Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
1838 | 1azk RC | 4059 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H THR 1 2H THR 1 244.723 24.788 -2.297
2 2H THR 1 3H THR 1 245.421 23.628 -1.359
3 3H THR 1 1H THR 1 244.615 23.194 -2.748
4 HA THR 1 HA THR 1 243.271 22.626 -0.961
5 HB THR 1 HB THR 1 243.614 25.373 0.309
6 HG1 THR 1 HG1 THR 1 245.162 24.046 1.606
7 1HG2 THR 1 3HG2 THR 1 242.853 22.617 1.424
8 2HG2 THR 1 1HG2 THR 1 243.090 24.087 2.379
9 3HG2 THR 1 2HG2 THR 1 241.767 24.011 1.205
10 H GLN 2 H GLN 2 241.057 22.633 -1.349
11 HA GLN 2 HA GLN 2 239.849 24.606 -3.139
12 1HB GLN 2 1HB GLN 2 239.457 22.275 -3.460
13 2HB GLN 2 2HB GLN 2 238.926 22.033 -1.793
14 1HG GLN 2 1HG GLN 2 237.143 22.080 -3.653
15 2HG GLN 2 2HG GLN 2 236.822 22.960 -2.176
16 1HE2 GLN 2 2HE2 GLN 2 236.602 26.096 -3.748
17 2HE2 GLN 2 1HE2 GLN 2 236.672 25.209 -2.215
18 H SER 3 H SER 3 240.524 26.248 -1.342
19 HA SER 3 HA SER 3 239.263 26.437 1.130
20 1HB SER 3 1HB SER 3 240.337 28.673 -0.620
21 2HB SER 3 2HB SER 3 240.018 28.796 1.116
22 HG SER 3 HG SER 3 241.788 27.642 1.498
23 H HIS 4 H HIS 4 238.181 28.241 -1.813
24 HA HIS 4 HA HIS 4 235.600 28.796 -0.431
25 1HB HIS 4 1HB HIS 4 237.275 30.741 -1.019
26 2HB HIS 4 2HB HIS 4 236.682 30.529 -2.671
27 HD2 HIS 4 HD2 HIS 4 234.637 30.526 0.739
28 HE1 HIS 4 HE1 HIS 4 233.224 33.698 -1.657
29 HE2 HIS 4 HE2 HIS 4 232.977 32.471 0.624
30 H TYR 5 H TYR 5 233.691 28.525 -1.458
31 HA TYR 5 HA TYR 5 232.162 27.527 -2.755
32 1HB TYR 5 2HB TYR 5 233.980 27.905 -5.151
33 2HB TYR 5 1HB TYR 5 232.244 27.652 -5.158
34 HD1 TYR 5 HD2 TYR 5 230.994 29.482 -3.409
35 HD2 TYR 5 HD1 TYR 5 234.562 30.121 -5.767
36 HE1 TYR 5 HE2 TYR 5 230.618 31.947 -3.332
37 HE2 TYR 5 HE1 TYR 5 234.161 32.573 -5.691
38 HH TYR 5 HH TYR 5 232.907 34.215 -4.833
39 H GLY 6 H GLY 6 233.713 25.948 -1.290
40 1HA GLY 6 1HA GLY 6 234.446 23.483 -2.799
41 2HA GLY 6 2HA GLY 6 234.859 23.884 -1.138
42 H GLN 7 H GLN 7 232.730 22.117 -3.115
43 HA GLN 7 HA GLN 7 230.417 21.705 -1.634
44 1HB GLN 7 1HB GLN 7 231.120 20.872 -3.939
45 2HB GLN 7 2HB GLN 7 231.908 19.526 -3.117
46 1HG GLN 7 2HG GLN 7 229.616 18.924 -2.147
47 2HG GLN 7 1HG GLN 7 228.943 20.260 -3.089
48 1HE2 GLN 7 2HE2 GLN 7 228.262 17.462 -5.262
49 2HE2 GLN 7 1HE2 GLN 7 227.582 18.313 -3.874
50 H CYS 8 H CYS 8 230.011 20.962 0.477
51 HA CYS 8 HA CYS 8 231.767 18.808 1.607
52 1HB CYS 8 1HB CYS 8 230.168 20.606 3.409
53 2HB CYS 8 2HB CYS 8 231.623 19.677 3.714
54 H GLY 9 H GLY 9 228.730 19.065 0.264
55 1HA GLY 9 2HA GLY 9 227.828 16.533 1.217
56 2HA GLY 9 1HA GLY 9 227.118 17.764 2.253
57 H GLY 10 H GLY 10 226.638 15.980 -0.553
58 1HA GLY 10 2HA GLY 10 224.010 16.249 -0.779
59 2HA GLY 10 1HA GLY 10 224.471 17.655 -1.715
60 H ILE 11 H ILE 11 223.384 16.627 -3.550
61 HA ILE 11 HA ILE 11 223.618 14.063 -4.508
62 HB ILE 11 HB ILE 11 223.271 16.609 -6.107
63 1HG1 ILE 11 1HG1 ILE 11 221.313 14.472 -5.138
64 2HG1 ILE 11 2HG1 ILE 11 221.527 16.076 -4.431
65 1HG2 ILE 11 3HG2 ILE 11 222.909 13.731 -7.077
66 2HG2 ILE 11 1HG2 ILE 11 222.412 15.179 -7.965
67 3HG2 ILE 11 2HG2 ILE 11 224.108 14.887 -7.682
68 1HD1 ILE 11 2HD1 ILE 11 220.817 17.090 -6.634
69 2HD1 ILE 11 3HD1 ILE 11 220.395 15.452 -7.191
70 3HD1 ILE 11 1HD1 ILE 11 219.565 16.145 -5.802
71 H GLY 12 H GLY 12 225.102 12.755 -5.278
72 1HA GLY 12 2HA GLY 12 226.843 11.961 -6.596
73 2HA GLY 12 1HA GLY 12 227.277 13.597 -7.072
74 H TYR 13 H TYR 13 227.309 13.970 -3.826
75 HA TYR 13 HA TYR 13 230.233 13.686 -3.798
76 1HB TYR 13 1HB TYR 13 228.810 15.772 -3.174
77 2HB TYR 13 2HB TYR 13 228.515 14.953 -1.653
78 HD1 TYR 13 HD2 TYR 13 231.322 15.941 -3.996
79 HD2 TYR 13 HD1 TYR 13 230.080 15.450 0.128
80 HE1 TYR 13 HE2 TYR 13 233.446 16.976 -3.215
81 HE2 TYR 13 HE1 TYR 13 232.226 16.462 0.871
82 HH TYR 13 HH TYR 13 233.952 18.291 -0.607
83 H SER 14 H SER 14 231.347 13.178 -1.778
84 HA SER 14 HA SER 14 230.035 11.285 0.105
85 1HB SER 14 1HB SER 14 231.925 9.764 0.137
86 2HB SER 14 2HB SER 14 231.210 9.824 -1.470
87 HG SER 14 HG SER 14 232.952 10.934 -2.216
88 H GLY 15 H GLY 15 233.455 11.950 0.177
89 1HA GLY 15 2HA GLY 15 233.193 14.406 1.802
90 2HA GLY 15 1HA GLY 15 233.723 13.003 2.717
91 HA PRO 16 HA PRO 16 237.664 13.978 0.231
92 1HB PRO 16 1HB PRO 16 237.704 14.762 -2.360
93 2HB PRO 16 2HB PRO 16 237.247 13.097 -1.918
94 1HG PRO 16 1HG PRO 16 235.358 15.440 -2.371
95 2HG PRO 16 2HG PRO 16 235.333 13.872 -3.228
96 1HD PRO 16 2HD PRO 16 233.754 14.230 -1.067
97 2HD PRO 16 1HD PRO 16 234.663 12.713 -1.277
98 H THR 17 H THR 17 236.464 15.827 1.878
99 HA THR 17 HA THR 17 236.244 18.482 0.701
100 HB THR 17 HB THR 17 235.792 19.224 3.014
101 HG1 THR 17 HG1 THR 17 237.162 17.778 4.092
102 1HG2 THR 17 2HG2 THR 17 233.956 18.306 1.683
103 2HG2 THR 17 3HG2 THR 17 234.305 16.670 2.283
104 3HG2 THR 17 1HG2 THR 17 233.764 17.932 3.406
105 H VAL 18 H VAL 18 238.586 18.221 -0.157
106 HA VAL 18 HA VAL 18 240.747 18.908 1.699
107 HB VAL 18 HB VAL 18 240.822 19.054 -1.331
108 1HG1 VAL 18 3HG2 VAL 18 242.838 20.045 -0.168
109 2HG1 VAL 18 1HG2 VAL 18 243.014 18.542 0.748
110 3HG1 VAL 18 2HG2 VAL 18 243.230 18.548 -1.010
111 1HG2 VAL 18 1HG1 VAL 18 241.361 16.663 0.496
112 2HG2 VAL 18 2HG1 VAL 18 240.054 16.784 -0.694
113 3HG2 VAL 18 3HG1 VAL 18 241.723 16.730 -1.240
114 H CYS 19 H CYS 19 239.063 20.653 2.402
115 HA CYS 19 HA CYS 19 239.362 23.332 1.134
116 1HB CYS 19 1HB CYS 19 237.119 22.538 1.352
117 2HB CYS 19 2HB CYS 19 237.362 22.049 3.028
118 H ALA 20 H ALA 20 239.378 25.188 2.812
119 HA ALA 20 HA ALA 20 241.234 24.625 5.107
120 1HB ALA 20 2HB ALA 20 242.274 26.086 3.396
121 2HB ALA 20 3HB ALA 20 240.901 27.210 3.525
122 3HB ALA 20 1HB ALA 20 241.972 26.953 4.909
123 H SER 21 H SER 21 240.849 25.871 7.027
124 HA SER 21 HA SER 21 238.051 26.689 7.589
125 1HB SER 21 1HB SER 21 239.313 25.588 9.340
126 2HB SER 21 2HB SER 21 240.554 26.859 9.308
127 HG SER 21 HG SER 21 238.818 27.103 10.950
128 H GLY 22 H GLY 22 238.142 28.939 8.914
129 1HA GLY 22 2HA GLY 22 238.241 31.326 8.640
130 2HA GLY 22 1HA GLY 22 239.171 31.152 7.156
131 H THR 23 H THR 23 237.820 29.630 5.540
132 HA THR 23 HA THR 23 234.998 30.512 5.171
133 HB THR 23 HB THR 23 235.053 29.005 3.201
134 HG1 THR 23 HG1 THR 23 236.825 27.849 2.764
135 1HG2 THR 23 3HG2 THR 23 237.371 30.981 3.322
136 2HG2 THR 23 1HG2 THR 23 236.729 30.256 1.839
137 3HG2 THR 23 2HG2 THR 23 235.703 31.326 2.825
138 H THR 24 H THR 24 233.567 28.535 4.673
139 HA THR 24 HA THR 24 233.584 26.852 7.179
140 HB THR 24 HB THR 24 231.281 27.492 7.452
141 HG1 THR 24 HG1 THR 24 231.663 28.922 4.998
142 1HG2 THR 24 2HG2 THR 24 232.955 29.165 8.237
143 2HG2 THR 24 3HG2 THR 24 232.836 29.995 6.675
144 3HG2 THR 24 1HG2 THR 24 231.418 29.888 7.729
145 H CYS 25 H CYS 25 230.686 26.324 5.831
146 HA CYS 25 HA CYS 25 230.829 24.247 3.995
147 1HB CYS 25 1HB CYS 25 231.492 23.224 6.729
148 2HB CYS 25 2HB CYS 25 230.487 22.231 5.685
149 H GLN 26 H GLN 26 228.952 25.894 3.865
150 HA GLN 26 HA GLN 26 226.545 25.059 5.460
151 1HB GLN 26 1HB GLN 26 226.039 27.373 5.848
152 2HB GLN 26 2HB GLN 26 227.666 26.993 6.419
153 1HG GLN 26 2HG GLN 26 228.646 27.966 4.340
154 2HG GLN 26 1HG GLN 26 227.026 28.344 3.762
155 1HE2 GLN 26 2HE2 GLN 26 228.821 30.911 6.288
156 2HE2 GLN 26 1HE2 GLN 26 229.697 29.551 5.576
157 H VAL 27 H VAL 27 224.453 25.681 4.661
158 HA VAL 27 HA VAL 27 223.974 24.493 2.228
159 HB VAL 27 HB VAL 27 221.622 25.144 2.522
160 1HG1 VAL 27 2HG2 VAL 27 222.581 23.167 3.683
161 2HG1 VAL 27 3HG2 VAL 27 222.914 24.173 5.102
162 3HG1 VAL 27 1HG2 VAL 27 221.241 23.923 4.565
163 1HG2 VAL 27 1HG1 VAL 27 222.623 26.786 4.900
164 2HG2 VAL 27 2HG1 VAL 27 221.770 27.396 3.474
165 3HG2 VAL 27 3HG1 VAL 27 220.941 26.327 4.611
166 H LEU 28 H LEU 28 223.884 24.969 0.138
167 HA LEU 28 HA LEU 28 222.193 27.280 -0.540
168 1HB LEU 28 2HB LEU 28 223.414 27.857 -2.586
169 2HB LEU 28 1HB LEU 28 224.219 28.319 -1.107
170 HG LEU 28 HG LEU 28 225.065 25.646 -2.157
171 1HD1 LEU 28 1HD2 LEU 28 225.761 28.214 -3.656
172 2HD1 LEU 28 2HD2 LEU 28 226.518 26.624 -3.909
173 3HD1 LEU 28 3HD2 LEU 28 224.810 26.863 -4.302
174 1HD2 LEU 28 2HD1 LEU 28 226.153 26.763 -0.209
175 2HD2 LEU 28 3HD1 LEU 28 227.275 26.503 -1.554
176 3HD2 LEU 28 1HD1 LEU 28 226.609 28.118 -1.266
177 H ASN 29 H ASN 29 223.339 25.732 -3.365
178 HA ASN 29 HA ASN 29 220.753 24.678 -3.947
179 1HB ASN 29 2HB ASN 29 221.873 23.706 -5.989
180 2HB ASN 29 1HB ASN 29 222.088 25.431 -5.735
181 1HD2 ASN 29 2HD2 ASN 29 225.543 23.637 -4.709
182 2HD2 ASN 29 1HD2 ASN 29 224.139 23.394 -3.662
183 HA PRO 30 HA PRO 30 220.420 20.554 -2.388
184 1HB PRO 30 2HB PRO 30 220.013 19.662 -5.258
185 2HB PRO 30 1HB PRO 30 219.110 19.158 -3.799
186 1HG PRO 30 2HG PRO 30 218.058 21.062 -5.391
187 2HG PRO 30 1HG PRO 30 218.064 21.328 -3.627
188 1HD PRO 30 1HD PRO 30 219.962 22.455 -5.689
189 2HD PRO 30 2HD PRO 30 219.163 23.261 -4.315
190 H TYR 31 H TYR 31 222.933 21.051 -4.732
191 HA TYR 31 HA TYR 31 224.302 18.499 -4.437
192 1HB TYR 31 2HB TYR 31 225.216 21.221 -5.439
193 2HB TYR 31 1HB TYR 31 226.142 19.742 -5.574
194 HD1 TYR 31 HD1 TYR 31 225.397 17.874 -7.052
195 HD2 TYR 31 HD2 TYR 31 223.387 21.697 -6.986
196 HE1 TYR 31 HE1 TYR 31 224.094 17.228 -9.071
197 HE2 TYR 31 HE2 TYR 31 222.090 21.039 -9.014
198 HH TYR 31 HH TYR 31 222.530 17.869 -10.566
199 H ALA 32 H ALA 32 224.210 21.399 -2.468
200 HA ALA 32 HA ALA 32 226.761 20.700 -1.094
201 1HB ALA 32 2HB ALA 32 227.173 21.875 -3.330
202 2HB ALA 32 3HB ALA 32 226.500 23.327 -2.574
203 3HB ALA 32 1HB ALA 32 227.937 22.539 -1.896
204 H SER 33 H SER 33 225.884 20.666 0.923
205 HA SER 33 HA SER 33 225.902 23.396 2.131
206 1HB SER 33 1HB SER 33 225.034 21.397 3.439
207 2HB SER 33 2HB SER 33 226.708 20.835 3.565
208 HG SER 33 HG SER 33 227.134 22.643 4.853
209 H GLN 34 H GLN 34 227.737 24.592 1.819
210 HA GLN 34 HA GLN 34 230.293 23.265 1.032
211 1HB GLN 34 1HB GLN 34 229.629 23.610 -1.043
212 2HB GLN 34 2HB GLN 34 228.330 24.712 -0.618
213 1HG GLN 34 2HG GLN 34 229.908 26.607 -0.601
214 2HG GLN 34 1HG GLN 34 231.252 25.522 -0.968
215 1HE2 GLN 34 2HE2 GLN 34 229.454 26.977 -4.094
216 2HE2 GLN 34 1HE2 GLN 34 229.403 27.752 -2.502
217 H CYS 35 H CYS 35 232.209 24.355 1.089
218 HA CYS 35 HA CYS 35 232.757 26.373 3.005
219 1HB CYS 35 2HB CYS 35 234.474 25.585 0.618
220 2HB CYS 35 1HB CYS 35 234.953 26.465 2.064
221 H LEU 36 H LEU 36 231.034 27.845 2.467
222 HA LEU 36 HA LEU 36 231.829 30.112 0.709
223 1HB LEU 36 1HB LEU 36 229.689 29.868 2.856
224 2HB LEU 36 2HB LEU 36 229.977 31.280 1.835
225 HG LEU 36 HG LEU 36 229.037 28.549 0.836
226 1HD1 LEU 36 3HD2 LEU 36 227.353 29.810 2.173
227 2HD1 LEU 36 1HD2 LEU 36 227.572 31.214 1.127
228 3HD1 LEU 36 2HD2 LEU 36 226.882 29.709 0.480
229 1HD2 LEU 36 1HD1 LEU 36 229.488 31.205 -0.613
230 2HD2 LEU 36 2HD1 LEU 36 230.318 29.666 -0.938
231 3HD2 LEU 36 3HD1 LEU 36 228.599 29.831 -1.302
No H/Q in entry = 231
Start of MODEL 2
1 1H THR 1 1H THR 1 244.940 21.367 0.795
2 2H THR 1 2H THR 1 245.035 22.893 1.402
3 3H THR 1 3H THR 1 245.146 21.619 2.438
4 HA THR 1 HA THR 1 242.844 21.170 2.189
5 HB THR 1 HB THR 1 241.847 23.526 2.633
6 HG1 THR 1 HG1 THR 1 243.280 25.212 2.523
7 1HG2 THR 1 2HG2 THR 1 242.926 22.181 4.509
8 2HG2 THR 1 3HG2 THR 1 244.450 23.034 4.172
9 3HG2 THR 1 1HG2 THR 1 243.020 23.934 4.699
10 H GLN 2 H GLN 2 240.674 22.249 1.239
11 HA GLN 2 HA GLN 2 240.951 22.542 -1.730
12 1HB GLN 2 1HB GLN 2 239.777 20.582 -0.781
13 2HB GLN 2 2HB GLN 2 238.554 21.633 -0.087
14 1HG GLN 2 2HG GLN 2 239.168 21.632 -3.094
15 2HG GLN 2 1HG GLN 2 238.155 20.393 -2.375
16 1HE2 GLN 2 2HE2 GLN 2 236.388 23.833 -3.200
17 2HE2 GLN 2 1HE2 GLN 2 237.858 23.282 -4.003
18 H SER 3 H SER 3 239.577 24.056 -2.857
19 HA SER 3 HA SER 3 239.848 26.644 -1.738
20 1HB SER 3 1HB SER 3 238.531 25.828 -4.358
21 2HB SER 3 2HB SER 3 239.163 27.430 -3.950
22 HG SER 3 HG SER 3 240.779 26.337 -5.071
23 H HIS 4 H HIS 4 238.455 28.356 -1.503
24 HA HIS 4 HA HIS 4 235.914 28.369 -0.492
25 1HB HIS 4 1HB HIS 4 237.526 30.298 -0.811
26 2HB HIS 4 2HB HIS 4 237.039 30.383 -2.501
27 HD2 HIS 4 HD2 HIS 4 234.810 30.187 0.785
28 HE1 HIS 4 HE1 HIS 4 233.897 33.761 -1.245
29 HE2 HIS 4 HE2 HIS 4 233.383 32.317 0.846
30 H TYR 5 H TYR 5 233.810 28.704 -1.310
31 HA TYR 5 HA TYR 5 232.013 28.038 -2.405
32 1HB TYR 5 2HB TYR 5 233.517 28.743 -4.927
33 2HB TYR 5 1HB TYR 5 231.779 28.568 -4.785
34 HD1 TYR 5 HD1 TYR 5 230.892 30.013 -2.462
35 HD2 TYR 5 HD2 TYR 5 233.995 31.032 -5.300
36 HE1 TYR 5 HE1 TYR 5 230.482 32.426 -2.060
37 HE2 TYR 5 HE2 TYR 5 233.546 33.442 -4.905
38 HH TYR 5 HH TYR 5 232.315 34.952 -3.775
39 H GLY 6 H GLY 6 234.342 25.910 -2.186
40 1HA GLY 6 2HA GLY 6 233.734 23.865 -4.088
41 2HA GLY 6 1HA GLY 6 234.484 23.648 -2.505
42 H GLN 7 H GLN 7 232.260 22.150 -4.064
43 HA GLN 7 HA GLN 7 229.910 22.113 -2.402
44 1HB GLN 7 1HB GLN 7 229.943 21.251 -4.689
45 2HB GLN 7 2HB GLN 7 231.164 20.048 -4.263
46 1HG GLN 7 2HG GLN 7 229.534 18.890 -2.765
47 2HG GLN 7 1HG GLN 7 228.327 20.123 -3.175
48 1HE2 GLN 7 2HE2 GLN 7 227.347 17.359 -5.258
49 2HE2 GLN 7 1HE2 GLN 7 227.211 17.914 -3.589
50 H CYS 8 H CYS 8 229.957 21.535 -0.133
51 HA CYS 8 HA CYS 8 231.287 18.906 0.466
52 1HB CYS 8 1HB CYS 8 230.605 20.658 2.761
53 2HB CYS 8 2HB CYS 8 231.961 19.589 2.495
54 H GLY 9 H GLY 9 228.782 18.950 -0.785
55 1HA GLY 9 2HA GLY 9 227.100 17.640 1.318
56 2HA GLY 9 1HA GLY 9 226.357 18.738 0.169
57 H GLY 10 H GLY 10 225.570 16.155 0.559
58 1HA GLY 10 1HA GLY 10 226.961 14.061 -0.532
59 2HA GLY 10 2HA GLY 10 225.242 14.041 -0.174
60 H ILE 11 H ILE 11 224.142 15.588 -2.273
61 HA ILE 11 HA ILE 11 223.834 13.424 -4.054
62 HB ILE 11 HB ILE 11 222.907 16.286 -4.399
63 1HG1 ILE 11 1HG1 ILE 11 221.669 13.730 -3.270
64 2HG1 ILE 11 2HG1 ILE 11 221.943 15.268 -2.442
65 1HG2 ILE 11 2HG2 ILE 11 223.009 15.124 -6.617
66 2HG2 ILE 11 3HG2 ILE 11 222.044 13.795 -5.945
67 3HG2 ILE 11 1HG2 ILE 11 221.365 15.429 -6.106
68 1HD1 ILE 11 2HD1 ILE 11 220.228 16.297 -4.043
69 2HD1 ILE 11 3HD1 ILE 11 219.860 14.645 -4.577
70 3HD1 ILE 11 1HD1 ILE 11 219.599 15.105 -2.893
71 H GLY 12 H GLY 12 224.964 12.661 -5.661
72 1HA GLY 12 1HA GLY 12 226.387 12.450 -7.472
73 2HA GLY 12 2HA GLY 12 226.358 14.200 -7.684
74 H TYR 13 H TYR 13 227.395 12.851 -4.575
75 HA TYR 13 HA TYR 13 230.252 13.441 -5.203
76 1HB TYR 13 1HB TYR 13 228.573 15.390 -4.394
77 2HB TYR 13 2HB TYR 13 228.843 14.670 -2.826
78 HD1 TYR 13 HD2 TYR 13 230.740 15.775 -5.919
79 HD2 TYR 13 HD1 TYR 13 230.601 15.719 -1.593
80 HE1 TYR 13 HE2 TYR 13 232.585 17.447 -5.825
81 HE2 TYR 13 HE1 TYR 13 232.475 17.346 -1.530
82 HH TYR 13 HH TYR 13 233.349 19.028 -2.814
83 H SER 14 H SER 14 231.362 13.576 -2.863
84 HA SER 14 HA SER 14 230.782 11.248 -1.129
85 1HB SER 14 2HB SER 14 232.971 10.254 -1.371
86 2HB SER 14 1HB SER 14 232.209 10.381 -2.962
87 HG SER 14 HG SER 14 234.313 11.148 -3.187
88 H GLY 15 H GLY 15 233.586 13.319 -1.614
89 1HA GLY 15 2HA GLY 15 233.711 15.545 -0.834
90 2HA GLY 15 1HA GLY 15 232.691 15.183 0.542
91 HA PRO 16 HA PRO 16 237.232 14.388 1.977
92 1HB PRO 16 1HB PRO 16 239.318 14.412 0.254
93 2HB PRO 16 2HB PRO 16 238.258 12.989 0.387
94 1HG PRO 16 1HG PRO 16 238.025 15.247 -1.643
95 2HG PRO 16 2HG PRO 16 238.160 13.499 -1.986
96 1HD PRO 16 2HD PRO 16 235.730 14.737 -1.853
97 2HD PRO 16 1HD PRO 16 235.949 13.087 -1.207
98 H THR 17 H THR 17 235.658 16.839 1.451
99 HA THR 17 HA THR 17 237.510 18.924 0.509
100 HB THR 17 HB THR 17 235.547 20.429 0.755
101 HG1 THR 17 HG1 THR 17 234.423 19.358 2.367
102 1HG2 THR 17 2HG2 THR 17 236.049 19.175 -1.354
103 2HG2 THR 17 3HG2 THR 17 234.944 17.887 -0.814
104 3HG2 THR 17 1HG2 THR 17 234.345 19.537 -1.090
105 H VAL 18 H VAL 18 238.880 18.231 2.426
106 HA VAL 18 HA VAL 18 238.543 19.777 4.887
107 HB VAL 18 HB VAL 18 241.113 18.878 3.522
108 1HG1 VAL 18 3HG2 VAL 18 241.402 20.606 5.347
109 2HG1 VAL 18 1HG2 VAL 18 240.532 19.533 6.455
110 3HG1 VAL 18 2HG2 VAL 18 242.089 19.032 5.769
111 1HG2 VAL 18 1HG1 VAL 18 239.430 17.439 5.628
112 2HG2 VAL 18 2HG1 VAL 18 239.667 16.904 3.953
113 3HG2 VAL 18 3HG1 VAL 18 241.036 16.937 5.064
114 H CYS 19 H CYS 19 237.581 21.680 3.875
115 HA CYS 19 HA CYS 19 238.945 23.181 1.921
116 1HB CYS 19 1HB CYS 19 236.324 23.171 3.078
117 2HB CYS 19 2HB CYS 19 236.887 24.833 3.101
118 H ALA 20 H ALA 20 239.079 25.681 2.025
119 HA ALA 20 HA ALA 20 241.396 26.350 3.571
120 1HB ALA 20 2HB ALA 20 240.951 27.261 1.351
121 2HB ALA 20 3HB ALA 20 239.534 28.137 1.967
122 3HB ALA 20 1HB ALA 20 241.156 28.558 2.542
123 H SER 21 H SER 21 240.442 25.705 5.666
124 HA SER 21 HA SER 21 238.588 26.682 7.237
125 1HB SER 21 1HB SER 21 240.350 25.100 7.949
126 2HB SER 21 2HB SER 21 241.451 26.466 8.220
127 HG SER 21 HG SER 21 238.897 26.199 9.489
128 H GLY 22 H GLY 22 237.728 28.571 7.475
129 1HA GLY 22 1HA GLY 22 238.202 31.029 8.475
130 2HA GLY 22 2HA GLY 22 239.212 31.081 7.017
131 H THR 23 H THR 23 238.037 29.886 5.122
132 HA THR 23 HA THR 23 235.120 30.368 4.859
133 HB THR 23 HB THR 23 235.219 29.157 2.804
134 HG1 THR 23 HG1 THR 23 237.841 28.456 3.604
135 1HG2 THR 23 3HG2 THR 23 237.749 30.887 2.996
136 2HG2 THR 23 1HG2 THR 23 237.028 30.297 1.504
137 3HG2 THR 23 2HG2 THR 23 236.115 31.411 2.544
138 H THR 24 H THR 24 233.777 28.378 4.573
139 HA THR 24 HA THR 24 234.344 26.337 6.705
140 HB THR 24 HB THR 24 232.007 26.526 7.329
141 HG1 THR 24 HG1 THR 24 231.925 28.566 5.335
142 1HG2 THR 24 2HG2 THR 24 233.658 28.114 8.359
143 2HG2 THR 24 3HG2 THR 24 233.210 29.323 7.138
144 3HG2 THR 24 1HG2 THR 24 231.994 28.738 8.287
145 H CYS 25 H CYS 25 231.354 26.030 5.261
146 HA CYS 25 HA CYS 25 231.223 24.148 3.305
147 1HB CYS 25 1HB CYS 25 232.297 22.817 5.791
148 2HB CYS 25 2HB CYS 25 231.195 21.945 4.742
149 H GLN 26 H GLN 26 229.267 25.714 3.724
150 HA GLN 26 HA GLN 26 227.117 24.387 5.334
151 1HB GLN 26 1HB GLN 26 226.501 26.387 6.426
152 2HB GLN 26 2HB GLN 26 228.189 25.982 6.743
153 1HG GLN 26 2HG GLN 26 228.863 27.696 4.989
154 2HG GLN 26 1HG GLN 26 227.154 28.130 4.851
155 1HE2 GLN 26 2HE2 GLN 26 229.279 29.630 7.923
156 2HE2 GLN 26 1HE2 GLN 26 230.062 28.642 6.681
157 H VAL 27 H VAL 27 224.907 25.395 5.049
158 HA VAL 27 HA VAL 27 224.242 24.468 2.498
159 HB VAL 27 HB VAL 27 221.920 24.708 3.172
160 1HG1 VAL 27 1HG2 VAL 27 223.298 22.798 3.992
161 2HG1 VAL 27 2HG2 VAL 27 223.599 23.701 5.498
162 3HG1 VAL 27 3HG2 VAL 27 221.954 23.226 5.056
163 1HG2 VAL 27 1HG1 VAL 27 222.974 26.222 5.610
164 2HG2 VAL 27 2HG1 VAL 27 221.929 26.875 4.340
165 3HG2 VAL 27 3HG1 VAL 27 221.318 25.620 5.410
166 H LEU 28 H LEU 28 223.677 25.221 0.597
167 HA LEU 28 HA LEU 28 221.907 27.589 0.514
168 1HB LEU 28 1HB LEU 28 222.857 28.094 -1.882
169 2HB LEU 28 2HB LEU 28 223.470 28.879 -0.458
170 HG LEU 28 HG LEU 28 224.882 26.341 -1.301
171 1HD1 LEU 28 2HD2 LEU 28 225.203 28.973 -2.805
172 2HD1 LEU 28 3HD2 LEU 28 226.238 27.539 -2.955
173 3HD1 LEU 28 1HD2 LEU 28 224.552 27.458 -3.473
174 1HD2 LEU 28 2HD1 LEU 28 225.719 29.110 -0.277
175 2HD2 LEU 28 3HD1 LEU 28 225.672 27.617 0.682
176 3HD2 LEU 28 1HD1 LEU 28 226.833 27.804 -0.633
177 H ASN 29 H ASN 29 223.017 24.735 -1.340
178 HA ASN 29 HA ASN 29 220.240 24.435 -2.432
179 1HB ASN 29 1HB ASN 29 221.166 23.935 -4.660
180 2HB ASN 29 2HB ASN 29 221.602 25.543 -4.117
181 1HD2 ASN 29 2HD2 ASN 29 224.922 24.691 -5.038
182 2HD2 ASN 29 1HD2 ASN 29 223.622 25.873 -5.162
183 HA PRO 30 HA PRO 30 220.624 20.152 -1.272
184 1HB PRO 30 1HB PRO 30 218.940 18.824 -2.970
185 2HB PRO 30 2HB PRO 30 218.373 20.022 -1.786
186 1HG PRO 30 2HG PRO 30 219.009 20.500 -4.715
187 2HG PRO 30 1HG PRO 30 217.496 20.896 -3.851
188 1HD PRO 30 1HD PRO 30 219.408 22.758 -4.218
189 2HD PRO 30 2HD PRO 30 218.542 22.680 -2.663
190 H TYR 31 H TYR 31 222.899 20.880 -2.481
191 HA TYR 31 HA TYR 31 223.944 18.348 -3.502
192 1HB TYR 31 2HB TYR 31 224.454 20.876 -5.136
193 2HB TYR 31 1HB TYR 31 225.093 19.273 -5.425
194 HD1 TYR 31 HD1 TYR 31 222.119 21.452 -5.672
195 HD2 TYR 31 HD2 TYR 31 223.739 17.544 -6.538
196 HE1 TYR 31 HE1 TYR 31 220.246 21.025 -7.254
197 HE2 TYR 31 HE2 TYR 31 221.858 17.133 -8.133
198 HH TYR 31 HH TYR 31 219.385 19.607 -8.779
199 H ALA 32 H ALA 32 224.656 21.783 -2.962
200 HA ALA 32 HA ALA 32 227.248 21.186 -1.598
201 1HB ALA 32 2HB ALA 32 227.305 22.461 -3.732
202 2HB ALA 32 3HB ALA 32 226.341 23.739 -2.973
203 3HB ALA 32 1HB ALA 32 227.955 23.354 -2.353
204 H SER 33 H SER 33 226.660 20.870 0.477
205 HA SER 33 HA SER 33 226.098 23.315 2.074
206 1HB SER 33 1HB SER 33 225.746 21.049 3.078
207 2HB SER 33 2HB SER 33 227.483 20.747 2.975
208 HG SER 33 HG SER 33 227.799 22.344 4.514
209 H GLN 34 H GLN 34 227.428 24.852 1.120
210 HA GLN 34 HA GLN 34 229.846 24.007 -0.263
211 1HB GLN 34 2HB GLN 34 227.936 25.446 -1.213
212 2HB GLN 34 1HB GLN 34 228.552 26.725 -0.151
213 1HG GLN 34 1HG GLN 34 230.720 26.671 -1.341
214 2HG GLN 34 2HG GLN 34 230.114 25.379 -2.390
215 1HE2 GLN 34 2HE2 GLN 34 229.188 27.967 -4.629
216 2HE2 GLN 34 1HE2 GLN 34 230.175 26.514 -4.392
217 H CYS 35 H CYS 35 231.958 24.915 -0.032
218 HA CYS 35 HA CYS 35 232.805 26.080 2.463
219 1HB CYS 35 2HB CYS 35 234.313 26.250 -0.153
220 2HB CYS 35 1HB CYS 35 234.935 26.341 1.495
221 H LEU 36 H LEU 36 231.076 27.792 2.567
222 HA LEU 36 HA LEU 36 231.705 30.362 1.244
223 1HB LEU 36 2HB LEU 36 229.926 29.624 3.602
224 2HB LEU 36 1HB LEU 36 230.067 31.248 2.931
225 HG LEU 36 HG LEU 36 229.024 28.795 1.431
226 1HD1 LEU 36 3HD2 LEU 36 227.486 29.551 3.196
227 2HD1 LEU 36 1HD2 LEU 36 227.551 31.212 2.580
228 3HD1 LEU 36 2HD2 LEU 36 226.821 29.923 1.605
229 1HD2 LEU 36 1HD1 LEU 36 229.150 31.737 0.601
230 2HD2 LEU 36 2HD1 LEU 36 230.032 30.393 -0.158
231 3HD2 LEU 36 3HD1 LEU 36 228.278 30.464 -0.280
No H/Q in entry = 231
Start of MODEL 3
1 1H THR 1 1H THR 1 244.018 24.670 -2.674
2 2H THR 1 2H THR 1 244.589 23.190 -2.215
3 3H THR 1 3H THR 1 243.364 23.315 -3.341
4 HA THR 1 HA THR 1 242.375 22.633 -1.368
5 HB THR 1 HB THR 1 243.766 24.902 0.130
6 HG1 THR 1 HG1 THR 1 245.129 23.126 0.841
7 1HG2 THR 1 3HG2 THR 1 242.491 22.296 1.125
8 2HG2 THR 1 1HG2 THR 1 243.276 23.530 2.114
9 3HG2 THR 1 2HG2 THR 1 241.766 23.905 1.281
10 H GLN 2 H GLN 2 240.236 23.347 -0.829
11 HA GLN 2 HA GLN 2 239.387 25.783 -2.226
12 1HB GLN 2 2HB GLN 2 237.707 23.777 -0.681
13 2HB GLN 2 1HB GLN 2 237.193 25.043 -1.788
14 1HG GLN 2 2HG GLN 2 238.684 22.473 -2.436
15 2HG GLN 2 1HG GLN 2 237.134 23.005 -3.065
16 1HE2 GLN 2 2HE2 GLN 2 238.664 25.234 -5.476
17 2HE2 GLN 2 1HE2 GLN 2 237.229 25.104 -4.456
18 H SER 3 H SER 3 240.196 27.520 -1.161
19 HA SER 3 HA SER 3 239.194 28.284 1.539
20 1HB SER 3 1HB SER 3 241.214 29.353 0.856
21 2HB SER 3 2HB SER 3 240.538 29.842 -0.710
22 HG SER 3 HG SER 3 240.526 31.468 1.133
23 H HIS 4 H HIS 4 238.337 30.755 -0.553
24 HA HIS 4 HA HIS 4 235.569 30.315 -0.350
25 1HB HIS 4 1HB HIS 4 236.881 32.466 -0.892
26 2HB HIS 4 2HB HIS 4 236.784 31.967 -2.579
27 HD2 HIS 4 HD2 HIS 4 233.947 31.859 0.220
28 HE1 HIS 4 HE1 HIS 4 232.767 34.536 -2.835
29 HE2 HIS 4 HE2 HIS 4 232.049 33.433 -0.643
30 H TYR 5 H TYR 5 234.462 28.706 -1.072
31 HA TYR 5 HA TYR 5 233.182 27.550 -2.438
32 1HB TYR 5 2HB TYR 5 234.904 28.136 -4.827
33 2HB TYR 5 1HB TYR 5 233.328 27.378 -4.827
34 HD1 TYR 5 HD2 TYR 5 231.502 28.902 -3.263
35 HD2 TYR 5 HD1 TYR 5 234.830 30.363 -5.615
36 HE1 TYR 5 HE2 TYR 5 230.357 31.081 -3.548
37 HE2 TYR 5 HE1 TYR 5 233.692 32.560 -5.828
38 HH TYR 5 HH TYR 5 231.939 33.807 -5.186
39 H GLY 6 H GLY 6 233.408 25.668 -1.438
40 1HA GLY 6 1HA GLY 6 234.926 23.488 -2.752
41 2HA GLY 6 2HA GLY 6 235.267 23.769 -1.037
42 H GLN 7 H GLN 7 233.709 21.658 -2.848
43 HA GLN 7 HA GLN 7 231.007 21.648 -1.875
44 1HB GLN 7 1HB GLN 7 231.963 20.774 -4.074
45 2HB GLN 7 2HB GLN 7 232.537 19.365 -3.183
46 1HG GLN 7 2HG GLN 7 230.148 18.892 -2.515
47 2HG GLN 7 1HG GLN 7 229.652 20.363 -3.374
48 1HE2 GLN 7 2HE2 GLN 7 228.895 17.677 -5.699
49 2HE2 GLN 7 1HE2 GLN 7 228.243 18.336 -4.190
50 H CYS 8 H CYS 8 230.076 20.685 -0.066
51 HA CYS 8 HA CYS 8 231.651 18.717 1.549
52 1HB CYS 8 1HB CYS 8 230.187 21.044 2.802
53 2HB CYS 8 2HB CYS 8 231.347 19.933 3.531
54 H GLY 9 H GLY 9 229.002 18.411 -0.055
55 1HA GLY 9 2HA GLY 9 227.875 16.296 0.979
56 2HA GLY 9 1HA GLY 9 227.251 17.404 2.189
57 H GLY 10 H GLY 10 226.148 15.729 -0.224
58 1HA GLY 10 2HA GLY 10 223.662 16.778 -0.673
59 2HA GLY 10 1HA GLY 10 224.672 17.662 -1.832
60 H ILE 11 H ILE 11 223.354 16.570 -3.516
61 HA ILE 11 HA ILE 11 223.071 13.864 -4.061
62 HB ILE 11 HB ILE 11 223.558 16.166 -5.971
63 1HG1 ILE 11 1HG1 ILE 11 221.063 14.616 -5.115
64 2HG1 ILE 11 2HG1 ILE 11 221.500 16.250 -4.614
65 1HG2 ILE 11 3HG2 ILE 11 222.750 13.305 -6.676
66 2HG2 ILE 11 1HG2 ILE 11 222.694 14.686 -7.787
67 3HG2 ILE 11 2HG2 ILE 11 224.235 14.132 -7.186
68 1HD1 ILE 11 1HD1 ILE 11 221.320 16.974 -7.042
69 2HD1 ILE 11 2HD1 ILE 11 220.633 15.370 -7.396
70 3HD1 ILE 11 3HD1 ILE 11 219.808 16.450 -6.280
71 H GLY 12 H GLY 12 224.573 12.340 -3.718
72 1HA GLY 12 2HA GLY 12 226.267 10.904 -4.350
73 2HA GLY 12 1HA GLY 12 226.873 12.079 -5.506
74 H TYR 13 H TYR 13 227.270 14.185 -3.385
75 HA TYR 13 HA TYR 13 230.008 13.503 -2.999
76 1HB TYR 13 1HB TYR 13 228.896 15.766 -3.532
77 2HB TYR 13 2HB TYR 13 228.772 15.984 -1.800
78 HD1 TYR 13 HD2 TYR 13 231.033 15.546 -4.714
79 HD2 TYR 13 HD1 TYR 13 230.899 16.468 -0.485
80 HE1 TYR 13 HE2 TYR 13 233.384 16.358 -4.798
81 HE2 TYR 13 HE1 TYR 13 233.303 17.118 -0.573
82 HH TYR 13 HH TYR 13 235.199 17.339 -1.903
83 H SER 14 H SER 14 229.133 11.546 -1.534
84 HA SER 14 HA SER 14 229.964 11.959 1.294
85 1HB SER 14 1HB SER 14 229.764 9.470 -0.458
86 2HB SER 14 2HB SER 14 230.204 9.472 1.260
87 HG SER 14 HG SER 14 227.976 9.069 0.970
