -1.532
338 HB2 CYS 39 1HB CYS 39 249.717 -6.208 0.096
339 HB3 CYS 39 2HB CYS 39 248.135 -6.507 0.787
340 H GLN 40 H GLN 40 250.995 -8.882 -1.449
341 HA GLN 40 HA GLN 40 250.496 -11.629 -0.637
342 HB2 GLN 40 1HB GLN 40 252.495 -12.145 -2.017
343 HB3 GLN 40 2HB GLN 40 251.225 -11.316 -2.906
344 HG2 GLN 40 1HG GLN 40 252.438 -9.220 -2.717
345 HG3 GLN 40 2HG GLN 40 253.695 -10.021 -1.779
346 HE21 GLN 40 1HE2 GLN 40 255.125 -11.409 -2.817
347 HE22 GLN 40 2HE2 GLN 40 255.301 -11.425 -4.537
348 H SER 41 H SER 41 251.225 -9.522 1.325
349 HA SER 41 HA SER 41 253.642 -10.824 2.385
350 HB2 SER 41 1HB SER 41 252.714 -7.997 2.937
351 HB3 SER 41 2HB SER 41 254.210 -8.743 3.501
352 HG SER 41 HG SER 41 253.515 -7.799 0.965
353 H CYS 42 H CYS 42 251.138 -11.945 2.785
354 HA CYS 42 HA CYS 42 251.113 -11.968 5.659
355 HB2 CYS 42 1HB CYS 42 248.574 -11.631 5.715
356 HB3 CYS 42 2HB CYS 42 249.582 -10.199 5.528
357 H PHE 43 H PHE 43 248.376 -12.828 3.665
358 HA PHE 43 HA PHE 43 249.035 -15.668 4.082
359 HB2 PHE 43 1HB PHE 43 246.271 -14.436 3.980
360 HB3 PHE 43 2HB PHE 43 246.645 -16.130 4.266
361 HD1 PHE 43 HD1 PHE 43 246.538 -12.788 5.708
362 HD2 PHE 43 HD2 PHE 43 247.533 -16.863 6.409
363 HE1 PHE 43 HE1 PHE 43 246.595 -12.348 8.124
364 HE2 PHE 43 HE2 PHE 43 247.597 -16.433 8.831
365 HZ PHE 43 HZ PHE 43 247.128 -14.174 9.692
Start of MODEL 8
1 H1 VAL 1 1H VAL 1 244.223 17.041 10.927
2 H2 VAL 1 2H VAL 1 243.453 16.345 12.259
3 H3 VAL 1 3H VAL 1 242.541 17.130 11.071
4 HA VAL 1 HA VAL 1 242.375 14.739 10.887
5 HB VAL 1 HB VAL 1 242.126 16.063 8.852
6 HG11 VAL 1 1HG1 VAL 1 245.109 15.767 8.539
7 HG12 VAL 1 2HG1 VAL 1 244.225 17.263 8.845
8 HG13 VAL 1 3HG1 VAL 1 244.014 16.409 7.315
9 HG21 VAL 1 1HG2 VAL 1 241.992 13.651 8.633
10 HG22 VAL 1 2HG2 VAL 1 243.737 13.554 8.399
11 HG23 VAL 1 3HG2 VAL 1 242.729 14.353 7.192
12 H MET 2 H MET 2 243.307 12.814 11.152
13 HA MET 2 HA MET 2 246.252 12.715 11.218
14 HB2 MET 2 1HB MET 2 244.327 11.291 13.071
15 HB3 MET 2 2HB MET 2 246.077 11.144 13.105
16 HG2 MET 2 1HG MET 2 246.298 13.466 13.731
17 HG3 MET 2 2HG MET 2 244.555 13.691 13.597
18 HE1 MET 2 1HE MET 2 246.178 14.557 16.177
19 HE2 MET 2 2HE MET 2 245.099 13.973 17.441
20 HE3 MET 2 3HE MET 2 244.433 14.733 15.996
21 H LYS 3 H LYS 3 246.309 11.874 9.109
22 HA LYS 3 HA LYS 3 245.376 9.088 8.917
23 HB2 LYS 3 1HB LYS 3 245.457 11.174 6.734
24 HB3 LYS 3 2HB LYS 3 245.197 9.461 6.445
25 HG2 LYS 3 1HG LYS 3 243.161 9.543 7.803
26 HG3 LYS 3 2HG LYS 3 243.419 11.269 8.071
27 HD2 LYS 3 1HD LYS 3 243.263 11.669 5.664
28 HD3 LYS 3 2HD LYS 3 243.022 9.943 5.388
29 HE2 LYS 3 1HE LYS 3 241.196 11.755 6.965
30 HE3 LYS 3 2HE LYS 3 240.906 11.173 5.326
31 HZ1 LYS 3 1HZ LYS 3 239.687 9.844 6.880
32 HZ2 LYS 3 2HZ LYS 3 241.074 9.519 7.783
33 HZ3 LYS 3 3HZ LYS 3 240.922 8.897 6.218
34 H LYS 4 H LYS 4 246.995 7.727 8.846
35 HA LYS 4 HA LYS 4 249.543 8.590 7.654
36 HB2 LYS 4 1HB LYS 4 248.954 6.347 9.594
37 HB3 LYS 4 2HB LYS 4 250.532 6.660 8.891
38 HG2 LYS 4 1HG LYS 4 249.004 8.557 10.659
39 HG3 LYS 4 2HG LYS 4 250.335 7.522 11.175
40 HD2 LYS 4 1HD LYS 4 250.514 9.690 9.081
41 HD3 LYS 4 2HD LYS 4 251.051 9.842 10.752
42 HE2 LYS 4 1HE LYS 4 252.133 7.890 8.720
43 HE3 LYS 4 2HE LYS 4 252.919 9.377 9.242
44 HZ1 LYS 4 1HZ LYS 4 252.312 7.038 10.967
45 HZ2 LYS 4 2HZ LYS 4 253.037 8.475 11.487
46 HZ3 LYS 4 3HZ LYS 4 253.837 7.475 10.383
47 H ARG 5 H ARG 5 246.813 6.865 6.991
48 HA ARG 5 HA ARG 5 248.241 5.006 5.214
49 HB2 ARG 5 1HB ARG 5 245.520 4.673 6.477
50 HB3 ARG 5 2HB ARG 5 246.268 3.541 5.362
51 HG2 ARG 5 1HG ARG 5 248.101 3.218 6.990
52 HG3 ARG 5 2HG ARG 5 247.229 4.259 8.118
53 HD2 ARG 5 1HD ARG 5 246.250 1.655 6.956
54 HD3 ARG 5 2HD ARG 5 246.792 1.922 8.612
55 HE ARG 5 HE ARG 5 244.847 3.582 8.678
56 HH11 ARG 5 1HH1 ARG 5 244.850 0.608 6.825
57 HH12 ARG 5 2HH1 ARG 5 243.122 0.447 6.847
58 HH21 ARG 5 1HH2 ARG 5 242.577 3.366 8.716
59 HH22 ARG 5 2HH2 ARG 5 241.829 2.016 7.924
60 H THR 6 H THR 6 247.778 7.586 4.337
61 HA THR 6 HA THR 6 245.497 7.371 2.528
62 HB THR 6 HB THR 6 247.431 9.646 3.006
63 HG1 THR 6 HG1 THR 6 244.810 9.030 3.880
64 HG21 THR 6 1HG2 THR 6 246.663 9.742 0.715
65 HG22 THR 6 2HG2 THR 6 245.844 10.991 1.653
66 HG23 THR 6 3HG2 THR 6 244.994 9.506 1.231
67 H TYR 7 H TYR 7 248.919 7.035 2.598
68 HA TYR 7 HA TYR 7 248.981 6.865 -0.330
69 HB2 TYR 7 1HB TYR 7 251.152 7.507 1.661
70 HB3 TYR 7 2HB TYR 7 251.491 7.113 -0.024
71 HD1 TYR 7 HD1 TYR 7 250.974 8.657 -1.787
72 HD2 TYR 7 HD2 TYR 7 249.976 9.585 2.237
73 HE1 TYR 7 HE1 TYR 7 250.560 10.984 -2.437
74 HE2 TYR 7 HE2 TYR 7 249.556 11.921 1.601
75 HH TYR 7 HH TYR 7 250.114 13.493 -0.130
76 H CYS 8 H CYS 8 249.902 5.155 -1.331
77 HA CYS 8 HA CYS 8 249.328 2.648 -0.275
78 HB2 CYS 8 1HB CYS 8 249.341 2.985 -2.628
79 HB3 CYS 8 2HB CYS 8 251.011 3.522 -2.615
80 H THR 9 H THR 9 250.361 1.257 0.936
81 HA THR 9 HA THR 9 252.771 1.949 2.259
82 HB THR 9 HB THR 9 251.361 -0.724 2.188
83 HG1 THR 9 HG1 THR 9 250.654 1.690 3.264
84 HG21 THR 9 1HG2 THR 9 252.365 -1.058 4.393
85 HG22 THR 9 2HG2 THR 9 253.189 0.496 4.260
86 HG23 THR 9 3HG2 THR 9 253.607 -0.821 3.163
87 H TYR 10 H TYR 10 252.065 0.094 -0.586
88 HA TYR 10 HA TYR 10 254.663 -1.202 -0.581
89 HB2 TYR 10 1HB TYR 10 252.246 -1.393 -2.349
90 HB3 TYR 10 2HB TYR 10 253.791 -2.076 -2.851
91 HD1 TYR 10 HD1 TYR 10 251.477 -2.081 0.078
92 HD2 TYR 10 HD2 TYR 10 254.266 -4.256 -2.279
93 HE1 TYR 10 HE1 TYR 10 251.039 -4.081 1.426
94 HE2 TYR 10 HE2 TYR 10 253.832 -6.270 -0.940
95 HH TYR 10 HH TYR 10 253.022 -6.735 1.432
96 H CYS 11 H CYS 11 253.249 1.649 -1.769
97 HA CYS 11 HA CYS 11 255.252 2.041 -3.824
98 HB2 CYS 11 1HB CYS 11 252.948 3.654 -2.798
99 HB3 CYS 11 2HB CYS 11 254.212 4.445 -3.727
100 HA PRO 12 HA PRO 12 258.394 3.320 -0.990
101 HB2 PRO 12 1HB PRO 12 259.297 4.937 -3.314
102 HB3 PRO 12 2HB PRO 12 260.195 3.769 -2.341
103 HG2 PRO 12 1HG PRO 12 259.353 3.167 -4.804
104 HG3 PRO 12 2HG PRO 12 259.368 1.958 -3.506
105 HD2 PRO 12 1HD PRO 12 257.075 3.434 -4.699
106 HD3 PRO 12 2HD PRO 12 257.149 1.782 -4.054
107 H SER 13 H SER 13 258.845 5.061 0.283
108 HA SER 13 HA SER 13 256.799 6.964 0.537
109 HB2 SER 13 1HB SER 13 259.532 7.010 1.827
110 HB3 SER 13 2HB SER 13 258.077 7.823 2.406
111 HG SER 13 HG SER 13 257.217 5.492 2.300
112 H LYS 14 H LYS 14 259.751 7.067 -1.265
113 HA LYS 14 HA LYS 14 259.640 9.963 -1.506
114 HB2 LYS 14 1HB LYS 14 261.546 7.873 -2.506
115 HB3 LYS 14 2HB LYS 14 261.567 9.494 -3.181
116 HG2 LYS 14 1HG LYS 14 263.225 9.400 -1.485
117 HG3 LYS 14 2HG LYS 14 261.893 10.372 -0.867
118 HD2 LYS 14 1HD LYS 14 261.056 8.352 0.323
119 HD3 LYS 14 2HD LYS 14 262.509 7.500 -0.199
120 HE2 LYS 14 1HE LYS 14 262.817 8.297 2.054
121 HE3 LYS 14 2HE LYS 14 263.880 9.188 0.966
122 HZ1 LYS 14 1HZ LYS 14 261.266 10.169 1.981
123 HZ2 LYS 14 2HZ LYS 14 262.340 11.030 0.997
124 HZ3 LYS 14 3HZ LYS 14 262.779 10.630 2.578
125 H ILE 15 H ILE 15 257.989 7.485 -2.838
126 HA ILE 15 HA ILE 15 257.676 8.743 -5.464
127 HB ILE 15 HB ILE 15 256.528 6.182 -4.337
128 HG12 ILE 15 1HG1 ILE 15 258.933 6.087 -4.819
129 HG13 ILE 15 2HG1 ILE 15 258.019 5.068 -5.924
130 HG21 ILE 15 1HG2 ILE 15 254.969 7.180 -5.922
131 HG22 ILE 15 2HG2 ILE 15 255.700 5.719 -6.587
132 HG23 ILE 15 3HG2 ILE 15 256.256 7.304 -7.121
133 HD11 ILE 15 1HD1 ILE 15 259.764 6.235 -7.100
134 HD12 ILE 15 2HD1 ILE 15 259.159 7.785 -6.519
135 HD13 ILE 15 3HD1 ILE 15 258.189 6.823 -7.632
136 H ARG 16 H ARG 16 255.838 7.872 -2.565
137 HA ARG 16 HA ARG 16 253.918 8.668 -1.655
138 HB2 ARG 16 1HB ARG 16 254.647 11.132 -3.243
139 HB3 ARG 16 2HB ARG 16 253.437 11.075 -1.969
140 HG2 ARG 16 1HG ARG 16 255.142 10.503 -0.342
141 HG3 ARG 16 2HG ARG 16 256.368 10.485 -1.612
142 HD2 ARG 16 1HD ARG 16 256.490 12.579 -0.436
143 HD3 ARG 16 2HD ARG 16 255.870 12.868 -2.060
144 HE ARG 16 HE ARG 16 253.890 12.534 0.042
145 HH11 ARG 16 1HH1 ARG 16 255.734 14.730 -1.954
146 HH12 ARG 16 2HH1 ARG 16 254.684 16.080 -1.666
147 HH21 ARG 16 1HH2 ARG 16 252.509 14.316 0.439
148 HH22 ARG 16 2HH2 ARG 16 252.862 15.849 -0.292
149 H ARG 17 H ARG 17 252.883 7.028 -3.048
150 HA ARG 17 HA ARG 17 251.148 8.281 -5.065
151 HB2 ARG 17 1HB ARG 17 252.578 6.474 -5.945
152 HB3 ARG 17 2HB ARG 17 251.898 5.366 -4.760
153 HG2 ARG 17 1HG ARG 17 249.729 5.518 -5.783
154 HG3 ARG 17 2HG ARG 17 250.298 6.764 -6.895
155 HD2 ARG 17 1HD ARG 17 251.833 5.178 -7.915
156 HD3 ARG 17 2HD ARG 17 251.334 3.932 -6.772
157 HE ARG 17 HE ARG 17 249.018 4.712 -7.999
158 HH11 ARG 17 1HH1 ARG 17 252.111 3.527 -9.110
159 HH12 ARG 17 2HH1 ARG 17 251.457 2.680 -10.479
160 HH21 ARG 17 1HH2 ARG 17 248.133 3.614 -9.808
161 HH22 ARG 17 2HH2 ARG 17 249.186 2.751 -10.883
162 H LYS 18 H LYS 18 249.058 8.411 -4.663
163 HA LYS 18 HA LYS 18 247.967 7.948 -2.138
164 HB2 LYS 18 1HB LYS 18 246.498 8.186 -4.773
165 HB3 LYS 18 2HB LYS 18 245.792 8.406 -3.182
166 HG2 LYS 18 1HG LYS 18 248.027 10.126 -4.212
167 HG3 LYS 18 2HG LYS 18 246.327 10.499 -4.486
168 HD2 LYS 18 1HD LYS 18 246.020 10.414 -1.990
169 HD3 LYS 18 2HD LYS 18 247.778 10.310 -1.853
170 HE2 LYS 18 1HE LYS 18 248.014 12.433 -3.016
171 HE3 LYS 18 2HE LYS 18 246.268 12.533 -3.225
172 HZ1 LYS 18 1HZ LYS 18 247.770 12.649 -0.669
173 HZ2 LYS 18 2HZ LYS 18 246.084 12.553 -0.769
174 HZ3 LYS 18 3HZ LYS 18 246.891 13.897 -1.397
175 H ALA 19 H ALA 19 246.772 6.321 -1.245
176 HA ALA 19 HA ALA 19 246.810 3.751 -2.607
177 HB1 ALA 19 1HB ALA 19 246.138 2.811 -0.494
178 HB2 ALA 19 2HB ALA 19 245.829 4.418 0.164
179 HB3 ALA 19 3HB ALA 19 247.475 3.928 -0.234
180 H ASN 20 H ASN 20 245.007 2.583 -3.188
181 HA ASN 20 HA ASN 20 242.503 4.140 -3.295
182 HB2 ASN 20 1HB ASN 20 243.267 2.005 -5.282
183 HB3 ASN 20 2HB ASN 20 242.051 3.264 -5.449
184 HD21 ASN 20 1HD2 ASN 20 242.706 5.372 -5.959
185 HD22 ASN 20 2HD2 ASN 20 244.279 5.703 -6.597
186 H ALA 21 H ALA 21 243.955 1.471 -1.989
187 HA ALA 21 HA ALA 21 241.424 0.290 -1.235
188 HB1 ALA 21 1HB ALA 21 243.502 -1.335 -2.706
189 HB2 ALA 21 2HB ALA 21 241.929 -0.863 -3.341
190 HB3 ALA 21 3HB ALA 21 242.030 -1.963 -1.969
191 H SER 22 H SER 22 242.071 -1.811 0.152
192 HA SER 22 HA SER 22 244.544 -1.442 1.606
193 HB2 SER 22 1HB SER 22 242.937 0.168 2.657
194 HB3 SER 22 2HB SER 22 241.890 -1.196 3.045
195 HG SER 22 HG SER 22 244.592 -0.996 3.891
196 H CYS 23 H CYS 23 245.203 -3.301 2.628
197 HA CYS 23 HA CYS 23 243.734 -5.712 2.100
198 HB2 CYS 23 1HB CYS 23 246.237 -5.654 2.135
199 HB3 CYS 23 2HB CYS 23 246.169 -5.357 3.871
200 H LYS 24 H LYS 24 242.017 -6.251 3.257
201 HA LYS 24 HA LYS 24 241.300 -4.898 5.639
202 HB2 LYS 24 1HB LYS 24 239.821 -6.059 3.831
203 HB3 LYS 24 2HB LYS 24 240.071 -7.506 4.798
204 HG2 LYS 24 1HG LYS 24 238.011 -6.550 5.476
205 HG3 LYS 24 2HG LYS 24 239.177 -6.234 6.763
206 HD2 LYS 24 1HD LYS 24 239.519 -3.970 5.905
207 HD3 LYS 24 2HD LYS 24 238.373 -4.284 4.602
208 HE2 LYS 24 1HE LYS 24 237.283 -3.033 6.349
209 HE3 LYS 24 2HE LYS 24 236.613 -4.663 6.288
210 HZ1 LYS 24 1HZ LYS 24 237.022 -3.944 8.558
211 HZ2 LYS 24 2HZ LYS 24 238.661 -3.713 8.218
212 HZ3 LYS 24 3HZ LYS 24 238.000 -5.266 8.168
213 H LYS 25 H LYS 25 243.246 -7.603 5.043
214 HA LYS 25 HA LYS 25 242.855 -8.848 7.611
215 HB2 LYS 25 1HB LYS 25 244.851 -9.328 5.400
216 HB3 LYS 25 2HB LYS 25 244.789 -10.273 6.881
217 HG2 LYS 25 1HG LYS 25 242.608 -11.097 6.342
218 HG3 LYS 25 2HG LYS 25 242.492 -10.013 4.954
219 HD2 LYS 25 1HD LYS 25 244.242 -11.183 3.813
220 HD3 LYS 25 2HD LYS 25 244.595 -12.152 5.243
221 HE2 LYS 25 1HE LYS 25 241.980 -12.206 3.743
222 HE3 LYS 25 2HE LYS 25 243.290 -13.362 3.505
223 HZ1 LYS 25 1HZ LYS 25 243.074 -14.047 5.798
224 HZ2 LYS 25 2HZ LYS 25 241.589 -14.202 5.010
225 HZ3 LYS 25 3HZ LYS 25 241.852 -12.910 6.065
226 H CYS 26 H CYS 26 245.155 -6.602 6.163
227 HA CYS 26 HA CYS 26 246.736 -6.740 8.648
228 HB2 CYS 26 1HB CYS 26 247.936 -6.128 5.962
229 HB3 CYS 26 2HB CYS 26 248.745 -6.659 7.433
230 H LYS 27 H LYS 27 244.781 -4.736 6.920
231 HA LYS 27 HA LYS 27 244.237 -2.551 7.192
232 HB2 LYS 27 1HB LYS 27 246.438 -2.553 9.259
233 HB3 LYS 27 2HB LYS 27 245.319 -1.225 8.993
234 HG2 LYS 27 1HG LYS 27 244.456 -4.003 9.768
235 HG3 LYS 27 2HG LYS 27 244.764 -2.708 10.926
236 HD2 LYS 27 1HD LYS 27 243.037 -1.343 9.824
237 HD3 LYS 27 2HD LYS 27 242.714 -2.672 8.709
238 HE2 LYS 27 1HE LYS 27 241.086 -2.605 10.538
239 HE3 LYS 27 2HE LYS 27 242.035 -4.088 10.563
240 HZ1 LYS 27 1HZ LYS 27 242.565 -1.712 12.264
241 HZ2 LYS 27 2HZ LYS 27 243.372 -3.198 12.337
242 HZ3 LYS 27 3HZ LYS 27 241.742 -3.100 12.773
243 H LYS 28 H LYS 28 246.989 -3.568 5.806
244 HA LYS 28 HA LYS 28 248.363 -1.085 5.405
245 HB2 LYS 28 1HB LYS 28 248.582 -3.748 3.994
246 HB3 LYS 28 2HB LYS 28 249.614 -2.370 3.647
247 HG2 LYS 28 1HG LYS 28 250.515 -2.432 5.884
248 HG3 LYS 28 2HG LYS 28 249.409 -3.736 6.323
249 HD2 LYS 28 1HD LYS 28 250.460 -5.222 4.738
250 HD3 LYS 28 2HD LYS 28 251.483 -3.916 4.139
251 HE2 LYS 28 1HE LYS 28 251.529 -4.970 6.966
252 HE3 LYS 28 2HE LYS 28 252.642 -5.474 5.695
253 HZ1 LYS 28 1HZ LYS 28 253.411 -3.192 5.514
254 HZ2 LYS 28 2HZ LYS 28 253.615 -3.767 7.090
255 HZ3 LYS 28 3HZ LYS 28 252.346 -2.707 6.735
256 H VAL 29 H VAL 29 247.940 0.442 3.916
257 HA VAL 29 HA VAL 29 245.777 -0.051 2.038
258 HB VAL 29 HB VAL 29 245.925 2.367 1.522
259 HG11 VAL 29 1HG1 VAL 29 244.389 1.565 3.212
260 HG12 VAL 29 2HG1 VAL 29 245.044 3.133 3.679
261 HG13 VAL 29 3HG1 VAL 29 245.653 1.660 4.437
262 HG21 VAL 29 1HG2 VAL 29 248.303 2.690 2.008
263 HG22 VAL 29 2HG2 VAL 29 247.984 2.419 3.721
264 HG23 VAL 29 3HG2 VAL 29 247.294 3.824 2.906
265 H ILE 30 H ILE 30 245.937 0.173 -0.179
266 HA ILE 30 HA ILE 30 248.646 0.117 -1.297
267 HB ILE 30 HB ILE 30 247.905 -1.923 -2.657
268 HG12 ILE 30 1HG1 ILE 30 245.812 -1.885 -0.485
269 HG13 ILE 30 2HG1 ILE 30 245.577 -2.036 -2.220
270 HG21 ILE 30 1HG2 ILE 30 248.405 -2.207 0.304
271 HG22 ILE 30 2HG2 ILE 30 249.630 -2.023 -0.952
272 HG23 ILE 30 3HG2 ILE 30 248.634 -3.477 -0.899
273 HD11 ILE 30 1HD1 ILE 30 246.644 -4.272 -2.104
274 HD12 ILE 30 2HD1 ILE 30 245.141 -4.144 -1.193
275 HD13 ILE 30 3HD1 ILE 30 246.692 -4.108 -0.350
276 H CYS 31 H CYS 31 248.750 0.471 -3.547
277 HA CYS 31 HA CYS 31 246.579 2.115 -4.569
278 HB2 CYS 31 1HB CYS 31 248.148 2.792 -6.288
279 HB3 CYS 31 2HB CYS 31 248.973 2.842 -4.734
280 H ARG 32 H ARG 32 246.035 1.849 -6.954
281 HA ARG 32 HA ARG 32 244.924 -0.726 -7.331
282 HB2 ARG 32 1HB ARG 32 245.182 1.628 -9.192
283 HB3 ARG 32 2HB ARG 32 244.340 0.152 -9.626
284 HG2 ARG 32 1HG ARG 32 243.633 1.989 -7.353
285 HG3 ARG 32 2HG ARG 32 242.791 1.868 -8.897
286 HD2 ARG 32 1HD ARG 32 243.017 -0.264 -6.777
287 HD3 ARG 32 2HD ARG 32 241.570 0.630 -7.233
288 HE ARG 32 HE ARG 32 242.684 -0.780 -9.449
289 HH11 ARG 32 1HH1 ARG 32 240.729 -1.182 -6.572
290 HH12 ARG 32 2HH1 ARG 32 239.901 -2.584 -7.179
291 HH21 ARG 32 1HH2 ARG 32 241.594 -2.622 -10.247
292 HH22 ARG 32 2HH2 ARG 32 240.380 -3.387 -9.271
293 H GLU 33 H GLU 33 248.038 0.287 -7.833
294 HA GLU 33 HA GLU 33 248.527 -1.589 -10.018
295 HB2 GLU 33 1HB GLU 33 249.533 0.687 -10.080
296 HB3 GLU 33 2HB GLU 33 250.429 0.297 -8.620
297 HG2 GLU 33 1HG GLU 33 251.537 -1.541 -9.844
298 HG3 GLU 33 2HG GLU 33 250.708 -1.016 -11.310
299 H HIS 34 H HIS 34 248.734 -1.299 -6.601
300 HA HIS 34 HA HIS 34 250.557 -3.616 -6.462
301 HB2 HIS 34 1HB HIS 34 250.220 -1.261 -4.618
302 HB3 HIS 34 2HB HIS 34 250.920 -2.766 -4.043
303 HD2 HIS 34 HD2 HIS 34 252.766 -3.254 -6.793
304 HE1 HIS 34 HE1 HIS 34 254.601 0.302 -5.417
305 HE2 HIS 34 HE2 HIS 34 254.751 -1.608 -7.085
306 H ASN 35 H ASN 35 247.412 -3.075 -6.417
307 HA ASN 35 HA ASN 35 246.890 -4.503 -3.925
308 HB2 ASN 35 1HB ASN 35 244.613 -3.790 -4.043
309 HB3 ASN 35 2HB ASN 35 245.624 -2.388 -4.358
310 HD21 ASN 35 1HD2 ASN 35 242.804 -3.081 -5.066
311 HD22 ASN 35 2HD2 ASN 35 242.711 -2.840 -6.775
312 H ILE 36 H ILE 36 246.231 -6.491 -3.833
313 HA ILE 36 HA ILE 36 245.043 -7.721 -6.231
314 HB ILE 36 HB ILE 36 245.884 -9.917 -5.317
315 HG12 ILE 36 1HG1 ILE 36 247.589 -8.104 -3.595
316 HG13 ILE 36 2HG1 ILE 36 246.317 -9.170 -3.013
317 HG21 ILE 36 1HG2 ILE 36 247.962 -7.881 -6.110
318 HG22 ILE 36 2HG2 ILE 36 246.963 -8.834 -7.207
319 HG23 ILE 36 3HG2 ILE 36 248.161 -9.631 -6.186
320 HD11 ILE 36 1HD1 ILE 36 247.593 -11.105 -3.753
321 HD12 ILE 36 2HD1 ILE 36 248.521 -10.112 -2.628
322 HD13 ILE 36 3HD1 ILE 36 248.861 -10.040 -4.357
323 H ASP 37 H ASP 37 243.696 -6.220 -4.325
324 HA ASP 37 HA ASP 37 241.993 -6.137 -2.849
325 HB2 ASP 37 1HB ASP 37 241.592 -8.993 -3.738
326 HB3 ASP 37 2HB ASP 37 240.470 -8.122 -2.695
327 H MET 38 H MET 38 244.687 -7.228 -2.212
328 HA MET 38 HA MET 38 244.435 -7.283 0.568
329 HB2 MET 38 1HB MET 38 245.202 -9.560 1.050
330 HB3 MET 38 2HB MET 38 243.667 -9.609 0.202
331 HG2 MET 38 1HG MET 38 244.822 -10.154 -1.874
332 HG3 MET 38 2HG MET 38 246.370 -10.086 -1.032
333 HE1 MET 38 1HE MET 38 242.954 -11.949 -1.399
334 HE2 MET 38 2HE MET 38 242.949 -11.562 0.322
335 HE3 MET 38 3HE MET 38 243.097 -13.237 -0.204
336 H CYS 39 H CYS 39 246.818 -8.072 1.388
337 HA CYS 39 HA CYS 39 248.593 -6.640 -0.458
338 HB2 CYS 39 1HB CYS 39 249.789 -5.785 1.357
339 HB3 CYS 39 2HB CYS 39 248.119 -5.716 1.893
340 H GLN 40 H GLN 40 250.684 -7.384 -0.830
341 HA GLN 40 HA GLN 40 250.779 -10.184 -1.220
342 HB2 GLN 40 1HB GLN 40 252.908 -8.074 -1.574
343 HB3 GLN 40 2HB GLN 40 253.064 -9.741 -2.107
344 HG2 GLN 40 1HG GLN 40 251.113 -9.432 -3.573
345 HG3 GLN 40 2HG GLN 40 251.032 -7.744 -3.073
346 HE21 GLN 40 1HE2 GLN 40 252.849 -10.122 -4.848
347 HE22 GLN 40 2HE2 GLN 40 253.812 -9.001 -5.752
348 H SER 41 H SER 41 251.583 -8.323 1.467
349 HA SER 41 HA SER 41 253.765 -9.850 2.461
350 HB2 SER 41 1HB SER 41 253.124 -7.525 3.217
351 HB3 SER 41 2HB SER 41 251.778 -8.253 4.091
352 HG SER 41 HG SER 41 254.461 -9.075 4.469
353 H CYS 42 H CYS 42 250.384 -10.396 2.272
354 HA CYS 42 HA CYS 42 250.672 -12.687 4.097
355 HB2 CYS 42 1HB CYS 42 248.259 -12.490 4.568
356 HB3 CYS 42 2HB CYS 42 249.135 -11.032 5.024
357 H PHE 43 H PHE 43 250.774 -12.042 0.998
358 HA PHE 43 HA PHE 43 249.218 -14.415 0.226
359 HB2 PHE 43 1HB PHE 43 248.195 -12.325 -0.647
360 HB3 PHE 43 2HB PHE 43 249.704 -11.956 -1.473
361 HD1 PHE 43 HD1 PHE 43 246.826 -14.247 -1.372
362 HD2 PHE 43 HD2 PHE 43 250.272 -13.006 -3.532
363 HE1 PHE 43 HE1 PHE 43 246.062 -15.529 -3.327
364 HE2 PHE 43 HE2 PHE 43 249.516 -14.287 -5.488
365 HZ PHE 43 HZ PHE 43 247.406 -15.551 -5.388
Start of MODEL 9
1 H1 VAL 1 1H VAL 1 254.518 13.129 7.345
2 H2 VAL 1 2H VAL 1 253.993 11.714 8.106
3 H3 VAL 1 3H VAL 1 253.681 13.215 8.810
4 HA VAL 1 HA VAL 1 252.231 13.828 7.040
5 HB VAL 1 HB VAL 1 251.584 12.166 5.320
6 HG11 VAL 1 1HG1 VAL 1 253.590 12.387 3.922
7 HG12 VAL 1 2HG1 VAL 1 254.518 12.865 5.343
8 HG13 VAL 1 3HG1 VAL 1 253.206 13.889 4.762
9 HG21 VAL 1 1HG2 VAL 1 253.006 10.213 4.907
10 HG22 VAL 1 2HG2 VAL 1 252.234 10.125 6.490
11 HG23 VAL 1 3HG2 VAL 1 253.932 10.581 6.363
12 H MET 2 H MET 2 250.053 13.487 7.334
13 HA MET 2 HA MET 2 249.385 11.597 9.461
14 HB2 MET 2 1HB MET 2 247.743 13.830 8.241
15 HB3 MET 2 2HB MET 2 247.277 12.863 9.633
16 HG2 MET 2 1HG MET 2 249.132 13.761 10.909
17 HG3 MET 2 2HG MET 2 249.673 14.681 9.507
18 HE1 MET 2 1HE MET 2 245.766 15.496 11.824
19 HE2 MET 2 2HE MET 2 246.940 14.254 12.259
20 HE3 MET 2 3HE MET 2 245.974 14.080 10.794
21 H LYS 3 H LYS 3 247.626 10.146 9.295
22 HA LYS 3 HA LYS 3 246.281 8.613 8.309
23 HB2 LYS 3 1HB LYS 3 245.987 10.861 6.333
24 HB3 LYS 3 2HB LYS 3 245.155 9.326 6.119
25 HG2 LYS 3 1HG LYS 3 244.898 11.039 8.579
26 HG3 LYS 3 2HG LYS 3 243.794 11.109 7.204
27 HD2 LYS 3 1HD LYS 3 243.240 8.750 7.521
28 HD3 LYS 3 2HD LYS 3 244.362 8.662 8.877
29 HE2 LYS 3 1HE LYS 3 241.949 10.466 8.755
30 HE3 LYS 3 2HE LYS 3 241.993 8.902 9.564
31 HZ1 LYS 3 1HZ LYS 3 243.617 11.290 10.253
32 HZ2 LYS 3 2HZ LYS 3 243.785 9.774 10.982
33 HZ3 LYS 3 3HZ LYS 3 242.343 10.637 11.156
34 H LYS 4 H LYS 4 248.156 7.303 8.119
35 HA LYS 4 HA LYS 4 249.582 7.165 5.643
36 HB2 LYS 4 1HB LYS 4 249.525 5.387 8.075
37 HB3 LYS 4 2HB LYS 4 250.464 4.988 6.647
38 HG2 LYS 4 1HG LYS 4 251.975 6.005 8.117
39 HG3 LYS 4 2HG LYS 4 251.588 7.244 6.924
40 HD2 LYS 4 1HD LYS 4 251.565 8.302 9.050
41 HD3 LYS 4 2HD LYS 4 249.882 8.126 8.550
42 HE2 LYS 4 1HE LYS 4 249.655 6.156 9.965
43 HE3 LYS 4 2HE LYS 4 251.348 6.284 10.439
44 HZ1 LYS 4 1HZ LYS 4 249.868 7.208 12.111
45 HZ2 LYS 4 2HZ LYS 4 249.250 8.312 10.990
46 HZ3 LYS 4 3HZ LYS 4 250.869 8.409 11.467
47 H ARG 5 H ARG 5 246.690 5.810 6.901
48 HA ARG 5 HA ARG 5 246.543 3.624 5.054
49 HB2 ARG 5 1HB ARG 5 244.557 4.874 6.922
50 HB3 ARG 5 2HB ARG 5 244.065 3.654 5.758
51 HG2 ARG 5 1HG ARG 5 245.767 2.126 6.744
52 HG3 ARG 5 2HG ARG 5 246.056 3.342 7.991
53 HD2 ARG 5 1HD ARG 5 243.729 3.208 8.684
54 HD3 ARG 5 2HD ARG 5 243.399 2.041 7.405
55 HE ARG 5 HE ARG 5 245.484 1.103 9.067
56 HH11 ARG 5 1HH1 ARG 5 242.028 1.607 9.050
57 HH12 ARG 5 2HH1 ARG 5 241.703 0.335 10.182
58 HH21 ARG 5 1HH2 ARG 5 245.063 -0.585 10.565
59 HH22 ARG 5 2HH2 ARG 5 243.424 -0.907 11.043
60 H THR 6 H THR 6 246.655 6.685 4.317
61 HA THR 6 HA THR 6 244.561 6.573 2.265
62 HB THR 6 HB THR 6 246.329 8.893 3.083
63 HG1 THR 6 HG1 THR 6 244.037 7.859 4.144
64 HG21 THR 6 1HG2 THR 6 243.880 8.824 1.314
65 HG22 THR 6 2HG2 THR 6 245.540 9.070 0.771
66 HG23 THR 6 3HG2 THR 6 244.761 10.272 1.801
67 H TYR 7 H TYR 7 247.847 6.032 2.787
68 HA TYR 7 HA TYR 7 248.471 6.379 -0.069
69 HB2 TYR 7 1HB TYR 7 250.315 6.647 2.314
70 HB3 TYR 7 2HB TYR 7 250.821 6.746 0.630
71 HD1 TYR 7 HD1 TYR 7 249.879 8.588 -0.802
72 HD2 TYR 7 HD2 TYR 7 249.454 8.537 3.429
73 HE1 TYR 7 HE1 TYR 7 249.379 10.988 -0.828
74 HE2 TYR 7 HE2 TYR 7 248.949 10.942 3.413
75 HH TYR 7 HH TYR 7 249.402 12.907 1.924
76 H CYS 8 H CYS 8 249.447 4.744 -1.128
77 HA CYS 8 HA CYS 8 249.062 2.124 -0.285
78 HB2 CYS 8 1HB CYS 8 249.297 2.545 -2.610
79 HB3 CYS 8 2HB CYS 8 250.866 3.298 -2.392
80 H THR 9 H THR 9 250.010 0.954 1.158
81 HA THR 9 HA THR 9 252.145 1.784 2.742
82 HB THR 9 HB THR 9 251.235 -1.071 2.372
83 HG1 THR 9 HG1 THR 9 249.366 0.002 2.779
84 HG21 THR 9 1HG2 THR 9 251.801 -1.274 4.749
85 HG22 THR 9 2HG2 THR 9 252.343 0.404 4.763
86 HG23 THR 9 3HG2 THR 9 253.204 -0.794 3.795
87 H TYR 10 H TYR 10 252.113 -0.022 -0.235
88 HA TYR 10 HA TYR 10 254.850 -0.924 0.087
89 HB2 TYR 10 1HB TYR 10 252.750 -1.335 -2.017
90 HB3 TYR 10 2HB TYR 10 254.430 -1.760 -2.327
91 HD1 TYR 10 HD1 TYR 10 255.005 -3.946 -1.964
92 HD2 TYR 10 HD2 TYR 10 251.898 -2.249 0.384
93 HE1 TYR 10 HE1 TYR 10 254.692 -6.102 -0.830
94 HE2 TYR 10 HE2 TYR 10 251.573 -4.395 1.525
95 HH TYR 10 HH TYR 10 253.779 -6.891 1.405
96 H CYS 11 H CYS 11 253.235 1.793 -1.142
97 HA CYS 11 HA CYS 11 255.368 2.537 -2.973
98 HB2 CYS 11 1HB CYS 11 252.719 3.708 -2.233
99 HB3 CYS 11 2HB CYS 11 253.937 4.753 -2.945
100 HA PRO 12 HA PRO 12 257.670 4.813 0.091
101 HB2 PRO 12 1HB PRO 12 258.451 6.612 -2.105
102 HB3 PRO 12 2HB PRO 12 259.465 5.591 -1.084
103 HG2 PRO 12 1HG PRO 12 259.010 5.023 -3.678
104 HG3 PRO 12 2HG PRO 12 259.236 3.758 -2.455
105 HD2 PRO 12 1HD PRO 12 256.719 4.744 -3.728
106 HD3 PRO 12 2HD PRO 12 257.182 3.094 -3.262
107 H SER 13 H SER 13 257.119 6.471 1.379
108 HA SER 13 HA SER 13 254.773 7.944 0.935
109 HB2 SER 13 1HB SER 13 256.995 8.529 2.904
110 HB3 SER 13 2HB SER 13 255.335 9.114 3.001
111 HG SER 13 HG SER 13 254.944 6.634 2.828
112 H LYS 14 H LYS 14 258.064 8.573 0.072
113 HA LYS 14 HA LYS 14 257.936 11.349 -0.374
114 HB2 LYS 14 1HB LYS 14 259.516 9.229 -1.841
115 HB3 LYS 14 2HB LYS 14 259.779 10.957 -2.000
116 HG2 LYS 14 1HG LYS 14 260.048 9.441 0.582
117 HG3 LYS 14 2HG LYS 14 261.388 9.811 -0.503
118 HD2 LYS 14 1HD LYS 14 260.828 12.225 -0.259
119 HD3 LYS 14 2HD LYS 14 259.624 11.777 0.951
120 HE2 LYS 14 1HE LYS 14 262.576 11.182 1.123
121 HE3 LYS 14 2HE LYS 14 261.757 12.500 1.955
122 HZ1 LYS 14 1HZ LYS 14 260.421 10.860 3.139
123 HZ2 LYS 14 2HZ LYS 14 262.069 10.618 3.416
124 HZ3 LYS 14 3HZ LYS 14 261.237 9.603 2.353
125 H ILE 15 H ILE 15 256.686 8.634 -2.146
126 HA ILE 15 HA ILE 15 256.270 10.079 -4.601
127 HB ILE 15 HB ILE 15 255.154 7.411 -3.717
128 HG12 ILE 15 1HG1 ILE 15 257.594 7.385 -3.787
129 HG13 ILE 15 2HG1 ILE 15 256.934 6.435 -5.113
130 HG21 ILE 15 1HG2 ILE 15 254.748 6.998 -6.087
131 HG22 ILE 15 2HG2 ILE 15 255.303 8.627 -6.470
132 HG23 ILE 15 3HG2 ILE 15 253.840 8.396 -5.514
133 HD11 ILE 15 1HD1 ILE 15 257.338 8.324 -6.630
134 HD12 ILE 15 2HD1 ILE 15 258.813 7.728 -5.869
135 HD13 ILE 15 3HD1 ILE 15 258.064 9.216 -5.293
136 H ARG 16 H ARG 16 254.511 9.399 -1.706
137 HA ARG 16 HA ARG 16 252.455 9.943 -0.913
138 HB2 ARG 16 1HB ARG 16 252.611 12.113 -3.011
139 HB3 ARG 16 2HB ARG 16 251.466 12.067 -1.679
140 HG2 ARG 16 1HG ARG 16 253.336 12.197 -0.091
141 HG3 ARG 16 2HG ARG 16 254.459 12.302 -1.450
142 HD2 ARG 16 1HD ARG 16 252.279 14.257 -0.736
143 HD3 ARG 16 2HD ARG 16 254.018 14.519 -0.616
144 HE ARG 16 HE ARG 16 253.662 13.939 -3.232
145 HH11 ARG 16 1HH1 ARG 16 252.197 16.262 -1.065
146 HH12 ARG 16 2HH1 ARG 16 251.842 17.399 -2.324
147 HH21 ARG 16 1HH2 ARG 16 253.192 15.434 -4.889
148 HH22 ARG 16 2HH2 ARG 16 252.397 16.926 -4.497
149 H ARG 17 H ARG 17 252.465 7.873 -2.708
150 HA ARG 17 HA ARG 17 250.454 8.280 -4.724
151 HB2 ARG 17 1HB ARG 17 252.313 6.721 -5.112
152 HB3 ARG 17 2HB ARG 17 251.785 5.744 -3.749
153 HG2 ARG 17 1HG ARG 17 251.089 4.692 -5.785
154 HG3 ARG 17 2HG ARG 17 249.665 5.295 -4.938
155 HD2 ARG 17 1HD ARG 17 249.570 5.729 -7.360
156 HD3 ARG 17 2HD ARG 17 249.558 7.214 -6.413
157 HE ARG 17 HE ARG 17 252.186 6.434 -7.258
158 HH11 ARG 17 1HH1 ARG 17 249.263 8.083 -8.226
159 HH12 ARG 17 2HH1 ARG 17 250.061 9.095 -9.391
160 HH21 ARG 17 1HH2 ARG 17 253.250 7.752 -8.800
161 HH22 ARG 17 2HH2 ARG 17 252.335 8.911 -9.712
162 H LYS 18 H LYS 18 248.421 8.512 -4.117
163 HA LYS 18 HA LYS 18 247.330 7.494 -1.712
164 HB2 LYS 18 1HB LYS 18 246.195 8.789 -4.156
165 HB3 LYS 18 2HB LYS 18 245.098 7.959 -3.066
166 HG2 LYS 18 1HG LYS 18 245.135 10.283 -2.502
167 HG3 LYS 18 2HG LYS 18 245.933 9.380 -1.217
168 HD2 LYS 18 1HD LYS 18 247.248 11.306 -1.609
169 HD3 LYS 18 2HD LYS 18 248.117 9.949 -2.324
170 HE2 LYS 18 1HE LYS 18 247.163 10.569 -4.526
171 HE3 LYS 18 2HE LYS 18 246.439 11.986 -3.774
172 HZ1 LYS 18 1HZ LYS 18 249.349 11.399 -3.874
173 HZ2 LYS 18 2HZ LYS 18 248.637 12.774 -3.193
174 HZ3 LYS 18 3HZ LYS 18 248.540 12.513 -4.860
175 H ALA 19 H ALA 19 246.215 5.676 -1.287
176 HA ALA 19 HA ALA 19 246.546 3.521 -3.210
177 HB1 ALA 19 1HB ALA 19 245.971 2.053 -1.366
178 HB2 ALA 19 2HB ALA 19 245.565 3.449 -0.364
179 HB3 ALA 19 3HB ALA 19 247.229 3.191 -0.886
180 H ASN 20 H ASN 20 244.959 2.717 -4.420
181 HA ASN 20 HA ASN 20 242.209 3.575 -3.857
182 HB2 ASN 20 1HB ASN 20 243.480 2.550 -6.406
183 HB3 ASN 20 2HB ASN 20 241.752 2.817 -6.222
184 HD21 ASN 20 1HD2 ASN 20 244.870 4.327 -6.505
185 HD22 ASN 20 2HD2 ASN 20 244.291 5.927 -6.792
186 H ALA 21 H ALA 21 244.148 1.080 -3.168
187 HA ALA 21 HA ALA 21 241.920 -0.828 -3.134
188 HB1 ALA 21 1HB ALA 21 244.763 -1.491 -3.904
189 HB2 ALA 21 2HB ALA 21 243.379 -1.444 -4.995
190 HB3 ALA 21 3HB ALA 21 243.448 -2.650 -3.712
191 H SER 22 H SER 22 242.371 -2.647 -1.547
192 HA SER 22 HA SER 22 244.150 -1.874 0.628
193 HB2 SER 22 1HB SER 22 242.253 -2.060 2.277
194 HB3 SER 22 2HB SER 22 242.172 -0.651 1.219
195 HG SER 22 HG SER 22 240.888 -3.003 0.403
196 H CYS 23 H CYS 23 244.967 -3.586 1.692
197 HA CYS 23 HA CYS 23 244.108 -6.249 0.919
198 HB2 CYS 23 1HB CYS 23 246.514 -5.706 1.128
199 HB3 CYS 23 2HB CYS 23 246.273 -5.351 2.833
200 H LYS 24 H LYS 24 242.241 -6.827 1.854
201 HA LYS 24 HA LYS 24 241.127 -5.632 4.092
202 HB2 LYS 24 1HB LYS 24 240.095 -7.124 2.201
203 HB3 LYS 24 2HB LYS 24 240.366 -8.428 3.350
204 HG2 LYS 24 1HG LYS 24 238.127 -7.667 3.616
205 HG3 LYS 24 2HG LYS 24 239.048 -7.125 5.022
206 HD2 LYS 24 1HD LYS 24 239.300 -4.913 4.000
207 HD3 LYS 24 2HD LYS 24 238.384 -5.458 2.596
208 HE2 LYS 24 1HE LYS 24 236.439 -5.849 4.041
209 HE3 LYS 24 2HE LYS 24 237.363 -5.270 5.427
210 HZ1 LYS 24 1HZ LYS 24 235.944 -3.540 4.522
211 HZ2 LYS 24 2HZ LYS 24 236.696 -3.675 3.012
212 HZ3 LYS 24 3HZ LYS 24 237.574 -3.123 4.347
213 H LYS 25 H LYS 25 243.228 -8.412 3.922
214 HA LYS 25 HA LYS 25 242.582 -9.578 6.390
215 HB2 LYS 25 1HB LYS 25 243.854 -10.740 4.641
216 HB3 LYS 25 2HB LYS 25 245.208 -9.649 4.897
217 HG2 LYS 25 1HG LYS 25 245.644 -11.747 5.985
218 HG3 LYS 25 2HG LYS 25 245.420 -10.492 7.203
219 HD2 LYS 25 1HD LYS 25 243.111 -11.244 7.540
220 HD3 LYS 25 2HD LYS 25 243.350 -12.506 6.328
221 HE2 LYS 25 1HE LYS 25 245.130 -13.475 7.717
222 HE3 LYS 25 2HE LYS 25 244.853 -12.227 8.930
223 HZ1 LYS 25 1HZ LYS 25 243.738 -14.287 9.505
224 HZ2 LYS 25 2HZ LYS 25 242.871 -14.253 8.056
225 HZ3 LYS 25 3HZ LYS 25 242.607 -13.061 9.221
226 H CYS 26 H CYS 26 245.114 -7.193 5.572
227 HA CYS 26 HA CYS 26 245.677 -6.951 8.447
228 HB2 CYS 26 1HB CYS 26 247.782 -5.836 7.741
229 HB3 CYS 26 2HB CYS 26 247.638 -7.487 7.148
230 H LYS 27 H LYS 27 244.025 -5.446 5.981
231 HA LYS 27 HA LYS 27 242.833 -3.528 5.867
232 HB2 LYS 27 1HB LYS 27 243.858 -2.988 8.660
233 HB3 LYS 27 2HB LYS 27 242.594 -2.077 7.847
234 HG2 LYS 27 1HG LYS 27 242.449 -5.002 8.561
235 HG3 LYS 27 2HG LYS 27 241.697 -3.688 9.465
236 HD2 LYS 27 1HD LYS 27 240.397 -3.111 7.424
237 HD3 LYS 27 2HD LYS 27 241.079 -4.533 6.636
238 HE2 LYS 27 1HE LYS 27 239.386 -4.530 9.134
239 HE3 LYS 27 2HE LYS 27 238.846 -4.984 7.520
240 HZ1 LYS 27 1HZ LYS 27 240.527 -6.781 7.568
241 HZ2 LYS 27 2HZ LYS 27 239.333 -6.952 8.754
242 HZ3 LYS 27 3HZ LYS 27 240.868 -6.388 9.178
243 H LYS 28 H LYS 28 245.891 -3.795 5.462
244 HA LYS 28 HA LYS 28 246.684 -1.002 5.509
245 HB2 LYS 28 1HB LYS 28 248.123 -3.456 4.475
246 HB3 LYS 28 2HB LYS 28 248.805 -1.837 4.515
247 HG2 LYS 28 1HG LYS 28 247.888 -3.342 6.954
248 HG3 LYS 28 2HG LYS 28 249.552 -3.304 6.368
249 HD2 LYS 28 1HD LYS 28 249.625 -0.895 6.659
250 HD3 LYS 28 2HD LYS 28 247.936 -0.884 7.165
251 HE2 LYS 28 1HE LYS 28 248.465 -2.181 9.124
252 HE3 LYS 28 2HE LYS 28 250.137 -2.359 8.597
253 HZ1 LYS 28 1HZ LYS 28 249.796 -0.628 10.308
254 HZ2 LYS 28 2HZ LYS 28 248.862 0.250 9.203
255 HZ3 LYS 28 3HZ LYS 28 250.497 -0.040 8.888
256 H VAL 29 H VAL 29 246.780 0.315 3.777
257 HA VAL 29 HA VAL 29 245.251 -0.562 1.477
258 HB VAL 29 HB VAL 29 245.238 1.805 0.815
259 HG11 VAL 29 1HG1 VAL 29 243.856 2.622 2.672
260 HG12 VAL 29 2HG1 VAL 29 244.446 1.300 3.680
261 HG13 VAL 29 3HG1 VAL 29 243.475 0.953 2.250
262 HG21 VAL 29 1HG2 VAL 29 246.829 2.223 3.339
263 HG22 VAL 29 2HG2 VAL 29 246.127 3.504 2.350
264 HG23 VAL 29 3HG2 VAL 29 247.402 2.477 1.691
265 H ILE 30 H ILE 30 245.927 -0.321 -0.663
266 HA ILE 30 HA ILE 30 248.790 -0.018 -1.158
267 HB ILE 30 HB ILE 30 248.677 -2.200 -2.518
268 HG12 ILE 30 1HG1 ILE 30 246.367 -2.630 -0.613
269 HG13 ILE 30 2HG1 ILE 30 246.260 -2.532 -2.365
270 HG21 ILE 30 1HG2 ILE 30 248.673 -2.324 0.494
271 HG22 ILE 30 2HG2 ILE 30 250.054 -1.926 -0.530
272 HG23 ILE 30 3HG2 ILE 30 249.352 -3.542 -0.587
273 HD11 ILE 30 1HD1 ILE 30 246.130 -4.828 -1.459
274 HD12 ILE 30 2HD1 ILE 30 247.789 -4.651 -0.882
275 HD13 ILE 30 3HD1 ILE 30 247.442 -4.587 -2.609
276 H CYS 31 H CYS 31 249.276 0.024 -3.472
277 HA CYS 31 HA CYS 31 247.016 1.026 -5.035
278 HB2 CYS 31 1HB CYS 31 248.598 2.063 -6.481
279 HB3 CYS 31 2HB CYS 31 249.213 2.332 -4.855
280 H ARG 32 H ARG 32 246.465 0.094 -7.010
281 HA ARG 32 HA ARG 32 246.780 -2.716 -7.180
282 HB2 ARG 32 1HB ARG 32 245.694 -0.728 -9.177
283 HB3 ARG 32 2HB ARG 32 245.560 -2.474 -9.335
284 HG2 ARG 32 1HG ARG 32 244.140 -2.634 -7.458
285 HG3 ARG 32 2HG ARG 32 244.487 -0.974 -6.966
286 HD2 ARG 32 1HD ARG 32 243.017 -1.823 -9.457
287 HD3 ARG 32 2HD ARG 32 242.292 -1.134 -8.005
288 HE ARG 32 HE ARG 32 244.280 0.378 -9.562
289 HH11 ARG 32 1HH1 ARG 32 241.059 0.082 -8.221
290 HH12 ARG 32 2HH1 ARG 32 240.640 1.734 -8.541
291 HH21 ARG 32 1HH2 ARG 32 243.747 2.542 -9.972
292 HH22 ARG 32 2HH2 ARG 32 242.174 3.135 -9.541
293 H GLU 33 H GLU 33 248.659 -0.124 -8.279
294 HA GLU 33 HA GLU 33 250.004 -1.422 -10.420
295 HB2 GLU 33 1HB GLU 33 251.005 0.818 -8.649
296 HB3 GLU 33 2HB GLU 33 251.651 0.368 -10.218
297 HG2 GLU 33 1HG GLU 33 250.382 2.206 -10.738
298 HG3 GLU 33 2HG GLU 33 249.258 0.893 -11.069
299 H HIS 34 H HIS 34 250.126 -1.610 -7.013
300 HA HIS 34 HA HIS 34 252.652 -3.106 -7.094
301 HB2 HIS 34 1HB HIS 34 251.282 -1.507 -4.995
302 HB3 HIS 34 2HB HIS 34 252.136 -2.948 -4.453
303 HD2 HIS 34 HD2 HIS 34 254.671 -2.596 -6.569
304 HE1 HIS 34 HE1 HIS 34 255.282 0.926 -4.317
305 HE2 HIS 34 HE2 HIS 34 256.390 -0.832 -5.771
306 H ASN 35 H ASN 35 249.452 -3.248 -5.538
307 HA ASN 35 HA ASN 35 249.403 -6.134 -5.914
308 HB2 ASN 35 1HB ASN 35 249.401 -4.781 -3.219
309 HB3 ASN 35 2HB ASN 35 248.720 -6.386 -3.453
310 HD21 ASN 35 1HD2 ASN 35 250.101 -8.117 -3.887
311 HD22 ASN 35 2HD2 ASN 35 251.807 -8.012 -3.632
312 H ILE 36 H ILE 36 247.356 -6.949 -6.093
313 HA ILE 36 HA ILE 36 245.272 -4.934 -6.343
314 HB ILE 36 HB ILE 36 245.511 -6.364 -8.242
315 HG12 ILE 36 1HG1 ILE 36 243.027 -7.137 -6.696
316 HG13 ILE 36 2HG1 ILE 36 243.222 -5.689 -7.677
317 HG21 ILE 36 1HG2 ILE 36 245.142 -8.803 -8.127
318 HG22 ILE 36 2HG2 ILE 36 245.123 -8.688 -6.368
319 HG23 ILE 36 3HG2 ILE 36 246.584 -8.275 -7.263
320 HD11 ILE 36 1HD1 ILE 36 243.282 -8.522 -8.689
321 HD12 ILE 36 2HD1 ILE 36 243.460 -7.068 -9.669
322 HD13 ILE 36 3HD1 ILE 36 241.939 -7.391 -8.840
323 H ASP 37 H ASP 37 245.087 -4.606 -4.074
324 HA ASP 37 HA ASP 37 243.920 -4.723 -2.128
325 HB2 ASP 37 1HB ASP 37 242.218 -6.510 -3.843
326 HB3 ASP 37 2HB ASP 37 241.813 -6.180 -2.164
327 H MET 38 H MET 38 246.007 -6.843 -2.881
328 HA MET 38 HA MET 38 245.685 -8.319 -0.398
329 HB2 MET 38 1HB MET 38 246.341 -10.459 -1.520
330 HB3 MET 38 2HB MET 38 244.745 -9.879 -1.973
331 HG2 MET 38 1HG MET 38 245.694 -8.966 -4.053
332 HG3 MET 38 2HG MET 38 247.264 -9.624 -3.601
333 HE1 MET 38 1HE MET 38 247.815 -12.182 -3.448
334 HE2 MET 38 2HE MET 38 246.647 -13.470 -3.736
335 HE3 MET 38 3HE MET 38 246.490 -12.440 -2.314
336 H CYS 39 H CYS 39 247.499 -7.959 0.702
337 HA CYS 39 HA CYS 39 249.881 -7.147 -0.759
338 HB2 CYS 39 1HB CYS 39 250.612 -6.120 1.170
339 HB3 CYS 39 2HB CYS 39 248.875 -6.057 1.433
340 H GLN 40 H GLN 40 252.019 -7.989 0.232
341 HA GLN 40 HA GLN 40 251.939 -10.821 -0.333
342 HB2 GLN 40 1HB GLN 40 254.216 -8.896 0.110
343 HB3 GLN 40 2HB GLN 40 254.444 -10.605 -0.227
344 HG2 GLN 40 1HG GLN 40 253.309 -10.340 -2.366
345 HG3 GLN 40 2HG GLN 40 253.074 -8.625 -2.031
346 HE21 GLN 40 1HE2 GLN 40 254.814 -7.228 -2.185
347 HE22 GLN 40 2HE2 GLN 40 256.317 -7.685 -2.899
348 H SER 41 H SER 41 251.564 -9.131 2.453
349 HA SER 41 HA SER 41 253.046 -11.077 4.072
350 HB2 SER 41 1HB SER 41 253.506 -8.704 4.530
351 HB3 SER 41 2HB SER 41 251.800 -8.434 4.871
352 HG SER 41 HG SER 41 252.027 -9.973 6.599
353 H CYS 42 H CYS 42 250.217 -11.114 2.683
354 HA CYS 42 HA CYS 42 248.913 -12.423 4.965
355 HB2 CYS 42 1HB CYS 42 247.544 -10.579 3.002
356 HB3 CYS 42 2HB CYS 42 246.722 -11.561 4.207
357 H PHE 43 H PHE 43 247.016 -13.740 4.218
358 HA PHE 43 HA PHE 43 246.080 -15.402 3.022
359 HB2 PHE 43 1HB PHE 43 247.135 -13.926 0.604
360 HB3 PHE 43 2HB PHE 43 245.815 -15.090 0.632
361 HD1 PHE 43 HD1 PHE 43 246.527 -11.722 0.464
362 HD2 PHE 43 HD2 PHE 43 243.940 -14.432 2.482
363 HE1 PHE 43 HE1 PHE 43 244.940 -9.891 0.885
364 HE2 PHE 43 HE2 PHE 43 242.349 -12.604 2.904
365 HZ PHE 43 HZ PHE 43 242.846 -10.331 2.104
Start of MODEL 10
1 H1 VAL 1 1H VAL 1 249.214 14.650 12.250
2 H2 VAL 1 2H VAL 1 249.455 15.990 11.249
3 H3 VAL 1 3H VAL 1 250.382 14.593 11.031
4 HA VAL 1 HA VAL 1 247.453 14.791 10.641
5 HB VAL 1 HB VAL 1 247.944 14.450 8.247
6 HG11 VAL 1 1HG1 VAL 1 249.334 16.852 9.429
7 HG12 VAL 1 2HG1 VAL 1 247.616 16.720 9.059
8 HG13 VAL 1 3HG1 VAL 1 248.804 16.694 7.756
9 HG21 VAL 1 1HG2 VAL 1 250.080 13.312 8.429
10 HG22 VAL 1 2HG2 VAL 1 250.829 14.773 9.073
11 HG23 VAL 1 3HG2 VAL 1 250.241 14.744 7.411
12 H MET 2 H MET 2 246.852 12.834 9.126
13 HA MET 2 HA MET 2 248.377 10.441 9.814
14 HB2 MET 2 1HB MET 2 246.409 10.943 11.472
15 HB3 MET 2 2HB MET 2 245.393 10.387 10.152
16 HG2 MET 2 1HG MET 2 247.557 8.807 11.529
17 HG3 MET 2 2HG MET 2 245.820 8.599 11.724
18 HE1 MET 2 1HE MET 2 245.884 6.038 11.221
19 HE2 MET 2 2HE MET 2 247.641 6.146 11.140
20 HE3 MET 2 3HE MET 2 246.749 5.325 9.860
21 H LYS 3 H LYS 3 248.937 10.478 7.622
22 HA LYS 3 HA LYS 3 246.751 9.843 5.750
