Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
653533 | 7k1q RC | 30793 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 TRP 1 H1 TRP 1 37.006 60.025 15.143
2 H2 TRP 1 H2 TRP 1 36.418 59.124 13.821
3 H3 TRP 1 H3 TRP 1 35.371 60.134 14.696
4 HA TRP 1 HA TRP 1 35.636 58.958 16.611
5 HB2 TRP 1 HB1 TRP 1 34.702 57.301 14.185
6 HB3 TRP 1 HB2 TRP 1 34.710 56.825 15.925
7 HD1 TRP 1 HD1 TRP 1 32.746 59.075 13.450
8 HE1 TRP 1 HE1 TRP 1 30.875 60.271 14.631
9 HE3 TRP 1 HE3 TRP 1 33.778 57.865 18.292
10 HZ2 TRP 1 HZ2 TRP 1 29.920 60.810 17.201
11 HZ3 TRP 1 HZ3 TRP 1 32.471 58.774 20.061
12 HH2 TRP 1 HH2 TRP 1 30.493 60.178 19.497
13 H LYS 2 HN LYS 2 36.911 57.911 18.081
14 HA LYS 2 HA LYS 2 39.340 56.868 17.322
15 HB2 LYS 2 HB1 LYS 2 37.648 56.281 19.845
16 HB3 LYS 2 HB2 LYS 2 39.445 56.147 19.653
17 HG2 LYS 2 HG1 LYS 2 39.481 58.579 19.005
18 HG3 LYS 2 HG2 LYS 2 37.836 58.674 19.761
19 HD2 LYS 2 HD1 LYS 2 38.578 57.610 21.771
20 HD3 LYS 2 HD2 LYS 2 40.322 57.657 21.283
21 HE2 LYS 2 HE1 LYS 2 40.130 60.155 20.908
22 HE3 LYS 2 HE2 LYS 2 38.550 60.076 21.790
23 HZ1 LYS 2 HZ1 LYS 2 39.783 59.031 23.668
24 HZ2 LYS 2 HZ2 LYS 2 41.230 59.350 22.824
25 HZ3 LYS 2 HZ3 LYS 2 40.203 60.626 23.267
26 H SER 3 HN SER 3 36.503 54.947 18.113
27 HA SER 3 HA SER 3 36.034 53.110 17.981
28 HB2 SER 3 HB1 SER 3 34.989 53.549 16.142
29 HB3 SER 3 HB2 SER 3 35.842 51.999 15.778
30 H GLN 4 HN GLN 4 37.329 52.605 19.368
31 HA GLN 4 HA GLN 4 37.865 50.983 20.735
32 HB2 GLN 4 HB1 GLN 4 37.582 49.200 18.360
33 HB3 GLN 4 HB2 GLN 4 38.364 48.493 19.840
34 HG2 GLN 4 HG1 GLN 4 35.607 49.852 20.049
35 HG3 GLN 4 HG2 GLN 4 35.841 48.091 19.720
36 HE21 GLN 4 1HE2 GLN 4 36.109 46.702 21.436
37 HE22 GLN 4 2HE2 GLN 4 36.216 47.316 23.054
38 H DHA 5 HN DHA 5 39.333 52.975 20.271
39 HB1 DHA 5 HB1 DHA 5 41.927 51.816 21.722
40 HB2 DHA 5 HB2 DHA 5 43.344 52.460 20.642
41 H PHE 6 HN PHE 6 41.012 51.520 17.532
42 HA PHE 6 HA PHE 6 41.576 53.731 15.873
43 HB2 PHE 6 HB1 PHE 6 43.438 51.893 14.736
44 HB3 PHE 6 HB2 PHE 6 43.780 53.291 15.835
45 HD1 PHE 6 HD1 PHE 6 42.672 49.826 15.707
46 HD2 PHE 6 HD2 PHE 6 44.832 52.675 17.896
47 HE1 PHE 6 HE1 PHE 6 42.871 48.243 17.620
48 HE2 PHE 6 HE2 PHE 6 45.287 50.951 19.650
49 HZ PHE 6 HZ PHE 6 44.110 48.887 19.676
50 H CYS 7 HN CYS 7 39.619 53.577 15.042