88 H GLY 15 H GLY 15 231.668 13.446 0.242
89 1HA GLY 15 1HA GLY 15 233.867 11.979 -1.218
90 2HA GLY 15 2HA GLY 15 233.082 13.481 -1.709
91 HA PRO 16 HA PRO 16 237.221 14.118 0.362
92 1HB PRO 16 1HB PRO 16 238.705 15.069 -1.701
93 2HB PRO 16 2HB PRO 16 238.271 13.351 -1.557
94 1HG PRO 16 2HG PRO 16 236.811 15.462 -3.188
95 2HG PRO 16 1HG PRO 16 237.447 13.900 -3.765
96 1HD PRO 16 2HD PRO 16 234.859 14.157 -3.003
97 2HD PRO 16 1HD PRO 16 235.776 12.681 -2.586
98 H THR 17 H THR 17 236.098 15.717 1.689
99 HA THR 17 HA THR 17 235.683 18.445 0.814
100 HB THR 17 HB THR 17 235.250 18.925 3.163
101 HG1 THR 17 HG1 THR 17 236.838 17.631 4.109
102 1HG2 THR 17 2HG2 THR 17 233.561 17.679 1.732
103 2HG2 THR 17 3HG2 THR 17 234.056 16.192 2.558
104 3HG2 THR 17 1HG2 THR 17 233.359 17.528 3.490
105 H VAL 18 H VAL 18 238.024 18.382 -0.176
106 HA VAL 18 HA VAL 18 240.242 19.070 1.599
107 HB VAL 18 HB VAL 18 240.096 19.401 -1.420
108 1HG1 VAL 18 1HG2 VAL 18 242.482 18.983 0.453
109 2HG1 VAL 18 2HG2 VAL 18 242.551 19.053 -1.318
110 3HG1 VAL 18 3HG2 VAL 18 242.117 20.485 -0.405
111 1HG2 VAL 18 1HG1 VAL 18 240.930 16.960 0.219
112 2HG2 VAL 18 2HG1 VAL 18 239.539 17.067 -0.877
113 3HG2 VAL 18 3HG1 VAL 18 241.167 17.152 -1.532
114 H CYS 19 H CYS 19 238.584 20.734 2.573
115 HA CYS 19 HA CYS 19 238.762 23.415 1.302
116 1HB CYS 19 1HB CYS 19 236.522 22.712 1.694
117 2HB CYS 19 2HB CYS 19 236.872 22.265 3.369
118 H ALA 20 H ALA 20 239.222 25.303 2.506
119 HA ALA 20 HA ALA 20 241.286 24.966 4.635
120 1HB ALA 20 2HB ALA 20 241.917 26.200 2.594
121 2HB ALA 20 3HB ALA 20 240.629 27.377 2.922
122 3HB ALA 20 1HB ALA 20 241.971 27.205 4.058
123 H SER 21 H SER 21 239.912 24.573 6.390
124 HA SER 21 HA SER 21 237.736 25.910 7.403
125 1HB SER 21 1HB SER 21 238.862 23.987 8.481
126 2HB SER 21 2HB SER 21 240.160 25.064 9.030
127 HG SER 21 HG SER 21 237.389 25.369 9.685
128 H GLY 22 H GLY 22 237.277 27.941 7.726
129 1HA GLY 22 2HA GLY 22 238.321 30.286 8.640
130 2HA GLY 22 1HA GLY 22 239.363 29.955 7.243
131 H THR 23 H THR 23 237.845 28.909 5.365
132 HA THR 23 HA THR 23 235.136 30.165 5.210
133 HB THR 23 HB THR 23 234.874 28.994 3.101
134 HG1 THR 23 HG1 THR 23 236.680 27.997 2.161
135 1HG2 THR 23 2HG2 THR 23 235.990 31.310 3.304
136 2HG2 THR 23 3HG2 THR 23 237.523 30.477 2.965
137 3HG2 THR 23 1HG2 THR 23 236.183 30.437 1.790
138 H THR 24 H THR 24 233.391 28.577 4.819
139 HA THR 24 HA THR 24 233.430 26.946 7.251
140 HB THR 24 HB THR 24 231.020 27.204 7.241
141 HG1 THR 24 HG1 THR 24 231.342 28.821 4.930
142 1HG2 THR 24 2HG2 THR 24 232.442 28.982 8.216
143 2HG2 THR 24 3HG2 THR 24 232.487 29.818 6.653
144 3HG2 THR 24 1HG2 THR 24 230.947 29.641 7.517
145 H CYS 25 H CYS 25 231.208 26.334 4.698
146 HA CYS 25 HA CYS 25 230.950 24.114 3.490
147 1HB CYS 25 1HB CYS 25 231.541 22.997 6.249
148 2HB CYS 25 2HB CYS 25 230.681 22.116 5.014
149 H GLN 26 H GLN 26 229.247 25.998 3.673
150 HA GLN 26 HA GLN 26 226.855 25.132 5.260
151 1HB GLN 26 1HB GLN 26 228.044 27.136 6.030
152 2HB GLN 26 2HB GLN 26 227.714 27.930 4.486
153 1HG GLN 26 1HG GLN 26 225.282 27.916 4.990
154 2HG GLN 26 2HG GLN 26 225.563 26.889 6.407
155 1HE2 GLN 26 2HE2 GLN 26 227.222 30.449 7.239
156 2HE2 GLN 26 1HE2 GLN 26 227.959 29.391 6.031
157 H VAL 27 H VAL 27 224.770 25.490 4.401
158 HA VAL 27 HA VAL 27 224.374 24.407 1.875
159 HB VAL 27 HB VAL 27 221.993 24.890 2.183
160 1HG1 VAL 27 3HG2 VAL 27 223.095 22.875 3.076
161 2HG1 VAL 27 1HG2 VAL 27 223.384 23.717 4.618
162 3HG1 VAL 27 2HG2 VAL 27 221.731 23.395 4.071
163 1HG2 VAL 27 2HG1 VAL 27 222.045 27.051 3.381
164 2HG2 VAL 27 3HG1 VAL 27 221.170 25.835 4.298
165 3HG2 VAL 27 1HG1 VAL 27 222.814 26.277 4.778
166 H LEU 28 H LEU 28 224.548 25.087 -0.145
167 HA LEU 28 HA LEU 28 223.067 27.612 -0.797
168 1HB LEU 28 1HB LEU 28 224.599 26.953 -3.095
169 2HB LEU 28 2HB LEU 28 224.541 28.432 -2.194
170 HG LEU 28 HG LEU 28 226.405 26.129 -1.507
171 1HD1 LEU 28 1HD2 LEU 28 226.916 28.594 -3.242
172 2HD1 LEU 28 2HD2 LEU 28 228.142 27.426 -2.728
173 3HD1 LEU 28 3HD2 LEU 28 226.846 26.916 -3.818
174 1HD2 LEU 28 2HD1 LEU 28 226.370 29.109 -0.784
175 2HD2 LEU 28 3HD1 LEU 28 226.152 27.763 0.345
176 3HD2 LEU 28 1HD1 LEU 28 227.713 28.019 -0.424
177 H ASN 29 H ASN 29 223.569 24.188 -1.719
178 HA ASN 29 HA ASN 29 221.020 24.200 -3.186
179 1HB ASN 29 1HB ASN 29 222.046 23.855 -5.420
180 2HB ASN 29 2HB ASN 29 222.586 25.369 -4.750
181 1HD2 ASN 29 2HD2 ASN 29 225.976 24.319 -4.865
182 2HD2 ASN 29 1HD2 ASN 29 224.854 25.652 -4.592
183 HA PRO 30 HA PRO 30 220.728 19.852 -2.698
184 1HB PRO 30 2HB PRO 30 220.639 19.548 -5.715
185 2HB PRO 30 1HB PRO 30 219.630 18.740 -4.486
186 1HG PRO 30 1HG PRO 30 218.638 20.895 -5.748
187 2HG PRO 30 2HG PRO 30 218.499 20.821 -3.965
188 1HD PRO 30 1HD PRO 30 220.560 22.280 -5.631
189 2HD PRO 30 2HD PRO 30 219.606 22.899 -4.252
190 H TYR 31 H TYR 31 223.335 20.760 -4.956
191 HA TYR 31 HA TYR 31 224.767 18.186 -4.646
192 1HB TYR 31 2HB TYR 31 225.710 20.776 -5.936
193 2HB TYR 31 1HB TYR 31 226.447 19.198 -6.060
194 HD1 TYR 31 HD2 TYR 31 225.352 17.370 -7.381
195 HD2 TYR 31 HD1 TYR 31 223.731 21.374 -7.257
196 HE1 TYR 31 HE2 TYR 31 223.755 16.790 -9.200
197 HE2 TYR 31 HE1 TYR 31 222.106 20.762 -9.044
198 HH TYR 31 HH TYR 31 222.111 17.543 -10.553
199 H ALA 32 H ALA 32 224.528 21.172 -2.894
200 HA ALA 32 HA ALA 32 226.972 20.587 -1.340
201 1HB ALA 32 2HB ALA 32 227.707 21.698 -3.437
202 2HB ALA 32 3HB ALA 32 226.779 23.135 -2.958
203 3HB ALA 32 1HB ALA 32 228.116 22.540 -1.938
204 H SER 33 H SER 33 226.120 20.652 0.591
205 HA SER 33 HA SER 33 226.179 23.425 1.611
206 1HB SER 33 1HB SER 33 225.405 21.521 3.135
207 2HB SER 33 2HB SER 33 227.093 20.981 3.177
208 HG SER 33 HG SER 33 227.354 22.628 4.608
209 H GLN 34 H GLN 34 228.095 24.470 1.990
210 HA GLN 34 HA GLN 34 230.354 23.628 0.279
211 1HB GLN 34 2HB GLN 34 227.942 24.532 -0.729
212 2HB GLN 34 1HB GLN 34 228.779 26.045 -0.552
213 1HG GLN 34 2HG GLN 34 230.090 23.719 -2.031
214 2HG GLN 34 1HG GLN 34 228.835 24.697 -2.790
215 1HE2 GLN 34 2HE2 GLN 34 231.311 26.938 -3.833
216 2HE2 GLN 34 1HE2 GLN 34 229.879 26.009 -4.270
217 H CYS 35 H CYS 35 232.234 24.832 0.530
218 HA CYS 35 HA CYS 35 232.485 26.662 2.770
219 1HB CYS 35 2HB CYS 35 234.469 25.731 0.679
220 2HB CYS 35 1HB CYS 35 234.834 26.853 1.987
221 H LEU 36 H LEU 36 230.796 28.128 2.072
222 HA LEU 36 HA LEU 36 231.807 30.669 0.999
223 1HB LEU 36 2HB LEU 36 229.907 30.052 3.300
224 2HB LEU 36 1HB LEU 36 230.152 31.634 2.565
225 HG LEU 36 HG LEU 36 228.992 29.186 1.150
226 1HD1 LEU 36 3HD2 LEU 36 227.513 30.015 2.929
227 2HD1 LEU 36 1HD2 LEU 36 227.587 31.657 2.258
228 3HD1 LEU 36 2HD2 LEU 36 226.824 30.347 1.334
229 1HD2 LEU 36 1HD1 LEU 36 229.186 32.098 0.236
230 2HD2 LEU 36 2HD1 LEU 36 230.074 30.718 -0.454
231 3HD2 LEU 36 3HD1 LEU 36 228.318 30.802 -0.614
No H/Q in entry = 231
Start of MODEL 4
1 1H THR 1 1H THR 1 244.750 23.716 -1.164
2 2H THR 1 2H THR 1 245.188 22.495 -0.149
3 3H THR 1 3H THR 1 244.419 22.147 -1.585
4 HA THR 1 HA THR 1 242.855 21.888 0.124
5 HB THR 1 HB THR 1 243.680 24.592 1.267
6 HG1 THR 1 HG1 THR 1 244.844 23.157 2.760
7 1HG2 THR 1 2HG2 THR 1 241.488 23.655 2.033
8 2HG2 THR 1 3HG2 THR 1 242.312 22.177 2.562
9 3HG2 THR 1 1HG2 THR 1 242.682 23.720 3.333
10 H GLN 2 H GLN 2 240.655 22.361 -0.338
11 HA GLN 2 HA GLN 2 240.131 24.318 -2.415
12 1HB GLN 2 1HB GLN 2 239.115 22.161 -2.600
13 2HB GLN 2 2HB GLN 2 238.472 22.241 -0.958
14 1HG GLN 2 1HG GLN 2 236.698 22.524 -2.589
15 2HG GLN 2 2HG GLN 2 236.854 23.959 -1.581
16 1HE2 GLN 2 2HE2 GLN 2 236.412 25.010 -5.145
17 2HE2 GLN 2 1HE2 GLN 2 235.472 23.875 -4.208
18 H SER 3 H SER 3 240.135 26.436 -1.738
19 HA SER 3 HA SER 3 238.964 27.282 0.848
20 1HB SER 3 1HB SER 3 240.979 28.366 0.211
21 2HB SER 3 2HB SER 3 240.343 28.811 -1.375
22 HG SER 3 HG SER 3 239.183 29.718 1.073
23 H HIS 4 H HIS 4 238.264 29.505 -1.699
24 HA HIS 4 HA HIS 4 235.547 29.530 -1.019
25 1HB HIS 4 1HB HIS 4 237.152 31.338 -2.143
26 2HB HIS 4 2HB HIS 4 236.435 30.749 -3.633
27 HD2 HIS 4 HD2 HIS 4 234.464 31.321 -0.229
28 HE1 HIS 4 HE1 HIS 4 233.233 34.271 -2.986
29 HE2 HIS 4 HE2 HIS 4 232.835 33.297 -0.653
30 H TYR 5 H TYR 5 233.835 28.484 -1.637
31 HA TYR 5 HA TYR 5 232.251 27.464 -2.818
32 1HB TYR 5 2HB TYR 5 233.900 27.749 -5.319
33 2HB TYR 5 1HB TYR 5 232.194 27.381 -5.223
34 HD1 TYR 5 HD2 TYR 5 230.813 29.180 -3.601
35 HD2 TYR 5 HD1 TYR 5 234.344 29.992 -5.965
36 HE1 TYR 5 HE2 TYR 5 230.142 31.565 -3.808
37 HE2 TYR 5 HE1 TYR 5 233.645 32.364 -6.172
38 HH TYR 5 HH TYR 5 232.141 33.919 -5.568
39 H GLY 6 H GLY 6 233.683 25.825 -1.317
40 1HA GLY 6 2HA GLY 6 234.264 23.275 -2.754
41 2HA GLY 6 1HA GLY 6 234.595 23.659 -1.070
42 H GLN 7 H GLN 7 232.659 21.737 -3.001
43 HA GLN 7 HA GLN 7 230.191 21.738 -1.575
44 1HB GLN 7 1HB GLN 7 230.325 20.931 -3.810
45 2HB GLN 7 2HB GLN 7 231.487 19.660 -3.376
46 1HG GLN 7 2HG GLN 7 229.819 18.435 -2.089
47 2HG GLN 7 1HG GLN 7 228.686 19.779 -2.185
48 1HE2 GLN 7 2HE2 GLN 7 227.297 17.467 -4.560
49 2HE2 GLN 7 1HE2 GLN 7 227.410 17.706 -2.810
50 H CYS 8 H CYS 8 230.289 21.497 0.669
51 HA CYS 8 HA CYS 8 231.164 18.823 1.722
52 1HB CYS 8 1HB CYS 8 230.194 21.157 3.361
53 2HB CYS 8 2HB CYS 8 231.228 19.807 3.852
54 H GLY 9 H GLY 9 229.168 18.249 0.156
55 1HA GLY 9 1HA GLY 9 226.891 17.623 1.865
56 2HA GLY 9 2HA GLY 9 226.527 18.929 0.733
57 H GLY 10 H GLY 10 225.049 16.713 0.773
58 1HA GLY 10 1HA GLY 10 225.855 14.295 -0.024
59 2HA GLY 10 2HA GLY 10 224.206 14.843 -0.241
60 H ILE 11 H ILE 11 223.777 15.991 -2.456
61 HA ILE 11 HA ILE 11 224.070 13.842 -4.251
62 HB ILE 11 HB ILE 11 223.014 16.622 -4.806
63 1HG1 ILE 11 2HG1 ILE 11 221.689 13.956 -4.086
64 2HG1 ILE 11 1HG1 ILE 11 221.820 15.375 -3.045
65 1HG2 ILE 11 2HG2 ILE 11 223.660 15.486 -6.946
66 2HG2 ILE 11 3HG2 ILE 11 222.682 14.083 -6.477
67 3HG2 ILE 11 1HG2 ILE 11 221.924 15.657 -6.778
68 1HD1 ILE 11 3HD1 ILE 11 220.422 16.658 -4.725
69 2HD1 ILE 11 1HD1 ILE 11 220.113 15.115 -5.551
70 3HD1 ILE 11 2HD1 ILE 11 219.597 15.337 -3.878
71 H GLY 12 H GLY 12 225.818 13.167 -5.175
72 1HA GLY 12 1HA GLY 12 227.418 13.391 -7.039
73 2HA GLY 12 2HA GLY 12 227.785 15.020 -6.506
74 H TYR 13 H TYR 13 227.841 13.920 -3.557
75 HA TYR 13 HA TYR 13 230.776 13.935 -3.916
76 1HB TYR 13 1HB TYR 13 229.228 15.822 -3.029
77 2HB TYR 13 2HB TYR 13 229.325 14.967 -1.507
78 HD1 TYR 13 HD1 TYR 13 231.217 16.675 -4.213
79 HD2 TYR 13 HD2 TYR 13 231.501 14.982 -0.249
80 HE1 TYR 13 HE1 TYR 13 233.484 17.658 -3.953
81 HE2 TYR 13 HE2 TYR 13 233.774 15.983 0.001
82 HH TYR 13 HH TYR 13 235.205 18.042 -2.522
83 H SER 14 H SER 14 230.660 11.450 -3.971
84 HA SER 14 HA SER 14 231.146 10.146 -1.363
85 1HB SER 14 1HB SER 14 232.017 8.312 -2.719
86 2HB SER 14 2HB SER 14 230.495 8.885 -3.426
87 HG SER 14 HG SER 14 233.129 9.531 -4.260
88 H GLY 15 H GLY 15 232.460 12.478 -1.062
89 1HA GLY 15 1HA GLY 15 235.283 12.173 -2.071
90 2HA GLY 15 2HA GLY 15 234.339 13.643 -2.197
91 HA PRO 16 HA PRO 16 236.675 13.716 1.926
92 1HB PRO 16 1HB PRO 16 239.248 14.324 1.417
93 2HB PRO 16 2HB PRO 16 238.642 12.663 1.224
94 1HG PRO 16 1HG PRO 16 238.999 14.737 -0.966
95 2HG PRO 16 2HG PRO 16 239.588 13.059 -0.953
96 1HD PRO 16 1HD PRO 16 237.202 13.823 -2.132
97 2HD PRO 16 2HD PRO 16 237.452 12.205 -1.409
98 H THR 17 H THR 17 235.804 15.647 2.712
99 HA THR 17 HA THR 17 235.788 18.136 1.226
100 HB THR 17 HB THR 17 234.816 19.128 3.230
101 HG1 THR 17 HG1 THR 17 236.014 18.011 4.787
102 1HG2 THR 17 2HG2 THR 17 233.380 17.742 1.706
103 2HG2 THR 17 3HG2 THR 17 233.614 16.362 2.805
104 3HG2 THR 17 1HG2 THR 17 232.808 17.829 3.383
105 H VAL 18 H VAL 18 238.262 17.919 0.890
106 HA VAL 18 HA VAL 18 240.038 18.829 3.011
107 HB VAL 18 HB VAL 18 240.607 18.792 0.023
108 1HG1 VAL 18 3HG2 VAL 18 242.341 19.989 1.421
109 2HG1 VAL 18 1HG2 VAL 18 242.478 18.553 2.437
110 3HG1 VAL 18 2HG2 VAL 18 242.954 18.496 0.729
111 1HG2 VAL 18 1HG1 VAL 18 240.954 16.552 2.073
112 2HG2 VAL 18 2HG1 VAL 18 239.879 16.539 0.665
113 3HG2 VAL 18 3HG1 VAL 18 241.614 16.547 0.424
114 H CYS 19 H CYS 19 238.371 20.637 3.446
115 HA CYS 19 HA CYS 19 238.678 23.065 1.832
116 1HB CYS 19 1HB CYS 19 236.452 22.368 2.280
117 2HB CYS 19 2HB CYS 19 236.756 22.237 4.017
118 H ALA 20 H ALA 20 239.020 25.198 2.765
119 HA ALA 20 HA ALA 20 241.152 25.210 4.864
120 1HB ALA 20 2HB ALA 20 241.685 26.325 2.763
121 2HB ALA 20 3HB ALA 20 240.255 27.375 2.933
122 3HB ALA 20 1HB ALA 20 241.587 27.490 4.095
123 H SER 21 H SER 21 240.189 25.168 6.882
124 HA SER 21 HA SER 21 237.775 26.237 7.770
125 1HB SER 21 2HB SER 21 238.704 26.038 10.023
126 2HB SER 21 1HB SER 21 239.141 24.639 9.041
127 HG SER 21 HG SER 21 240.809 26.927 9.400
128 H GLY 22 H GLY 22 237.415 28.224 6.898
129 1HA GLY 22 1HA GLY 22 238.102 30.764 8.027
130 2HA GLY 22 2HA GLY 22 239.287 30.351 6.771
131 H THR 23 H THR 23 237.919 29.067 4.911
132 HA THR 23 HA THR 23 235.251 30.313 4.456
133 HB THR 23 HB THR 23 235.038 29.126 2.403
134 HG1 THR 23 HG1 THR 23 236.631 27.937 1.538
135 1HG2 THR 23 1HG2 THR 23 236.072 31.390 2.369
136 2HG2 THR 23 2HG2 THR 23 237.680 30.652 2.453
137 3HG2 THR 23 3HG2 THR 23 236.645 30.383 1.031
138 H THR 24 H THR 24 233.498 28.813 4.289
139 HA THR 24 HA THR 24 233.590 27.432 6.846
140 HB THR 24 HB THR 24 231.146 27.850 6.851
141 HG1 THR 24 HG1 THR 24 231.644 29.295 4.471
142 1HG2 THR 24 3HG2 THR 24 232.923 30.234 6.144
143 2HG2 THR 24 1HG2 THR 24 231.321 30.328 6.885
144 3HG2 THR 24 2HG2 THR 24 232.666 29.553 7.755
145 H CYS 25 H CYS 25 231.174 26.684 4.488
146 HA CYS 25 HA CYS 25 230.848 24.369 3.459
147 1HB CYS 25 1HB CYS 25 231.333 23.490 6.326
148 2HB CYS 25 2HB CYS 25 230.511 22.520 5.146
149 H GLN 26 H GLN 26 229.073 26.244 3.416
150 HA GLN 26 HA GLN 26 226.789 25.610 5.253
151 1HB GLN 26 1HB GLN 26 228.103 27.606 5.793
152 2HB GLN 26 2HB GLN 26 227.618 28.330 4.249
153 1HG GLN 26 1HG GLN 26 225.283 28.400 4.939
154 2HG GLN 26 2HG GLN 26 225.583 27.296 6.290
155 1HE2 GLN 26 2HE2 GLN 26 227.320 30.784 7.242
156 2HE2 GLN 26 1HE2 GLN 26 227.959 29.861 5.875
157 H VAL 27 H VAL 27 224.771 25.489 4.530
158 HA VAL 27 HA VAL 27 224.126 24.499 2.064
159 HB VAL 27 HB VAL 27 222.301 25.798 4.066
160 1HG1 VAL 27 1HG2 VAL 27 221.652 23.964 1.704
161 2HG1 VAL 27 2HG2 VAL 27 220.529 24.399 3.008
162 3HG1 VAL 27 3HG2 VAL 27 221.112 25.644 1.907
163 1HG2 VAL 27 2HG1 VAL 27 223.649 23.844 4.909
164 2HG2 VAL 27 3HG1 VAL 27 221.940 23.439 4.765
165 3HG2 VAL 27 1HG1 VAL 27 223.084 22.883 3.535
166 H LEU 28 H LEU 28 224.313 25.337 0.062
167 HA LEU 28 HA LEU 28 222.945 27.962 -0.552
168 1HB LEU 28 1HB LEU 28 224.452 26.245 -2.526
169 2HB LEU 28 2HB LEU 28 223.930 27.924 -2.678
170 HG LEU 28 HG LEU 28 226.179 26.780 -1.003
171 1HD1 LEU 28 1HD2 LEU 28 226.538 27.079 -3.475
172 2HD1 LEU 28 2HD2 LEU 28 226.088 28.792 -3.316
173 3HD1 LEU 28 3HD2 LEU 28 227.555 28.192 -2.534
174 1HD2 LEU 28 1HD1 LEU 28 225.303 29.702 -1.122
175 2HD2 LEU 28 2HD1 LEU 28 225.186 28.645 0.305
176 3HD2 LEU 28 3HD1 LEU 28 226.770 29.041 -0.363
177 H ASN 29 H ASN 29 222.918 24.514 -1.287
178 HA ASN 29 HA ASN 29 220.256 24.482 -2.542
179 1HB ASN 29 1HB ASN 29 221.288 23.691 -4.751
180 2HB ASN 29 2HB ASN 29 221.600 25.369 -4.363
181 1HD2 ASN 29 2HD2 ASN 29 225.034 24.648 -4.918
182 2HD2 ASN 29 1HD2 ASN 29 223.711 25.785 -5.170
183 HA PRO 30 HA PRO 30 220.457 20.256 -1.129
184 1HB PRO 30 1HB PRO 30 219.013 18.756 -2.890
185 2HB PRO 30 2HB PRO 30 218.286 20.065 -1.933
186 1HG PRO 30 1HG PRO 30 219.387 20.309 -4.753
187 2HG PRO 30 2HG PRO 30 217.727 20.686 -4.211
188 1HD PRO 30 2HD PRO 30 219.508 22.659 -4.339
189 2HD PRO 30 1HD PRO 30 218.495 22.544 -2.883
190 H TYR 31 H TYR 31 222.807 21.127 -2.882
191 HA TYR 31 HA TYR 31 223.971 18.415 -3.369
192 1HB TYR 31 2HB TYR 31 224.663 20.930 -4.977
193 2HB TYR 31 1HB TYR 31 225.384 19.345 -5.103
194 HD1 TYR 31 HD2 TYR 31 222.107 21.179 -5.455
195 HD2 TYR 31 HD1 TYR 31 224.656 18.015 -6.907
196 HE1 TYR 31 HE2 TYR 31 220.464 20.679 -7.252
197 HE2 TYR 31 HE1 TYR 31 223.026 17.562 -8.741
198 HH TYR 31 HH TYR 31 219.928 19.311 -8.955
199 H ALA 32 H ALA 32 224.964 21.795 -3.187
200 HA ALA 32 HA ALA 32 227.241 21.216 -1.398
201 1HB ALA 32 2HB ALA 32 227.647 22.281 -3.553
202 2HB ALA 32 3HB ALA 32 226.620 23.652 -3.089
203 3HB ALA 32 1HB ALA 32 228.110 23.309 -2.186
204 H SER 33 H SER 33 226.671 21.224 0.643
205 HA SER 33 HA SER 33 226.066 23.897 1.781
206 1HB SER 33 1HB SER 33 225.443 21.901 3.145
207 2HB SER 33 2HB SER 33 227.169 21.522 3.311
208 HG SER 33 HG SER 33 227.332 23.244 4.655
209 H GLN 34 H GLN 34 227.501 25.309 1.130
210 HA GLN 34 HA GLN 34 229.940 24.334 -0.147
211 1HB GLN 34 1HB GLN 34 228.100 25.619 -1.302
212 2HB GLN 34 2HB GLN 34 228.521 27.015 -0.311
213 1HG GLN 34 1HG GLN 34 229.643 27.475 -2.273
214 2HG GLN 34 2HG GLN 34 230.912 26.733 -1.324
215 1HE2 GLN 34 2HE2 GLN 34 230.411 25.242 -4.871
216 2HE2 GLN 34 1HE2 GLN 34 230.015 26.901 -4.425
217 H CYS 35 H CYS 35 232.059 24.912 0.434
218 HA CYS 35 HA CYS 35 232.641 26.669 2.671
219 1HB CYS 35 2HB CYS 35 234.500 25.612 0.511
220 2HB CYS 35 1HB CYS 35 234.952 26.601 1.893
221 H LEU 36 H LEU 36 231.168 28.367 2.114
222 HA LEU 36 HA LEU 36 232.180 30.614 0.494
223 1HB LEU 36 1HB LEU 36 230.209 30.457 2.834
224 2HB LEU 36 2HB LEU 36 230.518 31.884 1.843
225 HG LEU 36 HG LEU 36 229.258 29.278 0.842
226 1HD1 LEU 36 1HD2 LEU 36 228.156 32.020 1.625
227 2HD1 LEU 36 2HD2 LEU 36 227.219 30.820 0.736
228 3HD1 LEU 36 3HD2 LEU 36 227.791 30.452 2.373
229 1HD2 LEU 36 1HD1 LEU 36 229.903 31.930 -0.526
230 2HD2 LEU 36 2HD1 LEU 36 230.451 30.306 -0.997
231 3HD2 LEU 36 3HD1 LEU 36 228.748 30.750 -1.185
No H/Q in entry = 231
Start of MODEL 5
1 1H THR 1 1H THR 1 243.831 20.446 -0.015
2 2H THR 1 2H THR 1 244.387 21.957 0.324
3 3H THR 1 3H THR 1 244.456 20.799 1.488
4 HA THR 1 HA THR 1 242.091 20.854 1.721
5 HB THR 1 HB THR 1 241.791 23.406 2.201
6 HG1 THR 1 HG1 THR 1 243.622 24.643 1.779
7 1HG2 THR 1 1HG2 THR 1 244.401 22.181 3.257
8 2HG2 THR 1 2HG2 THR 1 243.509 23.542 3.939
9 3HG2 THR 1 3HG2 THR 1 242.790 21.932 3.948
10 H GLN 2 H GLN 2 239.987 22.052 1.136
11 HA GLN 2 HA GLN 2 239.670 22.408 -1.795
12 1HB GLN 2 2HB GLN 2 238.097 20.990 -0.614
13 2HB GLN 2 1HB GLN 2 237.702 22.294 0.506
14 1HG GLN 2 2HG GLN 2 236.740 23.634 -1.349
15 2HG GLN 2 1HG GLN 2 237.137 22.344 -2.495
16 1HE2 GLN 2 2HE2 GLN 2 233.956 20.937 -1.790
17 2HE2 GLN 2 1HE2 GLN 2 235.160 21.323 -3.029
18 H SER 3 H SER 3 239.696 24.417 -2.701
19 HA SER 3 HA SER 3 240.011 26.832 -1.073
20 1HB SER 3 1HB SER 3 241.209 26.413 -3.254
21 2HB SER 3 2HB SER 3 239.660 26.670 -4.090
22 HG SER 3 HG SER 3 240.872 28.650 -3.889
23 H HIS 4 H HIS 4 238.775 28.834 -2.083
24 HA HIS 4 HA HIS 4 236.272 28.779 -0.811
25 1HB HIS 4 1HB HIS 4 237.823 30.773 -1.204
26 2HB HIS 4 2HB HIS 4 237.121 30.909 -2.817
27 HD2 HIS 4 HD2 HIS 4 234.731 30.119 0.199
28 HE1 HIS 4 HE1 HIS 4 234.527 34.265 -0.463
29 HE2 HIS 4 HE2 HIS 4 233.610 32.300 0.934
30 H TYR 5 H TYR 5 234.179 28.743 -1.436
31 HA TYR 5 HA TYR 5 232.302 28.399 -2.514
32 1HB TYR 5 1HB TYR 5 233.715 29.103 -5.101
33 2HB TYR 5 2HB TYR 5 231.984 29.077 -4.849
34 HD1 TYR 5 HD2 TYR 5 231.331 30.520 -2.495
35 HD2 TYR 5 HD1 TYR 5 234.478 31.342 -5.348
36 HE1 TYR 5 HE2 TYR 5 231.328 32.921 -1.831
37 HE2 TYR 5 HE1 TYR 5 234.451 33.731 -4.673
38 HH TYR 5 HH TYR 5 233.712 35.197 -3.123
39 H GLY 6 H GLY 6 234.148 26.141 -2.146
40 1HA GLY 6 1HA GLY 6 233.470 24.200 -4.286
41 2HA GLY 6 2HA GLY 6 234.520 23.960 -2.902
42 H GLN 7 H GLN 7 231.975 22.509 -4.147
43 HA GLN 7 HA GLN 7 229.965 22.305 -2.141
44 1HB GLN 7 1HB GLN 7 229.562 21.558 -4.343
45 2HB GLN 7 2HB GLN 7 230.930 20.440 -4.336
46 1HG GLN 7 2HG GLN 7 229.788 18.948 -2.770
47 2HG GLN 7 1HG GLN 7 228.442 20.083 -2.602
48 1HE2 GLN 7 2HE2 GLN 7 227.482 17.426 -5.072
49 2HE2 GLN 7 1HE2 GLN 7 227.973 17.373 -3.381
50 H CYS 8 H CYS 8 230.011 21.511 -0.086
51 HA CYS 8 HA CYS 8 231.592 19.050 0.550
52 1HB CYS 8 1HB CYS 8 230.601 20.850 2.729
53 2HB CYS 8 2HB CYS 8 232.005 19.801 2.677
54 H GLY 9 H GLY 9 229.275 18.679 -0.810
55 1HA GLY 9 1HA GLY 9 227.271 17.685 1.165
56 2HA GLY 9 2HA GLY 9 226.761 18.895 -0.019
57 H GLY 10 H GLY 10 225.451 16.552 0.149
58 1HA GLY 10 1HA GLY 10 226.859 14.269 -0.608
59 2HA GLY 10 2HA GLY 10 225.135 14.351 -0.315
60 H ILE 11 H ILE 11 224.295 15.837 -2.614
61 HA ILE 11 HA ILE 11 223.715 13.658 -4.255
62 HB ILE 11 HB ILE 11 223.590 16.572 -5.064
63 1HG1 ILE 11 2HG1 ILE 11 221.523 14.755 -3.725
64 2HG1 ILE 11 1HG1 ILE 11 222.351 16.126 -2.982
65 1HG2 ILE 11 2HG2 ILE 11 223.407 15.088 -7.041
66 2HG2 ILE 11 3HG2 ILE 11 222.143 14.146 -6.229
67 3HG2 ILE 11 1HG2 ILE 11 221.864 15.835 -6.692
68 1HD1 ILE 11 1HD1 ILE 11 221.301 17.647 -4.690
69 2HD1 ILE 11 2HD1 ILE 11 220.285 16.279 -5.199
70 3HD1 ILE 11 3HD1 ILE 11 220.186 16.881 -3.541
71 H GLY 12 H GLY 12 224.854 12.489 -5.687
72 1HA GLY 12 1HA GLY 12 226.496 11.761 -7.134
73 2HA GLY 12 2HA GLY 12 226.534 13.400 -7.787
74 H TYR 13 H TYR 13 227.402 12.578 -4.426
75 HA TYR 13 HA TYR 13 230.241 13.297 -4.996
76 1HB TYR 13 1HB TYR 13 228.391 15.093 -4.218
77 2HB TYR 13 2HB TYR 13 228.724 14.404 -2.644
78 HD1 TYR 13 HD1 TYR 13 230.569 15.600 -5.714
79 HD2 TYR 13 HD2 TYR 13 230.311 15.697 -1.400
80 HE1 TYR 13 HE1 TYR 13 232.469 17.216 -5.624
81 HE2 TYR 13 HE2 TYR 13 232.095 17.402 -1.340
82 HH TYR 13 HH TYR 13 233.298 18.859 -2.638
83 H SER 14 H SER 14 231.407 13.479 -2.809
84 HA SER 14 HA SER 14 231.046 11.525 -0.758
85 1HB SER 14 2HB SER 14 232.951 10.739 -3.007
86 2HB SER 14 1HB SER 14 233.250 10.210 -1.341
87 HG SER 14 HG SER 14 230.729 9.793 -2.538
88 H GLY 15 H GLY 15 233.768 13.031 -2.501
89 1HA GLY 15 1HA GLY 15 235.122 14.831 -1.990
90 2HA GLY 15 2HA GLY 15 233.669 15.359 -1.207
91 HA PRO 16 HA PRO 16 236.765 14.291 2.395
92 1HB PRO 16 1HB PRO 16 239.405 14.127 1.772
93 2HB PRO 16 2HB PRO 16 238.318 12.717 1.672
94 1HG PRO 16 1HG PRO 16 239.082 14.593 -0.596
95 2HG PRO 16 2HG PRO 16 239.267 12.817 -0.568
96 1HD PRO 16 2HD PRO 16 237.106 13.942 -1.707
97 2HD PRO 16 1HD PRO 16 236.885 12.496 -0.684
98 H THR 17 H THR 17 235.677 16.411 2.148
99 HA THR 17 HA THR 17 237.043 18.622 0.836
100 HB THR 17 HB THR 17 234.768 19.761 1.478
101 HG1 THR 17 HG1 THR 17 234.019 17.023 1.719
102 1HG2 THR 17 1HG2 THR 17 234.956 17.348 -0.378
103 2HG2 THR 17 2HG2 THR 17 233.708 18.600 -0.399
104 3HG2 THR 17 3HG2 THR 17 235.383 19.016 -0.783
105 H VAL 18 H VAL 18 238.756 18.300 2.622
106 HA VAL 18 HA VAL 18 238.419 19.955 4.995
107 HB VAL 18 HB VAL 18 241.023 19.249 3.596
108 1HG1 VAL 18 3HG2 VAL 18 241.146 21.104 5.329
109 2HG1 VAL 18 1HG2 VAL 18 240.445 19.993 6.508
110 3HG1 VAL 18 2HG2 VAL 18 242.030 19.644 5.796
111 1HG2 VAL 18 1HG1 VAL 18 239.508 17.768 5.798
112 2HG2 VAL 18 2HG1 VAL 18 239.798 17.172 4.151
113 3HG2 VAL 18 3HG1 VAL 18 241.158 17.400 5.257
114 H CYS 19 H CYS 19 237.231 21.680 4.007
115 HA CYS 19 HA CYS 19 238.033 23.645 2.229
116 1HB CYS 19 1HB CYS 19 235.824 23.400 3.222
117 2HB CYS 19 2HB CYS 19 236.438 23.897 4.800
118 H ALA 20 H ALA 20 238.961 25.758 2.410
119 HA ALA 20 HA ALA 20 241.353 26.032 4.012
120 1HB ALA 20 2HB ALA 20 241.163 27.013 1.799
121 2HB ALA 20 3HB ALA 20 239.844 28.071 2.345
122 3HB ALA 20 1HB ALA 20 241.476 28.269 3.009
123 H SER 21 H SER 21 240.274 25.515 6.045
124 HA SER 21 HA SER 21 238.484 26.555 7.593
125 1HB SER 21 1HB SER 21 240.178 24.897 8.298
126 2HB SER 21 2HB SER 21 241.295 26.220 8.683
127 HG SER 21 HG SER 21 238.679 25.952 9.818
128 H GLY 22 H GLY 22 237.717 28.500 7.511
129 1HA GLY 22 1HA GLY 22 238.310 30.993 8.537
130 2HA GLY 22 2HA GLY 22 239.367 30.869 7.116
131 H THR 23 H THR 23 238.094 29.627 5.260
132 HA THR 23 HA THR 23 235.217 30.414 5.031
133 HB THR 23 HB THR 23 235.238 29.344 2.834
134 HG1 THR 23 HG1 THR 23 237.355 28.870 1.960
135 1HG2 THR 23 2HG2 THR 23 237.475 31.390 3.200
136 2HG2 THR 23 3HG2 THR 23 236.726 30.978 1.657
137 3HG2 THR 23 1HG2 THR 23 235.755 31.736 2.930
138 H THR 24 H THR 24 233.795 28.531 4.539
139 HA THR 24 HA THR 24 234.115 26.757 6.903
140 HB THR 24 HB THR 24 231.697 27.068 7.138
141 HG1 THR 24 HG1 THR 24 232.009 28.872 4.945
142 1HG2 THR 24 2HG2 THR 24 233.396 28.698 8.130
143 2HG2 THR 24 3HG2 THR 24 233.104 29.751 6.743
144 3HG2 THR 24 1HG2 THR 24 231.778 29.363 7.852
145 H CYS 25 H CYS 25 231.485 26.368 4.699
146 HA CYS 25 HA CYS 25 231.101 24.224 3.336
147 1HB CYS 25 1HB CYS 25 232.066 22.944 5.881
148 2HB CYS 25 2HB CYS 25 231.078 22.117 4.696
149 H GLN 26 H GLN 26 229.256 25.891 3.629
150 HA GLN 26 HA GLN 26 227.080 24.736 5.343
151 1HB GLN 26 1HB GLN 26 226.475 26.866 6.198
152 2HB GLN 26 2HB GLN 26 228.155 26.487 6.577
153 1HG GLN 26 2HG GLN 26 228.818 27.944 4.575
154 2HG GLN 26 1HG GLN 26 227.116 28.428 4.471
155 1HE2 GLN 26 2HE2 GLN 26 229.453 30.324 7.088
156 2HE2 GLN 26 1HE2 GLN 26 230.106 29.207 5.891
157 H VAL 27 H VAL 27 224.922 25.407 4.882
158 HA VAL 27 HA VAL 27 224.165 24.444 2.432
159 HB VAL 27 HB VAL 27 222.443 26.070 4.309
160 1HG1 VAL 27 1HG2 VAL 27 221.731 24.027 2.147
161 2HG1 VAL 27 2HG2 VAL 27 220.609 24.630 3.380
162 3HG1 VAL 27 3HG2 VAL 27 221.265 25.742 2.181
163 1HG2 VAL 27 1HG1 VAL 27 223.094 23.082 4.209
164 2HG2 VAL 27 2HG1 VAL 27 223.513 24.202 5.520
165 3HG2 VAL 27 3HG1 VAL 27 221.827 23.815 5.210
166 H LEU 28 H LEU 28 224.544 25.269 0.429
167 HA LEU 28 HA LEU 28 223.273 27.844 -0.398
168 1HB LEU 28 1HB LEU 28 224.268 25.582 -2.180
169 2HB LEU 28 2HB LEU 28 223.826 27.228 -2.635
170 HG LEU 28 HG LEU 28 226.250 26.326 -1.046
171 1HD1 LEU 28 2HD1 LEU 28 226.275 25.803 -3.475
172 2HD1 LEU 28 3HD1 LEU 28 225.866 27.491 -3.859
173 3HD1 LEU 28 1HD1 LEU 28 227.410 27.100 -3.122