23 HB2 LYS 3 1HB LYS 3 249.534 10.861 5.130
24 HB3 LYS 3 2HB LYS 3 248.265 10.552 3.955
25 HG2 LYS 3 1HG LYS 3 248.156 12.628 6.135
26 HG3 LYS 3 2HG LYS 3 248.523 12.936 4.436
27 HD2 LYS 3 1HD LYS 3 246.297 12.018 3.842
28 HD3 LYS 3 2HD LYS 3 245.941 11.858 5.562
29 HE2 LYS 3 1HE LYS 3 246.271 14.290 5.825
30 HE3 LYS 3 2HE LYS 3 246.541 14.420 4.088
31 HZ1 LYS 3 1HZ LYS 3 244.045 13.466 5.379
32 HZ2 LYS 3 2HZ LYS 3 244.303 13.593 3.715
33 HZ3 LYS 3 3HZ LYS 3 244.271 14.984 4.674
34 H LYS 4 H LYS 4 248.308 8.122 7.663
35 HA LYS 4 HA LYS 4 250.159 6.566 6.176
36 HB2 LYS 4 1HB LYS 4 248.720 5.915 8.748
37 HB3 LYS 4 2HB LYS 4 250.109 5.047 8.108
38 HG2 LYS 4 1HG LYS 4 251.485 7.033 8.333
39 HG3 LYS 4 2HG LYS 4 250.094 7.948 8.918
40 HD2 LYS 4 1HD LYS 4 249.921 6.423 10.837
41 HD3 LYS 4 2HD LYS 4 251.344 5.554 10.259
42 HE2 LYS 4 1HE LYS 4 252.684 7.582 10.491
43 HE3 LYS 4 2HE LYS 4 251.263 8.467 11.043
44 HZ1 LYS 4 1HZ LYS 4 251.137 6.972 12.946
45 HZ2 LYS 4 2HZ LYS 4 252.618 7.785 12.900
46 HZ3 LYS 4 3HZ LYS 4 252.528 6.164 12.424
47 H ARG 5 H ARG 5 246.733 6.330 6.799
48 HA ARG 5 HA ARG 5 246.642 3.875 5.194
49 HB2 ARG 5 1HB ARG 5 244.572 5.118 7.008
50 HB3 ARG 5 2HB ARG 5 244.259 3.726 5.980
51 HG2 ARG 5 1HG ARG 5 246.057 2.503 7.150
52 HG3 ARG 5 2HG ARG 5 246.255 3.886 8.228
53 HD2 ARG 5 1HD ARG 5 243.721 2.287 7.884
54 HD3 ARG 5 2HD ARG 5 244.869 2.100 9.209
55 HE ARG 5 HE ARG 5 243.561 4.694 8.754
56 HH11 ARG 5 1HH1 ARG 5 244.117 1.892 10.777
57 HH12 ARG 5 2HH1 ARG 5 243.348 2.588 12.166
58 HH21 ARG 5 1HH2 ARG 5 242.561 5.615 10.581
59 HH22 ARG 5 2HH2 ARG 5 242.477 4.710 12.059
60 H THR 6 H THR 6 246.940 6.809 4.433
61 HA THR 6 HA THR 6 244.700 7.005 2.546
62 HB THR 6 HB THR 6 246.803 9.055 3.278
63 HG1 THR 6 HG1 THR 6 244.651 8.311 4.597
64 HG21 THR 6 1HG2 THR 6 245.407 10.637 2.041
65 HG22 THR 6 2HG2 THR 6 244.324 9.324 1.580
66 HG23 THR 6 3HG2 THR 6 245.987 9.342 0.994
67 H TYR 7 H TYR 7 248.219 7.025 2.758
68 HA TYR 7 HA TYR 7 248.386 6.765 -0.154
69 HB2 TYR 7 1HB TYR 7 250.465 7.478 1.920
70 HB3 TYR 7 2HB TYR 7 250.841 7.197 0.223
71 HD1 TYR 7 HD1 TYR 7 249.538 8.638 -1.493
72 HD2 TYR 7 HD2 TYR 7 249.896 9.619 2.629
73 HE1 TYR 7 HE1 TYR 7 249.036 10.981 -2.015
74 HE2 TYR 7 HE2 TYR 7 249.390 11.969 2.119
75 HH TYR 7 HH TYR 7 248.290 12.980 -1.012
76 H CYS 8 H CYS 8 249.364 5.089 -1.119
77 HA CYS 8 HA CYS 8 249.056 2.550 -0.159
78 HB2 CYS 8 1HB CYS 8 249.357 2.956 -2.483
79 HB3 CYS 8 2HB CYS 8 250.955 3.637 -2.225
80 H THR 9 H THR 9 249.996 1.350 1.304
81 HA THR 9 HA THR 9 252.226 2.259 2.813
82 HB THR 9 HB THR 9 250.929 -0.475 2.823
83 HG1 THR 9 HG1 THR 9 249.968 1.957 3.534
84 HG21 THR 9 1HG2 THR 9 251.690 -0.572 5.147
85 HG22 THR 9 2HG2 THR 9 252.468 1.000 4.963
86 HG23 THR 9 3HG2 THR 9 253.051 -0.385 4.042
87 H TYR 10 H TYR 10 251.917 0.347 -0.016
88 HA TYR 10 HA TYR 10 254.489 -0.951 0.281
89 HB2 TYR 10 1HB TYR 10 252.316 -1.027 -1.774
90 HB3 TYR 10 2HB TYR 10 253.924 -1.616 -2.184
91 HD1 TYR 10 HD1 TYR 10 251.584 -1.930 0.724
92 HD2 TYR 10 HD2 TYR 10 254.156 -3.882 -2.042
93 HE1 TYR 10 HE1 TYR 10 251.070 -4.084 1.781
94 HE2 TYR 10 HE2 TYR 10 253.651 -6.044 -0.992
95 HH TYR 10 HH TYR 10 252.887 -6.862 1.231
96 H CYS 11 H CYS 11 253.180 1.893 -1.170
97 HA CYS 11 HA CYS 11 255.409 2.335 -2.938
98 HB2 CYS 11 1HB CYS 11 252.966 3.882 -2.175
99 HB3 CYS 11 2HB CYS 11 254.305 4.731 -2.934
100 HA PRO 12 HA PRO 12 258.162 4.272 0.009
101 HB2 PRO 12 1HB PRO 12 259.017 5.891 -2.321
102 HB3 PRO 12 2HB PRO 12 259.978 4.849 -1.268
103 HG2 PRO 12 1HG PRO 12 259.384 4.122 -3.772
104 HG3 PRO 12 2HG PRO 12 259.450 2.938 -2.455
105 HD2 PRO 12 1HD PRO 12 257.068 4.176 -3.772
106 HD3 PRO 12 2HD PRO 12 257.310 2.511 -3.204
107 H SER 13 H SER 13 258.316 6.244 1.085
108 HA SER 13 HA SER 13 255.959 7.768 1.114
109 HB2 SER 13 1HB SER 13 258.612 8.511 2.355
110 HB3 SER 13 2HB SER 13 257.013 9.056 2.857
111 HG SER 13 HG SER 13 256.981 6.407 2.834
112 H LYS 14 H LYS 14 258.916 8.203 -0.653
113 HA LYS 14 HA LYS 14 258.465 10.969 -1.269
114 HB2 LYS 14 1HB LYS 14 260.233 8.901 -2.586
115 HB3 LYS 14 2HB LYS 14 260.213 10.607 -3.014
116 HG2 LYS 14 1HG LYS 14 260.922 9.513 -0.303
117 HG3 LYS 14 2HG LYS 14 262.079 10.015 -1.535
118 HD2 LYS 14 1HD LYS 14 261.128 12.286 -1.465
119 HD3 LYS 14 2HD LYS 14 260.024 11.768 -0.190
120 HE2 LYS 14 1HE LYS 14 261.922 11.250 1.252
121 HE3 LYS 14 2HE LYS 14 263.035 11.736 -0.023
122 HZ1 LYS 14 1HZ LYS 14 261.047 13.520 1.272
123 HZ2 LYS 14 2HZ LYS 14 262.187 13.973 0.107
124 HZ3 LYS 14 3HZ LYS 14 262.697 13.473 1.639
125 H ILE 15 H ILE 15 257.242 7.996 -2.400
126 HA ILE 15 HA ILE 15 256.217 9.257 -4.846
127 HB ILE 15 HB ILE 15 256.384 6.310 -4.186
128 HG12 ILE 15 1HG1 ILE 15 258.086 8.033 -6.004
129 HG13 ILE 15 2HG1 ILE 15 258.606 7.291 -4.495
130 HG21 ILE 15 1HG2 ILE 15 255.666 7.711 -6.761
131 HG22 ILE 15 2HG2 ILE 15 254.549 6.850 -5.704
132 HG23 ILE 15 3HG2 ILE 15 255.824 5.968 -6.544
133 HD11 ILE 15 1HD1 ILE 15 257.789 5.840 -6.998
134 HD12 ILE 15 2HD1 ILE 15 258.282 5.080 -5.487
135 HD13 ILE 15 3HD1 ILE 15 259.434 6.054 -6.399
136 H ARG 16 H ARG 16 254.664 10.372 -3.545
137 HA ARG 16 HA ARG 16 252.817 8.972 -1.885
138 HB2 ARG 16 1HB ARG 16 252.890 11.789 -2.940
139 HB3 ARG 16 2HB ARG 16 251.555 11.188 -1.967
140 HG2 ARG 16 1HG ARG 16 253.157 10.649 -0.166
141 HG3 ARG 16 2HG ARG 16 254.443 11.372 -1.137
142 HD2 ARG 16 1HD ARG 16 253.311 13.512 -1.096
143 HD3 ARG 16 2HD ARG 16 251.951 12.805 -0.224
144 HE ARG 16 HE ARG 16 254.414 12.438 1.166
145 HH11 ARG 16 1HH1 ARG 16 251.929 14.805 0.480
146 HH12 ARG 16 2HH1 ARG 16 252.167 15.672 1.960
147 HH21 ARG 16 1HH2 ARG 16 254.748 13.594 3.112
148 HH22 ARG 16 2HH2 ARG 16 253.775 14.991 3.456
149 H ARG 17 H ARG 17 251.736 7.433 -2.986
150 HA ARG 17 HA ARG 17 249.880 8.388 -5.060
151 HB2 ARG 17 1HB ARG 17 251.062 5.644 -4.615
152 HB3 ARG 17 2HB ARG 17 249.712 5.945 -5.699
153 HG2 ARG 17 1HG ARG 17 251.102 7.444 -7.029
154 HG3 ARG 17 2HG ARG 17 252.458 7.153 -5.938
155 HD2 ARG 17 1HD ARG 17 252.443 4.789 -6.527
156 HD3 ARG 17 2HD ARG 17 251.049 5.046 -7.575
157 HE ARG 17 HE ARG 17 253.230 6.731 -8.297
158 HH11 ARG 17 1HH1 ARG 17 252.048 3.455 -8.525
159 HH12 ARG 17 2HH1 ARG 17 252.892 3.103 -10.001
160 HH21 ARG 17 1HH2 ARG 17 254.354 6.293 -10.234
161 HH22 ARG 17 2HH2 ARG 17 254.202 4.734 -10.978
162 H LYS 18 H LYS 18 247.801 8.391 -4.557
163 HA LYS 18 HA LYS 18 246.862 7.660 -2.001
164 HB2 LYS 18 1HB LYS 18 245.363 8.240 -4.563
165 HB3 LYS 18 2HB LYS 18 244.583 7.998 -3.008
166 HG2 LYS 18 1HG LYS 18 246.582 10.171 -3.597
167 HG3 LYS 18 2HG LYS 18 244.829 10.374 -3.624
168 HD2 LYS 18 1HD LYS 18 244.786 9.621 -1.243
169 HD3 LYS 18 2HD LYS 18 246.550 9.645 -1.260
170 HE2 LYS 18 1HE LYS 18 245.768 11.698 -0.299
171 HE3 LYS 18 2HE LYS 18 246.465 12.043 -1.881
172 HZ1 LYS 18 1HZ LYS 18 244.412 13.242 -1.580
173 HZ2 LYS 18 2HZ LYS 18 243.570 11.812 -1.260
174 HZ3 LYS 18 3HZ LYS 18 244.217 12.088 -2.800
175 H ALA 19 H ALA 19 246.034 5.826 -1.239
176 HA ALA 19 HA ALA 19 246.297 3.453 -2.857
177 HB1 ALA 19 1HB ALA 19 245.376 3.752 -0.005
178 HB2 ALA 19 2HB ALA 19 247.042 3.496 -0.522
179 HB3 ALA 19 3HB ALA 19 245.828 2.249 -0.808
180 H ASN 20 H ASN 20 244.706 3.075 -4.279
181 HA ASN 20 HA ASN 20 241.931 3.535 -3.487
182 HB2 ASN 20 1HB ASN 20 243.218 2.948 -6.150
183 HB3 ASN 20 2HB ASN 20 241.475 2.864 -5.919
184 HD21 ASN 20 1HD2 ASN 20 244.255 4.963 -6.008
185 HD22 ASN 20 2HD2 ASN 20 243.371 6.445 -6.117
186 H ALA 21 H ALA 21 243.714 1.374 -2.499
187 HA ALA 21 HA ALA 21 241.671 -0.653 -2.486
188 HB1 ALA 21 1HB ALA 21 243.256 -2.483 -3.080
189 HB2 ALA 21 2HB ALA 21 244.419 -1.253 -3.579
190 HB3 ALA 21 3HB ALA 21 242.881 -1.406 -4.426
191 H SER 22 H SER 22 242.137 -2.272 -0.781
192 HA SER 22 HA SER 22 244.285 -1.682 1.059
193 HB2 SER 22 1HB SER 22 241.427 -1.318 1.986
194 HB3 SER 22 2HB SER 22 242.890 -1.082 2.941
195 HG SER 22 HG SER 22 243.172 0.449 0.841
196 H CYS 23 H CYS 23 244.811 -3.468 2.239
197 HA CYS 23 HA CYS 23 243.355 -5.892 1.720
198 HB2 CYS 23 1HB CYS 23 245.926 -5.580 2.105
199 HB3 CYS 23 2HB CYS 23 245.497 -5.685 3.810
200 H LYS 24 H LYS 24 241.720 -6.662 2.881
201 HA LYS 24 HA LYS 24 240.584 -4.920 4.837
202 HB2 LYS 24 1HB LYS 24 239.669 -7.600 3.792
203 HB3 LYS 24 2HB LYS 24 238.707 -6.539 4.814
204 HG2 LYS 24 1HG LYS 24 238.593 -4.873 3.127
205 HG3 LYS 24 2HG LYS 24 239.798 -5.700 2.140
206 HD2 LYS 24 1HD LYS 24 238.238 -7.588 1.869
207 HD3 LYS 24 2HD LYS 24 237.029 -6.698 2.796
208 HE2 LYS 24 1HE LYS 24 236.653 -6.494 0.383
209 HE3 LYS 24 2HE LYS 24 237.013 -4.934 1.122
210 HZ1 LYS 24 1HZ LYS 24 238.953 -6.623 -0.370
211 HZ2 LYS 24 2HZ LYS 24 239.283 -5.116 0.323
212 HZ3 LYS 24 3HZ LYS 24 238.195 -5.233 -0.965
213 H LYS 25 H LYS 25 242.330 -7.933 4.992
214 HA LYS 25 HA LYS 25 241.572 -8.370 7.756
215 HB2 LYS 25 1HB LYS 25 241.813 -10.298 6.296
216 HB3 LYS 25 2HB LYS 25 243.475 -9.860 5.950
217 HG2 LYS 25 1HG LYS 25 243.436 -11.679 7.511
218 HG3 LYS 25 2HG LYS 25 244.041 -10.232 8.320
219 HD2 LYS 25 1HD LYS 25 241.847 -9.868 9.326
220 HD3 LYS 25 2HD LYS 25 241.218 -11.289 8.490
221 HE2 LYS 25 1HE LYS 25 241.761 -11.819 10.804
222 HE3 LYS 25 2HE LYS 25 242.812 -12.701 9.697
223 HZ1 LYS 25 1HZ LYS 25 244.075 -11.802 11.524
224 HZ2 LYS 25 2HZ LYS 25 243.527 -10.239 11.194
225 HZ3 LYS 25 3HZ LYS 25 244.534 -11.032 10.092
226 H CYS 26 H CYS 26 244.358 -7.198 5.952
227 HA CYS 26 HA CYS 26 245.950 -7.124 8.397
228 HB2 CYS 26 1HB CYS 26 246.856 -6.316 5.640
229 HB3 CYS 26 2HB CYS 26 247.851 -6.773 7.018
230 H LYS 27 H LYS 27 244.041 -5.028 6.504
231 HA LYS 27 HA LYS 27 243.486 -2.847 6.709
232 HB2 LYS 27 1HB LYS 27 245.065 -3.041 9.274
233 HB3 LYS 27 2HB LYS 27 244.127 -1.633 8.802
234 HG2 LYS 27 1HG LYS 27 243.015 -4.398 9.247
235 HG3 LYS 27 2HG LYS 27 242.931 -3.062 10.395
236 HD2 LYS 27 1HD LYS 27 241.707 -3.086 7.635
237 HD3 LYS 27 2HD LYS 27 240.837 -3.340 9.144
238 HE2 LYS 27 1HE LYS 27 242.333 -0.835 8.380
239 HE3 LYS 27 2HE LYS 27 240.585 -1.047 8.309
240 HZ1 LYS 27 1HZ LYS 27 241.214 0.106 10.310
241 HZ2 LYS 27 2HZ LYS 27 242.259 -1.143 10.760
242 HZ3 LYS 27 3HZ LYS 27 240.590 -1.414 10.711
243 H LYS 28 H LYS 28 246.059 -3.723 5.437
244 HA LYS 28 HA LYS 28 247.524 -1.191 5.541
245 HB2 LYS 28 1HB LYS 28 248.198 -3.851 4.281
246 HB3 LYS 28 2HB LYS 28 249.149 -2.397 4.017
247 HG2 LYS 28 1HG LYS 28 249.599 -2.263 6.419
248 HG3 LYS 28 2HG LYS 28 248.665 -3.742 6.667
249 HD2 LYS 28 1HD LYS 28 250.217 -4.991 5.292
250 HD3 LYS 28 2HD LYS 28 251.115 -3.519 4.920
251 HE2 LYS 28 1HE LYS 28 251.728 -3.277 7.260
252 HE3 LYS 28 2HE LYS 28 250.778 -4.701 7.672
253 HZ1 LYS 28 1HZ LYS 28 253.158 -4.661 5.901
254 HZ2 LYS 28 2HZ LYS 28 252.248 -6.033 6.293
255 HZ3 LYS 28 3HZ LYS 28 253.123 -5.228 7.494
256 H VAL 29 H VAL 29 247.445 0.248 3.920
257 HA VAL 29 HA VAL 29 245.492 -0.280 1.826
258 HB VAL 29 HB VAL 29 245.579 2.135 1.380
259 HG11 VAL 29 1HG1 VAL 29 245.181 1.437 4.285
260 HG12 VAL 29 2HG1 VAL 29 243.987 1.269 2.997
261 HG13 VAL 29 3HG1 VAL 29 244.549 2.871 3.476
262 HG21 VAL 29 1HG2 VAL 29 246.818 3.632 2.863
263 HG22 VAL 29 2HG2 VAL 29 247.907 2.560 1.985
264 HG23 VAL 29 3HG2 VAL 29 247.532 2.239 3.677
265 H ILE 30 H ILE 30 245.925 -0.123 -0.355
266 HA ILE 30 HA ILE 30 248.749 0.039 -1.129
267 HB ILE 30 HB ILE 30 248.410 -2.017 -2.557
268 HG12 ILE 30 1HG1 ILE 30 245.933 -2.204 -0.837
269 HG13 ILE 30 2HG1 ILE 30 246.029 -2.219 -2.591
270 HG21 ILE 30 1HG2 ILE 30 248.851 -3.578 -0.719
271 HG22 ILE 30 2HG2 ILE 30 248.286 -2.369 0.436
272 HG23 ILE 30 3HG2 ILE 30 249.738 -2.065 -0.520
273 HD11 ILE 30 1HD1 ILE 30 247.236 -4.400 -2.411
274 HD12 ILE 30 2HD1 ILE 30 245.557 -4.425 -1.876
275 HD13 ILE 30 3HD1 ILE 30 246.862 -4.386 -0.689
276 H CYS 31 H CYS 31 249.109 0.603 -3.281
277 HA CYS 31 HA CYS 31 246.930 2.010 -4.549
278 HB2 CYS 31 1HB CYS 31 248.572 2.841 -6.108
279 HB3 CYS 31 2HB CYS 31 249.280 2.918 -4.500
280 H ARG 32 H ARG 32 246.580 1.661 -6.978
281 HA ARG 32 HA ARG 32 245.640 -0.951 -7.326
282 HB2 ARG 32 1HB ARG 32 246.240 1.055 -9.501
283 HB3 ARG 32 2HB ARG 32 245.176 -0.336 -9.635
284 HG2 ARG 32 1HG ARG 32 244.760 2.118 -7.947
285 HG3 ARG 32 2HG ARG 32 243.845 1.629 -9.370
286 HD2 ARG 32 1HD ARG 32 243.941 0.179 -6.724
287 HD3 ARG 32 2HD ARG 32 242.605 1.156 -7.325
288 HE ARG 32 HE ARG 32 243.214 -0.894 -9.168
289 HH11 ARG 32 1HH1 ARG 32 241.709 -0.374 -6.047
290 HH12 ARG 32 2HH1 ARG 32 240.676 -1.760 -6.179
291 HH21 ARG 32 1HH2 ARG 32 241.847 -2.712 -9.343
292 HH22 ARG 32 2HH2 ARG 32 240.750 -3.083 -8.051
293 H GLU 33 H GLU 33 248.636 0.568 -8.300
294 HA GLU 33 HA GLU 33 249.598 -1.500 -9.975
295 HB2 GLU 33 1HB GLU 33 250.436 0.842 -9.956
296 HB3 GLU 33 2HB GLU 33 251.174 0.533 -8.392
297 HG2 GLU 33 1HG GLU 33 252.517 -1.269 -9.471
298 HG3 GLU 33 2HG GLU 33 251.874 -0.736 -11.024
299 H HIS 34 H HIS 34 249.484 -1.115 -6.535
300 HA HIS 34 HA HIS 34 251.290 -3.428 -6.199
301 HB2 HIS 34 1HB HIS 34 250.689 -1.103 -4.374
302 HB3 HIS 34 2HB HIS 34 251.381 -2.597 -3.759
303 HD2 HIS 34 HD2 HIS 34 253.525 -2.964 -6.297
304 HE1 HIS 34 HE1 HIS 34 255.064 0.634 -4.681
305 HE2 HIS 34 HE2 HIS 34 255.623 -1.470 -5.990
306 H ASN 35 H ASN 35 248.350 -3.332 -6.809
307 HA ASN 35 HA ASN 35 247.315 -4.426 -4.287
308 HB2 ASN 35 1HB ASN 35 245.572 -3.046 -4.418
309 HB3 ASN 35 2HB ASN 35 246.372 -2.256 -5.765
310 HD21 ASN 35 1HD2 ASN 35 245.800 -2.937 -7.926
311 HD22 ASN 35 2HD2 ASN 35 244.251 -3.653 -8.219
312 H ILE 36 H ILE 36 246.408 -6.339 -4.218
313 HA ILE 36 HA ILE 36 245.210 -7.439 -6.670
314 HB ILE 36 HB ILE 36 245.649 -9.734 -5.775
315 HG12 ILE 36 1HG1 ILE 36 247.514 -8.300 -3.871
316 HG13 ILE 36 2HG1 ILE 36 246.014 -9.098 -3.417
317 HG21 ILE 36 1HG2 ILE 36 247.044 -8.852 -7.540
318 HG22 ILE 36 2HG2 ILE 36 248.014 -9.831 -6.439
319 HG23 ILE 36 3HG2 ILE 36 248.092 -8.072 -6.356
320 HD11 ILE 36 1HD1 ILE 36 246.941 -11.242 -4.101
321 HD12 ILE 36 2HD1 ILE 36 247.957 -10.460 -2.889
322 HD13 ILE 36 3HD1 ILE 36 248.439 -10.446 -4.585
323 H ASP 37 H ASP 37 244.172 -5.704 -4.709
324 HA ASP 37 HA ASP 37 242.501 -5.326 -3.235
325 HB2 ASP 37 1HB ASP 37 241.107 -6.879 -4.538
326 HB3 ASP 37 2HB ASP 37 241.749 -8.232 -3.612
327 H MET 38 H MET 38 244.173 -8.366 -2.721
328 HA MET 38 HA MET 38 244.332 -7.833 0.149
329 HB2 MET 38 1HB MET 38 245.394 -10.168 -1.469
330 HB3 MET 38 2HB MET 38 245.394 -10.049 0.284
331 HG2 MET 38 1HG MET 38 242.947 -10.027 0.279
332 HG3 MET 38 2HG MET 38 242.959 -10.173 -1.478
333 HE1 MET 38 1HE MET 38 245.445 -12.192 -1.884
334 HE2 MET 38 2HE MET 38 243.925 -12.284 -2.772
335 HE3 MET 38 3HE MET 38 244.568 -13.718 -1.972
336 H CYS 39 H CYS 39 246.611 -8.204 1.073
337 HA CYS 39 HA CYS 39 248.491 -6.712 -0.608
338 HB2 CYS 39 1HB CYS 39 249.520 -5.880 1.340
339 HB3 CYS 39 2HB CYS 39 247.801 -5.824 1.691
340 H GLN 40 H GLN 40 250.617 -7.375 -0.815
341 HA GLN 40 HA GLN 40 250.931 -10.128 -1.281
342 HB2 GLN 40 1HB GLN 40 253.003 -7.936 -1.129
343 HB3 GLN 40 2HB GLN 40 253.293 -9.548 -1.765
344 HG2 GLN 40 1HG GLN 40 251.808 -9.189 -3.581
345 HG3 GLN 40 2HG GLN 40 251.226 -7.680 -2.881
346 HE21 GLN 40 1HE2 GLN 40 251.773 -6.530 -4.731
347 HE22 GLN 40 2HE2 GLN 40 253.410 -6.150 -5.132
348 H SER 41 H SER 41 251.432 -8.259 1.534
349 HA SER 41 HA SER 41 253.500 -9.739 2.756
350 HB2 SER 41 1HB SER 41 252.702 -7.432 3.410
351 HB3 SER 41 2HB SER 41 251.306 -8.201 4.161
352 HG SER 41 HG SER 41 254.043 -8.500 4.846
353 H CYS 42 H CYS 42 250.176 -10.438 2.238
354 HA CYS 42 HA CYS 42 250.359 -12.668 4.157
355 HB2 CYS 42 1HB CYS 42 247.902 -12.580 4.327
356 HB3 CYS 42 2HB CYS 42 248.648 -11.069 4.838
357 H PHE 43 H PHE 43 250.958 -12.281 1.150
358 HA PHE 43 HA PHE 43 249.074 -13.977 -0.177
359 HB2 PHE 43 1HB PHE 43 250.393 -12.230 -1.356
360 HB3 PHE 43 2HB PHE 43 251.853 -13.166 -1.062
361 HD1 PHE 43 HD1 PHE 43 248.529 -13.335 -2.705
362 HD2 PHE 43 HD2 PHE 43 252.521 -14.808 -2.571
363 HE1 PHE 43 HE1 PHE 43 248.137 -14.578 -4.792
364 HE2 PHE 43 HE2 PHE 43 252.134 -16.053 -4.658
365 HZ PHE 43 HZ PHE 43 249.941 -15.939 -5.771
Start of MODEL 11
1 H1 VAL 1 1H VAL 1 248.191 6.674 11.042
2 H2 VAL 1 2H VAL 1 249.328 6.657 12.292
3 H3 VAL 1 3H VAL 1 249.243 7.982 11.249
4 HA VAL 1 HA VAL 1 247.137 7.127 13.143
5 HB VAL 1 HB VAL 1 248.880 9.600 13.228
6 HG11 VAL 1 1HG1 VAL 1 246.848 8.537 15.188
7 HG12 VAL 1 2HG1 VAL 1 246.658 9.955 14.155
8 HG13 VAL 1 3HG1 VAL 1 247.873 9.951 15.434
9 HG21 VAL 1 1HG2 VAL 1 248.980 7.121 14.946
10 HG22 VAL 1 2HG2 VAL 1 249.909 8.594 15.219
11 HG23 VAL 1 3HG2 VAL 1 250.196 7.626 13.774
12 H MET 2 H MET 2 248.241 9.828 11.052
13 HA MET 2 HA MET 2 245.438 10.182 10.254
14 HB2 MET 2 1HB MET 2 245.797 12.661 10.294
15 HB3 MET 2 2HB MET 2 245.784 11.902 11.879
16 HG2 MET 2 1HG MET 2 248.183 12.022 12.011
17 HG3 MET 2 2HG MET 2 248.276 12.639 10.362
18 HE1 MET 2 1HE MET 2 245.981 14.750 10.152
19 HE2 MET 2 2HE MET 2 247.640 15.035 9.627
20 HE3 MET 2 3HE MET 2 246.827 16.212 10.656
21 H LYS 3 H LYS 3 245.246 9.976 8.165
22 HA LYS 3 HA LYS 3 245.547 10.132 5.930
23 HB2 LYS 3 1HB LYS 3 247.271 12.476 6.722
24 HB3 LYS 3 2HB LYS 3 246.780 12.117 5.073
25 HG2 LYS 3 1HG LYS 3 244.926 12.744 7.362
26 HG3 LYS 3 2HG LYS 3 245.390 13.854 6.070
27 HD2 LYS 3 1HD LYS 3 244.406 12.271 4.430
28 HD3 LYS 3 2HD LYS 3 243.849 11.276 5.776
29 HE2 LYS 3 1HE LYS 3 242.521 13.158 6.609
30 HE3 LYS 3 2HE LYS 3 243.068 14.142 5.253
31 HZ1 LYS 3 1HZ LYS 3 241.980 12.641 3.738
32 HZ2 LYS 3 2HZ LYS 3 240.863 13.178 4.889
33 HZ3 LYS 3 3HZ LYS 3 241.516 11.624 5.006
34 H LYS 4 H LYS 4 247.406 8.472 7.493
35 HA LYS 4 HA LYS 4 249.717 8.481 5.689
36 HB2 LYS 4 1HB LYS 4 249.281 6.912 8.237
37 HB3 LYS 4 2HB LYS 4 250.749 6.907 7.269
38 HG2 LYS 4 1HG LYS 4 249.596 9.211 8.820
39 HG3 LYS 4 2HG LYS 4 251.091 8.332 9.150
40 HD2 LYS 4 1HD LYS 4 252.048 9.154 7.061
41 HD3 LYS 4 2HD LYS 4 250.543 9.997 6.693
42 HE2 LYS 4 1HE LYS 4 250.855 11.294 8.812
43 HE3 LYS 4 2HE LYS 4 252.451 10.558 8.954
44 HZ1 LYS 4 1HZ LYS 4 252.548 12.744 7.919
45 HZ2 LYS 4 2HZ LYS 4 251.524 12.224 6.679
46 HZ3 LYS 4 3HZ LYS 4 253.063 11.543 6.843
47 H ARG 5 H ARG 5 246.824 6.831 6.451
48 HA ARG 5 HA ARG 5 247.582 4.577 4.744
49 HB2 ARG 5 1HB ARG 5 245.211 4.923 6.581
50 HB3 ARG 5 2HB ARG 5 245.504 3.506 5.582
51 HG2 ARG 5 1HG ARG 5 247.671 3.203 6.776
52 HG3 ARG 5 2HG ARG 5 247.192 4.511 7.858
53 HD2 ARG 5 1HD ARG 5 245.720 1.916 7.437
54 HD3 ARG 5 2HD ARG 5 246.703 2.337 8.838
55 HE ARG 5 HE ARG 5 244.580 4.199 8.335
56 HH11 ARG 5 1HH1 ARG 5 245.461 1.208 9.921
57 HH12 ARG 5 2HH1 ARG 5 244.123 1.256 11.024
58 HH21 ARG 5 1HH2 ARG 5 242.849 4.287 9.791
59 HH22 ARG 5 2HH2 ARG 5 242.640 3.023 10.958
60 H THR 6 H THR 6 246.742 7.439 4.077
61 HA THR 6 HA THR 6 244.559 6.939 2.231
62 HB THR 6 HB THR 6 246.349 9.375 2.441
63 HG1 THR 6 HG1 THR 6 244.553 8.460 4.190
64 HG21 THR 6 1HG2 THR 6 245.073 9.232 0.357
65 HG22 THR 6 2HG2 THR 6 244.482 10.545 1.376
66 HG23 THR 6 3HG2 THR 6 243.582 9.030 1.280
67 H TYR 7 H TYR 7 247.890 6.601 2.421
68 HA TYR 7 HA TYR 7 248.206 6.523 -0.498
69 HB2 TYR 7 1HB TYR 7 250.264 7.187 1.620
70 HB3 TYR 7 2HB TYR 7 250.600 7.040 -0.102
71 HD1 TYR 7 HD1 TYR 7 249.331 9.172 2.526
72 HD2 TYR 7 HD2 TYR 7 249.587 8.673 -1.691
73 HE1 TYR 7 HE1 TYR 7 248.755 11.540 2.216
74 HE2 TYR 7 HE2 TYR 7 249.024 11.038 -2.011
75 HH TYR 7 HH TYR 7 249.073 13.304 0.490
76 H CYS 8 H CYS 8 249.400 4.864 -1.369
77 HA CYS 8 HA CYS 8 249.012 2.333 -0.271
78 HB2 CYS 8 1HB CYS 8 249.217 2.552 -2.617
79 HB3 CYS 8 2HB CYS 8 250.774 3.351 -2.486
80 H THR 9 H THR 9 250.041 1.199 1.176
81 HA THR 9 HA THR 9 252.233 2.200 2.641
82 HB THR 9 HB THR 9 251.304 -0.670 2.613
83 HG1 THR 9 HG1 THR 9 249.441 0.493 2.901
84 HG21 THR 9 1HG2 THR 9 251.895 -0.545 5.012
85 HG22 THR 9 2HG2 THR 9 252.492 1.094 4.755
86 HG23 THR 9 3HG2 THR 9 253.278 -0.268 3.953
87 H TYR 10 H TYR 10 251.990 0.035 -0.086
88 HA TYR 10 HA TYR 10 254.695 -0.915 0.148
89 HB2 TYR 10 1HB TYR 10 252.458 -1.347 -1.774
90 HB3 TYR 10 2HB TYR 10 254.100 -1.699 -2.309
91 HD1 TYR 10 HD1 TYR 10 254.756 -3.881 -2.100
92 HD2 TYR 10 HD2 TYR 10 252.010 -2.309 0.739
93 HE1 TYR 10 HE1 TYR 10 254.692 -6.061 -0.967
94 HE2 TYR 10 HE2 TYR 10 251.932 -4.481 1.880
95 HH TYR 10 HH TYR 10 254.181 -6.910 1.353
96 H CYS 11 H CYS 11 253.110 1.770 -1.287
97 HA CYS 11 HA CYS 11 255.344 2.430 -3.005
98 HB2 CYS 11 1HB CYS 11 252.727 3.746 -2.355
99 HB3 CYS 11 2HB CYS 11 254.005 4.674 -3.128
100 HA PRO 12 HA PRO 12 257.771 4.152 0.270
101 HB2 PRO 12 1HB PRO 12 258.932 5.845 -1.862
102 HB3 PRO 12 2HB PRO 12 259.731 4.725 -0.755
103 HG2 PRO 12 1HG PRO 12 259.387 4.130 -3.346
104 HG3 PRO 12 2HG PRO 12 259.292 2.889 -2.083
105 HD2 PRO 12 1HD PRO 12 257.101 4.215 -3.611
106 HD3 PRO 12 2HD PRO 12 257.231 2.542 -3.035
107 H SER 13 H SER 13 258.021 6.130 1.441
108 HA SER 13 HA SER 13 255.739 7.690 1.519
109 HB2 SER 13 1HB SER 13 257.334 7.455 3.398
110 HB3 SER 13 2HB SER 13 258.480 8.478 2.535
111 HG SER 13 HG SER 13 255.884 9.218 3.427
112 H LYS 14 H LYS 14 258.851 8.442 -0.028
113 HA LYS 14 HA LYS 14 258.136 11.063 -0.833
114 HB2 LYS 14 1HB LYS 14 260.227 9.184 -1.942
115 HB3 LYS 14 2HB LYS 14 260.086 10.885 -2.365
116 HG2 LYS 14 1HG LYS 14 260.624 9.819 0.399
117 HG3 LYS 14 2HG LYS 14 261.835 10.481 -0.700
118 HD2 LYS 14 1HD LYS 14 260.672 12.630 -0.689
119 HD3 LYS 14 2HD LYS 14 259.448 11.969 0.394
120 HE2 LYS 14 1HE LYS 14 261.213 11.554 2.074
121 HE3 LYS 14 2HE LYS 14 262.381 12.316 0.996
122 HZ1 LYS 14 1HZ LYS 14 261.160 14.371 1.141
123 HZ2 LYS 14 2HZ LYS 14 261.541 13.839 2.700
124 HZ3 LYS 14 3HZ LYS 14 259.971 13.650 2.102
125 H ILE 15 H ILE 15 257.242 8.009 -2.000
126 HA ILE 15 HA ILE 15 256.401 9.111 -4.589
127 HB ILE 15 HB ILE 15 256.251 6.231 -3.682
128 HG12 ILE 15 1HG1 ILE 15 258.596 6.948 -3.683
129 HG13 ILE 15 2HG1 ILE 15 258.286 5.827 -5.003
130 HG21 ILE 15 1HG2 ILE 15 254.755 6.798 -5.517
131 HG22 ILE 15 2HG2 ILE 15 256.054 5.743 -6.074
132 HG23 ILE 15 3HG2 ILE 15 256.108 7.469 -6.429
133 HD11 ILE 15 1HD1 ILE 15 258.161 7.724 -6.552
134 HD12 ILE 15 2HD1 ILE 15 259.718 7.623 -5.730
135 HD13 ILE 15 3HD1 ILE 15 258.527 8.817 -5.218
136 H ARG 16 H ARG 16 254.855 10.393 -3.260
137 HA ARG 16 HA ARG 16 252.813 9.198 -1.764
138 HB2 ARG 16 1HB ARG 16 251.660 11.317 -1.811
139 HB3 ARG 16 2HB ARG 16 253.375 11.593 -1.579
140 HG2 ARG 16 1HG ARG 16 252.030 11.840 -4.253
141 HG3 ARG 16 2HG ARG 16 252.167 13.181 -3.119
142 HD2 ARG 16 1HD ARG 16 254.478 11.627 -4.276
143 HD3 ARG 16 2HD ARG 16 253.928 13.203 -4.840
144 HE ARG 16 HE ARG 16 254.493 13.271 -2.063
145 HH11 ARG 16 1HH1 ARG 16 256.042 13.234 -5.199
146 HH12 ARG 16 2HH1 ARG 16 257.465 14.058 -4.644
147 HH21 ARG 16 1HH2 ARG 16 256.351 14.359 -1.332
148 HH22 ARG 16 2HH2 ARG 16 257.644 14.693 -2.441
149 H ARG 17 H ARG 17 251.893 7.506 -2.753
150 HA ARG 17 HA ARG 17 250.299 8.067 -5.161
151 HB2 ARG 17 1HB ARG 17 252.250 6.458 -5.421
152 HB3 ARG 17 2HB ARG 17 251.411 5.383 -4.316
153 HG2 ARG 17 1HG ARG 17 250.987 4.629 -6.525
154 HG3 ARG 17 2HG ARG 17 249.497 5.347 -5.911
155 HD2 ARG 17 1HD ARG 17 249.899 7.367 -7.171
156 HD3 ARG 17 2HD ARG 17 251.479 6.779 -7.683
157 HE ARG 17 HE ARG 17 249.991 4.877 -8.701
158 HH11 ARG 17 1HH1 ARG 17 249.346 8.323 -8.666
159 HH12 ARG 17 2HH1 ARG 17 248.397 8.280 -10.114
160 HH21 ARG 17 1HH2 ARG 17 248.779 4.822 -10.591
161 HH22 ARG 17 2HH2 ARG 17 248.063 6.274 -11.216
162 H LYS 18 H LYS 18 248.194 8.083 -4.731
163 HA LYS 18 HA LYS 18 247.154 7.436 -2.199
164 HB2 LYS 18 1HB LYS 18 245.850 8.040 -4.841
165 HB3 LYS 18 2HB LYS 18 244.896 7.598 -3.435
166 HG2 LYS 18 1HG LYS 18 244.861 9.931 -3.482
167 HG3 LYS 18 2HG LYS 18 246.046 9.527 -2.241
168 HD2 LYS 18 1HD LYS 18 247.859 9.980 -3.752
169 HD3 LYS 18 2HD LYS 18 246.736 10.210 -5.093
170 HE2 LYS 18 1HE LYS 18 246.894 11.919 -2.613
171 HE3 LYS 18 2HE LYS 18 247.534 12.349 -4.198
172 HZ1 LYS 18 1HZ LYS 18 245.380 13.365 -3.790
173 HZ2 LYS 18 2HZ LYS 18 244.675 11.845 -3.578
174 HZ3 LYS 18 3HZ LYS 18 245.295 12.284 -5.087
175 H ALA 19 H ALA 19 246.030 5.712 -1.442
176 HA ALA 19 HA ALA 19 246.420 3.219 -2.861
177 HB1 ALA 19 1HB ALA 19 245.666 2.159 -0.817
178 HB2 ALA 19 2HB ALA 19 245.190 3.723 -0.155
179 HB3 ALA 19 3HB ALA 19 246.893 3.374 -0.458
180 H ASN 20 H ASN 20 244.948 2.267 -4.078
181 HA ASN 20 HA ASN 20 242.131 3.068 -3.799
182 HB2 ASN 20 1HB ASN 20 243.717 2.166 -6.191
183 HB3 ASN 20 2HB ASN 20 241.962 2.041 -6.169
184 HD21 ASN 20 1HD2 ASN 20 243.828 3.698 -7.784
185 HD22 ASN 20 2HD2 ASN 20 243.270 5.322 -7.577
186 H ALA 21 H ALA 21 243.981 0.892 -2.600
187 HA ALA 21 HA ALA 21 241.941 -1.154 -2.530
188 HB1 ALA 21 1HB ALA 21 243.526 -2.959 -3.087
189 HB2 ALA 21 2HB ALA 21 244.733 -1.747 -3.508
190 HB3 ALA 21 3HB ALA 21 243.244 -1.871 -4.443
191 H SER 22 H SER 22 242.627 -2.896 -0.898
192 HA SER 22 HA SER 22 244.600 -2.068 1.027
193 HB2 SER 22 1HB SER 22 242.944 -1.884 2.902
194 HB3 SER 22 2HB SER 22 242.840 -0.582 1.720
195 HG SER 22 HG SER 22 241.245 -2.802 1.239
196 H CYS 23 H CYS 23 245.405 -3.776 2.049
197 HA CYS 23 HA CYS 23 244.196 -6.370 1.586
198 HB2 CYS 23 1HB CYS 23 246.642 -6.013 1.375
199 HB3 CYS 23 2HB CYS 23 246.712 -5.622 3.089
200 H LYS 24 H LYS 24 242.442 -6.651 2.821
201 HA LYS 24 HA LYS 24 241.823 -5.331 5.162
202 HB2 LYS 24 1HB LYS 24 240.749 -7.738 3.798
203 HB3 LYS 24 2HB LYS 24 240.237 -7.450 5.452
204 HG2 LYS 24 1HG LYS 24 238.633 -6.501 3.928
205 HG3 LYS 24 2HG LYS 24 239.453 -5.209 4.800
206 HD2 LYS 24 1HD LYS 24 239.296 -4.522 2.534
207 HD3 LYS 24 2HD LYS 24 240.976 -4.979 2.809
208 HE2 LYS 24 1HE LYS 24 240.321 -5.885 0.704
209 HE3 LYS 24 2HE LYS 24 240.434 -7.223 1.844
210 HZ1 LYS 24 1HZ LYS 24 237.920 -5.871 1.030
211 HZ2 LYS 24 2HZ LYS 24 238.041 -7.178 2.092
212 HZ3 LYS 24 3HZ LYS 24 238.452 -7.373 0.467
213 H LYS 25 H LYS 25 243.503 -8.424 4.846
214 HA LYS 25 HA LYS 25 243.072 -9.291 7.485
215 HB2 LYS 25 1HB LYS 25 245.224 -10.006 5.505
216 HB3 LYS 25 2HB LYS 25 245.078 -10.771 7.081
217 HG2 LYS 25 1HG LYS 25 242.764 -11.454 6.457
218 HG3 LYS 25 2HG LYS 25 243.080 -10.835 4.835
219 HD2 LYS 25 1HD LYS 25 245.002 -12.378 4.666
220 HD3 LYS 25 2HD LYS 25 244.579 -13.038 6.246
221 HE2 LYS 25 1HE LYS 25 242.862 -13.095 3.766
222 HE3 LYS 25 2HE LYS 25 243.731 -14.461 4.463
223 HZ1 LYS 25 1HZ LYS 25 242.362 -14.215 6.469
224 HZ2 LYS 25 2HZ LYS 25 241.431 -14.540 5.098
225 HZ3 LYS 25 3HZ LYS 25 241.492 -12.971 5.721
226 H CYS 26 H CYS 26 245.579 -7.202 6.136
227 HA CYS 26 HA CYS 26 246.676 -6.968 8.858
228 HB2 CYS 26 1HB CYS 26 248.728 -6.070 7.791
229 HB3 CYS 26 2HB CYS 26 248.362 -7.721 7.306
230 H LYS 27 H LYS 27 244.731 -5.453 6.652
231 HA LYS 27 HA LYS 27 243.682 -3.450 6.625
232 HB2 LYS 27 1HB LYS 27 245.147 -2.997 9.230
233 HB3 LYS 27 2HB LYS 27 243.928 -1.913 8.580
234 HG2 LYS 27 1HG LYS 27 243.431 -4.801 9.275
235 HG3 LYS 27 2HG LYS 27 243.095 -3.442 10.349
236 HD2 LYS 27 1HD LYS 27 241.565 -2.518 8.644
237 HD3 LYS 27 2HD LYS 27 241.866 -3.936 7.638
238 HE2 LYS 27 1HE LYS 27 240.968 -5.374 9.408
239 HE3 LYS 27 2HE LYS 27 240.657 -3.952 10.402
240 HZ1 LYS 27 1HZ LYS 27 239.105 -3.162 8.746
241 HZ2 LYS 27 2HZ LYS 27 238.671 -4.716 9.245
242 HZ3 LYS 27 3HZ LYS 27 239.430 -4.490 7.753
243 H LYS 28 H LYS 28 246.560 -3.926 5.679
244 HA LYS 28 HA LYS 28 247.554 -1.196 5.638
245 HB2 LYS 28 1HB LYS 28 248.678 -3.786 4.584
246 HB3 LYS 28 2HB LYS 28 249.406 -2.227 4.225
247 HG2 LYS 28 1HG LYS 28 249.671 -1.839 6.657
248 HG3 LYS 28 2HG LYS 28 249.062 -3.472 6.943
249 HD2 LYS 28 1HD LYS 28 250.908 -4.430 5.741
250 HD3 LYS 28 2HD LYS 28 251.469 -2.835 5.244
251 HE2 LYS 28 1HE LYS 28 252.849 -3.592 7.051
252 HE3 LYS 28 2HE LYS 28 251.832 -2.280 7.641
253 HZ1 LYS 28 1HZ LYS 28 250.359 -3.925 8.629
254 HZ2 LYS 28 2HZ LYS 28 251.929 -4.090 9.223
255 HZ3 LYS 28 3HZ LYS 28 251.345 -5.179 8.070
256 H VAL 29 H VAL 29 247.159 0.184 4.092
257 HA VAL 29 HA VAL 29 245.521 -0.595 1.856
258 HB VAL 29 HB VAL 29 245.473 1.801 1.311
259 HG11 VAL 29 1HG1 VAL 29 243.858 0.924 2.897
260 HG12 VAL 29 2HG1 VAL 29 244.320 2.566 3.339
261 HG13 VAL 29 3HG1 VAL 29 244.987 1.193 4.223
262 HG21 VAL 29 1HG2 VAL 29 247.305 2.124 3.686
263 HG22 VAL 29 2HG2 VAL 29 246.562 3.432 2.762
264 HG23 VAL 29 3HG2 VAL 29 247.750 2.375 1.998
265 H ILE 30 H ILE 30 246.055 -0.392 -0.325
266 HA ILE 30 HA ILE 30 248.873 0.025 -0.991
267 HB ILE 30 HB ILE 30 248.850 -2.077 -2.380
268 HG12 ILE 30 1HG1 ILE 30 246.459 -2.727 -0.642
269 HG13 ILE 30 2HG1 ILE 30 246.406 -2.408 -2.371
270 HG21 ILE 30 1HG2 ILE 30 248.662 -2.414 0.611
271 HG22 ILE 30 2HG2 ILE 30 250.097 -1.943 -0.299
272 HG23 ILE 30 3HG2 ILE 30 249.411 -3.554 -0.509
273 HD11 ILE 30 1HD1 ILE 30 246.289 -4.784 -1.879
274 HD12 ILE 30 2HD1 ILE 30 247.844 -4.694 -1.053
275 HD13 ILE 30 3HD1 ILE 30 247.746 -4.384 -2.786
276 H CYS 31 H CYS 31 249.192 -0.039 -3.389
277 HA CYS 31 HA CYS 31 246.893 1.179 -4.728
278 HB2 CYS 31 1HB CYS 31 248.449 2.099 -6.309
279 HB3 CYS 31 2HB CYS 31 249.139 2.360 -4.713
280 H ARG 32 H ARG 32 246.178 0.399 -6.721
281 HA ARG 32 HA ARG 32 246.234 -2.428 -6.961
282 HB2 ARG 32 1HB ARG 32 245.122 -0.334 -8.831
283 HB3 ARG 32 2HB ARG 32 244.814 -2.061 -8.949
284 HG2 ARG 32 1HG ARG 32 243.702 -2.042 -6.799
285 HG3 ARG 32 2HG ARG 32 244.070 -0.327 -6.602
286 HD2 ARG 32 1HD ARG 32 242.323 -1.555 -8.733
287 HD3 ARG 32 2HD ARG 32 241.776 -0.629 -7.336
288 HE ARG 32 HE ARG 32 243.612 0.745 -9.111
289 HH11 ARG 32 1HH1 ARG 32 240.272 0.120 -8.274
290 HH12 ARG 32 2HH1 ARG 32 239.680 1.556 -9.047
291 HH21 ARG 32 1HH2 ARG 32 242.835 2.629 -10.140
292 HH22 ARG 32 2HH2 ARG 32 241.134 2.979 -10.117
293 H GLU 33 H GLU 33 248.401 -0.124 -7.940
294 HA GLU 33 HA GLU 33 249.331 -1.498 -10.306
295 HB2 GLU 33 1HB GLU 33 250.594 0.738 -8.709
296 HB3 GLU 33 2HB GLU 33 251.155 0.152 -10.268
297 HG2 GLU 33 1HG GLU 33 249.055 0.859 -11.292
298 HG3 GLU 33 2HG GLU 33 248.493 1.449 -9.728
299 H HIS 34 H HIS 34 249.882 -1.483 -6.889
300 HA HIS 34 HA HIS 34 252.326 -3.049 -7.135
301 HB2 HIS 34 1HB HIS 34 250.996 -1.564 -4.957
302 HB3 HIS 34 2HB HIS 34 251.756 -3.074 -4.460
303 HD2 HIS 34 HD2 HIS 34 254.367 -2.855 -6.442
304 HE1 HIS 34 HE1 HIS 34 255.127 0.643 -4.199
305 HE2 HIS 34 HE2 HIS 34 256.081 -1.000 -5.872
306 H ASN 35 H ASN 35 248.962 -3.420 -6.187
307 HA ASN 35 HA ASN 35 248.900 -6.076 -7.148
308 HB2 ASN 35 1HB ASN 35 250.011 -6.507 -4.946
309 HB3 ASN 35 2HB ASN 35 248.597 -5.833 -4.147
310 HD21 ASN 35 1HD2 ASN 35 249.877 -8.546 -5.890
311 HD22 ASN 35 2HD2 ASN 35 248.546 -9.611 -5.605
312 H ILE 36 H ILE 36 246.685 -7.010 -6.924
313 HA ILE 36 HA ILE 36 244.794 -5.051 -7.559
314 HB ILE 36 HB ILE 36 244.561 -7.263 -8.445
315 HG12 ILE 36 1HG1 ILE 36 242.171 -7.717 -7.919
316 HG13 ILE 36 2HG1 ILE 36 242.277 -6.570 -6.589
317 HG21 ILE 36 1HG2 ILE 36 243.932 -9.193 -7.101
318 HG22 ILE 36 2HG2 ILE 36 244.049 -8.221 -5.636
319 HG23 ILE 36 3HG2 ILE 36 245.491 -8.546 -6.598
320 HD11 ILE 36 1HD1 ILE 36 242.679 -5.933 -9.503
321 HD12 ILE 36 2HD1 ILE 36 242.774 -4.782 -8.169
322 HD13 ILE 36 3HD1 ILE 36 241.243 -5.572 -8.546
323 H ASP 37 H ASP 37 245.027 -7.026 -4.571
324 HA ASP 37 HA ASP 37 244.121 -4.924 -2.901
325 HB2 ASP 37 1HB ASP 37 241.994 -5.564 -4.156
326 HB3 ASP 37 2HB ASP 37 242.067 -7.103 -3.309
327 H MET 38 H MET 38 246.182 -6.911 -3.005
328 HA MET 38 HA MET 38 245.820 -8.116 -0.366
329 HB2 MET 38 1HB MET 38 246.848 -9.674 -2.757
330 HB3 MET 38 2HB MET 38 246.694 -10.275 -1.115
331 HG2 MET 38 1HG MET 38 244.287 -10.132 -1.249
332 HG3 MET 38 2HG MET 38 244.395 -9.419 -2.857
333 HE1 MET 38 1HE MET 38 242.541 -11.896 -2.315
334 HE2 MET 38 2HE MET 38 242.929 -12.917 -3.700
335 HE3 MET 38 3HE MET 38 242.772 -11.173 -3.906
336 H CYS 39 H CYS 39 247.830 -8.351 0.750
337 HA CYS 39 HA CYS 39 250.029 -6.935 -0.569
338 HB2 CYS 39 1HB CYS 39 250.916 -6.423 1.538
339 HB3 CYS 39 2HB CYS 39 249.181 -6.311 1.795
340 H GLN 40 H GLN 40 252.280 -7.846 0.151
341 HA GLN 40 HA GLN 40 252.261 -10.655 -0.635
342 HB2 GLN 40 1HB GLN 40 253.764 -9.041 -1.780
343 HB3 GLN 40 2HB GLN 40 254.593 -8.768 -0.255
344 HG2 GLN 40 1HG GLN 40 255.279 -11.104 -0.201
345 HG3 GLN 40 2HG GLN 40 254.436 -11.389 -1.721
346 HE21 GLN 40 1HE2 GLN 40 256.221 -8.476 -0.993
347 HE22 GLN 40 2HE2 GLN 40 257.489 -8.739 -2.139
348 H SER 41 H SER 41 252.671 -8.672 2.119
349 HA SER 41 HA SER 41 254.304 -10.463 3.632
350 HB2 SER 41 1HB SER 41 252.612 -8.147 4.585
351 HB3 SER 41 2HB SER 41 253.948 -8.899 5.454
352 HG SER 41 HG SER 41 255.307 -8.227 3.688
353 H CYS 42 H CYS 42 250.906 -10.111 3.068
354 HA CYS 42 HA CYS 42 250.352 -12.533 4.508
355 HB2 CYS 42 1HB CYS 42 249.235 -11.750 6.317
356 HB3 CYS 42 2HB CYS 42 250.199 -10.309 6.057
357 H PHE 43 H PHE 43 247.827 -12.882 4.424
358 HA PHE 43 HA PHE 43 245.948 -13.162 3.183
359 HB2 PHE 43 1HB PHE 43 246.273 -10.556 2.881
360 HB3 PHE 43 2HB PHE 43 246.712 -11.011 1.242
361 HD1 PHE 43 HD1 PHE 43 244.923 -12.918 0.309
362 HD2 PHE 43 HD2 PHE 43 244.148 -9.799 3.098
363 HE1 PHE 43 HE1 PHE 43 242.540 -12.972 -0.297
364 HE2 PHE 43 HE2 PHE 43 241.765 -9.850 2.500
365 HZ PHE 43 HZ PHE 43 240.957 -11.437 0.800
Start of MODEL 12
1 H1 VAL 1 1H VAL 1 247.358 4.765 13.296
2 H2 VAL 1 2H VAL 1 248.135 4.160 14.667
3 H3 VAL 1 3H VAL 1 248.947 5.230 13.642
4 HA VAL 1 HA VAL 1 246.576 5.845 15.306
5 HB VAL 1 HB VAL 1 249.395 6.925 15.513
6 HG11 VAL 1 1HG1 VAL 1 247.010 7.269 17.324
7 HG12 VAL 1 2HG1 VAL 1 247.684 8.496 16.251
8 HG13 VAL 1 3HG1 VAL 1 248.629 7.901 17.616
9 HG21 VAL 1 1HG2 VAL 1 247.994 4.901 17.255
10 HG22 VAL 1 2HG2 VAL 1 249.570 5.620 17.582
11 HG23 VAL 1 3HG2 VAL 1 249.350 4.583 16.173
12 H MET 2 H MET 2 248.940 6.965 12.914
13 HA MET 2 HA MET 2 247.614 9.484 12.551
14 HB2 MET 2 1HB MET 2 249.988 9.376 12.140
15 HB3 MET 2 2HB MET 2 249.772 8.083 10.970
16 HG2 MET 2 1HG MET 2 250.227 10.310 9.973
17 HG3 MET 2 2HG MET 2 248.739 9.551 9.413
18 HE1 MET 2 1HE MET 2 250.280 12.331 11.746
19 HE2 MET 2 2HE MET 2 249.350 11.342 12.870
20 HE3 MET 2 3HE MET 2 248.829 12.987 12.503
21 H LYS 3 H LYS 3 245.937 9.909 11.272
22 HA LYS 3 HA LYS 3 244.978 7.792 9.492
23 HB2 LYS 3 1HB LYS 3 243.656 10.180 10.739
24 HB3 LYS 3 2HB LYS 3 242.957 9.433 9.315
25 HG2 LYS 3 1HG LYS 3 241.860 8.534 11.218
26 HG3 LYS 3 2HG LYS 3 242.902 7.274 10.562
27 HD2 LYS 3 1HD LYS 3 244.583 7.786 12.268
28 HD3 LYS 3 2HD LYS 3 243.530 9.041 12.925
29 HE2 LYS 3 1HE LYS 3 242.916 6.090 12.788
30 HE3 LYS 3 2HE LYS 3 243.372 6.988 14.234
31 HZ1 LYS 3 1HZ LYS 3 241.019 6.723 14.211
32 HZ2 LYS 3 2HZ LYS 3 240.892 7.323 12.635
33 HZ3 LYS 3 3HZ LYS 3 241.350 8.352 13.898
34 H LYS 4 H LYS 4 246.899 8.395 8.157
35 HA LYS 4 HA LYS 4 246.028 10.369 6.170
36 HB2 LYS 4 1HB LYS 4 247.969 11.169 7.586
37 HB3 LYS 4 2HB LYS 4 248.912 9.851 6.911
38 HG2 LYS 4 1HG LYS 4 249.391 11.932 5.769
39 HG3 LYS 4 2HG LYS 4 248.622 10.780 4.674
40 HD2 LYS 4 1HD LYS 4 246.483 11.907 4.966
41 HD3 LYS 4 2HD LYS 4 247.217 13.034 6.107
42 HE2 LYS 4 1HE LYS 4 248.679 13.874 4.349
43 HE3 LYS 4 2HE LYS 4 247.989 12.719 3.210
44 HZ1 LYS 4 1HZ LYS 4 246.503 14.899 4.565
45 HZ2 LYS 4 2HZ LYS 4 245.851 13.798 3.457
46 HZ3 LYS 4 3HZ LYS 4 247.019 14.910 2.955
47 H ARG 5 H ARG 5 245.585 7.543 6.380
48 HA ARG 5 HA ARG 5 247.431 6.208 4.612
49 HB2 ARG 5 1HB ARG 5 244.820 5.310 5.833
50 HB3 ARG 5 2HB ARG 5 245.849 4.287 4.845
51 HG2 ARG 5 1HG ARG 5 246.677 5.555 7.445
52 HG3 ARG 5 2HG ARG 5 246.109 3.896 7.261
53 HD2 ARG 5 1HD ARG 5 247.991 3.505 5.671
54 HD3 ARG 5 2HD ARG 5 248.589 5.118 6.055
55 HE ARG 5 HE ARG 5 248.249 3.722 8.450
56 HH11 ARG 5 1HH1 ARG 5 250.284 3.639 5.602
57 HH12 ARG 5 2HH1 ARG 5 251.622 2.896 6.424
58 HH21 ARG 5 1HH2 ARG 5 250.007 2.742 9.533
59 HH22 ARG 5 2HH2 ARG 5 251.461 2.383 8.654
60 H THR 6 H THR 6 246.615 8.277 3.212
61 HA THR 6 HA THR 6 244.525 7.352 1.380
62 HB THR 6 HB THR 6 246.102 9.913 1.151
63 HG1 THR 6 HG1 THR 6 244.101 9.215 2.959
64 HG21 THR 6 1HG2 THR 6 244.798 9.283 -0.803
65 HG22 THR 6 2HG2 THR 6 244.073 10.685 -0.016
66 HG23 THR 6 3HG2 THR 6 243.358 9.088 0.196
67 H TYR 7 H TYR 7 247.901 7.537 1.782
68 HA TYR 7 HA TYR 7 248.408 7.152 -1.075
69 HB2 TYR 7 1HB TYR 7 250.270 7.926 1.180
70 HB3 TYR 7 2HB TYR 7 250.769 7.684 -0.493
71 HD1 TYR 7 HD1 TYR 7 249.286 9.972 1.874
72 HD2 TYR 7 HD2 TYR 7 249.858 9.194 -2.265
73 HE1 TYR 7 HE1 TYR 7 248.730 12.310 1.363
74 HE2 TYR 7 HE2 TYR 7 249.312 11.527 -2.788