51 HA CYS 7 HA CYS 7 39.390 51.284 13.187
52 HB2 CYS 7 HB1 CYS 7 36.958 51.902 12.986
53 HB3 CYS 7 HB2 CYS 7 37.520 51.299 14.598
54 H THR 8 HN THR 8 39.921 54.555 13.564
55 HA THR 8 HA THR 8 41.473 53.621 11.533
56 HB THR 8 HB THR 8 41.584 56.256 10.599
57 HG21 THR 8 1HG2 THR 8 41.460 54.071 9.352
58 HG22 THR 8 2HG2 THR 8 39.655 54.122 9.334
59 HG23 THR 8 3HG2 THR 8 40.607 55.454 8.574
60 HA PRO 9 HA PRO 9 43.629 55.201 14.786
61 HB2 PRO 9 HB1 PRO 9 46.209 55.285 14.110
62 HB3 PRO 9 HB2 PRO 9 45.269 53.766 14.391
63 HG2 PRO 9 HG1 PRO 9 45.766 54.971 11.541
64 HG3 PRO 9 HG2 PRO 9 45.979 53.292 12.192
65 HD2 PRO 9 HD1 PRO 9 43.819 53.868 10.969
66 HD3 PRO 9 HD2 PRO 9 43.601 52.928 12.494
67 H GLY 10 HN GLY 10 43.576 57.065 12.089
68 HA2 GLY 10 HA1 GLY 10 44.146 59.553 13.618
69 HA3 GLY 10 HA2 GLY 10 44.685 59.382 11.885
70 H CYS 11 HN CYS 11 41.714 58.252 13.291
71 HA CYS 11 HA CYS 11 40.734 58.507 10.817
72 HB2 CYS 11 HB1 CYS 11 39.668 57.308 13.192
73 HB3 CYS 11 HB2 CYS 11 38.396 58.132 12.195
74 H VAL 12 HN VAL 12 38.417 61.541 11.849
75 HA VAL 12 HA VAL 12 40.979 61.637 12.868
76 HB VAL 12 HB VAL 12 40.358 63.450 14.130
77 HG11 VAL 12 1HG1 VAL 12 40.669 63.804 11.764
78 HG12 VAL 12 2HG1 VAL 12 38.976 63.297 11.427
79 HG13 VAL 12 3HG1 VAL 12 39.290 64.762 12.423
80 HG21 VAL 12 1HG2 VAL 12 37.841 64.147 14.303
81 HG22 VAL 12 2HG2 VAL 12 37.434 62.538 13.622
82 HG23 VAL 12 3HG2 VAL 12 38.269 62.660 15.209
83 H THR 13 HN THR 13 41.804 61.355 15.039
84 HA THR 13 HA THR 13 39.816 60.242 16.861
85 HB THR 13 HB THR 13 41.777 59.199 18.173
86 HG21 THR 13 1HG2 THR 13 41.645 57.252 16.764
87 HG22 THR 13 2HG2 THR 13 40.236 58.128 16.067
88 HG23 THR 13 3HG2 THR 13 41.842 58.200 15.247
89 H GLY 14 HN GLY 14 40.556 62.648 15.856
90 HA2 GLY 14 HA1 GLY 14 40.112 64.757 16.448
91 HA3 GLY 14 HA2 GLY 14 39.617 63.965 18.011
92 H VAL 15 HN VAL 15 42.680 63.220 17.599
93 HA VAL 15 HA VAL 15 43.886 65.289 19.170
94 HB VAL 15 HB VAL 15 44.199 62.890 19.423
95 HG11 VAL 15 1HG1 VAL 15 44.647 62.125 17.297
96 HG12 VAL 15 2HG1 VAL 15 46.064 63.202 17.057
97 HG13 VAL 15 3HG1 VAL 15 46.147 61.851 18.247
98 HG21 VAL 15 1HG2 VAL 15 46.551 63.337 20.172
99 HG22 VAL 15 2HG2 VAL 15 46.631 64.886 19.253
100 HG23 VAL 15 3HG2 VAL 15 45.548 64.736 20.686