174 1HD2 LEU 28 2HD2 LEU 28 225.478 29.152 -1.932
175 2HD2 LEU 28 3HD2 LEU 28 225.549 28.563 -0.253
176 3HD2 LEU 28 1HD2 LEU 28 227.025 28.667 -1.215
177 H ASN 29 H ASN 29 222.869 24.345 -0.922
178 HA ASN 29 HA ASN 29 220.004 24.406 -1.471
179 1HB ASN 29 1HB ASN 29 220.206 24.207 -3.932
180 2HB ASN 29 2HB ASN 29 221.023 25.643 -3.409
181 1HD2 ASN 29 1HD2 ASN 29 223.923 24.575 -5.117
182 2HD2 ASN 29 2HD2 ASN 29 222.898 25.921 -4.624
183 HA PRO 30 HA PRO 30 219.913 20.044 -1.039
184 1HB PRO 30 2HB PRO 30 219.422 19.583 -3.995
185 2HB PRO 30 1HB PRO 30 218.604 18.830 -2.598
186 1HG PRO 30 2HG PRO 30 217.407 20.886 -3.863
187 2HG PRO 30 1HG PRO 30 217.475 20.910 -2.073
188 1HD PRO 30 2HD PRO 30 219.308 22.281 -4.046
189 2HD PRO 30 1HD PRO 30 218.491 23.006 -2.622
190 H TYR 31 H TYR 31 221.908 20.758 -3.955
191 HA TYR 31 HA TYR 31 223.572 18.381 -3.732
192 1HB TYR 31 2HB TYR 31 224.135 21.035 -5.125
193 2HB TYR 31 1HB TYR 31 225.048 19.557 -5.306
194 HD1 TYR 31 HD2 TYR 31 221.754 21.172 -6.019
195 HD2 TYR 31 HD1 TYR 31 224.444 17.916 -6.943
196 HE1 TYR 31 HE2 TYR 31 220.345 20.555 -7.972
197 HE2 TYR 31 HE1 TYR 31 223.060 17.363 -8.943
198 HH TYR 31 HH TYR 31 220.087 19.154 -9.733
199 H ALA 32 H ALA 32 223.820 21.694 -2.554
200 HA ALA 32 HA ALA 32 226.661 21.222 -1.689
201 1HB ALA 32 3HB ALA 32 225.392 23.522 -3.193
202 2HB ALA 32 1HB ALA 32 227.074 23.462 -2.636
203 3HB ALA 32 2HB ALA 32 226.491 22.293 -3.831
204 H SER 33 H SER 33 226.273 20.984 0.514
205 HA SER 33 HA SER 33 226.092 23.574 1.981
206 1HB SER 33 1HB SER 33 225.497 21.485 3.169
207 2HB SER 33 2HB SER 33 227.166 20.907 2.997
208 HG SER 33 HG SER 33 227.767 22.482 4.482
209 H GLN 34 H GLN 34 227.633 24.973 1.260
210 HA GLN 34 HA GLN 34 230.011 23.890 -0.129
211 1HB GLN 34 1HB GLN 34 228.201 25.193 -1.301
212 2HB GLN 34 2HB GLN 34 228.653 26.585 -0.312
213 1HG GLN 34 1HG GLN 34 231.082 26.133 -1.404
214 2HG GLN 34 2HG GLN 34 230.127 25.226 -2.584
215 1HE2 GLN 34 2HE2 GLN 34 229.829 28.362 -4.237
216 2HE2 GLN 34 1HE2 GLN 34 230.519 26.743 -4.351
217 H CYS 35 H CYS 35 232.063 24.542 0.248
218 HA CYS 35 HA CYS 35 233.118 25.904 2.501
219 1HB CYS 35 1HB CYS 35 234.264 24.239 1.122
220 2HB CYS 35 2HB CYS 35 234.234 25.324 -0.261
221 H LEU 36 H LEU 36 231.519 27.674 2.442
222 HA LEU 36 HA LEU 36 231.997 30.106 0.839
223 1HB LEU 36 1HB LEU 36 230.136 29.273 3.100
224 2HB LEU 36 2HB LEU 36 230.242 30.944 2.592
225 HG LEU 36 HG LEU 36 229.471 28.725 0.665
226 1HD1 LEU 36 1HD2 LEU 36 227.801 30.530 2.479
227 2HD1 LEU 36 2HD2 LEU 36 227.128 29.728 1.055
228 3HD1 LEU 36 3HD2 LEU 36 227.780 28.754 2.378
229 1HD2 LEU 36 2HD1 LEU 36 230.301 30.884 -0.362
230 2HD2 LEU 36 3HD1 LEU 36 228.583 30.597 -0.671
231 3HD2 LEU 36 1HD1 LEU 36 229.072 31.762 0.573
No H/Q in entry = 231
Start of MODEL 6
1 1H THR 1 3H THR 1 245.436 22.910 0.147
2 2H THR 1 1H THR 1 245.077 23.539 1.627
3 3H THR 1 2H THR 1 245.310 21.915 1.482
4 HA THR 1 HA THR 1 243.257 21.698 0.315
5 HB THR 1 HB THR 1 241.662 22.926 1.977
6 HG1 THR 1 HG1 THR 1 242.720 23.937 3.674
7 1HG2 THR 1 3HG2 THR 1 243.876 21.217 3.226
8 2HG2 THR 1 1HG2 THR 1 242.288 21.577 3.911
9 3HG2 THR 1 2HG2 THR 1 242.398 20.618 2.442
10 H GLN 2 H GLN 2 241.132 22.811 -0.397
11 HA GLN 2 HA GLN 2 241.764 25.245 -1.973
12 1HB GLN 2 1HB GLN 2 239.922 24.761 -3.281
13 2HB GLN 2 2HB GLN 2 240.615 23.194 -2.925
14 1HG GLN 2 2HG GLN 2 238.279 22.891 -2.731
15 2HG GLN 2 1HG GLN 2 238.846 22.951 -1.064
16 1HE2 GLN 2 2HE2 GLN 2 236.548 25.586 -0.498
17 2HE2 GLN 2 1HE2 GLN 2 237.169 24.054 0.116
18 H SER 3 H SER 3 240.046 27.014 -1.989
19 HA SER 3 HA SER 3 239.165 27.686 0.824
20 1HB SER 3 1HB SER 3 241.063 29.014 0.322
21 2HB SER 3 2HB SER 3 240.450 29.455 -1.284
22 HG SER 3 HG SER 3 240.067 31.080 0.417
23 H HIS 4 H HIS 4 238.309 29.917 -1.566
24 HA HIS 4 HA HIS 4 235.572 29.664 -1.089
25 1HB HIS 4 1HB HIS 4 237.071 31.645 -1.926
26 2HB HIS 4 2HB HIS 4 236.682 31.073 -3.546
27 HD2 HIS 4 HD2 HIS 4 233.479 30.623 -1.711
28 HE1 HIS 4 HE1 HIS 4 233.621 34.787 -2.463
29 HE2 HIS 4 HE2 HIS 4 232.140 32.887 -1.647
30 H TYR 5 H TYR 5 234.101 28.298 -1.828
31 HA TYR 5 HA TYR 5 232.651 27.256 -3.205
32 1HB TYR 5 2HB TYR 5 234.488 27.634 -5.575
33 2HB TYR 5 1HB TYR 5 232.791 27.233 -5.595
34 HD1 TYR 5 HD1 TYR 5 231.129 28.968 -4.477
35 HD2 TYR 5 HD2 TYR 5 235.108 29.932 -5.860
36 HE1 TYR 5 HE1 TYR 5 230.540 31.396 -4.520
37 HE2 TYR 5 HE2 TYR 5 234.528 32.348 -5.817
38 HH TYR 5 HH TYR 5 233.007 33.865 -5.169
39 H GLY 6 H GLY 6 233.644 25.629 -1.631
40 1HA GLY 6 2HA GLY 6 234.319 23.095 -3.141
41 2HA GLY 6 1HA GLY 6 234.807 23.419 -1.482
42 H GLN 7 H GLN 7 233.022 21.259 -2.828
43 HA GLN 7 HA GLN 7 230.379 21.651 -1.633
44 1HB GLN 7 1HB GLN 7 230.479 20.662 -3.787
45 2HB GLN 7 2HB GLN 7 231.558 19.375 -3.241
46 1HG GLN 7 2HG GLN 7 229.813 18.384 -1.852
47 2HG GLN 7 1HG GLN 7 228.749 19.771 -2.095
48 1HE2 GLN 7 2HE2 GLN 7 227.302 17.269 -4.269
49 2HE2 GLN 7 1HE2 GLN 7 227.295 17.779 -2.587
50 H CYS 8 H CYS 8 229.991 21.316 0.488
51 HA CYS 8 HA CYS 8 231.002 18.825 1.821
52 1HB CYS 8 1HB CYS 8 230.108 21.233 3.375
53 2HB CYS 8 2HB CYS 8 231.219 19.949 3.834
54 H GLY 9 H GLY 9 228.971 18.256 0.304
55 1HA GLY 9 1HA GLY 9 226.657 17.831 2.044
56 2HA GLY 9 2HA GLY 9 226.352 18.981 0.736
57 H GLY 10 H GLY 10 224.858 16.752 0.930
58 1HA GLY 10 1HA GLY 10 225.828 14.272 0.254
59 2HA GLY 10 2HA GLY 10 224.148 14.747 0.105
60 H ILE 11 H ILE 11 223.790 16.125 -2.138
61 HA ILE 11 HA ILE 11 223.739 13.893 -3.849
62 HB ILE 11 HB ILE 11 223.032 16.739 -4.565
63 1HG1 ILE 11 1HG1 ILE 11 221.376 14.350 -3.622
64 2HG1 ILE 11 2HG1 ILE 11 221.760 15.786 -2.666
65 1HG2 ILE 11 2HG2 ILE 11 223.477 15.339 -6.607
66 2HG2 ILE 11 3HG2 ILE 11 222.320 14.142 -6.001
67 3HG2 ILE 11 1HG2 ILE 11 221.789 15.779 -6.439
68 1HD1 ILE 11 2HD1 ILE 11 220.557 17.182 -4.404
69 2HD1 ILE 11 3HD1 ILE 11 219.967 15.661 -5.119
70 3HD1 ILE 11 1HD1 ILE 11 219.538 16.079 -3.455
71 H GLY 12 H GLY 12 225.171 12.967 -5.024
72 1HA GLY 12 1HA GLY 12 226.756 12.690 -6.753
73 2HA GLY 12 2HA GLY 12 227.224 14.379 -6.649
74 H TYR 13 H TYR 13 227.344 13.535 -3.470
75 HA TYR 13 HA TYR 13 230.281 13.549 -3.828
76 1HB TYR 13 1HB TYR 13 228.714 15.477 -2.987
77 2HB TYR 13 2HB TYR 13 228.855 14.676 -1.445
78 HD1 TYR 13 HD1 TYR 13 230.725 16.193 -4.295
79 HD2 TYR 13 HD2 TYR 13 230.996 14.882 -0.185
80 HE1 TYR 13 HE1 TYR 13 232.974 17.226 -4.115
81 HE2 TYR 13 HE2 TYR 13 233.234 15.981 -0.003
82 HH TYR 13 HH TYR 13 234.685 17.734 -2.736
83 H SER 14 H SER 14 230.368 11.150 -3.759
84 HA SER 14 HA SER 14 230.971 10.065 -1.054
85 1HB SER 14 2HB SER 14 232.102 8.283 -2.387
86 2HB SER 14 1HB SER 14 230.416 8.519 -2.868
87 HG SER 14 HG SER 14 232.037 8.442 -4.631
88 H GLY 15 H GLY 15 232.085 12.762 -1.741
89 1HA GLY 15 1HA GLY 15 234.898 12.274 -2.516
90 2HA GLY 15 2HA GLY 15 234.019 13.791 -2.597
91 HA PRO 16 HA PRO 16 236.531 13.813 1.390
92 1HB PRO 16 1HB PRO 16 239.058 14.465 0.747
93 2HB PRO 16 2HB PRO 16 238.461 12.798 0.561
94 1HG PRO 16 2HG PRO 16 238.663 14.909 -1.620
95 2HG PRO 16 1HG PRO 16 239.268 13.235 -1.664
96 1HD PRO 16 1HD PRO 16 236.808 14.004 -2.683
97 2HD PRO 16 2HD PRO 16 237.116 12.375 -2.012
98 H THR 17 H THR 17 235.955 15.705 2.401
99 HA THR 17 HA THR 17 235.626 18.240 1.024
100 HB THR 17 HB THR 17 235.017 19.066 3.305
101 HG1 THR 17 HG1 THR 17 234.878 17.485 4.939
102 1HG2 THR 17 2HG2 THR 17 233.365 17.955 1.731
103 2HG2 THR 17 3HG2 THR 17 233.636 16.437 2.605
104 3HG2 THR 17 1HG2 THR 17 232.949 17.836 3.453
105 H VAL 18 H VAL 18 238.022 18.031 0.343
106 HA VAL 18 HA VAL 18 240.080 18.821 2.215
107 HB VAL 18 HB VAL 18 240.230 18.838 -0.820
108 1HG1 VAL 18 1HG2 VAL 18 242.369 18.521 1.345
109 2HG1 VAL 18 2HG2 VAL 18 242.640 18.213 -0.378
110 3HG1 VAL 18 3HG2 VAL 18 242.241 19.830 0.149
111 1HG2 VAL 18 1HG1 VAL 18 240.709 16.531 1.124
112 2HG2 VAL 18 2HG1 VAL 18 239.449 16.623 -0.117
113 3HG2 VAL 18 3HG1 VAL 18 241.122 16.517 -0.604
114 H CYS 19 H CYS 19 238.414 20.720 2.802
115 HA CYS 19 HA CYS 19 238.909 23.253 1.336
116 1HB CYS 19 1HB CYS 19 236.608 22.565 1.641
117 2HB CYS 19 2HB CYS 19 236.841 22.386 3.382
118 H ALA 20 H ALA 20 239.331 25.254 2.462
119 HA ALA 20 HA ALA 20 241.023 25.066 4.899
120 1HB ALA 20 2HB ALA 20 241.967 26.128 2.913
121 2HB ALA 20 3HB ALA 20 240.648 27.316 2.900
122 3HB ALA 20 1HB ALA 20 241.797 27.276 4.251
123 H SER 21 H SER 21 239.795 25.095 6.693
124 HA SER 21 HA SER 21 237.518 26.511 7.437
125 1HB SER 21 1HB SER 21 238.584 24.848 8.858
126 2HB SER 21 2HB SER 21 239.989 25.906 9.114
127 HG SER 21 HG SER 21 238.567 27.378 10.182
128 H GLY 22 H GLY 22 237.050 28.563 7.382
129 1HA GLY 22 1HA GLY 22 238.000 31.008 8.109
130 2HA GLY 22 2HA GLY 22 239.070 30.615 6.749
131 H THR 23 H THR 23 237.689 29.342 5.003
132 HA THR 23 HA THR 23 234.987 30.473 4.473
133 HB THR 23 HB THR 23 234.860 28.928 2.616
134 HG1 THR 23 HG1 THR 23 237.314 27.941 3.658
135 1HG2 THR 23 2HG2 THR 23 236.131 31.089 2.317
136 2HG2 THR 23 3HG2 THR 23 237.635 30.166 2.522
137 3HG2 THR 23 1HG2 THR 23 236.538 29.801 1.175
138 H THR 24 H THR 24 233.188 28.938 4.537
139 HA THR 24 HA THR 24 233.283 27.468 7.091
140 HB THR 24 HB THR 24 230.870 27.711 7.109
141 HG1 THR 24 HG1 THR 24 231.169 29.157 4.688
142 1HG2 THR 24 1HG2 THR 24 232.297 30.319 6.383
143 2HG2 THR 24 2HG2 THR 24 230.744 30.171 7.216
144 3HG2 THR 24 3HG2 THR 24 232.224 29.577 7.992
145 H CYS 25 H CYS 25 231.000 26.717 4.631
146 HA CYS 25 HA CYS 25 230.757 24.424 3.540
147 1HB CYS 25 1HB CYS 25 231.426 23.536 6.369
148 2HB CYS 25 2HB CYS 25 230.530 22.547 5.252
149 H GLN 26 H GLN 26 229.024 26.312 3.632
150 HA GLN 26 HA GLN 26 226.838 25.749 5.597
151 1HB GLN 26 1HB GLN 26 228.185 27.745 5.883
152 2HB GLN 26 2HB GLN 26 227.702 28.343 4.284
153 1HG GLN 26 1HG GLN 26 225.384 28.599 5.038
154 2HG GLN 26 2HG GLN 26 225.720 27.690 6.521
155 1HE2 GLN 26 2HE2 GLN 26 227.733 31.113 6.958
156 2HE2 GLN 26 1HE2 GLN 26 228.321 29.870 5.849
157 H VAL 27 H VAL 27 224.719 25.711 5.041
158 HA VAL 27 HA VAL 27 223.898 24.492 2.737
159 HB VAL 27 HB VAL 27 222.203 26.112 4.636
160 1HG1 VAL 27 1HG2 VAL 27 221.399 23.990 2.592
161 2HG1 VAL 27 2HG2 VAL 27 220.350 24.621 3.877
162 3HG1 VAL 27 3HG2 VAL 27 220.898 25.691 2.592
163 1HG2 VAL 27 1HG1 VAL 27 223.526 24.254 5.711
164 2HG2 VAL 27 2HG1 VAL 27 221.796 23.914 5.700
165 3HG2 VAL 27 3HG1 VAL 27 222.859 23.127 4.521
166 H LEU 28 H LEU 28 224.383 25.260 0.710
167 HA LEU 28 HA LEU 28 223.057 27.807 -0.210
168 1HB LEU 28 1HB LEU 28 225.264 26.131 -1.468
169 2HB LEU 28 2HB LEU 28 224.468 27.513 -2.233
170 HG LEU 28 HG LEU 28 226.310 27.549 0.168
171 1HD1 LEU 28 2HD1 LEU 28 227.151 27.405 -2.243
172 2HD1 LEU 28 3HD1 LEU 28 226.434 28.994 -2.526
173 3HD1 LEU 28 1HD1 LEU 28 227.731 28.800 -1.328
174 1HD2 LEU 28 2HD2 LEU 28 224.622 29.827 -0.983
175 2HD2 LEU 28 3HD2 LEU 28 224.569 29.201 0.682
176 3HD2 LEU 28 1HD2 LEU 28 226.002 30.051 0.111
177 H ASN 29 H ASN 29 223.453 24.368 -1.180
178 HA ASN 29 HA ASN 29 220.990 24.524 -2.804
179 1HB ASN 29 1HB ASN 29 222.212 24.115 -4.931
180 2HB ASN 29 2HB ASN 29 222.677 25.628 -4.198
181 1HD2 ASN 29 1HD2 ASN 29 226.092 24.645 -4.132
182 2HD2 ASN 29 2HD2 ASN 29 224.933 25.963 -4.028
183 HA PRO 30 HA PRO 30 220.288 20.314 -2.217
184 1HB PRO 30 2HB PRO 30 220.447 19.728 -5.189
185 2HB PRO 30 1HB PRO 30 219.197 19.235 -4.011
186 1HG PRO 30 1HG PRO 30 218.725 21.338 -5.633
187 2HG PRO 30 2HG PRO 30 218.327 21.482 -3.898
188 1HD PRO 30 2HD PRO 30 220.792 22.475 -5.336
189 2HD PRO 30 1HD PRO 30 219.739 23.352 -4.187
190 H TYR 31 H TYR 31 223.010 20.745 -4.458
191 HA TYR 31 HA TYR 31 224.373 18.252 -3.822
192 1HB TYR 31 2HB TYR 31 225.656 20.734 -4.985
193 2HB TYR 31 1HB TYR 31 226.099 19.060 -5.218
194 HD1 TYR 31 HD2 TYR 31 224.376 17.530 -6.477
195 HD2 TYR 31 HD1 TYR 31 224.275 21.842 -6.565
196 HE1 TYR 31 HE2 TYR 31 222.698 17.465 -8.332
197 HE2 TYR 31 HE1 TYR 31 222.658 21.766 -8.448
198 HH TYR 31 HH TYR 31 221.570 20.446 -9.907
199 H ALA 32 H ALA 32 224.896 21.647 -2.917
200 HA ALA 32 HA ALA 32 226.876 20.807 -0.844
201 1HB ALA 32 2HB ALA 32 227.771 21.824 -2.928
202 2HB ALA 32 3HB ALA 32 226.918 23.320 -2.511
203 3HB ALA 32 1HB ALA 32 228.184 22.682 -1.437
204 H SER 33 H SER 33 226.196 21.079 1.085
205 HA SER 33 HA SER 33 225.804 23.873 1.970
206 1HB SER 33 1HB SER 33 225.093 21.983 3.492
207 2HB SER 33 2HB SER 33 226.787 21.481 3.607
208 HG SER 33 HG SER 33 227.158 23.235 4.866
209 H GLN 34 H GLN 34 227.561 25.197 1.685
210 HA GLN 34 HA GLN 34 229.895 23.918 0.330
211 1HB GLN 34 2HB GLN 34 227.874 24.938 -0.953
212 2HB GLN 34 1HB GLN 34 228.548 26.500 -0.495
213 1HG GLN 34 1HG GLN 34 230.664 25.916 -1.709
214 2HG GLN 34 2HG GLN 34 230.030 24.305 -2.042
215 1HE2 GLN 34 2HE2 GLN 34 228.967 27.270 -4.517
216 2HE2 GLN 34 1HE2 GLN 34 230.043 27.607 -3.158
217 H CYS 35 H CYS 35 231.933 24.797 0.461
218 HA CYS 35 HA CYS 35 232.599 26.722 2.545
219 1HB CYS 35 2HB CYS 35 234.206 25.383 0.350
220 2HB CYS 35 1HB CYS 35 234.865 26.625 1.416
221 H LEU 36 H LEU 36 231.166 28.428 2.026
222 HA LEU 36 HA LEU 36 232.654 30.507 0.482
223 1HB LEU 36 1HB LEU 36 230.063 31.015 1.942
224 2HB LEU 36 2HB LEU 36 230.913 32.036 0.786
225 HG LEU 36 HG LEU 36 229.350 29.490 0.213
226 1HD1 LEU 36 3HD2 LEU 36 227.997 31.514 0.669
227 2HD1 LEU 36 1HD2 LEU 36 228.909 32.421 -0.551
228 3HD1 LEU 36 2HD2 LEU 36 227.869 31.079 -1.042
229 1HD2 LEU 36 2HD1 LEU 36 231.274 29.614 -1.371
230 2HD2 LEU 36 3HD1 LEU 36 229.736 29.901 -2.183
231 3HD2 LEU 36 1HD1 LEU 36 230.793 31.266 -1.809
No H/Q in entry = 231
Start of MODEL 7
1 1H THR 1 2H THR 1 243.927 21.201 -0.463
2 2H THR 1 3H THR 1 244.261 22.777 -0.141
3 3H THR 1 1H THR 1 244.617 21.632 0.992
4 HA THR 1 HA THR 1 242.293 21.306 1.418
5 HB THR 1 HB THR 1 241.596 23.745 1.967
6 HG1 THR 1 HG1 THR 1 243.172 25.296 1.455
7 1HG2 THR 1 3HG2 THR 1 244.455 22.996 2.787
8 2HG2 THR 1 1HG2 THR 1 243.393 24.172 3.576
9 3HG2 THR 1 2HG2 THR 1 242.962 22.459 3.595
10 H GLN 2 H GLN 2 239.980 22.111 0.971
11 HA GLN 2 HA GLN 2 239.419 22.355 -1.916
12 1HB GLN 2 2HB GLN 2 238.147 20.839 -0.488
13 2HB GLN 2 1HB GLN 2 237.559 22.185 0.487
14 1HG GLN 2 1HG GLN 2 236.375 23.126 -1.450
15 2HG GLN 2 2HG GLN 2 237.026 21.853 -2.496
16 1HE2 GLN 2 2HE2 GLN 2 233.648 20.986 -0.694
17 2HE2 GLN 2 1HE2 GLN 2 234.216 22.661 -0.794
18 H SER 3 H SER 3 239.374 24.318 -2.883
19 HA SER 3 HA SER 3 239.844 26.775 -1.477
20 1HB SER 3 1HB SER 3 240.638 26.357 -3.763
21 2HB SER 3 2HB SER 3 238.972 26.298 -4.372
22 HG SER 3 HG SER 3 238.794 28.476 -4.039
23 H HIS 4 H HIS 4 238.595 28.787 -1.894
24 HA HIS 4 HA HIS 4 235.994 28.841 -0.832
25 1HB HIS 4 1HB HIS 4 237.689 30.783 -1.189
26 2HB HIS 4 2HB HIS 4 237.082 30.871 -2.840
27 HD2 HIS 4 HD2 HIS 4 234.510 30.267 0.019
28 HE1 HIS 4 HE1 HIS 4 234.433 34.395 -0.822
29 HE2 HIS 4 HE2 HIS 4 233.356 32.519 0.561
30 H TYR 5 H TYR 5 233.989 28.518 -1.698
31 HA TYR 5 HA TYR 5 232.314 27.979 -3.093
32 1HB TYR 5 1HB TYR 5 233.932 28.792 -5.511
33 2HB TYR 5 2HB TYR 5 232.201 28.580 -5.401
34 HD1 TYR 5 HD2 TYR 5 230.827 30.190 -3.921
35 HD2 TYR 5 HD1 TYR 5 234.917 30.937 -5.088
36 HE1 TYR 5 HE2 TYR 5 230.619 32.565 -3.176
37 HE2 TYR 5 HE1 TYR 5 234.680 33.304 -4.387
38 HH TYR 5 HH TYR 5 233.398 34.780 -3.298
39 H GLY 6 H GLY 6 232.782 25.838 -2.291
40 1HA GLY 6 2HA GLY 6 233.323 23.845 -4.432
41 2HA GLY 6 1HA GLY 6 234.393 23.810 -3.027
42 H GLN 7 H GLN 7 232.390 21.796 -4.074
43 HA GLN 7 HA GLN 7 230.058 21.819 -2.423
44 1HB GLN 7 1HB GLN 7 230.096 20.893 -4.620
45 2HB GLN 7 2HB GLN 7 231.268 19.647 -4.174
46 1HG GLN 7 2HG GLN 7 229.672 18.456 -2.840
47 2HG GLN 7 1HG GLN 7 228.576 19.841 -2.758
48 1HE2 GLN 7 2HE2 GLN 7 226.923 17.643 -5.108
49 2HE2 GLN 7 1HE2 GLN 7 227.237 17.659 -3.363
50 H CYS 8 H CYS 8 229.635 21.078 -0.423
51 HA CYS 8 HA CYS 8 231.165 18.784 0.699
52 1HB CYS 8 1HB CYS 8 230.225 20.891 2.620
53 2HB CYS 8 2HB CYS 8 231.572 19.772 2.721
54 H GLY 9 H GLY 9 229.080 18.027 -0.624
55 1HA GLY 9 1HA GLY 9 227.143 17.022 1.258
56 2HA GLY 9 2HA GLY 9 226.470 18.393 0.369
57 H GLY 10 H GLY 10 225.174 16.122 0.194
58 1HA GLY 10 1HA GLY 10 225.878 13.846 -0.967
59 2HA GLY 10 2HA GLY 10 224.256 14.486 -1.114
60 H ILE 11 H ILE 11 223.891 15.932 -3.146
61 HA ILE 11 HA ILE 11 224.124 14.031 -5.222
62 HB ILE 11 HB ILE 11 223.130 16.881 -5.403
63 1HG1 ILE 11 2HG1 ILE 11 221.810 14.184 -4.833
64 2HG1 ILE 11 1HG1 ILE 11 221.886 15.588 -3.762
65 1HG2 ILE 11 2HG2 ILE 11 223.719 15.960 -7.651
66 2HG2 ILE 11 3HG2 ILE 11 222.727 14.531 -7.306
67 3HG2 ILE 11 1HG2 ILE 11 221.989 16.142 -7.445
68 1HD1 ILE 11 1HD1 ILE 11 220.487 16.842 -5.511
69 2HD1 ILE 11 2HD1 ILE 11 220.214 15.267 -6.282
70 3HD1 ILE 11 3HD1 ILE 11 219.675 15.541 -4.623
71 H GLY 12 H GLY 12 226.111 13.498 -5.799
72 1HA GLY 12 2HA GLY 12 227.677 13.590 -7.616
73 2HA GLY 12 1HA GLY 12 227.712 15.346 -7.535
74 H TYR 13 H TYR 13 227.943 13.767 -4.395
75 HA TYR 13 HA TYR 13 230.916 13.906 -4.468
76 1HB TYR 13 1HB TYR 13 229.330 16.007 -3.595
77 2HB TYR 13 2HB TYR 13 229.602 15.143 -2.095
78 HD1 TYR 13 HD2 TYR 13 231.447 16.297 -5.180
79 HD2 TYR 13 HD1 TYR 13 231.463 16.064 -0.863
80 HE1 TYR 13 HE2 TYR 13 233.660 17.439 -5.116
81 HE2 TYR 13 HE1 TYR 13 233.651 17.276 -0.830
82 HH TYR 13 HH TYR 13 235.151 18.487 -2.120
83 H SER 14 H SER 14 231.988 13.325 -2.530
84 HA SER 14 HA SER 14 230.779 11.120 -0.888
85 1HB SER 14 2HB SER 14 232.002 9.861 -2.454
86 2HB SER 14 1HB SER 14 233.332 11.014 -2.524
87 HG SER 14 HG SER 14 232.710 9.331 -0.314
88 H GLY 15 H GLY 15 233.934 12.768 -1.075
89 1HA GLY 15 2HA GLY 15 233.718 15.016 -0.040
90 2HA GLY 15 1HA GLY 15 233.210 14.256 1.441
91 HA PRO 16 HA PRO 16 238.039 14.492 1.477
92 1HB PRO 16 1HB PRO 16 238.594 16.033 -1.043
93 2HB PRO 16 2HB PRO 16 239.513 14.700 -0.311
94 1HG PRO 16 1HG PRO 16 238.006 14.353 -2.564
95 2HG PRO 16 2HG PRO 16 238.052 13.088 -1.303
96 1HD PRO 16 2HD PRO 16 235.947 15.263 -1.665
97 2HD PRO 16 1HD PRO 16 235.731 13.498 -1.499
98 H THR 17 H THR 17 236.122 15.943 2.628
99 HA THR 17 HA THR 17 235.723 18.633 1.708
100 HB THR 17 HB THR 17 234.281 18.854 3.756
101 HG1 THR 17 HG1 THR 17 234.832 16.119 4.223
102 1HG2 THR 17 2HG2 THR 17 233.373 17.890 1.650
103 2HG2 THR 17 3HG2 THR 17 233.803 16.275 2.244
104 3HG2 THR 17 1HG2 THR 17 232.615 17.241 3.119
105 H VAL 18 H VAL 18 238.529 18.293 2.484
106 HA VAL 18 HA VAL 18 238.965 19.796 4.950
107 HB VAL 18 HB VAL 18 241.015 19.139 2.803
108 1HG1 VAL 18 1HG2 VAL 18 241.750 20.752 4.587
109 2HG1 VAL 18 2HG2 VAL 18 241.258 19.587 5.822
110 3HG1 VAL 18 3HG2 VAL 18 242.586 19.200 4.714
111 1HG2 VAL 18 1HG1 VAL 18 240.043 17.409 5.119
112 2HG2 VAL 18 2HG1 VAL 18 239.971 17.011 3.390
113 3HG2 VAL 18 3HG1 VAL 18 241.534 17.118 4.200
114 H CYS 19 H CYS 19 237.440 21.506 4.117
115 HA CYS 19 HA CYS 19 238.095 23.440 2.149
116 1HB CYS 19 1HB CYS 19 235.870 23.065 3.030
117 2HB CYS 19 2HB CYS 19 236.379 23.595 4.640
118 H ALA 20 H ALA 20 238.610 25.716 2.421
119 HA ALA 20 HA ALA 20 241.155 26.082 3.736
120 1HB ALA 20 2HB ALA 20 240.629 26.952 1.506
121 2HB ALA 20 3HB ALA 20 239.399 28.016 2.191
122 3HB ALA 20 1HB ALA 20 241.093 28.265 2.604
123 H SER 21 H SER 21 239.897 25.517 5.864
124 HA SER 21 HA SER 21 238.659 26.474 7.779
125 1HB SER 21 1HB SER 21 240.596 25.111 8.223
126 2HB SER 21 2HB SER 21 241.686 26.486 7.979
127 HG SER 21 HG SER 21 240.693 27.495 9.784
128 H GLY 22 H GLY 22 237.709 28.427 7.022
129 1HA GLY 22 2HA GLY 22 238.099 30.969 8.162
130 2HA GLY 22 1HA GLY 22 239.202 30.881 6.771
131 H THR 23 H THR 23 238.017 29.556 4.897
132 HA THR 23 HA THR 23 235.113 30.209 4.609
133 HB THR 23 HB THR 23 235.164 29.060 2.498
134 HG1 THR 23 HG1 THR 23 237.132 28.210 1.732
135 1HG2 THR 23 3HG2 THR 23 237.657 30.819 2.657
136 2HG2 THR 23 1HG2 THR 23 236.796 30.366 1.183
137 3HG2 THR 23 2HG2 THR 23 235.999 31.391 2.387
138 H THR 24 H THR 24 233.686 28.325 4.466
139 HA THR 24 HA THR 24 234.319 26.571 6.799
140 HB THR 24 HB THR 24 231.982 26.807 7.389
141 HG1 THR 24 HG1 THR 24 231.789 28.575 5.174
142 1HG2 THR 24 3HG2 THR 24 233.370 29.459 6.738
143 2HG2 THR 24 1HG2 THR 24 231.999 29.271 7.836
144 3HG2 THR 24 2HG2 THR 24 233.549 28.494 8.210
145 H CYS 25 H CYS 25 231.585 26.193 4.697
146 HA CYS 25 HA CYS 25 231.164 24.138 3.294
147 1HB CYS 25 1HB CYS 25 232.311 22.696 5.696
148 2HB CYS 25 2HB CYS 25 231.178 21.956 4.604
149 H GLN 26 H GLN 26 229.451 25.819 3.810
150 HA GLN 26 HA GLN 26 227.439 24.864 5.826
151 1HB GLN 26 1HB GLN 26 228.851 26.834 6.326
152 2HB GLN 26 2HB GLN 26 228.072 27.707 4.995
153 1HG GLN 26 1HG GLN 26 225.883 27.513 6.133
154 2HG GLN 26 2HG GLN 26 226.589 26.460 7.369
155 1HE2 GLN 26 2HE2 GLN 26 228.389 29.865 8.184
156 2HE2 GLN 26 1HE2 GLN 26 228.982 28.751 6.951
157 H VAL 27 H VAL 27 225.236 25.056 5.466
158 HA VAL 27 HA VAL 27 224.261 24.110 3.084
159 HB VAL 27 HB VAL 27 222.735 25.513 5.270
160 1HG1 VAL 27 1HG2 VAL 27 221.719 23.630 3.088
161 2HG1 VAL 27 2HG2 VAL 27 220.796 24.178 4.500
162 3HG1 VAL 27 3HG2 VAL 27 221.292 25.342 3.277
163 1HG2 VAL 27 2HG1 VAL 27 224.081 23.508 6.027
164 2HG2 VAL 27 3HG1 VAL 27 222.343 23.230 6.119
165 3HG2 VAL 27 1HG1 VAL 27 223.276 22.540 4.780
166 H LEU 28 H LEU 28 224.263 25.003 1.083
167 HA LEU 28 HA LEU 28 222.898 27.673 0.712
168 1HB LEU 28 1HB LEU 28 225.038 26.322 -0.967
169 2HB LEU 28 2HB LEU 28 224.045 27.663 -1.540
170 HG LEU 28 HG LEU 28 226.063 27.793 0.720
171 1HD1 LEU 28 2HD1 LEU 28 226.875 27.763 -1.677
172 2HD1 LEU 28 3HD1 LEU 28 225.867 29.189 -1.999
173 3HD1 LEU 28 1HD1 LEU 28 227.206 29.282 -0.844
174 1HD2 LEU 28 2HD2 LEU 28 224.095 29.900 -0.311
175 2HD2 LEU 28 3HD2 LEU 28 224.241 29.304 1.361
176 3HD2 LEU 28 1HD2 LEU 28 225.531 30.277 0.661
177 H ASN 29 H ASN 29 223.119 24.374 -0.696
178 HA ASN 29 HA ASN 29 220.562 24.806 -2.154
179 1HB ASN 29 1HB ASN 29 221.731 24.540 -4.373
180 2HB ASN 29 2HB ASN 29 222.188 25.988 -3.504
181 1HD2 ASN 29 2HD2 ASN 29 225.543 25.022 -4.058
182 2HD2 ASN 29 1HD2 ASN 29 224.371 26.338 -3.987
183 HA PRO 30 HA PRO 30 220.183 20.401 -1.882
184 1HB PRO 30 1HB PRO 30 218.701 19.626 -4.031
185 2HB PRO 30 2HB PRO 30 218.072 20.747 -2.804
186 1HG PRO 30 2HG PRO 30 219.435 21.508 -5.414
187 2HG PRO 30 1HG PRO 30 217.799 21.984 -4.875
188 1HD PRO 30 2HD PRO 30 219.848 23.629 -4.426
189 2HD PRO 30 1HD PRO 30 218.700 23.343 -3.103
190 H TYR 31 H TYR 31 222.736 21.088 -2.748
191 HA TYR 31 HA TYR 31 223.639 18.562 -3.959
192 1HB TYR 31 2HB TYR 31 224.699 21.263 -4.947
193 2HB TYR 31 1HB TYR 31 225.264 19.677 -5.415
194 HD1 TYR 31 HD2 TYR 31 222.526 22.168 -5.769
195 HD2 TYR 31 HD1 TYR 31 224.110 18.386 -7.126
196 HE1 TYR 31 HE2 TYR 31 220.952 22.192 -7.695
197 HE2 TYR 31 HE1 TYR 31 222.499 18.407 -9.031
198 HH TYR 31 HH TYR 31 220.248 21.122 -9.536
199 H ALA 32 H ALA 32 224.633 21.729 -2.793
200 HA ALA 32 HA ALA 32 226.726 20.612 -1.004
201 1HB ALA 32 2HB ALA 32 227.469 21.919 -2.986
202 2HB ALA 32 3HB ALA 32 226.578 23.324 -2.373
203 3HB ALA 32 1HB ALA 32 227.935 22.660 -1.448
204 H SER 33 H SER 33 226.241 20.707 1.024
205 HA SER 33 HA SER 33 226.024 23.426 2.161
206 1HB SER 33 1HB SER 33 225.599 21.395 3.640
207 2HB SER 33 2HB SER 33 227.298 20.958 3.434
208 HG SER 33 HG SER 33 227.790 22.578 4.814
209 H GLN 34 H GLN 34 227.922 24.699 2.184
210 HA GLN 34 HA GLN 34 229.752 23.868 -0.027
211 1HB GLN 34 2HB GLN 34 227.370 25.068 -0.332
212 2HB GLN 34 1HB GLN 34 228.292 26.517 0.002
213 1HG GLN 34 2HG GLN 34 229.088 24.497 -2.179
214 2HG GLN 34 1HG GLN 34 227.863 25.727 -2.444
215 1HE2 GLN 34 2HE2 GLN 34 230.329 28.038 -3.359
216 2HE2 GLN 34 1HE2 GLN 34 228.683 27.463 -3.591
217 H CYS 35 H CYS 35 231.763 24.667 -0.086
218 HA CYS 35 HA CYS 35 232.976 25.818 2.287
219 1HB CYS 35 1HB CYS 35 234.007 24.086 0.945
220 2HB CYS 35 2HB CYS 35 234.075 25.163 -0.459
221 H LEU 36 H LEU 36 231.391 27.698 2.185
222 HA LEU 36 HA LEU 36 232.492 30.098 0.813
223 1HB LEU 36 1HB LEU 36 230.002 29.778 2.528
224 2HB LEU 36 2HB LEU 36 230.648 31.288 1.906
225 HG LEU 36 HG LEU 36 229.126 29.161 0.487
226 1HD1 LEU 36 1HD2 LEU 36 229.426 32.203 0.174
227 2HD1 LEU 36 2HD2 LEU 36 228.241 31.224 -0.691
228 3HD1 LEU 36 3HD2 LEU 36 228.140 31.375 1.075
229 1HD2 LEU 36 1HD1 LEU 36 231.208 30.801 -1.012
230 2HD2 LEU 36 2HD1 LEU 36 231.207 29.030 -0.826
231 3HD2 LEU 36 3HD1 LEU 36 229.917 29.813 -1.735
No H/Q in entry = 231
Start of MODEL 8
1 1H THR 1 2H THR 1 240.700 18.060 -1.352
2 2H THR 1 3H THR 1 241.508 17.743 0.056
3 3H THR 1 1H THR 1 239.865 17.798 0.052
4 HA THR 1 HA THR 1 240.517 19.778 0.995
5 HB THR 1 HB THR 1 242.652 20.165 -1.146
6 HG1 THR 1 HG1 THR 1 243.999 19.360 0.671
7 1HG2 THR 1 3HG2 THR 1 242.350 21.310 1.682
8 2HG2 THR 1 1HG2 THR 1 243.757 21.525 0.632
9 3HG2 THR 1 2HG2 THR 1 242.211 22.223 0.164
10 H GLN 2 H GLN 2 239.893 22.087 0.438
11 HA GLN 2 HA GLN 2 239.640 22.837 -2.338
12 1HB GLN 2 2HB GLN 2 237.271 21.730 -1.101
13 2HB GLN 2 1HB GLN 2 236.997 23.446 -1.277
14 1HG GLN 2 2HG GLN 2 237.750 21.536 -3.508
15 2HG GLN 2 1HG GLN 2 236.155 22.210 -3.204
16 1HE2 GLN 2 2HE2 GLN 2 237.184 25.479 -4.512
17 2HE2 GLN 2 1HE2 GLN 2 236.525 25.018 -2.957
18 H SER 3 H SER 3 238.885 25.083 -2.617
19 HA SER 3 HA SER 3 239.368 26.904 -0.280
20 1HB SER 3 1HB SER 3 241.027 27.098 -2.114
21 2HB SER 3 2HB SER 3 239.714 27.447 -3.257
22 HG SER 3 HG SER 3 240.694 29.383 -2.413
23 H HIS 4 H HIS 4 238.257 29.159 -1.433
24 HA HIS 4 HA HIS 4 235.723 29.042 -0.414
25 1HB HIS 4 1HB HIS 4 237.249 31.084 -0.983
26 2HB HIS 4 2HB HIS 4 236.422 31.110 -2.537
27 HD2 HIS 4 HD2 HIS 4 234.834 30.552 1.057
28 HE1 HIS 4 HE1 HIS 4 233.249 34.107 -0.541
29 HE2 HIS 4 HE2 HIS 4 233.214 32.494 1.497