75 HH TYR 7 HH TYR 7 248.089 13.405 -1.797
76 H CYS 8 H CYS 8 249.510 5.424 -1.828
77 HA CYS 8 HA CYS 8 249.016 2.963 -0.643
78 HB2 CYS 8 1HB CYS 8 249.324 3.158 -3.008
79 HB3 CYS 8 2HB CYS 8 250.959 3.764 -2.803
80 H THR 9 H THR 9 249.925 1.870 0.905
81 HA THR 9 HA THR 9 252.145 2.802 2.378
82 HB THR 9 HB THR 9 250.836 0.075 2.430
83 HG1 THR 9 HG1 THR 9 250.020 2.569 3.270
84 HG21 THR 9 1HG2 THR 9 252.976 0.119 3.615
85 HG22 THR 9 2HG2 THR 9 251.629 -0.025 4.745
86 HG23 THR 9 3HG2 THR 9 252.443 1.526 4.535
87 H TYR 10 H TYR 10 251.821 0.506 -0.234
88 HA TYR 10 HA TYR 10 254.430 -0.648 0.168
89 HB2 TYR 10 1HB TYR 10 252.239 -1.025 -1.825
90 HB3 TYR 10 2HB TYR 10 253.855 -1.615 -2.202
91 HD1 TYR 10 HD1 TYR 10 254.214 -3.823 -1.744
92 HD2 TYR 10 HD2 TYR 10 251.549 -1.643 0.745
93 HE1 TYR 10 HE1 TYR 10 253.827 -5.840 -0.401
94 HE2 TYR 10 HE2 TYR 10 251.146 -3.651 2.093
95 HH TYR 10 HH TYR 10 253.098 -6.381 1.928
96 H CYS 11 H CYS 11 253.106 2.002 -1.576
97 HA CYS 11 HA CYS 11 255.380 2.301 -3.326
98 HB2 CYS 11 1HB CYS 11 252.928 3.923 -2.748
99 HB3 CYS 11 2HB CYS 11 254.284 4.673 -3.576
100 HA PRO 12 HA PRO 12 258.129 4.160 -0.365
101 HB2 PRO 12 1HB PRO 12 259.025 5.697 -2.749
102 HB3 PRO 12 2HB PRO 12 259.973 4.741 -1.609
103 HG2 PRO 12 1HG PRO 12 259.422 3.844 -4.073
104 HG3 PRO 12 2HG PRO 12 259.509 2.753 -2.679
105 HD2 PRO 12 1HD PRO 12 257.134 3.751 -4.160
106 HD3 PRO 12 2HD PRO 12 257.381 2.208 -3.321
107 H SER 13 H SER 13 258.246 6.069 0.771
108 HA SER 13 HA SER 13 256.006 7.779 0.588
109 HB2 SER 13 1HB SER 13 258.555 8.123 2.183
110 HB3 SER 13 2HB SER 13 257.053 9.011 2.443
111 HG SER 13 HG SER 13 257.341 6.183 2.619
112 H LYS 14 H LYS 14 258.961 7.830 -1.052
113 HA LYS 14 HA LYS 14 259.068 10.657 -1.548
114 HB2 LYS 14 1HB LYS 14 260.378 8.371 -3.028
115 HB3 LYS 14 2HB LYS 14 260.769 10.073 -3.217
116 HG2 LYS 14 1HG LYS 14 261.552 10.174 -0.927
117 HG3 LYS 14 2HG LYS 14 261.104 8.483 -0.685
118 HD2 LYS 14 1HD LYS 14 262.682 7.837 -2.459
119 HD3 LYS 14 2HD LYS 14 263.155 9.527 -2.633
120 HE2 LYS 14 1HE LYS 14 264.759 8.303 -1.261
121 HE3 LYS 14 2HE LYS 14 263.943 9.551 -0.323
122 HZ1 LYS 14 1HZ LYS 14 263.128 6.700 -0.326
123 HZ2 LYS 14 2HZ LYS 14 262.573 7.924 0.703
124 HZ3 LYS 14 3HZ LYS 14 264.168 7.378 0.821
125 H ILE 15 H ILE 15 257.247 8.043 -2.756
126 HA ILE 15 HA ILE 15 256.883 9.148 -5.408
127 HB ILE 15 HB ILE 15 255.460 6.815 -4.123
128 HG12 ILE 15 1HG1 ILE 15 257.843 6.374 -4.186
129 HG13 ILE 15 2HG1 ILE 15 257.046 5.418 -5.429
130 HG21 ILE 15 1HG2 ILE 15 254.272 7.745 -6.038
131 HG22 ILE 15 2HG2 ILE 15 254.933 6.153 -6.411
132 HG23 ILE 15 3HG2 ILE 15 255.731 7.604 -7.017
133 HD11 ILE 15 1HD1 ILE 15 257.748 7.059 -7.110
134 HD12 ILE 15 2HD1 ILE 15 259.114 6.337 -6.260
135 HD13 ILE 15 3HD1 ILE 15 258.584 7.968 -5.852
136 H ARG 16 H ARG 16 254.829 8.542 -2.562
137 HA ARG 16 HA ARG 16 252.852 9.434 -1.879
138 HB2 ARG 16 1HB ARG 16 254.008 11.807 -3.333
139 HB3 ARG 16 2HB ARG 16 252.522 11.885 -2.398
140 HG2 ARG 16 1HG ARG 16 253.728 11.269 -0.387
141 HG3 ARG 16 2HG ARG 16 255.224 11.118 -1.315
142 HD2 ARG 16 1HD ARG 16 253.600 13.642 -1.032
143 HD3 ARG 16 2HD ARG 16 255.053 13.271 -0.111
144 HE ARG 16 HE ARG 16 255.789 13.035 -2.743
145 HH11 ARG 16 1HH1 ARG 16 254.418 15.579 -0.762
146 HH12 ARG 16 2HH1 ARG 16 255.162 16.855 -1.670
147 HH21 ARG 16 1HH2 ARG 16 256.774 14.708 -3.925
148 HH22 ARG 16 2HH2 ARG 16 256.514 16.358 -3.459
149 H ARG 17 H ARG 17 252.065 7.794 -3.603
150 HA ARG 17 HA ARG 17 250.231 9.297 -5.340
151 HB2 ARG 17 1HB ARG 17 250.101 7.339 -6.823
152 HB3 ARG 17 2HB ARG 17 251.732 7.981 -6.732
153 HG2 ARG 17 1HG ARG 17 252.419 6.188 -5.295
154 HG3 ARG 17 2HG ARG 17 250.759 5.595 -5.179
155 HD2 ARG 17 1HD ARG 17 252.111 4.281 -6.767
156 HD3 ARG 17 2HD ARG 17 250.743 5.073 -7.543
157 HE ARG 17 HE ARG 17 252.773 6.832 -7.921
158 HH11 ARG 17 1HH1 ARG 17 252.402 3.412 -8.562
159 HH12 ARG 17 2HH1 ARG 17 253.456 3.424 -9.939
160 HH21 ARG 17 1HH2 ARG 17 254.173 6.852 -9.725
161 HH22 ARG 17 2HH2 ARG 17 254.469 5.382 -10.598
162 H LYS 18 H LYS 18 248.078 8.649 -5.370
163 HA LYS 18 HA LYS 18 247.249 7.828 -2.756
164 HB2 LYS 18 1HB LYS 18 245.731 8.741 -5.190
165 HB3 LYS 18 2HB LYS 18 244.913 8.188 -3.737
166 HG2 LYS 18 1HG LYS 18 244.963 10.517 -3.550
167 HG3 LYS 18 2HG LYS 18 246.259 9.956 -2.494
168 HD2 LYS 18 1HD LYS 18 247.110 11.811 -3.704
169 HD3 LYS 18 2HD LYS 18 247.846 10.368 -4.401
170 HE2 LYS 18 1HE LYS 18 246.139 10.417 -6.193
171 HE3 LYS 18 2HE LYS 18 245.514 11.919 -5.516
172 HZ1 LYS 18 1HZ LYS 18 246.984 12.410 -7.320
173 HZ2 LYS 18 2HZ LYS 18 248.220 11.480 -6.644
174 HZ3 LYS 18 3HZ LYS 18 247.727 12.904 -5.882
175 H ALA 19 H ALA 19 246.094 6.079 -2.146
176 HA ALA 19 HA ALA 19 246.397 3.736 -3.837
177 HB1 ALA 19 1HB ALA 19 247.069 3.664 -1.474
178 HB2 ALA 19 2HB ALA 19 245.818 2.478 -1.845
179 HB3 ALA 19 3HB ALA 19 245.398 3.969 -1.003
180 H ASN 20 H ASN 20 244.768 2.696 -4.850
181 HA ASN 20 HA ASN 20 242.019 3.611 -4.315
182 HB2 ASN 20 1HB ASN 20 242.912 4.060 -6.622
183 HB3 ASN 20 2HB ASN 20 243.046 2.320 -6.853
184 HD21 ASN 20 1HD2 ASN 20 241.601 2.372 -8.577
185 HD22 ASN 20 2HD2 ASN 20 239.903 2.583 -8.344
186 H ALA 21 H ALA 21 243.688 1.536 -3.011
187 HA ALA 21 HA ALA 21 241.595 -0.428 -2.808
188 HB1 ALA 21 1HB ALA 21 242.863 -1.410 -4.622
189 HB2 ALA 21 2HB ALA 21 243.122 -2.354 -3.155
190 HB3 ALA 21 3HB ALA 21 244.361 -1.230 -3.714
191 H SER 22 H SER 22 241.968 -1.851 -0.943
192 HA SER 22 HA SER 22 244.084 -1.023 0.865
193 HB2 SER 22 1HB SER 22 242.428 -0.703 2.727
194 HB3 SER 22 2HB SER 22 242.337 0.524 1.465
195 HG SER 22 HG SER 22 240.727 -1.627 0.967
196 H CYS 23 H CYS 23 244.870 -2.694 1.969
197 HA CYS 23 HA CYS 23 243.646 -5.291 1.679
198 HB2 CYS 23 1HB CYS 23 246.111 -4.963 1.595
199 HB3 CYS 23 2HB CYS 23 246.076 -4.461 3.281
200 H LYS 24 H LYS 24 241.732 -5.195 2.800
201 HA LYS 24 HA LYS 24 241.255 -4.010 5.272
202 HB2 LYS 24 1HB LYS 24 239.453 -4.680 3.810
203 HB3 LYS 24 2HB LYS 24 239.921 -6.368 3.935
204 HG2 LYS 24 1HG LYS 24 237.976 -5.998 5.275
205 HG3 LYS 24 2HG LYS 24 239.348 -6.306 6.338
206 HD2 LYS 24 1HD LYS 24 239.575 -3.912 6.754
207 HD3 LYS 24 2HD LYS 24 238.222 -3.588 5.666
208 HE2 LYS 24 1HE LYS 24 236.745 -4.885 7.121
209 HE3 LYS 24 2HE LYS 24 238.095 -5.216 8.203
210 HZ1 LYS 24 1HZ LYS 24 236.956 -2.543 7.604
211 HZ2 LYS 24 2HZ LYS 24 238.280 -2.833 8.614
212 HZ3 LYS 24 3HZ LYS 24 236.751 -3.415 9.038
213 H LYS 25 H LYS 25 242.666 -7.080 4.475
214 HA LYS 25 HA LYS 25 242.395 -8.500 6.826
215 HB2 LYS 25 1HB LYS 25 243.377 -9.363 4.720
216 HB3 LYS 25 2HB LYS 25 244.824 -8.416 5.029
217 HG2 LYS 25 1HG LYS 25 245.287 -10.645 5.671
218 HG3 LYS 25 2HG LYS 25 245.111 -9.707 7.153
219 HD2 LYS 25 1HD LYS 25 242.853 -10.545 7.446
220 HD3 LYS 25 2HD LYS 25 242.956 -11.420 5.916
221 HE2 LYS 25 1HE LYS 25 244.845 -12.727 6.845
222 HE3 LYS 25 2HE LYS 25 244.612 -11.908 8.388
223 HZ1 LYS 25 1HZ LYS 25 242.577 -13.580 7.022
224 HZ2 LYS 25 2HZ LYS 25 242.409 -12.841 8.531
225 HZ3 LYS 25 3HZ LYS 25 243.537 -14.082 8.321
226 H CYS 26 H CYS 26 244.756 -5.955 6.054
227 HA CYS 26 HA CYS 26 245.554 -6.010 8.890
228 HB2 CYS 26 1HB CYS 26 247.839 -5.418 8.233
229 HB3 CYS 26 2HB CYS 26 247.346 -6.948 7.512
230 H LYS 27 H LYS 27 243.991 -4.260 6.638
231 HA LYS 27 HA LYS 27 243.184 -2.149 6.582
232 HB2 LYS 27 1HB LYS 27 244.519 -1.925 9.278
233 HB3 LYS 27 2HB LYS 27 243.458 -0.702 8.593
234 HG2 LYS 27 1HG LYS 27 241.612 -2.289 8.572
235 HG3 LYS 27 2HG LYS 27 242.673 -3.543 9.215
236 HD2 LYS 27 1HD LYS 27 242.048 -0.942 10.606
237 HD3 LYS 27 2HD LYS 27 241.242 -2.475 10.937
238 HE2 LYS 27 1HE LYS 27 244.200 -1.957 11.236
239 HE3 LYS 27 2HE LYS 27 243.034 -1.977 12.555
240 HZ1 LYS 27 1HZ LYS 27 244.266 -4.076 12.307
241 HZ2 LYS 27 2HZ LYS 27 243.584 -4.289 10.777
242 HZ3 LYS 27 3HZ LYS 27 242.596 -4.282 12.147
243 H LYS 28 H LYS 28 245.689 -2.707 5.318
244 HA LYS 28 HA LYS 28 246.917 -0.032 5.469
245 HB2 LYS 28 1HB LYS 28 248.200 -2.615 4.544
246 HB3 LYS 28 2HB LYS 28 248.974 -1.036 4.557
247 HG2 LYS 28 1HG LYS 28 247.955 -2.460 7.008
248 HG3 LYS 28 2HG LYS 28 249.631 -2.473 6.455
249 HD2 LYS 28 1HD LYS 28 249.860 -0.137 6.828
250 HD3 LYS 28 2HD LYS 28 248.126 0.063 7.068
251 HE2 LYS 28 1HE LYS 28 249.919 -1.564 8.860
252 HE3 LYS 28 2HE LYS 28 249.445 0.104 9.173
253 HZ1 LYS 28 1HZ LYS 28 248.049 -1.483 10.365
254 HZ2 LYS 28 2HZ LYS 28 247.567 -2.185 8.907
255 HZ3 LYS 28 3HZ LYS 28 247.146 -0.586 9.256
256 H VAL 29 H VAL 29 247.086 1.150 3.627
257 HA VAL 29 HA VAL 29 245.314 0.271 1.504
258 HB VAL 29 HB VAL 29 245.399 2.602 0.716
259 HG11 VAL 29 1HG1 VAL 29 244.802 2.284 3.655
260 HG12 VAL 29 2HG1 VAL 29 243.702 1.945 2.320
261 HG13 VAL 29 3HG1 VAL 29 244.226 3.600 2.631
262 HG21 VAL 29 1HG2 VAL 29 247.669 3.164 1.406
263 HG22 VAL 29 2HG2 VAL 29 247.190 3.062 3.100
264 HG23 VAL 29 3HG2 VAL 29 246.508 4.317 2.064
265 H ILE 30 H ILE 30 245.835 0.149 -0.650
266 HA ILE 30 HA ILE 30 248.671 0.358 -1.362
267 HB ILE 30 HB ILE 30 248.512 -1.856 -2.544
268 HG12 ILE 30 1HG1 ILE 30 245.997 -2.081 -0.874
269 HG13 ILE 30 2HG1 ILE 30 246.110 -2.142 -2.627
270 HG21 ILE 30 1HG2 ILE 30 248.951 -3.182 -0.533
271 HG22 ILE 30 2HG2 ILE 30 248.254 -1.900 0.460
272 HG23 ILE 30 3HG2 ILE 30 249.731 -1.601 -0.456
273 HD11 ILE 30 1HD1 ILE 30 247.418 -4.233 -2.412
274 HD12 ILE 30 2HD1 ILE 30 245.774 -4.353 -1.785
275 HD13 ILE 30 3HD1 ILE 30 247.134 -4.184 -0.673
276 H CYS 31 H CYS 31 249.060 0.626 -3.583
277 HA CYS 31 HA CYS 31 246.862 1.786 -5.045
278 HB2 CYS 31 1HB CYS 31 248.502 2.428 -6.698
279 HB3 CYS 31 2HB CYS 31 249.183 2.753 -5.109
280 H ARG 32 H ARG 32 246.514 1.081 -7.402
281 HA ARG 32 HA ARG 32 245.615 -1.568 -7.298
282 HB2 ARG 32 1HB ARG 32 246.052 0.119 -9.761
283 HB3 ARG 32 2HB ARG 32 245.083 -1.343 -9.678
284 HG2 ARG 32 1HG ARG 32 244.537 1.291 -8.339
285 HG3 ARG 32 2HG ARG 32 243.614 0.525 -9.631
286 HD2 ARG 32 1HD ARG 32 243.898 -0.455 -6.789
287 HD3 ARG 32 2HD ARG 32 242.463 0.265 -7.513
288 HE ARG 32 HE ARG 32 243.399 -2.117 -8.850
289 HH11 ARG 32 1HH1 ARG 32 241.357 -0.832 -6.309
290 HH12 ARG 32 2HH1 ARG 32 240.328 -2.226 -6.260
291 HH21 ARG 32 1HH2 ARG 32 242.048 -3.958 -8.778
292 HH22 ARG 32 2HH2 ARG 32 240.720 -4.002 -7.663
293 H GLU 33 H GLU 33 248.565 -0.198 -8.614
294 HA GLU 33 HA GLU 33 249.429 -2.550 -9.962
295 HB2 GLU 33 1HB GLU 33 250.235 -0.199 -10.398
296 HB3 GLU 33 2HB GLU 33 251.162 -0.312 -8.910
297 HG2 GLU 33 1HG GLU 33 252.570 -0.750 -10.819
298 HG3 GLU 33 2HG GLU 33 252.407 -2.203 -9.835
299 H HIS 34 H HIS 34 249.478 -1.533 -6.665
300 HA HIS 34 HA HIS 34 251.312 -3.735 -5.987
301 HB2 HIS 34 1HB HIS 34 250.565 -1.213 -4.530
302 HB3 HIS 34 2HB HIS 34 251.207 -2.595 -3.651
303 HD2 HIS 34 HD2 HIS 34 253.476 -3.303 -6.042
304 HE1 HIS 34 HE1 HIS 34 254.987 0.444 -4.780
305 HE2 HIS 34 HE2 HIS 34 255.483 -1.659 -6.116
306 H ASN 35 H ASN 35 248.344 -3.651 -6.673
307 HA ASN 35 HA ASN 35 247.341 -4.917 -4.219
308 HB2 ASN 35 1HB ASN 35 246.064 -2.934 -4.664
309 HB3 ASN 35 2HB ASN 35 245.855 -3.385 -6.350
310 HD21 ASN 35 1HD2 ASN 35 244.240 -4.795 -6.915
311 HD22 ASN 35 2HD2 ASN 35 243.063 -5.380 -5.790
312 H ILE 36 H ILE 36 247.229 -7.001 -4.344
313 HA ILE 36 HA ILE 36 246.275 -8.244 -6.837
314 HB ILE 36 HB ILE 36 247.116 -10.388 -5.869
315 HG12 ILE 36 1HG1 ILE 36 248.335 -8.570 -3.776
316 HG13 ILE 36 2HG1 ILE 36 247.075 -9.765 -3.499
317 HG21 ILE 36 1HG2 ILE 36 248.462 -9.184 -7.480
318 HG22 ILE 36 2HG2 ILE 36 249.500 -9.936 -6.269
319 HG23 ILE 36 3HG2 ILE 36 249.168 -8.206 -6.194
320 HD11 ILE 36 1HD1 ILE 36 248.630 -11.547 -4.069
321 HD12 ILE 36 2HD1 ILE 36 249.243 -10.556 -2.745
322 HD13 ILE 36 3HD1 ILE 36 249.892 -10.353 -4.374
323 H ASP 37 H ASP 37 244.545 -6.837 -5.247
324 HA ASP 37 HA ASP 37 242.711 -6.833 -3.911
325 HB2 ASP 37 1HB ASP 37 242.628 -9.754 -4.708
326 HB3 ASP 37 2HB ASP 37 241.336 -8.926 -3.843
327 H MET 38 H MET 38 245.206 -7.118 -2.749
328 HA MET 38 HA MET 38 244.846 -7.797 -0.105
329 HB2 MET 38 1HB MET 38 244.484 -10.118 -0.934
330 HB3 MET 38 2HB MET 38 246.053 -10.074 -1.719
331 HG2 MET 38 1HG MET 38 246.163 -11.338 0.332
332 HG3 MET 38 2HG MET 38 247.139 -9.877 0.458
333 HE1 MET 38 1HE MET 38 243.192 -10.204 0.750
334 HE2 MET 38 2HE MET 38 243.037 -10.468 2.487
335 HE3 MET 38 3HE MET 38 243.837 -11.673 1.479
336 H CYS 39 H CYS 39 246.853 -7.452 1.054
337 HA CYS 39 HA CYS 39 248.948 -6.341 -0.634
338 HB2 CYS 39 1HB CYS 39 249.778 -5.247 1.218
339 HB3 CYS 39 2HB CYS 39 248.090 -5.395 1.688
340 H GLN 40 H GLN 40 251.140 -6.997 -0.400
341 HA GLN 40 HA GLN 40 251.371 -9.730 -0.959
342 HB2 GLN 40 1HB GLN 40 252.750 -7.873 -1.895
343 HB3 GLN 40 2HB GLN 40 253.577 -7.766 -0.351
344 HG2 GLN 40 1HG GLN 40 254.499 -9.947 -0.618
345 HG3 GLN 40 2HG GLN 40 253.533 -10.228 -2.066
346 HE21 GLN 40 1HE2 GLN 40 254.082 -9.185 -3.983
347 HE22 GLN 40 2HE2 GLN 40 255.640 -8.472 -4.218
348 H SER 41 H SER 41 251.537 -8.073 2.037
349 HA SER 41 HA SER 41 253.206 -10.060 3.318
350 HB2 SER 41 1HB SER 41 253.384 -7.727 4.020
351 HB3 SER 41 2HB SER 41 251.683 -7.719 4.476
352 HG SER 41 HG SER 41 252.750 -9.758 5.732
353 H CYS 42 H CYS 42 249.845 -9.651 2.706
354 HA CYS 42 HA CYS 42 249.189 -11.528 4.868
355 HB2 CYS 42 1HB CYS 42 247.385 -9.816 3.156
356 HB3 CYS 42 2HB CYS 42 246.807 -10.986 4.334
357 H PHE 43 H PHE 43 249.646 -11.380 1.488
358 HA PHE 43 HA PHE 43 247.954 -13.673 0.943
359 HB2 PHE 43 1HB PHE 43 248.207 -11.741 -0.662
360 HB3 PHE 43 2HB PHE 43 249.856 -12.282 -0.950
361 HD1 PHE 43 HD1 PHE 43 246.326 -13.419 -1.105
362 HD2 PHE 43 HD2 PHE 43 250.291 -13.884 -2.579
363 HE1 PHE 43 HE1 PHE 43 245.500 -14.968 -2.828
364 HE2 PHE 43 HE2 PHE 43 249.473 -15.438 -4.301
365 HZ PHE 43 HZ PHE 43 247.074 -15.982 -4.427
Start of MODEL 13
1 H1 VAL 1 1H VAL 1 241.678 12.923 12.138
2 H2 VAL 1 2H VAL 1 243.123 12.050 12.118
3 H3 VAL 1 3H VAL 1 242.181 12.152 10.720
4 HA VAL 1 HA VAL 1 242.571 14.513 10.575
5 HB VAL 1 HB VAL 1 244.446 14.103 12.916
6 HG11 VAL 1 1HG1 VAL 1 243.713 16.597 11.381
7 HG12 VAL 1 2HG1 VAL 1 245.260 15.751 11.316
8 HG13 VAL 1 3HG1 VAL 1 244.745 16.535 12.810
9 HG21 VAL 1 1HG2 VAL 1 241.818 15.582 12.790
10 HG22 VAL 1 2HG2 VAL 1 242.925 15.571 14.163
11 HG23 VAL 1 3HG2 VAL 1 242.129 14.080 13.660
12 H MET 2 H MET 2 245.426 12.818 11.885
13 HA MET 2 HA MET 2 246.631 13.015 9.221
14 HB2 MET 2 1HB MET 2 248.777 12.715 10.293
15 HB3 MET 2 2HB MET 2 247.897 13.976 11.142
16 HG2 MET 2 1HG MET 2 248.101 11.116 12.056
17 HG3 MET 2 2HG MET 2 249.126 12.430 12.625
18 HE1 MET 2 1HE MET 2 246.709 11.559 15.633
19 HE2 MET 2 2HE MET 2 248.391 11.658 15.117
20 HE3 MET 2 3HE MET 2 247.327 10.435 14.423
21 H LYS 3 H LYS 3 247.253 11.221 8.093
22 HA LYS 3 HA LYS 3 247.264 8.624 9.298
23 HB2 LYS 3 1HB LYS 3 245.479 7.631 7.987
24 HB3 LYS 3 2HB LYS 3 244.844 8.936 8.975
25 HG2 LYS 3 1HG LYS 3 245.560 9.314 6.082
26 HG3 LYS 3 2HG LYS 3 243.974 8.747 6.600
27 HD2 LYS 3 1HD LYS 3 243.691 10.793 7.928
28 HD3 LYS 3 2HD LYS 3 245.270 11.357 7.386
29 HE2 LYS 3 1HE LYS 3 242.907 10.780 5.601
30 HE3 LYS 3 2HE LYS 3 243.429 12.382 6.118
31 HZ1 LYS 3 1HZ LYS 3 244.998 10.485 4.449
32 HZ2 LYS 3 2HZ LYS 3 245.542 11.997 4.976
33 HZ3 LYS 3 3HZ LYS 3 244.236 11.897 3.910
34 H LYS 4 H LYS 4 248.711 7.414 8.315
35 HA LYS 4 HA LYS 4 249.771 8.219 5.737
36 HB2 LYS 4 1HB LYS 4 250.563 5.957 7.582
37 HB3 LYS 4 2HB LYS 4 251.422 6.414 6.118
38 HG2 LYS 4 1HG LYS 4 251.052 8.158 8.545
39 HG3 LYS 4 2HG LYS 4 252.516 7.264 8.133
40 HD2 LYS 4 1HD LYS 4 252.754 8.559 6.087
41 HD3 LYS 4 2HD LYS 4 251.253 9.417 6.436
42 HE2 LYS 4 1HE LYS 4 253.235 10.742 7.018
43 HE3 LYS 4 2HE LYS 4 252.235 10.389 8.426
44 HZ1 LYS 4 1HZ LYS 4 254.696 8.915 7.667
45 HZ2 LYS 4 2HZ LYS 4 253.759 8.643 9.048
46 HZ3 LYS 4 3HZ LYS 4 254.600 10.097 8.870
47 H ARG 5 H ARG 5 247.379 6.246 6.939
48 HA ARG 5 HA ARG 5 247.454 4.187 4.943
49 HB2 ARG 5 1HB ARG 5 245.421 4.968 7.019
50 HB3 ARG 5 2HB ARG 5 245.145 3.664 5.873
51 HG2 ARG 5 1HG ARG 5 247.010 2.434 6.727
52 HG3 ARG 5 2HG ARG 5 247.484 3.782 7.761
53 HD2 ARG 5 1HD ARG 5 246.329 2.057 9.035
54 HD3 ARG 5 2HD ARG 5 245.408 3.557 9.015
55 HE ARG 5 HE ARG 5 244.381 2.127 6.938
56 HH11 ARG 5 1HH1 ARG 5 244.897 1.442 10.325
57 HH12 ARG 5 2HH1 ARG 5 243.487 0.446 10.471
58 HH21 ARG 5 1HH2 ARG 5 242.531 0.808 7.118
59 HH22 ARG 5 2HH2 ARG 5 242.134 0.086 8.646
60 H THR 6 H THR 6 247.451 6.828 3.908
61 HA THR 6 HA THR 6 245.026 6.660 2.245
62 HB THR 6 HB THR 6 246.720 9.109 2.809
63 HG1 THR 6 HG1 THR 6 244.200 8.221 3.787
64 HG21 THR 6 1HG2 THR 6 244.970 10.340 1.618
65 HG22 THR 6 2HG2 THR 6 244.137 8.826 1.266
66 HG23 THR 6 3HG2 THR 6 245.726 9.142 0.569
67 H TYR 7 H TYR 7 248.389 6.488 2.499
68 HA TYR 7 HA TYR 7 248.725 6.591 -0.414
69 HB2 TYR 7 1HB TYR 7 250.668 7.282 1.794
70 HB3 TYR 7 2HB TYR 7 251.137 7.105 0.105
71 HD1 TYR 7 HD1 TYR 7 250.024 9.385 2.567
72 HD2 TYR 7 HD2 TYR 7 249.785 8.539 -1.592
73 HE1 TYR 7 HE1 TYR 7 249.402 11.724 2.131
74 HE2 TYR 7 HE2 TYR 7 249.174 10.865 -2.038
75 HH TYR 7 HH TYR 7 249.439 13.334 0.309
76 H CYS 8 H CYS 8 249.705 4.948 -1.404
77 HA CYS 8 HA CYS 8 249.396 2.390 -0.417
78 HB2 CYS 8 1HB CYS 8 249.521 2.785 -2.763
79 HB3 CYS 8 2HB CYS 8 251.137 3.457 -2.631
80 H THR 9 H THR 9 250.391 1.304 1.074
81 HA THR 9 HA THR 9 252.774 2.112 2.340
82 HB THR 9 HB THR 9 251.404 -0.585 2.405
83 HG1 THR 9 HG1 THR 9 250.874 1.895 3.608
84 HG21 THR 9 1HG2 THR 9 253.253 0.734 4.396
85 HG22 THR 9 2HG2 THR 9 253.642 -0.655 3.382
86 HG23 THR 9 3HG2 THR 9 252.407 -0.795 4.634
87 H TYR 10 H TYR 10 252.126 0.035 -0.367
88 HA TYR 10 HA TYR 10 254.700 -1.242 -0.334
89 HB2 TYR 10 1HB TYR 10 252.352 -1.276 -2.191
90 HB3 TYR 10 2HB TYR 10 253.906 -1.895 -2.746
91 HD1 TYR 10 HD1 TYR 10 253.721 -4.195 -2.826
92 HD2 TYR 10 HD2 TYR 10 252.235 -2.139 0.584
93 HE1 TYR 10 HE1 TYR 10 253.305 -6.348 -1.714
94 HE2 TYR 10 HE2 TYR 10 251.808 -4.280 1.703
95 HH TYR 10 HH TYR 10 251.586 -6.546 1.325
96 H CYS 11 H CYS 11 253.357 1.644 -1.657
97 HA CYS 11 HA CYS 11 255.558 2.123 -3.469
98 HB2 CYS 11 1HB CYS 11 253.162 3.697 -2.582
99 HB3 CYS 11 2HB CYS 11 254.491 4.520 -3.385
100 HA PRO 12 HA PRO 12 258.404 3.783 -0.504
101 HB2 PRO 12 1HB PRO 12 259.075 5.807 -2.561
102 HB3 PRO 12 2HB PRO 12 260.125 4.649 -1.745
103 HG2 PRO 12 1HG PRO 12 259.409 4.314 -4.302
104 HG3 PRO 12 2HG PRO 12 259.597 2.935 -3.203
105 HD2 PRO 12 1HD PRO 12 257.105 4.251 -4.190
106 HD3 PRO 12 2HD PRO 12 257.431 2.533 -3.879
107 H SER 13 H SER 13 258.248 5.267 1.067
108 HA SER 13 HA SER 13 255.891 6.723 1.314
109 HB2 SER 13 1HB SER 13 258.410 7.195 2.907
110 HB3 SER 13 2HB SER 13 256.745 7.465 3.421
111 HG SER 13 HG SER 13 256.480 5.120 3.055
112 H LYS 14 H LYS 14 258.987 7.739 0.034
113 HA LYS 14 HA LYS 14 258.375 10.539 0.292
114 HB2 LYS 14 1HB LYS 14 260.435 10.958 -0.875
115 HB3 LYS 14 2HB LYS 14 260.703 9.703 0.323
116 HG2 LYS 14 1HG LYS 14 260.580 8.008 -1.446
117 HG3 LYS 14 2HG LYS 14 260.354 9.290 -2.638
118 HD2 LYS 14 1HD LYS 14 262.518 10.251 -2.001
119 HD3 LYS 14 2HD LYS 14 262.744 8.953 -0.829
120 HE2 LYS 14 1HE LYS 14 263.988 8.469 -2.848
121 HE3 LYS 14 2HE LYS 14 262.670 7.313 -2.661
122 HZ1 LYS 14 1HZ LYS 14 262.835 8.079 -4.934
123 HZ2 LYS 14 2HZ LYS 14 262.656 9.688 -4.446
124 HZ3 LYS 14 3HZ LYS 14 261.379 8.599 -4.256
125 H ILE 15 H ILE 15 257.449 8.117 -1.856
126 HA ILE 15 HA ILE 15 257.133 9.865 -4.156
127 HB ILE 15 HB ILE 15 256.234 7.007 -3.740
128 HG12 ILE 15 1HG1 ILE 15 258.688 7.305 -3.683
129 HG13 ILE 15 2HG1 ILE 15 258.163 6.386 -5.090
130 HG21 ILE 15 1HG2 ILE 15 254.935 8.247 -5.443
131 HG22 ILE 15 2HG2 ILE 15 255.869 6.910 -6.113
132 HG23 ILE 15 3HG2 ILE 15 256.438 8.568 -6.308
133 HD11 ILE 15 1HD1 ILE 15 258.388 8.401 -6.464
134 HD12 ILE 15 2HD1 ILE 15 259.904 7.951 -5.683
135 HD13 ILE 15 3HD1 ILE 15 258.947 9.290 -5.048
136 H ARG 16 H ARG 16 255.141 8.274 -1.721
137 HA ARG 16 HA ARG 16 252.981 8.531 -1.068
138 HB2 ARG 16 1HB ARG 16 253.648 11.329 -1.952
139 HB3 ARG 16 2HB ARG 16 252.112 10.921 -1.201
140 HG2 ARG 16 1HG ARG 16 253.320 10.101 0.777
141 HG3 ARG 16 2HG ARG 16 254.842 10.584 0.024
142 HD2 ARG 16 1HD ARG 16 252.549 12.435 0.657
143 HD3 ARG 16 2HD ARG 16 253.999 12.246 1.643
144 HE ARG 16 HE ARG 16 254.925 12.877 -0.853
145 HH11 ARG 16 1HH1 ARG 16 252.740 14.372 1.433
146 HH12 ARG 16 2HH1 ARG 16 253.135 15.989 0.948
147 HH21 ARG 16 1HH2 ARG 16 255.441 14.998 -1.508
148 HH22 ARG 16 2HH2 ARG 16 254.660 16.344 -0.743
149 H ARG 17 H ARG 17 252.418 7.085 -2.895
150 HA ARG 17 HA ARG 17 250.714 8.431 -4.865
151 HB2 ARG 17 1HB ARG 17 251.603 5.545 -4.639
152 HB3 ARG 17 2HB ARG 17 250.457 6.124 -5.840
153 HG2 ARG 17 1HG ARG 17 252.209 7.668 -6.687
154 HG3 ARG 17 2HG ARG 17 253.344 6.920 -5.562
155 HD2 ARG 17 1HD ARG 17 253.551 5.960 -7.801
156 HD3 ARG 17 2HD ARG 17 253.002 4.755 -6.636
157 HE ARG 17 HE ARG 17 250.719 5.819 -7.752
158 HH11 ARG 17 1HH1 ARG 17 253.545 4.118 -8.926
159 HH12 ARG 17 2HH1 ARG 17 252.701 3.373 -10.244
160 HH21 ARG 17 1HH2 ARG 17 249.612 4.851 -9.469
161 HH22 ARG 17 2HH2 ARG 17 250.450 3.789 -10.567
162 H LYS 18 H LYS 18 248.530 8.340 -4.726
163 HA LYS 18 HA LYS 18 247.391 7.735 -2.213
164 HB2 LYS 18 1HB LYS 18 246.120 8.361 -4.879
165 HB3 LYS 18 2HB LYS 18 245.183 8.083 -3.422
166 HG2 LYS 18 1HG LYS 18 245.314 10.395 -3.567
167 HG3 LYS 18 2HG LYS 18 246.572 9.986 -2.401
168 HD2 LYS 18 1HD LYS 18 248.287 10.326 -3.989
169 HD3 LYS 18 2HD LYS 18 247.144 10.344 -5.332
170 HE2 LYS 18 1HE LYS 18 247.867 12.595 -4.882
171 HE3 LYS 18 2HE LYS 18 246.174 12.429 -4.433
172 HZ1 LYS 18 1HZ LYS 18 247.357 13.669 -2.768
173 HZ2 LYS 18 2HZ LYS 18 248.490 12.433 -2.575
174 HZ3 LYS 18 3HZ LYS 18 246.882 12.185 -2.113
175 H ALA 19 H ALA 19 246.566 5.925 -1.435
176 HA ALA 19 HA ALA 19 246.554 3.557 -3.132
177 HB1 ALA 19 1HB ALA 19 246.357 2.309 -1.067
178 HB2 ALA 19 2HB ALA 19 246.123 3.805 -0.161
179 HB3 ALA 19 3HB ALA 19 247.668 3.481 -0.945
180 H ASN 20 H ASN 20 244.737 3.015 -4.146
181 HA ASN 20 HA ASN 20 242.165 3.739 -2.923
182 HB2 ASN 20 1HB ASN 20 242.874 3.030 -5.778
183 HB3 ASN 20 2HB ASN 20 241.219 3.216 -5.208
184 HD21 ASN 20 1HD2 ASN 20 244.216 4.853 -5.882
185 HD22 ASN 20 2HD2 ASN 20 243.569 6.457 -5.879
186 H ALA 21 H ALA 21 243.926 1.507 -2.194
187 HA ALA 21 HA ALA 21 241.862 -0.525 -2.140
188 HB1 ALA 21 1HB ALA 21 243.518 -2.304 -2.752
189 HB2 ALA 21 2HB ALA 21 244.606 -1.019 -3.279
190 HB3 ALA 21 3HB ALA 21 243.054 -1.243 -4.079
191 H SER 22 H SER 22 242.232 -2.086 -0.466
192 HA SER 22 HA SER 22 244.395 -1.527 1.384
193 HB2 SER 22 1HB SER 22 242.648 -1.483 3.281
194 HB3 SER 22 2HB SER 22 242.845 -0.027 2.308
195 HG SER 22 HG SER 22 241.033 -0.836 1.031
196 H CYS 23 H CYS 23 245.175 -3.327 2.201
197 HA CYS 23 HA CYS 23 243.982 -5.848 1.547
198 HB2 CYS 23 1HB CYS 23 246.412 -5.498 1.554
199 HB3 CYS 23 2HB CYS 23 246.360 -5.163 3.279
200 H LYS 24 H LYS 24 242.420 -6.766 2.666
201 HA LYS 24 HA LYS 24 241.346 -5.489 4.938
202 HB2 LYS 24 1HB LYS 24 240.678 -8.153 3.694
203 HB3 LYS 24 2HB LYS 24 239.716 -7.361 4.931
204 HG2 LYS 24 1HG LYS 24 239.337 -5.470 3.429
205 HG3 LYS 24 2HG LYS 24 240.289 -6.278 2.182
206 HD2 LYS 24 1HD LYS 24 238.693 -8.137 2.177
207 HD3 LYS 24 2HD LYS 24 237.740 -7.317 3.416
208 HE2 LYS 24 1HE LYS 24 237.394 -5.434 1.876
209 HE3 LYS 24 2HE LYS 24 238.311 -6.290 0.639
210 HZ1 LYS 24 1HZ LYS 24 235.775 -7.225 1.861
211 HZ2 LYS 24 2HZ LYS 24 236.650 -8.039 0.667
212 HZ3 LYS 24 3HZ LYS 24 235.935 -6.548 0.321
213 H LYS 25 H LYS 25 243.606 -8.115 4.659
214 HA LYS 25 HA LYS 25 242.954 -9.238 7.216
215 HB2 LYS 25 1HB LYS 25 244.121 -10.379 5.151
216 HB3 LYS 25 2HB LYS 25 245.588 -9.778 5.917
217 HG2 LYS 25 1HG LYS 25 244.750 -10.899 8.041
218 HG3 LYS 25 2HG LYS 25 243.573 -11.713 7.015
219 HD2 LYS 25 1HD LYS 25 245.313 -13.245 7.152
220 HD3 LYS 25 2HD LYS 25 245.618 -12.430 5.617
221 HE2 LYS 25 1HE LYS 25 247.340 -11.095 6.573
222 HE3 LYS 25 2HE LYS 25 246.909 -11.596 8.206
223 HZ1 LYS 25 1HZ LYS 25 248.902 -12.715 7.323
224 HZ2 LYS 25 2HZ LYS 25 247.951 -13.430 6.124
225 HZ3 LYS 25 3HZ LYS 25 247.675 -13.799 7.749
226 H CYS 26 H CYS 26 245.418 -6.981 6.026
227 HA CYS 26 HA CYS 26 246.465 -6.870 8.774
228 HB2 CYS 26 1HB CYS 26 248.605 -6.164 7.846
229 HB3 CYS 26 2HB CYS 26 248.099 -7.694 7.140
230 H LYS 27 H LYS 27 244.705 -5.128 6.524
231 HA LYS 27 HA LYS 27 243.833 -3.046 6.526
232 HB2 LYS 27 1HB LYS 27 245.073 -2.948 9.273
233 HB3 LYS 27 2HB LYS 27 244.110 -1.637 8.610
234 HG2 LYS 27 1HG LYS 27 243.119 -4.457 8.959
235 HG3 LYS 27 2HG LYS 27 242.861 -3.156 10.123
236 HD2 LYS 27 1HD LYS 27 241.719 -1.859 8.344
237 HD3 LYS 27 2HD LYS 27 241.891 -3.246 7.267
238 HE2 LYS 27 1HE LYS 27 239.667 -3.142 8.303
239 HE3 LYS 27 2HE LYS 27 240.542 -4.605 8.749
240 HZ1 LYS 27 1HZ LYS 27 239.445 -3.626 10.658
241 HZ2 LYS 27 2HZ LYS 27 240.269 -2.169 10.427
242 HZ3 LYS 27 3HZ LYS 27 241.122 -3.565 10.856
243 H LYS 28 H LYS 28 246.471 -3.562 5.417
244 HA LYS 28 HA LYS 28 247.628 -0.871 5.609
245 HB2 LYS 28 1HB LYS 28 248.797 -3.337 4.298
246 HB3 LYS 28 2HB LYS 28 249.596 -1.781 4.478
247 HG2 LYS 28 1HG LYS 28 248.793 -3.639 6.707
248 HG3 LYS 28 2HG LYS 28 250.428 -3.357 6.110
249 HD2 LYS 28 1HD LYS 28 250.278 -1.016 6.806
250 HD3 LYS 28 2HD LYS 28 248.639 -1.296 7.397
251 HE2 LYS 28 1HE LYS 28 250.229 -1.344 9.233
252 HE3 LYS 28 2HE LYS 28 249.498 -2.931 9.002
253 HZ1 LYS 28 1HZ LYS 28 252.179 -2.104 8.035
254 HZ2 LYS 28 2HZ LYS 28 251.483 -3.627 7.810
255 HZ3 LYS 28 3HZ LYS 28 251.875 -3.099 9.368
256 H VAL 29 H VAL 29 247.731 0.447 3.846
257 HA VAL 29 HA VAL 29 245.806 -0.210 1.772
258 HB VAL 29 HB VAL 29 245.987 2.175 1.134
259 HG11 VAL 29 1HG1 VAL 29 244.282 1.475 2.698
260 HG12 VAL 29 2HG1 VAL 29 244.895 3.064 3.154
261 HG13 VAL 29 3HG1 VAL 29 245.414 1.630 4.042
262 HG21 VAL 29 1HG2 VAL 29 248.291 2.573 1.836
263 HG22 VAL 29 2HG2 VAL 29 247.816 2.375 3.521
264 HG23 VAL 29 3HG2 VAL 29 247.188 3.728 2.582
265 H ILE 30 H ILE 30 246.194 -0.103 -0.415
266 HA ILE 30 HA ILE 30 248.992 -0.035 -1.295
267 HB ILE 30 HB ILE 30 248.473 -2.115 -2.694
268 HG12 ILE 30 1HG1 ILE 30 246.303 -2.374 -0.596
269 HG13 ILE 30 2HG1 ILE 30 246.045 -2.119 -2.315
270 HG21 ILE 30 1HG2 ILE 30 248.699 -2.402 0.302
271 HG22 ILE 30 2HG2 ILE 30 250.034 -2.118 -0.816
272 HG23 ILE 30 3HG2 ILE 30 249.129 -3.631 -0.889
273 HD11 ILE 30 1HD1 ILE 30 247.381 -4.536 -1.136
274 HD12 ILE 30 2HD1 ILE 30 246.920 -4.286 -2.820
275 HD13 ILE 30 3HD1 ILE 30 245.677 -4.441 -1.580
276 H CYS 31 H CYS 31 249.241 0.299 -3.570
277 HA CYS 31 HA CYS 31 246.972 1.665 -4.777
278 HB2 CYS 31 1HB CYS 31 248.517 2.562 -6.377
279 HB3 CYS 31 2HB CYS 31 249.295 2.673 -4.804
280 H ARG 32 H ARG 32 246.291 1.181 -6.933
281 HA ARG 32 HA ARG 32 245.690 -1.577 -7.122
282 HB2 ARG 32 1HB ARG 32 245.208 0.581 -9.181
283 HB3 ARG 32 2HB ARG 32 244.419 -0.986 -9.117
284 HG2 ARG 32 1HG ARG 32 244.139 1.257 -7.132
285 HG3 ARG 32 2HG ARG 32 242.933 0.710 -8.292
286 HD2 ARG 32 1HD ARG 32 243.997 -0.791 -5.908
287 HD3 ARG 32 2HD ARG 32 242.367 -0.163 -6.133
288 HE ARG 32 HE ARG 32 243.153 -2.069 -8.142
289 HH11 ARG 32 1HH1 ARG 32 241.655 -1.611 -5.016
290 HH12 ARG 32 2HH1 ARG 32 240.961 -3.203 -4.965
291 HH21 ARG 32 1HH2 ARG 32 242.219 -4.150 -8.097
292 HH22 ARG 32 2HH2 ARG 32 241.291 -4.654 -6.713
293 H GLU 33 H GLU 33 248.199 0.352 -8.474
294 HA GLU 33 HA GLU 33 248.766 -1.542 -10.589
295 HB2 GLU 33 1HB GLU 33 250.164 0.970 -9.694
296 HB3 GLU 33 2HB GLU 33 250.798 -0.077 -10.954
297 HG2 GLU 33 1HG GLU 33 248.543 0.247 -12.105
298 HG3 GLU 33 2HG GLU 33 248.309 1.583 -10.978
299 H HIS 34 H HIS 34 249.394 -1.390 -7.307
300 HA HIS 34 HA HIS 34 251.917 -2.855 -7.594
301 HB2 HIS 34 1HB HIS 34 250.817 -1.144 -5.517
302 HB3 HIS 34 2HB HIS 34 251.361 -2.687 -4.865
303 HD2 HIS 34 HD2 HIS 34 253.943 -2.800 -7.089
304 HE1 HIS 34 HE1 HIS 34 255.196 0.478 -4.728
305 HE2 HIS 34 HE2 HIS 34 255.957 -1.388 -6.272
306 H ASN 35 H ASN 35 248.873 -3.162 -5.766
307 HA ASN 35 HA ASN 35 249.160 -6.082 -5.964
308 HB2 ASN 35 1HB ASN 35 248.882 -4.420 -3.488
309 HB3 ASN 35 2HB ASN 35 248.166 -6.025 -3.527
310 HD21 ASN 35 1HD2 ASN 35 251.102 -5.404 -5.295
311 HD22 ASN 35 2HD2 ASN 35 252.157 -6.252 -4.217
312 H ILE 36 H ILE 36 247.198 -7.254 -5.753
313 HA ILE 36 HA ILE 36 244.918 -5.698 -6.694
314 HB ILE 36 HB ILE 36 245.517 -7.532 -8.110
315 HG12 ILE 36 1HG1 ILE 36 243.414 -8.902 -8.067
316 HG13 ILE 36 2HG1 ILE 36 243.003 -8.124 -6.543
317 HG21 ILE 36 1HG2 ILE 36 245.426 -9.885 -7.325
318 HG22 ILE 36 2HG2 ILE 36 245.287 -9.280 -5.674
319 HG23 ILE 36 3HG2 ILE 36 246.735 -8.939 -6.621
320 HD11 ILE 36 1HD1 ILE 36 242.970 -5.958 -7.660
321 HD12 ILE 36 2HD1 ILE 36 241.842 -7.091 -8.403
322 HD13 ILE 36 3HD1 ILE 36 243.382 -6.738 -9.186
323 H ASP 37 H ASP 37 244.512 -4.822 -4.595
324 HA ASP 37 HA ASP 37 243.083 -4.561 -2.855
325 HB2 ASP 37 1HB ASP 37 242.052 -7.253 -3.733
326 HB3 ASP 37 2HB ASP 37 241.359 -6.349 -2.393
327 H MET 38 H MET 38 244.306 -7.899 -2.848
328 HA MET 38 HA MET 38 244.847 -7.630 0.020
329 HB2 MET 38 1HB MET 38 244.807 -9.997 -1.843
330 HB3 MET 38 2HB MET 38 245.502 -10.097 -0.233
331 HG2 MET 38 1HG MET 38 242.658 -9.333 -0.851
332 HG3 MET 38 2HG MET 38 243.198 -10.931 -0.336
333 HE1 MET 38 1HE MET 38 241.416 -9.861 2.902
334 HE2 MET 38 2HE MET 38 241.612 -11.087 1.651
335 HE3 MET 38 3HE MET 38 240.877 -9.533 1.255
336 H CYS 39 H CYS 39 246.910 -7.695 0.845
337 HA CYS 39 HA CYS 39 248.940 -6.930 -1.081
338 HB2 CYS 39 1HB CYS 39 250.018 -5.845 0.623
339 HB3 CYS 39 2HB CYS 39 248.395 -5.857 1.296
340 H GLN 40 H GLN 40 250.919 -7.900 -1.310
341 HA GLN 40 HA GLN 40 250.868 -10.713 -1.375
342 HB2 GLN 40 1HB GLN 40 253.131 -8.759 -1.775
343 HB3 GLN 40 2HB GLN 40 253.268 -10.485 -2.070
344 HG2 GLN 40 1HG GLN 40 251.561 -10.360 -3.780
345 HG3 GLN 40 2HG GLN 40 251.338 -8.642 -3.457
346 HE21 GLN 40 1HE2 GLN 40 251.857 -8.122 -5.594
347 HE22 GLN 40 2HE2 GLN 40 253.486 -8.179 -6.174
348 H SER 41 H SER 41 251.910 -8.533 1.083
349 HA SER 41 HA SER 41 253.642 -10.284 2.470
350 HB2 SER 41 1HB SER 41 251.892 -8.063 3.557
351 HB3 SER 41 2HB SER 41 253.220 -8.835 4.424
352 HG SER 41 HG SER 41 253.815 -7.808 1.912
353 H CYS 42 H CYS 42 250.211 -10.137 2.121
354 HA CYS 42 HA CYS 42 249.849 -12.125 4.252
355 HB2 CYS 42 1HB CYS 42 247.800 -10.469 2.767
356 HB3 CYS 42 2HB CYS 42 247.417 -11.677 3.986
357 H PHE 43 H PHE 43 248.432 -11.515 1.029
358 HA PHE 43 HA PHE 43 248.347 -14.432 0.662
359 HB2 PHE 43 1HB PHE 43 246.414 -12.333 -0.340
360 HB3 PHE 43 2HB PHE 43 246.344 -14.040 -0.762
361 HD1 PHE 43 HD1 PHE 43 245.843 -15.719 0.996
362 HD2 PHE 43 HD2 PHE 43 245.553 -11.533 1.717
363 HE1 PHE 43 HE1 PHE 43 244.461 -16.159 2.983
364 HE2 PHE 43 HE2 PHE 43 244.170 -11.967 3.704
365 HZ PHE 43 HZ PHE 43 243.623 -14.283 4.339
Start of MODEL 14
1 H1 VAL 1 1H VAL 1 248.597 15.858 9.598
2 H2 VAL 1 2H VAL 1 247.360 16.408 8.584
3 H3 VAL 1 3H VAL 1 248.051 14.892 8.324
4 HA VAL 1 HA VAL 1 247.200 14.070 10.374
5 HB VAL 1 HB VAL 1 247.251 16.070 11.712
6 HG11 VAL 1 1HG1 VAL 1 246.726 17.728 10.023
7 HG12 VAL 1 2HG1 VAL 1 245.669 17.915 11.423
8 HG13 VAL 1 3HG1 VAL 1 245.059 17.154 9.953
9 HG21 VAL 1 1HG2 VAL 1 245.048 15.983 12.794
10 HG22 VAL 1 2HG2 VAL 1 245.668 14.374 12.424
11 HG23 VAL 1 3HG2 VAL 1 244.415 15.090 11.411
12 H MET 2 H MET 2 246.489 12.887 8.540
13 HA MET 2 HA MET 2 243.625 13.039 8.178
14 HB2 MET 2 1HB MET 2 243.685 13.116 5.736
15 HB3 MET 2 2HB MET 2 244.450 14.555 6.396
16 HG2 MET 2 1HG MET 2 246.640 13.641 5.956
17 HG3 MET 2 2HG MET 2 245.929 12.127 5.406
18 HE1 MET 2 1HE MET 2 247.289 12.198 3.165
19 HE2 MET 2 2HE MET 2 248.070 13.684 3.704
20 HE3 MET 2 3HE MET 2 247.354 13.598 2.095
21 H LYS 3 H LYS 3 245.535 11.259 9.364
22 HA LYS 3 HA LYS 3 246.126 9.080 9.509
23 HB2 LYS 3 1HB LYS 3 244.008 8.844 7.395
24 HB3 LYS 3 2HB LYS 3 245.023 7.462 7.779
25 HG2 LYS 3 1HG LYS 3 243.004 7.262 9.020
26 HG3 LYS 3 2HG LYS 3 244.294 7.667 10.150
27 HD2 LYS 3 1HD LYS 3 243.569 9.987 10.175
28 HD3 LYS 3 2HD LYS 3 242.314 9.626 8.989
29 HE2 LYS 3 1HE LYS 3 241.243 8.109 10.572
30 HE3 LYS 3 2HE LYS 3 242.510 8.430 11.753
31 HZ1 LYS 3 1HZ LYS 3 241.815 10.738 11.825
32 HZ2 LYS 3 2HZ LYS 3 240.519 9.721 12.202
33 HZ3 LYS 3 3HZ LYS 3 240.609 10.441 10.675
34 H LYS 4 H LYS 4 248.049 8.387 8.991
35 HA LYS 4 HA LYS 4 249.321 9.284 6.583
36 HB2 LYS 4 1HB LYS 4 250.272 7.532 8.846
37 HB3 LYS 4 2HB LYS 4 251.272 7.920 7.456
38 HG2 LYS 4 1HG LYS 4 251.914 9.420 9.143
39 HG3 LYS 4 2HG LYS 4 250.914 10.354 8.036
40 HD2 LYS 4 1HD LYS 4 250.305 10.922 10.287
41 HD3 LYS 4 2HD LYS 4 248.987 9.999 9.564
42 HE2 LYS 4 1HE LYS 4 249.428 9.286 11.862
43 HE3 LYS 4 2HE LYS 4 249.742 7.989 10.713
44 HZ1 LYS 4 1HZ LYS 4 251.799 9.728 11.964
45 HZ2 LYS 4 2HZ LYS 4 252.105 8.485 10.861
46 HZ3 LYS 4 3HZ LYS 4 251.470 8.123 12.386
47 H ARG 5 H ARG 5 247.514 6.593 7.514
48 HA ARG 5 HA ARG 5 248.596 4.795 5.522
49 HB2 ARG 5 1HB ARG 5 246.118 4.565 7.238
50 HB3 ARG 5 2HB ARG 5 246.744 3.297 6.195
51 HG2 ARG 5 1HG ARG 5 248.144 4.479 8.582
52 HG3 ARG 5 2HG ARG 5 247.345 2.911 8.513
53 HD2 ARG 5 1HD ARG 5 248.935 2.178 6.800
54 HD3 ARG 5 2HD ARG 5 249.728 3.752 6.864
55 HE ARG 5 HE ARG 5 249.609 2.483 9.420
56 HH11 ARG 5 1HH1 ARG 5 251.372 2.541 6.404
57 HH12 ARG 5 2HH1 ARG 5 252.868 2.035 7.120
58 HH21 ARG 5 1HH2 ARG 5 251.561 1.798 10.371
59 HH22 ARG 5 2HH2 ARG 5 252.976 1.605 9.384
60 H THR 6 H THR 6 247.744 7.285 4.524
61 HA THR 6 HA THR 6 245.456 6.533 2.842
62 HB THR 6 HB THR 6 246.839 9.223 3.028
63 HG1 THR 6 HG1 THR 6 245.849 9.296 4.911
64 HG21 THR 6 1HG2 THR 6 245.555 8.871 0.965
65 HG22 THR 6 2HG2 THR 6 244.787 10.076 1.998
66 HG23 THR 6 3HG2 THR 6 244.137 8.439 1.920
67 H TYR 7 H TYR 7 248.713 6.377 2.984
68 HA TYR 7 HA TYR 7 249.060 6.543 0.075
69 HB2 TYR 7 1HB TYR 7 251.081 6.917 2.294
70 HB3 TYR 7 2HB TYR 7 251.489 6.851 0.579
71 HD1 TYR 7 HD1 TYR 7 251.001 8.690 -0.883
72 HD2 TYR 7 HD2 TYR 7 249.846 8.825 3.205
73 HE1 TYR 7 HE1 TYR 7 250.573 11.094 -1.091
74 HE2 TYR 7 HE2 TYR 7 249.407 11.231 3.008
75 HH TYR 7 HH TYR 7 250.129 13.113 1.584
76 H CYS 8 H CYS 8 249.926 4.866 -0.978
77 HA CYS 8 HA CYS 8 249.371 2.310 -0.058
78 HB2 CYS 8 1HB CYS 8 249.464 2.739 -2.393
79 HB3 CYS 8 2HB CYS 8 251.125 3.296 -2.295
80 H THR 9 H THR 9 250.316 1.038 1.309
81 HA THR 9 HA THR 9 252.695 1.674 2.662
82 HB THR 9 HB THR 9 251.257 -0.983 2.520
83 HG1 THR 9 HG1 THR 9 250.696 1.439 3.784
84 HG21 THR 9 1HG2 THR 9 252.200 -1.363 4.747
85 HG22 THR 9 2HG2 THR 9 253.067 0.170 4.646
86 HG23 THR 9 3HG2 THR 9 253.473 -1.148 3.546
87 H TYR 10 H TYR 10 252.073 -0.212 -0.195
88 HA TYR 10 HA TYR 10 254.684 -1.462 -0.165
89 HB2 TYR 10 1HB TYR 10 252.293 -1.620 -1.953
90 HB3 TYR 10 2HB TYR 10 253.855 -2.180 -2.544
91 HD1 TYR 10 HD1 TYR 10 254.323 -4.403 -2.275
92 HD2 TYR 10 HD2 TYR 10 251.745 -2.516 0.528
93 HE1 TYR 10 HE1 TYR 10 254.034 -6.546 -1.111
94 HE2 TYR 10 HE2 TYR 10 251.445 -4.649 1.703
95 HH TYR 10 HH TYR 10 253.427 -7.341 1.142
96 H CYS 11 H CYS 11 253.365 1.461 -1.231
97 HA CYS 11 HA CYS 11 255.492 1.910 -3.181
98 HB2 CYS 11 1HB CYS 11 253.021 3.403 -2.388
99 HB3 CYS 11 2HB CYS 11 254.332 4.268 -3.174
100 HA PRO 12 HA PRO 12 258.137 3.808 -0.129
101 HB2 PRO 12 1HB PRO 12 259.093 5.509 -2.342
102 HB3 PRO 12 2HB PRO 12 259.997 4.394 -1.319
103 HG2 PRO 12 1HG PRO 12 259.443 3.854 -3.906
104 HG3 PRO 12 2HG PRO 12 259.562 2.587 -2.671
105 HD2 PRO 12 1HD PRO 12 257.147 3.770 -3.952
106 HD3 PRO 12 2HD PRO 12 257.436 2.110 -3.393
107 H SER 13 H SER 13 257.774 5.486 1.193
108 HA SER 13 HA SER 13 255.527 7.108 0.833
109 HB2 SER 13 1HB SER 13 257.809 7.511 2.776
110 HB3 SER 13 2HB SER 13 256.183 8.177 2.921
111 HG SER 13 HG SER 13 257.110 5.650 3.482
112 H LYS 14 H LYS 14 258.833 7.642 -0.079
113 HA LYS 14 HA LYS 14 258.671 10.469 -0.362
114 HB2 LYS 14 1HB LYS 14 260.514 8.417 -1.585
115 HB3 LYS 14 2HB LYS 14 260.682 10.145 -1.860
116 HG2 LYS 14 1HG LYS 14 260.756 8.855 0.857
117 HG3 LYS 14 2HG LYS 14 262.185 9.241 -0.105
118 HD2 LYS 14 1HD LYS 14 261.478 11.614 -0.122
119 HD3 LYS 14 2HD LYS 14 260.126 11.192 0.928
120 HE2 LYS 14 1HE LYS 14 263.037 10.788 1.604
121 HE3 LYS 14 2HE LYS 14 262.052 12.139 2.156
122 HZ1 LYS 14 1HZ LYS 14 260.607 10.566 3.293
123 HZ2 LYS 14 2HZ LYS 14 262.200 10.425 3.838
124 HZ3 LYS 14 3HZ LYS 14 261.568 9.276 2.772