101 H LEU 16 HN LEU 16 45.070 66.068 15.444
102 HA LEU 16 HA LEU 16 42.623 65.124 15.584
103 HB2 LEU 16 HB1 LEU 16 44.541 66.106 13.487
104 HB3 LEU 16 HB2 LEU 16 43.089 65.136 13.012
105 HG LEU 16 HG LEU 16 41.558 66.575 14.478
106 HD11 LEU 16 1HD1 LEU 16 43.249 67.819 15.882
107 HD12 LEU 16 2HD1 LEU 16 43.987 68.522 14.399
108 HD13 LEU 16 3HD1 LEU 16 42.265 68.887 14.805
109 HD21 LEU 16 1HD2 LEU 16 42.953 67.610 12.060
110 HD22 LEU 16 2HD2 LEU 16 41.490 66.566 12.076
111 HD23 LEU 16 3HD2 LEU 16 41.375 68.280 12.616
112 H GLN 17 HN GLN 17 45.754 64.067 14.749
113 HA GLN 17 HA GLN 17 45.055 61.282 14.186
114 HB2 GLN 17 HB1 GLN 17 46.166 61.362 11.923
115 HB3 GLN 17 HB2 GLN 17 44.826 62.568 12.072
116 HG2 GLN 17 HG1 GLN 17 46.737 64.297 12.426
117 HG3 GLN 17 HG2 GLN 17 47.873 62.894 12.263
118 HE21 GLN 17 1HE2 GLN 17 48.832 64.120 10.341
119 HE22 GLN 17 2HE2 GLN 17 47.988 63.768 8.865
120 H MDH 18 HN MDH 18 47.197 59.906 13.608
121 HB MDH 18 HB1 MDH 18 48.814 57.690 15.575
122 HG1 MDH 18 HG1 MDH 18 50.852 58.220 14.122
123 HG2 MDH 18 HG2 MDH 18 49.748 59.401 13.306
124 HG3 MDH 18 HG3 MDH 18 50.429 59.772 14.930
125 H CYS 19 HN CYS 19 45.891 58.608 16.076
126 HA CYS 19 HA CYS 19 45.806 59.543 18.800
127 HB2 CYS 19 HB1 CYS 19 43.935 57.512 17.469
128 HB3 CYS 19 HB2 CYS 19 43.656 58.553 18.924
129 H PHE 20 HN PHE 20 46.464 56.313 17.171
130 HA PHE 20 HA PHE 20 48.005 55.923 19.569
131 HB2 PHE 20 HB1 PHE 20 45.663 54.490 19.260
132 HB3 PHE 20 HB2 PHE 20 46.843 53.451 18.385
133 HD1 PHE 20 HD1 PHE 20 45.690 54.924 21.465
134 HD2 PHE 20 HD2 PHE 20 48.782 52.387 19.746
135 HE1 PHE 20 HE1 PHE 20 46.445 54.115 23.686
136 HE2 PHE 20 HE2 PHE 20 49.432 51.708 21.877
137 HZ PHE 20 HZ PHE 20 48.259 52.563 23.917
138 H ILE 21 HN ILE 21 50.069 54.737 19.405
139 HA ILE 21 HA ILE 21 50.825 54.401 16.728
140 HB ILE 21 HB ILE 21 52.981 55.361 17.357
141 HG12 ILE 21 1HG1 ILE 21 51.637 57.047 19.527
142 HG13 ILE 21 2HG1 ILE 21 52.592 55.545 19.883
143 HG21 ILE 21 1HG2 ILE 21 50.470 57.127 17.191
144 HG22 ILE 21 2HG2 ILE 21 52.074 57.765 16.687
145 HG23 ILE 21 3HG2 ILE 21 51.280 56.462 15.733
146 HD11 ILE 21 HD1 ILE 21 53.830 57.689 20.162
147 HD12 ILE 21 HD2 ILE 21 54.566 56.698 18.852
148 HD13 ILE 21 HD3 ILE 21 53.456 58.055 18.445
149 H GLN 22 HN GLN 22 51.910 51.498 17.977