30 H TYR 5 H TYR 5 233.619 29.153 -1.119
31 HA TYR 5 HA TYR 5 231.840 28.198 -2.038
32 1HB TYR 5 2HB TYR 5 233.026 28.839 -4.744
33 2HB TYR 5 1HB TYR 5 231.331 28.620 -4.352
34 HD1 TYR 5 HD1 TYR 5 230.794 30.252 -2.007
35 HD2 TYR 5 HD2 TYR 5 233.365 31.102 -5.378
36 HE1 TYR 5 HE1 TYR 5 230.452 32.684 -1.663
37 HE2 TYR 5 HE2 TYR 5 233.016 33.542 -5.006
38 HH TYR 5 HH TYR 5 231.095 34.775 -2.293
39 H GLY 6 H GLY 6 234.529 26.436 -2.024
40 1HA GLY 6 1HA GLY 6 234.166 24.279 -3.760
41 2HA GLY 6 2HA GLY 6 234.888 24.175 -2.152
42 H GLN 7 H GLN 7 233.278 22.191 -3.557
43 HA GLN 7 HA GLN 7 230.614 22.113 -2.342
44 1HB GLN 7 1HB GLN 7 231.030 21.587 -4.697
45 2HB GLN 7 2HB GLN 7 232.107 20.253 -4.241
46 1HG GLN 7 2HG GLN 7 230.131 19.151 -3.076
47 2HG GLN 7 1HG GLN 7 229.142 20.505 -3.655
48 1HE2 GLN 7 2HE2 GLN 7 228.478 17.856 -6.045
49 2HE2 GLN 7 1HE2 GLN 7 228.008 18.398 -4.424
50 H CYS 8 H CYS 8 230.419 21.361 -0.194
51 HA CYS 8 HA CYS 8 231.834 18.822 0.561
52 1HB CYS 8 1HB CYS 8 230.881 20.615 2.725
53 2HB CYS 8 2HB CYS 8 232.317 19.623 2.602
54 H GLY 9 H GLY 9 229.873 17.995 -0.765
55 1HA GLY 9 2HA GLY 9 228.692 16.049 0.145
56 2HA GLY 9 1HA GLY 9 227.802 17.091 1.236
57 H GLY 10 H GLY 10 225.704 17.178 0.631
58 1HA GLY 10 2HA GLY 10 223.763 17.132 -0.630
59 2HA GLY 10 1HA GLY 10 224.682 18.012 -1.851
60 H ILE 11 H ILE 11 223.515 16.926 -3.531
61 HA ILE 11 HA ILE 11 223.288 14.137 -3.942
62 HB ILE 11 HB ILE 11 223.376 16.455 -5.871
63 1HG1 ILE 11 2HG1 ILE 11 221.130 14.555 -5.029
64 2HG1 ILE 11 1HG1 ILE 11 221.428 16.128 -4.286
65 1HG2 ILE 11 3HG2 ILE 11 222.885 13.522 -6.582
66 2HG2 ILE 11 1HG2 ILE 11 222.568 14.900 -7.655
67 3HG2 ILE 11 2HG2 ILE 11 224.211 14.539 -7.185
68 1HD1 ILE 11 2HD1 ILE 11 221.016 17.250 -6.470
69 2HD1 ILE 11 3HD1 ILE 11 220.593 15.678 -7.184
70 3HD1 ILE 11 1HD1 ILE 11 219.626 16.332 -5.868
71 H GLY 12 H GLY 12 224.861 12.682 -3.802
72 1HA GLY 12 2HA GLY 12 226.398 11.288 -4.872
73 2HA GLY 12 1HA GLY 12 226.895 12.606 -5.923
74 H TYR 13 H TYR 13 227.641 14.444 -3.753
75 HA TYR 13 HA TYR 13 230.329 13.765 -4.142
76 1HB TYR 13 1HB TYR 13 229.121 16.036 -4.075
77 2HB TYR 13 2HB TYR 13 229.469 16.027 -2.356
78 HD1 TYR 13 HD1 TYR 13 231.807 16.238 -1.519
79 HD2 TYR 13 HD2 TYR 13 230.890 16.241 -5.748
80 HE1 TYR 13 HE1 TYR 13 234.086 17.012 -2.023
81 HE2 TYR 13 HE2 TYR 13 233.119 17.232 -6.220
82 HH TYR 13 HH TYR 13 235.001 18.050 -5.320
83 H SER 14 H SER 14 230.598 11.736 -2.965
84 HA SER 14 HA SER 14 231.226 11.753 -0.111
85 1HB SER 14 2HB SER 14 232.229 9.576 -0.540
86 2HB SER 14 1HB SER 14 230.676 9.710 -1.385
87 HG SER 14 HG SER 14 232.314 8.873 -2.758
88 H GLY 15 H GLY 15 232.761 13.660 -2.263
89 1HA GLY 15 1HA GLY 15 235.488 12.860 -2.133
90 2HA GLY 15 2HA GLY 15 234.899 14.423 -2.667
91 HA PRO 16 HA PRO 16 236.599 14.630 1.850
92 1HB PRO 16 1HB PRO 16 239.282 14.313 1.873
93 2HB PRO 16 2HB PRO 16 238.187 12.921 1.700
94 1HG PRO 16 2HG PRO 16 239.524 14.473 -0.556
95 2HG PRO 16 1HG PRO 16 239.633 12.718 -0.259
96 1HD PRO 16 1HD PRO 16 237.792 13.741 -1.988
97 2HD PRO 16 2HD PRO 16 237.367 12.377 -0.912
98 H THR 17 H THR 17 235.686 16.760 0.712
99 HA THR 17 HA THR 17 237.690 18.847 0.187
100 HB THR 17 HB THR 17 235.475 20.248 -0.036
101 HG1 THR 17 HG1 THR 17 233.743 18.806 -0.495
102 1HG2 THR 17 3HG2 THR 17 236.109 17.879 -1.847
103 2HG2 THR 17 1HG2 THR 17 235.139 19.305 -2.279
104 3HG2 THR 17 2HG2 THR 17 236.867 19.466 -1.941
105 H VAL 18 H VAL 18 238.193 18.003 2.715
106 HA VAL 18 HA VAL 18 237.457 19.838 4.775
107 HB VAL 18 HB VAL 18 240.144 18.575 4.092
108 1HG1 VAL 18 3HG2 VAL 18 239.246 19.918 6.685
109 2HG1 VAL 18 1HG2 VAL 18 240.752 19.009 6.454
110 3HG1 VAL 18 2HG2 VAL 18 240.505 20.527 5.588
111 1HG2 VAL 18 2HG1 VAL 18 238.338 16.915 4.624
112 2HG2 VAL 18 3HG1 VAL 18 239.569 16.976 5.891
113 3HG2 VAL 18 1HG1 VAL 18 238.011 17.783 6.136
114 H CYS 19 H CYS 19 237.283 22.001 4.443
115 HA CYS 19 HA CYS 19 238.691 23.177 2.209
116 1HB CYS 19 1HB CYS 19 236.114 23.201 3.044
117 2HB CYS 19 2HB CYS 19 236.613 24.783 3.637
118 H ALA 20 H ALA 20 238.828 25.732 2.322
119 HA ALA 20 HA ALA 20 241.235 26.370 3.759
120 1HB ALA 20 3HB ALA 20 239.309 28.059 2.111
121 2HB ALA 20 1HB ALA 20 240.866 28.624 2.736
122 3HB ALA 20 2HB ALA 20 240.813 27.285 1.582
123 H SER 21 H SER 21 240.274 25.707 5.875
124 HA SER 21 HA SER 21 238.438 26.704 7.471
125 1HB SER 21 1HB SER 21 240.154 25.102 8.167
126 2HB SER 21 2HB SER 21 241.311 26.439 8.401
127 HG SER 21 HG SER 21 240.198 25.916 10.381
128 H GLY 22 H GLY 22 237.609 28.634 7.655
129 1HA GLY 22 2HA GLY 22 238.159 31.098 8.633
130 2HA GLY 22 1HA GLY 22 239.209 31.080 7.204
131 H THR 23 H THR 23 238.022 29.900 5.300
132 HA THR 23 HA THR 23 235.151 30.601 4.933
133 HB THR 23 HB THR 23 235.232 29.380 2.896
134 HG1 THR 23 HG1 THR 23 237.789 28.548 3.748
135 1HG2 THR 23 2HG2 THR 23 236.278 31.638 2.765
136 2HG2 THR 23 3HG2 THR 23 237.872 30.941 3.116
137 3HG2 THR 23 1HG2 THR 23 237.043 30.500 1.623
138 H THR 24 H THR 24 233.676 28.682 4.616
139 HA THR 24 HA THR 24 234.139 26.616 6.748
140 HB THR 24 HB THR 24 231.793 26.780 7.240
141 HG1 THR 24 HG1 THR 24 231.750 28.832 5.273
142 1HG2 THR 24 2HG2 THR 24 233.425 28.335 8.309
143 2HG2 THR 24 3HG2 THR 24 233.067 29.559 7.080
144 3HG2 THR 24 1HG2 THR 24 231.790 29.027 8.188
145 H CYS 25 H CYS 25 231.289 26.184 5.054
146 HA CYS 25 HA CYS 25 231.331 24.182 3.238
147 1HB CYS 25 1HB CYS 25 232.557 23.040 5.748
148 2HB CYS 25 2HB CYS 25 231.497 22.033 4.783
149 H GLN 26 H GLN 26 229.350 25.701 3.756
150 HA GLN 26 HA GLN 26 227.324 24.392 5.532
151 1HB GLN 26 1HB GLN 26 228.473 26.301 6.505
152 2HB GLN 26 2HB GLN 26 227.888 27.332 5.188
153 1HG GLN 26 1HG GLN 26 225.570 27.050 5.903
154 2HG GLN 26 2HG GLN 26 226.011 25.739 7.008
155 1HE2 GLN 26 2HE2 GLN 26 227.454 29.208 8.468
156 2HE2 GLN 26 1HE2 GLN 26 228.044 28.656 6.898
157 H VAL 27 H VAL 27 225.154 24.534 5.054
158 HA VAL 27 HA VAL 27 224.421 23.853 2.521
159 HB VAL 27 HB VAL 27 222.108 23.968 3.207
160 1HG1 VAL 27 1HG2 VAL 27 223.539 22.058 3.847
161 2HG1 VAL 27 2HG2 VAL 27 223.913 22.858 5.392
162 3HG1 VAL 27 3HG2 VAL 27 222.255 22.369 5.021
163 1HG2 VAL 27 3HG1 VAL 27 223.119 25.358 5.732
164 2HG2 VAL 27 1HG1 VAL 27 221.985 26.020 4.535
165 3HG2 VAL 27 2HG1 VAL 27 221.508 24.649 5.528
166 H LEU 28 H LEU 28 223.902 24.674 0.631
167 HA LEU 28 HA LEU 28 221.905 26.762 0.629
168 1HB LEU 28 2HB LEU 28 222.802 28.243 -1.074
169 2HB LEU 28 1HB LEU 28 223.624 28.308 0.459
170 HG LEU 28 HG LEU 28 225.119 26.433 -1.140
171 1HD1 LEU 28 3HD2 LEU 28 224.029 27.466 -3.147
172 2HD1 LEU 28 1HD2 LEU 28 224.576 29.061 -2.608
173 3HD1 LEU 28 2HD2 LEU 28 225.763 27.832 -3.067
174 1HD2 LEU 28 1HD1 LEU 28 225.692 29.295 -0.295
175 2HD2 LEU 28 2HD1 LEU 28 226.046 27.815 0.626
176 3HD2 LEU 28 3HD1 LEU 28 226.896 28.148 -0.896
177 H ASN 29 H ASN 29 223.800 25.386 -2.112
178 HA ASN 29 HA ASN 29 221.254 24.678 -3.442
179 1HB ASN 29 1HB ASN 29 222.617 24.166 -5.386
180 2HB ASN 29 2HB ASN 29 223.028 25.748 -4.744
181 1HD2 ASN 29 2HD2 ASN 29 226.424 24.809 -4.291
182 2HD2 ASN 29 1HD2 ASN 29 225.253 26.100 -4.278
183 HA PRO 30 HA PRO 30 221.032 20.427 -2.162
184 1HB PRO 30 1HB PRO 30 220.220 19.055 -4.443
185 2HB PRO 30 2HB PRO 30 219.167 20.095 -3.454
186 1HG PRO 30 2HG PRO 30 220.719 20.884 -5.946
187 2HG PRO 30 1HG PRO 30 218.978 21.120 -5.628
188 1HD PRO 30 2HD PRO 30 220.660 23.144 -5.184
189 2HD PRO 30 1HD PRO 30 219.450 22.778 -3.929
190 H TYR 31 H TYR 31 223.450 21.278 -4.480
191 HA TYR 31 HA TYR 31 224.787 18.627 -4.368
192 1HB TYR 31 2HB TYR 31 225.608 21.151 -5.856
193 2HB TYR 31 1HB TYR 31 226.334 19.572 -5.964
194 HD1 TYR 31 HD2 TYR 31 223.362 21.604 -6.863
195 HD2 TYR 31 HD1 TYR 31 225.288 17.753 -7.208
196 HE1 TYR 31 HE2 TYR 31 221.645 20.883 -8.530
197 HE2 TYR 31 HE1 TYR 31 223.597 17.062 -8.896
198 HH TYR 31 HH TYR 31 221.762 17.664 -10.045
199 H ALA 32 H ALA 32 224.746 21.531 -2.509
200 HA ALA 32 HA ALA 32 227.443 20.923 -1.372
201 1HB ALA 32 2HB ALA 32 227.635 22.415 -3.376
202 2HB ALA 32 3HB ALA 32 226.687 23.621 -2.497
203 3HB ALA 32 1HB ALA 32 228.262 23.095 -1.871
204 H SER 33 H SER 33 227.112 20.660 0.713
205 HA SER 33 HA SER 33 226.342 23.066 2.267
206 1HB SER 33 1HB SER 33 226.211 20.733 3.317
207 2HB SER 33 2HB SER 33 227.984 20.758 3.343
208 HG SER 33 HG SER 33 227.887 22.332 4.860
209 H GLN 34 H GLN 34 227.535 24.714 1.453
210 HA GLN 34 HA GLN 34 229.978 24.054 -0.027
211 1HB GLN 34 1HB GLN 34 227.750 25.130 -0.911
212 2HB GLN 34 2HB GLN 34 228.365 26.606 -0.179
213 1HG GLN 34 2HG GLN 34 230.428 26.424 -1.570
214 2HG GLN 34 1HG GLN 34 229.854 24.907 -2.257
215 1HE2 GLN 34 2HE2 GLN 34 228.363 28.386 -3.698
216 2HE2 GLN 34 1HE2 GLN 34 229.358 28.423 -2.244
217 H CYS 35 H CYS 35 231.930 25.212 0.082
218 HA CYS 35 HA CYS 35 232.668 26.436 2.557
219 1HB CYS 35 2HB CYS 35 234.205 26.715 -0.022
220 2HB CYS 35 1HB CYS 35 234.803 26.808 1.624
221 H LEU 36 H LEU 36 230.894 28.068 2.709
222 HA LEU 36 HA LEU 36 231.354 30.686 1.437
223 1HB LEU 36 1HB LEU 36 229.746 29.893 3.894
224 2HB LEU 36 2HB LEU 36 229.724 31.475 3.120
225 HG LEU 36 HG LEU 36 228.790 28.877 1.804
226 1HD1 LEU 36 1HD2 LEU 36 227.229 31.229 2.943
227 2HD1 LEU 36 2HD2 LEU 36 226.537 29.848 2.069
228 3HD1 LEU 36 3HD2 LEU 36 227.315 29.596 3.639
229 1HD2 LEU 36 1HD1 LEU 36 228.818 31.780 0.854
230 2HD2 LEU 36 2HD1 LEU 36 229.574 30.373 0.072
231 3HD2 LEU 36 3HD1 LEU 36 227.815 30.518 0.112
No H/Q in entry = 231
Start of MODEL 9
1 1H THR 1 2H THR 1 243.830 24.899 -2.477
2 2H THR 1 3H THR 1 244.888 24.118 -1.480
3 3H THR 1 1H THR 1 244.157 23.297 -2.733
4 HA THR 1 HA THR 1 243.070 22.630 -0.776
5 HB THR 1 HB THR 1 242.843 25.556 0.058
6 HG1 THR 1 HG1 THR 1 244.656 24.869 1.436
7 1HG2 THR 1 3HG2 THR 1 242.686 22.959 1.687
8 2HG2 THR 1 1HG2 THR 1 242.631 24.595 2.342
9 3HG2 THR 1 2HG2 THR 1 241.318 24.033 1.311
10 H GLN 2 H GLN 2 240.732 22.398 -0.472
11 HA GLN 2 HA GLN 2 239.021 23.472 -2.575
12 1HB GLN 2 2HB GLN 2 238.948 21.166 -1.689
13 2HB GLN 2 1HB GLN 2 238.449 21.793 -0.113
14 1HG GLN 2 1HG GLN 2 236.376 22.648 -1.036
15 2HG GLN 2 2HG GLN 2 236.851 22.143 -2.672
16 1HE2 GLN 2 2HE2 GLN 2 234.921 19.267 -1.879
17 2HE2 GLN 2 1HE2 GLN 2 234.934 20.755 -2.827
18 H SER 3 H SER 3 239.647 25.741 -1.908
19 HA SER 3 HA SER 3 238.557 26.888 0.545
20 1HB SER 3 1HB SER 3 239.945 28.138 -1.856
21 2HB SER 3 2HB SER 3 239.549 29.004 -0.358
22 HG SER 3 HG SER 3 240.940 27.717 0.756
23 H HIS 4 H HIS 4 237.994 29.223 -1.853
24 HA HIS 4 HA HIS 4 235.289 29.480 -1.106
25 1HB HIS 4 1HB HIS 4 236.986 31.233 -1.968
26 2HB HIS 4 2HB HIS 4 236.557 30.698 -3.588
27 HD2 HIS 4 HD2 HIS 4 234.057 31.467 -0.588
28 HE1 HIS 4 HE1 HIS 4 233.490 34.340 -3.641
29 HE2 HIS 4 HE2 HIS 4 232.608 33.499 -1.403
30 H TYR 5 H TYR 5 233.559 28.412 -1.771
31 HA TYR 5 HA TYR 5 231.925 27.495 -3.015
32 1HB TYR 5 1HB TYR 5 233.634 27.654 -5.505
33 2HB TYR 5 2HB TYR 5 231.908 27.401 -5.419
34 HD1 TYR 5 HD2 TYR 5 230.601 29.363 -3.978
35 HD2 TYR 5 HD1 TYR 5 234.276 29.825 -6.207
36 HE1 TYR 5 HE2 TYR 5 230.124 31.790 -4.289
37 HE2 TYR 5 HE1 TYR 5 233.782 32.234 -6.506
38 HH TYR 5 HH TYR 5 232.381 33.923 -6.024
39 H GLY 6 H GLY 6 233.648 25.916 -1.523
40 1HA GLY 6 1HA GLY 6 234.177 23.403 -3.006
41 2HA GLY 6 2HA GLY 6 234.604 23.814 -1.356
42 H GLN 7 H GLN 7 232.687 21.687 -3.080
43 HA GLN 7 HA GLN 7 230.290 21.633 -1.571
44 1HB GLN 7 1HB GLN 7 230.453 20.735 -3.789
45 2HB GLN 7 2HB GLN 7 231.600 19.491 -3.277
46 1HG GLN 7 2HG GLN 7 229.896 18.342 -1.967
47 2HG GLN 7 1HG GLN 7 228.769 19.693 -2.153
48 1HE2 GLN 7 2HE2 GLN 7 227.401 17.420 -4.569
49 2HE2 GLN 7 1HE2 GLN 7 227.317 17.829 -2.851
50 H CYS 8 H CYS 8 230.133 21.302 0.636
51 HA CYS 8 HA CYS 8 231.193 18.728 1.728
52 1HB CYS 8 1HB CYS 8 230.075 20.835 3.560
53 2HB CYS 8 2HB CYS 8 231.336 19.649 3.830
54 H GLY 9 H GLY 9 229.150 18.291 0.048
55 1HA GLY 9 2HA GLY 9 226.831 17.629 1.761
56 2HA GLY 9 1HA GLY 9 226.537 18.859 0.539
57 H GLY 10 H GLY 10 225.130 16.542 0.761
58 1HA GLY 10 1HA GLY 10 225.943 14.146 -0.066
59 2HA GLY 10 2HA GLY 10 224.291 14.697 -0.294
60 H ILE 11 H ILE 11 224.074 16.083 -2.513
61 HA ILE 11 HA ILE 11 224.123 13.923 -4.352
62 HB ILE 11 HB ILE 11 223.423 16.801 -4.875
63 1HG1 ILE 11 2HG1 ILE 11 221.741 14.323 -4.249
64 2HG1 ILE 11 1HG1 ILE 11 222.054 15.659 -3.139
65 1HG2 ILE 11 2HG2 ILE 11 223.966 15.689 -7.012
66 2HG2 ILE 11 3HG2 ILE 11 222.845 14.372 -6.609
67 3HG2 ILE 11 1HG2 ILE 11 222.253 16.024 -6.876
68 1HD1 ILE 11 2HD1 ILE 11 220.872 17.211 -4.725
69 2HD1 ILE 11 3HD1 ILE 11 220.379 15.787 -5.672
70 3HD1 ILE 11 1HD1 ILE 11 219.858 15.957 -3.996
71 H GLY 12 H GLY 12 225.955 13.096 -4.979
72 1HA GLY 12 1HA GLY 12 227.535 13.022 -6.877
73 2HA GLY 12 2HA GLY 12 227.970 14.692 -6.544
74 H TYR 13 H TYR 13 227.971 13.974 -3.492
75 HA TYR 13 HA TYR 13 230.903 13.862 -3.817
76 1HB TYR 13 1HB TYR 13 229.427 15.857 -3.069
77 2HB TYR 13 2HB TYR 13 229.453 15.092 -1.495
78 HD1 TYR 13 HD2 TYR 13 231.536 16.447 -4.275
79 HD2 TYR 13 HD1 TYR 13 231.530 15.266 -0.115
80 HE1 TYR 13 HE2 TYR 13 233.825 17.387 -3.992
81 HE2 TYR 13 HE1 TYR 13 233.805 16.239 0.155
82 HH TYR 13 HH TYR 13 235.613 17.204 -0.929
83 H SER 14 H SER 14 230.496 11.293 -3.614
84 HA SER 14 HA SER 14 231.074 10.295 -0.902
85 1HB SER 14 1HB SER 14 231.797 8.265 -2.044
86 2HB SER 14 2HB SER 14 230.252 8.810 -2.715
87 HG SER 14 HG SER 14 232.825 9.301 -3.805
88 H GLY 15 H GLY 15 232.480 12.434 -0.704
89 1HA GLY 15 1HA GLY 15 235.288 12.047 -1.693
90 2HA GLY 15 2HA GLY 15 234.334 13.487 -2.040
91 HA PRO 16 HA PRO 16 236.632 13.995 2.078
92 1HB PRO 16 1HB PRO 16 239.140 14.771 1.465
93 2HB PRO 16 2HB PRO 16 238.654 13.065 1.327
94 1HG PRO 16 1HG PRO 16 238.728 15.119 -0.929
95 2HG PRO 16 2HG PRO 16 239.498 13.514 -0.900
96 1HD PRO 16 1HD PRO 16 237.022 13.947 -2.010
97 2HD PRO 16 2HD PRO 16 237.434 12.423 -1.166
98 H THR 17 H THR 17 236.105 15.948 3.072
99 HA THR 17 HA THR 17 235.781 18.426 1.527
100 HB THR 17 HB THR 17 235.067 19.391 3.665
101 HG1 THR 17 HG1 THR 17 236.403 18.176 5.033
102 1HG2 THR 17 2HG2 THR 17 233.414 18.154 2.289
103 2HG2 THR 17 3HG2 THR 17 233.776 16.664 3.188
104 3HG2 THR 17 1HG2 THR 17 233.077 18.055 4.030
105 H VAL 18 H VAL 18 238.148 18.382 0.857
106 HA VAL 18 HA VAL 18 240.216 18.905 2.875
107 HB VAL 18 HB VAL 18 240.520 19.088 -0.140
108 1HG1 VAL 18 3HG2 VAL 18 242.481 19.971 1.183
109 2HG1 VAL 18 1HG2 VAL 18 242.526 18.451 2.087
110 3HG1 VAL 18 2HG2 VAL 18 242.875 18.472 0.350
111 1HG2 VAL 18 1HG1 VAL 18 240.775 16.637 1.662
112 2HG2 VAL 18 2HG1 VAL 18 239.595 16.882 0.356
113 3HG2 VAL 18 3HG1 VAL 18 241.301 16.723 -0.033
114 H CYS 19 H CYS 19 238.722 20.777 3.557
115 HA CYS 19 HA CYS 19 238.869 23.217 1.925
116 1HB CYS 19 1HB CYS 19 236.743 22.262 2.310
117 2HB CYS 19 2HB CYS 19 236.990 22.170 4.051
118 H ALA 20 H ALA 20 239.032 25.335 2.742
119 HA ALA 20 HA ALA 20 241.333 25.557 4.571
120 1HB ALA 20 2HB ALA 20 241.364 26.608 2.364
121 2HB ALA 20 3HB ALA 20 239.970 27.620 2.810
122 3HB ALA 20 1HB ALA 20 241.518 27.811 3.651
123 H SER 21 H SER 21 239.620 24.864 6.310
124 HA SER 21 HA SER 21 237.842 26.007 7.805
125 1HB SER 21 1HB SER 21 239.310 24.269 8.654
126 2HB SER 21 2HB SER 21 240.614 25.438 8.921
127 HG SER 21 HG SER 21 239.274 26.484 10.456
128 H GLY 22 H GLY 22 237.293 28.094 7.435
129 1HA GLY 22 2HA GLY 22 238.093 30.548 8.489
130 2HA GLY 22 1HA GLY 22 239.317 30.173 7.267
131 H THR 23 H THR 23 238.185 29.107 5.246
132 HA THR 23 HA THR 23 235.524 30.211 4.488
133 HB THR 23 HB THR 23 235.536 28.689 2.643
134 HG1 THR 23 HG1 THR 23 236.893 27.091 2.438
135 1HG2 THR 23 2HG2 THR 23 236.746 30.832 2.320
136 2HG2 THR 23 3HG2 THR 23 238.265 30.049 2.808
137 3HG2 THR 23 1HG2 THR 23 237.426 29.528 1.328
138 H THR 24 H THR 24 233.692 28.794 4.439
139 HA THR 24 HA THR 24 233.598 27.223 6.939
140 HB THR 24 HB THR 24 231.288 27.814 7.061
141 HG1 THR 24 HG1 THR 24 231.618 29.159 4.580
142 1HG2 THR 24 2HG2 THR 24 232.892 29.576 7.773
143 2HG2 THR 24 3HG2 THR 24 232.855 30.266 6.142
144 3HG2 THR 24 1HG2 THR 24 231.382 30.249 7.118
145 H CYS 25 H CYS 25 230.865 26.640 5.154
146 HA CYS 25 HA CYS 25 230.843 24.309 3.782
147 1HB CYS 25 1HB CYS 25 231.398 23.539 6.643
148 2HB CYS 25 2HB CYS 25 230.419 22.513 5.614
149 H GLN 26 H GLN 26 229.084 26.329 3.815
150 HA GLN 26 HA GLN 26 226.679 25.494 5.413
151 1HB GLN 26 1HB GLN 26 227.939 27.463 6.195
152 2HB GLN 26 2HB GLN 26 227.561 28.297 4.680
153 1HG GLN 26 1HG GLN 26 225.207 28.392 5.227
154 2HG GLN 26 2HG GLN 26 225.377 27.163 6.490
155 1HE2 GLN 26 2HE2 GLN 26 227.073 30.638 7.694
156 2HE2 GLN 26 1HE2 GLN 26 227.627 29.957 6.162
157 H VAL 27 H VAL 27 224.599 25.822 4.627
158 HA VAL 27 HA VAL 27 224.153 24.878 2.063
159 HB VAL 27 HB VAL 27 221.774 25.252 2.486
160 1HG1 VAL 27 1HG2 VAL 27 222.968 23.299 3.465
161 2HG1 VAL 27 2HG2 VAL 27 223.241 24.230 4.956
162 3HG1 VAL 27 3HG2 VAL 27 221.595 23.830 4.449
163 1HG2 VAL 27 1HG1 VAL 27 222.675 26.732 5.007
164 2HG2 VAL 27 2HG1 VAL 27 221.823 27.453 3.630
165 3HG2 VAL 27 3HG1 VAL 27 221.013 26.249 4.629
166 H LEU 28 H LEU 28 223.711 25.555 0.111
167 HA LEU 28 HA LEU 28 222.216 27.983 -0.319
168 1HB LEU 28 2HB LEU 28 223.613 29.058 -2.006
169 2HB LEU 28 1HB LEU 28 224.262 29.103 -0.390
170 HG LEU 28 HG LEU 28 225.466 26.786 -1.520
171 1HD1 LEU 28 3HD2 LEU 28 224.731 27.592 -3.786
172 2HD1 LEU 28 1HD2 LEU 28 225.580 29.118 -3.496
173 3HD1 LEU 28 2HD2 LEU 28 226.495 27.607 -3.596
174 1HD2 LEU 28 3HD1 LEU 28 226.472 28.409 0.057
175 2HD2 LEU 28 1HD1 LEU 28 227.522 28.081 -1.323
176 3HD2 LEU 28 2HD1 LEU 28 226.596 29.590 -1.268
177 H ASN 29 H ASN 29 224.040 25.612 -2.343
178 HA ASN 29 HA ASN 29 221.556 25.166 -3.945
179 1HB ASN 29 1HB ASN 29 222.971 23.930 -5.524
180 2HB ASN 29 2HB ASN 29 223.494 25.594 -5.298
181 1HD2 ASN 29 2HD2 ASN 29 226.731 24.624 -4.226
182 2HD2 ASN 29 1HD2 ASN 29 225.654 25.919 -4.710
183 HA PRO 30 HA PRO 30 220.445 21.424 -1.820
184 1HB PRO 30 1HB PRO 30 219.592 19.759 -3.911
185 2HB PRO 30 2HB PRO 30 218.648 21.076 -3.174
186 1HG PRO 30 1HG PRO 30 220.370 21.197 -5.666
187 2HG PRO 30 2HG PRO 30 218.695 21.781 -5.458
188 1HD PRO 30 1HD PRO 30 220.722 23.514 -5.300
189 2HD PRO 30 2HD PRO 30 219.432 23.610 -4.071
190 H TYR 31 H TYR 31 222.883 21.157 -4.372
191 HA TYR 31 HA TYR 31 223.759 18.491 -3.683
192 1HB TYR 31 2HB TYR 31 225.594 20.517 -4.929
193 2HB TYR 31 1HB TYR 31 225.465 18.804 -5.253
194 HD1 TYR 31 HD1 TYR 31 222.465 18.629 -5.909
195 HD2 TYR 31 HD2 TYR 31 225.520 21.459 -7.064
196 HE1 TYR 31 HE1 TYR 31 221.135 19.260 -7.918
197 HE2 TYR 31 HE2 TYR 31 224.193 22.062 -9.075
198 HH TYR 31 HH TYR 31 222.414 21.509 -10.351
199 H ALA 32 H ALA 32 224.837 21.715 -2.774
200 HA ALA 32 HA ALA 32 226.886 20.623 -0.896
201 1HB ALA 32 2HB ALA 32 227.662 21.711 -3.014
202 2HB ALA 32 3HB ALA 32 226.951 23.223 -2.436
203 3HB ALA 32 1HB ALA 32 228.250 22.454 -1.515
204 H SER 33 H SER 33 226.191 20.800 1.132
205 HA SER 33 HA SER 33 225.834 23.527 2.239
206 1HB SER 33 1HB SER 33 225.121 21.475 3.543
207 2HB SER 33 2HB SER 33 226.836 21.091 3.753
208 HG SER 33 HG SER 33 227.016 22.939 5.017
209 H GLN 34 H GLN 34 227.552 24.870 1.905
210 HA GLN 34 HA GLN 34 229.904 23.650 0.561
211 1HB GLN 34 2HB GLN 34 227.927 24.588 -0.719
212 2HB GLN 34 1HB GLN 34 228.365 26.174 -0.110
213 1HG GLN 34 1HG GLN 34 230.610 25.959 -1.232
214 2HG GLN 34 2HG GLN 34 230.167 24.343 -1.784
215 1HE2 GLN 34 2HE2 GLN 34 228.843 27.510 -3.879
216 2HE2 GLN 34 1HE2 GLN 34 229.690 27.778 -2.352
217 H CYS 35 H CYS 35 231.929 24.390 0.904
218 HA CYS 35 HA CYS 35 232.710 26.416 2.756
219 1HB CYS 35 2HB CYS 35 234.279 25.323 0.396
220 2HB CYS 35 1HB CYS 35 234.904 26.256 1.740
221 H LEU 36 H LEU 36 231.173 28.105 2.171
222 HA LEU 36 HA LEU 36 232.390 30.118 0.342
223 1HB LEU 36 1HB LEU 36 230.367 30.447 2.591
224 2HB LEU 36 2HB LEU 36 230.927 31.703 1.482
225 HG LEU 36 HG LEU 36 229.269 29.241 0.761
226 1HD1 LEU 36 1HD2 LEU 36 228.657 32.233 0.875
227 2HD1 LEU 36 2HD2 LEU 36 227.567 31.014 0.202
228 3HD1 LEU 36 3HD2 LEU 36 227.992 30.962 1.919
229 1HD2 LEU 36 1HD1 LEU 36 230.416 31.430 -1.035
230 2HD2 LEU 36 2HD1 LEU 36 230.702 29.679 -1.149
231 3HD2 LEU 36 3HD1 LEU 36 229.105 30.339 -1.518
No H/Q in entry = 231
Start of MODEL 10
1 1H THR 1 2H THR 1 244.044 21.159 -0.604
2 2H THR 1 3H THR 1 244.272 22.776 -0.369
3 3H THR 1 1H THR 1 244.697 21.726 0.820
4 HA THR 1 HA THR 1 242.397 21.281 1.273
5 HB THR 1 HB THR 1 241.601 23.740 1.672
6 HG1 THR 1 HG1 THR 1 243.137 25.292 1.127
7 1HG2 THR 1 3HG2 THR 1 244.430 23.041 2.633
8 2HG2 THR 1 1HG2 THR 1 243.342 24.252 3.327
9 3HG2 THR 1 2HG2 THR 1 242.910 22.544 3.415
10 H GLN 2 H GLN 2 240.101 21.733 0.816
11 HA GLN 2 HA GLN 2 239.309 21.984 -1.985
12 1HB GLN 2 2HB GLN 2 238.190 20.458 -0.477
13 2HB GLN 2 1HB GLN 2 237.786 21.756 0.645
14 1HG GLN 2 1HG GLN 2 236.310 22.796 -0.999
15 2HG GLN 2 2HG GLN 2 236.779 21.612 -2.230
16 1HE2 GLN 2 2HE2 GLN 2 233.769 20.613 0.121
17 2HE2 GLN 2 1HE2 GLN 2 234.393 22.269 0.169
18 H SER 3 H SER 3 238.612 23.891 -2.970
19 HA SER 3 HA SER 3 239.398 26.367 -1.581
20 1HB SER 3 1HB SER 3 240.170 25.775 -3.887
21 2HB SER 3 2HB SER 3 238.512 26.045 -4.466
22 HG SER 3 HG SER 3 239.735 27.984 -4.638
23 H HIS 4 H HIS 4 238.168 28.409 -2.362
24 HA HIS 4 HA HIS 4 235.773 28.650 -0.908
25 1HB HIS 4 1HB HIS 4 237.345 30.510 -1.616
26 2HB HIS 4 2HB HIS 4 236.614 30.445 -3.220
27 HD2 HIS 4 HD2 HIS 4 234.564 30.367 0.178
28 HE1 HIS 4 HE1 HIS 4 233.811 34.042 -1.749
29 HE2 HIS 4 HE2 HIS 4 233.210 32.565 0.270
30 H TYR 5 H TYR 5 233.616 28.514 -1.405
31 HA TYR 5 HA TYR 5 231.708 27.808 -2.349
32 1HB TYR 5 1HB TYR 5 232.868 27.902 -5.135
33 2HB TYR 5 2HB TYR 5 231.188 27.968 -4.656
34 HD1 TYR 5 HD2 TYR 5 230.275 30.054 -3.497
35 HD2 TYR 5 HD1 TYR 5 234.171 29.910 -5.358
36 HE1 TYR 5 HE2 TYR 5 230.400 32.550 -3.468
37 HE2 TYR 5 HE1 TYR 5 234.288 32.382 -5.301
38 HH TYR 5 HH TYR 5 233.327 34.250 -4.551
39 H GLY 6 H GLY 6 234.451 25.883 -2.390
40 1HA GLY 6 1HA GLY 6 233.718 23.637 -3.925
41 2HA GLY 6 2HA GLY 6 234.784 23.619 -2.530
42 H GLN 7 H GLN 7 232.716 21.671 -3.472
43 HA GLN 7 HA GLN 7 230.380 21.866 -1.833
44 1HB GLN 7 1HB GLN 7 230.329 21.112 -4.067
45 2HB GLN 7 2HB GLN 7 231.493 19.821 -3.773
46 1HG GLN 7 2HG GLN 7 229.895 18.515 -2.536
47 2HG GLN 7 1HG GLN 7 228.710 19.837 -2.537
48 1HE2 GLN 7 2HE2 GLN 7 227.918 17.327 -5.268
49 2HE2 GLN 7 1HE2 GLN 7 228.195 17.145 -3.536
50 H CYS 8 H CYS 8 229.824 20.986 0.108
51 HA CYS 8 HA CYS 8 231.070 18.399 0.961
52 1HB CYS 8 1HB CYS 8 229.785 20.300 2.937
53 2HB CYS 8 2HB CYS 8 230.853 18.949 3.224
54 H GLY 9 H GLY 9 228.792 18.606 -0.810
55 1HA GLY 9 2HA GLY 9 226.655 17.332 0.876
56 2HA GLY 9 1HA GLY 9 226.231 18.519 -0.329
57 H GLY 10 H GLY 10 225.013 16.240 -0.476
58 1HA GLY 10 1HA GLY 10 226.336 13.899 -1.168
59 2HA GLY 10 2HA GLY 10 224.608 14.175 -1.342
60 H ILE 11 H ILE 11 224.601 16.025 -3.507
61 HA ILE 11 HA ILE 11 224.364 14.106 -5.563
62 HB ILE 11 HB ILE 11 224.311 17.116 -5.651
63 1HG1 ILE 11 1HG1 ILE 11 222.485 16.010 -4.384
64 2HG1 ILE 11 2HG1 ILE 11 221.917 16.859 -5.815
65 1HG2 ILE 11 3HG2 ILE 11 223.734 15.204 -7.946
66 2HG2 ILE 11 1HG2 ILE 11 223.206 16.900 -7.887
67 3HG2 ILE 11 2HG2 ILE 11 224.923 16.516 -7.897
68 1HD1 ILE 11 2HD1 ILE 11 221.685 14.716 -7.042
69 2HD1 ILE 11 3HD1 ILE 11 222.197 13.832 -5.587
70 3HD1 ILE 11 1HD1 ILE 11 220.713 14.781 -5.572
71 H GLY 12 H GLY 12 225.887 12.998 -6.463
72 1HA GLY 12 1HA GLY 12 227.702 12.367 -7.710
73 2HA GLY 12 2HA GLY 12 227.892 14.041 -8.226
74 H TYR 13 H TYR 13 228.123 12.786 -4.871
75 HA TYR 13 HA TYR 13 231.021 13.526 -4.802
76 1HB TYR 13 1HB TYR 13 228.942 15.171 -4.026
77 2HB TYR 13 2HB TYR 13 229.261 14.355 -2.520
78 HD1 TYR 13 HD1 TYR 13 231.041 16.012 -5.403
79 HD2 TYR 13 HD2 TYR 13 230.892 15.462 -1.114
80 HE1 TYR 13 HE1 TYR 13 232.924 17.618 -5.122
81 HE2 TYR 13 HE2 TYR 13 232.774 17.075 -0.860
82 HH TYR 13 HH TYR 13 234.034 18.691 -1.943
83 H SER 14 H SER 14 231.880 13.320 -2.506
84 HA SER 14 HA SER 14 231.009 10.860 -1.080
85 1HB SER 14 1HB SER 14 233.230 9.916 -0.974
86 2HB SER 14 2HB SER 14 232.734 10.127 -2.659
87 HG SER 14 HG SER 14 234.836 10.921 -2.480
88 H GLY 15 H GLY 15 233.990 12.661 -0.562
89 1HA GLY 15 2HA GLY 15 233.005 14.763 1.038
90 2HA GLY 15 1HA GLY 15 233.281 13.437 2.165
91 HA PRO 16 HA PRO 16 237.742 14.892 1.078
92 1HB PRO 16 1HB PRO 16 238.340 16.283 -1.177
93 2HB PRO 16 2HB PRO 16 238.036 14.531 -1.234
94 1HG PRO 16 1HG PRO 16 235.998 16.743 -1.734
95 2HG PRO 16 2HG PRO 16 236.439 15.419 -2.851
96 1HD PRO 16 1HD PRO 16 234.313 15.137 -1.207
97 2HD PRO 16 2HD PRO 16 235.443 13.780 -1.453
98 H THR 17 H THR 17 235.873 16.206 2.609
99 HA THR 17 HA THR 17 235.306 18.927 1.925
100 HB THR 17 HB THR 17 234.243 19.025 4.168
101 HG1 THR 17 HG1 THR 17 235.071 16.344 4.529
102 1HG2 THR 17 2HG2 THR 17 233.027 17.947 2.280
103 2HG2 THR 17 3HG2 THR 17 233.637 16.368 2.811
104 3HG2 THR 17 1HG2 THR 17 232.588 17.307 3.877
105 H VAL 18 H VAL 18 238.263 18.485 2.272
106 HA VAL 18 HA VAL 18 239.038 19.810 4.765
107 HB VAL 18 HB VAL 18 240.841 19.156 2.407
108 1HG1 VAL 18 3HG2 VAL 18 241.805 20.595 4.271
109 2HG1 VAL 18 1HG2 VAL 18 241.395 19.311 5.413
110 3HG1 VAL 18 2HG2 VAL 18 242.584 19.018 4.131
111 1HG2 VAL 18 1HG1 VAL 18 239.978 17.326 4.687
112 2HG2 VAL 18 2HG1 VAL 18 239.682 17.070 2.955
113 3HG2 VAL 18 3HG1 VAL 18 241.330 17.010 3.579
114 H CYS 19 H CYS 19 237.539 21.685 4.070
115 HA CYS 19 HA CYS 19 238.134 23.536 2.083
116 1HB CYS 19 1HB CYS 19 236.030 23.461 3.293