125 H ILE 15 H ILE 15 257.459 7.858 -2.203
126 HA ILE 15 HA ILE 15 257.327 9.292 -4.709
127 HB ILE 15 HB ILE 15 256.005 6.697 -3.895
128 HG12 ILE 15 1HG1 ILE 15 258.440 6.562 -3.772
129 HG13 ILE 15 2HG1 ILE 15 257.835 5.609 -5.120
130 HG21 ILE 15 1HG2 ILE 15 254.894 7.740 -5.807
131 HG22 ILE 15 2HG2 ILE 15 255.743 6.268 -6.278
132 HG23 ILE 15 3HG2 ILE 15 256.441 7.845 -6.648
133 HD11 ILE 15 1HD1 ILE 15 259.841 6.804 -5.738
134 HD12 ILE 15 2HD1 ILE 15 259.094 8.336 -5.288
135 HD13 ILE 15 3HD1 ILE 15 258.461 7.413 -6.652
136 H ARG 16 H ARG 16 255.456 8.962 -1.882
137 HA ARG 16 HA ARG 16 253.500 9.847 -1.151
138 HB2 ARG 16 1HB ARG 16 253.896 11.694 -3.506
139 HB3 ARG 16 2HB ARG 16 252.760 11.960 -2.193
140 HG2 ARG 16 1HG ARG 16 254.588 12.109 -0.608
141 HG3 ARG 16 2HG ARG 16 255.749 11.770 -1.894
142 HD2 ARG 16 1HD ARG 16 253.919 14.159 -1.722
143 HD3 ARG 16 2HD ARG 16 255.655 14.152 -1.423
144 HE ARG 16 HE ARG 16 254.739 13.279 -4.052
145 HH11 ARG 16 1HH1 ARG 16 256.171 15.784 -2.071
146 HH12 ARG 16 2HH1 ARG 16 256.804 16.668 -3.421
147 HH21 ARG 16 1HH2 ARG 16 255.556 14.445 -5.838
148 HH22 ARG 16 2HH2 ARG 16 256.445 15.911 -5.566
149 H ARG 17 H ARG 17 253.305 7.612 -2.862
150 HA ARG 17 HA ARG 17 251.181 8.087 -4.755
151 HB2 ARG 17 1HB ARG 17 253.001 6.429 -5.160
152 HB3 ARG 17 2HB ARG 17 252.394 5.477 -3.815
153 HG2 ARG 17 1HG ARG 17 251.670 4.539 -5.923
154 HG3 ARG 17 2HG ARG 17 250.286 5.132 -5.005
155 HD2 ARG 17 1HD ARG 17 250.062 7.033 -6.392
156 HD3 ARG 17 2HD ARG 17 251.639 6.774 -7.131
157 HE ARG 17 HE ARG 17 250.596 4.679 -8.085
158 HH11 ARG 17 1HH1 ARG 17 248.660 7.487 -7.277
159 HH12 ARG 17 2HH1 ARG 17 247.480 7.177 -8.508
160 HH21 ARG 17 1HH2 ARG 17 249.049 4.286 -9.697
161 HH22 ARG 17 2HH2 ARG 17 247.694 5.356 -9.880
162 H LYS 18 H LYS 18 249.136 8.227 -4.163
163 HA LYS 18 HA LYS 18 248.279 7.583 -1.527
164 HB2 LYS 18 1HB LYS 18 246.790 8.489 -3.988
165 HB3 LYS 18 2HB LYS 18 245.972 8.135 -2.475
166 HG2 LYS 18 1HG LYS 18 246.281 10.476 -2.553
167 HG3 LYS 18 2HG LYS 18 247.455 9.857 -1.392
168 HD2 LYS 18 1HD LYS 18 249.207 9.980 -3.078
169 HD3 LYS 18 2HD LYS 18 248.036 10.547 -4.270
170 HE2 LYS 18 1HE LYS 18 247.676 12.572 -3.034
171 HE3 LYS 18 2HE LYS 18 248.677 11.990 -1.704
172 HZ1 LYS 18 1HZ LYS 18 249.608 12.602 -4.458
173 HZ2 LYS 18 2HZ LYS 18 250.580 11.978 -3.224
174 HZ3 LYS 18 3HZ LYS 18 249.910 13.525 -3.073
175 H ALA 19 H ALA 19 246.510 6.153 -0.992
176 HA ALA 19 HA ALA 19 246.347 3.808 -2.767
177 HB1 ALA 19 1HB ALA 19 247.823 3.353 -0.876
178 HB2 ALA 19 2HB ALA 19 246.362 2.372 -0.807
179 HB3 ALA 19 3HB ALA 19 246.529 3.784 0.239
180 H ASN 20 H ASN 20 244.329 3.671 -3.487
181 HA ASN 20 HA ASN 20 242.128 4.427 -1.703
182 HB2 ASN 20 1HB ASN 20 240.718 4.519 -3.680
183 HB3 ASN 20 2HB ASN 20 242.157 5.496 -3.934
184 HD21 ASN 20 1HD2 ASN 20 240.368 4.352 -5.885
185 HD22 ASN 20 2HD2 ASN 20 241.335 3.334 -6.894
186 H ALA 21 H ALA 21 243.862 1.817 -2.261
187 HA ALA 21 HA ALA 21 241.568 -0.000 -1.936
188 HB1 ALA 21 1HB ALA 21 242.647 -0.472 -4.050
189 HB2 ALA 21 2HB ALA 21 243.000 -1.776 -2.917
190 HB3 ALA 21 3HB ALA 21 244.222 -0.555 -3.265
191 H SER 22 H SER 22 241.956 -1.791 -0.460
192 HA SER 22 HA SER 22 244.208 -1.412 1.364
193 HB2 SER 22 1HB SER 22 241.338 -1.532 2.316
194 HB3 SER 22 2HB SER 22 242.774 -1.395 3.330
195 HG SER 22 HG SER 22 242.150 0.513 1.337
196 H CYS 23 H CYS 23 244.964 -3.258 2.230
197 HA CYS 23 HA CYS 23 243.851 -5.773 1.362
198 HB2 CYS 23 1HB CYS 23 246.276 -5.459 1.508
199 HB3 CYS 23 2HB CYS 23 246.142 -5.117 3.228
200 H LYS 24 H LYS 24 242.322 -6.873 2.433
201 HA LYS 24 HA LYS 24 241.218 -5.711 4.803
202 HB2 LYS 24 1HB LYS 24 240.471 -8.133 3.171
203 HB3 LYS 24 2HB LYS 24 239.625 -7.703 4.650
204 HG2 LYS 24 1HG LYS 24 238.341 -6.850 2.861
205 HG3 LYS 24 2HG LYS 24 239.145 -5.467 3.602
206 HD2 LYS 24 1HD LYS 24 240.858 -5.544 1.836
207 HD3 LYS 24 2HD LYS 24 240.004 -6.893 1.084
208 HE2 LYS 24 1HE LYS 24 238.040 -5.463 0.772
209 HE3 LYS 24 2HE LYS 24 238.900 -4.120 1.522
210 HZ1 LYS 24 1HZ LYS 24 240.542 -4.251 -0.269
211 HZ2 LYS 24 2HZ LYS 24 238.988 -3.939 -0.860
212 HZ3 LYS 24 3HZ LYS 24 239.649 -5.491 -1.007
213 H LYS 25 H LYS 25 243.534 -8.157 4.224
214 HA LYS 25 HA LYS 25 242.952 -9.596 6.663
215 HB2 LYS 25 1HB LYS 25 245.055 -9.946 4.546
216 HB3 LYS 25 2HB LYS 25 245.053 -10.886 6.032
217 HG2 LYS 25 1HG LYS 25 242.756 -11.658 5.466
218 HG3 LYS 25 2HG LYS 25 242.916 -10.833 3.915
219 HD2 LYS 25 1HD LYS 25 243.430 -13.175 3.636
220 HD3 LYS 25 2HD LYS 25 244.897 -12.223 3.416
221 HE2 LYS 25 1HE LYS 25 245.361 -14.209 4.739
222 HE3 LYS 25 2HE LYS 25 245.580 -12.759 5.714
223 HZ1 LYS 25 1HZ LYS 25 244.393 -14.522 6.900
224 HZ2 LYS 25 2HZ LYS 25 243.159 -14.479 5.745
225 HZ3 LYS 25 3HZ LYS 25 243.440 -13.136 6.732
226 H CYS 26 H CYS 26 244.618 -6.765 6.067
227 HA CYS 26 HA CYS 26 245.811 -6.974 8.710
228 HB2 CYS 26 1HB CYS 26 248.017 -6.198 7.999
229 HB3 CYS 26 2HB CYS 26 247.611 -7.731 7.234
230 H LYS 27 H LYS 27 244.345 -5.169 6.279
231 HA LYS 27 HA LYS 27 243.478 -3.105 6.176
232 HB2 LYS 27 1HB LYS 27 244.406 -2.850 9.038
233 HB3 LYS 27 2HB LYS 27 243.392 -1.681 8.206
234 HG2 LYS 27 1HG LYS 27 242.683 -4.549 8.795
235 HG3 LYS 27 2HG LYS 27 242.059 -3.126 9.624
236 HD2 LYS 27 1HD LYS 27 241.659 -3.761 6.699
237 HD3 LYS 27 2HD LYS 27 240.473 -4.033 7.970
238 HE2 LYS 27 1HE LYS 27 241.622 -1.344 7.232
239 HE3 LYS 27 2HE LYS 27 240.070 -1.962 6.674
240 HZ1 LYS 27 1HZ LYS 27 239.757 -0.510 8.548
241 HZ2 LYS 27 2HZ LYS 27 240.828 -1.415 9.492
242 HZ3 LYS 27 3HZ LYS 27 239.359 -2.091 9.002
243 H LYS 28 H LYS 28 246.424 -3.738 5.723
244 HA LYS 28 HA LYS 28 247.538 -1.059 5.778
245 HB2 LYS 28 1HB LYS 28 248.559 -3.557 4.397
246 HB3 LYS 28 2HB LYS 28 249.430 -2.040 4.540
247 HG2 LYS 28 1HG LYS 28 248.601 -3.774 6.857
248 HG3 LYS 28 2HG LYS 28 250.203 -3.755 6.122
249 HD2 LYS 28 1HD LYS 28 250.415 -1.371 6.709
250 HD3 LYS 28 2HD LYS 28 248.835 -1.440 7.490
251 HE2 LYS 28 1HE LYS 28 249.662 -3.101 9.062
252 HE3 LYS 28 2HE LYS 28 251.231 -3.102 8.258
253 HZ1 LYS 28 1HZ LYS 28 250.006 -0.780 9.641
254 HZ2 LYS 28 2HZ LYS 28 251.520 -0.797 8.884
255 HZ3 LYS 28 3HZ LYS 28 251.251 -1.747 10.254
256 H VAL 29 H VAL 29 247.735 0.269 3.981
257 HA VAL 29 HA VAL 29 245.681 -0.271 1.989
258 HB VAL 29 HB VAL 29 245.875 2.137 1.432
259 HG11 VAL 29 1HG1 VAL 29 244.211 1.366 3.020
260 HG12 VAL 29 2HG1 VAL 29 244.834 2.944 3.505
261 HG13 VAL 29 3HG1 VAL 29 245.381 1.488 4.334
262 HG21 VAL 29 1HG2 VAL 29 248.208 2.475 2.096
263 HG22 VAL 29 2HG2 VAL 29 247.766 2.218 3.783
264 HG23 VAL 29 3HG2 VAL 29 247.138 3.615 2.909
265 H ILE 30 H ILE 30 246.000 -0.130 -0.200
266 HA ILE 30 HA ILE 30 248.770 -0.029 -1.147
267 HB ILE 30 HB ILE 30 248.298 -2.031 -2.599
268 HG12 ILE 30 1HG1 ILE 30 245.926 -2.254 -0.733
269 HG13 ILE 30 2HG1 ILE 30 245.895 -2.139 -2.489
270 HG21 ILE 30 1HG2 ILE 30 249.733 -2.174 -0.640
271 HG22 ILE 30 2HG2 ILE 30 248.802 -3.658 -0.838
272 HG23 ILE 30 3HG2 ILE 30 248.329 -2.477 0.384
273 HD11 ILE 30 1HD1 ILE 30 245.429 -4.386 -1.904
274 HD12 ILE 30 2HD1 ILE 30 246.812 -4.456 -0.813
275 HD13 ILE 30 3HD1 ILE 30 247.070 -4.349 -2.552
276 H CYS 31 H CYS 31 248.991 0.476 -3.342
277 HA CYS 31 HA CYS 31 246.841 2.087 -4.417
278 HB2 CYS 31 1HB CYS 31 248.465 2.797 -6.072
279 HB3 CYS 31 2HB CYS 31 249.257 2.795 -4.499
280 H ARG 32 H ARG 32 246.258 1.833 -6.772
281 HA ARG 32 HA ARG 32 245.494 -0.884 -7.264
282 HB2 ARG 32 1HB ARG 32 245.178 1.571 -8.990
283 HB3 ARG 32 2HB ARG 32 244.467 0.004 -9.341
284 HG2 ARG 32 1HG ARG 32 243.865 1.753 -6.967
285 HG3 ARG 32 2HG ARG 32 242.825 1.473 -8.363
286 HD2 ARG 32 1HD ARG 32 243.691 -0.589 -6.334
287 HD3 ARG 32 2HD ARG 32 242.097 0.148 -6.455
288 HE ARG 32 HE ARG 32 243.123 -1.377 -8.740
289 HH11 ARG 32 1HH1 ARG 32 240.868 -1.090 -6.075
290 HH12 ARG 32 2HH1 ARG 32 239.830 -2.353 -6.651
291 HH21 ARG 32 1HH2 ARG 32 241.767 -3.043 -9.495
292 HH22 ARG 32 2HH2 ARG 32 240.349 -3.472 -8.594
293 H GLU 33 H GLU 33 248.400 0.247 -7.477
294 HA GLU 33 HA GLU 33 249.058 -1.264 -9.915
295 HB2 GLU 33 1HB GLU 33 250.778 0.668 -8.349
296 HB3 GLU 33 2HB GLU 33 251.244 -0.155 -9.829
297 HG2 GLU 33 1HG GLU 33 249.599 1.063 -11.083
298 HG3 GLU 33 2HG GLU 33 248.967 1.798 -9.610
299 H HIS 34 H HIS 34 248.872 -1.406 -6.596
300 HA HIS 34 HA HIS 34 250.736 -3.686 -6.469
301 HB2 HIS 34 1HB HIS 34 250.401 -1.423 -4.495
302 HB3 HIS 34 2HB HIS 34 251.048 -2.981 -4.003
303 HD2 HIS 34 HD2 HIS 34 253.021 -3.355 -6.656
304 HE1 HIS 34 HE1 HIS 34 254.832 0.102 -5.024
305 HE2 HIS 34 HE2 HIS 34 255.218 -2.008 -6.376
306 H ASN 35 H ASN 35 247.862 -3.568 -6.961
307 HA ASN 35 HA ASN 35 246.798 -4.529 -4.395
308 HB2 ASN 35 1HB ASN 35 245.717 -2.479 -4.912
309 HB3 ASN 35 2HB ASN 35 245.445 -2.964 -6.579
310 HD21 ASN 35 1HD2 ASN 35 243.691 -4.216 -7.083
311 HD22 ASN 35 2HD2 ASN 35 242.456 -4.623 -5.941
312 H ILE 36 H ILE 36 246.303 -6.555 -4.294
313 HA ILE 36 HA ILE 36 244.921 -7.771 -6.590
314 HB ILE 36 HB ILE 36 245.667 -9.998 -5.695
315 HG12 ILE 36 1HG1 ILE 36 247.517 -8.274 -4.032
316 HG13 ILE 36 2HG1 ILE 36 246.238 -9.317 -3.420
317 HG21 ILE 36 1HG2 ILE 36 247.921 -9.882 -6.651
318 HG22 ILE 36 2HG2 ILE 36 247.850 -8.122 -6.586
319 HG23 ILE 36 3HG2 ILE 36 246.744 -9.011 -7.634
320 HD11 ILE 36 1HD1 ILE 36 247.444 -11.271 -4.242
321 HD12 ILE 36 2HD1 ILE 36 248.419 -10.324 -3.118
322 HD13 ILE 36 3HD1 ILE 36 248.724 -10.222 -4.853
323 H ASP 37 H ASP 37 243.799 -6.139 -4.591
324 HA ASP 37 HA ASP 37 242.228 -5.955 -2.968
325 HB2 ASP 37 1HB ASP 37 240.915 -7.384 -4.525
326 HB3 ASP 37 2HB ASP 37 241.520 -8.812 -3.690
327 H MET 38 H MET 38 244.888 -7.088 -2.511
328 HA MET 38 HA MET 38 244.769 -7.660 0.244
329 HB2 MET 38 1HB MET 38 243.960 -9.850 -0.721
330 HB3 MET 38 2HB MET 38 245.500 -9.994 -1.552
331 HG2 MET 38 1HG MET 38 246.671 -10.110 0.556
332 HG3 MET 38 2HG MET 38 245.166 -9.846 1.436
333 HE1 MET 38 1HE MET 38 243.183 -13.124 0.562
334 HE2 MET 38 2HE MET 38 243.190 -11.679 -0.445
335 HE3 MET 38 3HE MET 38 243.109 -11.529 1.310
336 H CYS 39 H CYS 39 246.980 -7.901 1.072
337 HA CYS 39 HA CYS 39 248.942 -6.905 -0.855
338 HB2 CYS 39 1HB CYS 39 250.120 -5.955 0.909
339 HB3 CYS 39 2HB CYS 39 248.461 -5.799 1.468
340 H GLN 40 H GLN 40 251.038 -7.858 -0.912
341 HA GLN 40 HA GLN 40 250.954 -10.627 -1.245
342 HB2 GLN 40 1HB GLN 40 252.495 -9.160 -2.448
343 HB3 GLN 40 2HB GLN 40 253.357 -8.820 -0.954
344 HG2 GLN 40 1HG GLN 40 254.014 -11.158 -0.793
345 HG3 GLN 40 2HG GLN 40 253.135 -11.510 -2.280
346 HE21 GLN 40 1HE2 GLN 40 253.922 -8.991 -3.525
347 HE22 GLN 40 2HE2 GLN 40 255.582 -9.181 -3.972
348 H SER 41 H SER 41 251.652 -8.751 1.577
349 HA SER 41 HA SER 41 253.059 -10.831 2.961
350 HB2 SER 41 1HB SER 41 251.779 -8.288 3.974
351 HB3 SER 41 2HB SER 41 252.809 -9.349 4.935
352 HG SER 41 HG SER 41 254.175 -8.887 2.770
353 H CYS 42 H CYS 42 249.841 -10.501 2.130
354 HA CYS 42 HA CYS 42 249.079 -12.325 4.323
355 HB2 CYS 42 1HB CYS 42 247.291 -10.390 2.843
356 HB3 CYS 42 2HB CYS 42 246.748 -11.559 4.039
357 H PHE 43 H PHE 43 249.450 -11.930 0.964
358 HA PHE 43 HA PHE 43 247.382 -13.769 0.195
359 HB2 PHE 43 1HB PHE 43 248.177 -11.849 -1.238
360 HB3 PHE 43 2HB PHE 43 249.650 -12.771 -1.526
361 HD1 PHE 43 HD1 PHE 43 249.639 -14.720 -2.945
362 HD2 PHE 43 HD2 PHE 43 246.050 -12.576 -2.158
363 HE1 PHE 43 HE1 PHE 43 248.531 -15.904 -4.792
364 HE2 PHE 43 HE2 PHE 43 244.936 -13.759 -4.004
365 HZ PHE 43 HZ PHE 43 246.177 -15.427 -5.322
Start of MODEL 15
1 H1 VAL 1 1H VAL 1 250.814 13.772 7.741
2 H2 VAL 1 2H VAL 1 250.219 15.286 8.197
3 H3 VAL 1 3H VAL 1 251.033 15.107 6.728
4 HA VAL 1 HA VAL 1 248.643 15.279 6.417
5 HB VAL 1 HB VAL 1 248.317 13.237 5.058
6 HG11 VAL 1 1HG1 VAL 1 251.031 14.520 4.824
7 HG12 VAL 1 2HG1 VAL 1 249.530 15.077 4.089
8 HG13 VAL 1 3HG1 VAL 1 250.257 13.559 3.566
9 HG21 VAL 1 1HG2 VAL 1 250.921 12.349 6.296
10 HG22 VAL 1 2HG2 VAL 1 250.131 11.570 4.926
11 HG23 VAL 1 3HG2 VAL 1 249.344 11.590 6.504
12 H MET 2 H MET 2 246.576 14.519 6.816
13 HA MET 2 HA MET 2 246.220 13.058 9.289
14 HB2 MET 2 1HB MET 2 244.181 14.171 7.341
15 HB3 MET 2 2HB MET 2 243.810 13.494 8.922
16 HG2 MET 2 1HG MET 2 245.075 15.277 9.995
17 HG3 MET 2 2HG MET 2 245.487 15.943 8.417
18 HE1 MET 2 1HE MET 2 244.577 18.322 9.135
19 HE2 MET 2 2HE MET 2 244.188 17.679 10.731
20 HE3 MET 2 3HE MET 2 242.977 18.590 9.828
21 H LYS 3 H LYS 3 245.625 10.982 9.481
22 HA LYS 3 HA LYS 3 245.333 8.805 8.966
23 HB2 LYS 3 1HB LYS 3 243.936 9.942 6.543
24 HB3 LYS 3 2HB LYS 3 243.946 8.236 6.964
25 HG2 LYS 3 1HG LYS 3 242.843 10.433 8.704
26 HG3 LYS 3 2HG LYS 3 241.883 9.381 7.659
27 HD2 LYS 3 1HD LYS 3 242.643 7.429 8.921
28 HD3 LYS 3 2HD LYS 3 243.620 8.473 9.954
29 HE2 LYS 3 1HE LYS 3 240.619 8.588 9.684
30 HE3 LYS 3 2HE LYS 3 241.497 7.839 11.015
31 HZ1 LYS 3 1HZ LYS 3 242.460 10.014 11.526
32 HZ2 LYS 3 2HZ LYS 3 240.774 10.041 11.622
33 HZ3 LYS 3 3HZ LYS 3 241.552 10.717 10.285
34 H LYS 4 H LYS 4 247.494 8.401 8.812
35 HA LYS 4 HA LYS 4 249.102 8.751 6.536
36 HB2 LYS 4 1HB LYS 4 249.307 6.771 8.808
37 HB3 LYS 4 2HB LYS 4 250.552 6.986 7.589
38 HG2 LYS 4 1HG LYS 4 249.589 9.159 9.433
39 HG3 LYS 4 2HG LYS 4 251.007 8.154 9.724
40 HD2 LYS 4 1HD LYS 4 250.603 9.954 7.336
41 HD3 LYS 4 2HD LYS 4 251.578 10.344 8.751
42 HE2 LYS 4 1HE LYS 4 252.055 8.043 6.861
43 HE3 LYS 4 2HE LYS 4 252.953 9.558 6.881
44 HZ1 LYS 4 1HZ LYS 4 254.153 7.826 8.032
45 HZ2 LYS 4 2HZ LYS 4 252.853 7.563 9.080
46 HZ3 LYS 4 3HZ LYS 4 253.693 9.029 9.127
47 H ARG 5 H ARG 5 246.706 6.426 7.316
48 HA ARG 5 HA ARG 5 247.679 4.391 5.525
49 HB2 ARG 5 1HB ARG 5 246.311 4.099 7.706
50 HB3 ARG 5 2HB ARG 5 244.920 4.456 6.696
51 HG2 ARG 5 1HG ARG 5 245.463 2.566 5.266
52 HG3 ARG 5 2HG ARG 5 246.874 2.212 6.262
53 HD2 ARG 5 1HD ARG 5 243.990 2.134 7.126
54 HD3 ARG 5 2HD ARG 5 245.049 0.749 6.874
55 HE ARG 5 HE ARG 5 246.067 2.602 8.809
56 HH11 ARG 5 1HH1 ARG 5 243.923 -0.117 8.321
57 HH12 ARG 5 2HH1 ARG 5 243.940 -0.593 9.989
58 HH21 ARG 5 1HH2 ARG 5 246.113 1.978 11.000
59 HH22 ARG 5 2HH2 ARG 5 245.202 0.593 11.515
60 H THR 6 H THR 6 246.966 7.101 4.502
61 HA THR 6 HA THR 6 244.842 6.439 2.605
62 HB THR 6 HB THR 6 246.408 9.015 2.881
63 HG1 THR 6 HG1 THR 6 245.254 8.895 4.731
64 HG21 THR 6 1HG2 THR 6 245.364 8.747 0.693
65 HG22 THR 6 2HG2 THR 6 244.541 9.998 1.625
66 HG23 THR 6 3HG2 THR 6 243.815 8.401 1.461
67 H TYR 7 H TYR 7 248.211 6.420 2.927
68 HA TYR 7 HA TYR 7 248.633 6.508 0.027
69 HB2 TYR 7 1HB TYR 7 250.580 6.860 2.312
70 HB3 TYR 7 2HB TYR 7 251.036 6.837 0.611
71 HD1 TYR 7 HD1 TYR 7 249.438 8.767 3.271
72 HD2 TYR 7 HD2 TYR 7 250.447 8.686 -0.860
73 HE1 TYR 7 HE1 TYR 7 249.001 11.180 3.125
74 HE2 TYR 7 HE2 TYR 7 250.022 11.097 -1.018
75 HH TYR 7 HH TYR 7 248.822 12.843 0.123
76 H CYS 8 H CYS 8 249.555 4.872 -1.032
77 HA CYS 8 HA CYS 8 249.086 2.265 -0.196
78 HB2 CYS 8 1HB CYS 8 249.183 2.716 -2.501
79 HB3 CYS 8 2HB CYS 8 250.765 3.466 -2.377
80 H THR 9 H THR 9 250.087 0.969 1.138
81 HA THR 9 HA THR 9 252.464 1.626 2.495
82 HB THR 9 HB THR 9 251.029 -1.025 2.260
83 HG1 THR 9 HG1 THR 9 250.842 1.157 4.085
84 HG21 THR 9 1HG2 THR 9 253.259 -1.408 3.096
85 HG22 THR 9 2HG2 THR 9 252.117 -1.530 4.436
86 HG23 THR 9 3HG2 THR 9 253.098 -0.079 4.243
87 H TYR 10 H TYR 10 251.854 -0.188 -0.412
88 HA TYR 10 HA TYR 10 254.452 -1.389 -0.549
89 HB2 TYR 10 1HB TYR 10 252.112 -1.177 -2.397
90 HB3 TYR 10 2HB TYR 10 253.678 -1.647 -3.052
91 HD1 TYR 10 HD1 TYR 10 253.922 -3.896 -3.334
92 HD2 TYR 10 HD2 TYR 10 251.671 -2.505 -0.006
93 HE1 TYR 10 HE1 TYR 10 253.565 -6.215 -2.613
94 HE2 TYR 10 HE2 TYR 10 251.301 -4.819 0.724
95 HH TYR 10 HH TYR 10 253.069 -7.412 -0.469
96 H CYS 11 H CYS 11 253.120 1.662 -1.330
97 HA CYS 11 HA CYS 11 255.343 2.409 -3.056
98 HB2 CYS 11 1HB CYS 11 252.821 3.776 -2.167
99 HB3 CYS 11 2HB CYS 11 254.145 4.723 -2.827
100 HA PRO 12 HA PRO 12 257.843 3.638 0.465
101 HB2 PRO 12 1HB PRO 12 259.170 5.250 -1.650
102 HB3 PRO 12 2HB PRO 12 259.872 4.108 -0.503
103 HG2 PRO 12 1HG PRO 12 259.572 3.476 -3.083
104 HG3 PRO 12 2HG PRO 12 259.345 2.272 -1.801
105 HD2 PRO 12 1HD PRO 12 257.311 3.707 -3.438
106 HD3 PRO 12 2HD PRO 12 257.293 2.047 -2.811
107 H SER 13 H SER 13 258.122 5.513 1.690
108 HA SER 13 HA SER 13 255.970 7.316 1.562
109 HB2 SER 13 1HB SER 13 258.506 7.471 3.206
110 HB3 SER 13 2HB SER 13 257.047 8.422 3.485
111 HG SER 13 HG SER 13 257.550 5.732 3.990
112 H LYS 14 H LYS 14 259.057 7.450 0.058
113 HA LYS 14 HA LYS 14 258.993 10.313 -0.321
114 HB2 LYS 14 1HB LYS 14 260.705 8.205 -1.649
115 HB3 LYS 14 2HB LYS 14 260.921 9.941 -1.818
116 HG2 LYS 14 1HG LYS 14 261.184 8.372 0.735
117 HG3 LYS 14 2HG LYS 14 262.509 9.000 -0.241
118 HD2 LYS 14 1HD LYS 14 261.692 11.287 0.154
119 HD3 LYS 14 2HD LYS 14 260.397 10.636 1.162
120 HE2 LYS 14 1HE LYS 14 262.089 9.664 2.665
121 HE3 LYS 14 2HE LYS 14 263.358 10.386 1.679
122 HZ1 LYS 14 1HZ LYS 14 261.259 11.879 3.156
123 HZ2 LYS 14 2HZ LYS 14 262.479 12.570 2.211
124 HZ3 LYS 14 3HZ LYS 14 262.877 11.729 3.621
125 H ILE 15 H ILE 15 257.652 7.560 -1.853
126 HA ILE 15 HA ILE 15 257.396 8.791 -4.456
127 HB ILE 15 HB ILE 15 256.168 6.248 -3.376
128 HG12 ILE 15 1HG1 ILE 15 258.596 6.115 -3.434
129 HG13 ILE 15 2HG1 ILE 15 257.917 5.122 -4.717
130 HG21 ILE 15 1HG2 ILE 15 255.734 5.670 -5.703
131 HG22 ILE 15 2HG2 ILE 15 256.361 7.236 -6.215
132 HG23 ILE 15 3HG2 ILE 15 254.892 7.150 -5.246
133 HD11 ILE 15 1HD1 ILE 15 258.405 6.922 -6.323
134 HD12 ILE 15 2HD1 ILE 15 259.847 6.297 -5.524
135 HD13 ILE 15 3HD1 ILE 15 259.162 7.842 -5.023
136 H ARG 16 H ARG 16 255.291 8.042 -1.709
137 HA ARG 16 HA ARG 16 253.310 8.920 -1.018
138 HB2 ARG 16 1HB ARG 16 254.418 11.244 -2.586
139 HB3 ARG 16 2HB ARG 16 252.945 11.352 -1.630
140 HG2 ARG 16 1HG ARG 16 255.477 10.384 -0.377
141 HG3 ARG 16 2HG ARG 16 255.196 12.111 -0.609
142 HD2 ARG 16 1HD ARG 16 253.270 10.274 0.805
143 HD3 ARG 16 2HD ARG 16 254.509 11.221 1.631
144 HE ARG 16 HE ARG 16 252.574 12.600 -0.086
145 HH11 ARG 16 1HH1 ARG 16 253.715 11.871 3.150
146 HH12 ARG 16 2HH1 ARG 16 252.956 13.258 3.863
147 HH21 ARG 16 1HH2 ARG 16 251.573 14.408 0.845
148 HH22 ARG 16 2HH2 ARG 16 251.745 14.715 2.545
149 H ARG 17 H ARG 17 252.420 7.221 -2.555
150 HA ARG 17 HA ARG 17 250.620 8.602 -4.427
151 HB2 ARG 17 1HB ARG 17 251.906 5.893 -4.657
152 HB3 ARG 17 2HB ARG 17 250.398 6.245 -5.492
153 HG2 ARG 17 1HG ARG 17 251.533 8.191 -6.568
154 HG3 ARG 17 2HG ARG 17 253.041 7.640 -5.845
155 HD2 ARG 17 1HD ARG 17 251.327 6.015 -7.722
156 HD3 ARG 17 2HD ARG 17 252.761 6.918 -8.198
157 HE ARG 17 HE ARG 17 253.339 5.094 -6.091
158 HH11 ARG 17 1HH1 ARG 17 252.743 5.255 -9.535
159 HH12 ARG 17 2HH1 ARG 17 253.709 3.862 -9.899
160 HH21 ARG 17 1HH2 ARG 17 254.621 3.247 -6.576
161 HH22 ARG 17 2HH2 ARG 17 254.755 2.714 -8.223
162 H LYS 18 H LYS 18 248.531 8.479 -4.024
163 HA LYS 18 HA LYS 18 247.643 7.410 -1.559
164 HB2 LYS 18 1HB LYS 18 246.156 8.576 -3.905
165 HB3 LYS 18 2HB LYS 18 245.328 7.975 -2.478
166 HG2 LYS 18 1HG LYS 18 245.479 10.231 -2.051
167 HG3 LYS 18 2HG LYS 18 246.884 9.602 -1.193
168 HD2 LYS 18 1HD LYS 18 248.348 10.285 -2.959
169 HD3 LYS 18 2HD LYS 18 246.983 10.723 -3.989
170 HE2 LYS 18 1HE LYS 18 247.727 12.041 -1.379
171 HE3 LYS 18 2HE LYS 18 248.027 12.698 -2.985
172 HZ1 LYS 18 1HZ LYS 18 246.065 13.688 -2.035
173 HZ2 LYS 18 2HZ LYS 18 245.364 12.172 -1.774
174 HZ3 LYS 18 3HZ LYS 18 245.617 12.726 -3.351
175 H ALA 19 H ALA 19 246.259 5.718 -1.122
176 HA ALA 19 HA ALA 19 246.444 3.518 -3.034
177 HB1 ALA 19 1HB ALA 19 245.590 3.517 -0.147
178 HB2 ALA 19 2HB ALA 19 247.215 3.166 -0.735
179 HB3 ALA 19 3HB ALA 19 245.877 2.096 -1.153
180 H ASN 20 H ASN 20 244.759 2.941 -4.246
181 HA ASN 20 HA ASN 20 242.100 3.953 -3.567
182 HB2 ASN 20 1HB ASN 20 243.171 2.687 -6.095
183 HB3 ASN 20 2HB ASN 20 241.484 3.123 -5.862
184 HD21 ASN 20 1HD2 ASN 20 243.416 4.095 -7.811
185 HD22 ASN 20 2HD2 ASN 20 243.469 5.810 -7.604
186 H ALA 21 H ALA 21 243.866 1.322 -2.864
187 HA ALA 21 HA ALA 21 241.491 -0.311 -2.436
188 HB1 ALA 21 1HB ALA 21 242.643 -2.329 -3.289
189 HB2 ALA 21 2HB ALA 21 243.955 -1.305 -3.869
190 HB3 ALA 21 3HB ALA 21 242.338 -1.135 -4.549
191 H SER 22 H SER 22 242.238 -2.343 -1.117
192 HA SER 22 HA SER 22 244.524 -1.885 0.580
193 HB2 SER 22 1HB SER 22 242.734 -0.436 1.565
194 HB3 SER 22 2HB SER 22 241.760 -1.883 1.805
195 HG SER 22 HG SER 22 244.380 -1.733 2.832
196 H CYS 23 H CYS 23 245.144 -3.726 1.695
197 HA CYS 23 HA CYS 23 243.872 -6.200 0.913
198 HB2 CYS 23 1HB CYS 23 246.369 -5.993 1.101
199 HB3 CYS 23 2HB CYS 23 246.172 -5.793 2.840
200 H LYS 24 H LYS 24 242.120 -6.854 1.961
201 HA LYS 24 HA LYS 24 241.198 -5.672 4.343
202 HB2 LYS 24 1HB LYS 24 240.338 -8.271 3.062
203 HB3 LYS 24 2HB LYS 24 239.442 -7.394 4.295
204 HG2 LYS 24 1HG LYS 24 240.081 -6.360 1.539
205 HG3 LYS 24 2HG LYS 24 238.533 -7.030 2.052
206 HD2 LYS 24 1HD LYS 24 238.256 -5.242 3.660
207 HD3 LYS 24 2HD LYS 24 239.854 -4.604 3.265
208 HE2 LYS 24 1HE LYS 24 238.113 -3.312 2.166
209 HE3 LYS 24 2HE LYS 24 239.113 -4.153 0.983
210 HZ1 LYS 24 1HZ LYS 24 236.448 -5.052 1.926
211 HZ2 LYS 24 2HZ LYS 24 237.399 -5.829 0.765
212 HZ3 LYS 24 3HZ LYS 24 236.761 -4.294 0.446
213 H LYS 25 H LYS 25 242.989 -8.619 3.716
214 HA LYS 25 HA LYS 25 242.737 -9.791 6.264
215 HB2 LYS 25 1HB LYS 25 244.935 -10.001 4.202
216 HB3 LYS 25 2HB LYS 25 244.852 -10.999 5.646
217 HG2 LYS 25 1HG LYS 25 242.731 -11.924 4.900
218 HG3 LYS 25 2HG LYS 25 242.785 -10.908 3.459
219 HD2 LYS 25 1HD LYS 25 244.791 -12.027 2.703
220 HD3 LYS 25 2HD LYS 25 244.855 -12.976 4.190
221 HE2 LYS 25 1HE LYS 25 242.644 -13.076 2.138
222 HE3 LYS 25 2HE LYS 25 243.939 -14.260 2.304
223 HZ1 LYS 25 1HZ LYS 25 243.133 -14.723 4.560
224 HZ2 LYS 25 2HZ LYS 25 241.964 -15.052 3.387
225 HZ3 LYS 25 3HZ LYS 25 241.849 -13.650 4.321
226 H CYS 26 H CYS 26 245.208 -7.637 4.928
227 HA CYS 26 HA CYS 26 246.618 -7.686 7.481
228 HB2 CYS 26 1HB CYS 26 247.494 -6.479 4.852
229 HB3 CYS 26 2HB CYS 26 248.501 -6.789 6.263
230 H LYS 27 H LYS 27 244.395 -5.770 5.878
231 HA LYS 27 HA LYS 27 243.563 -3.695 6.131
232 HB2 LYS 27 1HB LYS 27 244.993 -3.865 8.782
233 HB3 LYS 27 2HB LYS 27 243.883 -2.573 8.343
234 HG2 LYS 27 1HG LYS 27 242.123 -4.304 7.986
235 HG3 LYS 27 2HG LYS 27 243.246 -5.501 8.631
236 HD2 LYS 27 1HD LYS 27 243.333 -4.323 10.744
237 HD3 LYS 27 2HD LYS 27 242.306 -3.040 10.100
238 HE2 LYS 27 1HE LYS 27 241.520 -5.930 10.461
239 HE3 LYS 27 2HE LYS 27 241.025 -4.589 11.490
240 HZ1 LYS 27 1HZ LYS 27 239.919 -3.600 9.559
241 HZ2 LYS 27 2HZ LYS 27 239.296 -5.126 9.924
242 HZ3 LYS 27 3HZ LYS 27 240.349 -4.937 8.617
243 H LYS 28 H LYS 28 246.244 -4.129 4.961
244 HA LYS 28 HA LYS 28 247.422 -1.474 5.313
245 HB2 LYS 28 1HB LYS 28 248.451 -3.993 4.007
246 HB3 LYS 28 2HB LYS 28 249.248 -2.440 3.816
247 HG2 LYS 28 1HG LYS 28 249.618 -2.311 6.215
248 HG3 LYS 28 2HG LYS 28 248.773 -3.845 6.438
249 HD2 LYS 28 1HD LYS 28 250.453 -5.030 5.224
250 HD3 LYS 28 2HD LYS 28 251.224 -3.529 4.715
251 HE2 LYS 28 1HE LYS 28 252.492 -4.562 6.508
252 HE3 LYS 28 2HE LYS 28 251.792 -3.040 7.054
253 HZ1 LYS 28 1HZ LYS 28 250.693 -5.739 7.621
254 HZ2 LYS 28 2HZ LYS 28 250.046 -4.275 8.164
255 HZ3 LYS 28 3HZ LYS 28 251.561 -4.781 8.709
256 H VAL 29 H VAL 29 247.340 0.029 3.731
257 HA VAL 29 HA VAL 29 245.478 -0.501 1.582
258 HB VAL 29 HB VAL 29 245.743 1.944 1.087
259 HG11 VAL 29 1HG1 VAL 29 244.879 1.091 3.842
260 HG12 VAL 29 2HG1 VAL 29 243.885 1.177 2.389
261 HG13 VAL 29 3HG1 VAL 29 244.504 2.657 3.122
262 HG21 VAL 29 1HG2 VAL 29 247.341 1.918 3.644
263 HG22 VAL 29 2HG2 VAL 29 246.814 3.353 2.765
264 HG23 VAL 29 3HG2 VAL 29 247.978 2.248 2.033
265 H ILE 30 H ILE 30 245.879 -0.193 -0.603
266 HA ILE 30 HA ILE 30 248.694 -0.183 -1.430
267 HB ILE 30 HB ILE 30 248.083 -2.135 -2.991
268 HG12 ILE 30 1HG1 ILE 30 245.935 -2.459 -0.884
269 HG13 ILE 30 2HG1 ILE 30 245.658 -2.066 -2.573
270 HG21 ILE 30 1HG2 ILE 30 248.339 -2.622 -0.024
271 HG22 ILE 30 2HG2 ILE 30 249.666 -2.333 -1.150
272 HG23 ILE 30 3HG2 ILE 30 248.691 -3.796 -1.292
273 HD11 ILE 30 1HD1 ILE 30 245.207 -4.422 -1.986
274 HD12 ILE 30 2HD1 ILE 30 246.921 -4.618 -1.611
275 HD13 ILE 30 3HD1 ILE 30 246.413 -4.224 -3.253
276 H CYS 31 H CYS 31 249.036 0.545 -3.519
277 HA CYS 31 HA CYS 31 246.788 1.866 -4.795
278 HB2 CYS 31 1HB CYS 31 248.376 2.960 -6.202
279 HB3 CYS 31 2HB CYS 31 249.100 2.933 -4.602
280 H ARG 32 H ARG 32 246.056 1.359 -6.885
281 HA ARG 32 HA ARG 32 246.027 -1.447 -7.374
282 HB2 ARG 32 1HB ARG 32 244.858 0.827 -8.982
283 HB3 ARG 32 2HB ARG 32 244.525 -0.879 -9.255
284 HG2 ARG 32 1HG ARG 32 243.615 -1.026 -6.960
285 HG3 ARG 32 2HG ARG 32 243.853 0.712 -6.790
286 HD2 ARG 32 1HD ARG 32 242.086 -0.656 -8.814
287 HD3 ARG 32 2HD ARG 32 241.547 0.191 -7.368
288 HE ARG 32 HE ARG 32 243.081 1.686 -9.364
289 HH11 ARG 32 1HH1 ARG 32 240.012 1.031 -7.799
290 HH12 ARG 32 2HH1 ARG 32 239.241 2.449 -8.434
291 HH21 ARG 32 1HH2 ARG 32 242.068 3.557 -10.190
292 HH22 ARG 32 2HH2 ARG 32 240.412 3.888 -9.791
293 H GLU 33 H GLU 33 248.143 0.965 -8.306
294 HA GLU 33 HA GLU 33 249.021 -0.243 -10.764
295 HB2 GLU 33 1HB GLU 33 249.326 2.185 -10.200
296 HB3 GLU 33 2HB GLU 33 250.488 1.706 -8.972
297 HG2 GLU 33 1HG GLU 33 251.669 2.414 -10.921
298 HG3 GLU 33 2HG GLU 33 251.863 0.671 -10.745
299 H HIS 34 H HIS 34 249.536 -0.649 -7.391
300 HA HIS 34 HA HIS 34 251.842 -2.404 -7.827
301 HB2 HIS 34 1HB HIS 34 250.742 -0.953 -5.476
302 HB3 HIS 34 2HB HIS 34 251.461 -2.526 -5.155
303 HD2 HIS 34 HD2 HIS 34 253.911 -2.099 -7.408
304 HE1 HIS 34 HE1 HIS 34 255.015 0.921 -4.668
305 HE2 HIS 34 HE2 HIS 34 255.755 -0.433 -6.679
306 H ASN 35 H ASN 35 248.856 -2.481 -5.912
307 HA ASN 35 HA ASN 35 248.444 -5.282 -6.709
308 HB2 ASN 35 1HB ASN 35 248.568 -4.154 -3.920
309 HB3 ASN 35 2HB ASN 35 247.529 -5.527 -4.263
310 HD21 ASN 35 1HD2 ASN 35 250.545 -5.185 -5.968
311 HD22 ASN 35 2HD2 ASN 35 251.380 -6.443 -5.124
312 H ILE 36 H ILE 36 246.421 -5.608 -7.404
313 HA ILE 36 HA ILE 36 244.616 -3.407 -7.555
314 HB ILE 36 HB ILE 36 244.795 -5.068 -9.360
315 HG12 ILE 36 1HG1 ILE 36 242.339 -5.438 -9.714
316 HG13 ILE 36 2HG1 ILE 36 242.068 -4.853 -8.076
317 HG21 ILE 36 1HG2 ILE 36 243.755 -7.276 -9.134
318 HG22 ILE 36 2HG2 ILE 36 243.486 -6.966 -7.420
319 HG23 ILE 36 3HG2 ILE 36 245.129 -7.078 -8.048
320 HD11 ILE 36 1HD1 ILE 36 241.652 -3.119 -9.727
321 HD12 ILE 36 2HD1 ILE 36 243.305 -3.279 -10.322
322 HD13 ILE 36 3HD1 ILE 36 243.009 -2.692 -8.685
323 H ASP 37 H ASP 37 244.816 -6.287 -5.580
324 HA ASP 37 HA ASP 37 243.336 -5.244 -3.450
325 HB2 ASP 37 1HB ASP 37 241.390 -5.553 -4.962
326 HB3 ASP 37 2HB ASP 37 241.789 -7.262 -5.104
327 H MET 38 H MET 38 243.628 -6.481 -1.667
328 HA MET 38 HA MET 38 244.614 -7.989 -0.301
329 HB2 MET 38 1HB MET 38 243.092 -9.628 -1.352
330 HB3 MET 38 2HB MET 38 244.300 -9.936 -2.593
331 HG2 MET 38 1HG MET 38 245.824 -10.836 -0.967
332 HG3 MET 38 2HG MET 38 244.741 -10.395 0.350
333 HE1 MET 38 1HE MET 38 243.828 -11.973 -3.161
334 HE2 MET 38 2HE MET 38 243.857 -13.690 -2.759
335 HE3 MET 38 3HE MET 38 245.347 -12.747 -2.713
336 H CYS 39 H CYS 39 246.631 -7.758 0.232
337 HA CYS 39 HA CYS 39 248.607 -7.264 -1.798
338 HB2 CYS 39 1HB CYS 39 249.888 -6.303 -0.131
339 HB3 CYS 39 2HB CYS 39 248.271 -6.067 0.506
340 H GLN 40 H GLN 40 250.900 -8.271 -1.332
341 HA GLN 40 HA GLN 40 250.459 -11.174 -1.155
342 HB2 GLN 40 1HB GLN 40 252.540 -11.440 -2.401
343 HB3 GLN 40 2HB GLN 40 251.421 -10.401 -3.270
344 HG2 GLN 40 1HG GLN 40 252.646 -8.448 -2.630
345 HG3 GLN 40 2HG GLN 40 253.689 -9.396 -1.574
346 HE21 GLN 40 1HE2 GLN 40 252.654 -10.508 -4.714
347 HE22 GLN 40 2HE2 GLN 40 254.198 -10.384 -5.482
348 H SER 41 H SER 41 251.194 -8.862 0.861
349 HA SER 41 HA SER 41 253.262 -10.396 2.286
350 HB2 SER 41 1HB SER 41 253.801 -8.003 1.692
351 HB3 SER 41 2HB SER 41 252.463 -7.504 2.722
352 HG SER 41 HG SER 41 254.690 -9.039 3.594
353 H CYS 42 H CYS 42 250.951 -11.572 2.453
354 HA CYS 42 HA CYS 42 249.385 -10.502 4.664
355 HB2 CYS 42 1HB CYS 42 248.913 -12.980 2.999
356 HB3 CYS 42 2HB CYS 42 247.769 -12.223 4.105
357 H PHE 43 H PHE 43 248.457 -13.110 5.517
358 HA PHE 43 HA PHE 43 250.582 -13.612 7.435
359 HB2 PHE 43 1HB PHE 43 247.776 -14.740 7.373
360 HB3 PHE 43 2HB PHE 43 248.887 -14.729 8.739
361 HD1 PHE 43 HD1 PHE 43 249.511 -12.522 9.774
362 HD2 PHE 43 HD2 PHE 43 246.354 -12.926 6.948
363 HE1 PHE 43 HE1 PHE 43 248.587 -10.363 10.501
364 HE2 PHE 43 HE2 PHE 43 245.425 -10.769 7.672
365 HZ PHE 43 HZ PHE 43 246.543 -9.483 9.449
Start of MODEL 16
1 H1 VAL 1 1H VAL 1 247.816 4.916 15.776
2 H2 VAL 1 2H VAL 1 247.114 3.803 16.835
3 H3 VAL 1 3H VAL 1 246.369 5.296 16.565
4 HA VAL 1 HA VAL 1 246.735 3.137 14.573
5 HB VAL 1 HB VAL 1 244.290 2.940 14.608
6 HG11 VAL 1 1HG1 VAL 1 245.575 1.442 16.020
7 HG12 VAL 1 2HG1 VAL 1 244.054 1.863 16.807
8 HG13 VAL 1 3HG1 VAL 1 245.556 2.625 17.328
9 HG21 VAL 1 1HG2 VAL 1 242.986 4.016 16.402
10 HG22 VAL 1 2HG2 VAL 1 243.698 5.188 15.291
11 HG23 VAL 1 3HG2 VAL 1 244.422 4.923 16.876
12 H MET 2 H MET 2 246.789 6.417 14.955
13 HA MET 2 HA MET 2 245.137 7.098 12.681
14 HB2 MET 2 1HB MET 2 246.995 8.770 14.377
15 HB3 MET 2 2HB MET 2 246.011 9.407 13.069
16 HG2 MET 2 1HG MET 2 244.975 8.077 15.561
17 HG3 MET 2 2HG MET 2 244.999 9.808 15.247
18 HE1 MET 2 1HE MET 2 242.408 9.933 15.825
19 HE2 MET 2 2HE MET 2 242.398 8.196 16.134
20 HE3 MET 2 3HE MET 2 241.188 8.908 15.067
21 H LYS 3 H LYS 3 245.782 7.134 10.656
22 HA LYS 3 HA LYS 3 248.527 7.714 9.951
23 HB2 LYS 3 1HB LYS 3 248.734 5.346 10.251
24 HB3 LYS 3 2HB LYS 3 247.232 5.043 9.392
25 HG2 LYS 3 1HG LYS 3 249.133 4.449 8.020
26 HG3 LYS 3 2HG LYS 3 248.269 5.816 7.314
27 HD2 LYS 3 1HD LYS 3 249.932 7.346 8.267
28 HD3 LYS 3 2HD LYS 3 250.800 5.972 8.949
29 HE2 LYS 3 1HE LYS 3 250.327 6.520 6.021
30 HE3 LYS 3 2HE LYS 3 251.851 6.708 6.884
31 HZ1 LYS 3 1HZ LYS 3 251.818 4.645 5.666
32 HZ2 LYS 3 2HZ LYS 3 250.399 4.157 6.440
33 HZ3 LYS 3 3HZ LYS 3 251.831 4.317 7.326
34 H LYS 4 H LYS 4 248.512 8.962 8.198
35 HA LYS 4 HA LYS 4 246.223 9.528 6.681
36 HB2 LYS 4 1HB LYS 4 248.186 11.029 6.801
37 HB3 LYS 4 2HB LYS 4 249.132 9.849 5.905
38 HG2 LYS 4 1HG LYS 4 248.459 11.570 4.400
39 HG3 LYS 4 2HG LYS 4 247.556 10.110 4.004
40 HD2 LYS 4 1HD LYS 4 246.026 11.930 3.911
41 HD3 LYS 4 2HD LYS 4 245.661 11.024 5.377
42 HE2 LYS 4 1HE LYS 4 245.596 13.373 5.878
43 HE3 LYS 4 2HE LYS 4 247.004 12.663 6.666
44 HZ1 LYS 4 1HZ LYS 4 247.555 14.762 5.625
45 HZ2 LYS 4 2HZ LYS 4 247.028 14.197 4.122
46 HZ3 LYS 4 3HZ LYS 4 248.383 13.502 4.857
47 H ARG 5 H ARG 5 245.186 8.090 5.483
48 HA ARG 5 HA ARG 5 246.719 5.925 4.232
49 HB2 ARG 5 1HB ARG 5 243.797 6.137 4.957
50 HB3 ARG 5 2HB ARG 5 244.500 4.780 4.095
51 HG2 ARG 5 1HG ARG 5 245.918 4.265 5.977
52 HG3 ARG 5 2HG ARG 5 245.328 5.685 6.839
53 HD2 ARG 5 1HD ARG 5 243.097 4.744 6.919
54 HD3 ARG 5 2HD ARG 5 243.623 3.356 5.966
55 HE ARG 5 HE ARG 5 245.283 3.217 8.049
56 HH11 ARG 5 1HH1 ARG 5 241.813 3.676 7.920
57 HH12 ARG 5 2HH1 ARG 5 241.527 2.910 9.447
58 HH21 ARG 5 1HH2 ARG 5 244.914 2.204 10.056
59 HH22 ARG 5 2HH2 ARG 5 243.297 2.078 10.667
60 H THR 6 H THR 6 246.946 8.245 2.899
61 HA THR 6 HA THR 6 244.981 8.210 0.732
62 HB THR 6 HB THR 6 247.239 10.157 1.243
63 HG1 THR 6 HG1 THR 6 244.798 9.888 2.384
64 HG21 THR 6 1HG2 THR 6 246.075 11.589 -0.367
65 HG22 THR 6 2HG2 THR 6 244.877 10.322 -0.634
66 HG23 THR 6 3HG2 THR 6 246.555 10.062 -1.110
67 H TYR 7 H TYR 7 248.383 7.702 1.392
68 HA TYR 7 HA TYR 7 248.831 7.035 -1.426
69 HB2 TYR 7 1HB TYR 7 250.776 7.827 0.743
70 HB3 TYR 7 2HB TYR 7 251.256 7.303 -0.867
71 HD1 TYR 7 HD1 TYR 7 250.215 8.636 -2.847
72 HD2 TYR 7 HD2 TYR 7 250.432 10.090 1.142
73 HE1 TYR 7 HE1 TYR 7 250.012 10.934 -3.681
74 HE2 TYR 7 HE2 TYR 7 250.224 12.396 0.321
75 HH TYR 7 HH TYR 7 250.664 13.648 -1.770
76 H CYS 8 H CYS 8 249.900 5.196 -1.999
77 HA CYS 8 HA CYS 8 249.207 2.861 -0.611
78 HB2 CYS 8 1HB CYS 8 249.452 2.800 -2.967
79 HB3 CYS 8 2HB CYS 8 251.088 3.425 -2.893
80 H THR 9 H THR 9 250.169 1.724 0.917
81 HA THR 9 HA THR 9 252.426 2.794 2.280
82 HB THR 9 HB THR 9 251.059 0.129 2.689
83 HG1 THR 9 HG1 THR 9 250.296 2.736 3.223
84 HG21 THR 9 1HG2 THR 9 251.854 0.389 5.015
85 HG22 THR 9 2HG2 THR 9 252.741 1.834 4.529
86 HG23 THR 9 3HG2 THR 9 253.178 0.262 3.859
87 H TYR 10 H TYR 10 252.006 0.340 -0.147
88 HA TYR 10 HA TYR 10 254.621 -0.819 0.293
89 HB2 TYR 10 1HB TYR 10 252.387 -1.345 -1.625
90 HB3 TYR 10 2HB TYR 10 253.998 -1.963 -1.979
91 HD1 TYR 10 HD1 TYR 10 254.648 -3.997 -1.112
92 HD2 TYR 10 HD2 TYR 10 251.463 -1.887 0.751
93 HE1 TYR 10 HE1 TYR 10 254.285 -5.897 0.401
94 HE2 TYR 10 HE2 TYR 10 251.084 -3.780 2.263
95 HH TYR 10 HH TYR 10 253.304 -6.304 2.644
96 H CYS 11 H CYS 11 253.314 1.791 -1.411
97 HA CYS 11 HA CYS 11 255.611 1.977 -3.199
98 HB2 CYS 11 1HB CYS 11 253.004 3.439 -2.985
99 HB3 CYS 11 2HB CYS 11 254.350 4.173 -3.843
100 HA PRO 12 HA PRO 12 257.894 4.458 -0.293
101 HB2 PRO 12 1HB PRO 12 259.015 5.677 -2.754
102 HB3 PRO 12 2HB PRO 12 259.849 4.921 -1.397
103 HG2 PRO 12 1HG PRO 12 259.625 3.688 -3.766
104 HG3 PRO 12 2HG PRO 12 259.576 2.790 -2.237
105 HD2 PRO 12 1HD PRO 12 257.355 3.519 -4.084
106 HD3 PRO 12 2HD PRO 12 257.565 2.072 -3.077
107 H SER 13 H SER 13 257.707 6.462 0.552
108 HA SER 13 HA SER 13 255.341 7.831 0.009
109 HB2 SER 13 1HB SER 13 256.476 7.749 2.218
110 HB3 SER 13 2HB SER 13 257.718 8.833 1.593
111 HG SER 13 HG SER 13 254.980 9.356 2.064
112 H LYS 14 H LYS 14 258.569 8.365 -1.215
113 HA LYS 14 HA LYS 14 257.935 11.021 -2.156
114 HB2 LYS 14 1HB LYS 14 260.371 9.290 -2.561
115 HB3 LYS 14 2HB LYS 14 260.209 10.927 -3.182
116 HG2 LYS 14 1HG LYS 14 260.185 10.102 -0.288
117 HG3 LYS 14 2HG LYS 14 261.485 10.945 -1.136
118 HD2 LYS 14 1HD LYS 14 259.988 12.837 -1.543
119 HD3 LYS 14 2HD LYS 14 258.690 11.994 -0.700
120 HE2 LYS 14 1HE LYS 14 260.094 11.973 1.339
121 HE3 LYS 14 2HE LYS 14 261.292 12.940 0.481
122 HZ1 LYS 14 1HZ LYS 14 259.822 14.303 1.846
123 HZ2 LYS 14 2HZ LYS 14 258.477 13.753 0.978
124 HZ3 LYS 14 3HZ LYS 14 259.660 14.683 0.208
125 H ILE 15 H ILE 15 257.144 8.011 -3.242
126 HA ILE 15 HA ILE 15 257.245 8.700 -6.062
127 HB ILE 15 HB ILE 15 255.893 6.363 -4.696
128 HG12 ILE 15 1HG1 ILE 15 258.310 6.295 -4.406
129 HG13 ILE 15 2HG1 ILE 15 257.804 5.046 -5.536
130 HG21 ILE 15 1HG2 ILE 15 255.784 5.351 -6.914
131 HG22 ILE 15 2HG2 ILE 15 256.468 6.813 -7.620
132 HG23 ILE 15 3HG2 ILE 15 254.879 6.864 -6.857
133 HD11 ILE 15 1HD1 ILE 15 259.075 7.683 -6.227
134 HD12 ILE 15 2HD1 ILE 15 258.505 6.493 -7.396
135 HD13 ILE 15 3HD1 ILE 15 259.830 6.092 -6.302
136 H ARG 16 H ARG 16 255.133 8.890 -3.369
137 HA ARG 16 HA ARG 16 253.069 9.727 -2.999
138 HB2 ARG 16 1HB ARG 16 253.838 11.327 -5.435
139 HB3 ARG 16 2HB ARG 16 252.381 11.640 -4.497
140 HG2 ARG 16 1HG ARG 16 253.772 12.015 -2.503
141 HG3 ARG 16 2HG ARG 16 255.216 11.767 -3.486
142 HD2 ARG 16 1HD ARG 16 254.622 13.682 -4.866
143 HD3 ARG 16 2HD ARG 16 253.144 13.913 -3.933
144 HE ARG 16 HE ARG 16 255.391 13.947 -2.219
145 HH11 ARG 16 1HH1 ARG 16 253.800 15.909 -4.645
146 HH12 ARG 16 2HH1 ARG 16 254.345 17.409 -3.971
147 HH21 ARG 16 1HH2 ARG 16 256.122 15.908 -1.336
148 HH22 ARG 16 2HH2 ARG 16 255.668 17.411 -2.079
149 H ARG 17 H ARG 17 253.058 7.297 -4.270
150 HA ARG 17 HA ARG 17 251.082 7.365 -6.383
151 HB2 ARG 17 1HB ARG 17 253.002 5.718 -6.293
152 HB3 ARG 17 2HB ARG 17 252.205 4.968 -4.921
153 HG2 ARG 17 1HG ARG 17 251.748 3.711 -6.917
154 HG3 ARG 17 2HG ARG 17 250.262 4.473 -6.346
155 HD2 ARG 17 1HD ARG 17 250.654 4.580 -8.831
156 HD3 ARG 17 2HD ARG 17 250.352 6.125 -8.046
157 HE ARG 17 HE ARG 17 252.777 6.512 -8.152
158 HH11 ARG 17 1HH1 ARG 17 251.393 4.118 -10.300
159 HH12 ARG 17 2HH1 ARG 17 252.655 4.269 -11.477
160 HH21 ARG 17 1HH2 ARG 17 254.424 6.716 -9.712
161 HH22 ARG 17 2HH2 ARG 17 254.375 5.738 -11.144
162 H LYS 18 H LYS 18 248.958 7.376 -5.994
163 HA LYS 18 HA LYS 18 248.041 7.466 -3.294
164 HB2 LYS 18 1HB LYS 18 246.535 7.547 -5.911
165 HB3 LYS 18 2HB LYS 18 245.771 7.731 -4.342
166 HG2 LYS 18 1HG LYS 18 246.043 9.907 -5.171
167 HG3 LYS 18 2HG LYS 18 247.324 9.704 -3.975
168 HD2 LYS 18 1HD LYS 18 248.946 9.312 -5.711
169 HD3 LYS 18 2HD LYS 18 247.686 9.328 -6.944
170 HE2 LYS 18 1HE LYS 18 247.221 11.672 -6.433
171 HE3 LYS 18 2HE LYS 18 248.474 11.652 -5.194
172 HZ1 LYS 18 1HZ LYS 18 248.909 11.190 -8.093