150 HA GLN 22 HA GLN 22 52.603 53.483 15.928
151 HB2 GLN 22 HB1 GLN 22 54.521 52.321 16.867
152 HB3 GLN 22 HB2 GLN 22 53.989 50.810 16.015
153 HG2 GLN 22 HG1 GLN 22 55.612 52.011 14.776
154 HG3 GLN 22 HG2 GLN 22 54.114 52.365 13.836
155 HE21 GLN 22 1HE2 GLN 22 55.572 53.867 12.853
156 HE22 GLN 22 2HE2 GLN 22 56.147 55.330 13.598
157 H THR 23 HN THR 23 50.286 51.194 16.641
158 HA THR 23 HA THR 23 50.208 50.398 14.043
159 HB THR 23 HB THR 23 49.248 49.059 15.846
160 HG21 THR 23 1HG2 THR 23 47.894 51.096 16.699
161 HG22 THR 23 2HG2 THR 23 46.620 50.702 15.491
162 HG23 THR 23 3HG2 THR 23 47.002 49.528 16.793
163 H ALA 24 HN ALA 24 49.766 53.332 14.759
164 HA ALA 24 HA ALA 24 47.966 53.996 12.680
165 HB1 ALA 24 HB1 ALA 24 48.730 55.719 14.360
166 HB2 ALA 24 HB2 ALA 24 50.414 55.659 13.718
167 HB3 ALA 24 HB3 ALA 24 49.074 56.265 12.677
168 H THR 25 HN THR 25 51.229 52.860 12.578
169 HA THR 25 HA THR 25 49.884 51.763 10.307
170 HB THR 25 HB THR 25 52.842 51.772 9.912
171 HG21 THR 25 1HG2 THR 25 52.227 54.182 10.037
172 HG22 THR 25 2HG2 THR 25 52.832 53.557 8.463
173 HG23 THR 25 3HG2 THR 25 51.076 53.886 8.687
174 H CYS 26 HN CYS 26 48.931 50.280 11.118
175 HA CYS 26 HA CYS 26 50.566 48.052 11.401
176 HB2 CYS 26 HB1 CYS 26 49.297 46.977 13.128
177 HB3 CYS 26 HB2 CYS 26 50.282 48.352 13.744
178 H ASN 27 HN ASN 27 49.475 46.423 10.468
179 HA ASN 27 HA ASN 27 48.665 45.767 8.615
180 HB2 ASN 27 HB1 ASN 27 46.709 48.214 8.607
181 HB3 ASN 27 HB2 ASN 27 46.802 47.038 7.229
182 HD21 ASN 27 1HD2 ASN 27 44.932 47.743 9.868
183 HD22 ASN 27 2HD2 ASN 27 44.549 46.154 10.433
184 H CYS 28 HN CYS 28 50.053 48.871 9.169
185 HA CYS 28 HA CYS 28 51.444 48.410 6.732
186 HB2 CYS 28 HB1 CYS 28 52.885 49.778 9.168
187 HB3 CYS 28 HB2 CYS 28 52.987 49.842 7.360
188 H HIS 29 HN HIS 29 52.355 47.862 10.186
189 HA HIS 29 HA HIS 29 52.925 45.200 9.468
190 HB2 HIS 29 HB1 HIS 29 54.916 46.741 9.508
191 HB3 HIS 29 HB2 HIS 29 54.695 46.908 11.305
192 HD2 HIS 29 HD2 HIS 29 57.168 45.500 11.436
193 HE1 HIS 29 HE1 HIS 29 55.487 41.763 10.413
194 HE2 HIS 29 HE2 HIS 29 57.486 42.887 11.470
195 H ILE 30 HN ILE 30 54.029 45.507 12.619
196 HA ILE 30 HA ILE 30 52.035 43.855 13.271
197 HB ILE 30 HB ILE 30 54.167 45.001 15.071
198 HG12 ILE 30 1HG1 ILE 30 55.072 44.072 12.931