117 2HB CYS 19 2HB CYS 19 236.834 23.980 4.774
118 H ALA 20 H ALA 20 239.026 25.671 2.068
119 HA ALA 20 HA ALA 20 241.512 26.199 3.494
120 1HB ALA 20 2HB ALA 20 241.096 27.034 1.225
121 2HB ALA 20 3HB ALA 20 239.733 28.007 1.819
122 3HB ALA 20 1HB ALA 20 241.384 28.370 2.356
123 H SER 21 H SER 21 240.518 25.691 5.607
124 HA SER 21 HA SER 21 238.644 26.783 7.083
125 1HB SER 21 1HB SER 21 240.336 25.168 7.907
126 2HB SER 21 2HB SER 21 241.455 26.513 8.191
127 HG SER 21 HG SER 21 238.836 26.371 9.337
128 H GLY 22 H GLY 22 237.842 28.701 7.251
129 1HA GLY 22 2HA GLY 22 238.455 31.206 8.114
130 2HA GLY 22 1HA GLY 22 239.408 31.107 6.624
131 H THR 23 H THR 23 238.024 29.752 4.870
132 HA THR 23 HA THR 23 235.148 30.565 4.775
133 HB THR 23 HB THR 23 235.050 29.422 2.638
134 HG1 THR 23 HG1 THR 23 237.000 28.692 1.709
135 1HG2 THR 23 1HG2 THR 23 237.460 31.299 2.773
136 2HG2 THR 23 2HG2 THR 23 236.572 30.869 1.309
137 3HG2 THR 23 3HG2 THR 23 235.764 31.784 2.598
138 H THR 24 H THR 24 233.614 28.755 4.555
139 HA THR 24 HA THR 24 234.173 26.791 6.736
140 HB THR 24 HB THR 24 231.900 27.081 7.421
141 HG1 THR 24 HG1 THR 24 231.631 28.857 5.221
142 1HG2 THR 24 2HG2 THR 24 233.509 28.819 8.172
143 2HG2 THR 24 3HG2 THR 24 233.082 29.819 6.769
144 3HG2 THR 24 1HG2 THR 24 231.859 29.455 7.993
145 H CYS 25 H CYS 25 231.154 26.184 5.434
146 HA CYS 25 HA CYS 25 231.367 24.023 3.679
147 1HB CYS 25 1HB CYS 25 233.075 23.022 5.228
148 2HB CYS 25 2HB CYS 25 231.878 23.046 6.511
149 H GLN 26 H GLN 26 229.392 25.717 3.984
150 HA GLN 26 HA GLN 26 227.318 24.729 5.900
151 1HB GLN 26 1HB GLN 26 228.825 26.648 6.461
152 2HB GLN 26 2HB GLN 26 228.085 27.558 5.130
153 1HG GLN 26 1HG GLN 26 225.892 27.470 6.286
154 2HG GLN 26 2HG GLN 26 226.581 26.418 7.539
155 1HE2 GLN 26 2HE2 GLN 26 228.487 29.833 8.132
156 2HE2 GLN 26 1HE2 GLN 26 229.016 28.716 6.876
157 H VAL 27 H VAL 27 225.145 24.994 5.485
158 HA VAL 27 HA VAL 27 224.167 24.292 3.045
159 HB VAL 27 HB VAL 27 221.921 24.752 3.931
160 1HG1 VAL 27 2HG2 VAL 27 223.119 22.673 4.515
161 2HG1 VAL 27 3HG2 VAL 27 223.777 23.452 5.972
162 3HG1 VAL 27 1HG2 VAL 27 222.033 23.212 5.802
163 1HG2 VAL 27 1HG1 VAL 27 223.394 26.045 6.281
164 2HG2 VAL 27 2HG1 VAL 27 222.244 26.836 5.192
165 3HG2 VAL 27 3HG1 VAL 27 221.685 25.574 6.282
166 H LEU 28 H LEU 28 223.747 25.131 1.131
167 HA LEU 28 HA LEU 28 221.952 27.377 1.038
168 1HB LEU 28 2HB LEU 28 223.075 28.594 -0.835
169 2HB LEU 28 1HB LEU 28 223.614 28.860 0.797
170 HG LEU 28 HG LEU 28 225.702 28.304 0.435
171 1HD1 LEU 28 3HD2 LEU 28 225.004 25.946 -1.347
172 2HD1 LEU 28 1HD2 LEU 28 226.595 26.611 -1.128
173 3HD1 LEU 28 2HD2 LEU 28 225.728 25.980 0.261
174 1HD2 LEU 28 2HD1 LEU 28 225.199 29.885 -1.380
175 2HD2 LEU 28 3HD1 LEU 28 226.499 28.788 -1.857
176 3HD2 LEU 28 1HD1 LEU 28 224.862 28.535 -2.487
177 H ASN 29 H ASN 29 223.410 26.487 -2.040
178 HA ASN 29 HA ASN 29 221.025 25.459 -3.118
179 1HB ASN 29 2HB ASN 29 222.384 24.589 -4.957
180 2HB ASN 29 1HB ASN 29 222.923 26.195 -4.495
181 1HD2 ASN 29 2HD2 ASN 29 226.197 25.047 -3.756
182 2HD2 ASN 29 1HD2 ASN 29 225.121 26.421 -3.884
183 HA PRO 30 HA PRO 30 220.376 21.447 -1.362
184 1HB PRO 30 1HB PRO 30 219.287 19.996 -3.481
185 2HB PRO 30 2HB PRO 30 218.428 21.234 -2.534
186 1HG PRO 30 1HG PRO 30 219.883 21.609 -5.172
187 2HG PRO 30 2HG PRO 30 218.224 22.124 -4.753
188 1HD PRO 30 1HD PRO 30 220.220 23.890 -4.619
189 2HD PRO 30 2HD PRO 30 219.050 23.837 -3.271
190 H TYR 31 H TYR 31 222.429 21.536 -4.259
191 HA TYR 31 HA TYR 31 223.423 18.839 -4.040
192 1HB TYR 31 2HB TYR 31 224.893 21.183 -5.254
193 2HB TYR 31 1HB TYR 31 225.054 19.484 -5.650
194 HD1 TYR 31 HD2 TYR 31 221.841 19.077 -5.783
195 HD2 TYR 31 HD1 TYR 31 224.658 21.825 -7.574
196 HE1 TYR 31 HE2 TYR 31 220.351 19.336 -7.756
197 HE2 TYR 31 HE1 TYR 31 223.109 22.146 -9.490
198 HH TYR 31 HH TYR 31 221.103 21.634 -10.371
199 H ALA 32 H ALA 32 224.386 21.846 -2.479
200 HA ALA 32 HA ALA 32 226.677 20.518 -1.072
201 1HB ALA 32 2HB ALA 32 227.377 21.677 -3.139
202 2HB ALA 32 3HB ALA 32 226.757 23.194 -2.469
203 3HB ALA 32 1HB ALA 32 228.082 22.349 -1.655
204 H SER 33 H SER 33 226.199 20.614 1.071
205 HA SER 33 HA SER 33 226.029 23.285 2.346
206 1HB SER 33 1HB SER 33 225.565 21.138 3.628
207 2HB SER 33 2HB SER 33 227.295 20.769 3.524
208 HG SER 33 HG SER 33 227.664 22.430 4.927
209 H GLN 34 H GLN 34 227.732 24.708 2.115
210 HA GLN 34 HA GLN 34 229.948 23.737 0.368
211 1HB GLN 34 2HB GLN 34 227.809 24.766 -0.536
212 2HB GLN 34 1HB GLN 34 228.364 26.299 0.172
213 1HG GLN 34 1HG GLN 34 230.378 26.216 -1.260
214 2HG GLN 34 2HG GLN 34 229.909 24.617 -1.867
215 1HE2 GLN 34 2HE2 GLN 34 228.302 27.828 -3.653
216 2HE2 GLN 34 1HE2 GLN 34 229.465 28.048 -2.342
217 H CYS 35 H CYS 35 231.903 24.669 0.330
218 HA CYS 35 HA CYS 35 232.973 26.019 2.646
219 1HB CYS 35 1HB CYS 35 234.157 24.289 1.503
220 2HB CYS 35 2HB CYS 35 234.080 25.165 -0.025
221 H LEU 36 H LEU 36 231.324 27.804 2.418
222 HA LEU 36 HA LEU 36 232.223 30.165 0.858
223 1HB LEU 36 1HB LEU 36 229.952 29.817 2.850
224 2HB LEU 36 2HB LEU 36 230.306 31.280 1.929
225 HG LEU 36 HG LEU 36 229.459 28.606 0.736
226 1HD1 LEU 36 3HD2 LEU 36 227.666 29.821 1.962
227 2HD1 LEU 36 1HD2 LEU 36 228.002 31.281 1.000
228 3HD1 LEU 36 2HD2 LEU 36 227.381 29.820 0.210
229 1HD2 LEU 36 1HD1 LEU 36 230.039 31.307 -0.585
230 2HD2 LEU 36 2HD1 LEU 36 230.912 29.784 -0.866
231 3HD2 LEU 36 3HD1 LEU 36 229.225 29.946 -1.378
No H/Q in entry = 231
Start of MODEL 11
1 1H THR 1 1H THR 1 243.809 20.032 0.419
2 2H THR 1 2H THR 1 244.468 21.516 0.670
3 3H THR 1 3H THR 1 244.351 20.476 1.935
4 HA THR 1 HA THR 1 241.962 20.719 1.916
5 HB THR 1 HB THR 1 241.857 23.313 2.226
6 HG1 THR 1 HG1 THR 1 243.940 24.292 2.062
7 1HG2 THR 1 3HG2 THR 1 244.126 21.902 3.719
8 2HG2 THR 1 1HG2 THR 1 243.307 23.400 4.177
9 3HG2 THR 1 2HG2 THR 1 242.407 21.885 4.169
10 H GLN 2 H GLN 2 240.088 22.169 1.088
11 HA GLN 2 HA GLN 2 240.258 22.680 -1.869
12 1HB GLN 2 2HB GLN 2 238.636 21.023 -1.487
13 2HB GLN 2 1HB GLN 2 237.988 21.828 -0.063
14 1HG GLN 2 1HG GLN 2 236.464 21.955 -2.003
15 2HG GLN 2 2HG GLN 2 236.907 23.531 -1.368
16 1HE2 GLN 2 2HE2 GLN 2 237.444 24.502 -4.700
17 2HE2 GLN 2 1HE2 GLN 2 236.662 24.852 -3.157
18 H SER 3 H SER 3 239.502 24.639 -2.702
19 HA SER 3 HA SER 3 239.557 26.965 -0.849
20 1HB SER 3 1HB SER 3 241.065 26.815 -2.853
21 2HB SER 3 2HB SER 3 239.637 26.926 -3.883
22 HG SER 3 HG SER 3 240.673 28.871 -2.077
23 H HIS 4 H HIS 4 238.187 28.828 -2.360
24 HA HIS 4 HA HIS 4 235.737 28.668 -1.007
25 1HB HIS 4 1HB HIS 4 237.092 30.725 -1.774
26 2HB HIS 4 2HB HIS 4 236.257 30.584 -3.321
27 HD2 HIS 4 HD2 HIS 4 234.855 30.401 0.411
28 HE1 HIS 4 HE1 HIS 4 232.830 33.474 -1.633
29 HE2 HIS 4 HE2 HIS 4 233.101 32.230 0.639
30 H TYR 5 H TYR 5 233.543 28.699 -1.660
31 HA TYR 5 HA TYR 5 231.723 27.771 -2.570
32 1HB TYR 5 2HB TYR 5 233.087 28.090 -5.246
33 2HB TYR 5 1HB TYR 5 231.364 27.914 -4.974
34 HD1 TYR 5 HD1 TYR 5 230.607 29.780 -2.890
35 HD2 TYR 5 HD2 TYR 5 233.499 30.262 -6.074
36 HE1 TYR 5 HE1 TYR 5 230.235 32.239 -2.879
37 HE2 TYR 5 HE2 TYR 5 233.109 32.711 -6.044
38 HH TYR 5 HH TYR 5 231.986 34.396 -5.105
39 H GLY 6 H GLY 6 234.386 25.897 -2.398
40 1HA GLY 6 1HA GLY 6 233.895 23.561 -3.862
41 2HA GLY 6 2HA GLY 6 234.618 23.616 -2.255
42 H GLN 7 H GLN 7 232.343 21.933 -3.798
43 HA GLN 7 HA GLN 7 230.083 21.965 -2.024
44 1HB GLN 7 1HB GLN 7 229.896 21.177 -4.270
45 2HB GLN 7 2HB GLN 7 231.158 19.964 -4.050
46 1HG GLN 7 2HG GLN 7 229.725 18.610 -2.622
47 2HG GLN 7 1HG GLN 7 228.479 19.869 -2.594
48 1HE2 GLN 7 2HE2 GLN 7 227.223 17.421 -5.014
49 2HE2 GLN 7 1HE2 GLN 7 227.381 17.636 -3.271
50 H CYS 8 H CYS 8 229.974 21.222 0.090
51 HA CYS 8 HA CYS 8 231.524 18.767 0.831
52 1HB CYS 8 1HB CYS 8 230.538 20.639 2.965
53 2HB CYS 8 2HB CYS 8 231.911 19.546 2.958
54 H GLY 9 H GLY 9 229.132 18.527 -0.573
55 1HA GLY 9 1HA GLY 9 227.182 17.449 1.409
56 2HA GLY 9 2HA GLY 9 226.652 18.722 0.313
57 H GLY 10 H GLY 10 225.451 16.245 0.489
58 1HA GLY 10 1HA GLY 10 226.459 14.002 -0.572
59 2HA GLY 10 2HA GLY 10 224.737 14.347 -0.532
60 H ILE 11 H ILE 11 224.206 15.961 -2.678
61 HA ILE 11 HA ILE 11 223.940 13.878 -4.557
62 HB ILE 11 HB ILE 11 223.385 16.809 -4.922
63 1HG1 ILE 11 2HG1 ILE 11 221.677 14.369 -4.204
64 2HG1 ILE 11 1HG1 ILE 11 222.077 15.719 -3.137
65 1HG2 ILE 11 2HG2 ILE 11 223.693 15.772 -7.145
66 2HG2 ILE 11 3HG2 ILE 11 222.542 14.493 -6.705
67 3HG2 ILE 11 1HG2 ILE 11 222.018 16.184 -6.863
68 1HD1 ILE 11 2HD1 ILE 11 220.761 17.245 -4.631
69 2HD1 ILE 11 3HD1 ILE 11 220.247 15.821 -5.570
70 3HD1 ILE 11 1HD1 ILE 11 219.807 15.967 -3.870
71 H GLY 12 H GLY 12 225.494 12.918 -5.557
72 1HA GLY 12 1HA GLY 12 226.941 12.498 -7.334
73 2HA GLY 12 2HA GLY 12 227.120 14.223 -7.635
74 H TYR 13 H TYR 13 227.678 13.118 -4.340
75 HA TYR 13 HA TYR 13 230.584 13.686 -4.733
76 1HB TYR 13 1HB TYR 13 228.724 15.510 -4.105
77 2HB TYR 13 2HB TYR 13 228.980 14.880 -2.497
78 HD1 TYR 13 HD1 TYR 13 230.701 16.189 -5.547
79 HD2 TYR 13 HD2 TYR 13 230.927 15.708 -1.249
80 HE1 TYR 13 HE1 TYR 13 232.693 17.687 -5.472
81 HE2 TYR 13 HE2 TYR 13 232.949 17.162 -1.214
82 HH TYR 13 HH TYR 13 233.635 19.026 -2.459
83 H SER 14 H SER 14 231.853 12.147 -3.955
84 HA SER 14 HA SER 14 231.581 11.470 -1.034
85 1HB SER 14 1HB SER 14 232.649 9.368 -1.394
86 2HB SER 14 2HB SER 14 231.313 9.477 -2.547
87 HG SER 14 HG SER 14 234.081 9.968 -3.052
88 H GLY 15 H GLY 15 232.665 13.892 -1.811
89 1HA GLY 15 1HA GLY 15 235.575 13.711 -2.120
90 2HA GLY 15 2HA GLY 15 234.587 15.146 -2.150
91 HA PRO 16 HA PRO 16 236.086 14.522 2.410
92 1HB PRO 16 1HB PRO 16 238.755 14.097 2.651
93 2HB PRO 16 2HB PRO 16 237.631 12.765 2.298
94 1HG PRO 16 2HG PRO 16 239.263 14.372 0.296
95 2HG PRO 16 1HG PRO 16 239.206 12.596 0.467
96 1HD PRO 16 1HD PRO 16 237.662 13.922 -1.342
97 2HD PRO 16 2HD PRO 16 237.028 12.484 -0.482
98 H THR 17 H THR 17 235.392 16.798 1.319
99 HA THR 17 HA THR 17 237.582 18.701 0.967
100 HB THR 17 HB THR 17 235.754 20.395 0.711
101 HG1 THR 17 HG1 THR 17 234.052 19.536 1.773
102 1HG2 THR 17 2HG2 THR 17 236.790 19.112 -1.186
103 2HG2 THR 17 3HG2 THR 17 235.470 17.930 -1.042
104 3HG2 THR 17 1HG2 THR 17 235.125 19.635 -1.433
105 H VAL 18 H VAL 18 238.372 17.993 3.182
106 HA VAL 18 HA VAL 18 237.808 19.819 5.376
107 HB VAL 18 HB VAL 18 240.453 18.607 4.475
108 1HG1 VAL 18 1HG2 VAL 18 239.637 19.908 7.123
109 2HG1 VAL 18 2HG2 VAL 18 241.184 19.103 6.800
110 3HG1 VAL 18 3HG2 VAL 18 240.778 20.599 5.954
111 1HG2 VAL 18 1HG1 VAL 18 238.462 17.711 6.614
112 2HG2 VAL 18 2HG1 VAL 18 238.794 16.860 5.094
113 3HG2 VAL 18 3HG1 VAL 18 240.056 16.991 6.321
114 H CYS 19 H CYS 19 237.191 21.732 4.401
115 HA CYS 19 HA CYS 19 238.609 22.920 2.267
116 1HB CYS 19 1HB CYS 19 236.030 23.025 3.210
117 2HB CYS 19 2HB CYS 19 236.588 24.641 3.629
118 H ALA 20 H ALA 20 238.918 25.461 2.231
119 HA ALA 20 HA ALA 20 241.303 26.005 3.712
120 1HB ALA 20 2HB ALA 20 240.956 26.826 1.454
121 2HB ALA 20 3HB ALA 20 239.574 27.811 1.984
122 3HB ALA 20 1HB ALA 20 241.207 28.186 2.557
123 H SER 21 H SER 21 240.179 25.555 5.850
124 HA SER 21 HA SER 21 238.535 26.810 7.428
125 1HB SER 21 1HB SER 21 240.220 25.182 8.199
126 2HB SER 21 2HB SER 21 241.425 26.482 8.293
127 HG SER 21 HG SER 21 238.936 26.496 9.713
128 H GLY 22 H GLY 22 237.813 28.781 7.210
129 1HA GLY 22 2HA GLY 22 238.551 31.342 7.884
130 2HA GLY 22 1HA GLY 22 239.524 31.020 6.437
131 H THR 23 H THR 23 238.146 29.639 4.811
132 HA THR 23 HA THR 23 235.304 30.499 4.488
133 HB THR 23 HB THR 23 235.188 29.141 2.566
134 HG1 THR 23 HG1 THR 23 236.777 27.727 1.950
135 1HG2 THR 23 3HG2 THR 23 237.929 30.489 2.473
136 2HG2 THR 23 1HG2 THR 23 236.993 29.946 1.076
137 3HG2 THR 23 2HG2 THR 23 236.360 31.244 2.116
138 H THR 24 H THR 24 233.845 28.528 4.250
139 HA THR 24 HA THR 24 234.218 26.644 6.559
140 HB THR 24 HB THR 24 231.946 27.102 7.169
141 HG1 THR 24 HG1 THR 24 231.882 28.841 4.910
142 1HG2 THR 24 2HG2 THR 24 233.674 28.766 7.922
143 2HG2 THR 24 3HG2 THR 24 233.261 29.777 6.519
144 3HG2 THR 24 1HG2 THR 24 232.044 29.456 7.760
145 H CYS 25 H CYS 25 231.230 26.207 5.253
146 HA CYS 25 HA CYS 25 231.211 24.124 3.443
147 1HB CYS 25 1HB CYS 25 232.390 23.142 6.037
148 2HB CYS 25 2HB CYS 25 231.278 22.092 5.181
149 H GLN 26 H GLN 26 229.244 25.812 3.927
150 HA GLN 26 HA GLN 26 227.089 24.383 5.415
151 1HB GLN 26 1HB GLN 26 226.563 26.202 6.844
152 2HB GLN 26 2HB GLN 26 228.212 25.655 7.049
153 1HG GLN 26 2HG GLN 26 228.514 27.941 7.114
154 2HG GLN 26 1HG GLN 26 228.877 27.619 5.421
155 1HE2 GLN 26 2HE2 GLN 26 226.728 30.478 5.143
156 2HE2 GLN 26 1HE2 GLN 26 228.428 30.045 5.370
157 H VAL 27 H VAL 27 224.933 25.731 5.345
158 HA VAL 27 HA VAL 27 224.342 24.647 2.804
159 HB VAL 27 HB VAL 27 222.006 24.729 3.489
160 1HG1 VAL 27 2HG2 VAL 27 223.510 22.912 4.276
161 2HG1 VAL 27 3HG2 VAL 27 223.832 23.836 5.760
162 3HG1 VAL 27 1HG2 VAL 27 222.198 23.260 5.409
163 1HG2 VAL 27 2HG1 VAL 27 221.914 26.891 4.684
164 2HG2 VAL 27 3HG1 VAL 27 221.364 25.582 5.726
165 3HG2 VAL 27 1HG1 VAL 27 222.984 26.266 5.947
166 H LEU 28 H LEU 28 223.524 25.262 0.952
167 HA LEU 28 HA LEU 28 221.715 27.491 0.791
168 1HB LEU 28 2HB LEU 28 222.740 28.726 -1.074
169 2HB LEU 28 1HB LEU 28 223.529 28.906 0.469
170 HG LEU 28 HG LEU 28 224.892 26.723 -0.833
171 1HD1 LEU 28 3HD2 LEU 28 223.906 27.573 -2.974
172 2HD1 LEU 28 1HD2 LEU 28 224.610 29.164 -2.649
173 3HD1 LEU 28 2HD2 LEU 28 225.665 27.769 -2.911
174 1HD2 LEU 28 2HD1 LEU 28 225.832 28.306 0.795
175 2HD2 LEU 28 3HD1 LEU 28 226.813 28.215 -0.668
176 3HD2 LEU 28 1HD1 LEU 28 225.746 29.605 -0.421
177 H ASN 29 H ASN 29 223.532 25.581 -1.697
178 HA ASN 29 HA ASN 29 220.928 25.023 -3.023
179 1HB ASN 29 1HB ASN 29 222.163 24.273 -4.940
180 2HB ASN 29 2HB ASN 29 222.714 25.867 -4.452
181 1HD2 ASN 29 2HD2 ASN 29 226.049 24.701 -4.124
182 2HD2 ASN 29 1HD2 ASN 29 224.977 26.092 -4.070
183 HA PRO 30 HA PRO 30 220.359 21.041 -1.278
184 1HB PRO 30 1HB PRO 30 219.386 19.508 -3.420
185 2HB PRO 30 2HB PRO 30 218.450 20.685 -2.468
186 1HG PRO 30 1HG PRO 30 219.884 21.167 -5.096
187 2HG PRO 30 2HG PRO 30 218.203 21.591 -4.667
188 1HD PRO 30 1HD PRO 30 220.081 23.475 -4.510
189 2HD PRO 30 2HD PRO 30 218.947 23.308 -3.141
190 H TYR 31 H TYR 31 222.478 21.148 -4.125
191 HA TYR 31 HA TYR 31 223.629 18.528 -3.706
192 1HB TYR 31 2HB TYR 31 225.160 20.724 -5.056
193 2HB TYR 31 1HB TYR 31 225.073 19.025 -5.459
194 HD1 TYR 31 HD1 TYR 31 222.102 18.626 -5.815
195 HD2 TYR 31 HD2 TYR 31 224.714 21.823 -7.076
196 HE1 TYR 31 HE1 TYR 31 220.472 19.270 -7.594
197 HE2 TYR 31 HE2 TYR 31 223.104 22.425 -8.869
198 HH TYR 31 HH TYR 31 221.209 21.844 -9.933
199 H ALA 32 H ALA 32 224.530 21.784 -2.719
200 HA ALA 32 HA ALA 32 226.880 20.775 -1.166
201 1HB ALA 32 2HB ALA 32 227.338 22.018 -3.254
202 2HB ALA 32 3HB ALA 32 226.541 23.433 -2.549
203 3HB ALA 32 1HB ALA 32 227.998 22.775 -1.795
204 H SER 33 H SER 33 226.283 20.671 0.908
205 HA SER 33 HA SER 33 226.026 23.212 2.392
206 1HB SER 33 1HB SER 33 225.703 20.936 3.468
207 2HB SER 33 2HB SER 33 227.440 20.656 3.286
208 HG SER 33 HG SER 33 227.779 22.266 4.799
209 H GLN 34 H GLN 34 227.481 24.754 1.698
210 HA GLN 34 HA GLN 34 229.802 23.853 0.077
211 1HB GLN 34 1HB GLN 34 227.845 24.920 -1.007
212 2HB GLN 34 2HB GLN 34 228.085 26.359 -0.017
213 1HG GLN 34 2HG GLN 34 230.210 26.848 -1.081
214 2HG GLN 34 1HG GLN 34 230.232 25.272 -1.878
215 1HE2 GLN 34 2HE2 GLN 34 228.745 26.763 -4.707
216 2HE2 GLN 34 1HE2 GLN 34 229.870 25.552 -4.088
217 H CYS 35 H CYS 35 231.797 24.869 0.070
218 HA CYS 35 HA CYS 35 232.692 26.315 2.412
219 1HB CYS 35 2HB CYS 35 234.142 26.182 -0.236
220 2HB CYS 35 1HB CYS 35 234.784 26.474 1.385
221 H LEU 36 H LEU 36 230.867 27.949 2.265
222 HA LEU 36 HA LEU 36 231.511 30.435 0.827
223 1HB LEU 36 2HB LEU 36 229.833 29.818 3.293
224 2HB LEU 36 1HB LEU 36 230.041 31.438 2.631
225 HG LEU 36 HG LEU 36 228.838 29.147 1.010
226 1HD1 LEU 36 1HD2 LEU 36 227.575 31.270 2.795
227 2HD1 LEU 36 2HD2 LEU 36 226.667 30.458 1.521
228 3HD1 LEU 36 3HD2 LEU 36 227.351 29.505 2.838
229 1HD2 LEU 36 1HD1 LEU 36 228.889 32.179 0.598
230 2HD2 LEU 36 2HD1 LEU 36 229.741 30.975 -0.393
231 3HD2 LEU 36 3HD1 LEU 36 227.980 31.025 -0.395
No H/Q in entry = 231
Start of MODEL 12
1 1H THR 1 1H THR 1 245.694 22.096 -0.366
2 2H THR 1 2H THR 1 245.481 22.660 1.168
3 3H THR 1 3H THR 1 245.183 21.075 0.856
4 HA THR 1 HA THR 1 243.221 21.679 -0.362
5 HB THR 1 HB THR 1 242.044 23.111 1.476
6 HG1 THR 1 HG1 THR 1 243.329 23.563 3.247
7 1HG2 THR 1 2HG2 THR 1 242.099 20.608 1.624
8 2HG2 THR 1 3HG2 THR 1 243.657 20.699 2.474
9 3HG2 THR 1 1HG2 THR 1 242.204 21.381 3.206
10 H GLN 2 H GLN 2 241.688 23.409 -1.047
11 HA GLN 2 HA GLN 2 242.934 25.981 -1.871
12 1HB GLN 2 1HB GLN 2 241.032 26.263 -3.260
13 2HB GLN 2 2HB GLN 2 241.501 24.573 -3.429
14 1HG GLN 2 1HG GLN 2 239.689 24.125 -1.562
15 2HG GLN 2 2HG GLN 2 239.136 25.760 -1.908
16 1HE2 GLN 2 2HE2 GLN 2 237.330 24.681 -4.719
17 2HE2 GLN 2 1HE2 GLN 2 237.732 26.026 -3.658
18 H SER 3 H SER 3 241.213 27.854 -1.525
19 HA SER 3 HA SER 3 240.385 27.986 1.353
20 1HB SER 3 1HB SER 3 241.710 29.851 0.526
21 2HB SER 3 2HB SER 3 240.572 30.123 -0.798
22 HG SER 3 HG SER 3 239.894 30.271 1.976
23 H HIS 4 H HIS 4 238.360 30.010 -0.210
24 HA HIS 4 HA HIS 4 235.942 28.819 0.074
25 1HB HIS 4 2HB HIS 4 236.948 30.836 -1.986
26 2HB HIS 4 1HB HIS 4 235.259 30.341 -1.932
27 HD2 HIS 4 HD2 HIS 4 233.686 31.124 0.053
28 HE1 HIS 4 HE1 HIS 4 236.514 33.611 1.971
29 HE2 HIS 4 HE2 HIS 4 234.057 32.775 2.015
30 H TYR 5 H TYR 5 234.302 28.103 -1.260
31 HA TYR 5 HA TYR 5 233.170 27.011 -2.845
32 1HB TYR 5 1HB TYR 5 235.457 27.511 -4.740
33 2HB TYR 5 2HB TYR 5 233.754 27.352 -5.127
34 HD1 TYR 5 HD2 TYR 5 232.329 29.161 -3.344
35 HD2 TYR 5 HD1 TYR 5 236.225 29.698 -5.140
36 HE1 TYR 5 HE2 TYR 5 232.066 31.630 -3.201
37 HE2 TYR 5 HE1 TYR 5 235.969 32.161 -4.925
38 HH TYR 5 HH TYR 5 234.713 33.830 -4.021
39 H GLY 6 H GLY 6 233.888 25.179 -1.299
40 1HA GLY 6 1HA GLY 6 234.273 22.790 -3.059
41 2HA GLY 6 2HA GLY 6 235.142 22.893 -1.526
42 H GLN 7 H GLN 7 232.801 21.134 -2.664
43 HA GLN 7 HA GLN 7 230.472 21.818 -1.082
44 1HB GLN 7 1HB GLN 7 230.117 20.909 -3.207
45 2HB GLN 7 2HB GLN 7 231.130 19.494 -2.907
46 1HG GLN 7 2HG GLN 7 229.554 18.576 -1.312
47 2HG GLN 7 1HG GLN 7 228.592 20.059 -1.313
48 1HE2 GLN 7 2HE2 GLN 7 227.419 17.219 -3.750
49 2HE2 GLN 7 1HE2 GLN 7 228.297 16.965 -2.244
50 H CYS 8 H CYS 8 229.956 21.279 0.940
51 HA CYS 8 HA CYS 8 231.087 18.843 2.255
52 1HB CYS 8 1HB CYS 8 229.774 21.098 3.748
53 2HB CYS 8 2HB CYS 8 230.988 19.943 4.281
54 H GLY 9 H GLY 9 229.272 18.007 0.608
55 1HA GLY 9 2HA GLY 9 226.774 17.481 2.102
56 2HA GLY 9 1HA GLY 9 226.614 18.492 0.665
57 H GLY 10 H GLY 10 225.308 16.050 1.070
58 1HA GLY 10 1HA GLY 10 226.820 13.745 0.333
59 2HA GLY 10 2HA GLY 10 225.101 13.811 0.665
60 H ILE 11 H ILE 11 224.114 15.307 -1.532
61 HA ILE 11 HA ILE 11 223.765 13.129 -3.307
62 HB ILE 11 HB ILE 11 223.010 16.032 -3.652
63 1HG1 ILE 11 2HG1 ILE 11 221.444 13.535 -2.822
64 2HG1 ILE 11 1HG1 ILE 11 221.957 14.840 -1.750
65 1HG2 ILE 11 1HG2 ILE 11 222.156 13.641 -5.346
66 2HG2 ILE 11 2HG2 ILE 11 221.476 15.274 -5.449
67 3HG2 ILE 11 3HG2 ILE 11 223.145 15.009 -5.897
68 1HD1 ILE 11 2HD1 ILE 11 220.515 16.434 -3.063
69 2HD1 ILE 11 3HD1 ILE 11 219.863 15.034 -3.949
70 3HD1 ILE 11 1HD1 ILE 11 219.639 15.159 -2.205
71 H GLY 12 H GLY 12 224.875 12.337 -4.933
72 1HA GLY 12 1HA GLY 12 226.413 12.024 -6.615
73 2HA GLY 12 2HA GLY 12 226.373 13.757 -6.928
74 H TYR 13 H TYR 13 227.372 12.269 -3.836
75 HA TYR 13 HA TYR 13 230.201 13.103 -4.282
76 1HB TYR 13 1HB TYR 13 228.357 14.829 -3.293
77 2HB TYR 13 2HB TYR 13 228.670 13.951 -1.814
78 HD1 TYR 13 HD1 TYR 13 230.485 15.579 -4.694
79 HD2 TYR 13 HD2 TYR 13 230.373 14.909 -0.420
80 HE1 TYR 13 HE1 TYR 13 232.355 17.201 -4.374
81 HE2 TYR 13 HE2 TYR 13 232.236 16.531 -0.128
82 HH TYR 13 HH TYR 13 233.265 18.303 -1.165
83 H SER 14 H SER 14 231.229 13.053 -1.940
84 HA SER 14 HA SER 14 230.558 10.931 -0.152
85 1HB SER 14 2HB SER 14 232.547 9.498 -0.376
86 2HB SER 14 1HB SER 14 231.539 9.438 -1.821
87 HG SER 14 HG SER 14 233.000 10.769 -2.883
88 H GLY 15 H GLY 15 233.908 11.763 -0.735
89 1HA GLY 15 2HA GLY 15 233.821 14.049 1.222
90 2HA GLY 15 1HA GLY 15 234.892 12.692 1.523
91 HA PRO 16 HA PRO 16 237.266 15.107 -1.896
92 1HB PRO 16 1HB PRO 16 235.043 16.441 -3.455
93 2HB PRO 16 2HB PRO 16 236.609 15.834 -4.038
94 1HG PRO 16 2HG PRO 16 234.335 14.403 -4.426
95 2HG PRO 16 1HG PRO 16 235.835 13.574 -3.924
96 1HD PRO 16 1HD PRO 16 233.467 14.354 -2.197
97 2HD PRO 16 2HD PRO 16 234.448 12.859 -2.253
98 H THR 17 H THR 17 236.311 16.172 0.670
99 HA THR 17 HA THR 17 235.646 19.013 0.394
100 HB THR 17 HB THR 17 235.889 18.952 2.919
101 HG1 THR 17 HG1 THR 17 236.062 16.868 3.810
102 1HG2 THR 17 3HG2 THR 17 234.015 16.902 1.660
103 2HG2 THR 17 1HG2 THR 17 233.858 17.596 3.285
104 3HG2 THR 17 2HG2 THR 17 233.702 18.640 1.868
105 H VAL 18 H VAL 18 237.791 19.005 -1.048
106 HA VAL 18 HA VAL 18 240.308 19.287 0.348
107 HB VAL 18 HB VAL 18 239.559 20.024 -2.507
108 1HG1 VAL 18 3HG2 VAL 18 242.273 19.624 -1.184
109 2HG1 VAL 18 1HG2 VAL 18 242.032 19.436 -2.929
110 3HG1 VAL 18 2HG2 VAL 18 241.732 20.990 -2.203
111 1HG2 VAL 18 1HG1 VAL 18 240.681 17.434 -1.331
112 2HG2 VAL 18 2HG1 VAL 18 239.071 17.638 -2.040
113 3HG2 VAL 18 3HG1 VAL 18 240.487 17.774 -3.062
114 H CYS 19 H CYS 19 238.395 21.087 1.464
115 HA CYS 19 HA CYS 19 239.070 23.883 0.704
116 1HB CYS 19 1HB CYS 19 236.759 23.385 0.686
117 2HB CYS 19 2HB CYS 19 236.846 22.450 2.181
118 H ALA 20 H ALA 20 239.566 25.470 2.327
119 HA ALA 20 HA ALA 20 240.923 24.451 4.805
120 1HB ALA 20 2HB ALA 20 242.381 25.628 3.258
121 2HB ALA 20 3HB ALA 20 241.331 27.058 3.320
122 3HB ALA 20 1HB ALA 20 242.184 26.519 4.776
123 H SER 21 H SER 21 239.520 24.437 6.481
124 HA SER 21 HA SER 21 237.393 26.240 6.940
125 1HB SER 21 1HB SER 21 237.704 24.065 8.132
126 2HB SER 21 2HB SER 21 238.976 24.819 9.111
127 HG SER 21 HG SER 21 236.285 25.781 8.877
128 H GLY 22 H GLY 22 237.144 27.893 8.508
129 1HA GLY 22 2HA GLY 22 238.146 30.148 9.240
130 2HA GLY 22 1HA GLY 22 239.258 29.945 7.883
131 H THR 23 H THR 23 237.768 28.875 5.950
132 HA THR 23 HA THR 23 235.272 30.423 5.428
133 HB THR 23 HB THR 23 235.083 29.152 3.374
134 HG1 THR 23 HG1 THR 23 237.477 27.821 4.169
135 1HG2 THR 23 3HG2 THR 23 237.937 30.183 3.736
136 2HG2 THR 23 1HG2 THR 23 237.126 29.855 2.193
137 3HG2 THR 23 2HG2 THR 23 236.506 31.121 3.268
138 H THR 24 H THR 24 233.359 28.964 4.819
139 HA THR 24 HA THR 24 232.817 27.244 7.203
140 HB THR 24 HB THR 24 230.592 28.041 7.148
141 HG1 THR 24 HG1 THR 24 231.267 29.398 4.745
142 1HG2 THR 24 2HG2 THR 24 232.223 29.640 8.098
143 2HG2 THR 24 3HG2 THR 24 232.337 30.448 6.523
144 3HG2 THR 24 1HG2 THR 24 230.798 30.433 7.388
145 H CYS 25 H CYS 25 230.162 26.612 5.889
146 HA CYS 25 HA CYS 25 230.566 24.673 3.806
147 1HB CYS 25 1HB CYS 25 230.530 23.679 6.673
148 2HB CYS 25 2HB CYS 25 229.790 22.714 5.412
149 H GLN 26 H GLN 26 228.886 26.357 3.298
150 HA GLN 26 HA GLN 26 226.274 26.090 4.723
151 1HB GLN 26 1HB GLN 26 227.658 27.956 5.338
152 2HB GLN 26 2HB GLN 26 227.793 28.477 3.655
153 1HG GLN 26 1HG GLN 26 225.443 29.150 3.621
154 2HG GLN 26 2HG GLN 26 225.139 28.361 5.174
155 1HE2 GLN 26 2HE2 GLN 26 227.545 31.592 5.707
156 2HE2 GLN 26 1HE2 GLN 26 228.114 30.284 4.678
157 H VAL 27 H VAL 27 224.343 26.497 3.739
158 HA VAL 27 HA VAL 27 223.866 25.092 1.428
159 HB VAL 27 HB VAL 27 221.526 25.841 1.645
160 1HG1 VAL 27 3HG2 VAL 27 222.489 23.965 2.953
161 2HG1 VAL 27 1HG2 VAL 27 222.828 25.089 4.292
162 3HG1 VAL 27 2HG2 VAL 27 221.161 24.782 3.789
163 1HG2 VAL 27 1HG1 VAL 27 222.534 27.652 3.897
164 2HG2 VAL 27 2HG1 VAL 27 221.728 28.179 2.408
165 3HG2 VAL 27 3HG1 VAL 27 220.848 27.228 3.590
166 H LEU 28 H LEU 28 224.267 25.464 -0.666
167 HA LEU 28 HA LEU 28 223.315 28.037 -1.911
168 1HB LEU 28 1HB LEU 28 224.531 25.966 -3.655
169 2HB LEU 28 2HB LEU 28 224.658 27.713 -3.703
170 HG LEU 28 HG LEU 28 226.158 25.838 -1.825
171 1HD1 LEU 28 3HD2 LEU 28 226.734 25.566 -4.228
172 2HD1 LEU 28 1HD2 LEU 28 227.112 27.300 -4.327
173 3HD1 LEU 28 2HD2 LEU 28 228.059 26.230 -3.283
174 1HD2 LEU 28 1HD1 LEU 28 225.916 28.141 -0.870
175 2HD2 LEU 28 2HD1 LEU 28 227.584 27.779 -1.310
176 3HD2 LEU 28 3HD1 LEU 28 226.600 28.818 -2.359
177 H ASN 29 H ASN 29 222.990 24.526 -2.185
178 HA ASN 29 HA ASN 29 220.298 24.607 -3.395
179 1HB ASN 29 1HB ASN 29 221.054 23.429 -5.459
180 2HB ASN 29 2HB ASN 29 221.887 24.950 -5.282
181 1HD2 ASN 29 2HD2 ASN 29 224.910 23.149 -5.704
182 2HD2 ASN 29 1HD2 ASN 29 223.987 24.610 -6.074
183 HA PRO 30 HA PRO 30 219.694 20.805 -1.204
184 1HB PRO 30 1HB PRO 30 218.780 18.881 -3.068
185 2HB PRO 30 2HB PRO 30 217.810 20.123 -2.243
186 1HG PRO 30 1HG PRO 30 219.124 20.278 -4.970
187 2HG PRO 30 2HG PRO 30 217.449 20.718 -4.529
188 1HD PRO 30 1HD PRO 30 219.255 22.642 -4.768
189 2HD PRO 30 2HD PRO 30 218.218 22.675 -3.335
190 H TYR 31 H TYR 31 222.134 20.588 -3.680
191 HA TYR 31 HA TYR 31 223.192 18.004 -2.642
192 1HB TYR 31 2HB TYR 31 224.773 19.640 -4.570
193 2HB TYR 31 1HB TYR 31 224.528 17.915 -4.511
194 HD1 TYR 31 HD2 TYR 31 221.598 17.611 -4.824
195 HD2 TYR 31 HD1 TYR 31 224.281 20.444 -6.674
196 HE1 TYR 31 HE2 TYR 31 219.987 17.921 -6.692
197 HE2 TYR 31 HE1 TYR 31 222.643 20.779 -8.519
198 HH TYR 31 HH TYR 31 219.571 18.979 -8.635
199 H ALA 32 H ALA 32 223.925 21.407 -2.831
200 HA ALA 32 HA ALA 32 226.599 21.074 -1.633
201 1HB ALA 32 2HB ALA 32 226.191 21.937 -3.974
202 2HB ALA 32 3HB ALA 32 225.540 23.412 -3.235