173 HZ2 LYS 18 2HZ LYS 18 250.112 11.185 -6.905
174 HZ3 LYS 18 3HZ LYS 18 249.279 12.614 -7.259
175 H ALA 19 H ALA 19 246.728 6.074 -2.192
176 HA ALA 19 HA ALA 19 246.677 3.325 -3.170
177 HB1 ALA 19 1HB ALA 19 247.467 3.857 -0.865
178 HB2 ALA 19 2HB ALA 19 246.151 2.688 -0.932
179 HB3 ALA 19 3HB ALA 19 245.823 4.360 -0.474
180 H ASN 20 H ASN 20 244.878 2.379 -3.924
181 HA ASN 20 HA ASN 20 242.361 3.876 -3.654
182 HB2 ASN 20 1HB ASN 20 243.303 2.037 -5.854
183 HB3 ASN 20 2HB ASN 20 241.626 2.530 -5.686
184 HD21 ASN 20 1HD2 ASN 20 244.486 4.529 -5.108
185 HD22 ASN 20 2HD2 ASN 20 244.180 5.642 -6.395
186 H ALA 21 H ALA 21 243.977 1.051 -2.780
187 HA ALA 21 HA ALA 21 241.449 -0.143 -1.880
188 HB1 ALA 21 1HB ALA 21 242.216 -1.442 -3.779
189 HB2 ALA 21 2HB ALA 21 242.403 -2.380 -2.296
190 HB3 ALA 21 3HB ALA 21 243.807 -1.620 -3.044
191 H SER 22 H SER 22 241.762 -1.609 -0.016
192 HA SER 22 HA SER 22 244.174 -1.009 1.537
193 HB2 SER 22 1HB SER 22 241.388 -0.946 2.705
194 HB3 SER 22 2HB SER 22 242.897 -0.532 3.518
195 HG SER 22 HG SER 22 242.036 0.845 1.206
196 H CYS 23 H CYS 23 244.991 -2.714 2.592
197 HA CYS 23 HA CYS 23 243.752 -5.298 2.293
198 HB2 CYS 23 1HB CYS 23 246.199 -4.974 2.158
199 HB3 CYS 23 2HB CYS 23 246.213 -4.448 3.836
200 H LYS 24 H LYS 24 242.203 -5.990 3.617
201 HA LYS 24 HA LYS 24 241.348 -4.352 5.772
202 HB2 LYS 24 1HB LYS 24 240.407 -7.074 4.862
203 HB3 LYS 24 2HB LYS 24 239.625 -6.141 6.127
204 HG2 LYS 24 1HG LYS 24 238.347 -5.774 4.198
205 HG3 LYS 24 2HG LYS 24 239.317 -4.314 4.391
206 HD2 LYS 24 1HD LYS 24 240.872 -5.091 2.700
207 HD3 LYS 24 2HD LYS 24 239.990 -6.611 2.550
208 HE2 LYS 24 1HE LYS 24 239.418 -5.114 0.729
209 HE3 LYS 24 2HE LYS 24 238.021 -5.374 1.771
210 HZ1 LYS 24 1HZ LYS 24 238.404 -3.244 2.800
211 HZ2 LYS 24 2HZ LYS 24 238.294 -3.045 1.123
212 HZ3 LYS 24 3HZ LYS 24 239.804 -3.001 1.880
213 H LYS 25 H LYS 25 243.277 -7.222 5.558
214 HA LYS 25 HA LYS 25 242.844 -8.165 8.190
215 HB2 LYS 25 1HB LYS 25 243.724 -9.533 6.292
216 HB3 LYS 25 2HB LYS 25 245.251 -8.674 6.439
217 HG2 LYS 25 1HG LYS 25 245.500 -9.510 8.725
218 HG3 LYS 25 2HG LYS 25 243.975 -10.381 8.566
219 HD2 LYS 25 1HD LYS 25 244.942 -11.660 6.686
220 HD3 LYS 25 2HD LYS 25 246.478 -10.827 6.941
221 HE2 LYS 25 1HE LYS 25 245.063 -12.606 8.921
222 HE3 LYS 25 2HE LYS 25 246.500 -13.024 7.992
223 HZ1 LYS 25 1HZ LYS 25 246.320 -10.859 10.017
224 HZ2 LYS 25 2HZ LYS 25 247.699 -11.262 9.128
225 HZ3 LYS 25 3HZ LYS 25 247.063 -12.361 10.241
226 H CYS 26 H CYS 26 245.309 -6.016 6.808
227 HA CYS 26 HA CYS 26 246.402 -5.713 9.528
228 HB2 CYS 26 1HB CYS 26 248.563 -5.232 8.533
229 HB3 CYS 26 2HB CYS 26 247.959 -6.774 7.931
230 H LYS 27 H LYS 27 244.699 -4.141 7.123
231 HA LYS 27 HA LYS 27 243.840 -2.063 6.984
232 HB2 LYS 27 1HB LYS 27 245.298 -1.677 9.584
233 HB3 LYS 27 2HB LYS 27 244.389 -0.383 8.817
234 HG2 LYS 27 1HG LYS 27 242.365 -1.784 8.907
235 HG3 LYS 27 2HG LYS 27 243.291 -3.030 9.747
236 HD2 LYS 27 1HD LYS 27 243.703 -1.548 11.596
237 HD3 LYS 27 2HD LYS 27 242.950 -0.204 10.738
238 HE2 LYS 27 1HE LYS 27 241.429 -1.109 12.400
239 HE3 LYS 27 2HE LYS 27 240.805 -1.387 10.777
240 HZ1 LYS 27 1HZ LYS 27 242.238 -3.401 12.422
241 HZ2 LYS 27 2HZ LYS 27 241.566 -3.661 10.892
242 HZ3 LYS 27 3HZ LYS 27 240.561 -3.329 12.210
243 H LYS 28 H LYS 28 246.697 -2.821 6.050
244 HA LYS 28 HA LYS 28 247.790 -0.146 5.685
245 HB2 LYS 28 1HB LYS 28 248.765 -2.796 4.595
246 HB3 LYS 28 2HB LYS 28 249.605 -1.260 4.444
247 HG2 LYS 28 1HG LYS 28 249.674 -1.181 6.960
248 HG3 LYS 28 2HG LYS 28 249.106 -2.851 6.944
249 HD2 LYS 28 1HD LYS 28 251.646 -1.798 5.705
250 HD3 LYS 28 2HD LYS 28 251.522 -2.797 7.151
251 HE2 LYS 28 1HE LYS 28 250.536 -4.596 5.770
252 HE3 LYS 28 2HE LYS 28 250.772 -3.596 4.340
253 HZ1 LYS 28 1HZ LYS 28 252.569 -5.153 4.534
254 HZ2 LYS 28 2HZ LYS 28 252.894 -4.664 6.118
255 HZ3 LYS 28 3HZ LYS 28 253.174 -3.601 4.834
256 H VAL 29 H VAL 29 247.700 1.012 3.813
257 HA VAL 29 HA VAL 29 245.699 0.105 1.904
258 HB VAL 29 HB VAL 29 245.772 2.444 1.045
259 HG11 VAL 29 1HG1 VAL 29 245.255 2.289 4.004
260 HG12 VAL 29 2HG1 VAL 29 244.179 1.622 2.777
261 HG13 VAL 29 3HG1 VAL 29 244.486 3.356 2.827
262 HG21 VAL 29 1HG2 VAL 29 248.062 2.994 1.744
263 HG22 VAL 29 2HG2 VAL 29 247.552 2.938 3.432
264 HG23 VAL 29 3HG2 VAL 29 246.890 4.164 2.350
265 H ILE 30 H ILE 30 245.993 0.161 -0.338
266 HA ILE 30 HA ILE 30 248.772 0.158 -1.259
267 HB ILE 30 HB ILE 30 248.245 -2.000 -2.514
268 HG12 ILE 30 1HG1 ILE 30 245.980 -1.956 -0.518
269 HG13 ILE 30 2HG1 ILE 30 245.885 -2.187 -2.258
270 HG21 ILE 30 1HG2 ILE 30 249.811 -1.887 -0.658
271 HG22 ILE 30 2HG2 ILE 30 248.895 -3.393 -0.605
272 HG23 ILE 30 3HG2 ILE 30 248.486 -2.073 0.491
273 HD11 ILE 30 1HD1 ILE 30 247.126 -4.352 -1.912
274 HD12 ILE 30 2HD1 ILE 30 245.487 -4.287 -1.266
275 HD13 ILE 30 3HD1 ILE 30 246.869 -4.119 -0.184
276 H CYS 31 H CYS 31 249.030 0.335 -3.512
277 HA CYS 31 HA CYS 31 246.978 1.942 -4.771
278 HB2 CYS 31 1HB CYS 31 248.658 2.399 -6.466
279 HB3 CYS 31 2HB CYS 31 249.399 2.555 -4.881
280 H ARG 32 H ARG 32 246.785 1.525 -7.269
281 HA ARG 32 HA ARG 32 245.382 -0.948 -7.451
282 HB2 ARG 32 1HB ARG 32 245.952 1.115 -9.576
283 HB3 ARG 32 2HB ARG 32 244.814 -0.217 -9.729
284 HG2 ARG 32 1HG ARG 32 243.548 0.704 -7.816
285 HG3 ARG 32 2HG ARG 32 244.647 2.083 -7.800
286 HD2 ARG 32 1HD ARG 32 242.663 2.695 -8.998
287 HD3 ARG 32 2HD ARG 32 243.998 2.566 -10.141
288 HE ARG 32 HE ARG 32 242.872 0.117 -10.268
289 HH11 ARG 32 1HH1 ARG 32 241.590 3.358 -10.532
290 HH12 ARG 32 2HH1 ARG 32 240.285 2.900 -11.580
291 HH21 ARG 32 1HH2 ARG 32 241.163 -0.499 -11.659
292 HH22 ARG 32 2HH2 ARG 32 240.038 0.698 -12.216
293 H GLU 33 H GLU 33 248.598 -0.243 -7.861
294 HA GLU 33 HA GLU 33 248.987 -2.475 -9.724
295 HB2 GLU 33 1HB GLU 33 250.908 -0.369 -8.724
296 HB3 GLU 33 2HB GLU 33 251.369 -1.708 -9.766
297 HG2 GLU 33 1HG GLU 33 249.865 -0.897 -11.496
298 HG3 GLU 33 2HG GLU 33 249.369 0.433 -10.451
299 H HIS 34 H HIS 34 248.815 -1.816 -6.473
300 HA HIS 34 HA HIS 34 250.520 -4.130 -5.823
301 HB2 HIS 34 1HB HIS 34 250.205 -1.509 -4.387
302 HB3 HIS 34 2HB HIS 34 250.642 -2.955 -3.488
303 HD2 HIS 34 HD2 HIS 34 252.734 -4.054 -5.895
304 HE1 HIS 34 HE1 HIS 34 254.828 -0.565 -4.723
305 HE2 HIS 34 HE2 HIS 34 255.039 -2.869 -5.780
306 H ASN 35 H ASN 35 247.431 -3.401 -6.216
307 HA ASN 35 HA ASN 35 246.545 -4.491 -3.668
308 HB2 ASN 35 1HB ASN 35 244.222 -3.937 -4.427
309 HB3 ASN 35 2HB ASN 35 245.287 -2.571 -4.176
310 HD21 ASN 35 1HD2 ASN 35 245.490 -4.523 -7.091
311 HD22 ASN 35 2HD2 ASN 35 244.826 -3.318 -8.143
312 H ILE 36 H ILE 36 246.099 -6.479 -3.381
313 HA ILE 36 HA ILE 36 245.148 -8.116 -5.649
314 HB ILE 36 HB ILE 36 246.248 -9.252 -3.082
315 HG12 ILE 36 1HG1 ILE 36 247.934 -8.622 -5.516
316 HG13 ILE 36 2HG1 ILE 36 247.931 -7.652 -4.045
317 HG21 ILE 36 1HG2 ILE 36 246.152 -10.302 -5.907
318 HG22 ILE 36 2HG2 ILE 36 245.080 -10.765 -4.586
319 HG23 ILE 36 3HG2 ILE 36 246.796 -11.165 -4.511
320 HD11 ILE 36 1HD1 ILE 36 249.828 -9.163 -4.098
321 HD12 ILE 36 2HD1 ILE 36 248.742 -10.544 -4.252
322 HD13 ILE 36 3HD1 ILE 36 248.735 -9.577 -2.777
323 H ASP 37 H ASP 37 243.648 -6.258 -3.910
324 HA ASP 37 HA ASP 37 242.122 -6.022 -2.233
325 HB2 ASP 37 1HB ASP 37 241.385 -8.784 -3.227
326 HB3 ASP 37 2HB ASP 37 240.452 -7.928 -2.005
327 H MET 38 H MET 38 244.686 -6.866 -1.628
328 HA MET 38 HA MET 38 244.716 -7.796 0.991
329 HB2 MET 38 1HB MET 38 243.898 -9.904 -0.184
330 HB3 MET 38 2HB MET 38 245.424 -9.930 -1.051
331 HG2 MET 38 1HG MET 38 245.444 -11.486 0.803
332 HG3 MET 38 2HG MET 38 246.625 -10.198 1.049
333 HE1 MET 38 1HE MET 38 246.051 -11.910 3.455
334 HE2 MET 38 2HE MET 38 244.446 -12.386 2.900
335 HE3 MET 38 3HE MET 38 244.634 -11.552 4.442
336 H CYS 39 H CYS 39 246.880 -7.503 1.729
337 HA CYS 39 HA CYS 39 248.619 -6.396 -0.326
338 HB2 CYS 39 1HB CYS 39 249.792 -5.273 1.334
339 HB3 CYS 39 2HB CYS 39 248.165 -5.310 1.999
340 H GLN 40 H GLN 40 250.922 -6.954 -0.365
341 HA GLN 40 HA GLN 40 251.311 -9.622 -0.913
342 HB2 GLN 40 1HB GLN 40 252.772 -7.828 -1.712
343 HB3 GLN 40 2HB GLN 40 253.391 -7.595 -0.085
344 HG2 GLN 40 1HG GLN 40 254.280 -9.889 -0.128
345 HG3 GLN 40 2HG GLN 40 253.730 -10.042 -1.796
346 HE21 GLN 40 1HE2 GLN 40 256.422 -10.189 -0.685
347 HE22 GLN 40 2HE2 GLN 40 257.345 -8.992 -1.526
348 H SER 41 H SER 41 251.995 -7.922 2.124
349 HA SER 41 HA SER 41 253.464 -10.029 3.303
350 HB2 SER 41 1HB SER 41 252.002 -7.737 4.621
351 HB3 SER 41 2HB SER 41 253.207 -8.763 5.398
352 HG SER 41 HG SER 41 254.770 -7.935 4.078
353 H CYS 42 H CYS 42 250.027 -9.430 3.090
354 HA CYS 42 HA CYS 42 249.520 -11.510 5.096
355 HB2 CYS 42 1HB CYS 42 247.556 -9.721 3.650
356 HB3 CYS 42 2HB CYS 42 247.145 -10.885 4.899
357 H PHE 43 H PHE 43 249.890 -11.169 1.776
358 HA PHE 43 HA PHE 43 247.940 -13.146 0.982
359 HB2 PHE 43 1HB PHE 43 248.610 -11.175 -0.443
360 HB3 PHE 43 2HB PHE 43 250.173 -11.951 -0.670
361 HD1 PHE 43 HD1 PHE 43 250.436 -13.787 -2.170
362 HD2 PHE 43 HD2 PHE 43 246.577 -12.180 -1.377
363 HE1 PHE 43 HE1 PHE 43 249.522 -15.048 -4.074
364 HE2 PHE 43 HE2 PHE 43 245.656 -13.441 -3.278
365 HZ PHE 43 HZ PHE 43 247.130 -14.876 -4.629
Start of MODEL 17
1 H1 VAL 1 1H VAL 1 248.442 16.545 8.944
2 H2 VAL 1 2H VAL 1 247.418 16.771 10.268
3 H3 VAL 1 3H VAL 1 246.951 17.317 8.739
4 HA VAL 1 HA VAL 1 245.795 15.293 9.357
5 HB VAL 1 HB VAL 1 246.216 15.765 6.981
6 HG11 VAL 1 1HG1 VAL 1 248.721 14.126 7.321
7 HG12 VAL 1 2HG1 VAL 1 248.647 15.862 7.024
8 HG13 VAL 1 3HG1 VAL 1 248.081 14.732 5.795
9 HG21 VAL 1 1HG2 VAL 1 246.504 12.846 7.682
10 HG22 VAL 1 2HG2 VAL 1 246.002 13.475 6.114
11 HG23 VAL 1 3HG2 VAL 1 244.994 13.745 7.535
12 H MET 2 H MET 2 245.827 13.336 10.335
13 HA MET 2 HA MET 2 248.465 12.127 10.874
14 HB2 MET 2 1HB MET 2 246.010 12.160 12.646
15 HB3 MET 2 2HB MET 2 247.423 11.165 12.949
16 HG2 MET 2 1HG MET 2 247.611 13.039 14.352
17 HG3 MET 2 2HG MET 2 248.768 13.282 13.048
18 HE1 MET 2 1HE MET 2 244.842 13.793 12.897
19 HE2 MET 2 2HE MET 2 244.725 15.485 13.380
20 HE3 MET 2 3HE MET 2 245.297 14.277 14.531
21 H LYS 3 H LYS 3 247.547 11.371 8.611
22 HA LYS 3 HA LYS 3 246.234 8.780 9.057
23 HB2 LYS 3 1HB LYS 3 245.684 10.698 6.780
24 HB3 LYS 3 2HB LYS 3 245.038 9.070 6.909
25 HG2 LYS 3 1HG LYS 3 244.511 11.246 8.918
26 HG3 LYS 3 2HG LYS 3 243.451 10.881 7.557
27 HD2 LYS 3 1HD LYS 3 244.223 8.939 9.735
28 HD3 LYS 3 2HD LYS 3 242.702 9.830 9.661
29 HE2 LYS 3 1HE LYS 3 243.697 7.818 7.645
30 HE3 LYS 3 2HE LYS 3 242.414 7.563 8.824
31 HZ1 LYS 3 1HZ LYS 3 242.341 9.574 6.641
32 HZ2 LYS 3 2HZ LYS 3 241.099 9.249 7.738
33 HZ3 LYS 3 3HZ LYS 3 241.556 8.078 6.610
34 H LYS 4 H LYS 4 248.055 7.585 8.881
35 HA LYS 4 HA LYS 4 249.996 8.116 6.822
36 HB2 LYS 4 1HB LYS 4 249.781 5.993 8.950
37 HB3 LYS 4 2HB LYS 4 251.048 5.969 7.734
38 HG2 LYS 4 1HG LYS 4 251.930 6.948 9.717
39 HG3 LYS 4 2HG LYS 4 251.756 8.221 8.511
40 HD2 LYS 4 1HD LYS 4 249.594 8.846 9.582
41 HD3 LYS 4 2HD LYS 4 249.938 7.669 10.850
42 HE2 LYS 4 1HE LYS 4 250.566 9.903 11.568
43 HE3 LYS 4 2HE LYS 4 251.993 8.881 11.410
44 HZ1 LYS 4 1HZ LYS 4 252.487 9.907 9.305
45 HZ2 LYS 4 2HZ LYS 4 252.305 11.112 10.481
46 HZ3 LYS 4 3HZ LYS 4 251.068 10.823 9.368
47 H ARG 5 H ARG 5 247.262 6.055 7.251
48 HA ARG 5 HA ARG 5 248.137 4.243 5.145
49 HB2 ARG 5 1HB ARG 5 245.712 4.165 6.942
50 HB3 ARG 5 2HB ARG 5 246.126 2.931 5.758
51 HG2 ARG 5 1HG ARG 5 248.186 2.453 6.937
52 HG3 ARG 5 2HG ARG 5 247.840 3.733 8.098
53 HD2 ARG 5 1HD ARG 5 245.823 2.527 8.802
54 HD3 ARG 5 2HD ARG 5 246.201 1.243 7.653
55 HE ARG 5 HE ARG 5 248.442 1.361 9.130
56 HH11 ARG 5 1HH1 ARG 5 245.060 1.129 10.016
57 HH12 ARG 5 2HH1 ARG 5 245.382 0.283 11.496
58 HH21 ARG 5 1HH2 ARG 5 248.855 0.242 11.068
59 HH22 ARG 5 2HH2 ARG 5 247.530 -0.236 12.086
60 H THR 6 H THR 6 247.487 6.965 4.466
61 HA THR 6 HA THR 6 245.102 6.645 2.801
62 HB THR 6 HB THR 6 246.922 9.050 3.050
63 HG1 THR 6 HG1 THR 6 244.971 8.052 4.714
64 HG21 THR 6 1HG2 THR 6 245.013 10.288 2.142
65 HG22 THR 6 2HG2 THR 6 244.098 8.784 2.006
66 HG23 THR 6 3HG2 THR 6 245.543 9.030 1.025
67 H TYR 7 H TYR 7 248.512 6.525 2.716
68 HA TYR 7 HA TYR 7 248.538 6.532 -0.219
69 HB2 TYR 7 1HB TYR 7 250.770 7.062 1.755
70 HB3 TYR 7 2HB TYR 7 250.975 6.994 0.008
71 HD1 TYR 7 HD1 TYR 7 250.002 9.036 2.813
72 HD2 TYR 7 HD2 TYR 7 249.789 8.684 -1.419
73 HE1 TYR 7 HE1 TYR 7 249.435 11.421 2.649
74 HE2 TYR 7 HE2 TYR 7 249.232 11.065 -1.596
75 HH TYR 7 HH TYR 7 249.572 13.238 0.987
76 H CYS 8 H CYS 8 249.582 4.903 -1.303
77 HA CYS 8 HA CYS 8 249.151 2.323 -0.411
78 HB2 CYS 8 1HB CYS 8 249.312 2.762 -2.733
79 HB3 CYS 8 2HB CYS 8 250.922 3.440 -2.573
80 H THR 9 H THR 9 250.149 0.989 0.887
81 HA THR 9 HA THR 9 252.455 1.697 2.356
82 HB THR 9 HB THR 9 251.124 -1.004 2.071
83 HG1 THR 9 HG1 THR 9 250.454 0.061 4.346
84 HG21 THR 9 1HG2 THR 9 252.081 -1.424 4.316
85 HG22 THR 9 2HG2 THR 9 252.976 0.089 4.188
86 HG23 THR 9 3HG2 THR 9 253.312 -1.232 3.069
87 H TYR 10 H TYR 10 251.927 -0.303 -0.469
88 HA TYR 10 HA TYR 10 254.523 -1.444 -0.568
89 HB2 TYR 10 1HB TYR 10 252.253 -1.156 -2.494
90 HB3 TYR 10 2HB TYR 10 253.831 -1.635 -3.106
91 HD1 TYR 10 HD1 TYR 10 251.997 -2.583 0.019
92 HD2 TYR 10 HD2 TYR 10 253.732 -3.855 -3.649
93 HE1 TYR 10 HE1 TYR 10 251.531 -4.921 0.616
94 HE2 TYR 10 HE2 TYR 10 253.270 -6.194 -3.065
95 HH TYR 10 HH TYR 10 252.915 -7.544 -1.041
96 H CYS 11 H CYS 11 253.143 1.570 -1.595
97 HA CYS 11 HA CYS 11 255.432 2.353 -3.178
98 HB2 CYS 11 1HB CYS 11 252.880 3.703 -2.344
99 HB3 CYS 11 2HB CYS 11 254.199 4.648 -3.014
100 HA PRO 12 HA PRO 12 257.808 4.052 0.220
101 HB2 PRO 12 1HB PRO 12 258.784 5.993 -1.782
102 HB3 PRO 12 2HB PRO 12 259.696 4.843 -0.802
103 HG2 PRO 12 1HG PRO 12 259.335 4.483 -3.439
104 HG3 PRO 12 2HG PRO 12 259.403 3.122 -2.305
105 HD2 PRO 12 1HD PRO 12 257.039 4.374 -3.632
106 HD3 PRO 12 2HD PRO 12 257.354 2.668 -3.253
107 H SER 13 H SER 13 257.381 5.634 1.651
108 HA SER 13 HA SER 13 255.026 7.107 1.390
109 HB2 SER 13 1HB SER 13 257.260 7.552 3.378
110 HB3 SER 13 2HB SER 13 255.579 8.057 3.557
111 HG SER 13 HG SER 13 255.121 5.700 3.269
112 H LYS 14 H LYS 14 258.301 7.988 0.589
113 HA LYS 14 HA LYS 14 257.805 10.806 0.518
114 HB2 LYS 14 1HB LYS 14 260.047 9.032 -0.312
115 HB3 LYS 14 2HB LYS 14 259.966 10.639 -1.016
116 HG2 LYS 14 1HG LYS 14 261.398 10.667 0.911
117 HG3 LYS 14 2HG LYS 14 259.945 11.606 1.245
118 HD2 LYS 14 1HD LYS 14 259.010 9.670 2.455
119 HD3 LYS 14 2HD LYS 14 260.508 8.788 2.161
120 HE2 LYS 14 1HE LYS 14 261.753 10.482 3.409
121 HE3 LYS 14 2HE LYS 14 260.260 11.373 3.693
122 HZ1 LYS 14 1HZ LYS 14 260.868 8.639 4.676
123 HZ2 LYS 14 2HZ LYS 14 259.414 9.460 4.923
124 HZ3 LYS 14 3HZ LYS 14 260.843 10.047 5.606
125 H ILE 15 H ILE 15 257.125 8.216 -1.617
126 HA ILE 15 HA ILE 15 257.024 9.753 -4.034
127 HB ILE 15 HB ILE 15 255.749 7.110 -3.306
128 HG12 ILE 15 1HG1 ILE 15 258.208 7.092 -3.377
129 HG13 ILE 15 2HG1 ILE 15 257.516 6.130 -4.678
130 HG21 ILE 15 1HG2 ILE 15 255.933 8.405 -6.021
131 HG22 ILE 15 2HG2 ILE 15 254.462 8.200 -5.070
132 HG23 ILE 15 3HG2 ILE 15 255.321 6.786 -5.681
133 HD11 ILE 15 1HD1 ILE 15 257.914 7.995 -6.229
134 HD12 ILE 15 2HD1 ILE 15 259.395 7.393 -5.486
135 HD13 ILE 15 3HD1 ILE 15 258.671 8.897 -4.915
136 H ARG 16 H ARG 16 254.759 8.882 -1.502
137 HA ARG 16 HA ARG 16 252.671 9.578 -0.961
138 HB2 ARG 16 1HB ARG 16 253.364 11.939 -2.716
139 HB3 ARG 16 2HB ARG 16 251.991 11.858 -1.623
140 HG2 ARG 16 1HG ARG 16 253.528 11.638 0.274
141 HG3 ARG 16 2HG ARG 16 254.895 11.766 -0.835
142 HD2 ARG 16 1HD ARG 16 252.774 13.856 -0.362
143 HD3 ARG 16 2HD ARG 16 254.439 13.913 0.217
144 HE ARG 16 HE ARG 16 254.557 13.630 -2.541
145 HH11 ARG 16 1HH1 ARG 16 253.357 15.973 -0.239
146 HH12 ARG 16 2HH1 ARG 16 253.609 17.327 -1.295
147 HH21 ARG 16 1HH2 ARG 16 254.876 15.401 -3.936
148 HH22 ARG 16 2HH2 ARG 16 254.468 17.001 -3.401
149 H ARG 17 H ARG 17 252.443 7.635 -2.611
150 HA ARG 17 HA ARG 17 250.684 8.526 -4.785
151 HB2 ARG 17 1HB ARG 17 252.631 6.965 -5.300
152 HB3 ARG 17 2HB ARG 17 251.751 5.728 -4.409
153 HG2 ARG 17 1HG ARG 17 249.933 5.803 -5.956
154 HG3 ARG 17 2HG ARG 17 250.616 7.212 -6.769
155 HD2 ARG 17 1HD ARG 17 252.585 5.809 -7.389
156 HD3 ARG 17 2HD ARG 17 251.737 4.412 -6.720
157 HE ARG 17 HE ARG 17 250.038 5.656 -8.554
158 HH11 ARG 17 1HH1 ARG 17 253.074 3.909 -8.548
159 HH12 ARG 17 2HH1 ARG 17 252.864 3.285 -10.158
160 HH21 ARG 17 1HH2 ARG 17 249.766 4.856 -10.663
161 HH22 ARG 17 2HH2 ARG 17 250.983 3.829 -11.363
162 H LYS 18 H LYS 18 248.589 8.270 -4.603
163 HA LYS 18 HA LYS 18 247.526 7.571 -2.065
164 HB2 LYS 18 1HB LYS 18 246.114 8.225 -4.662
165 HB3 LYS 18 2HB LYS 18 245.319 8.071 -3.104
166 HG2 LYS 18 1HG LYS 18 245.581 10.386 -3.512
167 HG3 LYS 18 2HG LYS 18 246.779 9.958 -2.292
168 HD2 LYS 18 1HD LYS 18 248.517 9.892 -3.980
169 HD3 LYS 18 2HD LYS 18 247.333 10.212 -5.247
170 HE2 LYS 18 1HE LYS 18 246.900 12.406 -4.321
171 HE3 LYS 18 2HE LYS 18 247.985 12.079 -2.971
172 HZ1 LYS 18 1HZ LYS 18 248.740 12.289 -5.834
173 HZ2 LYS 18 2HZ LYS 18 249.802 11.840 -4.599
174 HZ3 LYS 18 3HZ LYS 18 249.123 13.388 -4.606
175 H ALA 19 H ALA 19 246.169 5.883 -1.498
176 HA ALA 19 HA ALA 19 246.443 3.515 -3.202
177 HB1 ALA 19 1HB ALA 19 245.666 3.695 -0.299
178 HB2 ALA 19 2HB ALA 19 247.291 3.374 -0.902
179 HB3 ALA 19 3HB ALA 19 245.995 2.221 -1.211
180 H ASN 20 H ASN 20 244.763 3.119 -4.486
181 HA ASN 20 HA ASN 20 242.071 3.879 -3.622
182 HB2 ASN 20 1HB ASN 20 243.061 2.895 -6.311
183 HB3 ASN 20 2HB ASN 20 241.399 3.351 -5.954
184 HD21 ASN 20 1HD2 ASN 20 243.235 4.470 -7.901
185 HD22 ASN 20 2HD2 ASN 20 243.397 6.147 -7.515
186 H ALA 21 H ALA 21 243.853 1.497 -2.830
187 HA ALA 21 HA ALA 21 241.641 -0.374 -2.668
188 HB1 ALA 21 1HB ALA 21 242.763 -1.156 -4.659
189 HB2 ALA 21 2HB ALA 21 243.088 -2.281 -3.339
190 HB3 ALA 21 3HB ALA 21 244.321 -1.122 -3.837
191 H SER 22 H SER 22 242.009 -1.985 -0.986
192 HA SER 22 HA SER 22 244.243 -1.444 0.806
193 HB2 SER 22 1HB SER 22 241.385 -1.481 1.796
194 HB3 SER 22 2HB SER 22 242.833 -1.177 2.751
195 HG SER 22 HG SER 22 242.649 0.502 0.619
196 H CYS 23 H CYS 23 245.041 -3.249 1.689
197 HA CYS 23 HA CYS 23 243.881 -5.780 0.990
198 HB2 CYS 23 1HB CYS 23 246.316 -5.419 1.018
199 HB3 CYS 23 2HB CYS 23 246.246 -5.117 2.748
200 H LYS 24 H LYS 24 242.092 -6.308 2.027
201 HA LYS 24 HA LYS 24 241.247 -5.320 4.495
202 HB2 LYS 24 1HB LYS 24 240.362 -7.803 3.020
203 HB3 LYS 24 2HB LYS 24 239.472 -7.025 4.324
204 HG2 LYS 24 1HG LYS 24 238.682 -5.398 2.992
205 HG3 LYS 24 2HG LYS 24 240.192 -5.257 2.092
206 HD2 LYS 24 1HD LYS 24 239.604 -7.384 0.919
207 HD3 LYS 24 2HD LYS 24 238.037 -7.336 1.725
208 HE2 LYS 24 1HE LYS 24 237.457 -5.292 0.636
209 HE3 LYS 24 2HE LYS 24 239.089 -5.101 0.004
210 HZ1 LYS 24 1HZ LYS 24 237.258 -7.312 -0.739
211 HZ2 LYS 24 2HZ LYS 24 238.777 -6.979 -1.418
212 HZ3 LYS 24 3HZ LYS 24 237.487 -5.908 -1.653
213 H LYS 25 H LYS 25 243.196 -8.091 3.722
214 HA LYS 25 HA LYS 25 242.848 -9.571 6.085
215 HB2 LYS 25 1HB LYS 25 245.072 -9.421 4.073
216 HB3 LYS 25 2HB LYS 25 245.193 -10.450 5.492
217 HG2 LYS 25 1HG LYS 25 243.208 -11.668 4.805
218 HG3 LYS 25 2HG LYS 25 243.032 -10.615 3.402
219 HD2 LYS 25 1HD LYS 25 245.150 -11.382 2.519
220 HD3 LYS 25 2HD LYS 25 245.426 -12.360 3.960
221 HE2 LYS 25 1HE LYS 25 244.661 -13.777 2.172
222 HE3 LYS 25 2HE LYS 25 243.409 -13.675 3.407
223 HZ1 LYS 25 1HZ LYS 25 242.286 -12.003 2.026
224 HZ2 LYS 25 2HZ LYS 25 242.433 -13.491 1.242
225 HZ3 LYS 25 3HZ LYS 25 243.457 -12.216 0.822
226 H CYS 26 H CYS 26 245.342 -7.136 5.267
227 HA CYS 26 HA CYS 26 246.174 -7.274 8.083
228 HB2 CYS 26 1HB CYS 26 248.382 -6.532 7.370
229 HB3 CYS 26 2HB CYS 26 247.906 -7.991 6.509
230 H LYS 27 H LYS 27 244.468 -5.370 6.026
231 HA LYS 27 HA LYS 27 243.660 -3.269 6.115
232 HB2 LYS 27 1HB LYS 27 244.827 -3.349 8.893
233 HB3 LYS 27 2HB LYS 27 243.921 -1.977 8.276
234 HG2 LYS 27 1HG LYS 27 242.320 -3.163 9.444
235 HG3 LYS 27 2HG LYS 27 242.069 -3.711 7.788
236 HD2 LYS 27 1HD LYS 27 241.998 -5.637 9.175
237 HD3 LYS 27 2HD LYS 27 243.544 -5.674 8.326
238 HE2 LYS 27 1HE LYS 27 243.844 -6.267 10.663
239 HE3 LYS 27 2HE LYS 27 244.648 -4.741 10.308
240 HZ1 LYS 27 1HZ LYS 27 243.417 -4.685 12.403
241 HZ2 LYS 27 2HZ LYS 27 241.978 -5.002 11.578
242 HZ3 LYS 27 3HZ LYS 27 242.810 -3.557 11.299
243 H LYS 28 H LYS 28 246.238 -3.764 4.993
244 HA LYS 28 HA LYS 28 247.438 -1.102 5.303
245 HB2 LYS 28 1HB LYS 28 248.598 -3.693 4.273
246 HB3 LYS 28 2HB LYS 28 249.385 -2.138 4.031
247 HG2 LYS 28 1HG LYS 28 249.601 -1.816 6.401
248 HG3 LYS 28 2HG LYS 28 248.668 -3.279 6.721
249 HD2 LYS 28 1HD LYS 28 250.394 -4.651 5.773
250 HD3 LYS 28 2HD LYS 28 251.293 -3.229 5.244
251 HE2 LYS 28 1HE LYS 28 252.242 -4.217 7.285
252 HE3 LYS 28 2HE LYS 28 251.670 -2.571 7.547
253 HZ1 LYS 28 1HZ LYS 28 251.029 -4.019 9.359
254 HZ2 LYS 28 2HZ LYS 28 250.219 -5.050 8.295
255 HZ3 LYS 28 3HZ LYS 28 249.653 -3.476 8.537
256 H VAL 29 H VAL 29 247.534 0.243 3.576
257 HA VAL 29 HA VAL 29 245.623 -0.407 1.500
258 HB VAL 29 HB VAL 29 245.798 2.006 0.910
259 HG11 VAL 29 1HG1 VAL 29 244.070 1.212 2.419
260 HG12 VAL 29 2HG1 VAL 29 244.635 2.806 2.920
261 HG13 VAL 29 3HG1 VAL 29 245.172 1.367 3.789
262 HG21 VAL 29 1HG2 VAL 29 246.953 3.517 2.436
263 HG22 VAL 29 2HG2 VAL 29 248.087 2.390 1.691
264 HG23 VAL 29 3HG2 VAL 29 247.560 2.139 3.354
265 H ILE 30 H ILE 30 246.004 -0.181 -0.721
266 HA ILE 30 HA ILE 30 248.817 -0.152 -1.554
267 HB ILE 30 HB ILE 30 248.282 -2.158 -3.045
268 HG12 ILE 30 1HG1 ILE 30 246.088 -2.513 -0.988
269 HG13 ILE 30 2HG1 ILE 30 245.832 -2.097 -2.676
270 HG21 ILE 30 1HG2 ILE 30 249.806 -2.277 -1.148
271 HG22 ILE 30 2HG2 ILE 30 248.864 -3.763 -1.288
272 HG23 ILE 30 3HG2 ILE 30 248.447 -2.566 -0.060
273 HD11 ILE 30 1HD1 ILE 30 245.426 -4.475 -2.141
274 HD12 ILE 30 2HD1 ILE 30 247.138 -4.636 -1.740
275 HD13 ILE 30 3HD1 ILE 30 246.649 -4.224 -3.383
276 H CYS 31 H CYS 31 249.131 0.257 -3.788
277 HA CYS 31 HA CYS 31 246.890 1.633 -5.053
278 HB2 CYS 31 1HB CYS 31 248.496 2.651 -6.517
279 HB3 CYS 31 2HB CYS 31 249.171 2.724 -4.896
280 H ARG 32 H ARG 32 246.261 1.153 -7.198
281 HA ARG 32 HA ARG 32 245.912 -1.617 -7.599
282 HB2 ARG 32 1HB ARG 32 245.307 0.735 -9.390
283 HB3 ARG 32 2HB ARG 32 244.820 -0.913 -9.747
284 HG2 ARG 32 1HG ARG 32 243.998 0.596 -7.278
285 HG3 ARG 32 2HG ARG 32 243.033 0.485 -8.749
286 HD2 ARG 32 1HD ARG 32 243.906 -1.814 -6.999
287 HD3 ARG 32 2HD ARG 32 242.282 -1.141 -7.106
288 HE ARG 32 HE ARG 32 243.445 -2.175 -9.569
289 HH11 ARG 32 1HH1 ARG 32 241.277 -2.691 -6.870
290 HH12 ARG 32 2HH1 ARG 32 240.404 -3.967 -7.653
291 HH21 ARG 32 1HH2 ARG 32 242.307 -3.862 -10.596
292 HH22 ARG 32 2HH2 ARG 32 240.983 -4.628 -9.778
293 H GLU 33 H GLU 33 248.427 0.452 -8.553
294 HA GLU 33 HA GLU 33 249.216 -1.133 -10.837
295 HB2 GLU 33 1HB GLU 33 249.580 1.373 -10.593
296 HB3 GLU 33 2HB GLU 33 250.841 0.985 -9.432
297 HG2 GLU 33 1HG GLU 33 252.043 -0.260 -11.153
298 HG3 GLU 33 2HG GLU 33 250.775 0.127 -12.316
299 H HIS 34 H HIS 34 249.730 -1.101 -7.436
300 HA HIS 34 HA HIS 34 252.135 -2.746 -7.646
301 HB2 HIS 34 1HB HIS 34 250.889 -1.145 -5.510
302 HB3 HIS 34 2HB HIS 34 251.571 -2.676 -4.971
303 HD2 HIS 34 HD2 HIS 34 254.150 -2.491 -7.134
304 HE1 HIS 34 HE1 HIS 34 255.135 0.793 -4.661
305 HE2 HIS 34 HE2 HIS 34 256.048 -0.983 -6.221
306 H ASN 35 H ASN 35 248.807 -2.953 -6.500
307 HA ASN 35 HA ASN 35 248.866 -5.830 -6.942
308 HB2 ASN 35 1HB ASN 35 248.437 -4.545 -4.277
309 HB3 ASN 35 2HB ASN 35 247.489 -5.970 -4.678
310 HD21 ASN 35 1HD2 ASN 35 249.621 -7.210 -6.242
311 HD22 ASN 35 2HD2 ASN 35 250.794 -7.751 -5.099
312 H ILE 36 H ILE 36 246.476 -6.653 -6.386
313 HA ILE 36 HA ILE 36 244.713 -4.895 -7.899
314 HB ILE 36 HB ILE 36 244.264 -7.718 -6.908
315 HG12 ILE 36 1HG1 ILE 36 244.921 -6.692 -9.678
316 HG13 ILE 36 2HG1 ILE 36 246.040 -7.534 -8.613
317 HG21 ILE 36 1HG2 ILE 36 242.163 -6.527 -7.167
318 HG22 ILE 36 2HG2 ILE 36 242.342 -7.738 -8.436
319 HG23 ILE 36 3HG2 ILE 36 242.622 -6.035 -8.798
320 HD11 ILE 36 1HD1 ILE 36 244.623 -9.521 -8.709
321 HD12 ILE 36 2HD1 ILE 36 245.163 -9.021 -10.311
322 HD13 ILE 36 3HD1 ILE 36 243.515 -8.674 -9.786
323 H ASP 37 H ASP 37 244.292 -6.922 -5.013
324 HA ASP 37 HA ASP 37 242.899 -4.733 -3.672
325 HB2 ASP 37 1HB ASP 37 241.119 -5.939 -4.801
326 HB3 ASP 37 2HB ASP 37 241.703 -7.469 -4.161
327 H MET 38 H MET 38 244.139 -8.031 -3.475
328 HA MET 38 HA MET 38 244.555 -7.698 -0.594
329 HB2 MET 38 1HB MET 38 244.875 -10.182 -2.297
330 HB3 MET 38 2HB MET 38 244.920 -10.106 -0.541
331 HG2 MET 38 1HG MET 38 242.582 -9.440 -0.494
332 HG3 MET 38 2HG MET 38 242.530 -9.466 -2.254
333 HE1 MET 38 1HE MET 38 244.202 -12.048 -2.997
334 HE2 MET 38 2HE MET 38 242.643 -11.636 -3.714
335 HE3 MET 38 3HE MET 38 242.916 -13.253 -3.067
336 H CYS 39 H CYS 39 246.572 -7.483 0.246
337 HA CYS 39 HA CYS 39 248.788 -7.317 -1.629
338 HB2 CYS 39 1HB CYS 39 249.798 -5.941 -0.143
339 HB3 CYS 39 2HB CYS 39 248.218 -5.854 0.623
340 H GLN 40 H GLN 40 250.748 -8.516 -1.302
341 HA GLN 40 HA GLN 40 250.072 -11.207 -0.335
342 HB2 GLN 40 1HB GLN 40 252.088 -10.372 -2.425
343 HB3 GLN 40 2HB GLN 40 251.702 -12.028 -1.970
344 HG2 GLN 40 1HG GLN 40 249.438 -11.756 -2.774
345 HG3 GLN 40 2HG GLN 40 249.753 -10.064 -3.153
346 HE21 GLN 40 1HE2 GLN 40 250.295 -13.362 -4.085
347 HE22 GLN 40 2HE2 GLN 40 250.943 -13.019 -5.654
348 H SER 41 H SER 41 251.205 -8.957 1.241
349 HA SER 41 HA SER 41 253.748 -10.219 2.017
350 HB2 SER 41 1HB SER 41 252.876 -7.343 2.332
351 HB3 SER 41 2HB SER 41 254.398 -8.009 2.920
352 HG SER 41 HG SER 41 254.230 -6.923 0.708
353 H CYS 42 H CYS 42 250.815 -10.634 2.948
354 HA CYS 42 HA CYS 42 251.537 -10.527 5.793
355 HB2 CYS 42 1HB CYS 42 249.096 -10.209 6.319
356 HB3 CYS 42 2HB CYS 42 249.886 -8.826 5.576
357 H PHE 43 H PHE 43 248.598 -11.849 4.350
358 HA PHE 43 HA PHE 43 249.564 -14.551 4.494
359 HB2 PHE 43 1HB PHE 43 247.670 -15.206 6.101
360 HB3 PHE 43 2HB PHE 43 249.096 -14.450 6.794
361 HD1 PHE 43 HD1 PHE 43 245.542 -14.027 6.024
362 HD2 PHE 43 HD2 PHE 43 248.990 -12.244 7.759
363 HE1 PHE 43 HE1 PHE 43 244.118 -12.354 7.120
364 HE2 PHE 43 HE2 PHE 43 247.571 -10.564 8.858
365 HZ PHE 43 HZ PHE 43 245.131 -10.618 8.541
Start of MODEL 18
1 H1 VAL 1 1H VAL 1 248.131 18.224 9.959
2 H2 VAL 1 2H VAL 1 247.079 19.360 9.283
3 H3 VAL 1 3H VAL 1 248.558 19.029 8.537
4 HA VAL 1 HA VAL 1 246.365 17.080 8.875
5 HB VAL 1 HB VAL 1 246.140 17.286 6.372
6 HG11 VAL 1 1HG1 VAL 1 245.506 19.757 7.984
7 HG12 VAL 1 2HG1 VAL 1 244.516 18.302 7.890
8 HG13 VAL 1 3HG1 VAL 1 244.754 19.302 6.457
9 HG21 VAL 1 1HG2 VAL 1 248.283 18.379 5.916
10 HG22 VAL 1 2HG2 VAL 1 247.744 19.809 6.794
11 HG23 VAL 1 3HG2 VAL 1 246.934 19.334 5.302
12 H MET 2 H MET 2 247.015 15.038 8.671
13 HA MET 2 HA MET 2 249.053 14.259 6.820
14 HB2 MET 2 1HB MET 2 250.500 15.023 8.640
15 HB3 MET 2 2HB MET 2 249.630 14.008 9.782
16 HG2 MET 2 1HG MET 2 251.758 13.019 9.135
17 HG3 MET 2 2HG MET 2 250.399 12.013 8.638
18 HE1 MET 2 1HE MET 2 251.882 10.620 6.955
19 HE2 MET 2 2HE MET 2 253.284 11.540 7.502
20 HE3 MET 2 3HE MET 2 252.968 11.356 5.778
21 H LYS 3 H LYS 3 248.377 12.396 6.027
22 HA LYS 3 HA LYS 3 247.036 10.485 7.814
23 HB2 LYS 3 1HB LYS 3 246.200 11.294 5.027
24 HB3 LYS 3 2HB LYS 3 245.580 9.874 5.857
25 HG2 LYS 3 1HG LYS 3 244.629 11.258 7.595
26 HG3 LYS 3 2HG LYS 3 245.324 12.703 6.854
27 HD2 LYS 3 1HD LYS 3 243.969 12.356 4.867
28 HD3 LYS 3 2HD LYS 3 243.307 10.873 5.558
29 HE2 LYS 3 1HE LYS 3 242.271 12.130 7.347
30 HE3 LYS 3 2HE LYS 3 243.007 13.620 6.763
31 HZ1 LYS 3 1HZ LYS 3 241.025 11.981 5.284
32 HZ2 LYS 3 2HZ LYS 3 241.726 13.416 4.731
33 HZ3 LYS 3 3HZ LYS 3 240.702 13.441 6.076
34 H LYS 4 H LYS 4 248.014 8.613 7.846
35 HA LYS 4 HA LYS 4 250.115 8.065 5.924
36 HB2 LYS 4 1HB LYS 4 249.272 6.506 8.370
37 HB3 LYS 4 2HB LYS 4 250.720 6.222 7.416
38 HG2 LYS 4 1HG LYS 4 251.540 8.459 8.043
39 HG3 LYS 4 2HG LYS 4 250.110 8.673 9.056
40 HD2 LYS 4 1HD LYS 4 250.763 6.651 10.328
41 HD3 LYS 4 2HD LYS 4 252.236 6.556 9.364
42 HE2 LYS 4 1HE LYS 4 252.764 7.615 11.447
43 HE3 LYS 4 2HE LYS 4 252.838 8.828 10.173
44 HZ1 LYS 4 1HZ LYS 4 250.585 8.426 12.061
45 HZ2 LYS 4 2HZ LYS 4 250.625 9.576 10.822
46 HZ3 LYS 4 3HZ LYS 4 251.712 9.688 12.110
47 H ARG 5 H ARG 5 247.142 6.556 7.109
48 HA ARG 5 HA ARG 5 247.440 4.287 5.377
49 HB2 ARG 5 1HB ARG 5 245.231 5.128 7.244
50 HB3 ARG 5 2HB ARG 5 245.161 3.664 6.271
51 HG2 ARG 5 1HG ARG 5 247.262 2.913 7.358
52 HG3 ARG 5 2HG ARG 5 247.167 4.323 8.411
53 HD2 ARG 5 1HD ARG 5 245.037 2.203 8.179
54 HD3 ARG 5 2HD ARG 5 246.274 2.243 9.434
55 HE ARG 5 HE ARG 5 245.139 4.653 9.715
56 HH11 ARG 5 1HH1 ARG 5 243.760 1.445 9.445
57 HH12 ARG 5 2HH1 ARG 5 242.347 1.837 10.371
58 HH21 ARG 5 1HH2 ARG 5 243.300 5.158 10.978
59 HH22 ARG 5 2HH2 ARG 5 242.086 3.944 11.245
60 H THR 6 H THR 6 246.561 7.325 4.633
61 HA THR 6 HA THR 6 244.506 6.592 2.714
62 HB THR 6 HB THR 6 245.948 9.235 3.055
63 HG1 THR 6 HG1 THR 6 243.464 9.444 3.855
64 HG21 THR 6 1HG2 THR 6 244.925 8.961 0.844
65 HG22 THR 6 2HG2 THR 6 244.067 10.171 1.800
66 HG23 THR 6 3HG2 THR 6 243.385 8.555 1.605
67 H TYR 7 H TYR 7 247.860 6.675 2.980
68 HA TYR 7 HA TYR 7 248.204 6.616 0.063
69 HB2 TYR 7 1HB TYR 7 250.074 7.479 2.263
70 HB3 TYR 7 2HB TYR 7 250.642 7.121 0.636
71 HD1 TYR 7 HD1 TYR 7 248.602 9.415 2.670
72 HD2 TYR 7 HD2 TYR 7 250.215 8.614 -1.179
73 HE1 TYR 7 HE1 TYR 7 248.047 11.702 1.966
74 HE2 TYR 7 HE2 TYR 7 249.676 10.896 -1.890
75 HH TYR 7 HH TYR 7 248.759 13.336 0.293
76 H CYS 8 H CYS 8 249.518 5.052 -0.825
77 HA CYS 8 HA CYS 8 249.151 2.479 0.217
78 HB2 CYS 8 1HB CYS 8 249.319 2.818 -2.133
79 HB3 CYS 8 2HB CYS 8 250.906 3.551 -1.982
80 H THR 9 H THR 9 250.193 1.366 1.665
81 HA THR 9 HA THR 9 252.438 2.347 3.068
82 HB THR 9 HB THR 9 251.323 -0.465 3.040
83 HG1 THR 9 HG1 THR 9 250.416 0.718 5.137
84 HG21 THR 9 1HG2 THR 9 252.905 1.025 5.135
85 HG22 THR 9 2HG2 THR 9 253.497 -0.301 4.135
86 HG23 THR 9 3HG2 THR 9 252.220 -0.590 5.316
87 H TYR 10 H TYR 10 252.078 0.203 0.351
88 HA TYR 10 HA TYR 10 254.756 -0.842 0.523
89 HB2 TYR 10 1HB TYR 10 252.593 -1.096 -1.562
90 HB3 TYR 10 2HB TYR 10 254.180 -1.835 -1.730
91 HD1 TYR 10 HD1 TYR 10 253.736 -2.026 1.632
92 HD2 TYR 10 HD2 TYR 10 252.064 -3.646 -1.928
93 HE1 TYR 10 HE1 TYR 10 252.987 -3.992 2.890
94 HE2 TYR 10 HE2 TYR 10 251.307 -5.617 -0.677
95 HH TYR 10 HH TYR 10 251.391 -5.772 2.757
96 H CYS 11 H CYS 11 253.262 1.908 -0.803
97 HA CYS 11 HA CYS 11 255.465 2.463 -2.615
98 HB2 CYS 11 1HB CYS 11 252.872 3.815 -1.969
99 HB3 CYS 11 2HB CYS 11 254.158 4.737 -2.734
100 HA PRO 12 HA PRO 12 257.923 4.406 0.535
101 HB2 PRO 12 1HB PRO 12 258.928 6.079 -1.695
102 HB3 PRO 12 2HB PRO 12 259.822 5.051 -0.573
103 HG2 PRO 12 1HG PRO 12 259.443 4.332 -3.126
104 HG3 PRO 12 2HG PRO 12 259.450 3.139 -1.814
105 HD2 PRO 12 1HD PRO 12 257.146 4.290 -3.323
106 HD3 PRO 12 2HD PRO 12 257.383 2.645 -2.697
107 H SER 13 H SER 13 257.806 6.227 1.756
108 HA SER 13 HA SER 13 255.494 7.796 1.503
109 HB2 SER 13 1HB SER 13 257.909 8.247 3.262
110 HB3 SER 13 2HB SER 13 256.319 8.973 3.485
111 HG SER 13 HG SER 13 255.779 6.472 3.333
112 H LYS 14 H LYS 14 258.703 8.292 0.307
113 HA LYS 14 HA LYS 14 258.378 11.108 -0.132
114 HB2 LYS 14 1HB LYS 14 260.367 9.139 -1.268
115 HB3 LYS 14 2HB LYS 14 260.424 10.874 -1.536
116 HG2 LYS 14 1HG LYS 14 260.638 9.507 1.136
117 HG3 LYS 14 2HG LYS 14 261.977 10.181 0.206
118 HD2 LYS 14 1HD LYS 14 260.903 12.406 0.344
119 HD3 LYS 14 2HD LYS 14 259.640 11.705 1.356
120 HE2 LYS 14 1HE LYS 14 261.320 11.079 3.019
121 HE3 LYS 14 2HE LYS 14 262.582 11.781 2.009
122 HZ1 LYS 14 1HZ LYS 14 261.479 13.937 2.231
123 HZ2 LYS 14 2HZ LYS 14 261.945 13.313 3.731
124 HZ3 LYS 14 3HZ LYS 14 260.324 13.248 3.257
125 H ILE 15 H ILE 15 257.338 8.277 -1.726
126 HA ILE 15 HA ILE 15 257.079 9.497 -4.335
127 HB ILE 15 HB ILE 15 256.000 6.886 -3.257
128 HG12 ILE 15 1HG1 ILE 15 258.433 6.925 -3.384
129 HG13 ILE 15 2HG1 ILE 15 257.780 5.866 -4.627
130 HG21 ILE 15 1HG2 ILE 15 255.540 6.280 -5.576
131 HG22 ILE 15 2HG2 ILE 15 256.042 7.889 -6.099
132 HG23 ILE 15 3HG2 ILE 15 254.610 7.697 -5.088
133 HD11 ILE 15 1HD1 ILE 15 259.599 7.150 -5.521
134 HD12 ILE 15 2HD1 ILE 15 258.835 8.654 -5.011
135 HD13 ILE 15 3HD1 ILE 15 258.092 7.673 -6.273
136 H ARG 16 H ARG 16 255.051 8.823 -1.542
137 HA ARG 16 HA ARG 16 252.934 9.441 -0.973
138 HB2 ARG 16 1HB ARG 16 253.642 11.728 -2.810
139 HB3 ARG 16 2HB ARG 16 252.179 11.685 -1.839
140 HG2 ARG 16 1HG ARG 16 253.517 11.604 0.193
141 HG3 ARG 16 2HG ARG 16 254.995 11.621 -0.776
142 HD2 ARG 16 1HD ARG 16 254.381 13.800 -1.682
143 HD3 ARG 16 2HD ARG 16 252.889 13.780 -0.746
144 HE ARG 16 HE ARG 16 254.861 13.467 1.111
145 HH11 ARG 16 1HH1 ARG 16 254.220 15.838 -1.386
146 HH12 ARG 16 2HH1 ARG 16 254.912 17.154 -0.487
147 HH21 ARG 16 1HH2 ARG 16 255.780 15.190 2.281
148 HH22 ARG 16 2HH2 ARG 16 255.800 16.783 1.595
149 H ARG 17 H ARG 17 252.430 7.458 -2.334
150 HA ARG 17 HA ARG 17 250.722 8.206 -4.603
151 HB2 ARG 17 1HB ARG 17 252.532 6.660 -5.194
152 HB3 ARG 17 2HB ARG 17 251.994 5.539 -3.951
153 HG2 ARG 17 1HG ARG 17 250.019 5.021 -5.136
154 HG3 ARG 17 2HG ARG 17 250.247 6.372 -6.248
155 HD2 ARG 17 1HD ARG 17 252.112 4.011 -6.030
156 HD3 ARG 17 2HD ARG 17 250.822 4.150 -7.224
157 HE ARG 17 HE ARG 17 252.039 6.269 -7.918
158 HH11 ARG 17 1HH1 ARG 17 253.706 3.488 -6.565
159 HH12 ARG 17 2HH1 ARG 17 255.192 3.827 -7.393
160 HH21 ARG 17 1HH2 ARG 17 253.999 6.715 -8.987
161 HH22 ARG 17 2HH2 ARG 17 255.360 5.659 -8.761
162 H LYS 18 H LYS 18 248.625 8.126 -4.288
163 HA LYS 18 HA LYS 18 247.489 7.513 -1.797
164 HB2 LYS 18 1HB LYS 18 246.253 7.953 -4.510
165 HB3 LYS 18 2HB LYS 18 245.284 7.636 -3.084
166 HG2 LYS 18 1HG LYS 18 245.275 9.966 -3.379
167 HG3 LYS 18 2HG LYS 18 246.379 9.657 -2.040
168 HD2 LYS 18 1HD LYS 18 248.262 10.129 -3.330
169 HD3 LYS 18 2HD LYS 18 247.393 9.909 -4.849
170 HE2 LYS 18 1HE LYS 18 247.890 12.280 -4.344
171 HE3 LYS 18 2HE LYS 18 246.169 11.947 -4.508
172 HZ1 LYS 18 1HZ LYS 18 247.663 12.310 -1.962
173 HZ2 LYS 18 2HZ LYS 18 246.035 11.864 -2.068
174 HZ3 LYS 18 3HZ LYS 18 246.531 13.371 -2.640
175 H ALA 19 H ALA 19 246.135 5.858 -1.121
176 HA ALA 19 HA ALA 19 246.370 3.356 -2.658
177 HB1 ALA 19 1HB ALA 19 245.899 3.685 0.300
178 HB2 ALA 19 2HB ALA 19 247.459 3.348 -0.446
179 HB3 ALA 19 3HB ALA 19 246.153 2.169 -0.566
180 H ASN 20 H ASN 20 244.547 2.950 -3.745
181 HA ASN 20 HA ASN 20 241.987 3.863 -2.729
182 HB2 ASN 20 1HB ASN 20 242.458 4.095 -5.129
183 HB3 ASN 20 2HB ASN 20 242.663 2.352 -5.268
184 HD21 ASN 20 1HD2 ASN 20 240.858 1.029 -5.312
185 HD22 ASN 20 2HD2 ASN 20 239.249 1.649 -5.464
186 H ALA 21 H ALA 21 243.876 1.000 -2.707
187 HA ALA 21 HA ALA 21 241.517 -0.573 -1.910
188 HB1 ALA 21 1HB ALA 21 242.736 -2.571 -2.655
189 HB2 ALA 21 2HB ALA 21 244.070 -1.547 -3.189
190 HB3 ALA 21 3HB ALA 21 242.494 -1.417 -3.968
191 H SER 22 H SER 22 241.970 -2.294 -0.332
192 HA SER 22 HA SER 22 244.276 -1.816 1.389
193 HB2 SER 22 1HB SER 22 241.448 -1.928 2.467
194 HB3 SER 22 2HB SER 22 242.925 -1.627 3.384
195 HG SER 22 HG SER 22 242.984 0.188 1.568
196 H CYS 23 H CYS 23 244.858 -3.639 2.631
197 HA CYS 23 HA CYS 23 243.735 -6.136 1.621
198 HB2 CYS 23 1HB CYS 23 246.195 -5.753 1.632
199 HB3 CYS 23 2HB CYS 23 246.140 -5.691 3.389
200 H LYS 24 H LYS 24 242.296 -7.222 2.706
201 HA LYS 24 HA LYS 24 241.007 -6.161 4.921
202 HB2 LYS 24 1HB LYS 24 240.054 -7.684 3.172
203 HB3 LYS 24 2HB LYS 24 240.859 -9.023 3.978
204 HG2 LYS 24 1HG LYS 24 238.589 -9.013 4.677
205 HG3 LYS 24 2HG LYS 24 239.566 -8.457 6.037
206 HD2 LYS 24 1HD LYS 24 239.006 -6.147 5.520
207 HD3 LYS 24 2HD LYS 24 238.073 -6.671 4.118
208 HE2 LYS 24 1HE LYS 24 236.561 -7.906 5.603
209 HE3 LYS 24 2HE LYS 24 237.487 -7.352 6.997
210 HZ1 LYS 24 1HZ LYS 24 236.016 -5.615 5.094
211 HZ2 LYS 24 2HZ LYS 24 236.917 -5.074 6.416
212 HZ3 LYS 24 3HZ LYS 24 235.525 -6.001 6.664
213 H LYS 25 H LYS 25 243.378 -8.796 4.796
214 HA LYS 25 HA LYS 25 242.871 -9.585 7.496
215 HB2 LYS 25 1HB LYS 25 244.948 -10.368 5.478
216 HB3 LYS 25 2HB LYS 25 245.035 -10.930 7.141
217 HG2 LYS 25 1HG LYS 25 242.803 -11.931 6.904
218 HG3 LYS 25 2HG LYS 25 242.765 -11.408 5.220
219 HD2 LYS 25 1HD LYS 25 244.588 -12.829 4.652
220 HD3 LYS 25 2HD LYS 25 244.924 -13.180 6.348
221 HE2 LYS 25 1HE LYS 25 243.796 -15.059 5.302