199 HG13 ILE 30 2HG1 ILE 30 55.373 43.165 14.465
200 HG21 ILE 30 1HG2 ILE 30 52.430 43.941 16.310
201 HG22 ILE 30 2HG2 ILE 30 52.530 42.430 15.346
202 HG23 ILE 30 3HG2 ILE 30 53.951 42.973 16.314
203 HD11 ILE 30 HD1 ILE 30 55.083 41.629 12.570
204 HD12 ILE 30 HD2 ILE 30 53.558 41.436 13.517
205 HD13 ILE 30 HD3 ILE 30 53.577 42.440 12.017
206 H DHA 31 HN DHA 31 50.381 44.070 14.798
207 HB1 DHA 31 HB1 DHA 31 48.054 45.050 14.000
208 HB2 DHA 31 HB2 DHA 31 47.355 46.106 15.413
209 H LYS 32 HN LYS 32 51.208 47.486 16.560
210 HA LYS 32 HA LYS 32 49.859 47.801 19.122
211 HB2 LYS 32 HB1 LYS 32 52.339 47.990 20.053
212 HB3 LYS 32 HB2 LYS 32 51.370 46.463 19.920
213 HG2 LYS 32 HG1 LYS 32 53.469 45.947 19.363
214 HG3 LYS 32 HG2 LYS 32 52.314 45.731 17.982
215 HD2 LYS 32 HD1 LYS 32 54.478 46.258 17.001
216 HD3 LYS 32 HD2 LYS 32 53.464 47.748 16.901
217 HE2 LYS 32 HE1 LYS 32 55.549 47.422 19.230
218 HE3 LYS 32 HE2 LYS 32 55.866 48.037 17.555
219 HZ1 LYS 32 HZ1 LYS 32 53.577 49.234 18.403
220 HZ2 LYS 32 HZ2 LYS 32 54.656 49.352 19.708
221 HZ3 LYS 32 HZ3 LYS 32 55.115 49.930 18.184
Start of MODEL 2
1 H1 TRP 1 H1 TRP 1 35.426 60.500 14.605
2 H2 TRP 1 H2 TRP 1 36.966 59.760 14.575
3 H3 TRP 1 H3 TRP 1 35.726 59.180 13.565
4 HA TRP 1 HA TRP 1 35.306 59.170 16.405
5 HB2 TRP 1 HB1 TRP 1 34.606 57.050 14.325
6 HB3 TRP 1 HB2 TRP 1 34.126 57.090 16.065
7 HD1 TRP 1 HD1 TRP 1 32.736 58.360 12.815
8 HE1 TRP 1 HE1 TRP 1 30.656 59.480 13.325
9 HE3 TRP 1 HE3 TRP 1 33.676 59.150 17.765
10 HZ2 TRP 1 HZ2 TRP 1 29.656 61.100 15.615
11 HZ3 TRP 1 HZ3 TRP 1 31.976 60.310 19.065
12 HH2 TRP 1 HH2 TRP 1 30.096 61.380 18.005
13 H LYS 2 HN LYS 2 36.316 57.640 17.895
14 HA LYS 2 HA LYS 2 38.936 57.330 17.155
15 HB2 LYS 2 HB1 LYS 2 37.376 55.980 19.455
16 HB3 LYS 2 HB2 LYS 2 39.156 56.290 19.315
17 HG2 LYS 2 HG1 LYS 2 38.766 58.740 19.145
18 HG3 LYS 2 HG2 LYS 2 37.026 58.580 19.625
19 HD2 LYS 2 HD1 LYS 2 37.626 57.710 21.765
20 HD3 LYS 2 HD2 LYS 2 39.376 57.590 21.355
21 HE2 LYS 2 HE1 LYS 2 39.716 59.920 21.375
22 HE3 LYS 2 HE2 LYS 2 37.966 60.250 21.695
23 HZ1 LYS 2 HZ1 LYS 2 39.086 60.320 23.755
24 HZ2 LYS 2 HZ2 LYS 2 38.326 58.800 23.665
25 HZ3 LYS 2 HZ3 LYS 2 39.996 58.930 23.385
26 H SER 3 HN SER 3 36.396 54.900 17.305
27 HA SER 3 HA SER 3 36.456 52.800 17.375