203 3HB ALA 32 1HB ALA 32 227.221 22.931 -2.940
204 H SER 33 H SER 33 226.146 21.115 0.562
205 HA SER 33 HA SER 33 225.818 23.875 1.658
206 1HB SER 33 1HB SER 33 224.842 21.853 2.888
207 2HB SER 33 2HB SER 33 226.498 21.440 3.342
208 HG SER 33 HG SER 33 226.581 23.400 4.477
209 H GLN 34 H GLN 34 227.606 25.019 1.025
210 HA GLN 34 HA GLN 34 230.207 23.612 0.549
211 1HB GLN 34 1HB GLN 34 228.899 23.774 -1.425
212 2HB GLN 34 2HB GLN 34 228.459 25.440 -1.128
213 1HG GLN 34 1HG GLN 34 231.377 24.847 -1.616
214 2HG GLN 34 2HG GLN 34 230.267 24.725 -2.960
215 1HE2 GLN 34 2HE2 GLN 34 230.456 28.188 -3.451
216 2HE2 GLN 34 1HE2 GLN 34 230.312 26.600 -4.202
217 H CYS 35 H CYS 35 232.160 24.844 0.460
218 HA CYS 35 HA CYS 35 232.428 26.660 2.619
219 1HB CYS 35 2HB CYS 35 234.437 26.058 0.425
220 2HB CYS 35 1HB CYS 35 234.740 26.928 1.929
221 H LEU 36 H LEU 36 230.873 28.244 2.234
222 HA LEU 36 HA LEU 36 231.687 30.706 0.816
223 1HB LEU 36 1HB LEU 36 229.557 30.198 2.909
224 2HB LEU 36 2HB LEU 36 229.797 31.698 2.013
225 HG LEU 36 HG LEU 36 228.943 29.012 0.815
226 1HD1 LEU 36 3HD2 LEU 36 227.190 30.197 2.124
227 2HD1 LEU 36 1HD2 LEU 36 227.452 31.658 1.157
228 3HD1 LEU 36 2HD2 LEU 36 226.810 30.187 0.397
229 1HD2 LEU 36 1HD1 LEU 36 229.516 31.702 -0.516
230 2HD2 LEU 36 2HD1 LEU 36 230.288 30.136 -0.851
231 3HD2 LEU 36 3HD1 LEU 36 228.599 30.391 -1.285
No H/Q in entry = 231
Start of MODEL 13
1 1H THR 1 3H THR 1 244.018 23.354 -1.891
2 2H THR 1 1H THR 1 244.191 24.630 -0.852
3 3H THR 1 2H THR 1 244.878 23.198 -0.472
4 HA THR 1 HA THR 1 242.730 22.270 -0.008
5 HB THR 1 HB THR 1 241.947 24.024 1.743
6 HG1 THR 1 HG1 THR 1 242.678 26.017 1.303
7 1HG2 THR 1 2HG2 THR 1 243.802 22.403 2.358
8 2HG2 THR 1 3HG2 THR 1 244.981 23.585 1.744
9 3HG2 THR 1 1HG2 THR 1 243.945 23.994 3.111
10 H GLN 2 H GLN 2 240.463 22.273 -0.246
11 HA GLN 2 HA GLN 2 239.205 23.714 -2.440
12 1HB GLN 2 2HB GLN 2 238.189 21.829 -0.276
13 2HB GLN 2 1HB GLN 2 237.240 22.373 -1.658
14 1HG GLN 2 1HG GLN 2 238.655 21.190 -3.227
15 2HG GLN 2 2HG GLN 2 239.860 20.846 -1.988
16 1HE2 GLN 2 2HE2 GLN 2 236.456 18.598 -1.937
17 2HE2 GLN 2 1HE2 GLN 2 236.390 20.146 -2.785
18 H SER 3 H SER 3 239.824 25.847 -1.340
19 HA SER 3 HA SER 3 238.521 26.515 1.177
20 1HB SER 3 1HB SER 3 240.269 28.366 -0.494
21 2HB SER 3 2HB SER 3 239.917 28.428 1.237
22 HG SER 3 HG SER 3 241.310 26.389 -0.217
23 H HIS 4 H HIS 4 238.684 28.998 -1.400
24 HA HIS 4 HA HIS 4 235.877 29.658 -0.978
25 1HB HIS 4 1HB HIS 4 237.669 31.367 -1.436
26 2HB HIS 4 2HB HIS 4 237.758 30.762 -3.092
27 HD2 HIS 4 HD2 HIS 4 234.688 31.779 -0.760
28 HE1 HIS 4 HE1 HIS 4 234.266 33.642 -4.542
29 HE2 HIS 4 HE2 HIS 4 233.175 33.325 -2.256
30 H TYR 5 H TYR 5 234.822 27.883 -1.506
31 HA TYR 5 HA TYR 5 233.331 26.825 -2.869
32 1HB TYR 5 2HB TYR 5 235.229 26.883 -5.207
33 2HB TYR 5 1HB TYR 5 233.570 26.319 -5.192
34 HD1 TYR 5 HD1 TYR 5 232.054 28.421 -3.748
35 HD2 TYR 5 HD2 TYR 5 235.311 28.818 -6.572
36 HE1 TYR 5 HE1 TYR 5 231.277 30.701 -4.342
37 HE2 TYR 5 HE2 TYR 5 234.533 31.106 -7.126
38 HH TYR 5 HH TYR 5 233.017 32.697 -6.715
39 H GLY 6 H GLY 6 233.148 25.026 -1.894
40 1HA GLY 6 1HA GLY 6 234.776 22.647 -2.393
41 2HA GLY 6 2HA GLY 6 234.924 23.301 -0.757
42 H GLN 7 H GLN 7 233.074 21.278 -2.756
43 HA GLN 7 HA GLN 7 230.468 21.566 -1.570
44 1HB GLN 7 1HB GLN 7 230.749 20.846 -3.833
45 2HB GLN 7 2HB GLN 7 231.694 19.430 -3.350
46 1HG GLN 7 2HG GLN 7 229.749 18.435 -2.246
47 2HG GLN 7 1HG GLN 7 228.797 19.903 -2.520
48 1HE2 GLN 7 2HE2 GLN 7 227.594 17.699 -5.109
49 2HE2 GLN 7 1HE2 GLN 7 227.336 18.089 -3.411
50 H CYS 8 H CYS 8 229.954 20.994 0.455
51 HA CYS 8 HA CYS 8 230.665 18.272 1.509
52 1HB CYS 8 1HB CYS 8 230.902 19.423 3.780
53 2HB CYS 8 2HB CYS 8 232.187 19.678 2.611
54 H GLY 9 H GLY 9 228.443 18.303 0.207
55 1HA GLY 9 2HA GLY 9 226.257 18.334 2.270
56 2HA GLY 9 1HA GLY 9 226.054 19.249 0.783
57 H GLY 10 H GLY 10 227.529 16.025 0.935
58 1HA GLY 10 1HA GLY 10 226.716 13.913 0.614
59 2HA GLY 10 2HA GLY 10 225.098 14.542 0.865
60 H ILE 11 H ILE 11 224.204 15.760 -1.233
61 HA ILE 11 HA ILE 11 223.648 13.600 -2.931
62 HB ILE 11 HB ILE 11 223.050 16.530 -3.347
63 1HG1 ILE 11 1HG1 ILE 11 221.400 14.132 -2.398
64 2HG1 ILE 11 2HG1 ILE 11 221.988 15.460 -1.391
65 1HG2 ILE 11 2HG2 ILE 11 223.072 15.354 -5.576
66 2HG2 ILE 11 3HG2 ILE 11 221.951 14.147 -4.913
67 3HG2 ILE 11 1HG2 ILE 11 221.469 15.847 -5.107
68 1HD1 ILE 11 2HD1 ILE 11 220.600 17.050 -2.787
69 2HD1 ILE 11 3HD1 ILE 11 219.884 15.633 -3.590
70 3HD1 ILE 11 1HD1 ILE 11 219.664 15.867 -1.857
71 H GLY 12 H GLY 12 224.827 12.549 -4.309
72 1HA GLY 12 1HA GLY 12 226.025 12.084 -6.267
73 2HA GLY 12 2HA GLY 12 226.329 13.796 -6.521
74 H TYR 13 H TYR 13 227.255 13.469 -3.414
75 HA TYR 13 HA TYR 13 230.048 13.635 -4.354
76 1HB TYR 13 1HB TYR 13 228.579 15.592 -3.550
77 2HB TYR 13 2HB TYR 13 228.836 14.982 -1.929
78 HD1 TYR 13 HD2 TYR 13 230.596 16.057 -5.072
79 HD2 TYR 13 HD1 TYR 13 230.906 15.614 -0.780
80 HE1 TYR 13 HE2 TYR 13 232.818 17.187 -5.097
81 HE2 TYR 13 HE1 TYR 13 233.227 16.504 -0.870
82 HH TYR 13 HH TYR 13 234.777 17.468 -2.163
83 H SER 14 H SER 14 229.980 11.144 -3.886
84 HA SER 14 HA SER 14 231.297 10.502 -1.281
85 1HB SER 14 1HB SER 14 230.290 8.670 -2.500
86 2HB SER 14 2HB SER 14 231.271 9.020 -3.934
87 HG SER 14 HG SER 14 233.121 8.586 -2.675
88 H GLY 15 H GLY 15 232.419 12.707 -1.552
89 1HA GLY 15 1HA GLY 15 234.922 12.537 -3.224
90 2HA GLY 15 2HA GLY 15 233.837 13.926 -3.225
91 HA PRO 16 HA PRO 16 237.454 14.305 -0.192
92 1HB PRO 16 1HB PRO 16 239.038 16.128 -1.454
93 2HB PRO 16 2HB PRO 16 238.994 14.419 -1.957
94 1HG PRO 16 2HG PRO 16 237.406 16.724 -3.148
95 2HG PRO 16 1HG PRO 16 238.445 15.566 -4.018
96 1HD PRO 16 2HD PRO 16 235.754 15.204 -3.815
97 2HD PRO 16 1HD PRO 16 236.869 13.810 -3.743
98 H THR 17 H THR 17 237.556 15.810 1.476
99 HA THR 17 HA THR 17 236.068 18.424 1.229
100 HB THR 17 HB THR 17 235.384 18.061 3.616
101 HG1 THR 17 HG1 THR 17 235.871 15.332 3.232
102 1HG2 THR 17 2HG2 THR 17 233.844 17.602 1.721
103 2HG2 THR 17 3HG2 THR 17 234.411 15.923 1.665
104 3HG2 THR 17 1HG2 THR 17 233.561 16.524 3.102
105 H VAL 18 H VAL 18 238.774 18.356 0.697
106 HA VAL 18 HA VAL 18 240.313 19.090 3.090
107 HB VAL 18 HB VAL 18 241.198 19.293 0.192
108 1HG1 VAL 18 3HG2 VAL 18 242.744 18.830 2.797
109 2HG1 VAL 18 1HG2 VAL 18 243.447 18.877 1.172
110 3HG1 VAL 18 2HG2 VAL 18 242.752 20.336 1.872
111 1HG2 VAL 18 3HG1 VAL 18 241.307 16.868 2.048
112 2HG2 VAL 18 1HG1 VAL 18 240.376 16.984 0.542
113 3HG2 VAL 18 2HG1 VAL 18 242.135 17.000 0.482
114 H CYS 19 H CYS 19 238.348 20.728 3.242
115 HA CYS 19 HA CYS 19 238.718 23.367 1.998
116 1HB CYS 19 1HB CYS 19 236.517 22.495 2.153
117 2HB CYS 19 2HB CYS 19 236.690 22.077 3.857
118 H ALA 20 H ALA 20 238.644 25.360 3.422
119 HA ALA 20 HA ALA 20 240.738 25.104 5.575
120 1HB ALA 20 2HB ALA 20 241.648 25.837 3.446
121 2HB ALA 20 3HB ALA 20 240.474 27.173 3.377
122 3HB ALA 20 1HB ALA 20 241.711 27.134 4.650
123 H SER 21 H SER 21 239.371 25.251 7.345
124 HA SER 21 HA SER 21 237.381 26.890 8.136
125 1HB SER 21 1HB SER 21 238.511 25.249 9.587
126 2HB SER 21 2HB SER 21 239.873 26.379 9.787
127 HG SER 21 HG SER 21 238.351 26.625 11.506
128 H GLY 22 H GLY 22 236.999 28.942 7.818
129 1HA GLY 22 1HA GLY 22 237.863 31.412 8.350
130 2HA GLY 22 2HA GLY 22 239.172 30.900 7.289
131 H THR 23 H THR 23 238.061 29.412 5.443
132 HA THR 23 HA THR 23 235.533 30.527 4.303
133 HB THR 23 HB THR 23 235.819 28.911 2.479
134 HG1 THR 23 HG1 THR 23 238.037 28.134 4.040
135 1HG2 THR 23 1HG2 THR 23 236.905 31.145 2.293
136 2HG2 THR 23 2HG2 THR 23 238.406 30.486 2.972
137 3HG2 THR 23 3HG2 THR 23 237.797 29.910 1.411
138 H THR 24 H THR 24 233.699 29.112 4.224
139 HA THR 24 HA THR 24 233.491 27.689 6.800
140 HB THR 24 HB THR 24 231.128 28.214 6.704
141 HG1 THR 24 HG1 THR 24 231.726 29.505 4.252
142 1HG2 THR 24 2HG2 THR 24 232.741 29.907 7.561
143 2HG2 THR 24 3HG2 THR 24 232.787 30.657 5.956
144 3HG2 THR 24 1HG2 THR 24 231.268 30.603 6.875
145 H CYS 25 H CYS 25 230.938 27.028 4.717
146 HA CYS 25 HA CYS 25 230.743 24.694 3.577
147 1HB CYS 25 1HB CYS 25 232.170 23.448 5.129
148 2HB CYS 25 2HB CYS 25 231.062 23.776 6.465
149 H GLN 26 H GLN 26 229.091 26.261 3.230
150 HA GLN 26 HA GLN 26 226.915 26.616 5.204
151 1HB GLN 26 1HB GLN 26 228.611 28.326 4.512
152 2HB GLN 26 2HB GLN 26 227.904 28.353 2.895
153 1HG GLN 26 2HG GLN 26 225.785 29.208 3.844
154 2HG GLN 26 1HG GLN 26 226.446 29.093 5.481
155 1HE2 GLN 26 2HE2 GLN 26 228.837 31.854 4.555
156 2HE2 GLN 26 1HE2 GLN 26 229.166 30.160 4.895
157 H VAL 27 H VAL 27 224.817 26.059 4.742
158 HA VAL 27 HA VAL 27 224.124 24.502 2.496
159 HB VAL 27 HB VAL 27 222.247 25.729 4.518
160 1HG1 VAL 27 1HG2 VAL 27 222.009 23.259 2.726
161 2HG1 VAL 27 2HG2 VAL 27 220.858 23.725 3.989
162 3HG1 VAL 27 3HG2 VAL 27 221.051 24.744 2.564
163 1HG2 VAL 27 1HG1 VAL 27 223.805 23.096 4.564
164 2HG2 VAL 27 2HG1 VAL 27 224.031 24.454 5.679
165 3HG2 VAL 27 3HG1 VAL 27 222.524 23.543 5.706
166 H LEU 28 H LEU 28 224.580 25.724 0.584
167 HA LEU 28 HA LEU 28 222.730 27.919 -0.197
168 1HB LEU 28 1HB LEU 28 224.928 26.568 -1.803
169 2HB LEU 28 2HB LEU 28 224.054 28.044 -2.229
170 HG LEU 28 HG LEU 28 226.050 27.671 0.018
171 1HD1 LEU 28 2HD1 LEU 28 226.896 27.909 -2.339
172 2HD1 LEU 28 3HD1 LEU 28 226.092 29.489 -2.428
173 3HD1 LEU 28 1HD1 LEU 28 227.404 29.221 -1.266
174 1HD2 LEU 28 2HD2 LEU 28 224.398 30.150 -0.650
175 2HD2 LEU 28 3HD2 LEU 28 224.287 29.192 0.841
176 3HD2 LEU 28 1HD2 LEU 28 225.758 30.093 0.487
177 H ASN 29 H ASN 29 223.316 24.538 -1.246
178 HA ASN 29 HA ASN 29 220.830 24.560 -2.872
179 1HB ASN 29 1HB ASN 29 222.122 24.142 -4.984
180 2HB ASN 29 2HB ASN 29 222.449 25.707 -4.277
181 1HD2 ASN 29 2HD2 ASN 29 225.910 24.971 -4.232
182 2HD2 ASN 29 1HD2 ASN 29 224.660 26.216 -4.167
183 HA PRO 30 HA PRO 30 220.760 20.211 -2.034
184 1HB PRO 30 1HB PRO 30 219.235 19.160 -4.019
185 2HB PRO 30 2HB PRO 30 218.609 20.407 -2.917
186 1HG PRO 30 1HG PRO 30 219.867 20.889 -5.643
187 2HG PRO 30 2HG PRO 30 218.231 21.379 -5.114
188 1HD PRO 30 1HD PRO 30 220.256 23.112 -4.918
189 2HD PRO 30 2HD PRO 30 219.119 22.969 -3.559
190 H TYR 31 H TYR 31 223.206 20.731 -2.723
191 HA TYR 31 HA TYR 31 224.336 18.285 -3.777
192 1HB TYR 31 2HB TYR 31 225.084 20.875 -5.213
193 2HB TYR 31 1HB TYR 31 225.794 19.299 -5.454
194 HD1 TYR 31 HD2 TYR 31 224.369 17.405 -6.444
195 HD2 TYR 31 HD1 TYR 31 223.156 21.552 -6.457
196 HE1 TYR 31 HE2 TYR 31 222.710 16.928 -8.255
197 HE2 TYR 31 HE1 TYR 31 221.516 21.064 -8.261
198 HH TYR 31 HH TYR 31 220.675 19.506 -9.635
199 H ALA 32 H ALA 32 225.068 21.689 -3.108
200 HA ALA 32 HA ALA 32 227.224 20.978 -1.161
201 1HB ALA 32 2HB ALA 32 227.933 22.154 -3.231
202 2HB ALA 32 3HB ALA 32 226.917 23.527 -2.759
203 3HB ALA 32 1HB ALA 32 228.284 23.040 -1.743
204 H SER 33 H SER 33 226.539 21.127 0.804
205 HA SER 33 HA SER 33 226.024 23.855 1.747
206 1HB SER 33 1HB SER 33 225.741 21.855 3.371
207 2HB SER 33 2HB SER 33 227.508 21.718 3.309
208 HG SER 33 HG SER 33 227.305 23.241 4.841
209 H GLN 34 H GLN 34 227.670 25.282 1.400
210 HA GLN 34 HA GLN 34 229.941 24.325 -0.304
211 1HB GLN 34 1HB GLN 34 228.130 25.572 -1.463
212 2HB GLN 34 2HB GLN 34 228.278 26.876 -0.289
213 1HG GLN 34 1HG GLN 34 229.339 27.613 -2.293
214 2HG GLN 34 2HG GLN 34 230.616 27.340 -1.127
215 1HE2 GLN 34 2HE2 GLN 34 230.895 25.475 -4.616
216 2HE2 GLN 34 1HE2 GLN 34 229.901 26.906 -4.357
217 H CYS 35 H CYS 35 232.012 24.741 0.386
218 HA CYS 35 HA CYS 35 232.624 26.618 2.533
219 1HB CYS 35 2HB CYS 35 234.438 25.351 0.462
220 2HB CYS 35 1HB CYS 35 234.951 26.352 1.824
221 H LEU 36 H LEU 36 231.367 28.438 1.937
222 HA LEU 36 HA LEU 36 232.729 30.393 0.144
223 1HB LEU 36 1HB LEU 36 230.536 30.757 2.238
224 2HB LEU 36 2HB LEU 36 231.178 32.003 1.165
225 HG LEU 36 HG LEU 36 229.583 29.527 0.325
226 1HD1 LEU 36 1HD2 LEU 36 228.963 32.518 0.363
227 2HD1 LEU 36 2HD2 LEU 36 227.922 31.292 -0.376
228 3HD1 LEU 36 3HD2 LEU 36 228.216 31.264 1.373
229 1HD2 LEU 36 1HD1 LEU 36 230.864 31.738 -1.350
230 2HD2 LEU 36 2HD1 LEU 36 231.182 29.991 -1.457
231 3HD2 LEU 36 3HD1 LEU 36 229.614 30.635 -1.960
No H/Q in entry = 231
Start of MODEL 14
1 1H THR 1 2H THR 1 243.838 22.662 -2.021
2 2H THR 1 3H THR 1 243.944 24.109 -1.215
3 3H THR 1 1H THR 1 244.597 22.766 -0.550
4 HA THR 1 HA THR 1 242.452 21.865 -0.139
5 HB THR 1 HB THR 1 241.510 23.834 1.327
6 HG1 THR 1 HG1 THR 1 242.301 25.723 0.653
7 1HG2 THR 1 2HG2 THR 1 243.160 22.212 2.275
8 2HG2 THR 1 3HG2 THR 1 244.492 23.223 1.665
9 3HG2 THR 1 1HG2 THR 1 243.373 23.854 2.878
10 H GLN 2 H GLN 2 240.217 21.749 -0.551
11 HA GLN 2 HA GLN 2 239.000 23.116 -2.812
12 1HB GLN 2 1HB GLN 2 238.560 20.726 -2.077
13 2HB GLN 2 2HB GLN 2 237.805 21.381 -0.626
14 1HG GLN 2 1HG GLN 2 236.315 22.738 -2.399
15 2HG GLN 2 2HG GLN 2 236.873 21.518 -3.527
16 1HE2 GLN 2 2HE2 GLN 2 234.352 20.415 -0.485
17 2HE2 GLN 2 1HE2 GLN 2 235.431 21.793 -0.206
18 H SER 3 H SER 3 239.503 25.281 -1.930
19 HA SER 3 HA SER 3 238.315 26.221 0.556
20 1HB SER 3 1HB SER 3 239.828 27.825 -1.543
21 2HB SER 3 2HB SER 3 239.634 28.193 0.181
22 HG SER 3 HG SER 3 241.110 26.064 -1.004
23 H HIS 4 H HIS 4 238.052 29.026 -0.981
24 HA HIS 4 HA HIS 4 235.376 29.409 -0.793
25 1HB HIS 4 1HB HIS 4 237.337 31.046 -1.210
26 2HB HIS 4 2HB HIS 4 237.024 30.803 -2.925
27 HD2 HIS 4 HD2 HIS 4 234.738 31.720 0.221
28 HE1 HIS 4 HE1 HIS 4 233.987 34.447 -2.927
29 HE2 HIS 4 HE2 HIS 4 233.378 33.833 -0.525
30 H TYR 5 H TYR 5 233.653 28.654 -1.783
31 HA TYR 5 HA TYR 5 232.130 27.858 -3.241
32 1HB TYR 5 1HB TYR 5 234.022 28.345 -5.550
33 2HB TYR 5 2HB TYR 5 232.292 28.087 -5.623
34 HD1 TYR 5 HD2 TYR 5 230.833 29.842 -4.134
35 HD2 TYR 5 HD1 TYR 5 234.723 30.587 -5.865
36 HE1 TYR 5 HE2 TYR 5 230.389 32.297 -4.109
37 HE2 TYR 5 HE1 TYR 5 234.241 33.019 -5.880
38 HH TYR 5 HH TYR 5 232.756 34.632 -5.375
39 H GLY 6 H GLY 6 233.385 26.073 -1.798
40 1HA GLY 6 2HA GLY 6 234.098 23.690 -3.489
41 2HA GLY 6 1HA GLY 6 234.611 24.047 -1.840
42 H GLN 7 H GLN 7 232.860 21.728 -3.301
43 HA GLN 7 HA GLN 7 230.423 21.799 -1.762
44 1HB GLN 7 1HB GLN 7 230.456 20.800 -3.930
45 2HB GLN 7 2HB GLN 7 231.605 19.558 -3.420
46 1HG GLN 7 2HG GLN 7 229.971 18.525 -1.933
47 2HG GLN 7 1HG GLN 7 228.913 19.922 -2.029
48 1HE2 GLN 7 2HE2 GLN 7 227.198 17.513 -4.099
49 2HE2 GLN 7 1HE2 GLN 7 227.455 17.890 -2.394
50 H CYS 8 H CYS 8 229.956 21.123 0.220
51 HA CYS 8 HA CYS 8 231.588 18.975 1.539
52 1HB CYS 8 1HB CYS 8 229.793 20.950 2.983
53 2HB CYS 8 2HB CYS 8 230.994 19.847 3.645
54 H GLY 9 H GLY 9 228.265 20.173 1.098
55 1HA GLY 9 1HA GLY 9 226.799 18.076 2.228
56 2HA GLY 9 2HA GLY 9 226.205 19.144 0.964
57 H GLY 10 H GLY 10 225.198 16.719 1.152
58 1HA GLY 10 1HA GLY 10 226.635 14.508 0.345
59 2HA GLY 10 2HA GLY 10 224.885 14.583 0.437
60 H ILE 11 H ILE 11 224.191 16.125 -1.862
61 HA ILE 11 HA ILE 11 224.132 13.835 -3.579
62 HB ILE 11 HB ILE 11 223.069 16.606 -4.108
63 1HG1 ILE 11 2HG1 ILE 11 221.735 13.966 -3.339
64 2HG1 ILE 11 1HG1 ILE 11 222.087 15.275 -2.213
65 1HG2 ILE 11 2HG2 ILE 11 223.516 15.490 -6.281
66 2HG2 ILE 11 3HG2 ILE 11 222.611 14.067 -5.740
67 3HG2 ILE 11 1HG2 ILE 11 221.803 15.628 -5.961
68 1HD1 ILE 11 3HD1 ILE 11 220.600 16.792 -3.549
69 2HD1 ILE 11 1HD1 ILE 11 220.105 15.387 -4.524
70 3HD1 ILE 11 2HD1 ILE 11 219.775 15.417 -2.790
71 H GLY 12 H GLY 12 225.584 13.068 -4.838
72 1HA GLY 12 1HA GLY 12 227.090 13.021 -6.686
73 2HA GLY 12 2HA GLY 12 227.450 14.726 -6.470
74 H TYR 13 H TYR 13 227.752 13.809 -3.358
75 HA TYR 13 HA TYR 13 230.670 13.967 -3.851
76 1HB TYR 13 1HB TYR 13 229.214 15.866 -3.021
77 2HB TYR 13 2HB TYR 13 229.137 15.032 -1.489
78 HD1 TYR 13 HD2 TYR 13 231.350 16.732 -3.955
79 HD2 TYR 13 HD1 TYR 13 231.179 14.921 -0.032
80 HE1 TYR 13 HE2 TYR 13 233.556 17.738 -3.379
81 HE2 TYR 13 HE1 TYR 13 233.360 15.959 0.532
82 HH TYR 13 HH TYR 13 234.951 18.232 -1.668
83 H SER 14 H SER 14 230.875 11.568 -3.816
84 HA SER 14 HA SER 14 231.426 10.353 -1.171
85 1HB SER 14 1HB SER 14 232.661 8.691 -2.571
86 2HB SER 14 2HB SER 14 230.996 8.945 -3.129
87 HG SER 14 HG SER 14 232.751 9.034 -4.785
88 H GLY 15 H GLY 15 232.558 13.128 -1.679
89 1HA GLY 15 1HA GLY 15 235.404 12.704 -2.287
90 2HA GLY 15 2HA GLY 15 234.549 14.234 -2.191
91 HA PRO 16 HA PRO 16 236.770 13.790 1.923
92 1HB PRO 16 1HB PRO 16 239.378 14.320 1.526
93 2HB PRO 16 2HB PRO 16 238.708 12.695 1.220
94 1HG PRO 16 1HG PRO 16 239.258 14.868 -0.832
95 2HG PRO 16 2HG PRO 16 239.719 13.149 -0.904
96 1HD PRO 16 1HD PRO 16 237.423 14.190 -2.090
97 2HD PRO 16 2HD PRO 16 237.562 12.501 -1.522
98 H THR 17 H THR 17 236.171 15.692 2.929
99 HA THR 17 HA THR 17 236.041 18.235 1.548
100 HB THR 17 HB THR 17 235.207 19.063 3.744
101 HG1 THR 17 HG1 THR 17 234.896 17.462 5.364
102 1HG2 THR 17 2HG2 THR 17 233.706 17.921 2.035
103 2HG2 THR 17 3HG2 THR 17 233.869 16.436 2.988
104 3HG2 THR 17 1HG2 THR 17 233.126 17.878 3.706
105 H VAL 18 H VAL 18 238.538 17.926 1.159
106 HA VAL 18 HA VAL 18 240.342 18.954 3.203
107 HB VAL 18 HB VAL 18 240.842 18.872 0.203
108 1HG1 VAL 18 3HG2 VAL 18 242.602 20.059 1.553
109 2HG1 VAL 18 1HG2 VAL 18 242.742 18.639 2.594
110 3HG1 VAL 18 2HG2 VAL 18 243.201 18.548 0.883
111 1HG2 VAL 18 1HG1 VAL 18 241.204 16.610 2.220
112 2HG2 VAL 18 2HG1 VAL 18 240.116 16.617 0.819
113 3HG2 VAL 18 3HG1 VAL 18 241.852 16.627 0.568
114 H CYS 19 H CYS 19 238.568 20.768 3.546
115 HA CYS 19 HA CYS 19 238.773 23.096 1.745
116 1HB CYS 19 1HB CYS 19 236.605 22.306 2.278
117 2HB CYS 19 2HB CYS 19 236.917 22.330 4.011
118 H ALA 20 H ALA 20 239.033 25.283 2.519
119 HA ALA 20 HA ALA 20 241.236 25.546 4.498
120 1HB ALA 20 2HB ALA 20 241.482 26.661 2.353
121 2HB ALA 20 3HB ALA 20 239.994 27.596 2.633
122 3HB ALA 20 1HB ALA 20 241.408 27.826 3.675
123 H SER 21 H SER 21 239.980 24.989 6.381
124 HA SER 21 HA SER 21 237.755 26.155 7.490
125 1HB SER 21 1HB SER 21 239.151 24.371 8.562
126 2HB SER 21 2HB SER 21 240.324 25.617 9.022
127 HG SER 21 HG SER 21 237.572 25.529 9.814
128 H GLY 22 H GLY 22 237.169 28.216 7.563
129 1HA GLY 22 1HA GLY 22 237.981 30.618 8.559
130 2HA GLY 22 2HA GLY 22 239.168 30.369 7.272
131 H THR 23 H THR 23 237.938 29.229 5.304
132 HA THR 23 HA THR 23 235.255 30.359 4.697
133 HB THR 23 HB THR 23 235.263 29.018 2.695
134 HG1 THR 23 HG1 THR 23 237.579 27.891 3.833
135 1HG2 THR 23 2HG2 THR 23 236.554 31.164 2.611
136 2HG2 THR 23 3HG2 THR 23 238.039 30.271 2.962
137 3HG2 THR 23 1HG2 THR 23 237.137 29.941 1.465
138 H THR 24 H THR 24 233.456 28.929 4.677
139 HA THR 24 HA THR 24 233.479 27.208 7.065
140 HB THR 24 HB THR 24 231.105 27.625 7.188
141 HG1 THR 24 HG1 THR 24 231.476 29.155 4.843
142 1HG2 THR 24 2HG2 THR 24 232.691 29.320 8.101
143 2HG2 THR 24 3HG2 THR 24 232.610 30.216 6.576
144 3HG2 THR 24 1HG2 THR 24 231.150 30.025 7.559
145 H CYS 25 H CYS 25 230.860 26.666 5.003
146 HA CYS 25 HA CYS 25 230.957 24.395 3.598
147 1HB CYS 25 1HB CYS 25 231.473 23.590 6.440
148 2HB CYS 25 2HB CYS 25 230.375 22.578 5.541
149 H GLN 26 H GLN 26 229.157 26.604 4.036
150 HA GLN 26 HA GLN 26 226.800 25.553 5.509
151 1HB GLN 26 1HB GLN 26 226.078 27.832 5.720
152 2HB GLN 26 2HB GLN 26 227.739 27.603 6.277
153 1HG GLN 26 2HG GLN 26 228.523 28.546 4.018
154 2HG GLN 26 1HG GLN 26 226.845 28.964 3.687
155 1HE2 GLN 26 2HE2 GLN 26 229.027 31.437 5.957
156 2HE2 GLN 26 1HE2 GLN 26 229.772 30.023 5.207
157 H VAL 27 H VAL 27 224.638 25.839 4.868
158 HA VAL 27 HA VAL 27 223.992 24.559 2.445
159 HB VAL 27 HB VAL 27 222.234 26.110 4.342
160 1HG1 VAL 27 1HG2 VAL 27 221.475 24.030 2.236
161 2HG1 VAL 27 2HG2 VAL 27 220.390 24.727 3.455
162 3HG1 VAL 27 3HG2 VAL 27 221.057 25.755 2.189
163 1HG2 VAL 27 2HG1 VAL 27 223.496 24.205 5.409
164 2HG2 VAL 27 3HG1 VAL 27 221.760 23.897 5.327
165 3HG2 VAL 27 1HG1 VAL 27 222.849 23.118 4.166
166 H LEU 28 H LEU 28 224.192 25.324 0.404
167 HA LEU 28 HA LEU 28 222.930 27.984 -0.286
168 1HB LEU 28 1HB LEU 28 225.267 26.549 -1.571
169 2HB LEU 28 2HB LEU 28 224.470 27.980 -2.251
170 HG LEU 28 HG LEU 28 226.005 27.888 0.380
171 1HD1 LEU 28 3HD1 LEU 28 227.246 27.666 -1.802
172 2HD1 LEU 28 1HD1 LEU 28 226.636 29.252 -2.283
173 3HD1 LEU 28 2HD1 LEU 28 227.698 29.091 -0.865
174 1HD2 LEU 28 1HD2 LEU 28 224.719 30.255 -1.077
175 2HD2 LEU 28 2HD2 LEU 28 224.227 29.631 0.512
176 3HD2 LEU 28 3HD2 LEU 28 225.812 30.373 0.311
177 H ASN 29 H ASN 29 223.564 24.710 -1.584
178 HA ASN 29 HA ASN 29 221.179 24.953 -3.384
179 1HB ASN 29 1HB ASN 29 222.695 24.181 -5.280
180 2HB ASN 29 2HB ASN 29 222.964 25.808 -4.691
181 1HD2 ASN 29 2HD2 ASN 29 226.370 25.148 -4.003
182 2HD2 ASN 29 1HD2 ASN 29 225.110 26.343 -4.228
183 HA PRO 30 HA PRO 30 220.513 20.639 -2.464
184 1HB PRO 30 1HB PRO 30 219.195 19.650 -4.631
185 2HB PRO 30 2HB PRO 30 218.514 20.933 -3.611
186 1HG PRO 30 2HG PRO 30 220.098 21.299 -6.173
187 2HG PRO 30 1HG PRO 30 218.466 21.929 -5.816
188 1HD PRO 30 1HD PRO 30 220.622 23.489 -5.435
189 2HD PRO 30 2HD PRO 30 219.330 23.488 -4.211
190 H TYR 31 H TYR 31 223.087 21.010 -2.906
191 HA TYR 31 HA TYR 31 224.097 18.407 -3.627
192 1HB TYR 31 2HB TYR 31 225.464 20.767 -5.016
193 2HB TYR 31 1HB TYR 31 225.828 19.064 -5.142
194 HD1 TYR 31 HD2 TYR 31 223.531 21.788 -6.128
195 HD2 TYR 31 HD1 TYR 31 224.559 17.633 -6.678
196 HE1 TYR 31 HE2 TYR 31 221.999 21.670 -8.082
197 HE2 TYR 31 HE1 TYR 31 223.026 17.527 -8.651
198 HH TYR 31 HH TYR 31 221.206 20.390 -9.736
199 H ALA 32 H ALA 32 225.391 21.678 -3.271
200 HA ALA 32 HA ALA 32 227.059 20.931 -0.957
201 1HB ALA 32 2HB ALA 32 228.017 21.941 -3.046
202 2HB ALA 32 3HB ALA 32 227.160 23.438 -2.636
203 3HB ALA 32 1HB ALA 32 228.391 22.781 -1.535
204 H SER 33 H SER 33 225.878 21.070 0.835
205 HA SER 33 HA SER 33 225.896 23.780 1.950
206 1HB SER 33 1HB SER 33 226.515 22.551 4.048
207 2HB SER 33 2HB SER 33 224.996 22.040 3.333
208 HG SER 33 HG SER 33 227.485 20.673 3.168
209 H GLN 34 H GLN 34 227.738 24.966 1.920
210 HA GLN 34 HA GLN 34 229.977 23.879 0.296
211 1HB GLN 34 2HB GLN 34 227.922 24.898 -0.885
212 2HB GLN 34 1HB GLN 34 228.405 26.431 -0.190
213 1HG GLN 34 1HG GLN 34 230.609 26.260 -1.405
214 2HG GLN 34 2HG GLN 34 230.116 24.688 -2.043
215 1HE2 GLN 34 2HE2 GLN 34 228.987 27.875 -4.103
216 2HE2 GLN 34 1HE2 GLN 34 230.091 28.037 -2.734
217 H CYS 35 H CYS 35 231.966 24.792 0.422
218 HA CYS 35 HA CYS 35 232.735 26.510 2.624
219 1HB CYS 35 2HB CYS 35 234.287 25.433 0.250
220 2HB CYS 35 1HB CYS 35 234.970 26.430 1.539
221 H LEU 36 H LEU 36 231.320 28.303 2.308
222 HA LEU 36 HA LEU 36 232.650 30.459 0.706
223 1HB LEU 36 1HB LEU 36 230.166 30.615 2.460
224 2HB LEU 36 2HB LEU 36 230.921 31.942 1.568
225 HG LEU 36 HG LEU 36 229.552 29.498 0.370
226 1HD1 LEU 36 1HD2 LEU 36 228.919 32.490 0.442
227 2HD1 LEU 36 2HD2 LEU 36 228.027 31.328 -0.547
228 3HD1 LEU 36 3HD2 LEU 36 227.992 31.193 1.222
229 1HD2 LEU 36 1HD1 LEU 36 231.016 31.783 -1.022
230 2HD2 LEU 36 2HD1 LEU 36 231.415 30.050 -1.110
231 3HD2 LEU 36 3HD1 LEU 36 229.921 30.642 -1.832
No H/Q in entry = 231
Start of MODEL 15
1 1H THR 1 1H THR 1 244.452 22.275 -3.082
2 2H THR 1 2H THR 1 244.700 21.157 -1.890
3 3H THR 1 3H THR 1 243.578 20.866 -3.086
4 HA THR 1 HA THR 1 242.378 21.404 -1.236
5 HB THR 1 HB THR 1 244.169 23.810 -0.660
6 HG1 THR 1 HG1 THR 1 245.021 22.209 0.929
7 1HG2 THR 1 2HG2 THR 1 241.980 23.771 0.555
8 2HG2 THR 1 3HG2 THR 1 242.362 22.167 1.195
9 3HG2 THR 1 1HG2 THR 1 243.354 23.559 1.634
10 H GLN 2 H GLN 2 240.440 22.625 -1.307
11 HA GLN 2 HA GLN 2 240.200 24.699 -3.412
12 1HB GLN 2 2HB GLN 2 238.259 23.096 -1.718
13 2HB GLN 2 1HB GLN 2 237.715 24.604 -2.425
14 1HG GLN 2 1HG GLN 2 238.958 22.396 -4.103
15 2HG GLN 2 2HG GLN 2 237.233 22.510 -3.761
16 1HE2 GLN 2 2HE2 GLN 2 236.799 24.755 -6.453
17 2HE2 GLN 2 1HE2 GLN 2 236.064 23.505 -5.454
18 H SER 3 H SER 3 239.227 26.700 -3.017
19 HA SER 3 HA SER 3 239.627 27.926 -0.290
20 1HB SER 3 1HB SER 3 240.931 28.984 -2.102
21 2HB SER 3 2HB SER 3 239.442 29.265 -3.025
22 HG SER 3 HG SER 3 240.107 31.103 -1.711
23 H HIS 4 H HIS 4 237.765 30.093 -1.123
24 HA HIS 4 HA HIS 4 235.271 29.227 -0.221
25 1HB HIS 4 2HB HIS 4 236.185 31.528 -1.984
26 2HB HIS 4 1HB HIS 4 234.461 31.240 -1.775
27 HD2 HIS 4 HD2 HIS 4 233.754 30.809 1.051
28 HE1 HIS 4 HE1 HIS 4 236.392 33.897 2.192
29 HE2 HIS 4 HE2 HIS 4 234.431 32.370 2.974
30 H TYR 5 H TYR 5 233.368 28.605 -1.029
31 HA TYR 5 HA TYR 5 231.755 27.815 -2.329
32 1HB TYR 5 2HB TYR 5 233.355 28.273 -4.844
33 2HB TYR 5 1HB TYR 5 231.615 28.203 -4.659
34 HD1 TYR 5 HD2 TYR 5 230.714 29.976 -2.706
35 HD2 TYR 5 HD1 TYR 5 234.233 30.447 -5.173
36 HE1 TYR 5 HE2 TYR 5 230.777 32.406 -2.171
37 HE2 TYR 5 HE1 TYR 5 234.299 32.864 -4.601
38 HH TYR 5 HH TYR 5 233.417 34.492 -3.305
39 H GLY 6 H GLY 6 234.439 26.072 -1.840
40 1HA GLY 6 2HA GLY 6 234.143 23.765 -3.483
41 2HA GLY 6 1HA GLY 6 234.836 23.786 -1.868
42 H GLN 7 H GLN 7 233.246 21.670 -3.015
43 HA GLN 7 HA GLN 7 230.534 21.754 -1.921
44 1HB GLN 7 1HB GLN 7 231.149 20.726 -4.141
45 2HB GLN 7 2HB GLN 7 232.061 19.488 -3.269
46 1HG GLN 7 2HG GLN 7 229.917 18.790 -2.108
47 2HG GLN 7 1HG GLN 7 229.051 19.999 -3.062
48 1HE2 GLN 7 2HE2 GLN 7 228.323 17.054 -4.944
49 2HE2 GLN 7 1HE2 GLN 7 227.728 18.091 -3.646
50 H CYS 8 H CYS 8 229.819 20.891 0.007
51 HA CYS 8 HA CYS 8 231.463 18.793 1.378
52 1HB CYS 8 1HB CYS 8 229.973 20.960 2.849
53 2HB CYS 8 2HB CYS 8 231.144 19.790 3.461
54 H GLY 9 H GLY 9 228.372 19.304 0.058
55 1HA GLY 9 2HA GLY 9 227.371 16.778 1.044
56 2HA GLY 9 1HA GLY 9 226.679 18.091 1.978
57 H GLY 10 H GLY 10 224.898 17.441 -1.524
58 1HA GLY 10 1HA GLY 10 227.372 16.038 -1.349
59 2HA GLY 10 2HA GLY 10 226.254 15.249 -0.225
60 H ILE 11 H ILE 11 225.007 16.497 -3.331