222 HE3 LYS 25 2HE LYS 25 242.764 -14.328 6.529
223 HZ1 LYS 25 1HZ LYS 25 241.575 -13.165 4.762
224 HZ2 LYS 25 2HZ LYS 25 241.513 -14.839 4.544
225 HZ3 LYS 25 3HZ LYS 25 242.553 -13.904 3.598
226 H CYS 26 H CYS 26 245.706 -7.981 5.986
227 HA CYS 26 HA CYS 26 246.811 -7.606 8.640
228 HB2 CYS 26 1HB CYS 26 248.803 -6.744 7.496
229 HB3 CYS 26 2HB CYS 26 248.323 -8.315 6.866
230 H LYS 27 H LYS 27 244.856 -5.867 6.499
231 HA LYS 27 HA LYS 27 243.853 -3.853 6.663
232 HB2 LYS 27 1HB LYS 27 245.269 -3.743 9.326
233 HB3 LYS 27 2HB LYS 27 244.139 -2.516 8.772
234 HG2 LYS 27 1HG LYS 27 243.429 -5.426 9.062
235 HG3 LYS 27 2HG LYS 27 243.176 -4.220 10.325
236 HD2 LYS 27 1HD LYS 27 241.738 -2.940 8.808
237 HD3 LYS 27 2HD LYS 27 241.989 -4.152 7.550
238 HE2 LYS 27 1HE LYS 27 239.849 -4.450 8.721
239 HE3 LYS 27 2HE LYS 27 240.917 -5.838 8.910
240 HZ1 LYS 27 1HZ LYS 27 241.506 -5.063 11.106
241 HZ2 LYS 27 2HZ LYS 27 239.827 -5.216 10.988
242 HZ3 LYS 27 3HZ LYS 27 240.542 -3.684 10.923
243 H LYS 28 H LYS 28 246.737 -4.268 5.703
244 HA LYS 28 HA LYS 28 247.735 -1.545 5.821
245 HB2 LYS 28 1HB LYS 28 248.724 -4.020 4.400
246 HB3 LYS 28 2HB LYS 28 249.468 -2.441 4.193
247 HG2 LYS 28 1HG LYS 28 249.985 -2.361 6.573
248 HG3 LYS 28 2HG LYS 28 249.219 -3.937 6.796
249 HD2 LYS 28 1HD LYS 28 250.853 -4.970 5.337
250 HD3 LYS 28 2HD LYS 28 251.584 -3.401 5.000
251 HE2 LYS 28 1HE LYS 28 252.221 -3.179 7.340
252 HE3 LYS 28 2HE LYS 28 251.447 -4.718 7.709
253 HZ1 LYS 28 1HZ LYS 28 253.032 -5.852 6.340
254 HZ2 LYS 28 2HZ LYS 28 253.874 -4.880 7.439
255 HZ3 LYS 28 3HZ LYS 28 253.719 -4.393 5.828
256 H VAL 29 H VAL 29 247.639 -0.073 4.192
257 HA VAL 29 HA VAL 29 245.636 -0.620 2.151
258 HB VAL 29 HB VAL 29 245.641 1.815 1.758
259 HG11 VAL 29 1HG1 VAL 29 244.092 0.854 3.364
260 HG12 VAL 29 2HG1 VAL 29 244.622 2.448 3.902
261 HG13 VAL 29 3HG1 VAL 29 245.300 0.997 4.641
262 HG21 VAL 29 1HG2 VAL 29 246.856 3.304 3.254
263 HG22 VAL 29 2HG2 VAL 29 247.972 2.270 2.363
264 HG23 VAL 29 3HG2 VAL 29 247.600 1.917 4.050
265 H ILE 30 H ILE 30 245.980 -0.342 -0.041
266 HA ILE 30 HA ILE 30 248.772 -0.127 -0.902
267 HB ILE 30 HB ILE 30 248.374 -2.184 -2.366
268 HG12 ILE 30 1HG1 ILE 30 246.151 -2.537 -0.341
269 HG13 ILE 30 2HG1 ILE 30 245.980 -2.423 -2.088
270 HG21 ILE 30 1HG2 ILE 30 248.592 -2.529 0.624
271 HG22 ILE 30 2HG2 ILE 30 249.917 -2.157 -0.481
272 HG23 ILE 30 3HG2 ILE 30 249.089 -3.712 -0.588
273 HD11 ILE 30 1HD1 ILE 30 247.262 -4.665 -0.549
274 HD12 ILE 30 2HD1 ILE 30 247.206 -4.549 -2.306
275 HD13 ILE 30 3HD1 ILE 30 245.709 -4.701 -1.386
276 H CYS 31 H CYS 31 249.065 0.444 -3.030
277 HA CYS 31 HA CYS 31 246.877 1.896 -4.224
278 HB2 CYS 31 1HB CYS 31 248.540 2.754 -5.760
279 HB3 CYS 31 2HB CYS 31 249.228 2.778 -4.144
280 H ARG 32 H ARG 32 246.444 1.682 -6.574
281 HA ARG 32 HA ARG 32 245.693 -0.969 -7.207
282 HB2 ARG 32 1HB ARG 32 245.675 1.585 -8.802
283 HB3 ARG 32 2HB ARG 32 245.102 0.059 -9.458
284 HG2 ARG 32 1HG ARG 32 243.400 -0.078 -7.743
285 HG3 ARG 32 2HG ARG 32 244.006 1.400 -6.993
286 HD2 ARG 32 1HD ARG 32 243.419 2.688 -8.936
287 HD3 ARG 32 2HD ARG 32 242.973 1.233 -9.820
288 HE ARG 32 HE ARG 32 241.283 1.117 -7.761
289 HH11 ARG 32 1HH1 ARG 32 242.178 3.815 -9.803
290 HH12 ARG 32 2HH1 ARG 32 240.615 4.564 -9.726
291 HH21 ARG 32 1HH2 ARG 32 239.208 2.111 -7.652
292 HH22 ARG 32 2HH2 ARG 32 238.933 3.602 -8.495
293 H GLU 33 H GLU 33 248.672 0.464 -7.433
294 HA GLU 33 HA GLU 33 249.499 -1.188 -9.708
295 HB2 GLU 33 1HB GLU 33 250.875 1.058 -8.245
296 HB3 GLU 33 2HB GLU 33 251.672 0.073 -9.462
297 HG2 GLU 33 1HG GLU 33 249.242 1.790 -9.891
298 HG3 GLU 33 2HG GLU 33 250.889 2.178 -10.385
299 H HIS 34 H HIS 34 249.261 -1.383 -6.404
300 HA HIS 34 HA HIS 34 251.486 -3.317 -6.280
301 HB2 HIS 34 1HB HIS 34 250.656 -1.207 -4.330
302 HB3 HIS 34 2HB HIS 34 251.316 -2.712 -3.707
303 HD2 HIS 34 HD2 HIS 34 253.615 -2.941 -6.149
304 HE1 HIS 34 HE1 HIS 34 255.052 0.535 -4.217
305 HE2 HIS 34 HE2 HIS 34 255.682 -1.459 -5.657
306 H ASN 35 H ASN 35 248.242 -3.097 -6.390
307 HA ASN 35 HA ASN 35 247.764 -4.971 -4.188
308 HB2 ASN 35 1HB ASN 35 245.497 -4.238 -4.138
309 HB3 ASN 35 2HB ASN 35 246.493 -2.794 -4.237
310 HD21 ASN 35 1HD2 ASN 35 243.680 -3.257 -4.988
311 HD22 ASN 35 2HD2 ASN 35 243.561 -2.792 -6.647
312 H ILE 36 H ILE 36 246.815 -6.905 -4.468
313 HA ILE 36 HA ILE 36 245.732 -7.536 -7.136
314 HB ILE 36 HB ILE 36 245.893 -9.925 -6.499
315 HG12 ILE 36 1HG1 ILE 36 247.369 -8.900 -4.060
316 HG13 ILE 36 2HG1 ILE 36 245.775 -9.640 -4.051
317 HG21 ILE 36 1HG2 ILE 36 247.685 -8.945 -7.787
318 HG22 ILE 36 2HG2 ILE 36 248.345 -10.120 -6.648
319 HG23 ILE 36 3HG2 ILE 36 248.482 -8.394 -6.313
320 HD11 ILE 36 1HD1 ILE 36 247.482 -11.208 -3.332
321 HD12 ILE 36 2HD1 ILE 36 248.340 -10.990 -4.858
322 HD13 ILE 36 3HD1 ILE 36 246.742 -11.735 -4.844
323 H ASP 37 H ASP 37 244.404 -5.872 -5.428
324 HA ASP 37 HA ASP 37 242.657 -5.466 -4.039
325 HB2 ASP 37 1HB ASP 37 241.697 -8.027 -5.320
326 HB3 ASP 37 2HB ASP 37 240.701 -7.064 -4.231
327 H MET 38 H MET 38 244.892 -6.683 -3.036
328 HA MET 38 HA MET 38 244.401 -7.531 -0.476
329 HB2 MET 38 1HB MET 38 243.290 -9.505 -1.478
330 HB3 MET 38 2HB MET 38 244.719 -9.834 -2.439
331 HG2 MET 38 1HG MET 38 245.982 -10.341 -0.428
332 HG3 MET 38 2HG MET 38 244.575 -9.958 0.565
333 HE1 MET 38 1HE MET 38 246.266 -12.729 0.636
334 HE2 MET 38 2HE MET 38 244.950 -13.889 0.809
335 HE3 MET 38 3HE MET 38 244.921 -12.382 1.723
336 H CYS 39 H CYS 39 246.541 -8.261 0.486
337 HA CYS 39 HA CYS 39 248.726 -7.517 -1.327
338 HB2 CYS 39 1HB CYS 39 249.911 -6.709 0.450
339 HB3 CYS 39 2HB CYS 39 248.301 -6.540 1.136
340 H GLN 40 H GLN 40 250.468 -8.879 -1.665
341 HA GLN 40 HA GLN 40 249.769 -11.644 -1.623
342 HB2 GLN 40 1HB GLN 40 251.930 -11.999 -2.748
343 HB3 GLN 40 2HB GLN 40 250.970 -10.746 -3.521
344 HG2 GLN 40 1HG GLN 40 252.317 -9.032 -2.446
345 HG3 GLN 40 2HG GLN 40 253.262 -10.274 -1.630
346 HE21 GLN 40 1HE2 GLN 40 253.272 -12.039 -3.950
347 HE22 GLN 40 2HE2 GLN 40 254.373 -11.335 -5.081
348 H SER 41 H SER 41 251.194 -9.663 0.659
349 HA SER 41 HA SER 41 252.935 -11.585 1.861
350 HB2 SER 41 1HB SER 41 253.179 -9.135 2.202
351 HB3 SER 41 2HB SER 41 251.657 -9.127 3.087
352 HG SER 41 HG SER 41 253.046 -10.974 4.249
353 H CYS 42 H CYS 42 249.541 -10.998 1.870
354 HA CYS 42 HA CYS 42 249.144 -12.826 4.129
355 HB2 CYS 42 1HB CYS 42 247.190 -11.128 2.566
356 HB3 CYS 42 2HB CYS 42 246.703 -12.287 3.795
357 H PHE 43 H PHE 43 249.759 -13.088 0.961
358 HA PHE 43 HA PHE 43 247.751 -15.091 0.322
359 HB2 PHE 43 1HB PHE 43 248.469 -13.434 -1.392
360 HB3 PHE 43 2HB PHE 43 250.093 -14.107 -1.329
361 HD1 PHE 43 HD1 PHE 43 246.606 -14.774 -2.297
362 HD2 PHE 43 HD2 PHE 43 250.639 -16.115 -2.480
363 HE1 PHE 43 HE1 PHE 43 245.984 -16.407 -4.029
364 HE2 PHE 43 HE2 PHE 43 250.024 -17.749 -4.211
365 HZ PHE 43 HZ PHE 43 247.692 -17.897 -4.989
Start of MODEL 19
1 H1 VAL 1 1H VAL 1 250.409 15.625 9.660
2 H2 VAL 1 2H VAL 1 250.337 13.989 10.074
3 H3 VAL 1 3H VAL 1 249.343 15.105 10.865
4 HA VAL 1 HA VAL 1 248.153 15.556 8.847
5 HB VAL 1 HB VAL 1 250.085 15.062 7.330
6 HG11 VAL 1 1HG1 VAL 1 249.322 12.187 7.822
7 HG12 VAL 1 2HG1 VAL 1 250.830 12.966 8.299
8 HG13 VAL 1 3HG1 VAL 1 250.450 12.752 6.591
9 HG21 VAL 1 1HG2 VAL 1 248.732 14.112 5.509
10 HG22 VAL 1 2HG2 VAL 1 247.864 15.357 6.407
11 HG23 VAL 1 3HG2 VAL 1 247.497 13.654 6.683
12 H MET 2 H MET 2 246.236 14.438 8.532
13 HA MET 2 HA MET 2 245.742 12.326 10.420
14 HB2 MET 2 1HB MET 2 244.089 14.094 10.086
15 HB3 MET 2 2HB MET 2 243.936 13.659 8.390
16 HG2 MET 2 1HG MET 2 242.069 12.832 9.717
17 HG3 MET 2 2HG MET 2 242.990 11.516 8.993
18 HE1 MET 2 1HE MET 2 241.770 9.822 10.624
19 HE2 MET 2 2HE MET 2 240.878 11.142 11.381
20 HE3 MET 2 3HE MET 2 241.755 9.982 12.379
21 H LYS 3 H LYS 3 245.762 10.232 10.048
22 HA LYS 3 HA LYS 3 245.817 8.208 9.055
23 HB2 LYS 3 1HB LYS 3 244.330 9.672 6.883
24 HB3 LYS 3 2HB LYS 3 244.655 7.945 6.835
25 HG2 LYS 3 1HG LYS 3 243.411 7.662 8.928
26 HG3 LYS 3 2HG LYS 3 243.065 9.391 8.943
27 HD2 LYS 3 1HD LYS 3 241.163 8.194 8.056
28 HD3 LYS 3 2HD LYS 3 241.910 9.148 6.776
29 HE2 LYS 3 1HE LYS 3 243.044 7.152 5.943
30 HE3 LYS 3 2HE LYS 3 242.330 6.196 7.239
31 HZ1 LYS 3 1HZ LYS 3 240.147 6.646 6.335
32 HZ2 LYS 3 2HZ LYS 3 241.129 5.950 5.149
33 HZ3 LYS 3 3HZ LYS 3 240.812 7.608 5.113
34 H LYS 4 H LYS 4 247.973 7.940 8.882
35 HA LYS 4 HA LYS 4 249.545 8.865 6.698
36 HB2 LYS 4 1HB LYS 4 249.958 6.487 8.526
37 HB3 LYS 4 2HB LYS 4 251.161 7.120 7.414
38 HG2 LYS 4 1HG LYS 4 249.986 8.615 9.748
39 HG3 LYS 4 2HG LYS 4 251.561 7.822 9.721
40 HD2 LYS 4 1HD LYS 4 252.169 9.292 7.787
41 HD3 LYS 4 2HD LYS 4 250.660 10.166 8.055
42 HE2 LYS 4 1HE LYS 4 252.526 11.313 9.117
43 HE3 LYS 4 2HE LYS 4 251.382 10.726 10.322
44 HZ1 LYS 4 1HZ LYS 4 253.924 9.382 9.576
45 HZ2 LYS 4 2HZ LYS 4 252.842 8.863 10.766
46 HZ3 LYS 4 3HZ LYS 4 253.684 10.313 10.965
47 H ARG 5 H ARG 5 247.437 6.210 7.289
48 HA ARG 5 HA ARG 5 248.262 4.668 5.009
49 HB2 ARG 5 1HB ARG 5 245.911 4.388 6.880
50 HB3 ARG 5 2HB ARG 5 246.319 3.235 5.616
51 HG2 ARG 5 1HG ARG 5 248.473 2.822 6.684
52 HG3 ARG 5 2HG ARG 5 248.064 3.976 7.952
53 HD2 ARG 5 1HD ARG 5 246.151 2.585 8.588
54 HD3 ARG 5 2HD ARG 5 246.583 1.427 7.329
55 HE ARG 5 HE ARG 5 248.717 1.956 9.172
56 HH11 ARG 5 1HH1 ARG 5 245.844 0.043 8.618
57 HH12 ARG 5 2HH1 ARG 5 246.351 -1.253 9.655
58 HH21 ARG 5 1HH2 ARG 5 249.395 0.252 10.531
59 HH22 ARG 5 2HH2 ARG 5 248.378 -1.138 10.734
60 H THR 6 H THR 6 247.692 7.173 4.181
61 HA THR 6 HA THR 6 245.235 6.825 2.595
62 HB THR 6 HB THR 6 246.894 9.327 3.024
63 HG1 THR 6 HG1 THR 6 245.816 9.255 4.868
64 HG21 THR 6 1HG2 THR 6 245.017 10.504 1.971
65 HG22 THR 6 2HG2 THR 6 244.216 8.960 1.676
66 HG23 THR 6 3HG2 THR 6 245.739 9.330 0.868
67 H TYR 7 H TYR 7 248.594 6.685 2.613
68 HA TYR 7 HA TYR 7 248.711 6.686 -0.322
69 HB2 TYR 7 1HB TYR 7 250.816 7.550 1.673
70 HB3 TYR 7 2HB TYR 7 251.125 7.329 -0.049
71 HD1 TYR 7 HD1 TYR 7 249.555 9.451 2.475
72 HD2 TYR 7 HD2 TYR 7 250.142 8.840 -1.693
73 HE1 TYR 7 HE1 TYR 7 248.756 11.732 2.032
74 HE2 TYR 7 HE2 TYR 7 249.358 11.119 -2.145
75 HH TYR 7 HH TYR 7 248.955 13.448 0.291
76 H CYS 8 H CYS 8 249.874 5.088 -1.299
77 HA CYS 8 HA CYS 8 249.507 2.555 -0.269
78 HB2 CYS 8 1HB CYS 8 249.664 2.875 -2.612
79 HB3 CYS 8 2HB CYS 8 251.269 3.568 -2.486
80 H THR 9 H THR 9 250.469 1.419 1.202
81 HA THR 9 HA THR 9 252.770 2.259 2.595
82 HB THR 9 HB THR 9 251.506 -0.489 2.585
83 HG1 THR 9 HG1 THR 9 250.746 1.959 3.759
84 HG21 THR 9 1HG2 THR 9 252.322 -0.591 4.905
85 HG22 THR 9 2HG2 THR 9 253.112 0.971 4.685
86 HG23 THR 9 3HG2 THR 9 253.643 -0.426 3.748
87 H TYR 10 H TYR 10 252.322 0.270 -0.196
88 HA TYR 10 HA TYR 10 254.939 -0.948 -0.044
89 HB2 TYR 10 1HB TYR 10 252.671 -1.069 -2.005
90 HB3 TYR 10 2HB TYR 10 254.262 -1.673 -2.453
91 HD1 TYR 10 HD1 TYR 10 252.110 -1.918 0.605
92 HD2 TYR 10 HD2 TYR 10 254.389 -3.953 -2.349
93 HE1 TYR 10 HE1 TYR 10 251.621 -4.056 1.711
94 HE2 TYR 10 HE2 TYR 10 253.909 -6.100 -1.252
95 HH TYR 10 HH TYR 10 253.270 -6.952 0.912
96 H CYS 11 H CYS 11 253.579 1.937 -1.250
97 HA CYS 11 HA CYS 11 255.725 2.407 -3.164
98 HB2 CYS 11 1HB CYS 11 253.181 3.805 -2.455
99 HB3 CYS 11 2HB CYS 11 254.463 4.733 -3.216
100 HA PRO 12 HA PRO 12 258.093 4.918 -0.326
101 HB2 PRO 12 1HB PRO 12 258.908 6.680 -2.489
102 HB3 PRO 12 2HB PRO 12 259.870 5.489 -1.616
103 HG2 PRO 12 1HG PRO 12 259.163 5.202 -4.229
104 HG3 PRO 12 2HG PRO 12 259.446 3.832 -3.141
105 HD2 PRO 12 1HD PRO 12 256.860 5.042 -4.033
106 HD3 PRO 12 2HD PRO 12 257.292 3.333 -3.814
107 H SER 13 H SER 13 257.470 6.522 0.949
108 HA SER 13 HA SER 13 255.012 7.757 0.583
109 HB2 SER 13 1HB SER 13 257.172 8.703 2.465
110 HB3 SER 13 2HB SER 13 255.424 8.839 2.668
111 HG SER 13 HG SER 13 256.349 7.098 3.871
112 H LYS 14 H LYS 14 258.224 8.915 -0.210
113 HA LYS 14 HA LYS 14 257.467 11.654 -0.470
114 HB2 LYS 14 1HB LYS 14 259.890 10.056 -1.113
115 HB3 LYS 14 2HB LYS 14 259.694 11.602 -1.922
116 HG2 LYS 14 1HG LYS 14 261.047 11.841 0.069
117 HG3 LYS 14 2HG LYS 14 259.530 12.719 0.244
118 HD2 LYS 14 1HD LYS 14 258.624 10.936 1.616
119 HD3 LYS 14 2HD LYS 14 260.089 9.980 1.376
120 HE2 LYS 14 1HE LYS 14 259.965 12.674 2.727
121 HE3 LYS 14 2HE LYS 14 260.054 11.123 3.559
122 HZ1 LYS 14 1HZ LYS 14 262.225 12.132 3.409
123 HZ2 LYS 14 2HZ LYS 14 262.108 12.241 1.728
124 HZ3 LYS 14 3HZ LYS 14 262.191 10.723 2.472
125 H ILE 15 H ILE 15 256.931 8.944 -2.438
126 HA ILE 15 HA ILE 15 256.841 10.468 -4.907
127 HB ILE 15 HB ILE 15 255.882 7.639 -4.450
128 HG12 ILE 15 1HG1 ILE 15 258.251 7.852 -3.846
129 HG13 ILE 15 2HG1 ILE 15 258.062 6.920 -5.326
130 HG21 ILE 15 1HG2 ILE 15 255.043 8.741 -6.494
131 HG22 ILE 15 2HG2 ILE 15 256.113 7.383 -6.845
132 HG23 ILE 15 3HG2 ILE 15 256.710 9.035 -6.993
133 HD11 ILE 15 1HD1 ILE 15 259.939 8.431 -5.493
134 HD12 ILE 15 2HD1 ILE 15 258.896 9.806 -5.131
135 HD13 ILE 15 3HD1 ILE 15 258.676 8.903 -6.629
136 H ARG 16 H ARG 16 254.827 9.686 -2.313
137 HA ARG 16 HA ARG 16 252.733 10.279 -1.708
138 HB2 ARG 16 1HB ARG 16 253.032 12.280 -3.952
139 HB3 ARG 16 2HB ARG 16 251.831 12.354 -2.669
140 HG2 ARG 16 1HG ARG 16 254.810 12.449 -2.234
141 HG3 ARG 16 2HG ARG 16 253.757 13.862 -2.318
142 HD2 ARG 16 1HD ARG 16 252.590 13.211 -0.347
143 HD3 ARG 16 2HD ARG 16 253.356 11.624 -0.344
144 HE ARG 16 HE ARG 16 255.423 13.424 -0.184
145 HH11 ARG 16 1HH1 ARG 16 252.570 12.745 1.730
146 HH12 ARG 16 2HH1 ARG 16 253.318 13.179 3.230
147 HH21 ARG 16 1HH2 ARG 16 256.413 13.980 1.790
148 HH22 ARG 16 2HH2 ARG 16 255.502 13.878 3.263
149 H ARG 17 H ARG 17 252.785 8.062 -3.396
150 HA ARG 17 HA ARG 17 250.684 8.404 -5.350
151 HB2 ARG 17 1HB ARG 17 252.146 5.937 -4.399
152 HB3 ARG 17 2HB ARG 17 250.889 5.917 -5.628
153 HG2 ARG 17 1HG ARG 17 252.265 7.467 -6.989
154 HG3 ARG 17 2HG ARG 17 253.543 7.325 -5.781
155 HD2 ARG 17 1HD ARG 17 253.567 4.878 -6.160
156 HD3 ARG 17 2HD ARG 17 252.379 5.097 -7.445
157 HE ARG 17 HE ARG 17 254.249 6.682 -8.352
158 HH11 ARG 17 1HH1 ARG 17 254.632 3.558 -6.815
159 HH12 ARG 17 2HH1 ARG 17 256.096 3.177 -7.669
160 HH21 ARG 17 1HH2 ARG 17 256.193 6.187 -9.460
161 HH22 ARG 17 2HH2 ARG 17 256.978 4.667 -9.174
162 H LYS 18 H LYS 18 248.628 8.321 -4.924
163 HA LYS 18 HA LYS 18 247.589 7.904 -2.338
164 HB2 LYS 18 1HB LYS 18 246.114 7.851 -4.979
165 HB3 LYS 18 2HB LYS 18 245.393 8.091 -3.396
166 HG2 LYS 18 1HG LYS 18 247.434 9.966 -4.552
167 HG3 LYS 18 2HG LYS 18 245.701 10.148 -4.820
168 HD2 LYS 18 1HD LYS 18 245.413 10.193 -2.333
169 HD3 LYS 18 2HD LYS 18 247.173 10.237 -2.192
170 HE2 LYS 18 1HE LYS 18 247.225 12.296 -3.511
171 HE3 LYS 18 2HE LYS 18 245.471 12.253 -3.652
172 HZ1 LYS 18 1HZ LYS 18 246.037 13.760 -1.932
173 HZ2 LYS 18 2HZ LYS 18 247.064 12.647 -1.182
174 HZ3 LYS 18 3HZ LYS 18 245.390 12.387 -1.186
175 H ALA 19 H ALA 19 246.597 6.169 -1.402
176 HA ALA 19 HA ALA 19 246.816 3.612 -2.811
177 HB1 ALA 19 1HB ALA 19 246.532 2.566 -0.667
178 HB2 ALA 19 2HB ALA 19 246.142 4.115 0.082
179 HB3 ALA 19 3HB ALA 19 247.767 3.817 -0.533
180 H ASN 20 H ASN 20 245.072 3.445 -4.126
181 HA ASN 20 HA ASN 20 242.448 4.252 -3.197
182 HB2 ASN 20 1HB ASN 20 243.438 3.129 -5.817
183 HB3 ASN 20 2HB ASN 20 241.730 3.387 -5.486
184 HD21 ASN 20 1HD2 ASN 20 244.830 4.958 -5.913
185 HD22 ASN 20 2HD2 ASN 20 244.193 6.534 -6.230
186 H ALA 21 H ALA 21 244.265 1.642 -2.610
187 HA ALA 21 HA ALA 21 241.901 -0.024 -2.174
188 HB1 ALA 21 1HB ALA 21 242.876 -0.877 -4.218
189 HB2 ALA 21 2HB ALA 21 243.147 -2.027 -2.908
190 HB3 ALA 21 3HB ALA 21 244.459 -0.982 -3.452
191 H SER 22 H SER 22 242.329 -1.756 -0.596
192 HA SER 22 HA SER 22 244.652 -1.383 1.100
193 HB2 SER 22 1HB SER 22 242.924 0.203 1.964
194 HB3 SER 22 2HB SER 22 241.846 -1.165 2.221
195 HG SER 22 HG SER 22 244.414 -1.263 3.333
196 H CYS 23 H CYS 23 245.291 -3.243 2.006
197 HA CYS 23 HA CYS 23 244.163 -5.666 1.054
198 HB2 CYS 23 1HB CYS 23 246.574 -5.367 1.473
199 HB3 CYS 23 2HB CYS 23 246.245 -5.212 3.195
200 H LYS 24 H LYS 24 242.582 -6.783 1.853
201 HA LYS 24 HA LYS 24 240.935 -5.788 3.858
202 HB2 LYS 24 1HB LYS 24 240.971 -8.612 2.793
203 HB3 LYS 24 2HB LYS 24 239.610 -7.787 3.537
204 HG2 LYS 24 1HG LYS 24 240.910 -6.922 0.960
205 HG3 LYS 24 2HG LYS 24 239.478 -7.945 1.062
206 HD2 LYS 24 1HD LYS 24 238.232 -6.191 2.129
207 HD3 LYS 24 2HD LYS 24 239.674 -5.183 2.252
208 HE2 LYS 24 1HE LYS 24 238.156 -4.530 0.399
209 HE3 LYS 24 2HE LYS 24 239.784 -4.942 -0.131
210 HZ1 LYS 24 1HZ LYS 24 239.067 -6.955 -1.023
211 HZ2 LYS 24 2HZ LYS 24 237.840 -5.868 -1.453
212 HZ3 LYS 24 3HZ LYS 24 237.604 -6.935 -0.166
213 H LYS 25 H LYS 25 243.455 -8.244 4.066
214 HA LYS 25 HA LYS 25 242.486 -9.245 6.577
215 HB2 LYS 25 1HB LYS 25 243.686 -10.662 4.905
216 HB3 LYS 25 2HB LYS 25 245.161 -9.787 5.291
217 HG2 LYS 25 1HG LYS 25 245.005 -10.547 7.610
218 HG3 LYS 25 2HG LYS 25 243.532 -11.433 7.218
219 HD2 LYS 25 1HD LYS 25 244.802 -12.791 5.608
220 HD3 LYS 25 2HD LYS 25 246.271 -11.918 6.046
221 HE2 LYS 25 1HE LYS 25 244.590 -13.611 7.895
222 HE3 LYS 25 2HE LYS 25 246.142 -14.069 7.197
223 HZ1 LYS 25 1HZ LYS 25 245.630 -11.893 9.149
224 HZ2 LYS 25 2HZ LYS 25 247.111 -12.123 8.372
225 HZ3 LYS 25 3HZ LYS 25 246.510 -13.314 9.408
226 H CYS 26 H CYS 26 245.346 -7.319 5.618
227 HA CYS 26 HA CYS 26 245.996 -7.049 8.458
228 HB2 CYS 26 1HB CYS 26 248.200 -6.273 7.716
229 HB3 CYS 26 2HB CYS 26 247.799 -7.837 7.018
230 H LYS 27 H LYS 27 244.470 -5.311 6.024
231 HA LYS 27 HA LYS 27 243.545 -3.259 5.963
232 HB2 LYS 27 1HB LYS 27 244.514 -3.087 8.813
233 HB3 LYS 27 2HB LYS 27 243.506 -1.872 8.040
234 HG2 LYS 27 1HG LYS 27 241.760 -3.559 7.679
235 HG3 LYS 27 2HG LYS 27 242.771 -4.760 8.482
236 HD2 LYS 27 1HD LYS 27 241.102 -3.886 10.016
237 HD3 LYS 27 2HD LYS 27 242.722 -3.421 10.535
238 HE2 LYS 27 1HE LYS 27 242.407 -1.206 9.557
239 HE3 LYS 27 2HE LYS 27 240.797 -1.670 9.007
240 HZ1 LYS 27 1HZ LYS 27 240.718 -0.386 11.055
241 HZ2 LYS 27 2HZ LYS 27 241.675 -1.537 11.838
242 HZ3 LYS 27 3HZ LYS 27 240.128 -1.951 11.303
243 H LYS 28 H LYS 28 246.563 -3.771 5.527
244 HA LYS 28 HA LYS 28 247.623 -1.089 5.691
245 HB2 LYS 28 1HB LYS 28 248.607 -3.583 4.290
246 HB3 LYS 28 2HB LYS 28 249.445 -2.040 4.209
247 HG2 LYS 28 1HG LYS 28 249.756 -2.069 6.626
248 HG3 LYS 28 2HG LYS 28 248.897 -3.611 6.721
249 HD2 LYS 28 1HD LYS 28 250.597 -4.668 5.349
250 HD3 LYS 28 2HD LYS 28 251.431 -3.127 5.155
251 HE2 LYS 28 1HE LYS 28 251.817 -3.051 7.579
252 HE3 LYS 28 2HE LYS 28 251.013 -4.609 7.749
253 HZ1 LYS 28 1HZ LYS 28 253.476 -4.125 6.160
254 HZ2 LYS 28 2HZ LYS 28 252.719 -5.621 6.401
255 HZ3 LYS 28 3HZ LYS 28 253.431 -4.814 7.704
256 H VAL 29 H VAL 29 248.025 0.270 3.856
257 HA VAL 29 HA VAL 29 245.939 -0.101 1.842
258 HB VAL 29 HB VAL 29 246.268 2.308 1.332
259 HG11 VAL 29 1HG1 VAL 29 245.600 1.596 4.180
260 HG12 VAL 29 2HG1 VAL 29 244.494 1.605 2.807
261 HG13 VAL 29 3HG1 VAL 29 245.185 3.118 3.392
262 HG21 VAL 29 1HG2 VAL 29 247.522 3.701 2.887
263 HG22 VAL 29 2HG2 VAL 29 248.581 2.527 2.108
264 HG23 VAL 29 3HG2 VAL 29 248.047 2.265 3.767
265 H ILE 30 H ILE 30 246.323 -0.021 -0.331
266 HA ILE 30 HA ILE 30 249.122 -0.036 -1.204
267 HB ILE 30 HB ILE 30 248.581 -2.075 -2.618
268 HG12 ILE 30 1HG1 ILE 30 246.315 -2.317 -0.624
269 HG13 ILE 30 2HG1 ILE 30 246.129 -1.967 -2.336
270 HG21 ILE 30 1HG2 ILE 30 248.659 -2.412 0.380
271 HG22 ILE 30 2HG2 ILE 30 250.052 -2.185 -0.681
272 HG23 ILE 30 3HG2 ILE 30 249.076 -3.651 -0.805
273 HD11 ILE 30 1HD1 ILE 30 245.647 -4.307 -1.736
274 HD12 ILE 30 2HD1 ILE 30 247.328 -4.494 -1.231
275 HD13 ILE 30 3HD1 ILE 30 246.944 -4.142 -2.916
276 H CYS 31 H CYS 31 249.397 0.329 -3.448
277 HA CYS 31 HA CYS 31 247.167 1.741 -4.671
278 HB2 CYS 31 1HB CYS 31 248.756 2.626 -6.237
279 HB3 CYS 31 2HB CYS 31 249.495 2.725 -4.647
280 H ARG 32 H ARG 32 246.373 1.226 -6.718
281 HA ARG 32 HA ARG 32 246.039 -1.552 -7.161
282 HB2 ARG 32 1HB ARG 32 245.229 0.857 -8.791
283 HB3 ARG 32 2HB ARG 32 244.734 -0.788 -9.165
284 HG2 ARG 32 1HG ARG 32 244.166 0.524 -6.524
285 HG3 ARG 32 2HG ARG 32 243.070 0.617 -7.904
286 HD2 ARG 32 1HD ARG 32 244.044 -1.955 -6.663
287 HD3 ARG 32 2HD ARG 32 242.506 -1.188 -6.283
288 HE ARG 32 HE ARG 32 242.892 -1.675 -9.090
289 HH11 ARG 32 1HH1 ARG 32 241.828 -3.092 -6.075
290 HH12 ARG 32 2HH1 ARG 32 240.751 -4.221 -6.836
291 HH21 ARG 32 1HH2 ARG 32 241.488 -3.144 -10.102
292 HH22 ARG 32 2HH2 ARG 32 240.552 -4.247 -9.138
293 H GLU 33 H GLU 33 248.496 0.505 -8.055
294 HA GLU 33 HA GLU 33 249.195 -0.905 -10.492
295 HB2 GLU 33 1HB GLU 33 250.542 1.324 -8.966
296 HB3 GLU 33 2HB GLU 33 251.223 0.591 -10.411
297 HG2 GLU 33 1HG GLU 33 248.559 1.981 -10.267
298 HG3 GLU 33 2HG GLU 33 250.052 2.696 -10.873
299 H HIS 34 H HIS 34 249.807 -1.060 -7.113
300 HA HIS 34 HA HIS 34 252.238 -2.634 -7.481
301 HB2 HIS 34 1HB HIS 34 251.065 -1.132 -5.266
302 HB3 HIS 34 2HB HIS 34 251.619 -2.730 -4.776
303 HD2 HIS 34 HD2 HIS 34 254.292 -2.754 -6.736
304 HE1 HIS 34 HE1 HIS 34 255.374 0.564 -4.352
305 HE2 HIS 34 HE2 HIS 34 256.243 -1.324 -5.808
306 H ASN 35 H ASN 35 249.107 -3.008 -5.845
307 HA ASN 35 HA ASN 35 249.276 -5.897 -6.375
308 HB2 ASN 35 1HB ASN 35 248.791 -4.509 -3.763
309 HB3 ASN 35 2HB ASN 35 248.007 -6.050 -4.066
310 HD21 ASN 35 1HD2 ASN 35 251.178 -5.355 -5.368
311 HD22 ASN 35 2HD2 ASN 35 252.048 -6.406 -4.308
312 H ILE 36 H ILE 36 246.864 -6.730 -5.457
313 HA ILE 36 HA ILE 36 245.059 -5.282 -7.220
314 HB ILE 36 HB ILE 36 245.068 -7.564 -7.706
315 HG12 ILE 36 1HG1 ILE 36 242.767 -8.371 -7.115
316 HG13 ILE 36 2HG1 ILE 36 242.612 -6.971 -6.058
317 HG21 ILE 36 1HG2 ILE 36 244.608 -9.354 -6.048
318 HG22 ILE 36 2HG2 ILE 36 244.774 -8.150 -4.775
319 HG23 ILE 36 3HG2 ILE 36 246.138 -8.511 -5.824
320 HD11 ILE 36 1HD1 ILE 36 243.086 -6.876 -9.027
321 HD12 ILE 36 2HD1 ILE 36 242.879 -5.488 -7.959
322 HD13 ILE 36 3HD1 ILE 36 241.543 -6.611 -8.216
323 H ASP 37 H ASP 37 243.771 -7.023 -4.437
324 HA ASP 37 HA ASP 37 243.337 -4.484 -3.029
325 HB2 ASP 37 1HB ASP 37 241.076 -5.068 -2.480
326 HB3 ASP 37 2HB ASP 37 241.243 -5.272 -4.220
327 H MET 38 H MET 38 245.162 -6.844 -2.919
328 HA MET 38 HA MET 38 245.032 -7.321 -0.074
329 HB2 MET 38 1HB MET 38 243.641 -9.137 -0.990
330 HB3 MET 38 2HB MET 38 244.947 -9.595 -2.072
331 HG2 MET 38 1HG MET 38 246.328 -10.237 -0.198
332 HG3 MET 38 2HG MET 38 245.099 -9.678 0.934
333 HE1 MET 38 1HE MET 38 244.519 -13.272 -1.904
334 HE2 MET 38 2HE MET 38 245.984 -12.293 -1.851
335 HE3 MET 38 3HE MET 38 244.481 -11.597 -2.453
336 H CYS 39 H CYS 39 247.042 -7.553 0.760
337 HA CYS 39 HA CYS 39 249.250 -7.105 -1.050
338 HB2 CYS 39 1HB CYS 39 250.465 -6.410 0.796
339 HB3 CYS 39 2HB CYS 39 248.828 -6.047 1.328
340 H GLN 40 H GLN 40 251.221 -8.416 -0.904
341 HA GLN 40 HA GLN 40 250.469 -11.160 -1.261
342 HB2 GLN 40 1HB GLN 40 253.155 -9.811 -1.526
343 HB3 GLN 40 2HB GLN 40 252.802 -11.464 -2.010
344 HG2 GLN 40 1HG GLN 40 251.096 -10.578 -3.581
345 HG3 GLN 40 2HG GLN 40 251.625 -8.950 -3.166
346 HE21 GLN 40 1HE2 GLN 40 253.643 -8.232 -3.878
347 HE22 GLN 40 2HE2 GLN 40 254.519 -9.052 -5.123
348 H SER 41 H SER 41 251.014 -9.621 1.489
349 HA SER 41 HA SER 41 252.512 -11.832 2.708
350 HB2 SER 41 1HB SER 41 251.935 -9.046 3.734
351 HB3 SER 41 2HB SER 41 252.784 -10.293 4.649
352 HG SER 41 HG SER 41 254.387 -10.308 3.040
353 H CYS 42 H CYS 42 249.517 -11.442 1.941
354 HA CYS 42 HA CYS 42 248.530 -12.560 4.474
355 HB2 CYS 42 1HB CYS 42 247.133 -10.614 2.644
356 HB3 CYS 42 2HB CYS 42 246.271 -11.587 3.832
357 H PHE 43 H PHE 43 247.208 -14.303 4.346
358 HA PHE 43 HA PHE 43 246.344 -16.228 3.549
359 HB2 PHE 43 1HB PHE 43 245.589 -14.364 1.303
360 HB3 PHE 43 2HB PHE 43 245.081 -16.047 1.347
361 HD1 PHE 43 HD1 PHE 43 243.599 -16.839 3.157
362 HD2 PHE 43 HD2 PHE 43 244.528 -12.716 2.653
363 HE1 PHE 43 HE1 PHE 43 241.666 -16.237 4.554
364 HE2 PHE 43 HE2 PHE 43 242.595 -12.108 4.049
365 HZ PHE 43 HZ PHE 43 241.164 -13.871 5.001
Start of MODEL 20
1 H1 VAL 1 1H VAL 1 245.368 13.105 11.203
2 H2 VAL 1 2H VAL 1 245.324 13.527 12.839
3 H3 VAL 1 3H VAL 1 246.236 12.198 12.334
4 HA VAL 1 HA VAL 1 246.744 15.030 11.628
5 HB VAL 1 HB VAL 1 248.408 13.172 13.344
6 HG11 VAL 1 1HG1 VAL 1 249.705 15.179 13.862
7 HG12 VAL 1 2HG1 VAL 1 248.697 16.118 12.759
8 HG13 VAL 1 3HG1 VAL 1 249.725 14.827 12.134
9 HG21 VAL 1 1HG2 VAL 1 246.665 15.487 14.186
10 HG22 VAL 1 2HG2 VAL 1 247.747 14.575 15.239
11 HG23 VAL 1 3HG2 VAL 1 246.353 13.781 14.508
12 H MET 2 H MET 2 247.771 11.645 11.378
13 HA MET 2 HA MET 2 249.416 12.385 9.048
14 HB2 MET 2 1HB MET 2 249.612 9.908 10.778
15 HB3 MET 2 2HB MET 2 250.675 10.323 9.441
16 HG2 MET 2 1HG MET 2 250.401 11.809 12.045
17 HG3 MET 2 2HG MET 2 251.749 10.786 11.550
18 HE1 MET 2 1HE MET 2 253.458 12.716 12.130
19 HE2 MET 2 2HE MET 2 252.128 13.761 12.633
20 HE3 MET 2 3HE MET 2 253.338 14.359 11.499
21 H LYS 3 H LYS 3 248.671 11.764 7.113
22 HA LYS 3 HA LYS 3 246.426 9.925 6.965
23 HB2 LYS 3 1HB LYS 3 247.834 11.486 4.793
24 HB3 LYS 3 2HB LYS 3 246.404 10.495 4.555
25 HG2 LYS 3 1HG LYS 3 245.189 11.962 6.147
26 HG3 LYS 3 2HG LYS 3 246.615 13.002 6.205
27 HD2 LYS 3 1HD LYS 3 246.459 13.303 3.765
28 HD3 LYS 3 2HD LYS 3 244.994 12.322 3.754
29 HE2 LYS 3 1HE LYS 3 244.402 14.660 3.710
30 HE3 LYS 3 2HE LYS 3 243.925 13.961 5.256
31 HZ1 LYS 3 1HZ LYS 3 246.377 15.565 4.781
32 HZ2 LYS 3 2HZ LYS 3 245.889 14.923 6.265
33 HZ3 LYS 3 3HZ LYS 3 244.966 16.127 5.523
34 H LYS 4 H LYS 4 247.911 8.210 7.795
35 HA LYS 4 HA LYS 4 249.840 7.143 5.939
36 HB2 LYS 4 1HB LYS 4 248.753 6.044 8.532
37 HB3 LYS 4 2HB LYS 4 250.043 5.300 7.598
38 HG2 LYS 4 1HG LYS 4 250.118 8.005 8.915
39 HG3 LYS 4 2HG LYS 4 250.963 6.549 9.443
40 HD2 LYS 4 1HD LYS 4 252.150 6.549 7.234
41 HD3 LYS 4 2HD LYS 4 251.427 8.127 6.918
42 HE2 LYS 4 1HE LYS 4 253.650 8.446 7.770
43 HE3 LYS 4 2HE LYS 4 252.492 8.978 8.987
44 HZ1 LYS 4 1HZ LYS 4 253.827 6.327 8.981
45 HZ2 LYS 4 2HZ LYS 4 252.823 6.949 10.193
46 HZ3 LYS 4 3HZ LYS 4 254.332 7.654 9.901
47 H ARG 5 H ARG 5 246.553 6.467 6.922
48 HA ARG 5 HA ARG 5 246.471 3.999 5.390
49 HB2 ARG 5 1HB ARG 5 244.226 5.387 6.859
50 HB3 ARG 5 2HB ARG 5 244.222 3.736 6.259
51 HG2 ARG 5 1HG ARG 5 246.035 4.792 8.417
52 HG3 ARG 5 2HG ARG 5 244.559 3.867 8.684
53 HD2 ARG 5 1HD ARG 5 245.508 1.950 7.563
54 HD3 ARG 5 2HD ARG 5 246.948 2.874 7.130
55 HE ARG 5 HE ARG 5 246.875 3.056 9.829
56 HH11 ARG 5 1HH1 ARG 5 246.715 0.320 7.650
57 HH12 ARG 5 2HH1 ARG 5 247.561 -0.742 8.729
58 HH21 ARG 5 1HH2 ARG 5 247.972 1.651 11.249
59 HH22 ARG 5 2HH2 ARG 5 248.273 0.012 10.773
60 H THR 6 H THR 6 246.698 6.851 4.285
61 HA THR 6 HA THR 6 244.444 6.728 2.402
62 HB THR 6 HB THR 6 246.329 9.035 2.932
63 HG1 THR 6 HG1 THR 6 243.612 9.013 3.680
64 HG21 THR 6 1HG2 THR 6 243.729 8.908 1.400
65 HG22 THR 6 2HG2 THR 6 245.338 9.077 0.696
66 HG23 THR 6 3HG2 THR 6 244.677 10.365 1.705
67 H TYR 7 H TYR 7 247.871 6.524 2.745
68 HA TYR 7 HA TYR 7 248.202 6.476 -0.172
69 HB2 TYR 7 1HB TYR 7 250.132 7.262 2.009
70 HB3 TYR 7 2HB TYR 7 250.634 6.963 0.349
71 HD1 TYR 7 HD1 TYR 7 248.763 9.209 2.563
72 HD2 TYR 7 HD2 TYR 7 250.092 8.513 -1.415
73 HE1 TYR 7 HE1 TYR 7 248.202 11.528 1.978
74 HE2 TYR 7 HE2 TYR 7 249.543 10.830 -2.012
75 HH TYR 7 HH TYR 7 248.180 12.654 -1.280
76 H CYS 8 H CYS 8 249.371 4.884 -1.108
77 HA CYS 8 HA CYS 8 249.030 2.313 -0.137
78 HB2 CYS 8 1HB CYS 8 249.267 2.717 -2.473
79 HB3 CYS 8 2HB CYS 8 250.860 3.423 -2.255
80 H THR 9 H THR 9 249.986 1.233 1.389
81 HA THR 9 HA THR 9 252.263 2.122 2.792
82 HB THR 9 HB THR 9 251.001 -0.628 2.786
83 HG1 THR 9 HG1 THR 9 250.230 1.834 3.835
84 HG21 THR 9 1HG2 THR 9 253.171 -0.599 3.899
85 HG22 THR 9 2HG2 THR 9 251.872 -0.773 5.081
86 HG23 THR 9 3HG2 THR 9 252.671 0.786 4.869
87 H TYR 10 H TYR 10 251.859 0.045 0.043
88 HA TYR 10 HA TYR 10 254.474 -1.147 0.227
89 HB2 TYR 10 1HB TYR 10 252.202 -1.297 -1.702
90 HB3 TYR 10 2HB TYR 10 253.798 -1.824 -2.226
91 HD1 TYR 10 HD1 TYR 10 254.093 -4.082 -2.134
92 HD2 TYR 10 HD2 TYR 10 251.724 -2.224 0.865
93 HE1 TYR 10 HE1 TYR 10 253.771 -6.260 -1.049
94 HE2 TYR 10 HE2 TYR 10 251.391 -4.395 1.960
95 HH TYR 10 HH TYR 10 253.252 -7.099 1.250
96 H CYS 11 H CYS 11 253.195 1.754 -0.996
97 HA CYS 11 HA CYS 11 255.370 2.176 -2.879
98 HB2 CYS 11 1HB CYS 11 252.883 3.658 -2.148
99 HB3 CYS 11 2HB CYS 11 254.211 4.555 -2.872
100 HA PRO 12 HA PRO 12 258.009 4.200 0.106
101 HB2 PRO 12 1HB PRO 12 258.945 5.821 -2.171
102 HB3 PRO 12 2HB PRO 12 259.860 4.744 -1.115
103 HG2 PRO 12 1HG PRO 12 259.302 4.114 -3.677
104 HG3 PRO 12 2HG PRO 12 259.420 2.890 -2.400
105 HD2 PRO 12 1HD PRO 12 257.001 4.046 -3.706
106 HD3 PRO 12 2HD PRO 12 257.295 2.395 -3.121
107 H SER 13 H SER 13 257.837 6.043 1.283
108 HA SER 13 HA SER 13 255.465 7.492 1.030
109 HB2 SER 13 1HB SER 13 257.883 8.231 2.683
110 HB3 SER 13 2HB SER 13 256.218 8.742 2.959
111 HG SER 13 HG SER 13 256.034 7.000 4.100
112 H LYS 14 H LYS 14 258.612 8.142 -0.274
113 HA LYS 14 HA LYS 14 258.110 10.928 -0.782
114 HB2 LYS 14 1HB LYS 14 260.258 9.046 -1.751
115 HB3 LYS 14 2HB LYS 14 260.188 10.745 -2.194
116 HG2 LYS 14 1HG LYS 14 260.409 9.711 0.621
117 HG3 LYS 14 2HG LYS 14 261.755 10.296 -0.357
118 HD2 LYS 14 1HD LYS 14 260.558 12.474 -0.564
119 HD3 LYS 14 2HD LYS 14 259.358 11.868 0.576
120 HE2 LYS 14 1HE LYS 14 261.054 11.626 2.285
121 HE3 LYS 14 2HE LYS 14 262.308 12.116 1.147
122 HZ1 LYS 14 1HZ LYS 14 261.707 13.964 2.531
123 HZ2 LYS 14 2HZ LYS 14 260.073 13.799 2.133
124 HZ3 LYS 14 3HZ LYS 14 261.185 14.272 0.953
125 H ILE 15 H ILE 15 257.137 8.056 -2.259
126 HA ILE 15 HA ILE 15 256.965 9.170 -4.940
127 HB ILE 15 HB ILE 15 255.982 6.525 -3.847
128 HG12 ILE 15 1HG1 ILE 15 258.428 6.745 -3.809
129 HG13 ILE 15 2HG1 ILE 15 257.916 5.564 -5.009
130 HG21 ILE 15 1HG2 ILE 15 255.654 5.832 -6.127
131 HG22 ILE 15 2HG2 ILE 15 256.254 7.379 -6.722
132 HG23 ILE 15 3HG2 ILE 15 254.734 7.308 -5.835
133 HD11 ILE 15 1HD1 ILE 15 258.218 7.267 -6.761
134 HD12 ILE 15 2HD1 ILE 15 259.705 6.908 -5.883
135 HD13 ILE 15 3HD1 ILE 15 258.811 8.386 -5.534
136 H ARG 16 H ARG 16 254.900 8.486 -2.188
137 HA ARG 16 HA ARG 16 252.786 9.119 -1.650
138 HB2 ARG 16 1HB ARG 16 253.461 11.323 -3.593
139 HB3 ARG 16 2HB ARG 16 252.019 11.316 -2.589
140 HG2 ARG 16 1HG ARG 16 253.450 11.250 -0.585
141 HG3 ARG 16 2HG ARG 16 254.871 11.352 -1.628
142 HD2 ARG 16 1HD ARG 16 254.095 13.501 -2.483
143 HD3 ARG 16 2HD ARG 16 252.658 13.393 -1.469
144 HE ARG 16 HE ARG 16 255.072 13.195 0.047
145 HH11 ARG 16 1HH1 ARG 16 252.888 15.458 -1.496
146 HH12 ARG 16 2HH1 ARG 16 253.315 16.774 -0.450
147 HH21 ARG 16 1HH2 ARG 16 255.624 14.927 1.432
148 HH22 ARG 16 2HH2 ARG 16 254.858 16.468 1.221
149 H ARG 17 H ARG 17 252.187 7.092 -2.820
150 HA ARG 17 HA ARG 17 250.452 7.716 -5.103
151 HB2 ARG 17 1HB ARG 17 251.774 5.167 -4.235
152 HB3 ARG 17 2HB ARG 17 250.346 5.124 -5.260
153 HG2 ARG 17 1HG ARG 17 252.833 6.663 -5.953
154 HG3 ARG 17 2HG ARG 17 252.545 4.999 -6.459
155 HD2 ARG 17 1HD ARG 17 250.774 7.359 -7.105
156 HD3 ARG 17 2HD ARG 17 251.940 6.631 -8.204
157 HE ARG 17 HE ARG 17 250.562 4.535 -7.955
158 HH11 ARG 17 1HH1 ARG 17 249.141 7.722 -7.540
159 HH12 ARG 17 2HH1 ARG 17 247.565 7.217 -8.055
160 HH21 ARG 17 1HH2 ARG 17 248.491 3.879 -8.623
161 HH22 ARG 17 2HH2 ARG 17 247.192 5.042 -8.659
162 H LYS 18 H LYS 18 248.424 8.063 -4.593
163 HA LYS 18 HA LYS 18 247.305 7.412 -2.087
164 HB2 LYS 18 1HB LYS 18 246.070 8.305 -4.683
165 HB3 LYS 18 2HB LYS 18 245.080 7.905 -3.289
166 HG2 LYS 18 1HG LYS 18 245.297 10.192 -3.110
167 HG3 LYS 18 2HG LYS 18 246.568 9.611 -2.038
168 HD2 LYS 18 1HD LYS 18 247.500 11.374 -3.324
169 HD3 LYS 18 2HD LYS 18 248.165 9.872 -3.962
170 HE2 LYS 18 1HE LYS 18 247.545 11.338 -5.784
171 HE3 LYS 18 2HE LYS 18 246.495 9.924 -5.771
172 HZ1 LYS 18 1HZ LYS 18 245.206 11.897 -6.150
173 HZ2 LYS 18 2HZ LYS 18 245.817 12.629 -4.755
174 HZ3 LYS 18 3HZ LYS 18 244.812 11.277 -4.627
175 H ALA 19 H ALA 19 246.189 5.703 -1.389
176 HA ALA 19 HA ALA 19 246.302 3.326 -3.047
177 HB1 ALA 19 1HB ALA 19 245.743 2.126 -1.010
178 HB2 ALA 19 2HB ALA 19 245.469 3.655 -0.172
179 HB3 ALA 19 3HB ALA 19 247.087 3.235 -0.733
180 H ASN 20 H ASN 20 244.655 2.996 -4.403
181 HA ASN 20 HA ASN 20 241.951 3.732 -3.586
182 HB2 ASN 20 1HB ASN 20 243.118 2.863 -6.225
183 HB3 ASN 20 2HB ASN 20 241.382 2.926 -5.956
184 HD21 ASN 20 1HD2 ASN 20 244.298 4.790 -6.272
185 HD22 ASN 20 2HD2 ASN 20 243.534 6.326 -6.470
186 H ALA 21 H ALA 21 243.909 1.228 -3.078
187 HA ALA 21 HA ALA 21 241.647 -0.625 -2.829
188 HB1 ALA 21 1HB ALA 21 242.932 -1.390 -4.736
189 HB2 ALA 21 2HB ALA 21 243.164 -2.502 -3.385
190 HB3 ALA 21 3HB ALA 21 244.419 -1.332 -3.792
191 H SER 22 H SER 22 242.130 -2.349 -1.188
192 HA SER 22 HA SER 22 244.078 -1.546 0.824
193 HB2 SER 22 1HB SER 22 241.152 -1.912 1.504
194 HB3 SER 22 2HB SER 22 242.446 -1.432 2.603
195 HG SER 22 HG SER 22 242.488 0.262 0.580
196 H CYS 23 H CYS 23 244.505 -3.191 2.383
197 HA CYS 23 HA CYS 23 243.626 -5.873 1.567
198 HB2 CYS 23 1HB CYS 23 246.080 -5.436 1.668
199 HB3 CYS 23 2HB CYS 23 245.913 -5.065 3.379
200 H LYS 24 H LYS 24 241.738 -6.244 2.632
201 HA LYS 24 HA LYS 24 241.092 -5.043 5.116
202 HB2 LYS 24 1HB LYS 24 239.065 -6.378 5.057
203 HB3 LYS 24 2HB LYS 24 239.383 -5.688 3.474
204 HG2 LYS 24 1HG LYS 24 240.177 -7.800 2.652
205 HG3 LYS 24 2HG LYS 24 240.060 -8.513 4.261
206 HD2 LYS 24 1HD LYS 24 238.156 -9.212 2.981
207 HD3 LYS 24 2HD LYS 24 237.613 -8.070 4.207
208 HE2 LYS 24 1HE LYS 24 236.524 -7.597 2.100
209 HE3 LYS 24 2HE LYS 24 237.619 -6.282 2.521
210 HZ1 LYS 24 1HZ LYS 24 237.782 -6.887 0.186
211 HZ2 LYS 24 2HZ LYS 24 238.218 -8.465 0.599
212 HZ3 LYS 24 3HZ LYS 24 239.242 -7.177 0.984
213 H LYS 25 H LYS 25 243.009 -7.697 4.400
214 HA LYS 25 HA LYS 25 242.393 -9.314 6.672
215 HB2 LYS 25 1HB LYS 25 244.826 -9.307 4.881
216 HB3 LYS 25 2HB LYS 25 244.445 -10.547 6.066
217 HG2 LYS 25 1HG LYS 25 242.762 -9.857 3.665
218 HG3 LYS 25 2HG LYS 25 243.865 -11.229 3.789
219 HD2 LYS 25 1HD LYS 25 242.545 -12.110 5.658
220 HD3 LYS 25 2HD LYS 25 241.439 -10.742 5.520
221 HE2 LYS 25 1HE LYS 25 240.848 -11.445 3.258
222 HE3 LYS 25 2HE LYS 25 241.964 -12.804 3.382
223 HZ1 LYS 25 1HZ LYS 25 239.688 -13.481 3.811
224 HZ2 LYS 25 2HZ LYS 25 239.570 -12.376 5.084
225 HZ3 LYS 25 3HZ LYS 25 240.638 -13.682 5.195
226 H CYS 26 H CYS 26 244.455 -6.568 6.131
227 HA CYS 26 HA CYS 26 245.363 -6.773 8.917
228 HB2 CYS 26 1HB CYS 26 247.641 -6.141 8.280
229 HB3 CYS 26 2HB CYS 26 247.165 -7.655 7.514
230 H LYS 27 H LYS 27 243.984 -4.939 6.514
231 HA LYS 27 HA LYS 27 243.185 -2.841 6.443
232 HB2 LYS 27 1HB LYS 27 244.306 -2.689 9.233
233 HB3 LYS 27 2HB LYS 27 243.435 -1.363 8.477
234 HG2 LYS 27 1HG LYS 27 242.338 -4.127 8.981
235 HG3 LYS 27 2HG LYS 27 241.986 -2.687 9.937
236 HD2 LYS 27 1HD LYS 27 241.318 -3.089 7.018
237 HD3 LYS 27 2HD LYS 27 240.181 -3.165 8.362
238 HE2 LYS 27 1HE LYS 27 240.542 -0.837 8.862
239 HE3 LYS 27 2HE LYS 27 241.812 -0.734 7.647
240 HZ1 LYS 27 1HZ LYS 27 240.194 -1.140 5.932
241 HZ2 LYS 27 2HZ LYS 27 239.699 0.177 6.873
242 HZ3 LYS 27 3HZ LYS 27 238.965 -1.331 7.077
243 H LYS 28 H LYS 28 246.054 -3.586 5.739
244 HA LYS 28 HA LYS 28 247.238 -0.923 5.659
245 HB2 LYS 28 1HB LYS 28 248.165 -3.516 4.396
246 HB3 LYS 28 2HB LYS 28 249.058 -2.005 4.373
247 HG2 LYS 28 1HG LYS 28 249.295 -2.079 6.785
248 HG3 LYS 28 2HG LYS 28 248.335 -3.560 6.850
249 HD2 LYS 28 1HD LYS 28 250.048 -4.619 5.353
250 HD3 LYS 28 2HD LYS 28 251.035 -3.173 5.569
251 HE2 LYS 28 1HE LYS 28 250.088 -5.019 7.758
252 HE3 LYS 28 2HE LYS 28 251.716 -4.960 7.090
253 HZ1 LYS 28 1HZ LYS 28 251.562 -3.748 9.168
254 HZ2 LYS 28 2HZ LYS 28 250.365 -2.743 8.526
255 HZ3 LYS 28 3HZ LYS 28 251.933 -2.697 7.895
256 H VAL 29 H VAL 29 247.330 0.342 3.813
257 HA VAL 29 HA VAL 29 245.376 -0.415 1.770
258 HB VAL 29 HB VAL 29 245.377 1.998 1.160
259 HG11 VAL 29 1HG1 VAL 29 243.689 1.090 2.655
260 HG12 VAL 29 2HG1 VAL 29 244.114 2.736 3.126
261 HG13 VAL 29 3HG1 VAL 29 244.746 1.366 4.039
262 HG21 VAL 29 1HG2 VAL 29 246.378 3.614 2.697
263 HG22 VAL 29 2HG2 VAL 29 247.608 2.583 1.965
264 HG23 VAL 29 3HG2 VAL 29 247.090 2.293 3.626
265 H ILE 30 H ILE 30 245.824 -0.228 -0.450
266 HA ILE 30 HA ILE 30 248.659 -0.003 -1.161
267 HB ILE 30 HB ILE 30 248.446 -2.114 -2.534
268 HG12 ILE 30 1HG1 ILE 30 245.963 -2.392 -0.832
269 HG13 ILE 30 2HG1 ILE 30 246.072 -2.435 -2.587