61 HA ILE 11 HA ILE 11 224.302 13.803 -4.215
62 HB ILE 11 HB ILE 11 224.289 16.440 -5.728
63 1HG1 ILE 11 2HG1 ILE 11 222.174 14.831 -4.227
64 2HG1 ILE 11 1HG1 ILE 11 222.659 16.514 -3.990
65 1HG2 ILE 11 1HG2 ILE 11 224.555 14.505 -7.292
66 2HG2 ILE 11 2HG2 ILE 11 223.136 13.737 -6.550
67 3HG2 ILE 11 3HG2 ILE 11 222.987 15.259 -7.453
68 1HD1 ILE 11 3HD1 ILE 11 221.720 16.978 -6.337
69 2HD1 ILE 11 1HD1 ILE 11 221.012 15.354 -6.273
70 3HD1 ILE 11 2HD1 ILE 11 220.538 16.567 -5.080
71 H GLY 12 H GLY 12 225.516 12.367 -5.348
72 1HA GLY 12 1HA GLY 12 227.252 11.424 -6.560
73 2HA GLY 12 2HA GLY 12 227.826 13.027 -7.005
74 H TYR 13 H TYR 13 228.267 14.040 -4.413
75 HA TYR 13 HA TYR 13 230.902 13.181 -3.818
76 1HB TYR 13 1HB TYR 13 229.512 15.444 -3.447
77 2HB TYR 13 2HB TYR 13 229.195 14.755 -1.869
78 HD1 TYR 13 HD1 TYR 13 232.064 15.314 -4.272
79 HD2 TYR 13 HD2 TYR 13 230.657 15.638 -0.187
80 HE1 TYR 13 HE1 TYR 13 234.058 16.680 -3.674
81 HE2 TYR 13 HE2 TYR 13 232.663 17.002 0.368
82 HH TYR 13 HH TYR 13 234.086 18.516 -0.746
83 H SER 14 H SER 14 231.581 12.928 -1.438
84 HA SER 14 HA SER 14 229.744 11.330 0.268
85 1HB SER 14 2HB SER 14 231.385 9.680 0.864
86 2HB SER 14 1HB SER 14 231.136 9.681 -0.888
87 HG SER 14 HG SER 14 233.364 9.634 -0.502
88 H GLY 15 H GLY 15 233.133 11.934 0.936
89 1HA GLY 15 2HA GLY 15 232.633 14.551 2.191
90 2HA GLY 15 1HA GLY 15 232.975 13.279 3.363
91 HA PRO 16 HA PRO 16 237.286 13.992 1.509
92 1HB PRO 16 1HB PRO 16 237.816 14.380 -1.103
93 2HB PRO 16 2HB PRO 16 237.244 12.794 -0.531
94 1HG PRO 16 1HG PRO 16 235.540 15.041 -1.679
95 2HG PRO 16 2HG PRO 16 235.625 13.359 -2.269
96 1HD PRO 16 1HD PRO 16 233.689 14.105 -0.507
97 2HD PRO 16 2HD PRO 16 234.515 12.524 -0.371
98 H THR 17 H THR 17 236.023 15.981 2.729
99 HA THR 17 HA THR 17 235.700 18.441 1.229
100 HB THR 17 HB THR 17 235.143 19.460 3.378
101 HG1 THR 17 HG1 THR 17 236.646 18.425 4.679
102 1HG2 THR 17 2HG2 THR 17 233.400 18.098 2.286
103 2HG2 THR 17 3HG2 THR 17 233.921 16.673 3.214
104 3HG2 THR 17 1HG2 THR 17 233.270 18.088 4.053
105 H VAL 18 H VAL 18 238.176 18.029 0.515
106 HA VAL 18 HA VAL 18 240.154 19.271 2.299
107 HB VAL 18 HB VAL 18 240.489 18.530 -0.625
108 1HG1 VAL 18 3HG2 VAL 18 242.314 19.987 0.396
109 2HG1 VAL 18 1HG2 VAL 18 242.521 18.783 1.659
110 3HG1 VAL 18 2HG2 VAL 18 242.880 18.375 -0.030
111 1HG2 VAL 18 1HG1 VAL 18 240.998 16.859 1.886
112 2HG2 VAL 18 2HG1 VAL 18 239.771 16.514 0.654
113 3HG2 VAL 18 3HG1 VAL 18 241.480 16.410 0.239
114 H CYS 19 H CYS 19 238.555 21.101 2.493
115 HA CYS 19 HA CYS 19 238.926 23.305 0.519
116 1HB CYS 19 1HB CYS 19 236.693 22.417 2.054
117 2HB CYS 19 2HB CYS 19 237.196 23.909 2.826
118 H ALA 20 H ALA 20 238.931 25.556 1.766
119 HA ALA 20 HA ALA 20 241.309 25.712 3.478
120 1HB ALA 20 3HB ALA 20 239.340 27.822 2.505
121 2HB ALA 20 1HB ALA 20 240.825 28.149 3.418
122 3HB ALA 20 2HB ALA 20 240.919 27.418 1.806
123 H SER 21 H SER 21 241.166 27.032 5.507
124 HA SER 21 HA SER 21 238.802 26.304 7.222
125 1HB SER 21 1HB SER 21 240.806 25.116 7.924
126 2HB SER 21 2HB SER 21 241.696 26.649 8.081
127 HG SER 21 HG SER 21 240.697 25.852 10.092
128 H GLY 22 H GLY 22 238.702 27.880 9.161
129 1HA GLY 22 1HA GLY 22 237.885 30.039 9.724
130 2HA GLY 22 2HA GLY 22 238.777 30.742 8.375
131 H THR 23 H THR 23 237.867 29.578 6.170
132 HA THR 23 HA THR 23 235.046 29.991 5.684
133 HB THR 23 HB THR 23 235.448 28.723 3.613
134 HG1 THR 23 HG1 THR 23 237.070 27.261 4.701
135 1HG2 THR 23 2HG2 THR 23 236.212 31.119 3.813
136 2HG2 THR 23 3HG2 THR 23 237.856 30.528 4.095
137 3HG2 THR 23 1HG2 THR 23 237.038 30.169 2.561
138 H THR 24 H THR 24 233.372 28.490 5.577
139 HA THR 24 HA THR 24 233.708 25.977 7.152
140 HB THR 24 HB THR 24 231.448 26.210 7.828
141 HG1 THR 24 HG1 THR 24 231.307 28.460 6.086
142 1HG2 THR 24 2HG2 THR 24 233.069 27.648 9.035
143 2HG2 THR 24 3HG2 THR 24 232.693 28.986 7.930
144 3HG2 THR 24 1HG2 THR 24 231.433 28.344 8.993
145 H CYS 25 H CYS 25 230.732 25.805 5.848
146 HA CYS 25 HA CYS 25 230.917 24.045 3.605
147 1HB CYS 25 1HB CYS 25 231.659 22.838 6.271
148 2HB CYS 25 2HB CYS 25 230.688 21.873 5.180
149 H GLN 26 H GLN 26 229.010 25.751 3.943
150 HA GLN 26 HA GLN 26 226.733 24.644 5.537
151 1HB GLN 26 1HB GLN 26 228.118 26.510 6.390
152 2HB GLN 26 2HB GLN 26 227.559 27.516 5.041
153 1HG GLN 26 1HG GLN 26 225.264 27.455 5.886
154 2HG GLN 26 2HG GLN 26 225.679 26.199 7.064
155 1HE2 GLN 26 2HE2 GLN 26 227.629 29.401 8.392
156 2HE2 GLN 26 1HE2 GLN 26 228.236 28.514 6.998
157 H VAL 27 H VAL 27 224.601 24.955 4.892
158 HA VAL 27 HA VAL 27 223.856 24.238 2.416
159 HB VAL 27 HB VAL 27 221.562 24.864 2.991
160 1HG1 VAL 27 2HG2 VAL 27 222.641 22.741 3.747
161 2HG1 VAL 27 3HG2 VAL 27 223.089 23.533 5.276
162 3HG1 VAL 27 1HG2 VAL 27 221.388 23.323 4.850
163 1HG2 VAL 27 1HG1 VAL 27 222.813 26.097 5.502
164 2HG2 VAL 27 2HG1 VAL 27 221.868 26.948 4.271
165 3HG2 VAL 27 3HG1 VAL 27 221.093 25.734 5.281
166 H LEU 28 H LEU 28 224.271 25.076 0.462
167 HA LEU 28 HA LEU 28 223.352 27.864 -0.136
168 1HB LEU 28 2HB LEU 28 225.934 26.634 -0.539
169 2HB LEU 28 1HB LEU 28 225.238 26.869 -2.116
170 HG LEU 28 HG LEU 28 226.561 28.758 -1.550
171 1HD1 LEU 28 3HD2 LEU 28 224.492 29.249 -2.829
172 2HD1 LEU 28 1HD2 LEU 28 223.667 29.678 -1.317
173 3HD1 LEU 28 2HD2 LEU 28 225.058 30.613 -1.860
174 1HD2 LEU 28 2HD1 LEU 28 226.596 28.561 0.868
175 2HD2 LEU 28 3HD1 LEU 28 226.131 30.198 0.374
176 3HD2 LEU 28 1HD1 LEU 28 224.905 29.084 0.985
177 H ASN 29 H ASN 29 223.642 24.636 -1.608
178 HA ASN 29 HA ASN 29 221.279 25.072 -3.344
179 1HB ASN 29 1HB ASN 29 222.691 24.713 -5.426
180 2HB ASN 29 2HB ASN 29 223.028 26.206 -4.580
181 1HD2 ASN 29 2HD2 ASN 29 226.461 25.380 -4.410
182 2HD2 ASN 29 1HD2 ASN 29 225.235 26.622 -4.596
183 HA PRO 30 HA PRO 30 220.859 20.681 -2.926
184 1HB PRO 30 1HB PRO 30 219.523 19.839 -5.148
185 2HB PRO 30 2HB PRO 30 218.825 21.005 -4.004
186 1HG PRO 30 2HG PRO 30 220.344 21.643 -6.560
187 2HG PRO 30 1HG PRO 30 218.699 22.185 -6.120
188 1HD PRO 30 2HD PRO 30 220.799 23.775 -5.653
189 2HD PRO 30 1HD PRO 30 219.542 23.622 -4.399
190 H TYR 31 H TYR 31 223.424 21.161 -3.448
191 HA TYR 31 HA TYR 31 224.468 18.705 -4.626
192 1HB TYR 31 2HB TYR 31 225.359 21.412 -5.737
193 2HB TYR 31 1HB TYR 31 226.115 19.870 -6.074
194 HD1 TYR 31 HD2 TYR 31 224.891 18.111 -7.420
195 HD2 TYR 31 HD1 TYR 31 223.377 22.127 -6.929
196 HE1 TYR 31 HE2 TYR 31 223.398 17.793 -9.384
197 HE2 TYR 31 HE1 TYR 31 221.887 21.796 -8.907
198 HH TYR 31 HH TYR 31 221.844 18.729 -10.712
199 H ALA 32 H ALA 32 225.195 21.951 -3.415
200 HA ALA 32 HA ALA 32 227.044 20.885 -1.336
201 1HB ALA 32 2HB ALA 32 228.190 22.055 -3.200
202 2HB ALA 32 3HB ALA 32 227.265 23.513 -2.835
203 3HB ALA 32 1HB ALA 32 228.399 22.844 -1.632
204 H SER 33 H SER 33 225.768 20.886 0.440
205 HA SER 33 HA SER 33 225.769 23.528 1.744
206 1HB SER 33 1HB SER 33 224.928 21.481 2.935
207 2HB SER 33 2HB SER 33 226.574 20.843 2.961
208 HG SER 33 HG SER 33 227.091 22.449 4.429
209 H GLN 34 H GLN 34 227.563 24.741 1.854
210 HA GLN 34 HA GLN 34 229.877 23.822 0.219
211 1HB GLN 34 1HB GLN 34 227.744 24.861 -0.858
212 2HB GLN 34 2HB GLN 34 228.221 26.357 -0.073
213 1HG GLN 34 2HG GLN 34 230.400 26.270 -1.332
214 2HG GLN 34 1HG GLN 34 229.881 24.785 -2.123
215 1HE2 GLN 34 2HE2 GLN 34 228.386 28.317 -3.422
216 2HE2 GLN 34 1HE2 GLN 34 229.253 28.288 -1.886
217 H CYS 35 H CYS 35 231.826 25.018 0.329
218 HA CYS 35 HA CYS 35 232.426 26.250 2.835
219 1HB CYS 35 2HB CYS 35 234.102 26.497 0.337
220 2HB CYS 35 1HB CYS 35 234.638 26.588 2.015
221 H LEU 36 H LEU 36 231.019 27.978 3.252
222 HA LEU 36 HA LEU 36 231.811 30.613 2.062
223 1HB LEU 36 1HB LEU 36 229.691 29.997 4.152
224 2HB LEU 36 2HB LEU 36 230.210 31.591 3.616
225 HG LEU 36 HG LEU 36 228.687 29.536 1.986
226 1HD1 LEU 36 1HD2 LEU 36 228.055 32.369 2.983
227 2HD1 LEU 36 2HD2 LEU 36 226.991 31.400 1.970
228 3HD1 LEU 36 3HD2 LEU 36 227.358 30.864 3.613
229 1HD2 LEU 36 1HD1 LEU 36 229.873 32.204 1.089
230 2HD2 LEU 36 2HD1 LEU 36 230.212 30.594 0.407
231 3HD2 LEU 36 3HD1 LEU 36 228.614 31.321 0.202
No H/Q in entry = 231
Start of MODEL 16
1 1H THR 1 3H THR 1 244.221 21.219 -0.728
2 2H THR 1 1H THR 1 244.467 22.813 -0.406
3 3H THR 1 2H THR 1 244.850 21.695 0.741
4 HA THR 1 HA THR 1 242.527 21.239 1.102
5 HB THR 1 HB THR 1 241.751 23.561 1.797
6 HG1 THR 1 HG1 THR 1 242.970 25.287 1.158
7 1HG2 THR 1 2HG2 THR 1 243.514 22.346 3.215
8 2HG2 THR 1 3HG2 THR 1 244.745 23.307 2.362
9 3HG2 THR 1 1HG2 THR 1 243.498 24.110 3.324
10 H GLN 2 H GLN 2 240.221 22.180 0.705
11 HA GLN 2 HA GLN 2 239.562 22.500 -2.155
12 1HB GLN 2 2HB GLN 2 238.341 20.866 -0.939
13 2HB GLN 2 1HB GLN 2 237.984 21.962 0.389
14 1HG GLN 2 1HG GLN 2 236.486 23.300 -0.976
15 2HG GLN 2 2HG GLN 2 236.936 22.399 -2.440
16 1HE2 GLN 2 2HE2 GLN 2 233.824 20.983 -0.788
17 2HE2 GLN 2 1HE2 GLN 2 234.243 22.701 -0.695
18 H SER 3 H SER 3 238.904 24.460 -3.005
19 HA SER 3 HA SER 3 239.368 26.858 -1.307
20 1HB SER 3 1HB SER 3 240.584 26.512 -3.494
21 2HB SER 3 2HB SER 3 239.037 26.764 -4.321
22 HG SER 3 HG SER 3 240.431 28.594 -2.612
23 H HIS 4 H HIS 4 238.118 28.846 -2.255
24 HA HIS 4 HA HIS 4 235.734 28.850 -0.835
25 1HB HIS 4 1HB HIS 4 237.216 30.821 -1.526
26 2HB HIS 4 2HB HIS 4 236.389 30.796 -3.087
27 HD2 HIS 4 HD2 HIS 4 234.390 30.392 0.280
28 HE1 HIS 4 HE1 HIS 4 233.741 34.308 -1.145
29 HE2 HIS 4 HE2 HIS 4 233.039 32.590 0.615
30 H TYR 5 H TYR 5 233.535 28.696 -1.317
31 HA TYR 5 HA TYR 5 231.623 28.116 -2.380
32 1HB TYR 5 1HB TYR 5 232.918 28.452 -5.095
33 2HB TYR 5 2HB TYR 5 231.212 28.460 -4.706
34 HD1 TYR 5 HD2 TYR 5 230.218 30.411 -3.396
35 HD2 TYR 5 HD1 TYR 5 234.178 30.488 -5.115
36 HE1 TYR 5 HE2 TYR 5 230.353 32.874 -2.999
37 HE2 TYR 5 HE1 TYR 5 234.239 32.957 -4.849
38 HH TYR 5 HH TYR 5 233.210 34.749 -3.992
39 H GLY 6 H GLY 6 234.464 26.256 -3.271
40 1HA GLY 6 1HA GLY 6 233.565 24.069 -4.577
41 2HA GLY 6 2HA GLY 6 234.680 23.937 -3.215
42 H GLN 7 H GLN 7 232.472 22.171 -4.289
43 HA GLN 7 HA GLN 7 230.257 22.037 -2.517
44 1HB GLN 7 1HB GLN 7 230.450 21.131 -4.897
45 2HB GLN 7 2HB GLN 7 231.416 19.804 -4.236
46 1HG GLN 7 2HG GLN 7 229.415 19.182 -2.766
47 2HG GLN 7 1HG GLN 7 228.498 20.443 -3.594
48 1HE2 GLN 7 2HE2 GLN 7 227.706 17.183 -5.205
49 2HE2 GLN 7 1HE2 GLN 7 227.472 17.889 -3.604
50 H CYS 8 H CYS 8 229.840 20.853 -0.633
51 HA CYS 8 HA CYS 8 231.440 18.481 0.056
52 1HB CYS 8 1HB CYS 8 232.015 19.337 2.324
53 2HB CYS 8 2HB CYS 8 232.861 20.123 1.001
54 H GLY 9 H GLY 9 229.220 17.851 -0.726
55 1HA GLY 9 2HA GLY 9 227.624 16.579 1.051
56 2HA GLY 9 1HA GLY 9 226.949 18.213 1.102
57 H GLY 10 H GLY 10 224.968 17.310 0.348
58 1HA GLY 10 2HA GLY 10 223.319 16.831 -1.177
59 2HA GLY 10 1HA GLY 10 224.213 17.956 -2.173
60 H ILE 11 H ILE 11 223.644 16.974 -4.153
61 HA ILE 11 HA ILE 11 223.832 14.212 -4.792
62 HB ILE 11 HB ILE 11 224.126 16.618 -6.604
63 1HG1 ILE 11 1HG1 ILE 11 221.846 14.616 -6.180
64 2HG1 ILE 11 2HG1 ILE 11 221.894 16.256 -5.525
65 1HG2 ILE 11 2HG2 ILE 11 225.308 14.673 -7.657
66 2HG2 ILE 11 3HG2 ILE 11 223.860 13.678 -7.415
67 3HG2 ILE 11 1HG2 ILE 11 223.850 15.066 -8.516
68 1HD1 ILE 11 2HD1 ILE 11 221.970 17.161 -7.867
69 2HD1 ILE 11 3HD1 ILE 11 221.742 15.508 -8.487
70 3HD1 ILE 11 1HD1 ILE 11 220.492 16.253 -7.499
71 H GLY 12 H GLY 12 225.578 13.033 -4.209
72 1HA GLY 12 1HA GLY 12 227.277 11.811 -5.226
73 2HA GLY 12 2HA GLY 12 227.758 13.196 -6.183
74 H TYR 13 H TYR 13 228.390 15.053 -4.054
75 HA TYR 13 HA TYR 13 231.052 14.050 -3.522
76 1HB TYR 13 1HB TYR 13 230.358 16.404 -4.155
77 2HB TYR 13 2HB TYR 13 230.012 16.659 -2.457
78 HD1 TYR 13 HD1 TYR 13 232.010 16.465 -0.773
79 HD2 TYR 13 HD2 TYR 13 232.595 16.278 -5.055
80 HE1 TYR 13 HE1 TYR 13 234.374 17.173 -0.488
81 HE2 TYR 13 HE2 TYR 13 234.970 16.971 -4.736
82 HH TYR 13 HH TYR 13 236.105 18.279 -1.752
83 H SER 14 H SER 14 230.175 12.178 -2.263
84 HA SER 14 HA SER 14 230.639 12.608 0.679
85 1HB SER 14 2HB SER 14 230.530 10.042 -0.972
86 2HB SER 14 1HB SER 14 230.818 10.146 0.768
87 HG SER 14 HG SER 14 228.494 11.205 -0.485
88 H GLY 15 H GLY 15 232.534 13.986 0.124
89 1HA GLY 15 1HA GLY 15 234.967 12.466 -0.803
90 2HA GLY 15 2HA GLY 15 234.386 13.910 -1.645
91 HA PRO 16 HA PRO 16 237.777 14.774 1.441
92 1HB PRO 16 1HB PRO 16 238.893 16.335 -0.895
93 2HB PRO 16 2HB PRO 16 239.736 15.317 0.304
94 1HG PRO 16 2HG PRO 16 239.236 14.366 -2.183
95 2HG PRO 16 1HG PRO 16 238.933 13.315 -0.768
96 1HD PRO 16 2HD PRO 16 236.901 14.990 -2.285
97 2HD PRO 16 1HD PRO 16 236.823 13.270 -1.855
98 H THR 17 H THR 17 236.074 15.963 2.546
99 HA THR 17 HA THR 17 235.179 18.564 1.990
100 HB THR 17 HB THR 17 234.430 18.621 4.329
101 HG1 THR 17 HG1 THR 17 235.081 16.916 5.711
102 1HG2 THR 17 2HG2 THR 17 233.307 17.062 2.629
103 2HG2 THR 17 3HG2 THR 17 234.176 15.734 3.423
104 3HG2 THR 17 1HG2 THR 17 233.033 16.714 4.349
105 H VAL 18 H VAL 18 238.271 18.445 2.074
106 HA VAL 18 HA VAL 18 239.044 19.775 4.549
107 HB VAL 18 HB VAL 18 240.782 19.082 2.150
108 1HG1 VAL 18 1HG2 VAL 18 241.427 19.379 5.127
109 2HG1 VAL 18 2HG2 VAL 18 242.567 18.883 3.864
110 3HG1 VAL 18 3HG2 VAL 18 241.913 20.523 3.865
111 1HG2 VAL 18 1HG1 VAL 18 239.981 17.320 4.510
112 2HG2 VAL 18 2HG1 VAL 18 239.660 17.003 2.794
113 3HG2 VAL 18 3HG1 VAL 18 241.314 16.971 3.396
114 H CYS 19 H CYS 19 237.513 21.605 3.873
115 HA CYS 19 HA CYS 19 238.074 23.568 1.957
116 1HB CYS 19 1HB CYS 19 235.938 23.254 3.150
117 2HB CYS 19 2HB CYS 19 236.690 23.844 4.632
118 H ALA 20 H ALA 20 238.722 25.877 2.295
119 HA ALA 20 HA ALA 20 241.301 26.206 3.592
120 1HB ALA 20 2HB ALA 20 240.754 27.328 1.499
121 2HB ALA 20 3HB ALA 20 239.422 28.202 2.279
122 3HB ALA 20 1HB ALA 20 241.092 28.522 2.768
123 H SER 21 H SER 21 240.348 25.406 5.692
124 HA SER 21 HA SER 21 238.999 26.130 7.710
125 1HB SER 21 1HB SER 21 240.988 24.830 8.038
126 2HB SER 21 2HB SER 21 242.030 26.251 7.824
127 HG SER 21 HG SER 21 241.089 27.137 9.717
128 H GLY 22 H GLY 22 237.896 28.060 7.294
129 1HA GLY 22 1HA GLY 22 238.254 30.546 8.549
130 2HA GLY 22 2HA GLY 22 239.241 30.604 7.073
131 H THR 23 H THR 23 238.002 29.392 5.183
132 HA THR 23 HA THR 23 235.084 29.997 5.118
133 HB THR 23 HB THR 23 235.037 29.171 2.871
134 HG1 THR 23 HG1 THR 23 236.859 28.573 1.796
135 1HG2 THR 23 3HG2 THR 23 235.729 31.569 3.255
136 2HG2 THR 23 1HG2 THR 23 237.420 31.067 3.164
137 3HG2 THR 23 2HG2 THR 23 236.374 30.897 1.745
138 H THR 24 H THR 24 233.679 28.173 4.785
139 HA THR 24 HA THR 24 234.426 26.044 6.757
140 HB THR 24 HB THR 24 232.319 26.427 7.792
141 HG1 THR 24 HG1 THR 24 231.802 28.338 5.748
142 1HG2 THR 24 2HG2 THR 24 234.125 28.026 8.375
143 2HG2 THR 24 3HG2 THR 24 233.550 29.146 7.127
144 3HG2 THR 24 1HG2 THR 24 232.519 28.765 8.505
145 H CYS 25 H CYS 25 231.261 25.817 5.838
146 HA CYS 25 HA CYS 25 231.070 24.127 3.661
147 1HB CYS 25 1HB CYS 25 232.531 22.468 4.820
148 2HB CYS 25 2HB CYS 25 231.316 22.347 6.094
149 H GLN 26 H GLN 26 229.352 25.674 3.792
150 HA GLN 26 HA GLN 26 227.237 25.395 5.822
151 1HB GLN 26 1HB GLN 26 228.842 27.514 4.889
152 2HB GLN 26 2HB GLN 26 227.295 27.852 4.145
153 1HG GLN 26 2HG GLN 26 226.198 27.910 6.316
154 2HG GLN 26 1HG GLN 26 227.618 27.229 7.124
155 1HE2 GLN 26 2HE2 GLN 26 229.469 30.342 6.902
156 2HE2 GLN 26 1HE2 GLN 26 229.793 28.638 6.620
157 H VAL 27 H VAL 27 225.136 24.955 5.376
158 HA VAL 27 HA VAL 27 224.379 23.709 2.958
159 HB VAL 27 HB VAL 27 222.617 24.658 5.209
160 1HG1 VAL 27 1HG2 VAL 27 222.176 22.524 3.055
161 2HG1 VAL 27 2HG2 VAL 27 221.092 22.855 4.421
162 3HG1 VAL 27 3HG2 VAL 27 221.305 24.069 3.160
163 1HG2 VAL 27 1HG1 VAL 27 224.003 21.977 4.732
164 2HG2 VAL 27 2HG1 VAL 27 224.405 23.127 6.018
165 3HG2 VAL 27 3HG1 VAL 27 222.838 22.321 6.022
166 H LEU 28 H LEU 28 224.320 24.840 1.028
167 HA LEU 28 HA LEU 28 222.535 27.264 0.822
168 1HB LEU 28 1HB LEU 28 224.771 26.326 -1.007
169 2HB LEU 28 2HB LEU 28 223.737 27.743 -1.266
170 HG LEU 28 HG LEU 28 225.804 27.377 0.926
171 1HD1 LEU 28 2HD1 LEU 28 226.525 27.867 -1.450
172 2HD1 LEU 28 3HD1 LEU 28 225.618 29.381 -1.378
173 3HD1 LEU 28 1HD1 LEU 28 226.989 29.102 -0.280
174 1HD2 LEU 28 2HD2 LEU 28 223.899 29.713 0.399
175 2HD2 LEU 28 3HD2 LEU 28 223.930 28.701 1.861
176 3HD2 LEU 28 1HD2 LEU 28 225.291 29.766 1.498
177 H ASN 29 H ASN 29 223.358 24.263 -0.985
178 HA ASN 29 HA ASN 29 220.787 24.473 -2.476
179 1HB ASN 29 1HB ASN 29 222.004 24.639 -4.646
180 2HB ASN 29 2HB ASN 29 222.315 26.005 -3.594
181 1HD2 ASN 29 2HD2 ASN 29 225.815 25.431 -3.761
182 2HD2 ASN 29 1HD2 ASN 29 224.520 26.516 -3.337
183 HA PRO 30 HA PRO 30 220.548 20.139 -2.644
184 1HB PRO 30 1HB PRO 30 219.968 19.540 -5.347
185 2HB PRO 30 2HB PRO 30 218.825 20.050 -4.085
186 1HG PRO 30 2HG PRO 30 220.257 21.788 -6.110
187 2HG PRO 30 1HG PRO 30 218.525 21.811 -5.670
188 1HD PRO 30 1HD PRO 30 220.144 23.626 -4.624
189 2HD PRO 30 2HD PRO 30 219.025 22.808 -3.523
190 H TYR 31 H TYR 31 223.106 21.474 -4.610
191 HA TYR 31 HA TYR 31 224.539 18.865 -4.753
192 1HB TYR 31 2HB TYR 31 225.393 21.622 -5.708
193 2HB TYR 31 1HB TYR 31 226.261 20.114 -5.931
194 HD1 TYR 31 HD1 TYR 31 223.187 21.999 -6.867
195 HD2 TYR 31 HD2 TYR 31 225.601 18.496 -7.627
196 HE1 TYR 31 HE1 TYR 31 221.752 21.429 -8.818
197 HE2 TYR 31 HE2 TYR 31 224.180 17.961 -9.607
198 HH TYR 31 HH TYR 31 221.477 20.055 -10.586
199 H ALA 32 H ALA 32 224.826 22.076 -3.213
200 HA ALA 32 HA ALA 32 227.059 21.050 -1.506
201 1HB ALA 32 2HB ALA 32 227.666 22.664 -3.276
202 2HB ALA 32 3HB ALA 32 226.625 23.864 -2.491
203 3HB ALA 32 1HB ALA 32 228.039 23.211 -1.640
204 H SER 33 H SER 33 226.436 20.690 0.427
205 HA SER 33 HA SER 33 226.128 23.202 1.927
206 1HB SER 33 1HB SER 33 225.788 21.046 3.238
207 2HB SER 33 2HB SER 33 227.511 20.712 2.989
208 HG SER 33 HG SER 33 227.839 22.180 4.556
209 H GLN 34 H GLN 34 227.859 24.505 2.021
210 HA GLN 34 HA GLN 34 229.858 23.951 -0.124
211 1HB GLN 34 2HB GLN 34 227.602 25.215 -0.556
212 2HB GLN 34 1HB GLN 34 228.349 26.562 0.288
213 1HG GLN 34 1HG GLN 34 230.222 26.572 -1.321
214 2HG GLN 34 2HG GLN 34 229.661 25.063 -2.046
215 1HE2 GLN 34 2HE2 GLN 34 228.258 28.357 -3.680
216 2HE2 GLN 34 1HE2 GLN 34 229.607 28.402 -2.543
217 H CYS 35 H CYS 35 231.884 24.734 -0.054
218 HA CYS 35 HA CYS 35 233.014 25.705 2.426
219 1HB CYS 35 1HB CYS 35 234.136 24.175 0.956
220 2HB CYS 35 2HB CYS 35 234.080 25.329 -0.388
221 H LEU 36 H LEU 36 231.331 27.570 2.463
222 HA LEU 36 HA LEU 36 232.382 30.116 1.325
223 1HB LEU 36 1HB LEU 36 229.901 29.674 3.043
224 2HB LEU 36 2HB LEU 36 230.531 31.202 2.452
225 HG LEU 36 HG LEU 36 229.044 29.088 0.951
226 1HD1 LEU 36 3HD2 LEU 36 227.895 31.135 1.828
227 2HD1 LEU 36 1HD2 LEU 36 229.018 32.155 0.907
228 3HD1 LEU 36 2HD2 LEU 36 227.880 31.111 0.057
229 1HD2 LEU 36 1HD1 LEU 36 230.954 31.046 -0.395
230 2HD2 LEU 36 2HD1 LEU 36 231.037 29.268 -0.429
231 3HD2 LEU 36 3HD1 LEU 36 229.685 30.103 -1.201
No H/Q in entry = 231
Start of MODEL 17
1 1H THR 1 3H THR 1 240.991 18.000 -1.707
2 2H THR 1 1H THR 1 241.200 17.563 -0.115
3 3H THR 1 2H THR 1 239.703 17.530 -0.759
4 HA THR 1 HA THR 1 239.693 19.360 0.537
5 HB THR 1 HB THR 1 242.472 20.166 -0.427
6 HG1 THR 1 HG1 THR 1 242.932 19.261 1.751
7 1HG2 THR 1 3HG2 THR 1 240.730 21.002 1.945
8 2HG2 THR 1 1HG2 THR 1 242.441 21.411 1.786
9 3HG2 THR 1 2HG2 THR 1 241.282 22.052 0.630
10 H GLN 2 H GLN 2 239.039 21.565 0.140
11 HA GLN 2 HA GLN 2 239.181 22.662 -2.619
12 1HB GLN 2 2HB GLN 2 236.710 22.159 -0.913
13 2HB GLN 2 1HB GLN 2 236.727 23.363 -2.186
14 1HG GLN 2 1HG GLN 2 237.539 20.540 -2.951
15 2HG GLN 2 2HG GLN 2 235.851 20.889 -2.607
16 1HE2 GLN 2 2HE2 GLN 2 237.355 22.437 -6.023
17 2HE2 GLN 2 1HE2 GLN 2 238.528 21.767 -4.882
18 H SER 3 H SER 3 238.295 24.983 -2.535
19 HA SER 3 HA SER 3 238.843 26.415 0.029
20 1HB SER 3 1HB SER 3 240.812 26.694 -1.493
21 2HB SER 3 2HB SER 3 239.737 27.370 -2.727
22 HG SER 3 HG SER 3 240.177 28.462 -0.111
23 H HIS 4 H HIS 4 238.183 28.954 -1.455
24 HA HIS 4 HA HIS 4 235.574 29.262 -0.646
25 1HB HIS 4 1HB HIS 4 237.236 31.058 -1.269
26 2HB HIS 4 2HB HIS 4 236.852 30.778 -2.967
27 HD2 HIS 4 HD2 HIS 4 234.531 31.314 0.200
28 HE1 HIS 4 HE1 HIS 4 233.455 34.115 -2.782
29 HE2 HIS 4 HE2 HIS 4 232.937 33.299 -0.406
30 H TYR 5 H TYR 5 233.550 29.032 -1.435
31 HA TYR 5 HA TYR 5 231.848 27.999 -2.426
32 1HB TYR 5 2HB TYR 5 233.230 28.723 -5.029
33 2HB TYR 5 1HB TYR 5 231.536 28.313 -4.863
34 HD1 TYR 5 HD2 TYR 5 230.667 29.873 -2.457
35 HD2 TYR 5 HD1 TYR 5 233.180 30.977 -5.806
36 HE1 TYR 5 HE2 TYR 5 229.865 32.208 -2.301
37 HE2 TYR 5 HE1 TYR 5 232.330 33.311 -5.647
38 HH TYR 5 HH TYR 5 229.939 34.279 -3.193
39 H GLY 6 H GLY 6 234.244 26.275 -1.863
40 1HA GLY 6 1HA GLY 6 234.106 23.996 -3.559
41 2HA GLY 6 2HA GLY 6 234.657 24.035 -1.886
42 H GLN 7 H GLN 7 232.746 22.295 -3.699
43 HA GLN 7 HA GLN 7 230.339 22.012 -2.144
44 1HB GLN 7 1HB GLN 7 230.335 21.418 -4.447
45 2HB GLN 7 2HB GLN 7 231.639 20.241 -4.235
46 1HG GLN 7 2HG GLN 7 230.154 18.804 -2.877
47 2HG GLN 7 1HG GLN 7 228.844 19.990 -3.000
48 1HE2 GLN 7 2HE2 GLN 7 228.165 17.305 -5.469
49 2HE2 GLN 7 1HE2 GLN 7 228.219 17.416 -3.716
50 H CYS 8 H CYS 8 230.076 21.083 -0.239
51 HA CYS 8 HA CYS 8 231.075 18.317 0.178
52 1HB CYS 8 1HB CYS 8 230.950 19.197 2.780
53 2HB CYS 8 2HB CYS 8 232.392 18.982 1.827
54 H GLY 9 H GLY 9 229.057 18.193 -1.060
55 1HA GLY 9 2HA GLY 9 226.896 17.362 0.734
56 2HA GLY 9 1HA GLY 9 226.432 18.634 -0.396
57 H GLY 10 H GLY 10 225.029 16.458 -0.624
58 1HA GLY 10 1HA GLY 10 225.947 14.033 -1.319
59 2HA GLY 10 2HA GLY 10 224.349 14.595 -1.775
60 H ILE 11 H ILE 11 224.776 16.262 -3.933
61 HA ILE 11 HA ILE 11 224.552 14.281 -5.864
62 HB ILE 11 HB ILE 11 224.923 17.260 -6.225
63 1HG1 ILE 11 2HG1 ILE 11 222.544 15.336 -6.131
64 2HG1 ILE 11 1HG1 ILE 11 222.904 16.669 -5.029
65 1HG2 ILE 11 2HG2 ILE 11 225.614 16.122 -8.341
66 2HG2 ILE 11 3HG2 ILE 11 224.082 15.223 -8.342
67 3HG2 ILE 11 1HG2 ILE 11 224.112 16.989 -8.534
68 1HD1 ILE 11 2HD1 ILE 11 222.527 18.261 -6.960
69 2HD1 ILE 11 3HD1 ILE 11 221.962 16.875 -7.920
70 3HD1 ILE 11 1HD1 ILE 11 221.100 17.337 -6.454
71 H GLY 12 H GLY 12 225.901 12.966 -6.781
72 1HA GLY 12 1HA GLY 12 227.757 11.958 -7.663
73 2HA GLY 12 2HA GLY 12 228.191 13.544 -8.309
74 H TYR 13 H TYR 13 228.022 12.673 -4.843
75 HA TYR 13 HA TYR 13 230.927 13.329 -4.618
76 1HB TYR 13 1HB TYR 13 228.737 15.023 -4.159
77 2HB TYR 13 2HB TYR 13 229.081 14.421 -2.565
78 HD1 TYR 13 HD1 TYR 13 230.788 15.788 -5.626
79 HD2 TYR 13 HD2 TYR 13 230.687 15.706 -1.306
80 HE1 TYR 13 HE1 TYR 13 232.726 17.357 -5.545
81 HE2 TYR 13 HE2 TYR 13 232.660 17.228 -1.246
82 HH TYR 13 HH TYR 13 233.686 18.872 -2.611
83 H SER 14 H SER 14 231.634 13.451 -2.379
84 HA SER 14 HA SER 14 230.688 11.632 -0.347
85 1HB SER 14 2HB SER 14 233.196 10.796 -1.865
86 2HB SER 14 1HB SER 14 232.876 10.282 -0.198
87 HG SER 14 HG SER 14 230.846 9.913 -2.099
88 H GLY 15 H GLY 15 233.517 13.495 -1.459
89 1HA GLY 15 2HA GLY 15 234.213 15.512 -0.598
90 2HA GLY 15 1HA GLY 15 233.136 15.319 0.768
91 HA PRO 16 HA PRO 16 237.685 14.132 2.099
92 1HB PRO 16 1HB PRO 16 238.958 14.508 -0.638
93 2HB PRO 16 2HB PRO 16 239.520 13.510 0.731
94 1HG PRO 16 2HG PRO 16 238.258 12.327 -1.339
95 2HG PRO 16 1HG PRO 16 237.745 11.911 0.321
96 1HD PRO 16 2HD PRO 16 236.453 13.948 -1.552
97 2HD PRO 16 1HD PRO 16 235.700 12.591 -0.659
98 H THR 17 H THR 17 236.402 16.219 2.582
99 HA THR 17 HA THR 17 237.610 18.732 1.471
100 HB THR 17 HB THR 17 235.174 19.537 1.249
101 HG1 THR 17 HG1 THR 17 234.099 17.903 2.326
102 1HG2 THR 17 2HG2 THR 17 236.562 18.997 -0.693
103 2HG2 THR 17 3HG2 THR 17 236.094 17.284 -0.573
104 3HG2 THR 17 1HG2 THR 17 234.874 18.517 -0.905
105 H VAL 18 H VAL 18 238.409 18.040 3.969
106 HA VAL 18 HA VAL 18 237.231 19.984 5.829
107 HB VAL 18 HB VAL 18 240.028 18.800 5.628
108 1HG1 VAL 18 1HG2 VAL 18 238.728 20.450 7.853
109 2HG1 VAL 18 2HG2 VAL 18 240.304 19.638 7.953
110 3HG1 VAL 18 3HG2 VAL 18 240.078 20.977 6.828
111 1HG2 VAL 18 2HG1 VAL 18 238.286 17.101 6.167
112 2HG2 VAL 18 3HG1 VAL 18 239.320 17.428 7.560
113 3HG2 VAL 18 1HG1 VAL 18 237.692 18.128 7.485
114 H CYS 19 H CYS 19 236.809 21.822 4.617
115 HA CYS 19 HA CYS 19 238.409 22.758 2.522
116 1HB CYS 19 1HB CYS 19 235.831 23.160 3.339
117 2HB CYS 19 2HB CYS 19 236.509 24.736 3.731
118 H ALA 20 H ALA 20 239.056 25.121 2.165
119 HA ALA 20 HA ALA 20 241.330 25.749 3.749
120 1HB ALA 20 2HB ALA 20 241.102 26.292 1.367
121 2HB ALA 20 3HB ALA 20 239.858 27.504 1.761
122 3HB ALA 20 1HB ALA 20 241.523 27.716 2.332
123 H SER 21 H SER 21 240.305 25.745 5.902
124 HA SER 21 HA SER 21 238.700 27.379 7.231
125 1HB SER 21 1HB SER 21 240.177 25.788 8.314
126 2HB SER 21 2HB SER 21 241.573 26.861 8.104
127 HG SER 21 HG SER 21 240.558 28.344 9.516
128 H GLY 22 H GLY 22 238.255 29.428 7.574
129 1HA GLY 22 1HA GLY 22 238.898 31.922 7.448
130 2HA GLY 22 2HA GLY 22 239.842 31.457 6.027
131 H THR 23 H THR 23 238.270 29.580 4.862
132 HA THR 23 HA THR 23 235.555 30.721 4.308
133 HB THR 23 HB THR 23 235.526 29.439 2.246
134 HG1 THR 23 HG1 THR 23 238.062 28.548 3.133
135 1HG2 THR 23 2HG2 THR 23 236.552 31.674 2.136
136 2HG2 THR 23 3HG2 THR 23 238.153 30.992 2.480
137 3HG2 THR 23 1HG2 THR 23 237.312 30.557 0.985
138 H THR 24 H THR 24 233.778 29.338 4.443
139 HA THR 24 HA THR 24 234.096 27.041 6.338
140 HB THR 24 HB THR 24 232.362 28.002 7.671
141 HG1 THR 24 HG1 THR 24 232.264 30.055 5.710
142 1HG2 THR 24 2HG2 THR 24 234.678 28.831 8.072
143 2HG2 THR 24 3HG2 THR 24 234.382 30.181 6.955
144 3HG2 THR 24 1HG2 THR 24 233.443 30.056 8.443
145 H CYS 25 H CYS 25 233.269 25.203 5.611
146 HA CYS 25 HA CYS 25 231.365 24.818 3.536
147 1HB CYS 25 1HB CYS 25 233.064 23.190 4.132