270 HG21 ILE 30 1HG2 ILE 30 248.302 -2.373 0.467
271 HG22 ILE 30 2HG2 ILE 30 249.748 -2.024 -0.481
272 HG23 ILE 30 3HG2 ILE 30 248.946 -3.587 -0.639
273 HD11 ILE 30 1HD1 ILE 30 247.015 -4.514 -0.636
274 HD12 ILE 30 2HD1 ILE 30 247.406 -4.541 -2.352
275 HD13 ILE 30 3HD1 ILE 30 245.724 -4.653 -1.831
276 H CYS 31 H CYS 31 249.061 0.414 -3.354
277 HA CYS 31 HA CYS 31 246.905 1.825 -4.678
278 HB2 CYS 31 1HB CYS 31 248.597 2.678 -6.164
279 HB3 CYS 31 2HB CYS 31 249.262 2.728 -4.534
280 H ARG 32 H ARG 32 246.767 1.540 -7.132
281 HA ARG 32 HA ARG 32 245.991 -1.161 -7.597
282 HB2 ARG 32 1HB ARG 32 246.017 1.255 -9.392
283 HB3 ARG 32 2HB ARG 32 245.397 -0.312 -9.887
284 HG2 ARG 32 1HG ARG 32 244.364 1.305 -7.566
285 HG3 ARG 32 2HG ARG 32 243.629 1.235 -9.168
286 HD2 ARG 32 1HD ARG 32 243.304 -1.189 -8.893
287 HD3 ARG 32 2HD ARG 32 244.007 -1.091 -7.280
288 HE ARG 32 HE ARG 32 241.818 0.698 -7.543
289 HH11 ARG 32 1HH1 ARG 32 242.567 -2.703 -7.166
290 HH12 ARG 32 2HH1 ARG 32 241.079 -3.075 -6.359
291 HH21 ARG 32 1HH2 ARG 32 239.858 0.209 -6.465
292 HH22 ARG 32 2HH2 ARG 32 239.542 -1.420 -5.960
293 H GLU 33 H GLU 33 248.987 0.246 -7.796
294 HA GLU 33 HA GLU 33 249.866 -1.612 -9.883
295 HB2 GLU 33 1HB GLU 33 251.571 0.352 -8.353
296 HB3 GLU 33 2HB GLU 33 252.004 -0.512 -9.818
297 HG2 GLU 33 1HG GLU 33 251.531 1.549 -10.667
298 HG3 GLU 33 2HG GLU 33 249.952 0.778 -10.811
299 H HIS 34 H HIS 34 249.398 -1.461 -6.588
300 HA HIS 34 HA HIS 34 251.271 -3.688 -6.125
301 HB2 HIS 34 1HB HIS 34 250.702 -1.331 -4.316
302 HB3 HIS 34 2HB HIS 34 251.445 -2.814 -3.738
303 HD2 HIS 34 HD2 HIS 34 253.525 -3.100 -6.341
304 HE1 HIS 34 HE1 HIS 34 255.028 0.504 -4.720
305 HE2 HIS 34 HE2 HIS 34 255.587 -1.551 -6.097
306 H ASN 35 H ASN 35 248.336 -3.501 -6.768
307 HA ASN 35 HA ASN 35 247.240 -4.435 -4.216
308 HB2 ASN 35 1HB ASN 35 245.156 -3.600 -4.750
309 HB3 ASN 35 2HB ASN 35 246.211 -2.416 -5.504
310 HD21 ASN 35 1HD2 ASN 35 243.798 -4.822 -6.006
311 HD22 ASN 35 2HD2 ASN 35 243.666 -4.643 -7.718
312 H ILE 36 H ILE 36 246.945 -6.483 -3.967
313 HA ILE 36 HA ILE 36 245.976 -8.090 -6.240
314 HB ILE 36 HB ILE 36 246.729 -9.137 -3.499
315 HG12 ILE 36 1HG1 ILE 36 248.570 -8.939 -5.897
316 HG13 ILE 36 2HG1 ILE 36 248.669 -7.916 -4.467
317 HG21 ILE 36 1HG2 ILE 36 246.625 -10.479 -6.199
318 HG22 ILE 36 2HG2 ILE 36 245.415 -10.624 -4.925
319 HG23 ILE 36 3HG2 ILE 36 247.042 -11.254 -4.671
320 HD11 ILE 36 1HD1 ILE 36 249.154 -9.866 -3.093
321 HD12 ILE 36 2HD1 ILE 36 250.318 -9.704 -4.410
322 HD13 ILE 36 3HD1 ILE 36 249.030 -10.904 -4.515
323 H ASP 37 H ASP 37 244.740 -5.977 -4.387
324 HA ASP 37 HA ASP 37 243.010 -5.540 -2.997
325 HB2 ASP 37 1HB ASP 37 241.999 -7.904 -4.511
326 HB3 ASP 37 2HB ASP 37 241.098 -7.375 -3.092
327 H MET 38 H MET 38 245.272 -7.226 -2.364
328 HA MET 38 HA MET 38 244.813 -7.669 0.367
329 HB2 MET 38 1HB MET 38 243.705 -9.733 -0.445
330 HB3 MET 38 2HB MET 38 245.149 -10.144 -1.362
331 HG2 MET 38 1HG MET 38 246.418 -10.397 0.681
332 HG3 MET 38 2HG MET 38 245.025 -9.893 1.636
333 HE1 MET 38 1HE MET 38 244.997 -12.251 -1.543
334 HE2 MET 38 2HE MET 38 245.209 -13.826 -0.776
335 HE3 MET 38 3HE MET 38 246.511 -12.637 -0.725
336 H CYS 39 H CYS 39 246.814 -7.509 1.318
337 HA CYS 39 HA CYS 39 248.954 -6.826 -0.469
338 HB2 CYS 39 1HB CYS 39 250.047 -5.926 1.377
339 HB3 CYS 39 2HB CYS 39 248.358 -5.759 1.840
340 H GLN 40 H GLN 40 251.093 -7.734 -0.320
341 HA GLN 40 HA GLN 40 251.015 -10.539 -0.692
342 HB2 GLN 40 1HB GLN 40 253.402 -8.701 -0.452
343 HB3 GLN 40 2HB GLN 40 253.430 -10.338 -1.090
344 HG2 GLN 40 1HG GLN 40 252.027 -9.687 -2.938
345 HG3 GLN 40 2HG GLN 40 251.864 -8.061 -2.278
346 HE21 GLN 40 1HE2 GLN 40 254.690 -8.011 -1.438
347 HE22 GLN 40 2HE2 GLN 40 255.596 -7.750 -2.888
348 H SER 41 H SER 41 251.467 -8.592 2.052
349 HA SER 41 HA SER 41 253.021 -10.449 3.578
350 HB2 SER 41 1HB SER 41 253.079 -8.055 4.067
351 HB3 SER 41 2HB SER 41 251.356 -8.067 4.426
352 HG SER 41 HG SER 41 253.199 -9.689 5.836
353 H CYS 42 H CYS 42 249.702 -10.163 2.741
354 HA CYS 42 HA CYS 42 249.002 -12.177 4.778
355 HB2 CYS 42 1HB CYS 42 247.167 -10.411 3.143
356 HB3 CYS 42 2HB CYS 42 246.640 -11.613 4.314
357 H PHE 43 H PHE 43 250.020 -11.968 1.705
358 HA PHE 43 HA PHE 43 248.218 -13.692 0.333
359 HB2 PHE 43 1HB PHE 43 249.627 -12.133 -0.898
360 HB3 PHE 43 2HB PHE 43 251.079 -12.908 -0.276
361 HD1 PHE 43 HD1 PHE 43 252.087 -14.620 -1.472
362 HD2 PHE 43 HD2 PHE 43 248.054 -13.568 -2.335
363 HE1 PHE 43 HE1 PHE 43 252.114 -16.128 -3.415
364 HE2 PHE 43 HE2 PHE 43 248.076 -15.078 -4.278
365 HZ PHE 43 HZ PHE 43 250.106 -16.359 -4.820
Start of MODEL 21
1 H1 VAL 1 1H VAL 1 251.166 15.735 11.219
2 H2 VAL 1 2H VAL 1 249.774 16.332 10.474
3 H3 VAL 1 3H VAL 1 251.296 16.714 9.848
4 HA VAL 1 HA VAL 1 250.211 15.040 8.509
5 HB VAL 1 HB VAL 1 252.521 13.872 10.079
6 HG11 VAL 1 1HG1 VAL 1 251.582 13.343 7.259
7 HG12 VAL 1 2HG1 VAL 1 251.409 12.251 8.633
8 HG13 VAL 1 3HG1 VAL 1 253.014 12.647 8.018
9 HG21 VAL 1 1HG2 VAL 1 252.563 15.682 7.663
10 HG22 VAL 1 2HG2 VAL 1 253.969 14.894 8.379
11 HG23 VAL 1 3HG2 VAL 1 253.077 16.109 9.296
12 H MET 2 H MET 2 248.498 13.761 8.642
13 HA MET 2 HA MET 2 248.440 11.658 10.667
14 HB2 MET 2 1HB MET 2 246.113 12.156 11.269
15 HB3 MET 2 2HB MET 2 247.166 13.508 11.655
16 HG2 MET 2 1HG MET 2 246.445 14.574 9.513
17 HG3 MET 2 2HG MET 2 245.260 13.280 9.341
18 HE1 MET 2 1HE MET 2 244.410 12.832 12.419
19 HE2 MET 2 2HE MET 2 243.267 12.867 11.077
20 HE3 MET 2 3HE MET 2 242.987 13.872 12.499
21 H LYS 3 H LYS 3 247.169 9.869 10.094
22 HA LYS 3 HA LYS 3 246.287 8.318 8.710
23 HB2 LYS 3 1HB LYS 3 245.131 10.806 7.513
24 HB3 LYS 3 2HB LYS 3 244.924 9.268 6.689
25 HG2 LYS 3 1HG LYS 3 242.992 9.635 8.010
26 HG3 LYS 3 2HG LYS 3 243.929 8.368 8.796
27 HD2 LYS 3 1HD LYS 3 244.870 10.079 10.322
28 HD3 LYS 3 2HD LYS 3 243.803 11.274 9.583
29 HE2 LYS 3 1HE LYS 3 242.800 10.476 11.620
30 HE3 LYS 3 2HE LYS 3 241.863 9.890 10.247
31 HZ1 LYS 3 1HZ LYS 3 243.906 8.304 11.707
32 HZ2 LYS 3 2HZ LYS 3 242.911 7.748 10.455
33 HZ3 LYS 3 3HZ LYS 3 242.235 8.182 11.941
34 H LYS 4 H LYS 4 248.562 7.903 8.250
35 HA LYS 4 HA LYS 4 249.608 8.668 5.700
36 HB2 LYS 4 1HB LYS 4 250.432 6.460 7.598
37 HB3 LYS 4 2HB LYS 4 251.321 6.913 6.152
38 HG2 LYS 4 1HG LYS 4 250.767 8.794 8.436
39 HG3 LYS 4 2HG LYS 4 252.237 7.833 8.282
40 HD2 LYS 4 1HD LYS 4 251.405 9.566 6.000
41 HD3 LYS 4 2HD LYS 4 252.127 10.323 7.417
42 HE2 LYS 4 1HE LYS 4 253.857 9.882 5.813
43 HE3 LYS 4 2HE LYS 4 254.070 8.797 7.182
44 HZ1 LYS 4 1HZ LYS 4 252.809 8.063 4.594
45 HZ2 LYS 4 2HZ LYS 4 253.078 7.023 5.900
46 HZ3 LYS 4 3HZ LYS 4 254.390 7.674 5.055
47 H ARG 5 H ARG 5 247.404 6.348 6.854
48 HA ARG 5 HA ARG 5 247.692 4.451 4.732
49 HB2 ARG 5 1HB ARG 5 245.536 4.880 6.792
50 HB3 ARG 5 2HB ARG 5 245.445 3.620 5.572
51 HG2 ARG 5 1HG ARG 5 247.570 2.690 6.431
52 HG3 ARG 5 2HG ARG 5 247.541 3.903 7.712
53 HD2 ARG 5 1HD ARG 5 245.395 3.023 8.491
54 HD3 ARG 5 2HD ARG 5 245.428 1.810 7.213
55 HE ARG 5 HE ARG 5 247.742 1.733 8.910
56 HH11 ARG 5 1HH1 ARG 5 244.441 0.633 8.525
57 HH12 ARG 5 2HH1 ARG 5 244.635 -0.727 9.583
58 HH21 ARG 5 1HH2 ARG 5 247.999 -0.051 10.315
59 HH22 ARG 5 2HH2 ARG 5 246.663 -1.118 10.604
60 H THR 6 H THR 6 247.014 7.439 4.299
61 HA THR 6 HA THR 6 244.715 7.212 2.557
62 HB THR 6 HB THR 6 246.712 9.474 2.827
63 HG1 THR 6 HG1 THR 6 245.682 9.988 4.598
64 HG21 THR 6 1HG2 THR 6 243.913 9.434 1.697
65 HG22 THR 6 2HG2 THR 6 245.403 9.553 0.759
66 HG23 THR 6 3HG2 THR 6 244.944 10.856 1.857
67 H TYR 7 H TYR 7 248.063 6.710 2.498
68 HA TYR 7 HA TYR 7 248.065 6.529 -0.434
69 HB2 TYR 7 1HB TYR 7 250.274 7.489 1.390
70 HB3 TYR 7 2HB TYR 7 250.500 7.119 -0.314
71 HD1 TYR 7 HD1 TYR 7 249.689 9.649 2.022
72 HD2 TYR 7 HD2 TYR 7 248.953 8.381 -1.970
73 HE1 TYR 7 HE1 TYR 7 249.002 11.933 1.429
74 HE2 TYR 7 HE2 TYR 7 248.270 10.655 -2.574
75 HH TYR 7 HH TYR 7 248.848 13.344 -0.599
76 H CYS 8 H CYS 8 249.412 4.933 -1.320
77 HA CYS 8 HA CYS 8 249.042 2.419 -0.241
78 HB2 CYS 8 1HB CYS 8 249.375 2.691 -2.578
79 HB3 CYS 8 2HB CYS 8 250.948 3.430 -2.340
80 H THR 9 H THR 9 249.939 1.338 1.317
81 HA THR 9 HA THR 9 252.092 2.260 2.868
82 HB THR 9 HB THR 9 250.988 -0.551 2.746
83 HG1 THR 9 HG1 THR 9 250.018 1.824 3.943
84 HG21 THR 9 1HG2 THR 9 251.615 -0.594 5.141
85 HG22 THR 9 2HG2 THR 9 252.370 0.987 4.945
86 HG23 THR 9 3HG2 THR 9 253.005 -0.409 4.073
87 H TYR 10 H TYR 10 251.942 0.175 0.092
88 HA TYR 10 HA TYR 10 254.599 -0.881 0.449
89 HB2 TYR 10 1HB TYR 10 252.467 -1.165 -1.626
90 HB3 TYR 10 2HB TYR 10 254.123 -1.610 -2.034
91 HD1 TYR 10 HD1 TYR 10 251.684 -2.150 0.754
92 HD2 TYR 10 HD2 TYR 10 254.709 -3.796 -1.737
93 HE1 TYR 10 HE1 TYR 10 251.377 -4.331 1.839
94 HE2 TYR 10 HE2 TYR 10 254.416 -5.981 -0.662
95 HH TYR 10 HH TYR 10 253.586 -6.896 1.451
96 H CYS 11 H CYS 11 253.134 1.829 -1.111
97 HA CYS 11 HA CYS 11 255.488 2.478 -2.670
98 HB2 CYS 11 1HB CYS 11 252.839 3.817 -2.199
99 HB3 CYS 11 2HB CYS 11 254.165 4.713 -2.922
100 HA PRO 12 HA PRO 12 257.643 4.473 0.677
101 HB2 PRO 12 1HB PRO 12 258.723 6.249 -1.435
102 HB3 PRO 12 2HB PRO 12 259.583 5.224 -0.283
103 HG2 PRO 12 1HG PRO 12 259.402 4.580 -2.881
104 HG3 PRO 12 2HG PRO 12 259.393 3.346 -1.608
105 HD2 PRO 12 1HD PRO 12 257.132 4.412 -3.234
106 HD3 PRO 12 2HD PRO 12 257.412 2.770 -2.622
107 H SER 13 H SER 13 257.351 6.272 1.936
108 HA SER 13 HA SER 13 255.067 7.844 1.475
109 HB2 SER 13 1HB SER 13 257.296 8.210 3.481
110 HB3 SER 13 2HB SER 13 255.775 9.099 3.502
111 HG SER 13 HG SER 13 256.199 6.325 3.885
112 H LYS 14 H LYS 14 258.273 8.246 0.412
113 HA LYS 14 HA LYS 14 258.149 11.084 0.027
114 HB2 LYS 14 1HB LYS 14 259.966 9.024 -1.230
115 HB3 LYS 14 2HB LYS 14 260.183 10.766 -1.322
116 HG2 LYS 14 1HG LYS 14 260.275 9.099 1.183
117 HG3 LYS 14 2HG LYS 14 261.658 9.795 0.336
118 HD2 LYS 14 1HD LYS 14 260.633 12.048 0.710
119 HD3 LYS 14 2HD LYS 14 259.435 11.263 1.739
120 HE2 LYS 14 1HE LYS 14 261.217 12.186 3.092
121 HE3 LYS 14 2HE LYS 14 261.240 10.427 3.177
122 HZ1 LYS 14 1HZ LYS 14 263.463 11.324 2.921
123 HZ2 LYS 14 2HZ LYS 14 263.018 12.104 1.488
124 HZ3 LYS 14 3HZ LYS 14 263.041 10.416 1.558
125 H ILE 15 H ILE 15 256.929 8.349 -1.583
126 HA ILE 15 HA ILE 15 256.700 9.667 -4.168
127 HB ILE 15 HB ILE 15 255.694 6.961 -3.267
128 HG12 ILE 15 1HG1 ILE 15 258.125 7.055 -3.216
129 HG13 ILE 15 2HG1 ILE 15 257.593 6.061 -4.567
130 HG21 ILE 15 1HG2 ILE 15 255.910 8.107 -6.046
131 HG22 ILE 15 2HG2 ILE 15 254.416 7.847 -5.148
132 HG23 ILE 15 3HG2 ILE 15 255.403 6.470 -5.636
133 HD11 ILE 15 1HD1 ILE 15 258.581 8.897 -4.712
134 HD12 ILE 15 2HD1 ILE 15 257.988 7.953 -6.079
135 HD13 ILE 15 3HD1 ILE 15 259.446 7.448 -5.225
136 H ARG 16 H ARG 16 254.592 8.402 -1.604
137 HA ARG 16 HA ARG 16 252.418 8.790 -1.055
138 HB2 ARG 16 1HB ARG 16 252.871 11.384 -2.538
139 HB3 ARG 16 2HB ARG 16 251.479 11.034 -1.524
140 HG2 ARG 16 1HG ARG 16 252.927 10.844 0.421
141 HG3 ARG 16 2HG ARG 16 254.339 11.159 -0.592
142 HD2 ARG 16 1HD ARG 16 252.035 13.031 -0.067
143 HD3 ARG 16 2HD ARG 16 253.682 13.193 0.541
144 HE ARG 16 HE ARG 16 253.603 13.075 -2.309
145 HH11 ARG 16 1HH1 ARG 16 253.137 15.222 0.414
146 HH12 ARG 16 2HH1 ARG 16 253.463 16.657 -0.502
147 HH21 ARG 16 1HH2 ARG 16 254.036 14.944 -3.513
148 HH22 ARG 16 2HH2 ARG 16 253.978 16.500 -2.745
149 H ARG 17 H ARG 17 252.106 6.994 -2.636
150 HA ARG 17 HA ARG 17 250.699 7.857 -5.056
151 HB2 ARG 17 1HB ARG 17 252.470 6.101 -5.244
152 HB3 ARG 17 2HB ARG 17 251.500 5.063 -4.211
153 HG2 ARG 17 1HG ARG 17 251.254 4.464 -6.557
154 HG3 ARG 17 2HG ARG 17 249.725 5.026 -5.877
155 HD2 ARG 17 1HD ARG 17 249.950 7.150 -6.943
156 HD3 ARG 17 2HD ARG 17 251.603 6.793 -7.441
157 HE ARG 17 HE ARG 17 250.154 4.839 -8.640
158 HH11 ARG 17 1HH1 ARG 17 249.849 8.330 -8.557
159 HH12 ARG 17 2HH1 ARG 17 249.188 8.435 -10.156
160 HH21 ARG 17 1HH2 ARG 17 249.310 4.972 -10.738
161 HH22 ARG 17 2HH2 ARG 17 248.880 6.518 -11.406
162 H LYS 18 H LYS 18 248.554 7.810 -5.160
163 HA LYS 18 HA LYS 18 246.979 7.501 -2.887
164 HB2 LYS 18 1HB LYS 18 246.271 7.541 -5.814
165 HB3 LYS 18 2HB LYS 18 245.043 7.360 -4.572
166 HG2 LYS 18 1HG LYS 18 245.034 9.634 -5.081
167 HG3 LYS 18 2HG LYS 18 245.962 9.523 -3.587
168 HD2 LYS 18 1HD LYS 18 248.024 9.765 -4.763
169 HD3 LYS 18 2HD LYS 18 247.216 9.608 -6.323
170 HE2 LYS 18 1HE LYS 18 247.708 11.924 -5.956
171 HE3 LYS 18 2HE LYS 18 245.966 11.697 -5.822
172 HZ1 LYS 18 1HZ LYS 18 246.255 11.646 -3.384
173 HZ2 LYS 18 2HZ LYS 18 246.705 13.122 -4.076
174 HZ3 LYS 18 3HZ LYS 18 247.893 12.025 -3.590
175 H ALA 19 H ALA 19 246.384 5.772 -1.823
176 HA ALA 19 HA ALA 19 246.534 3.144 -3.031
177 HB1 ALA 19 1HB ALA 19 246.077 2.297 -0.820
178 HB2 ALA 19 2HB ALA 19 245.667 3.915 -0.247
179 HB3 ALA 19 3HB ALA 19 247.323 3.540 -0.721
180 H ASN 20 H ASN 20 244.886 2.957 -4.481
181 HA ASN 20 HA ASN 20 242.216 3.824 -3.853
182 HB2 ASN 20 1HB ASN 20 243.242 2.149 -6.155
183 HB3 ASN 20 2HB ASN 20 241.611 2.795 -6.023
184 HD21 ASN 20 1HD2 ASN 20 243.675 3.256 -8.034
185 HD22 ASN 20 2HD2 ASN 20 243.940 4.962 -8.063
186 H ALA 21 H ALA 21 244.047 1.121 -3.108
187 HA ALA 21 HA ALA 21 241.618 -0.426 -2.535
188 HB1 ALA 21 1HB ALA 21 244.225 -1.544 -3.557
189 HB2 ALA 21 2HB ALA 21 242.739 -1.376 -4.490
190 HB3 ALA 21 3HB ALA 21 242.795 -2.476 -3.115
191 H SER 22 H SER 22 242.052 -2.159 -0.911
192 HA SER 22 HA SER 22 244.245 -1.614 0.913
193 HB2 SER 22 1HB SER 22 242.641 -1.645 2.861
194 HB3 SER 22 2HB SER 22 242.527 -0.212 1.841
195 HG SER 22 HG SER 22 240.769 -1.368 0.748
196 H CYS 23 H CYS 23 244.881 -3.395 2.075
197 HA CYS 23 HA CYS 23 244.052 -5.915 0.968
198 HB2 CYS 23 1HB CYS 23 246.413 -5.391 1.454
199 HB3 CYS 23 2HB CYS 23 246.025 -5.293 3.167
200 H LYS 24 H LYS 24 242.268 -6.858 1.658
201 HA LYS 24 HA LYS 24 241.081 -6.218 4.185
202 HB2 LYS 24 1HB LYS 24 240.282 -8.147 2.005
203 HB3 LYS 24 2HB LYS 24 239.323 -7.856 3.450
204 HG2 LYS 24 1HG LYS 24 240.071 -5.753 1.425
205 HG3 LYS 24 2HG LYS 24 238.520 -6.593 1.496
206 HD2 LYS 24 1HD LYS 24 238.201 -5.711 3.789
207 HD3 LYS 24 2HD LYS 24 239.703 -4.803 3.621
208 HE2 LYS 24 1HE LYS 24 238.765 -3.559 1.755
209 HE3 LYS 24 2HE LYS 24 237.278 -4.500 1.855
210 HZ1 LYS 24 1HZ LYS 24 236.991 -2.385 2.933
211 HZ2 LYS 24 2HZ LYS 24 238.326 -2.656 3.931
212 HZ3 LYS 24 3HZ LYS 24 236.941 -3.609 4.098
213 H LYS 25 H LYS 25 243.073 -7.039 5.297
214 HA LYS 25 HA LYS 25 242.327 -9.306 6.790
215 HB2 LYS 25 1HB LYS 25 243.272 -10.523 4.844
216 HB3 LYS 25 2HB LYS 25 244.802 -9.688 5.086
217 HG2 LYS 25 1HG LYS 25 245.051 -10.730 7.268
218 HG3 LYS 25 2HG LYS 25 243.490 -11.531 7.078
219 HD2 LYS 25 1HD LYS 25 244.351 -12.730 5.128
220 HD3 LYS 25 2HD LYS 25 245.913 -11.935 5.329
221 HE2 LYS 25 1HE LYS 25 245.967 -14.181 6.256
222 HE3 LYS 25 2HE LYS 25 246.154 -12.979 7.530
223 HZ1 LYS 25 1HZ LYS 25 244.629 -14.784 8.129
224 HZ2 LYS 25 2HZ LYS 25 243.606 -14.345 6.860
225 HZ3 LYS 25 3HZ LYS 25 243.865 -13.277 8.144
226 H CYS 26 H CYS 26 245.087 -7.347 5.750
227 HA CYS 26 HA CYS 26 245.857 -7.041 8.566
228 HB2 CYS 26 1HB CYS 26 248.038 -6.332 7.756
229 HB3 CYS 26 2HB CYS 26 247.608 -7.872 7.019
230 H LYS 27 H LYS 27 244.378 -5.484 5.959
231 HA LYS 27 HA LYS 27 243.349 -3.501 5.747
232 HB2 LYS 27 1HB LYS 27 244.159 -3.143 8.625
233 HB3 LYS 27 2HB LYS 27 243.172 -1.989 7.745
234 HG2 LYS 27 1HG LYS 27 242.448 -4.880 8.196
235 HG3 LYS 27 2HG LYS 27 241.855 -3.526 9.160
236 HD2 LYS 27 1HD LYS 27 241.441 -3.828 6.183
237 HD3 LYS 27 2HD LYS 27 240.261 -4.285 7.409
238 HE2 LYS 27 1HE LYS 27 241.363 -1.509 6.984
239 HE3 LYS 27 2HE LYS 27 239.788 -2.079 6.442
240 HZ1 LYS 27 1HZ LYS 27 239.187 -2.471 8.760
241 HZ2 LYS 27 2HZ LYS 27 239.590 -0.850 8.491
242 HZ3 LYS 27 3HZ LYS 27 240.690 -1.875 9.263
243 H LYS 28 H LYS 28 246.395 -3.907 5.481
244 HA LYS 28 HA LYS 28 247.360 -1.202 5.525
245 HB2 LYS 28 1HB LYS 28 248.402 -3.711 4.204
246 HB3 LYS 28 2HB LYS 28 249.183 -2.148 4.026
247 HG2 LYS 28 1HG LYS 28 249.473 -2.058 6.480
248 HG3 LYS 28 2HG LYS 28 248.798 -3.687 6.584
249 HD2 LYS 28 1HD LYS 28 250.592 -4.559 5.220
250 HD3 LYS 28 2HD LYS 28 251.230 -2.936 4.964
251 HE2 LYS 28 1HE LYS 28 251.587 -2.768 7.428
252 HE3 LYS 28 2HE LYS 28 251.110 -4.460 7.562
253 HZ1 LYS 28 1HZ LYS 28 253.513 -4.209 7.477
254 HZ2 LYS 28 2HZ LYS 28 253.406 -3.440 5.978
255 HZ3 LYS 28 3HZ LYS 28 252.953 -5.063 6.129
256 H VAL 29 H VAL 29 247.225 0.291 3.943
257 HA VAL 29 HA VAL 29 245.415 -0.295 1.760
258 HB VAL 29 HB VAL 29 245.523 2.114 1.269
259 HG11 VAL 29 1HG1 VAL 29 243.871 1.289 2.845
260 HG12 VAL 29 2HG1 VAL 29 244.433 2.892 3.324
261 HG13 VAL 29 3HG1 VAL 29 245.023 1.459 4.169
262 HG21 VAL 29 1HG2 VAL 29 246.719 3.629 2.766
263 HG22 VAL 29 2HG2 VAL 29 247.830 2.536 1.940
264 HG23 VAL 29 3HG2 VAL 29 247.399 2.246 3.625
265 H ILE 30 H ILE 30 245.938 -0.244 -0.408
266 HA ILE 30 HA ILE 30 248.794 -0.069 -1.047
267 HB ILE 30 HB ILE 30 248.605 -2.215 -2.350
268 HG12 ILE 30 1HG1 ILE 30 246.133 -2.574 -0.638
269 HG13 ILE 30 2HG1 ILE 30 246.138 -2.325 -2.378
270 HG21 ILE 30 1HG2 ILE 30 249.004 -3.648 -0.406
271 HG22 ILE 30 2HG2 ILE 30 248.325 -2.406 0.647
272 HG23 ILE 30 3HG2 ILE 30 249.815 -2.092 -0.242
273 HD11 ILE 30 1HD1 ILE 30 247.374 -4.672 -0.965
274 HD12 ILE 30 2HD1 ILE 30 247.255 -4.434 -2.708
275 HD13 ILE 30 3HD1 ILE 30 245.794 -4.665 -1.748
276 H CYS 31 H CYS 31 249.259 0.257 -3.216
277 HA CYS 31 HA CYS 31 247.043 1.122 -4.884
278 HB2 CYS 31 1HB CYS 31 248.677 2.039 -6.363
279 HB3 CYS 31 2HB CYS 31 249.278 2.380 -4.747
280 H ARG 32 H ARG 32 246.402 -0.009 -6.748
281 HA ARG 32 HA ARG 32 247.009 -2.813 -6.652
282 HB2 ARG 32 1HB ARG 32 245.165 -1.188 -8.376
283 HB3 ARG 32 2HB ARG 32 245.439 -2.903 -8.664
284 HG2 ARG 32 1HG ARG 32 244.796 -3.284 -6.255
285 HG3 ARG 32 2HG ARG 32 244.266 -1.603 -6.226
286 HD2 ARG 32 1HD ARG 32 243.266 -3.637 -8.205
287 HD3 ARG 32 2HD ARG 32 242.470 -3.292 -6.672
288 HE ARG 32 HE ARG 32 242.899 -1.195 -8.698
289 HH11 ARG 32 1HH1 ARG 32 240.824 -2.990 -6.518
290 HH12 ARG 32 2HH1 ARG 32 239.430 -2.003 -6.841
291 HH21 ARG 32 1HH2 ARG 32 241.074 0.111 -9.109
292 HH22 ARG 32 2HH2 ARG 32 239.573 -0.236 -8.310
293 H GLU 33 H GLU 33 248.668 -0.348 -7.877
294 HA GLU 33 HA GLU 33 249.760 -1.744 -10.160
295 HB2 GLU 33 1HB GLU 33 250.771 0.698 -8.678
296 HB3 GLU 33 2HB GLU 33 251.380 0.105 -10.218
297 HG2 GLU 33 1HG GLU 33 249.244 0.554 -11.269
298 HG3 GLU 33 2HG GLU 33 248.574 1.079 -9.726
299 H HIS 34 H HIS 34 250.062 -1.680 -6.781
300 HA HIS 34 HA HIS 34 252.614 -3.117 -6.842
301 HB2 HIS 34 1HB HIS 34 251.206 -1.501 -4.815
302 HB3 HIS 34 2HB HIS 34 251.936 -2.976 -4.189
303 HD2 HIS 34 HD2 HIS 34 254.627 -2.816 -6.136
304 HE1 HIS 34 HE1 HIS 34 255.294 0.716 -3.915
305 HE2 HIS 34 HE2 HIS 34 256.388 -1.139 -5.249
306 H ASN 35 H ASN 35 249.383 -3.424 -5.360
307 HA ASN 35 HA ASN 35 249.448 -6.293 -5.878
308 HB2 ASN 35 1HB ASN 35 249.418 -5.053 -3.157
309 HB3 ASN 35 2HB ASN 35 248.488 -6.522 -3.423
310 HD21 ASN 35 1HD2 ASN 35 250.341 -7.645 -5.349
311 HD22 ASN 35 2HD2 ASN 35 251.734 -8.144 -4.457
312 H ILE 36 H ILE 36 247.414 -7.242 -6.035
313 HA ILE 36 HA ILE 36 245.340 -5.314 -6.683
314 HB ILE 36 HB ILE 36 245.362 -8.307 -7.087
315 HG12 ILE 36 1HG1 ILE 36 247.164 -7.213 -8.339
316 HG13 ILE 36 2HG1 ILE 36 245.909 -7.792 -9.429
317 HG21 ILE 36 1HG2 ILE 36 243.540 -7.903 -8.661
318 HG22 ILE 36 2HG2 ILE 36 243.579 -6.184 -8.271
319 HG23 ILE 36 3HG2 ILE 36 243.113 -7.356 -7.039
320 HD11 ILE 36 1HD1 ILE 36 245.009 -5.515 -9.571
321 HD12 ILE 36 2HD1 ILE 36 246.684 -5.612 -10.110
322 HD13 ILE 36 3HD1 ILE 36 246.308 -4.952 -8.519
323 H ASP 37 H ASP 37 244.830 -4.699 -4.528
324 HA ASP 37 HA ASP 37 243.423 -4.618 -2.752
325 HB2 ASP 37 1HB ASP 37 242.019 -6.641 -4.466
326 HB3 ASP 37 2HB ASP 37 241.385 -6.213 -2.882
327 H MET 38 H MET 38 245.576 -6.876 -3.016
328 HA MET 38 HA MET 38 245.161 -7.813 -0.313
329 HB2 MET 38 1HB MET 38 244.006 -9.507 -1.770
330 HB3 MET 38 2HB MET 38 245.547 -9.809 -2.558
331 HG2 MET 38 1HG MET 38 245.070 -11.509 -0.897
332 HG3 MET 38 2HG MET 38 246.494 -10.571 -0.450
333 HE1 MET 38 1HE MET 38 242.641 -11.068 0.174
334 HE2 MET 38 2HE MET 38 242.762 -9.331 -0.110
335 HE3 MET 38 3HE MET 38 242.350 -9.935 1.494
336 H CYS 39 H CYS 39 247.090 -7.615 0.669
337 HA CYS 39 HA CYS 39 249.355 -6.940 -0.979
338 HB2 CYS 39 1HB CYS 39 250.336 -6.050 0.907
339 HB3 CYS 39 2HB CYS 39 248.639 -5.929 1.353
340 H GLN 40 H GLN 40 251.339 -7.975 -0.988
341 HA GLN 40 HA GLN 40 251.165 -10.790 -1.170
342 HB2 GLN 40 1HB GLN 40 253.566 -10.667 -1.743
343 HB3 GLN 40 2HB GLN 40 252.585 -9.534 -2.661
344 HG2 GLN 40 1HG GLN 40 253.249 -7.811 -0.907
345 HG3 GLN 40 2HG GLN 40 254.474 -8.972 -0.410
346 HE21 GLN 40 1HE2 GLN 40 253.409 -6.826 -2.926
347 HE22 GLN 40 2HE2 GLN 40 254.887 -6.826 -3.826
348 H SER 41 H SER 41 251.633 -8.861 1.526
349 HA SER 41 HA SER 41 253.332 -10.715 2.954
350 HB2 SER 41 1HB SER 41 253.452 -8.314 3.464
351 HB3 SER 41 2HB SER 41 251.757 -8.322 3.942
352 HG SER 41 HG SER 41 252.649 -10.136 5.430
353 H CYS 42 H CYS 42 250.058 -10.496 2.161
354 HA CYS 42 HA CYS 42 249.304 -12.271 4.381
355 HB2 CYS 42 1HB CYS 42 247.621 -10.583 2.526
356 HB3 CYS 42 2HB CYS 42 246.939 -11.790 3.609
357 H PHE 43 H PHE 43 247.093 -13.479 3.148
358 HA PHE 43 HA PHE 43 248.387 -15.616 1.834
359 HB2 PHE 43 1HB PHE 43 246.195 -16.627 1.646
360 HB3 PHE 43 2HB PHE 43 246.369 -15.905 3.238
361 HD1 PHE 43 HD1 PHE 43 244.393 -16.096 0.283
362 HD2 PHE 43 HD2 PHE 43 245.298 -13.619 3.620
363 HE1 PHE 43 HE1 PHE 43 242.284 -14.878 -0.053
364 HE2 PHE 43 HE2 PHE 43 243.190 -12.395 3.291
365 HZ PHE 43 HZ PHE 43 241.679 -13.026 1.451
Start of MODEL 22
1 H1 VAL 1 1H VAL 1 249.155 16.718 10.533
2 H2 VAL 1 2H VAL 1 249.670 15.814 11.866
3 H3 VAL 1 3H VAL 1 248.339 16.846 12.009
4 HA VAL 1 HA VAL 1 247.647 14.548 11.859
5 HB VAL 1 HB VAL 1 246.971 16.161 9.386
6 HG11 VAL 1 1HG1 VAL 1 244.892 14.851 9.350
7 HG12 VAL 1 2HG1 VAL 1 245.488 13.881 10.694
8 HG13 VAL 1 3HG1 VAL 1 246.314 13.830 9.138
9 HG21 VAL 1 1HG2 VAL 1 246.542 17.390 11.454
10 HG22 VAL 1 2HG2 VAL 1 245.598 16.035 12.071
11 HG23 VAL 1 3HG2 VAL 1 245.033 16.935 10.663
12 H MET 2 H MET 2 248.330 12.604 11.270
13 HA MET 2 HA MET 2 249.914 12.377 8.797
14 HB2 MET 2 1HB MET 2 249.991 10.703 11.314
15 HB3 MET 2 2HB MET 2 250.889 10.329 9.849
16 HG2 MET 2 1HG MET 2 251.204 12.809 11.525
17 HG3 MET 2 2HG MET 2 252.289 11.422 11.511
18 HE1 MET 2 1HE MET 2 254.386 12.955 11.030
19 HE2 MET 2 2HE MET 2 253.326 14.362 11.112
20 HE3 MET 2 3HE MET 2 254.432 14.170 9.753
21 H LYS 3 H LYS 3 249.039 11.279 7.192
22 HA LYS 3 HA LYS 3 246.831 9.424 7.791
23 HB2 LYS 3 1HB LYS 3 247.274 11.056 5.278
24 HB3 LYS 3 2HB LYS 3 245.937 9.954 5.565
25 HG2 LYS 3 1HG LYS 3 246.488 12.452 7.153
26 HG3 LYS 3 2HG LYS 3 245.311 12.314 5.848
27 HD2 LYS 3 1HD LYS 3 245.270 10.693 8.393
28 HD3 LYS 3 2HD LYS 3 244.300 12.134 8.104
29 HE2 LYS 3 1HE LYS 3 244.177 9.558 6.539
30 HE3 LYS 3 2HE LYS 3 242.998 10.107 7.725
31 HZ1 LYS 3 1HZ LYS 3 243.629 11.420 5.136
32 HZ2 LYS 3 2HZ LYS 3 242.548 12.023 6.287
33 HZ3 LYS 3 3HZ LYS 3 242.222 10.561 5.509
34 H LYS 4 H LYS 4 248.696 7.927 8.099
35 HA LYS 4 HA LYS 4 250.292 7.198 5.858
36 HB2 LYS 4 1HB LYS 4 249.803 5.832 8.498
37 HB3 LYS 4 2HB LYS 4 250.898 5.198 7.279
38 HG2 LYS 4 1HG LYS 4 251.142 7.845 8.698
39 HG3 LYS 4 2HG LYS 4 252.124 6.408 8.978
40 HD2 LYS 4 1HD LYS 4 252.005 8.007 6.417
41 HD3 LYS 4 2HD LYS 4 253.309 8.044 7.597
42 HE2 LYS 4 1HE LYS 4 252.454 5.596 6.056
43 HE3 LYS 4 2HE LYS 4 253.807 6.636 5.619
44 HZ1 LYS 4 1HZ LYS 4 254.875 6.084 7.700
45 HZ2 LYS 4 2HZ LYS 4 254.519 4.672 6.842
46 HZ3 LYS 4 3HZ LYS 4 253.562 5.121 8.160
47 H ARG 5 H ARG 5 247.198 6.216 7.044
48 HA ARG 5 HA ARG 5 247.175 3.944 5.202
49 HB2 ARG 5 1HB ARG 5 245.146 4.715 7.304
50 HB3 ARG 5 2HB ARG 5 245.107 3.255 6.324
51 HG2 ARG 5 1HG ARG 5 247.325 2.643 7.317
52 HG3 ARG 5 2HG ARG 5 247.125 4.002 8.423
53 HD2 ARG 5 1HD ARG 5 244.965 2.979 9.154
54 HD3 ARG 5 2HD ARG 5 245.367 1.568 8.175
55 HE ARG 5 HE ARG 5 246.859 2.488 10.545
56 HH11 ARG 5 1HH1 ARG 5 246.006 -0.059 8.281
57 HH12 ARG 5 2HH1 ARG 5 246.833 -1.288 9.185
58 HH21 ARG 5 1HH2 ARG 5 247.930 0.860 11.715
59 HH22 ARG 5 2HH2 ARG 5 247.916 -0.774 11.129
60 H THR 6 H THR 6 247.075 6.762 4.399
61 HA THR 6 HA THR 6 244.569 6.659 2.856
62 HB THR 6 HB THR 6 246.366 9.037 3.383
63 HG1 THR 6 HG1 THR 6 244.650 7.973 4.987
64 HG21 THR 6 1HG2 THR 6 243.690 8.890 1.992
65 HG22 THR 6 2HG2 THR 6 245.245 9.164 1.206
66 HG23 THR 6 3HG2 THR 6 244.603 10.361 2.331
67 H TYR 7 H TYR 7 248.033 6.929 2.763
68 HA TYR 7 HA TYR 7 248.014 6.751 -0.161
69 HB2 TYR 7 1HB TYR 7 250.198 7.506 1.789
70 HB3 TYR 7 2HB TYR 7 250.472 7.271 0.067
71 HD1 TYR 7 HD1 TYR 7 249.052 9.469 2.614
72 HD2 TYR 7 HD2 TYR 7 249.566 8.845 -1.560
73 HE1 TYR 7 HE1 TYR 7 248.425 11.806 2.193
74 HE2 TYR 7 HE2 TYR 7 248.951 11.178 -1.991
75 HH TYR 7 HH TYR 7 248.817 13.526 0.402
76 H CYS 8 H CYS 8 249.130 5.121 -1.193
77 HA CYS 8 HA CYS 8 248.802 2.576 -0.178
78 HB2 CYS 8 1HB CYS 8 248.981 2.941 -2.533
79 HB3 CYS 8 2HB CYS 8 250.608 3.585 -2.369
80 H THR 9 H THR 9 249.798 1.451 1.284
81 HA THR 9 HA THR 9 252.037 2.428 2.699
82 HB THR 9 HB THR 9 250.867 -0.356 2.773
83 HG1 THR 9 HG1 THR 9 249.853 2.086 3.541
84 HG21 THR 9 1HG2 THR 9 252.965 -0.168 3.988
85 HG22 THR 9 2HG2 THR 9 251.621 -0.311 5.122
86 HG23 THR 9 3HG2 THR 9 252.369 1.260 4.836
87 H TYR 10 H TYR 10 251.687 0.146 0.075
88 HA TYR 10 HA TYR 10 254.376 -0.858 0.361
89 HB2 TYR 10 1HB TYR 10 252.133 -1.411 -1.544
90 HB3 TYR 10 2HB TYR 10 253.769 -1.957 -1.915
91 HD1 TYR 10 HD1 TYR 10 251.132 -2.118 0.701
92 HD2 TYR 10 HD2 TYR 10 254.611 -3.908 -0.962
93 HE1 TYR 10 HE1 TYR 10 250.847 -4.044 2.196
94 HE2 TYR 10 HE2 TYR 10 254.334 -5.844 0.523
95 HH TYR 10 HH TYR 10 251.485 -6.329 2.410
96 H CYS 11 H CYS 11 252.934 1.824 -1.055
97 HA CYS 11 HA CYS 11 255.089 2.268 -2.942
98 HB2 CYS 11 1HB CYS 11 252.614 3.751 -2.165
99 HB3 CYS 11 2HB CYS 11 253.932 4.651 -2.898
100 HA PRO 12 HA PRO 12 257.792 4.202 0.008
101 HB2 PRO 12 1HB PRO 12 258.624 5.997 -2.180
102 HB3 PRO 12 2HB PRO 12 259.586 4.848 -1.248
103 HG2 PRO 12 1HG PRO 12 258.932 4.395 -3.815
104 HG3 PRO 12 2HG PRO 12 259.062 3.081 -2.630
105 HD2 PRO 12 1HD PRO 12 256.623 4.402 -3.741
106 HD3 PRO 12 2HD PRO 12 256.908 2.693 -3.351
107 H SER 13 H SER 13 257.619 5.901 1.371
108 HA SER 13 HA SER 13 255.247 7.349 1.387
109 HB2 SER 13 1HB SER 13 257.782 7.948 2.924
110 HB3 SER 13 2HB SER 13 256.165 8.521 3.329
111 HG SER 13 HG SER 13 256.155 5.843 3.015
112 H LYS 14 H LYS 14 258.327 8.218 0.007
113 HA LYS 14 HA LYS 14 257.774 11.024 -0.162
114 HB2 LYS 14 1HB LYS 14 259.811 9.313 -1.587
115 HB3 LYS 14 2HB LYS 14 259.752 11.067 -1.665
116 HG2 LYS 14 1HG LYS 14 260.216 11.243 0.685
117 HG3 LYS 14 2HG LYS 14 260.118 9.490 0.871
118 HD2 LYS 14 1HD LYS 14 262.036 9.222 -0.615
119 HD3 LYS 14 2HD LYS 14 262.129 10.971 -0.817
120 HE2 LYS 14 1HE LYS 14 262.575 11.230 1.568
121 HE3 LYS 14 2HE LYS 14 262.461 9.482 1.784
122 HZ1 LYS 14 1HZ LYS 14 264.481 10.921 0.155
123 HZ2 LYS 14 2HZ LYS 14 264.352 9.240 0.268
124 HZ3 LYS 14 3HZ LYS 14 264.751 10.150 1.635
125 H ILE 15 H ILE 15 256.981 8.258 -2.058
126 HA ILE 15 HA ILE 15 256.624 9.619 -4.552
127 HB ILE 15 HB ILE 15 255.564 6.955 -3.594
128 HG12 ILE 15 1HG1 ILE 15 257.989 7.008 -3.684
129 HG13 ILE 15 2HG1 ILE 15 257.373 6.021 -5.004
130 HG21 ILE 15 1HG2 ILE 15 254.186 7.823 -5.410
131 HG22 ILE 15 2HG2 ILE 15 255.135 6.433 -5.937
132 HG23 ILE 15 3HG2 ILE 15 255.629 8.061 -6.397
133 HD11 ILE 15 1HD1 ILE 15 259.191 7.364 -5.789
134 HD12 ILE 15 2HD1 ILE 15 258.424 8.831 -5.185
135 HD13 ILE 15 3HD1 ILE 15 257.695 7.944 -6.523
136 H ARG 16 H ARG 16 254.579 8.819 -1.814
137 HA ARG 16 HA ARG 16 252.464 9.401 -1.233
138 HB2 ARG 16 1HB ARG 16 253.238 11.781 -2.913
139 HB3 ARG 16 2HB ARG 16 251.728 11.698 -2.013
140 HG2 ARG 16 1HG ARG 16 252.947 11.474 0.068
141 HG3 ARG 16 2HG ARG 16 254.478 11.472 -0.809
142 HD2 ARG 16 1HD ARG 16 254.087 13.734 -1.567
143 HD3 ARG 16 2HD ARG 16 252.491 13.738 -0.817
144 HE ARG 16 HE ARG 16 254.231 13.175 1.224
145 HH11 ARG 16 1HH1 ARG 16 253.903 15.769 -1.103
146 HH12 ARG 16 2HH1 ARG 16 254.522 16.981 -0.032
147 HH21 ARG 16 1HH2 ARG 16 255.050 14.774 2.637
148 HH22 ARG 16 2HH2 ARG 16 255.177 16.415 2.095
149 H ARG 17 H ARG 17 252.029 7.488 -2.683
150 HA ARG 17 HA ARG 17 250.353 8.230 -4.972
151 HB2 ARG 17 1HB ARG 17 252.136 6.491 -5.282
152 HB3 ARG 17 2HB ARG 17 251.303 5.488 -4.104
153 HG2 ARG 17 1HG ARG 17 250.702 4.684 -6.242
154 HG3 ARG 17 2HG ARG 17 249.298 5.547 -5.611
155 HD2 ARG 17 1HD ARG 17 249.926 7.513 -6.940
156 HD3 ARG 17 2HD ARG 17 251.314 6.639 -7.575
157 HE ARG 17 HE ARG 17 248.762 5.356 -8.018
158 HH11 ARG 17 1HH1 ARG 17 251.158 7.581 -9.253
159 HH12 ARG 17 2HH1 ARG 17 250.654 7.418 -10.904
160 HH21 ARG 17 1HH2 ARG 17 248.098 5.120 -10.203
161 HH22 ARG 17 2HH2 ARG 17 248.924 5.999 -11.448
162 H LYS 18 H LYS 18 248.227 8.353 -4.632
163 HA LYS 18 HA LYS 18 247.029 7.722 -2.162
164 HB2 LYS 18 1HB LYS 18 245.869 8.343 -4.873
165 HB3 LYS 18 2HB LYS 18 244.845 7.958 -3.501
166 HG2 LYS 18 1HG LYS 18 244.889 10.290 -3.587
167 HG3 LYS 18 2HG LYS 18 246.010 9.868 -2.293
168 HD2 LYS 18 1HD LYS 18 247.896 10.225 -3.748
169 HD3 LYS 18 2HD LYS 18 246.827 10.487 -5.127
170 HE2 LYS 18 1HE LYS 18 245.920 12.478 -4.068
171 HE3 LYS 18 2HE LYS 18 246.932 12.205 -2.652
172 HZ1 LYS 18 1HZ LYS 18 247.846 13.873 -4.170
173 HZ2 LYS 18 2HZ LYS 18 247.958 12.710 -5.391
174 HZ3 LYS 18 3HZ LYS 18 248.885 12.553 -3.986
175 H ALA 19 H ALA 19 245.973 5.968 -1.432
176 HA ALA 19 HA ALA 19 246.327 3.491 -2.848
177 HB1 ALA 19 1HB ALA 19 245.325 2.465 -0.883
178 HB2 ALA 19 2HB ALA 19 244.880 4.057 -0.262
179 HB3 ALA 19 3HB ALA 19 246.581 3.612 -0.418
180 H ASN 20 H ASN 20 244.696 2.120 -3.590
181 HA ASN 20 HA ASN 20 242.186 3.510 -4.251
182 HB2 ASN 20 1HB ASN 20 243.427 1.149 -5.688
183 HB3 ASN 20 2HB ASN 20 242.015 2.065 -6.198
184 HD21 ASN 20 1HD2 ASN 20 242.299 4.171 -7.010
185 HD22 ASN 20 2HD2 ASN 20 243.834 4.702 -7.601
186 H ALA 21 H ALA 21 243.596 0.811 -2.680
187 HA ALA 21 HA ALA 21 240.982 -0.089 -1.784
188 HB1 ALA 21 1HB ALA 21 241.446 -2.431 -2.311
189 HB2 ALA 21 2HB ALA 21 242.953 -1.961 -3.098
190 HB3 ALA 21 3HB ALA 21 241.406 -1.449 -3.775
191 H SER 22 H SER 22 241.268 -1.794 -0.055
192 HA SER 22 HA SER 22 243.780 -1.374 1.411
193 HB2 SER 22 1HB SER 22 241.035 -1.607 2.664
194 HB3 SER 22 2HB SER 22 242.554 -1.255 3.488
195 HG SER 22 HG SER 22 242.316 0.548 1.589
196 H CYS 23 H CYS 23 244.741 -3.179 2.130
197 HA CYS 23 HA CYS 23 243.704 -5.745 1.449
198 HB2 CYS 23 1HB CYS 23 246.115 -5.292 1.509
199 HB3 CYS 23 2HB CYS 23 246.017 -4.961 3.234
200 H LYS 24 H LYS 24 242.083 -6.662 2.504
201 HA LYS 24 HA LYS 24 241.028 -5.583 4.884
202 HB2 LYS 24 1HB LYS 24 240.399 -8.304 3.746
203 HB3 LYS 24 2HB LYS 24 239.371 -7.311 4.764
204 HG2 LYS 24 1HG LYS 24 240.195 -6.655 1.942
205 HG3 LYS 24 2HG LYS 24 238.638 -7.314 2.435
206 HD2 LYS 24 1HD LYS 24 238.219 -5.303 3.776
207 HD3 LYS 24 2HD LYS 24 239.776 -4.645 3.265
208 HE2 LYS 24 1HE LYS 24 239.032 -4.684 0.938
209 HE3 LYS 24 2HE LYS 24 237.482 -5.352 1.441
210 HZ1 LYS 24 1HZ LYS 24 237.334 -2.980 1.072
211 HZ2 LYS 24 2HZ LYS 24 238.550 -2.692 2.207
212 HZ3 LYS 24 3HZ LYS 24 237.069 -3.331 2.703
213 H LYS 25 H LYS 25 243.445 -7.950 4.362
214 HA LYS 25 HA LYS 25 242.948 -9.418 6.785
215 HB2 LYS 25 1HB LYS 25 245.325 -9.528 4.931
216 HB3 LYS 25 2HB LYS 25 244.957 -10.681 6.204
217 HG2 LYS 25 1HG LYS 25 243.298 -10.172 3.743
218 HG3 LYS 25 2HG LYS 25 244.357 -11.552 4.019
219 HD2 LYS 25 1HD LYS 25 241.928 -10.857 5.672
220 HD3 LYS 25 2HD LYS 25 241.984 -12.086 4.411
221 HE2 LYS 25 1HE LYS 25 243.610 -12.075 6.952
222 HE3 LYS 25 2HE LYS 25 242.201 -13.081 6.630
223 HZ1 LYS 25 1HZ LYS 25 244.780 -13.172 5.162
224 HZ2 LYS 25 2HZ LYS 25 243.426 -14.115 4.803
225 HZ3 LYS 25 3HZ LYS 25 244.229 -14.315 6.278
226 H CYS 26 H CYS 26 244.712 -6.560 6.024
227 HA CYS 26 HA CYS 26 245.851 -6.648 8.723
228 HB2 CYS 26 1HB CYS 26 248.032 -5.872 7.946
229 HB3 CYS 26 2HB CYS 26 247.621 -7.424 7.222
230 H LYS 27 H LYS 27 244.111 -4.947 6.474
231 HA LYS 27 HA LYS 27 243.218 -2.872 6.450
232 HB2 LYS 27 1HB LYS 27 244.511 -2.696 9.168
233 HB3 LYS 27 2HB LYS 27 243.520 -1.413 8.492
234 HG2 LYS 27 1HG LYS 27 242.588 -4.235 8.995
235 HG3 LYS 27 2HG LYS 27 242.290 -2.860 10.060
236 HD2 LYS 27 1HD LYS 27 241.349 -3.137 7.207
237 HD3 LYS 27 2HD LYS 27 240.353 -3.320 8.648
238 HE2 LYS 27 1HE LYS 27 240.780 -0.986 9.240
239 HE3 LYS 27 2HE LYS 27 241.789 -0.803 7.808
240 HZ1 LYS 27 1HZ LYS 27 239.847 -1.295 6.441
241 HZ2 LYS 27 2HZ LYS 27 239.592 0.065 7.410
242 HZ3 LYS 27 3HZ LYS 27 238.886 -1.411 7.828
243 H LYS 28 H LYS 28 246.094 -3.465 5.610
244 HA LYS 28 HA LYS 28 247.144 -0.741 5.617
245 HB2 LYS 28 1HB LYS 28 248.300 -3.334 4.580
246 HB3 LYS 28 2HB LYS 28 249.080 -1.771 4.385
247 HG2 LYS 28 1HG LYS 28 249.243 -1.522 6.793
248 HG3 LYS 28 2HG LYS 28 248.395 -3.052 7.025
249 HD2 LYS 28 1HD LYS 28 250.205 -4.236 5.901
250 HD3 LYS 28 2HD LYS 28 251.046 -2.712 5.625
251 HE2 LYS 28 1HE LYS 28 252.002 -3.871 7.533
252 HE3 LYS 28 2HE LYS 28 251.222 -2.378 8.050
253 HZ1 LYS 28 1HZ LYS 28 249.307 -3.672 8.756
254 HZ2 LYS 28 2HZ LYS 28 250.706 -4.206 9.533
255 HZ3 LYS 28 3HZ LYS 28 250.059 -5.102 8.257
256 H VAL 29 H VAL 29 247.256 0.522 3.812
257 HA VAL 29 HA VAL 29 245.285 -0.216 1.800
258 HB VAL 29 HB VAL 29 245.222 2.170 1.243
259 HG11 VAL 29 1HG1 VAL 29 243.726 1.330 2.950
260 HG12 VAL 29 2HG1 VAL 29 244.262 2.956 3.374
261 HG13 VAL 29 3HG1 VAL 29 244.964 1.556 4.184
262 HG21 VAL 29 1HG2 VAL 29 247.271 2.464 3.438
263 HG22 VAL 29 2HG2 VAL 29 246.431 3.793 2.638
264 HG23 VAL 29 3HG2 VAL 29 247.530 2.765 1.721
265 H ILE 30 H ILE 30 245.638 -0.020 -0.418
266 HA ILE 30 HA ILE 30 248.448 0.106 -1.255
267 HB ILE 30 HB ILE 30 248.057 -1.957 -2.652
268 HG12 ILE 30 1HG1 ILE 30 245.619 -2.117 -0.869
269 HG13 ILE 30 2HG1 ILE 30 245.658 -2.088 -2.626
270 HG21 ILE 30 1HG2 ILE 30 249.423 -2.001 -0.637
271 HG22 ILE 30 2HG2 ILE 30 248.515 -3.504 -0.806
272 HG23 ILE 30 3HG2 ILE 30 247.985 -2.279 0.348
273 HD11 ILE 30 1HD1 ILE 30 245.175 -4.305 -1.928
274 HD12 ILE 30 2HD1 ILE 30 246.539 -4.311 -0.811
275 HD13 ILE 30 3HD1 ILE 30 246.825 -4.289 -2.549
276 H CYS 31 H CYS 31 248.782 0.461 -3.465
277 HA CYS 31 HA CYS 31 246.605 1.841 -4.832
278 HB2 CYS 31 1HB CYS 31 248.299 2.689 -6.320
279 HB3 CYS 31 2HB CYS 31 248.940 2.816 -4.685
280 H ARG 32 H ARG 32 246.358 1.367 -7.249
281 HA ARG 32 HA ARG 32 245.612 -1.286 -7.607
282 HB2 ARG 32 1HB ARG 32 246.220 0.827 -9.662
283 HB3 ARG 32 2HB ARG 32 245.530 -0.738 -10.058
284 HG2 ARG 32 1HG ARG 32 244.290 1.329 -8.259
285 HG3 ARG 32 2HG ARG 32 243.825 0.984 -9.922
286 HD2 ARG 32 1HD ARG 32 243.602 -0.867 -7.552
287 HD3 ARG 32 2HD ARG 32 242.280 -0.094 -8.421
288 HE ARG 32 HE ARG 32 243.950 -1.807 -10.044
289 HH11 ARG 32 1HH1 ARG 32 241.119 -1.609 -8.000
290 HH12 ARG 32 2HH1 ARG 32 240.380 -3.029 -8.664
291 HH21 ARG 32 1HH2 ARG 32 242.985 -3.683 -10.920
292 HH22 ARG 32 2HH2 ARG 32 241.445 -4.217 -10.324
293 H GLU 33 H GLU 33 248.603 0.325 -8.503
294 HA GLU 33 HA GLU 33 249.725 -1.765 -10.023
295 HB2 GLU 33 1HB GLU 33 250.507 0.583 -10.063
296 HB3 GLU 33 2HB GLU 33 251.132 0.387 -8.434
297 HG2 GLU 33 1HG GLU 33 252.678 -1.330 -9.242
298 HG3 GLU 33 2HG GLU 33 252.061 -1.101 -10.877
299 H HIS 34 H HIS 34 249.351 -1.328 -6.628
300 HA HIS 34 HA HIS 34 251.157 -3.609 -6.118
301 HB2 HIS 34 1HB HIS 34 250.425 -1.257 -4.367
302 HB3 HIS 34 2HB HIS 34 251.150 -2.720 -3.715
303 HD2 HIS 34 HD2 HIS 34 253.376 -3.061 -6.174
304 HE1 HIS 34 HE1 HIS 34 254.752 0.623 -4.612
305 HE2 HIS 34 HE2 HIS 34 255.406 -1.469 -5.888
306 H ASN 35 H ASN 35 248.197 -3.370 -6.846
307 HA ASN 35 HA ASN 35 246.992 -4.434 -4.393
308 HB2 ASN 35 1HB ASN 35 245.881 -2.445 -5.042
309 HB3 ASN 35 2HB ASN 35 245.812 -2.952 -6.722
310 HD21 ASN 35 1HD2 ASN 35 244.175 -4.271 -7.406
311 HD22 ASN 35 2HD2 ASN 35 242.832 -4.707 -6.405
312 H ILE 36 H ILE 36 246.605 -6.487 -4.300
313 HA ILE 36 HA ILE 36 245.430 -7.801 -6.666
314 HB ILE 36 HB ILE 36 246.150 -9.968 -5.707
315 HG12 ILE 36 1HG1 ILE 36 247.703 -8.281 -3.727
316 HG13 ILE 36 2HG1 ILE 36 246.286 -9.249 -3.340
317 HG21 ILE 36 1HG2 ILE 36 248.407 -8.016 -6.141