148 2HB CYS 25 2HB CYS 25 232.307 22.944 5.709
149 H GLN 26 H GLN 26 229.435 26.092 4.016
150 HA GLN 26 HA GLN 26 227.664 24.973 6.181
151 1HB GLN 26 1HB GLN 26 227.929 27.826 5.179
152 2HB GLN 26 2HB GLN 26 226.735 27.252 6.355
153 1HG GLN 26 2HG GLN 26 228.664 26.392 7.784
154 2HG GLN 26 1HG GLN 26 229.770 27.227 6.695
155 1HE2 GLN 26 2HE2 GLN 26 229.247 30.261 8.453
156 2HE2 GLN 26 1HE2 GLN 26 230.218 29.429 7.235
157 H VAL 27 H VAL 27 225.501 24.711 5.914
158 HA VAL 27 HA VAL 27 224.657 23.720 3.418
159 HB VAL 27 HB VAL 27 222.441 23.409 4.507
160 1HG1 VAL 27 1HG2 VAL 27 224.934 22.423 5.962
161 2HG1 VAL 27 2HG2 VAL 27 223.319 21.701 6.084
162 3HG1 VAL 27 3HG2 VAL 27 224.174 21.696 4.532
163 1HG2 VAL 27 2HG1 VAL 27 222.480 25.320 6.127
164 2HG2 VAL 27 3HG1 VAL 27 222.209 23.758 6.906
165 3HG2 VAL 27 1HG1 VAL 27 223.793 24.525 7.011
166 H LEU 28 H LEU 28 224.117 24.702 1.634
167 HA LEU 28 HA LEU 28 222.387 27.178 1.649
168 1HB LEU 28 1HB LEU 28 224.623 26.361 -0.252
169 2HB LEU 28 2HB LEU 28 223.553 27.746 -0.486
170 HG LEU 28 HG LEU 28 225.589 27.399 1.740
171 1HD1 LEU 28 2HD1 LEU 28 226.336 27.908 -0.634
172 2HD1 LEU 28 3HD1 LEU 28 225.439 29.427 -0.541
173 3HD1 LEU 28 1HD1 LEU 28 226.796 29.122 0.569
174 1HD2 LEU 28 2HD2 LEU 28 223.594 29.658 1.214
175 2HD2 LEU 28 3HD2 LEU 28 223.722 28.665 2.683
176 3HD2 LEU 28 1HD2 LEU 28 225.006 29.798 2.281
177 H ASN 29 H ASN 29 223.286 24.442 -0.495
178 HA ASN 29 HA ASN 29 220.769 24.919 -2.063
179 1HB ASN 29 1HB ASN 29 222.177 25.152 -4.078
180 2HB ASN 29 2HB ASN 29 222.630 26.320 -2.857
181 1HD2 ASN 29 2HD2 ASN 29 225.970 25.235 -3.302
182 2HD2 ASN 29 1HD2 ASN 29 224.873 26.604 -3.096
183 HA PRO 30 HA PRO 30 220.449 20.551 -2.509
184 1HB PRO 30 1HB PRO 30 219.212 20.141 -4.905
185 2HB PRO 30 2HB PRO 30 218.447 21.044 -3.577
186 1HG PRO 30 2HG PRO 30 220.036 22.223 -5.891
187 2HG PRO 30 1HG PRO 30 218.355 22.615 -5.428
188 1HD PRO 30 2HD PRO 30 220.362 24.138 -4.532
189 2HD PRO 30 1HD PRO 30 219.074 23.670 -3.395
190 H TYR 31 H TYR 31 223.115 21.543 -3.241
191 HA TYR 31 HA TYR 31 224.097 19.113 -4.651
192 1HB TYR 31 2HB TYR 31 225.124 21.943 -5.166
193 2HB TYR 31 1HB TYR 31 225.881 20.468 -5.720
194 HD1 TYR 31 HD1 TYR 31 222.903 22.677 -6.124
195 HD2 TYR 31 HD2 TYR 31 225.150 19.353 -7.732
196 HE1 TYR 31 HE1 TYR 31 221.623 22.830 -8.266
197 HE2 TYR 31 HE2 TYR 31 223.864 19.519 -9.855
198 HH TYR 31 HH TYR 31 222.282 20.645 -10.993
199 H ALA 32 H ALA 32 224.919 21.964 -2.730
200 HA ALA 32 HA ALA 32 227.121 20.557 -1.286
201 1HB ALA 32 2HB ALA 32 227.799 22.206 -3.004
202 2HB ALA 32 3HB ALA 32 226.880 23.454 -2.150
203 3HB ALA 32 1HB ALA 32 228.271 22.690 -1.368
204 H SER 33 H SER 33 227.033 20.511 0.887
205 HA SER 33 HA SER 33 226.347 23.038 2.281
206 1HB SER 33 1HB SER 33 226.328 20.940 3.636
207 2HB SER 33 2HB SER 33 228.057 20.759 3.349
208 HG SER 33 HG SER 33 228.451 22.461 4.644
209 H GLN 34 H GLN 34 227.773 24.705 2.096
210 HA GLN 34 HA GLN 34 229.811 24.346 -0.051
211 1HB GLN 34 1HB GLN 34 227.537 25.259 -0.640
212 2HB GLN 34 2HB GLN 34 227.796 26.538 0.542
213 1HG GLN 34 2HG GLN 34 228.234 27.480 -1.614
214 2HG GLN 34 1HG GLN 34 229.793 27.333 -0.822
215 1HE2 GLN 34 2HE2 GLN 34 230.284 26.201 -4.246
216 2HE2 GLN 34 1HE2 GLN 34 229.674 27.712 -3.564
217 H CYS 35 H CYS 35 231.818 25.204 0.208
218 HA CYS 35 HA CYS 35 232.628 26.559 2.608
219 1HB CYS 35 2HB CYS 35 234.163 26.519 0.047
220 2HB CYS 35 1HB CYS 35 234.780 26.726 1.683
221 H LEU 36 H LEU 36 231.365 28.458 2.961
222 HA LEU 36 HA LEU 36 231.908 30.828 1.210
223 1HB LEU 36 1HB LEU 36 230.284 30.549 3.760
224 2HB LEU 36 2HB LEU 36 230.494 32.030 2.823
225 HG LEU 36 HG LEU 36 229.075 29.495 1.881
226 1HD1 LEU 36 1HD2 LEU 36 228.065 32.275 2.649
227 2HD1 LEU 36 2HD2 LEU 36 227.066 31.011 1.923
228 3HD1 LEU 36 3HD2 LEU 36 227.777 30.758 3.527
229 1HD2 LEU 36 1HD1 LEU 36 229.541 32.158 0.446
230 2HD2 LEU 36 2HD1 LEU 36 230.098 30.553 -0.074
231 3HD2 LEU 36 3HD1 LEU 36 228.376 30.931 -0.078
No H/Q in entry = 231
Start of MODEL 18
1 1H THR 1 1H THR 1 245.692 23.536 0.019
2 2H THR 1 2H THR 1 245.236 23.863 1.565
3 3H THR 1 3H THR 1 245.594 22.313 1.154
4 HA THR 1 HA THR 1 243.582 22.145 -0.094
5 HB THR 1 HB THR 1 241.878 23.034 1.682
6 HG1 THR 1 HG1 THR 1 242.862 23.802 3.555
7 1HG2 THR 1 2HG2 THR 1 242.800 20.705 1.838
8 2HG2 THR 1 3HG2 THR 1 244.187 21.330 2.758
9 3HG2 THR 1 1HG2 THR 1 242.551 21.447 3.418
10 H GLN 2 H GLN 2 241.367 23.263 -0.601
11 HA GLN 2 HA GLN 2 241.879 25.911 -1.856
12 1HB GLN 2 1HB GLN 2 240.090 25.471 -3.262
13 2HB GLN 2 2HB GLN 2 240.913 23.935 -3.115
14 1HG GLN 2 2HG GLN 2 238.610 23.400 -3.002
15 2HG GLN 2 1HG GLN 2 239.155 23.285 -1.328
16 1HE2 GLN 2 2HE2 GLN 2 236.622 25.557 -0.435
17 2HE2 GLN 2 1HE2 GLN 2 237.334 23.984 -0.088
18 H SER 3 H SER 3 239.828 27.434 -1.727
19 HA SER 3 HA SER 3 238.875 27.608 1.137
20 1HB SER 3 1HB SER 3 240.546 29.288 0.965
21 2HB SER 3 2HB SER 3 239.934 29.861 -0.598
22 HG SER 3 HG SER 3 238.503 29.932 1.891
23 H HIS 4 H HIS 4 237.922 29.893 -1.269
24 HA HIS 4 HA HIS 4 235.198 29.514 -0.794
25 1HB HIS 4 1HB HIS 4 236.592 31.582 -1.530
26 2HB HIS 4 2HB HIS 4 236.325 31.029 -3.184
27 HD2 HIS 4 HD2 HIS 4 233.111 30.424 -1.313
28 HE1 HIS 4 HE1 HIS 4 232.961 34.503 -2.432
29 HE2 HIS 4 HE2 HIS 4 231.606 32.572 -1.483
30 H TYR 5 H TYR 5 233.827 28.080 -1.580
31 HA TYR 5 HA TYR 5 232.440 27.080 -3.022
32 1HB TYR 5 2HB TYR 5 234.313 27.621 -5.340
33 2HB TYR 5 1HB TYR 5 232.648 27.113 -5.418
34 HD1 TYR 5 HD1 TYR 5 230.865 28.631 -4.192
35 HD2 TYR 5 HD2 TYR 5 234.736 29.977 -5.563
36 HE1 TYR 5 HE1 TYR 5 230.039 30.978 -4.240
37 HE2 TYR 5 HE2 TYR 5 233.900 32.315 -5.603
38 HH TYR 5 HH TYR 5 232.201 33.680 -5.070
39 H GLY 6 H GLY 6 233.792 25.442 -1.477
40 1HA GLY 6 2HA GLY 6 234.406 22.969 -3.101
41 2HA GLY 6 1HA GLY 6 234.921 23.279 -1.454
42 H GLN 7 H GLN 7 233.017 21.213 -2.991
43 HA GLN 7 HA GLN 7 230.511 21.315 -1.581
44 1HB GLN 7 1HB GLN 7 230.858 20.246 -3.785
45 2HB GLN 7 2HB GLN 7 231.861 19.002 -3.026
46 1HG GLN 7 2HG GLN 7 229.893 18.218 -1.714
47 2HG GLN 7 1HG GLN 7 228.909 19.501 -2.430
48 1HE2 GLN 7 2HE2 GLN 7 227.939 16.619 -4.391
49 2HE2 GLN 7 1HE2 GLN 7 227.642 17.363 -2.820
50 H CYS 8 H CYS 8 229.925 20.601 0.370
51 HA CYS 8 HA CYS 8 231.680 18.811 2.022
52 1HB CYS 8 1HB CYS 8 229.876 21.065 2.941
53 2HB CYS 8 2HB CYS 8 230.982 20.113 3.925
54 H GLY 9 H GLY 9 228.823 18.561 0.402
55 1HA GLY 9 1HA GLY 9 227.902 16.223 1.684
56 2HA GLY 9 2HA GLY 9 226.928 17.569 2.299
57 H GLY 10 H GLY 10 225.003 16.859 1.243
58 1HA GLY 10 2HA GLY 10 223.399 16.919 -0.382
59 2HA GLY 10 1HA GLY 10 224.418 18.063 -1.239
60 H ILE 11 H ILE 11 223.419 17.092 -3.168
61 HA ILE 11 HA ILE 11 223.353 14.361 -3.777
62 HB ILE 11 HB ILE 11 223.369 16.762 -5.620
63 1HG1 ILE 11 2HG1 ILE 11 221.157 14.940 -4.562
64 2HG1 ILE 11 1HG1 ILE 11 221.481 16.600 -4.054
65 1HG2 ILE 11 2HG2 ILE 11 224.128 14.801 -6.951
66 2HG2 ILE 11 3HG2 ILE 11 222.709 13.889 -6.391
67 3HG2 ILE 11 1HG2 ILE 11 222.528 15.327 -7.418
68 1HD1 ILE 11 2HD1 ILE 11 221.036 17.341 -6.449
69 2HD1 ILE 11 3HD1 ILE 11 220.436 15.694 -6.759
70 3HD1 ILE 11 1HD1 ILE 11 219.642 16.709 -5.554
71 H GLY 12 H GLY 12 224.645 12.823 -4.581
72 1HA GLY 12 2HA GLY 12 226.372 11.845 -5.830
73 2HA GLY 12 1HA GLY 12 227.159 13.406 -6.037
74 H TYR 13 H TYR 13 227.371 14.159 -3.329
75 HA TYR 13 HA TYR 13 229.692 12.726 -2.429
76 1HB TYR 13 1HB TYR 13 228.216 15.210 -1.807
77 2HB TYR 13 2HB TYR 13 228.791 14.472 -0.358
78 HD1 TYR 13 HD1 TYR 13 230.276 14.684 -3.846
79 HD2 TYR 13 HD2 TYR 13 230.673 15.761 0.325
80 HE1 TYR 13 HE1 TYR 13 232.462 15.750 -4.324
81 HE2 TYR 13 HE2 TYR 13 232.926 16.718 -0.162
82 HH TYR 13 HH TYR 13 234.162 16.998 -3.472
83 H SER 14 H SER 14 228.502 10.950 0.523
84 HA SER 14 HA SER 14 230.175 13.205 0.753
85 1HB SER 14 2HB SER 14 231.485 11.903 2.285
86 2HB SER 14 1HB SER 14 229.785 11.472 2.480
87 HG SER 14 HG SER 14 230.437 9.713 0.831
88 H GLY 15 H GLY 15 232.480 13.513 0.482
89 1HA GLY 15 1HA GLY 15 234.076 12.020 -1.399
90 2HA GLY 15 2HA GLY 15 233.289 13.400 -2.170
91 HA PRO 16 HA PRO 16 237.456 14.432 -0.368
92 1HB PRO 16 1HB PRO 16 238.680 15.570 -2.516
93 2HB PRO 16 2HB PRO 16 238.386 13.823 -2.385
94 1HG PRO 16 2HG PRO 16 236.634 15.870 -3.790
95 2HG PRO 16 1HG PRO 16 237.327 14.378 -4.491
96 1HD PRO 16 1HD PRO 16 234.811 14.393 -3.507
97 2HD PRO 16 2HD PRO 16 235.873 12.994 -3.187
98 H THR 17 H THR 17 236.152 15.840 1.053
99 HA THR 17 HA THR 17 235.809 18.658 0.619
100 HB THR 17 HB THR 17 235.559 18.792 3.056
101 HG1 THR 17 HG1 THR 17 237.210 17.366 3.641
102 1HG2 THR 17 2HG2 THR 17 233.685 17.875 1.726
103 2HG2 THR 17 3HG2 THR 17 234.272 16.228 2.038
104 3HG2 THR 17 1HG2 THR 17 233.733 17.243 3.386
105 H VAL 18 H VAL 18 238.211 18.565 -0.474
106 HA VAL 18 HA VAL 18 240.409 18.952 1.425
107 HB VAL 18 HB VAL 18 240.434 19.373 -1.582
108 1HG1 VAL 18 1HG2 VAL 18 242.654 18.719 0.425
109 2HG1 VAL 18 2HG2 VAL 18 242.847 18.727 -1.335
110 3HG1 VAL 18 3HG2 VAL 18 242.500 20.227 -0.500
111 1HG2 VAL 18 1HG1 VAL 18 241.008 16.832 0.025
112 2HG2 VAL 18 2HG1 VAL 18 239.640 17.072 -1.069
113 3HG2 VAL 18 3HG1 VAL 18 241.271 17.041 -1.718
114 H CYS 19 H CYS 19 238.784 20.700 2.332
115 HA CYS 19 HA CYS 19 239.114 23.420 1.182
116 1HB CYS 19 1HB CYS 19 236.863 22.519 1.429
117 2HB CYS 19 2HB CYS 19 237.140 22.205 3.143
118 H ALA 20 H ALA 20 239.516 25.263 2.530
119 HA ALA 20 HA ALA 20 241.119 24.825 5.016
120 1HB ALA 20 2HB ALA 20 242.178 26.122 3.214
121 2HB ALA 20 3HB ALA 20 240.809 27.245 3.198
122 3HB ALA 20 1HB ALA 20 241.853 27.142 4.628
123 H SER 21 H SER 21 240.243 25.281 6.977
124 HA SER 21 HA SER 21 237.623 26.455 7.343
125 1HB SER 21 1HB SER 21 238.580 24.858 8.958
126 2HB SER 21 2HB SER 21 239.849 26.029 9.373
127 HG SER 21 HG SER 21 237.041 26.504 9.660
128 H GLY 22 H GLY 22 237.091 28.503 7.247
129 1HA GLY 22 1HA GLY 22 238.119 30.886 8.271
130 2HA GLY 22 2HA GLY 22 238.981 30.653 6.735
131 H THR 23 H THR 23 237.619 30.077 4.846
132 HA THR 23 HA THR 23 234.781 30.796 4.647
133 HB THR 23 HB THR 23 234.966 29.158 2.682
134 HG1 THR 23 HG1 THR 23 236.988 28.141 3.592
135 1HG2 THR 23 3HG2 THR 23 235.207 31.623 2.432
136 2HG2 THR 23 1HG2 THR 23 236.956 31.463 2.660
137 3HG2 THR 23 2HG2 THR 23 236.161 30.700 1.261
138 H THR 24 H THR 24 233.039 29.178 4.797
139 HA THR 24 HA THR 24 233.626 27.286 7.007
140 HB THR 24 HB THR 24 231.354 27.314 7.585
141 HG1 THR 24 HG1 THR 24 230.877 28.918 5.313
142 1HG2 THR 24 3HG2 THR 24 232.683 29.253 8.325
143 2HG2 THR 24 1HG2 THR 24 232.222 30.156 6.867
144 3HG2 THR 24 2HG2 THR 24 230.986 29.690 8.047
145 H CYS 25 H CYS 25 230.887 26.542 5.098
146 HA CYS 25 HA CYS 25 231.449 24.347 3.567
147 1HB CYS 25 1HB CYS 25 232.172 23.648 6.314
148 2HB CYS 25 2HB CYS 25 230.912 22.599 5.766
149 H GLN 26 H GLN 26 229.128 26.186 4.836
150 HA GLN 26 HA GLN 26 227.172 24.175 5.622
151 1HB GLN 26 1HB GLN 26 226.046 26.016 6.676
152 2HB GLN 26 2HB GLN 26 227.782 26.147 6.952
153 1HG GLN 26 1HG GLN 26 227.848 27.775 4.944
154 2HG GLN 26 2HG GLN 26 226.081 27.779 5.002
155 1HE2 GLN 26 2HE2 GLN 26 227.465 30.653 6.942
156 2HE2 GLN 26 1HE2 GLN 26 227.687 30.101 5.282
157 H VAL 27 H VAL 27 224.827 24.680 5.338
158 HA VAL 27 HA VAL 27 223.972 23.768 2.908
159 HB VAL 27 HB VAL 27 221.667 24.300 3.691
160 1HG1 VAL 27 3HG2 VAL 27 222.811 22.220 4.323
161 2HG1 VAL 27 1HG2 VAL 27 223.481 23.005 5.768
162 3HG1 VAL 27 2HG2 VAL 27 221.728 22.788 5.600
163 1HG2 VAL 27 1HG1 VAL 27 223.053 25.579 6.099
164 2HG2 VAL 27 2HG1 VAL 27 221.999 26.401 4.942
165 3HG2 VAL 27 3HG1 VAL 27 221.341 25.150 5.990
166 H LEU 28 H LEU 28 223.735 24.546 0.926
167 HA LEU 28 HA LEU 28 221.697 26.414 0.550
168 1HB LEU 28 2HB LEU 28 222.506 28.207 -0.668
169 2HB LEU 28 1HB LEU 28 223.406 28.190 0.828
170 HG LEU 28 HG LEU 28 224.447 27.256 -1.880
171 1HD1 LEU 28 2HD1 LEU 28 223.976 29.659 -1.791
172 2HD1 LEU 28 3HD1 LEU 28 225.010 29.807 -0.353
173 3HD1 LEU 28 1HD1 LEU 28 225.700 29.308 -1.922
174 1HD2 LEU 28 2HD2 LEU 28 225.909 27.648 0.770
175 2HD2 LEU 28 3HD2 LEU 28 225.650 26.094 -0.044
176 3HD2 LEU 28 1HD2 LEU 28 226.673 27.316 -0.799
177 H ASN 29 H ASN 29 224.349 24.924 -1.492
178 HA ASN 29 HA ASN 29 222.489 24.976 -3.767
179 1HB ASN 29 1HB ASN 29 225.221 23.725 -3.792
180 2HB ASN 29 2HB ASN 29 224.283 24.337 -5.146
181 1HD2 ASN 29 2HD2 ASN 29 225.235 27.759 -4.363
182 2HD2 ASN 29 1HD2 ASN 29 223.754 26.929 -4.846
183 HA PRO 30 HA PRO 30 220.716 20.779 -3.432
184 1HB PRO 30 2HB PRO 30 221.410 20.902 -6.394
185 2HB PRO 30 1HB PRO 30 219.970 20.168 -5.639
186 1HG PRO 30 1HG PRO 30 219.820 22.665 -6.658
187 2HG PRO 30 2HG PRO 30 219.105 22.345 -5.060
188 1HD PRO 30 1HD PRO 30 221.703 23.736 -5.701
189 2HD PRO 30 2HD PRO 30 220.517 24.059 -4.401
190 H TYR 31 H TYR 31 223.606 20.893 -5.618
191 HA TYR 31 HA TYR 31 224.639 18.328 -4.715
192 1HB TYR 31 2HB TYR 31 226.157 20.571 -6.091
193 2HB TYR 31 1HB TYR 31 226.633 18.890 -5.939
194 HD1 TYR 31 HD2 TYR 31 225.408 17.082 -7.181
195 HD2 TYR 31 HD1 TYR 31 224.529 21.270 -7.793
196 HE1 TYR 31 HE2 TYR 31 223.931 16.503 -9.105
197 HE2 TYR 31 HE1 TYR 31 222.987 20.662 -9.660
198 HH TYR 31 HH TYR 31 222.495 17.286 -10.661
199 H ALA 32 H ALA 32 225.225 21.663 -3.684
200 HA ALA 32 HA ALA 32 227.190 20.709 -1.627
201 1HB ALA 32 2HB ALA 32 228.221 21.765 -3.640
202 2HB ALA 32 3HB ALA 32 227.417 23.282 -3.208
203 3HB ALA 32 1HB ALA 32 228.589 22.550 -2.106
204 H SER 33 H SER 33 225.894 20.728 0.147
205 HA SER 33 HA SER 33 225.803 23.334 1.520
206 1HB SER 33 1HB SER 33 225.073 21.227 2.650
207 2HB SER 33 2HB SER 33 226.727 20.592 2.533
208 HG SER 33 HG SER 33 227.396 22.376 3.868
209 H GLN 34 H GLN 34 227.588 24.669 1.455
210 HA GLN 34 HA GLN 34 230.038 23.589 0.110
211 1HB GLN 34 2HB GLN 34 228.168 24.721 -1.306
212 2HB GLN 34 1HB GLN 34 228.687 26.218 -0.542
213 1HG GLN 34 1HG GLN 34 231.012 25.831 -1.438
214 2HG GLN 34 2HG GLN 34 230.449 24.322 -2.169
215 1HE2 GLN 34 2HE2 GLN 34 229.962 26.269 -5.075
216 2HE2 GLN 34 1HE2 GLN 34 230.761 24.850 -4.394
217 H CYS 35 H CYS 35 232.029 24.547 0.455
218 HA CYS 35 HA CYS 35 232.510 26.350 2.694
219 1HB CYS 35 2HB CYS 35 234.344 25.567 0.399
220 2HB CYS 35 1HB CYS 35 234.770 26.553 1.790
221 H LEU 36 H LEU 36 230.859 27.930 2.234
222 HA LEU 36 HA LEU 36 232.158 30.271 0.884
223 1HB LEU 36 1HB LEU 36 229.435 30.313 2.194
224 2HB LEU 36 2HB LEU 36 230.186 31.520 1.159
225 HG LEU 36 HG LEU 36 229.069 28.797 0.361
226 1HD1 LEU 36 3HD2 LEU 36 227.413 30.626 0.682
227 2HD1 LEU 36 1HD2 LEU 36 228.326 31.649 -0.450
228 3HD1 LEU 36 2HD2 LEU 36 227.553 30.167 -1.025
229 1HD2 LEU 36 1HD1 LEU 36 230.515 30.812 -1.411
230 2HD2 LEU 36 2HD1 LEU 36 231.071 29.163 -1.043
231 3HD2 LEU 36 3HD1 LEU 36 229.607 29.414 -1.993
No H/Q in entry = 231
Start of MODEL 19
1 1H THR 1 3H THR 1 244.182 24.340 -2.545
2 2H THR 1 1H THR 1 244.577 25.272 -1.249
3 3H THR 1 2H THR 1 245.227 23.765 -1.379
4 HA THR 1 HA THR 1 243.127 22.777 -0.852
5 HB THR 1 HB THR 1 242.557 24.041 1.338
6 HG1 THR 1 HG1 THR 1 243.901 25.824 1.752
7 1HG2 THR 1 2HG2 THR 1 244.387 22.314 1.309
8 2HG2 THR 1 3HG2 THR 1 245.558 23.576 0.885
9 3HG2 THR 1 1HG2 THR 1 244.699 23.632 2.432
10 H GLN 2 H GLN 2 240.792 22.989 -0.419
11 HA GLN 2 HA GLN 2 239.296 24.829 -2.093
12 1HB GLN 2 2HB GLN 2 238.641 22.690 -0.055
13 2HB GLN 2 1HB GLN 2 237.401 23.785 -0.624
14 1HG GLN 2 2HG GLN 2 237.778 23.084 -2.939
15 2HG GLN 2 1HG GLN 2 239.107 22.029 -2.434
16 1HE2 GLN 2 2HE2 GLN 2 235.842 20.114 -2.687
17 2HE2 GLN 2 1HE2 GLN 2 236.438 21.369 -3.778
18 H SER 3 H SER 3 240.421 26.743 -1.277
19 HA SER 3 HA SER 3 239.164 28.041 1.093
20 1HB SER 3 1HB SER 3 241.493 28.625 0.392
21 2HB SER 3 2HB SER 3 240.862 29.212 -1.158
22 HG SER 3 HG SER 3 240.064 30.217 1.405
23 H HIS 4 H HIS 4 238.774 30.500 -0.584
24 HA HIS 4 HA HIS 4 236.089 30.589 -0.808
25 1HB HIS 4 1HB HIS 4 237.846 32.431 -1.070
26 2HB HIS 4 2HB HIS 4 237.876 32.042 -2.789
27 HD2 HIS 4 HD2 HIS 4 235.030 32.926 -0.137
28 HE1 HIS 4 HE1 HIS 4 234.330 35.042 -3.745
29 HE2 HIS 4 HE2 HIS 4 233.472 34.648 -1.372
30 H TYR 5 H TYR 5 234.862 29.116 -1.678
31 HA TYR 5 HA TYR 5 233.522 28.115 -3.178
32 1HB TYR 5 2HB TYR 5 235.471 28.574 -5.430
33 2HB TYR 5 1HB TYR 5 233.856 27.917 -5.547
34 HD1 TYR 5 HD2 TYR 5 231.935 29.459 -4.359
35 HD2 TYR 5 HD1 TYR 5 235.687 30.886 -5.965
36 HE1 TYR 5 HE2 TYR 5 231.020 31.768 -4.468
37 HE2 TYR 5 HE1 TYR 5 234.735 33.183 -6.112
38 HH TYR 5 HH TYR 5 231.441 33.913 -4.973
39 H GLY 6 H GLY 6 233.862 26.386 -1.808
40 1HA GLY 6 2HA GLY 6 235.355 24.046 -3.009
41 2HA GLY 6 1HA GLY 6 235.504 24.464 -1.309
42 H GLN 7 H GLN 7 233.847 22.415 -3.393
43 HA GLN 7 HA GLN 7 231.273 22.304 -2.100
44 1HB GLN 7 1HB GLN 7 231.867 21.486 -4.403
45 2HB GLN 7 2HB GLN 7 232.688 20.109 -3.658
46 1HG GLN 7 2HG GLN 7 230.538 19.424 -2.580
47 2HG GLN 7 1HG GLN 7 229.734 20.843 -3.266
48 1HE2 GLN 7 2HE2 GLN 7 228.719 18.157 -5.465
49 2HE2 GLN 7 1HE2 GLN 7 228.308 18.903 -3.919
50 H CYS 8 H CYS 8 230.817 21.583 -0.047
51 HA CYS 8 HA CYS 8 232.703 19.755 1.370
52 1HB CYS 8 1HB CYS 8 230.471 21.388 2.569
53 2HB CYS 8 2HB CYS 8 231.756 20.518 3.396
54 H GLY 9 H GLY 9 229.156 20.141 0.987
55 1HA GLY 9 1HA GLY 9 228.756 17.194 1.087
56 2HA GLY 9 2HA GLY 9 228.059 18.128 2.408
57 H GLY 10 H GLY 10 227.083 16.552 -0.140
58 1HA GLY 10 2HA GLY 10 224.533 17.273 -0.546
59 2HA GLY 10 1HA GLY 10 225.337 18.496 -1.516
60 H ILE 11 H ILE 11 224.247 17.525 -3.409
61 HA ILE 11 HA ILE 11 224.236 14.958 -4.358
62 HB ILE 11 HB ILE 11 224.552 17.515 -5.933
63 1HG1 ILE 11 1HG1 ILE 11 222.206 15.603 -5.533
64 2HG1 ILE 11 2HG1 ILE 11 222.440 17.115 -4.656
65 1HG2 ILE 11 3HG2 ILE 11 224.149 14.712 -7.060
66 2HG2 ILE 11 1HG2 ILE 11 223.921 16.214 -7.976
67 3HG2 ILE 11 2HG2 ILE 11 225.509 15.808 -7.388
68 1HD1 ILE 11 3HD1 ILE 11 222.351 18.355 -6.854
69 2HD1 ILE 11 1HD1 ILE 11 221.881 16.833 -7.641
70 3HD1 ILE 11 2HD1 ILE 11 220.847 17.528 -6.399
71 H GLY 12 H GLY 12 225.722 13.458 -4.386
72 1HA GLY 12 1HA GLY 12 227.530 12.268 -5.240
73 2HA GLY 12 2HA GLY 12 228.220 13.732 -5.928
74 H TYR 13 H TYR 13 228.138 15.124 -3.168
75 HA TYR 13 HA TYR 13 230.946 14.459 -3.007
76 1HB TYR 13 1HB TYR 13 229.764 16.782 -3.123
77 2HB TYR 13 2HB TYR 13 229.762 16.682 -1.378
78 HD1 TYR 13 HD1 TYR 13 231.829 16.870 -4.460
79 HD2 TYR 13 HD2 TYR 13 232.026 16.615 -0.153
80 HE1 TYR 13 HE1 TYR 13 234.183 17.688 -4.497
81 HE2 TYR 13 HE2 TYR 13 234.385 17.360 -0.223
82 HH TYR 13 HH TYR 13 236.008 18.368 -1.517
83 H SER 14 H SER 14 230.057 12.287 -1.967
84 HA SER 14 HA SER 14 231.113 12.271 0.848
85 1HB SER 14 1HB SER 14 229.595 10.466 0.287
86 2HB SER 14 2HB SER 14 230.578 10.008 -1.116
87 HG SER 14 HG SER 14 231.529 10.035 1.577
88 H GLY 15 H GLY 15 232.756 13.816 0.095
89 1HA GLY 15 1HA GLY 15 234.882 12.709 -1.729
90 2HA GLY 15 2HA GLY 15 233.977 14.191 -2.051
91 HA PRO 16 HA PRO 16 238.176 14.778 -0.091
92 1HB PRO 16 1HB PRO 16 239.460 16.162 -2.046
93 2HB PRO 16 2HB PRO 16 239.101 14.426 -2.197
94 1HG PRO 16 1HG PRO 16 237.438 16.722 -3.282
95 2HG PRO 16 2HG PRO 16 238.086 15.341 -4.203
96 1HD PRO 16 2HD PRO 16 235.571 15.276 -3.238
97 2HD PRO 16 1HD PRO 16 236.592 13.813 -3.144
98 H THR 17 H THR 17 236.808 16.039 1.477
99 HA THR 17 HA THR 17 236.434 18.889 1.233
100 HB THR 17 HB THR 17 236.040 18.768 3.711
101 HG1 THR 17 HG1 THR 17 236.002 16.600 4.554
102 1HG2 THR 17 2HG2 THR 17 234.239 18.266 2.031
103 2HG2 THR 17 3HG2 THR 17 234.591 16.540 2.228
104 3HG2 THR 17 1HG2 THR 17 234.016 17.496 3.609
105 H VAL 18 H VAL 18 238.928 18.815 0.370
106 HA VAL 18 HA VAL 18 240.927 19.257 2.490
107 HB VAL 18 HB VAL 18 241.246 19.713 -0.498
108 1HG1 VAL 18 1HG2 VAL 18 243.269 19.036 1.699
109 2HG1 VAL 18 2HG2 VAL 18 243.630 19.140 -0.034
110 3HG1 VAL 18 3HG2 VAL 18 243.137 20.582 0.844
111 1HG2 VAL 18 1HG1 VAL 18 241.621 17.126 1.076
112 2HG2 VAL 18 2HG1 VAL 18 240.465 17.409 -0.239
113 3HG2 VAL 18 3HG1 VAL 18 242.189 17.398 -0.583
114 H CYS 19 H CYS 19 239.126 20.954 3.194
115 HA CYS 19 HA CYS 19 239.084 23.514 1.829
116 1HB CYS 19 1HB CYS 19 237.072 22.331 2.623
117 2HB CYS 19 2HB CYS 19 237.635 22.503 4.279
118 H ALA 20 H ALA 20 239.037 25.631 3.038
119 HA ALA 20 HA ALA 20 241.497 25.838 4.769
120 1HB ALA 20 2HB ALA 20 241.573 26.789 2.447
121 2HB ALA 20 3HB ALA 20 240.338 27.953 2.957
122 3HB ALA 20 1HB ALA 20 241.913 27.936 3.758
123 H SER 21 H SER 21 240.294 25.492 6.749
124 HA SER 21 HA SER 21 238.195 26.867 7.860
125 1HB SER 21 1HB SER 21 239.489 25.085 8.994
126 2HB SER 21 2HB SER 21 240.782 26.261 9.328
127 HG SER 21 HG SER 21 239.306 26.152 11.103
128 H GLY 22 H GLY 22 237.715 28.934 7.808
129 1HA GLY 22 1HA GLY 22 238.575 31.335 8.712
130 2HA GLY 22 2HA GLY 22 239.777 31.032 7.449
131 H THR 23 H THR 23 238.552 29.862 5.521
132 HA THR 23 HA THR 23 235.915 31.058 4.773
133 HB THR 23 HB THR 23 236.012 29.717 2.755
134 HG1 THR 23 HG1 THR 23 238.221 28.572 4.020
135 1HG2 THR 23 2HG2 THR 23 237.258 31.911 2.773
136 2HG2 THR 23 3HG2 THR 23 238.757 31.012 3.097
137 3HG2 THR 23 1HG2 THR 23 237.847 30.732 1.597
138 H THR 24 H THR 24 234.195 29.416 4.443
139 HA THR 24 HA THR 24 234.180 27.613 6.833
140 HB THR 24 HB THR 24 231.953 28.259 7.197
141 HG1 THR 24 HG1 THR 24 232.089 29.748 4.777
142 1HG2 THR 24 2HG2 THR 24 233.717 29.928 7.849
143 2HG2 THR 24 3HG2 THR 24 233.422 30.786 6.324
144 3HG2 THR 24 1HG2 THR 24 232.129 30.653 7.522
145 H CYS 25 H CYS 25 231.364 27.221 5.324
146 HA CYS 25 HA CYS 25 231.607 25.152 3.454
147 1HB CYS 25 1HB CYS 25 231.797 24.130 6.266
148 2HB CYS 25 2HB CYS 25 230.760 23.234 5.184
149 H GLN 26 H GLN 26 229.932 27.401 3.872
150 HA GLN 26 HA GLN 26 227.646 26.837 5.417
151 1HB GLN 26 1HB GLN 26 228.742 29.093 4.745
152 2HB GLN 26 2HB GLN 26 227.824 28.967 3.248
153 1HG GLN 26 2HG GLN 26 226.656 30.381 4.907
154 2HG GLN 26 1HG GLN 26 225.707 28.934 4.570
155 1HE2 GLN 26 2HE2 GLN 26 227.350 29.381 8.291
156 2HE2 GLN 26 1HE2 GLN 26 228.018 30.351 6.974
157 H VAL 27 H VAL 27 225.494 26.347 4.971
158 HA VAL 27 HA VAL 27 224.887 24.619 2.749
159 HB VAL 27 HB VAL 27 222.517 24.781 3.660
160 1HG1 VAL 27 3HG2 VAL 27 224.086 22.923 4.087
161 2HG1 VAL 27 1HG2 VAL 27 224.743 23.796 5.482
162 3HG1 VAL 27 2HG2 VAL 27 223.048 23.252 5.485
163 1HG2 VAL 27 3HG1 VAL 27 222.854 26.965 4.975
164 2HG2 VAL 27 1HG1 VAL 27 222.161 25.606 5.876
165 3HG2 VAL 27 2HG1 VAL 27 223.857 26.032 6.100
166 H LEU 28 H LEU 28 225.163 25.584 0.750
167 HA LEU 28 HA LEU 28 223.517 27.974 0.067
168 1HB LEU 28 1HB LEU 28 225.651 26.525 -1.548
169 2HB LEU 28 2HB LEU 28 224.829 28.025 -1.985
170 HG LEU 28 HG LEU 28 226.811 27.598 0.270
171 1HD1 LEU 28 3HD2 LEU 28 227.604 27.923 -2.118
172 2HD1 LEU 28 1HD2 LEU 28 226.830 29.519 -2.094
173 3HD1 LEU 28 2HD2 LEU 28 228.163 29.150 -0.978
174 1HD2 LEU 28 1HD1 LEU 28 225.100 30.060 -0.310
175 2HD2 LEU 28 2HD1 LEU 28 225.096 29.099 1.185
176 3HD2 LEU 28 3HD1 LEU 28 226.518 30.048 0.759
177 H ASN 29 H ASN 29 223.865 24.608 -1.127
178 HA ASN 29 HA ASN 29 221.255 24.729 -2.488
179 1HB ASN 29 1HB ASN 29 222.145 24.816 -4.781
180 2HB ASN 29 2HB ASN 29 222.768 26.171 -3.903
181 1HD2 ASN 29 2HD2 ASN 29 226.107 25.111 -4.472
182 2HD2 ASN 29 1HD2 ASN 29 225.051 26.403 -3.892
183 HA PRO 30 HA PRO 30 221.197 20.366 -2.630
184 1HB PRO 30 2HB PRO 30 221.261 20.255 -5.649
185 2HB PRO 30 1HB PRO 30 220.152 19.425 -4.523
186 1HG PRO 30 1HG PRO 30 219.333 21.651 -5.823
187 2HG PRO 30 2HG PRO 30 218.985 21.503 -4.075
188 1HD PRO 30 2HD PRO 30 221.265 22.955 -5.420
189 2HD PRO 30 1HD PRO 30 220.146 23.580 -4.158
190 H TYR 31 H TYR 31 223.674 21.533 -4.958
191 HA TYR 31 HA TYR 31 225.384 19.169 -4.759
192 1HB TYR 31 2HB TYR 31 226.106 21.991 -5.635
193 2HB TYR 31 1HB TYR 31 227.066 20.551 -5.843
194 HD1 TYR 31 HD2 TYR 31 226.288 18.674 -7.345
195 HD2 TYR 31 HD1 TYR 31 224.357 22.543 -7.240
196 HE1 TYR 31 HE2 TYR 31 225.096 18.151 -9.475
197 HE2 TYR 31 HE1 TYR 31 223.176 22.001 -9.365
198 HH TYR 31 HH TYR 31 222.925 20.508 -11.022
199 H ALA 32 H ALA 32 225.151 22.260 -3.018
200 HA ALA 32 HA ALA 32 227.382 21.369 -1.242
201 1HB ALA 32 2HB ALA 32 228.194 22.618 -3.267
202 2HB ALA 32 3HB ALA 32 227.395 24.062 -2.607
203 3HB ALA 32 1HB ALA 32 228.656 23.217 -1.676
204 H SER 33 H SER 33 226.476 21.341 0.696
205 HA SER 33 HA SER 33 226.786 23.886 2.089
206 1HB SER 33 1HB SER 33 226.775 21.127 2.890
207 2HB SER 33 2HB SER 33 228.380 21.745 3.236
208 HG SER 33 HG SER 33 227.424 23.448 4.384
209 H GLN 34 H GLN 34 228.557 25.194 1.843
210 HA GLN 34 HA GLN 34 230.733 24.340 -0.014
211 1HB GLN 34 2HB GLN 34 228.349 25.497 -0.728
212 2HB GLN 34 1HB GLN 34 229.301 26.938 -0.487
213 1HG GLN 34 2HG GLN 34 230.087 24.593 -2.322
214 2HG GLN 34 1HG GLN 34 229.127 25.992 -2.824
215 1HE2 GLN 34 2HE2 GLN 34 232.342 26.762 -4.101
216 2HE2 GLN 34 1HE2 GLN 34 230.894 25.841 -4.481
217 H CYS 35 H CYS 35 232.765 25.139 0.428
218 HA CYS 35 HA CYS 35 233.386 26.958 2.551
219 1HB CYS 35 2HB CYS 35 235.245 26.185 0.288
220 2HB CYS 35 1HB CYS 35 235.661 26.794 1.881
221 H LEU 36 H LEU 36 231.930 28.716 1.971
222 HA LEU 36 HA LEU 36 233.382 30.850 0.430
223 1HB LEU 36 1HB LEU 36 230.910 31.194 2.142
224 2HB LEU 36 2HB LEU 36 231.656 32.354 1.039
225 HG LEU 36 HG LEU 36 230.229 29.784 0.246
226 1HD1 LEU 36 1HD2 LEU 36 229.455 32.729 -0.019
227 2HD1 LEU 36 2HD2 LEU 36 228.556 31.390 -0.741
228 3HD1 LEU 36 3HD2 LEU 36 228.687 31.513 1.019
229 1HD2 LEU 36 2HD1 LEU 36 232.061 30.303 -1.359
230 2HD2 LEU 36 3HD1 LEU 36 230.467 30.527 -2.080
231 3HD2 LEU 36 1HD1 LEU 36 231.413 31.943 -1.571
No H/Q in entry = 231