318 HG22 ILE 36 2HG2 ILE 36 247.534 -8.896 -7.395
319 HG23 ILE 36 3HG2 ILE 36 248.536 -9.772 -6.237
320 HD11 ILE 36 1HD1 ILE 36 248.917 -10.315 -4.341
321 HD12 ILE 36 2HD1 ILE 36 247.502 -11.275 -3.905
322 HD13 ILE 36 3HD1 ILE 36 248.354 -10.347 -2.670
323 H ASP 37 H ASP 37 244.015 -6.138 -5.071
324 HA ASP 37 HA ASP 37 242.495 -5.703 -3.488
325 HB2 ASP 37 1HB ASP 37 240.568 -7.068 -3.343
326 HB3 ASP 37 2HB ASP 37 241.159 -7.210 -4.987
327 H MET 38 H MET 38 244.973 -7.381 -2.844
328 HA MET 38 HA MET 38 244.628 -7.281 0.013
329 HB2 MET 38 1HB MET 38 245.272 -9.848 -1.460
330 HB3 MET 38 2HB MET 38 245.713 -9.595 0.221
331 HG2 MET 38 1HG MET 38 242.912 -9.530 -0.870
332 HG3 MET 38 2HG MET 38 243.655 -10.891 -0.032
333 HE1 MET 38 1HE MET 38 240.857 -9.590 0.874
334 HE2 MET 38 2HE MET 38 241.108 -9.678 2.616
335 HE3 MET 38 3HE MET 38 241.655 -10.994 1.581
336 H CYS 39 H CYS 39 246.907 -7.820 0.983
337 HA CYS 39 HA CYS 39 248.901 -6.755 -0.893
338 HB2 CYS 39 1HB CYS 39 249.977 -5.682 0.842
339 HB3 CYS 39 2HB CYS 39 248.317 -5.619 1.419
340 H GLN 40 H GLN 40 250.955 -7.703 -0.961
341 HA GLN 40 HA GLN 40 250.802 -10.483 -1.224
342 HB2 GLN 40 1HB GLN 40 253.172 -10.384 -1.818
343 HB3 GLN 40 2HB GLN 40 252.256 -9.106 -2.605
344 HG2 GLN 40 1HG GLN 40 253.031 -7.556 -0.812
345 HG3 GLN 40 2HG GLN 40 254.073 -8.849 -0.227
346 HE21 GLN 40 1HE2 GLN 40 255.939 -7.674 -0.623
347 HE22 GLN 40 2HE2 GLN 40 256.528 -7.389 -2.225
348 H SER 41 H SER 41 251.568 -8.642 1.562
349 HA SER 41 HA SER 41 253.173 -10.656 2.832
350 HB2 SER 41 1HB SER 41 253.389 -8.275 3.442
351 HB3 SER 41 2HB SER 41 251.732 -8.281 4.039
352 HG SER 41 HG SER 41 253.884 -9.847 5.047
353 H CYS 42 H CYS 42 249.829 -10.170 2.325
354 HA CYS 42 HA CYS 42 249.161 -12.081 4.459
355 HB2 CYS 42 1HB CYS 42 247.356 -10.221 2.900
356 HB3 CYS 42 2HB CYS 42 246.818 -11.347 4.140
357 H PHE 43 H PHE 43 249.936 -12.101 1.291
358 HA PHE 43 HA PHE 43 247.853 -13.793 0.267
359 HB2 PHE 43 1HB PHE 43 249.118 -12.274 -1.212
360 HB3 PHE 43 2HB PHE 43 250.589 -13.175 -0.874
361 HD1 PHE 43 HD1 PHE 43 247.298 -13.317 -2.511
362 HD2 PHE 43 HD2 PHE 43 251.066 -15.222 -1.992
363 HE1 PHE 43 HE1 PHE 43 246.795 -14.818 -4.394
364 HE2 PHE 43 HE2 PHE 43 250.570 -16.724 -3.875
365 HZ PHE 43 HZ PHE 43 248.431 -16.523 -5.079
Start of MODEL 23
1 H1 VAL 1 1H VAL 1 248.584 10.865 17.060
2 H2 VAL 1 2H VAL 1 249.673 11.165 15.803
3 H3 VAL 1 3H VAL 1 249.638 9.650 16.545
4 HA VAL 1 HA VAL 1 247.435 9.238 15.727
5 HB VAL 1 HB VAL 1 246.605 11.523 15.681
6 HG11 VAL 1 1HG1 VAL 1 248.593 12.706 14.989
7 HG12 VAL 1 2HG1 VAL 1 247.261 13.095 13.900
8 HG13 VAL 1 3HG1 VAL 1 248.515 11.964 13.392
9 HG21 VAL 1 1HG2 VAL 1 245.438 9.951 14.277
10 HG22 VAL 1 2HG2 VAL 1 246.574 10.229 12.959
11 HG23 VAL 1 3HG2 VAL 1 245.488 11.520 13.475
12 H MET 2 H MET 2 247.525 7.766 14.142
13 HA MET 2 HA MET 2 249.697 8.048 12.177
14 HB2 MET 2 1HB MET 2 249.845 5.551 12.188
15 HB3 MET 2 2HB MET 2 250.330 6.311 13.693
16 HG2 MET 2 1HG MET 2 247.597 5.144 13.260
17 HG3 MET 2 2HG MET 2 248.955 4.209 13.878
18 HE1 MET 2 1HE MET 2 246.289 4.326 15.485
19 HE2 MET 2 2HE MET 2 246.860 4.663 17.119
20 HE3 MET 2 3HE MET 2 247.739 3.529 16.094
21 H LYS 3 H LYS 3 247.444 9.145 11.432
22 HA LYS 3 HA LYS 3 246.080 7.186 9.718
23 HB2 LYS 3 1HB LYS 3 245.255 9.933 10.659
24 HB3 LYS 3 2HB LYS 3 244.418 9.080 9.372
25 HG2 LYS 3 1HG LYS 3 244.764 8.006 12.162
26 HG3 LYS 3 2HG LYS 3 243.340 8.882 11.599
27 HD2 LYS 3 1HD LYS 3 243.017 7.167 9.853
28 HD3 LYS 3 2HD LYS 3 244.397 6.281 10.495
29 HE2 LYS 3 1HE LYS 3 241.843 6.903 11.974
30 HE3 LYS 3 2HE LYS 3 242.287 5.341 11.292
31 HZ1 LYS 3 1HZ LYS 3 243.716 6.760 13.473
32 HZ2 LYS 3 2HZ LYS 3 244.185 5.281 12.803
33 HZ3 LYS 3 3HZ LYS 3 242.729 5.400 13.650
34 H LYS 4 H LYS 4 248.354 7.446 8.683
35 HA LYS 4 HA LYS 4 248.240 9.601 6.684
36 HB2 LYS 4 1HB LYS 4 250.583 7.923 7.600
37 HB3 LYS 4 2HB LYS 4 250.652 9.123 6.317
38 HG2 LYS 4 1HG LYS 4 249.924 9.717 9.176
39 HG3 LYS 4 2HG LYS 4 251.531 9.933 8.477
40 HD2 LYS 4 1HD LYS 4 250.612 11.525 6.861
41 HD3 LYS 4 2HD LYS 4 249.006 11.304 7.554
42 HE2 LYS 4 1HE LYS 4 250.116 13.351 8.355
43 HE3 LYS 4 2HE LYS 4 249.738 12.228 9.657
44 HZ1 LYS 4 1HZ LYS 4 252.024 11.503 9.674
45 HZ2 LYS 4 2HZ LYS 4 251.958 13.180 9.870
46 HZ3 LYS 4 3HZ LYS 4 252.399 12.522 8.378
47 H ARG 5 H ARG 5 246.687 7.184 6.642
48 HA ARG 5 HA ARG 5 247.938 5.374 4.764
49 HB2 ARG 5 1HB ARG 5 245.110 5.380 5.833
50 HB3 ARG 5 2HB ARG 5 245.895 4.064 4.975
51 HG2 ARG 5 1HG ARG 5 247.501 3.830 6.803
52 HG3 ARG 5 2HG ARG 5 246.700 5.141 7.668
53 HD2 ARG 5 1HD ARG 5 245.411 2.538 6.859
54 HD3 ARG 5 2HD ARG 5 246.019 2.914 8.470
55 HE ARG 5 HE ARG 5 244.096 4.826 7.532
56 HH11 ARG 5 1HH1 ARG 5 244.497 1.706 9.072
57 HH12 ARG 5 2HH1 ARG 5 242.939 1.734 9.834
58 HH21 ARG 5 1HH2 ARG 5 242.034 4.871 8.549
59 HH22 ARG 5 2HH2 ARG 5 241.540 3.533 9.537
60 H THR 6 H THR 6 247.763 7.900 3.693
61 HA THR 6 HA THR 6 245.486 7.983 1.890
62 HB THR 6 HB THR 6 247.893 9.806 2.091
63 HG1 THR 6 HG1 THR 6 245.247 10.431 2.898
64 HG21 THR 6 1HG2 THR 6 246.565 11.379 0.758
65 HG22 THR 6 2HG2 THR 6 245.293 10.169 0.600
66 HG23 THR 6 3HG2 THR 6 246.873 9.884 -0.128
67 H TYR 7 H TYR 7 248.872 7.177 1.869
68 HA TYR 7 HA TYR 7 248.750 6.710 -1.029
69 HB2 TYR 7 1HB TYR 7 251.122 7.417 0.708
70 HB3 TYR 7 2HB TYR 7 251.231 6.984 -0.995
71 HD1 TYR 7 HD1 TYR 7 250.756 9.637 1.332
72 HD2 TYR 7 HD2 TYR 7 249.911 8.435 -2.658
73 HE1 TYR 7 HE1 TYR 7 250.370 11.984 0.714
74 HE2 TYR 7 HE2 TYR 7 249.528 10.775 -3.288
75 HH TYR 7 HH TYR 7 250.416 13.385 -1.312
76 H CYS 8 H CYS 8 249.845 4.909 -1.855
77 HA CYS 8 HA CYS 8 249.293 2.510 -0.578
78 HB2 CYS 8 1HB CYS 8 249.499 2.513 -2.925
79 HB3 CYS 8 2HB CYS 8 251.098 3.232 -2.872
80 H THR 9 H THR 9 250.245 1.374 0.926
81 HA THR 9 HA THR 9 252.425 2.333 2.405
82 HB THR 9 HB THR 9 251.361 -0.494 2.424
83 HG1 THR 9 HG1 THR 9 249.587 0.821 2.685
84 HG21 THR 9 1HG2 THR 9 252.667 1.212 4.545
85 HG22 THR 9 2HG2 THR 9 253.357 -0.212 3.765
86 HG23 THR 9 3HG2 THR 9 251.956 -0.377 4.824
87 H TYR 10 H TYR 10 252.269 0.137 -0.296
88 HA TYR 10 HA TYR 10 254.958 -0.860 0.118
89 HB2 TYR 10 1HB TYR 10 252.819 -1.378 -1.921
90 HB3 TYR 10 2HB TYR 10 254.474 -1.900 -2.217
91 HD1 TYR 10 HD1 TYR 10 254.938 -4.074 -1.690
92 HD2 TYR 10 HD2 TYR 10 252.006 -2.016 0.599
93 HE1 TYR 10 HE1 TYR 10 254.566 -6.103 -0.355
94 HE2 TYR 10 HE2 TYR 10 251.626 -4.034 1.943
95 HH TYR 10 HH TYR 10 253.723 -6.664 1.930
96 H CYS 11 H CYS 11 253.429 1.722 -1.492
97 HA CYS 11 HA CYS 11 255.708 2.215 -3.244
98 HB2 CYS 11 1HB CYS 11 252.972 3.409 -2.972
99 HB3 CYS 11 2HB CYS 11 254.234 4.291 -3.816
100 HA PRO 12 HA PRO 12 257.497 5.127 -0.387
101 HB2 PRO 12 1HB PRO 12 258.434 6.691 -2.682
102 HB3 PRO 12 2HB PRO 12 259.375 5.825 -1.469
103 HG2 PRO 12 1HG PRO 12 259.198 4.981 -4.028
104 HG3 PRO 12 2HG PRO 12 259.359 3.859 -2.664
105 HD2 PRO 12 1HD PRO 12 256.924 4.604 -4.235
106 HD3 PRO 12 2HD PRO 12 257.421 3.019 -3.603
107 H SER 13 H SER 13 256.503 6.742 0.633
108 HA SER 13 HA SER 13 254.166 7.913 -0.363
109 HB2 SER 13 1HB SER 13 255.870 8.826 1.964
110 HB3 SER 13 2HB SER 13 254.180 9.243 1.688
111 HG SER 13 HG SER 13 253.888 7.530 2.899
112 H LYS 14 H LYS 14 257.466 8.918 -0.667
113 HA LYS 14 HA LYS 14 256.813 11.646 -1.335
114 HB2 LYS 14 1HB LYS 14 259.389 10.094 -1.603
115 HB3 LYS 14 2HB LYS 14 259.221 11.809 -1.949
116 HG2 LYS 14 1HG LYS 14 258.747 10.499 0.718
117 HG3 LYS 14 2HG LYS 14 260.169 11.437 0.260
118 HD2 LYS 14 1HD LYS 14 258.756 13.408 -0.077
119 HD3 LYS 14 2HD LYS 14 257.336 12.468 0.378
120 HE2 LYS 14 1HE LYS 14 258.301 12.096 2.598
121 HE3 LYS 14 2HE LYS 14 259.706 13.058 2.143
122 HZ1 LYS 14 1HZ LYS 14 256.909 14.044 2.260
123 HZ2 LYS 14 2HZ LYS 14 258.265 14.966 1.848
124 HZ3 LYS 14 3HZ LYS 14 258.107 14.349 3.412
125 H ILE 15 H ILE 15 256.596 8.741 -2.964
126 HA ILE 15 HA ILE 15 256.961 9.945 -5.600
127 HB ILE 15 HB ILE 15 256.200 7.125 -4.807
128 HG12 ILE 15 1HG1 ILE 15 258.498 7.743 -4.221
129 HG13 ILE 15 2HG1 ILE 15 258.476 6.554 -5.519
130 HG21 ILE 15 1HG2 ILE 15 256.929 8.163 -7.542
131 HG22 ILE 15 2HG2 ILE 15 255.297 7.750 -7.017
132 HG23 ILE 15 3HG2 ILE 15 256.536 6.497 -7.116
133 HD11 ILE 15 1HD1 ILE 15 260.149 8.223 -5.954
134 HD12 ILE 15 2HD1 ILE 15 258.959 9.512 -5.790
135 HD13 ILE 15 3HD1 ILE 15 258.850 8.377 -7.136
136 H ARG 16 H ARG 16 254.622 9.501 -3.262
137 HA ARG 16 HA ARG 16 252.463 10.135 -3.073
138 HB2 ARG 16 1HB ARG 16 253.072 11.531 -5.674
139 HB3 ARG 16 2HB ARG 16 251.595 11.768 -4.752
140 HG2 ARG 16 1HG ARG 16 252.850 12.657 -2.891
141 HG3 ARG 16 2HG ARG 16 254.371 12.320 -3.723
142 HD2 ARG 16 1HD ARG 16 252.221 14.203 -4.682
143 HD3 ARG 16 2HD ARG 16 253.731 14.683 -3.907
144 HE ARG 16 HE ARG 16 254.624 13.247 -5.979
145 HH11 ARG 16 1HH1 ARG 16 252.227 15.789 -5.809
146 HH12 ARG 16 2HH1 ARG 16 252.531 16.359 -7.418
147 HH21 ARG 16 1HH2 ARG 16 255.024 13.978 -8.094
148 HH22 ARG 16 2HH2 ARG 16 254.122 15.317 -8.727
149 H ARG 17 H ARG 17 252.787 7.574 -4.046
150 HA ARG 17 HA ARG 17 250.915 7.228 -6.226
151 HB2 ARG 17 1HB ARG 17 252.349 5.228 -4.474
152 HB3 ARG 17 2HB ARG 17 251.249 4.782 -5.771
153 HG2 ARG 17 1HG ARG 17 253.733 6.430 -6.171
154 HG3 ARG 17 2HG ARG 17 253.669 4.678 -6.361
155 HD2 ARG 17 1HD ARG 17 251.954 4.949 -8.105
156 HD3 ARG 17 2HD ARG 17 252.060 6.700 -7.927
157 HE ARG 17 HE ARG 17 254.474 6.395 -8.595
158 HH11 ARG 17 1HH1 ARG 17 251.927 4.245 -9.699
159 HH12 ARG 17 2HH1 ARG 17 252.790 3.777 -11.131
160 HH21 ARG 17 1HH2 ARG 17 255.596 5.759 -10.471
161 HH22 ARG 17 2HH2 ARG 17 254.873 4.615 -11.555
162 H LYS 18 H LYS 18 248.869 7.560 -5.810
163 HA LYS 18 HA LYS 18 247.729 7.520 -3.226
164 HB2 LYS 18 1HB LYS 18 246.507 7.620 -5.983
165 HB3 LYS 18 2HB LYS 18 245.529 7.628 -4.525
166 HG2 LYS 18 1HG LYS 18 245.751 9.873 -5.248
167 HG3 LYS 18 2HG LYS 18 246.756 9.689 -3.812
168 HD2 LYS 18 1HD LYS 18 248.746 9.581 -5.143
169 HD3 LYS 18 2HD LYS 18 247.805 9.522 -6.632
170 HE2 LYS 18 1HE LYS 18 247.751 11.836 -4.707
171 HE3 LYS 18 2HE LYS 18 248.821 11.753 -6.104
172 HZ1 LYS 18 1HZ LYS 18 245.856 11.648 -6.219
173 HZ2 LYS 18 2HZ LYS 18 246.905 11.650 -7.545
174 HZ3 LYS 18 3HZ LYS 18 246.793 13.015 -6.553
175 H ALA 19 H ALA 19 246.679 5.975 -2.131
176 HA ALA 19 HA ALA 19 246.836 3.275 -3.129
177 HB1 ALA 19 1HB ALA 19 246.087 2.613 -0.938
178 HB2 ALA 19 2HB ALA 19 245.681 4.283 -0.536
179 HB3 ALA 19 3HB ALA 19 247.365 3.819 -0.787
180 H ASN 20 H ASN 20 245.368 2.927 -4.724
181 HA ASN 20 HA ASN 20 242.619 3.793 -4.434
182 HB2 ASN 20 1HB ASN 20 244.000 2.192 -6.592
183 HB3 ASN 20 2HB ASN 20 242.283 2.547 -6.608
184 HD21 ASN 20 1HD2 ASN 20 244.917 4.697 -5.625
185 HD22 ASN 20 2HD2 ASN 20 244.653 5.859 -6.874
186 H ALA 21 H ALA 21 244.223 1.482 -2.943
187 HA ALA 21 HA ALA 21 241.890 -0.208 -2.644
188 HB1 ALA 21 1HB ALA 21 244.530 -1.309 -3.602
189 HB2 ALA 21 2HB ALA 21 243.020 -1.266 -4.511
190 HB3 ALA 21 3HB ALA 21 243.156 -2.279 -3.075
191 H SER 22 H SER 22 242.366 -1.935 -0.955
192 HA SER 22 HA SER 22 244.484 -1.244 0.904
193 HB2 SER 22 1HB SER 22 242.827 -1.247 2.812
194 HB3 SER 22 2HB SER 22 242.713 0.149 1.740
195 HG SER 22 HG SER 22 240.873 -0.641 0.875
196 H CYS 23 H CYS 23 245.284 -3.003 1.926
197 HA CYS 23 HA CYS 23 244.310 -5.600 1.188
198 HB2 CYS 23 1HB CYS 23 246.702 -5.222 1.512
199 HB3 CYS 23 2HB CYS 23 246.421 -4.752 3.183
200 H LYS 24 H LYS 24 242.556 -6.431 2.075
201 HA LYS 24 HA LYS 24 241.304 -5.264 4.335
202 HB2 LYS 24 1HB LYS 24 240.699 -7.834 2.870
203 HB3 LYS 24 2HB LYS 24 239.635 -7.061 4.037
204 HG2 LYS 24 1HG LYS 24 239.316 -5.177 2.614
205 HG3 LYS 24 2HG LYS 24 240.569 -5.732 1.503
206 HD2 LYS 24 1HD LYS 24 238.375 -6.200 0.590
207 HD3 LYS 24 2HD LYS 24 239.202 -7.706 0.980
208 HE2 LYS 24 1HE LYS 24 237.934 -7.861 3.066
209 HE3 LYS 24 2HE LYS 24 237.112 -6.350 2.679
210 HZ1 LYS 24 1HZ LYS 24 236.208 -7.420 0.694
211 HZ2 LYS 24 2HZ LYS 24 235.742 -8.230 2.103
212 HZ3 LYS 24 3HZ LYS 24 236.959 -8.873 1.125
213 H LYS 25 H LYS 25 243.682 -7.661 4.045
214 HA LYS 25 HA LYS 25 242.947 -9.178 6.357
215 HB2 LYS 25 1HB LYS 25 244.259 -10.041 4.386
216 HB3 LYS 25 2HB LYS 25 245.631 -9.124 4.990
217 HG2 LYS 25 1HG LYS 25 245.858 -11.402 5.680
218 HG3 LYS 25 2HG LYS 25 245.506 -10.418 7.100
219 HD2 LYS 25 1HD LYS 25 243.200 -11.127 7.069
220 HD3 LYS 25 2HD LYS 25 243.454 -11.999 5.557
221 HE2 LYS 25 1HE LYS 25 243.441 -13.519 7.468
222 HE3 LYS 25 2HE LYS 25 245.011 -13.501 6.671
223 HZ1 LYS 25 1HZ LYS 25 245.168 -13.452 9.101
224 HZ2 LYS 25 2HZ LYS 25 244.350 -11.974 9.128
225 HZ3 LYS 25 3HZ LYS 25 245.868 -12.089 8.391
226 H CYS 26 H CYS 26 244.968 -6.356 5.786
227 HA CYS 26 HA CYS 26 245.585 -6.353 8.665
228 HB2 CYS 26 1HB CYS 26 247.831 -5.468 8.203
229 HB3 CYS 26 2HB CYS 26 247.601 -7.066 7.498
230 H LYS 27 H LYS 27 244.171 -4.731 6.164
231 HA LYS 27 HA LYS 27 243.360 -2.661 5.840
232 HB2 LYS 27 1HB LYS 27 243.970 -2.409 8.778
233 HB3 LYS 27 2HB LYS 27 243.189 -1.135 7.854
234 HG2 LYS 27 1HG LYS 27 242.130 -3.937 8.183
235 HG3 LYS 27 2HG LYS 27 241.586 -2.525 9.090
236 HD2 LYS 27 1HD LYS 27 240.897 -1.464 6.970
237 HD3 LYS 27 2HD LYS 27 241.389 -2.918 6.101
238 HE2 LYS 27 1HE LYS 27 239.754 -4.223 7.383
239 HE3 LYS 27 2HE LYS 27 239.254 -2.757 8.223
240 HZ1 LYS 27 1HZ LYS 27 239.052 -3.185 5.294
241 HZ2 LYS 27 2HZ LYS 27 238.499 -1.835 6.146
242 HZ3 LYS 27 3HZ LYS 27 237.772 -3.342 6.386
243 H LYS 28 H LYS 28 246.201 -3.215 5.397
244 HA LYS 28 HA LYS 28 247.305 -0.516 5.569
245 HB2 LYS 28 1HB LYS 28 248.432 -3.128 4.559
246 HB3 LYS 28 2HB LYS 28 249.232 -1.592 4.268
247 HG2 LYS 28 1HG LYS 28 249.463 -1.234 6.659
248 HG3 LYS 28 2HG LYS 28 248.607 -2.746 6.980
249 HD2 LYS 28 1HD LYS 28 250.357 -4.008 5.878
250 HD3 LYS 28 2HD LYS 28 251.189 -2.518 5.433
251 HE2 LYS 28 1HE LYS 28 251.559 -2.010 7.787
252 HE3 LYS 28 2HE LYS 28 250.687 -3.471 8.249
253 HZ1 LYS 28 1HZ LYS 28 253.207 -3.388 6.682
254 HZ2 LYS 28 2HZ LYS 28 252.370 -4.786 7.129
255 HZ3 LYS 28 3HZ LYS 28 253.072 -3.809 8.315
256 H VAL 29 H VAL 29 247.169 0.893 3.943
257 HA VAL 29 HA VAL 29 245.524 0.207 1.698
258 HB VAL 29 HB VAL 29 245.815 2.567 1.018
259 HG11 VAL 29 1HG1 VAL 29 245.075 2.137 3.905
260 HG12 VAL 29 2HG1 VAL 29 244.011 1.960 2.511
261 HG13 VAL 29 3HG1 VAL 29 244.644 3.548 2.941
262 HG21 VAL 29 1HG2 VAL 29 248.101 2.898 1.833
263 HG22 VAL 29 2HG2 VAL 29 247.520 2.791 3.495
264 HG23 VAL 29 3HG2 VAL 29 247.002 4.125 2.463
265 H ILE 30 H ILE 30 246.073 0.093 -0.441
266 HA ILE 30 HA ILE 30 248.910 0.220 -1.150
267 HB ILE 30 HB ILE 30 248.668 -1.965 -2.395
268 HG12 ILE 30 1HG1 ILE 30 246.280 -2.288 -0.562
269 HG13 ILE 30 2HG1 ILE 30 246.204 -2.089 -2.308
270 HG21 ILE 30 1HG2 ILE 30 249.985 -1.793 -0.365
271 HG22 ILE 30 2HG2 ILE 30 249.148 -3.344 -0.424
272 HG23 ILE 30 3HG2 ILE 30 248.544 -2.055 0.616
273 HD11 ILE 30 1HD1 ILE 30 245.908 -4.409 -1.663
274 HD12 ILE 30 2HD1 ILE 30 247.475 -4.393 -0.849
275 HD13 ILE 30 3HD1 ILE 30 247.386 -4.194 -2.597
276 H CYS 31 H CYS 31 249.210 0.032 -3.524
277 HA CYS 31 HA CYS 31 247.049 1.441 -4.894
278 HB2 CYS 31 1HB CYS 31 248.686 2.082 -6.533
279 HB3 CYS 31 2HB CYS 31 249.426 2.317 -4.957
280 H ARG 32 H ARG 32 246.216 0.688 -6.876
281 HA ARG 32 HA ARG 32 245.970 -2.141 -7.095
282 HB2 ARG 32 1HB ARG 32 245.131 0.052 -8.999
283 HB3 ARG 32 2HB ARG 32 244.671 -1.638 -9.148
284 HG2 ARG 32 1HG ARG 32 243.516 -1.504 -6.991
285 HG3 ARG 32 2HG ARG 32 243.952 0.203 -6.878
286 HD2 ARG 32 1HD ARG 32 242.210 -1.093 -8.970
287 HD3 ARG 32 2HD ARG 32 241.691 0.008 -7.695
288 HE ARG 32 HE ARG 32 243.545 1.441 -9.085
289 HH11 ARG 32 1HH1 ARG 32 240.621 -0.261 -9.965
290 HH12 ARG 32 2HH1 ARG 32 240.267 0.779 -11.305
291 HH21 ARG 32 1HH2 ARG 32 243.085 2.812 -10.850
292 HH22 ARG 32 2HH2 ARG 32 241.671 2.523 -11.812
293 H GLU 33 H GLU 33 248.352 -0.058 -8.015
294 HA GLU 33 HA GLU 33 249.236 -1.505 -10.356
295 HB2 GLU 33 1HB GLU 33 250.679 0.608 -8.742
296 HB3 GLU 33 2HB GLU 33 251.104 0.049 -10.355
297 HG2 GLU 33 1HG GLU 33 248.996 0.951 -11.215
298 HG3 GLU 33 2HG GLU 33 248.596 1.534 -9.600
299 H HIS 34 H HIS 34 249.417 -1.773 -7.004
300 HA HIS 34 HA HIS 34 251.731 -3.573 -7.177
301 HB2 HIS 34 1HB HIS 34 250.704 -1.806 -5.038
302 HB3 HIS 34 2HB HIS 34 251.242 -3.394 -4.499
303 HD2 HIS 34 HD2 HIS 34 253.809 -3.635 -6.534
304 HE1 HIS 34 HE1 HIS 34 255.130 -0.215 -4.432
305 HE2 HIS 34 HE2 HIS 34 255.854 -2.268 -5.731
306 H ASN 35 H ASN 35 248.414 -3.313 -5.951
307 HA ASN 35 HA ASN 35 247.753 -5.907 -6.847
308 HB2 ASN 35 1HB ASN 35 249.111 -6.443 -4.758
309 HB3 ASN 35 2HB ASN 35 247.818 -5.689 -3.838
310 HD21 ASN 35 1HD2 ASN 35 248.759 -8.429 -5.736
311 HD22 ASN 35 2HD2 ASN 35 247.378 -9.405 -5.372
312 H ILE 36 H ILE 36 245.504 -6.517 -6.048
313 HA ILE 36 HA ILE 36 243.931 -4.099 -6.290
314 HB ILE 36 HB ILE 36 243.461 -5.921 -7.819
315 HG12 ILE 36 1HG1 ILE 36 241.002 -6.137 -7.432
316 HG13 ILE 36 2HG1 ILE 36 241.229 -5.413 -5.843
317 HG21 ILE 36 1HG2 ILE 36 242.756 -7.518 -5.368
318 HG22 ILE 36 2HG2 ILE 36 244.092 -7.816 -6.480
319 HG23 ILE 36 3HG2 ILE 36 242.428 -8.012 -7.028
320 HD11 ILE 36 1HD1 ILE 36 242.019 -3.364 -6.864
321 HD12 ILE 36 2HD1 ILE 36 240.430 -3.801 -7.492
322 HD13 ILE 36 3HD1 ILE 36 241.871 -4.086 -8.465
323 H ASP 37 H ASP 37 244.435 -6.668 -3.886
324 HA ASP 37 HA ASP 37 243.367 -4.962 -1.849
325 HB2 ASP 37 1HB ASP 37 241.438 -6.208 -1.174
326 HB3 ASP 37 2HB ASP 37 241.275 -5.856 -2.889
327 H MET 38 H MET 38 245.594 -7.089 -2.597
328 HA MET 38 HA MET 38 245.670 -8.233 0.111
329 HB2 MET 38 1HB MET 38 246.270 -9.689 -2.474
330 HB3 MET 38 2HB MET 38 246.650 -10.317 -0.878
331 HG2 MET 38 1HG MET 38 244.324 -10.426 -0.302
332 HG3 MET 38 2HG MET 38 243.873 -9.617 -1.802
333 HE1 MET 38 1HE MET 38 246.659 -12.377 -1.410
334 HE2 MET 38 2HE MET 38 245.723 -13.848 -1.670
335 HE3 MET 38 3HE MET 38 245.442 -12.867 -0.232
336 H CYS 39 H CYS 39 247.510 -7.749 1.136
337 HA CYS 39 HA CYS 39 249.807 -6.900 -0.472
338 HB2 CYS 39 1HB CYS 39 250.538 -5.654 1.315
339 HB3 CYS 39 2HB CYS 39 248.814 -5.653 1.658
340 H GLN 40 H GLN 40 251.942 -7.748 0.068
341 HA GLN 40 HA GLN 40 251.793 -10.609 0.115
342 HB2 GLN 40 1HB GLN 40 254.124 -8.715 -0.124
343 HB3 GLN 40 2HB GLN 40 254.291 -10.464 -0.161
344 HG2 GLN 40 1HG GLN 40 252.808 -10.536 -2.124
345 HG3 GLN 40 2HG GLN 40 252.743 -8.774 -2.106
346 HE21 GLN 40 1HE2 GLN 40 254.740 -11.560 -2.691
347 HE22 GLN 40 2HE2 GLN 40 256.008 -10.726 -3.526
348 H SER 41 H SER 41 252.072 -8.315 2.540
349 HA SER 41 HA SER 41 253.697 -9.919 4.315
350 HB2 SER 41 1HB SER 41 253.678 -7.419 4.404
351 HB3 SER 41 2HB SER 41 252.006 -7.487 4.953
352 HG SER 41 HG SER 41 253.141 -9.042 6.601
353 H CYS 42 H CYS 42 250.693 -10.284 3.157
354 HA CYS 42 HA CYS 42 249.688 -11.486 5.647
355 HB2 CYS 42 1HB CYS 42 248.191 -10.098 3.434
356 HB3 CYS 42 2HB CYS 42 247.395 -11.150 4.596
357 H PHE 43 H PHE 43 247.940 -13.162 5.119
358 HA PHE 43 HA PHE 43 247.375 -15.193 4.317
359 HB2 PHE 43 1HB PHE 43 248.147 -13.900 1.695
360 HB3 PHE 43 2HB PHE 43 247.261 -15.414 1.843
361 HD1 PHE 43 HD1 PHE 43 244.958 -15.431 2.648
362 HD2 PHE 43 HD2 PHE 43 247.089 -11.788 2.123
363 HE1 PHE 43 HE1 PHE 43 242.843 -14.183 2.764
364 HE2 PHE 43 HE2 PHE 43 244.979 -10.533 2.238
365 HZ PHE 43 HZ PHE 43 242.852 -11.729 2.560
Start of MODEL 24
1 H1 VAL 1 1H VAL 1 250.883 12.716 12.684
2 H2 VAL 1 2H VAL 1 252.530 12.509 12.369
3 H3 VAL 1 3H VAL 1 251.627 11.234 13.017
4 HA VAL 1 HA VAL 1 251.250 12.432 10.338
5 HB VAL 1 HB VAL 1 252.282 9.678 11.049
6 HG11 VAL 1 1HG1 VAL 1 251.060 9.805 8.928
7 HG12 VAL 1 2HG1 VAL 1 252.776 9.491 8.672
8 HG13 VAL 1 3HG1 VAL 1 252.125 11.105 8.394
9 HG21 VAL 1 1HG2 VAL 1 253.821 12.055 10.005
10 HG22 VAL 1 2HG2 VAL 1 254.461 10.432 10.258
11 HG23 VAL 1 3HG2 VAL 1 253.929 11.394 11.635
12 H MET 2 H MET 2 249.122 12.460 10.019
13 HA MET 2 HA MET 2 247.557 10.102 10.841
14 HB2 MET 2 1HB MET 2 246.683 12.992 10.639
15 HB3 MET 2 2HB MET 2 245.591 11.647 10.931
16 HG2 MET 2 1HG MET 2 247.869 12.460 12.723
17 HG3 MET 2 2HG MET 2 246.173 12.855 12.980
18 HE1 MET 2 1HE MET 2 247.979 11.459 15.191
19 HE2 MET 2 2HE MET 2 246.869 10.228 15.791
20 HE3 MET 2 3HE MET 2 246.275 11.846 15.423
21 H LYS 3 H LYS 3 245.749 9.567 9.450
22 HA LYS 3 HA LYS 3 244.901 8.964 7.440
23 HB2 LYS 3 1HB LYS 3 245.744 11.781 6.857
24 HB3 LYS 3 2HB LYS 3 245.157 10.758 5.555
25 HG2 LYS 3 1HG LYS 3 243.345 12.083 6.373
26 HG3 LYS 3 2HG LYS 3 243.068 10.406 6.839
27 HD2 LYS 3 1HD LYS 3 243.918 10.900 9.086
28 HD3 LYS 3 2HD LYS 3 244.171 12.581 8.614
29 HE2 LYS 3 1HE LYS 3 242.091 12.331 9.855
30 HE3 LYS 3 2HE LYS 3 241.776 12.824 8.192
31 HZ1 LYS 3 1HZ LYS 3 241.553 10.055 9.240
32 HZ2 LYS 3 2HZ LYS 3 241.237 10.538 7.652
33 HZ3 LYS 3 3HZ LYS 3 240.257 11.090 8.910
34 H LYS 4 H LYS 4 247.076 7.688 7.920
35 HA LYS 4 HA LYS 4 249.063 8.008 5.854
36 HB2 LYS 4 1HB LYS 4 248.637 5.781 7.855
37 HB3 LYS 4 2HB LYS 4 250.033 5.938 6.799
38 HG2 LYS 4 1HG LYS 4 250.669 8.001 7.894
39 HG3 LYS 4 2HG LYS 4 249.226 7.931 8.907
40 HD2 LYS 4 1HD LYS 4 251.116 7.147 10.177
41 HD3 LYS 4 2HD LYS 4 250.043 5.787 9.844
42 HE2 LYS 4 1HE LYS 4 251.497 5.077 8.018
43 HE3 LYS 4 2HE LYS 4 252.557 6.455 8.312
44 HZ1 LYS 4 1HZ LYS 4 253.045 5.570 10.504
45 HZ2 LYS 4 2HZ LYS 4 253.420 4.432 9.315
46 HZ3 LYS 4 3HZ LYS 4 252.014 4.257 10.234
47 H ARG 5 H ARG 5 246.120 6.343 6.343
48 HA ARG 5 HA ARG 5 246.508 4.224 4.498
49 HB2 ARG 5 1HB ARG 5 244.169 3.764 4.765
50 HB3 ARG 5 2HB ARG 5 244.842 4.183 6.330
51 HG2 ARG 5 1HG ARG 5 243.923 6.452 6.089
52 HG3 ARG 5 2HG ARG 5 243.196 5.967 4.555
53 HD2 ARG 5 1HD ARG 5 241.575 5.844 6.378
54 HD3 ARG 5 2HD ARG 5 241.902 4.249 5.699
55 HE ARG 5 HE ARG 5 243.646 4.470 7.787
56 HH11 ARG 5 1HH1 ARG 5 240.174 4.703 7.438
57 HH12 ARG 5 2HH1 ARG 5 239.850 4.150 9.049
58 HH21 ARG 5 1HH2 ARG 5 243.229 3.735 9.898
59 HH22 ARG 5 2HH2 ARG 5 241.589 3.610 10.453
60 H THR 6 H THR 6 246.214 7.473 3.936
61 HA THR 6 HA THR 6 244.655 7.376 1.535
62 HB THR 6 HB THR 6 246.604 9.504 2.449
63 HG1 THR 6 HG1 THR 6 243.846 9.058 2.988
64 HG21 THR 6 1HG2 THR 6 245.304 10.995 1.005
65 HG22 THR 6 2HG2 THR 6 244.297 9.638 0.502
66 HG23 THR 6 3HG2 THR 6 246.008 9.671 0.076
67 H TYR 7 H TYR 7 247.955 6.832 2.401
68 HA TYR 7 HA TYR 7 248.719 6.824 -0.437
69 HB2 TYR 7 1HB TYR 7 250.422 7.325 2.007
70 HB3 TYR 7 2HB TYR 7 251.055 7.160 0.372
71 HD1 TYR 7 HD1 TYR 7 249.650 9.398 2.781
72 HD2 TYR 7 HD2 TYR 7 250.236 8.810 -1.391
73 HE1 TYR 7 HE1 TYR 7 249.283 11.797 2.399
74 HE2 TYR 7 HE2 TYR 7 249.878 11.205 -1.785
75 HH TYR 7 HH TYR 7 248.852 13.118 -0.742
76 H CYS 8 H CYS 8 249.662 5.099 -1.292
77 HA CYS 8 HA CYS 8 249.109 2.572 -0.252
78 HB2 CYS 8 1HB CYS 8 249.298 2.871 -2.598
79 HB3 CYS 8 2HB CYS 8 250.925 3.515 -2.460
80 H THR 9 H THR 9 250.095 1.286 1.102
81 HA THR 9 HA THR 9 252.363 2.097 2.584
82 HB THR 9 HB THR 9 251.031 -0.615 2.434
83 HG1 THR 9 HG1 THR 9 250.317 1.789 3.584
84 HG21 THR 9 1HG2 THR 9 251.939 -0.941 4.698
85 HG22 THR 9 2HG2 THR 9 252.801 0.593 4.561
86 HG23 THR 9 3HG2 THR 9 253.215 -0.750 3.497
87 H TYR 10 H TYR 10 251.932 0.053 -0.212
88 HA TYR 10 HA TYR 10 254.587 -1.078 -0.031
89 HB2 TYR 10 1HB TYR 10 252.273 -1.412 -1.893
90 HB3 TYR 10 2HB TYR 10 253.874 -1.937 -2.404
91 HD1 TYR 10 HD1 TYR 10 251.880 -2.151 0.754
92 HD2 TYR 10 HD2 TYR 10 254.205 -4.185 -2.163
93 HE1 TYR 10 HE1 TYR 10 251.620 -4.238 2.018
94 HE2 TYR 10 HE2 TYR 10 253.950 -6.284 -0.911
95 HH TYR 10 HH TYR 10 253.509 -6.954 1.465
96 H CYS 11 H CYS 11 253.318 1.790 -1.082
97 HA CYS 11 HA CYS 11 255.448 2.219 -3.043
98 HB2 CYS 11 1HB CYS 11 252.881 3.614 -2.419
99 HB3 CYS 11 2HB CYS 11 254.186 4.529 -3.160
100 HA PRO 12 HA PRO 12 257.976 4.252 0.028
101 HB2 PRO 12 1HB PRO 12 258.907 5.790 -2.335
102 HB3 PRO 12 2HB PRO 12 259.844 4.877 -1.153
103 HG2 PRO 12 1HG PRO 12 259.441 3.952 -3.636
104 HG3 PRO 12 2HG PRO 12 259.512 2.868 -2.234
105 HD2 PRO 12 1HD PRO 12 257.156 3.790 -3.804
106 HD3 PRO 12 2HD PRO 12 257.442 2.237 -2.997
107 H SER 13 H SER 13 257.871 6.173 1.121
108 HA SER 13 HA SER 13 255.430 7.524 0.926
109 HB2 SER 13 1HB SER 13 256.674 7.219 3.032
110 HB3 SER 13 2HB SER 13 257.907 8.340 2.461
111 HG SER 13 HG SER 13 255.177 9.059 2.666
112 H LYS 14 H LYS 14 258.487 8.225 -0.542
113 HA LYS 14 HA LYS 14 257.870 10.996 -1.032
114 HB2 LYS 14 1HB LYS 14 260.078 9.251 -2.116
115 HB3 LYS 14 2HB LYS 14 259.956 10.990 -2.348
116 HG2 LYS 14 1HG LYS 14 260.161 11.355 0.034
117 HG3 LYS 14 2HG LYS 14 260.200 9.615 0.316
118 HD2 LYS 14 1HD LYS 14 262.247 9.499 -1.091
119 HD3 LYS 14 2HD LYS 14 262.232 11.261 -1.179
120 HE2 LYS 14 1HE LYS 14 262.500 9.571 1.303
121 HE3 LYS 14 2HE LYS 14 263.758 10.549 0.549
122 HZ1 LYS 14 1HZ LYS 14 262.417 12.525 1.027
123 HZ2 LYS 14 2HZ LYS 14 262.833 11.691 2.437
124 HZ3 LYS 14 3HZ LYS 14 261.270 11.562 1.812
125 H ILE 15 H ILE 15 256.928 8.104 -2.451
126 HA ILE 15 HA ILE 15 256.760 9.100 -5.157
127 HB ILE 15 HB ILE 15 255.478 6.647 -3.940
128 HG12 ILE 15 1HG1 ILE 15 257.898 6.521 -3.791
129 HG13 ILE 15 2HG1 ILE 15 257.326 5.415 -5.033
130 HG21 ILE 15 1HG2 ILE 15 255.919 7.338 -6.839
131 HG22 ILE 15 2HG2 ILE 15 254.372 7.401 -5.997
132 HG23 ILE 15 3HG2 ILE 15 255.196 5.856 -6.212
133 HD11 ILE 15 1HD1 ILE 15 259.323 6.533 -5.772
134 HD12 ILE 15 2HD1 ILE 15 258.591 8.108 -5.473
135 HD13 ILE 15 3HD1 ILE 15 257.952 7.067 -6.744
136 H ARG 16 H ARG 16 254.812 8.988 -2.323
137 HA ARG 16 HA ARG 16 252.776 9.783 -1.745
138 HB2 ARG 16 1HB ARG 16 253.395 11.656 -4.029
139 HB3 ARG 16 2HB ARG 16 252.039 11.871 -2.928
140 HG2 ARG 16 1HG ARG 16 253.608 11.994 -1.043
141 HG3 ARG 16 2HG ARG 16 254.954 11.826 -2.171
142 HD2 ARG 16 1HD ARG 16 254.284 13.904 -3.276
143 HD3 ARG 16 2HD ARG 16 252.935 14.068 -2.151
144 HE ARG 16 HE ARG 16 255.345 13.821 -0.713
145 HH11 ARG 16 1HH1 ARG 16 253.626 16.113 -2.719
146 HH12 ARG 16 2HH1 ARG 16 254.356 17.500 -1.980
147 HH21 ARG 16 1HH2 ARG 16 256.299 15.645 0.275
148 HH22 ARG 16 2HH2 ARG 16 255.876 17.234 -0.274
149 H ARG 17 H ARG 17 252.840 7.573 -3.547
150 HA ARG 17 HA ARG 17 250.705 7.888 -5.444
151 HB2 ARG 17 1HB ARG 17 252.468 6.319 -5.957
152 HB3 ARG 17 2HB ARG 17 252.230 5.479 -4.435
153 HG2 ARG 17 1HG ARG 17 251.333 4.174 -6.245
154 HG3 ARG 17 2HG ARG 17 250.024 4.730 -5.203
155 HD2 ARG 17 1HD ARG 17 249.391 6.408 -6.781
156 HD3 ARG 17 2HD ARG 17 250.822 6.106 -7.763
157 HE ARG 17 HE ARG 17 249.785 3.789 -8.060
158 HH11 ARG 17 1HH1 ARG 17 247.906 6.705 -7.638
159 HH12 ARG 17 2HH1 ARG 17 246.555 6.119 -8.551
160 HH21 ARG 17 1HH2 ARG 17 248.036 3.014 -9.274
161 HH22 ARG 17 2HH2 ARG 17 246.628 4.023 -9.501
162 H LYS 18 H LYS 18 248.638 7.861 -4.939
163 HA LYS 18 HA LYS 18 247.798 7.320 -2.265
164 HB2 LYS 18 1HB LYS 18 246.224 7.974 -4.761
165 HB3 LYS 18 2HB LYS 18 245.500 7.780 -3.174
166 HG2 LYS 18 1HG LYS 18 245.729 10.094 -3.474
167 HG3 LYS 18 2HG LYS 18 247.053 9.638 -2.400
168 HD2 LYS 18 1HD LYS 18 248.602 9.645 -4.265
169 HD3 LYS 18 2HD LYS 18 247.287 10.009 -5.382
170 HE2 LYS 18 1HE LYS 18 246.923 12.142 -4.241
171 HE3 LYS 18 2HE LYS 18 248.246 11.775 -3.136
172 HZ1 LYS 18 1HZ LYS 18 249.744 11.702 -5.056
173 HZ2 LYS 18 2HZ LYS 18 249.005 13.215 -4.894
174 HZ3 LYS 18 3HZ LYS 18 248.464 12.134 -6.076
175 H ALA 19 H ALA 19 246.325 5.740 -1.577
176 HA ALA 19 HA ALA 19 246.696 3.209 -2.965
177 HB1 ALA 19 1HB ALA 19 247.138 3.399 -0.544
178 HB2 ALA 19 2HB ALA 19 245.932 2.176 -0.938
179 HB3 ALA 19 3HB ALA 19 245.425 3.736 -0.288
180 H ASN 20 H ASN 20 245.084 1.969 -3.802
181 HA ASN 20 HA ASN 20 242.485 3.291 -4.123
182 HB2 ASN 20 1HB ASN 20 243.768 1.088 -5.759
183 HB3 ASN 20 2HB ASN 20 242.151 1.720 -6.032
184 HD21 ASN 20 1HD2 ASN 20 242.499 2.487 -8.049
185 HD22 ASN 20 2HD2 ASN 20 243.566 3.802 -8.410
186 H ALA 21 H ALA 21 244.046 0.536 -2.778
187 HA ALA 21 HA ALA 21 241.447 -0.534 -1.946
188 HB1 ALA 21 1HB ALA 21 242.158 -2.809 -2.405
189 HB2 ALA 21 2HB ALA 21 243.702 -2.222 -3.020
190 HB3 ALA 21 3HB ALA 21 242.213 -1.845 -3.881
191 H SER 22 H SER 22 241.656 -2.055 -0.120
192 HA SER 22 HA SER 22 244.024 -1.487 1.520
193 HB2 SER 22 1HB SER 22 241.179 -1.646 2.541
194 HB3 SER 22 2HB SER 22 242.619 -1.248 3.480
195 HG SER 22 HG SER 22 241.733 0.273 1.251
196 H CYS 23 H CYS 23 244.931 -3.206 2.466
197 HA CYS 23 HA CYS 23 244.052 -5.837 1.801
198 HB2 CYS 23 1HB CYS 23 246.431 -5.217 2.045
199 HB3 CYS 23 2HB CYS 23 246.167 -4.905 3.755
200 H LYS 24 H LYS 24 242.341 -6.725 2.745
201 HA LYS 24 HA LYS 24 241.073 -5.802 5.050
202 HB2 LYS 24 1HB LYS 24 239.888 -7.046 3.364
203 HB3 LYS 24 2HB LYS 24 240.911 -8.450 3.609
204 HG2 LYS 24 1HG LYS 24 238.794 -8.869 4.610
205 HG3 LYS 24 2HG LYS 24 239.984 -8.664 5.894
206 HD2 LYS 24 1HD LYS 24 239.218 -6.398 6.284
207 HD3 LYS 24 2HD LYS 24 238.087 -6.524 4.934
208 HE2 LYS 24 1HE LYS 24 236.914 -8.334 6.094
209 HE3 LYS 24 2HE LYS 24 238.042 -8.204 7.439
210 HZ1 LYS 24 1HZ LYS 24 235.944 -7.055 7.857
211 HZ2 LYS 24 2HZ LYS 24 236.221 -6.046 6.534
212 HZ3 LYS 24 3HZ LYS 24 237.251 -5.986 7.871
213 H LYS 25 H LYS 25 243.705 -8.020 4.706
214 HA LYS 25 HA LYS 25 243.254 -9.401 7.168
215 HB2 LYS 25 1HB LYS 25 245.704 -9.307 5.412
216 HB3 LYS 25 2HB LYS 25 245.477 -10.400 6.768
217 HG2 LYS 25 1HG LYS 25 243.803 -10.322 4.264
218 HG3 LYS 25 2HG LYS 25 245.049 -11.508 4.643
219 HD2 LYS 25 1HD LYS 25 242.522 -11.059 6.234
220 HD3 LYS 25 2HD LYS 25 242.777 -12.358 5.071
221 HE2 LYS 25 1HE LYS 25 244.372 -11.920 7.596
222 HE3 LYS 25 2HE LYS 25 243.097 -13.117 7.382
223 HZ1 LYS 25 1HZ LYS 25 244.437 -14.137 5.625
224 HZ2 LYS 25 2HZ LYS 25 245.247 -14.131 7.105
225 HZ3 LYS 25 3HZ LYS 25 245.674 -13.021 5.911
226 H CYS 26 H CYS 26 245.230 -6.606 6.254
227 HA CYS 26 HA CYS 26 246.065 -6.455 9.076
228 HB2 CYS 26 1HB CYS 26 248.262 -5.647 8.401
229 HB3 CYS 26 2HB CYS 26 247.943 -7.227 7.693
230 H LYS 27 H LYS 27 244.383 -4.944 6.682
231 HA LYS 27 HA LYS 27 243.415 -2.923 6.474
232 HB2 LYS 27 1HB LYS 27 244.554 -2.522 9.232
233 HB3 LYS 27 2HB LYS 27 243.571 -1.310 8.423
234 HG2 LYS 27 1HG LYS 27 242.655 -4.127 8.964
235 HG3 LYS 27 2HG LYS 27 242.327 -2.757 10.025
236 HD2 LYS 27 1HD LYS 27 241.188 -1.623 8.141
237 HD3 LYS 27 2HD LYS 27 241.451 -3.061 7.153
238 HE2 LYS 27 1HE LYS 27 240.113 -4.387 8.684
239 HE3 LYS 27 2HE LYS 27 239.900 -2.990 9.738
240 HZ1 LYS 27 1HZ LYS 27 237.964 -3.320 8.356
241 HZ2 LYS 27 2HZ LYS 27 238.900 -3.240 6.953
242 HZ3 LYS 27 3HZ LYS 27 238.726 -1.873 7.929
243 H LYS 28 H LYS 28 246.478 -3.417 5.981
244 HA LYS 28 HA LYS 28 247.357 -0.662 5.738
245 HB2 LYS 28 1HB LYS 28 248.643 -3.239 4.810
246 HB3 LYS 28 2HB LYS 28 249.366 -1.647 4.637
247 HG2 LYS 28 1HG LYS 28 248.663 -2.959 7.255
248 HG3 LYS 28 2HG LYS 28 250.275 -2.891 6.542
249 HD2 LYS 28 1HD LYS 28 250.189 -0.431 6.637
250 HD3 LYS 28 2HD LYS 28 248.601 -0.528 7.397
251 HE2 LYS 28 1HE LYS 28 250.343 -0.171 9.061
252 HE3 LYS 28 2HE LYS 28 249.567 -1.739 9.282
253 HZ1 LYS 28 1HZ LYS 28 252.192 -1.255 7.982
254 HZ2 LYS 28 2HZ LYS 28 251.443 -2.762 8.117
255 HZ3 LYS 28 3HZ LYS 28 251.942 -1.942 9.505
256 H VAL 29 H VAL 29 247.642 0.425 3.780
257 HA VAL 29 HA VAL 29 245.663 -0.452 1.816
258 HB VAL 29 HB VAL 29 245.696 1.915 1.054
259 HG11 VAL 29 1HG1 VAL 29 244.035 1.094 2.649
260 HG12 VAL 29 2HG1 VAL 29 244.452 2.779 2.955
261 HG13 VAL 29 3HG1 VAL 29 245.113 1.507 3.981
262 HG21 VAL 29 1HG2 VAL 29 247.973 2.457 1.819
263 HG22 VAL 29 2HG2 VAL 29 247.418 2.356 3.490
264 HG23 VAL 29 3HG2 VAL 29 246.774 3.602 2.419
265 H ILE 30 H ILE 30 246.018 -0.297 -0.407
266 HA ILE 30 HA ILE 30 248.803 -0.112 -1.290
267 HB ILE 30 HB ILE 30 248.402 -2.232 -2.659
268 HG12 ILE 30 1HG1 ILE 30 246.115 -2.390 -0.695
269 HG13 ILE 30 2HG1 ILE 30 246.062 -2.570 -2.443
270 HG21 ILE 30 1HG2 ILE 30 249.948 -2.126 -0.778
271 HG22 ILE 30 2HG2 ILE 30 249.120 -3.683 -0.822
272 HG23 ILE 30 3HG2 ILE 30 248.624 -2.453 0.342
273 HD11 ILE 30 1HD1 ILE 30 247.135 -4.512 -0.422
274 HD12 ILE 30 2HD1 ILE 30 247.396 -4.679 -2.154
275 HD13 ILE 30 3HD1 ILE 30 245.756 -4.717 -1.503
276 H CYS 31 H CYS 31 249.058 0.338 -3.500
277 HA CYS 31 HA CYS 31 246.832 1.816 -4.612
278 HB2 CYS 31 1HB CYS 31 248.422 2.704 -6.199
279 HB3 CYS 31 2HB CYS 31 249.149 2.746 -4.598
280 H ARG 32 H ARG 32 246.723 1.668 -7.174
281 HA ARG 32 HA ARG 32 245.416 -0.730 -7.687
282 HB2 ARG 32 1HB ARG 32 244.956 1.354 -8.885
283 HB3 ARG 32 2HB ARG 32 246.519 1.246 -9.684
284 HG2 ARG 32 1HG ARG 32 245.857 -0.716 -10.867
285 HG3 ARG 32 2HG ARG 32 244.362 -0.829 -9.939
286 HD2 ARG 32 1HD ARG 32 243.994 0.099 -12.183
287 HD3 ARG 32 2HD ARG 32 243.562 1.236 -10.909
288 HE ARG 32 HE ARG 32 246.247 1.577 -11.873
289 HH11 ARG 32 1HH1 ARG 32 242.892 2.374 -12.428
290 HH12 ARG 32 2HH1 ARG 32 243.248 3.828 -13.304
291 HH21 ARG 32 1HH2 ARG 32 246.729 3.490 -13.012
292 HH22 ARG 32 2HH2 ARG 32 245.435 4.467 -13.629
293 H GLU 33 H GLU 33 248.691 0.274 -8.650
294 HA GLU 33 HA GLU 33 249.117 -2.260 -9.973
295 HB2 GLU 33 1HB GLU 33 251.440 -1.388 -10.331
296 HB3 GLU 33 2HB GLU 33 250.159 -0.405 -11.019
297 HG2 GLU 33 1HG GLU 33 251.142 0.279 -8.308
298 HG3 GLU 33 2HG GLU 33 252.172 0.647 -9.689
299 H HIS 34 H HIS 34 248.893 -1.630 -6.849
300 HA HIS 34 HA HIS 34 250.876 -3.711 -6.196
301 HB2 HIS 34 1HB HIS 34 250.327 -1.150 -4.732
302 HB3 HIS 34 2HB HIS 34 250.892 -2.561 -3.852
303 HD2 HIS 34 HD2 HIS 34 253.019 -3.268 -6.503
304 HE1 HIS 34 HE1 HIS 34 254.878 0.158 -4.845
305 HE2 HIS 34 HE2 HIS 34 255.121 -1.742 -6.514
306 H ASN 35 H ASN 35 247.721 -3.334 -6.575
307 HA ASN 35 HA ASN 35 247.009 -4.411 -3.949
308 HB2 ASN 35 1HB ASN 35 244.856 -3.564 -4.119
309 HB3 ASN 35 2HB ASN 35 245.837 -2.310 -4.857
310 HD21 ASN 35 1HD2 ASN 35 243.399 -4.725 -5.383
311 HD22 ASN 35 2HD2 ASN 35 243.009 -4.268 -7.001
312 H ILE 36 H ILE 36 246.603 -6.413 -3.700
313 HA ILE 36 HA ILE 36 245.418 -7.989 -5.895
314 HB ILE 36 HB ILE 36 246.455 -9.128 -3.298
315 HG12 ILE 36 1HG1 ILE 36 248.125 -8.734 -5.789
316 HG13 ILE 36 2HG1 ILE 36 248.264 -7.750 -4.336
317 HG21 ILE 36 1HG2 ILE 36 246.793 -11.145 -4.654
318 HG22 ILE 36 2HG2 ILE 36 246.183 -10.286 -6.071
319 HG23 ILE 36 3HG2 ILE 36 245.118 -10.594 -4.698
320 HD11 ILE 36 1HD1 ILE 36 249.997 -9.445 -4.420
321 HD12 ILE 36 2HD1 ILE 36 248.773 -10.712 -4.516
322 HD13 ILE 36 3HD1 ILE 36 248.911 -9.726 -3.060
323 H ASP 37 H ASP 37 244.276 -5.961 -3.940
324 HA ASP 37 HA ASP 37 242.737 -5.607 -2.309
325 HB2 ASP 37 1HB ASP 37 241.639 -8.224 -3.359
326 HB3 ASP 37 2HB ASP 37 240.820 -7.240 -2.150
327 H MET 38 H MET 38 245.171 -7.149 -1.980
328 HA MET 38 HA MET 38 245.066 -7.680 0.784
329 HB2 MET 38 1HB MET 38 244.058 -9.813 0.005
330 HB3 MET 38 2HB MET 38 245.435 -10.068 -1.057
331 HG2 MET 38 1HG MET 38 246.914 -10.219 0.869
332 HG3 MET 38 2HG MET 38 245.554 -9.925 1.950
333 HE1 MET 38 1HE MET 38 243.406 -13.153 1.467
334 HE2 MET 38 2HE MET 38 243.234 -11.657 0.552
335 HE3 MET 38 3HE MET 38 243.547 -11.598 2.286
336 H CYS 39 H CYS 39 247.154 -7.450 1.540
337 HA CYS 39 HA CYS 39 249.082 -6.694 -0.479
338 HB2 CYS 39 1HB CYS 39 250.245 -5.586 1.189
339 HB3 CYS 39 2HB CYS 39 248.603 -5.510 1.815
340 H GLN 40 H GLN 40 251.231 -7.509 -0.505
341 HA GLN 40 HA GLN 40 251.225 -10.253 -0.960
342 HB2 GLN 40 1HB GLN 40 252.675 -8.611 -2.099
343 HB3 GLN 40 2HB GLN 40 253.602 -8.420 -0.619
344 HG2 GLN 40 1HG GLN 40 254.250 -10.777 -0.734
345 HG3 GLN 40 2HG GLN 40 253.347 -10.939 -2.239
346 HE21 GLN 40 1HE2 GLN 40 256.171 -9.609 -0.718
347 HE22 GLN 40 2HE2 GLN 40 257.007 -9.193 -2.175
348 H SER 41 H SER 41 251.898 -8.528 1.951
349 HA SER 41 HA SER 41 253.490 -10.609 3.144
350 HB2 SER 41 1HB SER 41 253.763 -8.223 3.759
351 HB3 SER 41 2HB SER 41 252.142 -8.232 4.446
352 HG SER 41 HG SER 41 254.173 -10.021 5.293
353 H CYS 42 H CYS 42 250.136 -10.031 2.734
354 HA CYS 42 HA CYS 42 249.510 -11.985 4.851
355 HB2 CYS 42 1HB CYS 42 247.639 -10.060 3.461
356 HB3 CYS 42 2HB CYS 42 247.203 -11.170 4.752
357 H PHE 43 H PHE 43 249.829 -11.627 1.531
358 HA PHE 43 HA PHE 43 247.718 -13.428 0.755
359 HB2 PHE 43 1HB PHE 43 248.502 -11.519 -0.674
360 HB3 PHE 43 2HB PHE 43 250.017 -12.382 -0.911
361 HD1 PHE 43 HD1 PHE 43 246.367 -12.578 -1.480
362 HD2 PHE 43 HD2 PHE 43 250.214 -14.039 -2.556
363 HE1 PHE 43 HE1 PHE 43 245.375 -13.771 -3.390
364 HE2 PHE 43 HE2 PHE 43 249.232 -15.236 -4.468
365 HZ PHE 43 HZ PHE 43 246.808 -15.102 -4.887