28 HB2 SER 3 HB1 SER 3 35.656 53.190 15.155
29 HB3 SER 3 HB2 SER 3 36.706 51.720 15.215
30 H GLN 4 HN GLN 4 37.616 52.690 19.025
31 HA GLN 4 HA GLN 4 38.916 51.770 20.445
32 HB2 GLN 4 HB1 GLN 4 39.836 49.950 18.175
33 HB3 GLN 4 HB2 GLN 4 40.126 49.630 19.925
34 HG2 GLN 4 HG1 GLN 4 37.266 50.000 18.985
35 HG3 GLN 4 HG2 GLN 4 38.046 48.380 18.815
36 HE21 GLN 4 1HE2 GLN 4 39.536 47.930 20.975
37 HE22 GLN 4 2HE2 GLN 4 38.556 48.030 22.395
38 H DHA 5 HN DHA 5 39.856 53.730 18.305
39 HB1 DHA 5 HB1 DHA 5 41.486 55.360 20.385
40 HB2 DHA 5 HB2 DHA 5 42.986 55.970 19.405
41 H PHE 6 HN PHE 6 41.016 52.960 16.535
42 HA PHE 6 HA PHE 6 42.726 53.850 14.615
43 HB2 PHE 6 HB1 PHE 6 44.166 51.580 14.375
44 HB3 PHE 6 HB2 PHE 6 44.626 52.860 15.555
45 HD1 PHE 6 HD1 PHE 6 42.456 49.810 15.735
46 HD2 PHE 6 HD2 PHE 6 45.236 52.440 17.505
47 HE1 PHE 6 HE1 PHE 6 42.326 48.580 17.835
48 HE2 PHE 6 HE2 PHE 6 45.096 51.230 19.625
49 HZ PHE 6 HZ PHE 6 43.336 49.390 19.835
50 H CYS 7 HN CYS 7 40.486 53.860 14.155
51 HA CYS 7 HA CYS 7 40.086 51.430 12.445
52 HB2 CYS 7 HB1 CYS 7 37.606 51.820 12.745
53 HB3 CYS 7 HB2 CYS 7 38.536 51.420 14.245
54 H THR 8 HN THR 8 39.776 54.900 12.975
55 HA THR 8 HA THR 8 41.636 54.560 10.895
56 HB THR 8 HB THR 8 41.446 57.140 10.325
57 HG21 THR 8 1HG2 THR 8 41.436 55.340 8.685
58 HG22 THR 8 2HG2 THR 8 39.656 55.080 8.815
59 HG23 THR 8 3HG2 THR 8 40.286 56.660 8.215
60 HA PRO 9 HA PRO 9 43.666 55.500 14.195
61 HB2 PRO 9 HB1 PRO 9 46.356 55.900 13.175
62 HB3 PRO 9 HB2 PRO 9 45.456 54.340 13.115
63 HG2 PRO 9 HG1 PRO 9 45.876 56.500 10.955
64 HG3 PRO 9 HG2 PRO 9 45.946 54.700 10.845
65 HD2 PRO 9 HD1 PRO 9 43.716 56.110 10.125
66 HD3 PRO 9 HD2 PRO 9 43.726 54.390 10.675
67 H GLY 10 HN GLY 10 43.746 58.070 11.825
68 HA2 GLY 10 HA1 GLY 10 44.086 59.970 14.005
69 HA3 GLY 10 HA2 GLY 10 44.716 60.170 12.305
70 H CYS 11 HN CYS 11 41.606 58.730 13.345
71 HA CYS 11 HA CYS 11 40.986 59.130 10.835
72 HB2 CYS 11 HB1 CYS 11 39.966 57.560 12.875
73 HB3 CYS 11 HB2 CYS 11 38.546 58.610 12.485
74 H VAL 12 HN VAL 12 38.356 61.930 11.745
75 HA VAL 12 HA VAL 12 40.736 62.040 13.075
76 HB VAL 12 HB VAL 12 39.766 63.370 14.685
77 HG11 VAL 12 1HG1 VAL 12 40.636 64.250 12.745
78 HG12 VAL 12 2HG1 VAL 12 39.126 64.090 11.775
79 HG13 VAL 12 3HG1 VAL 12 39.186 65.220 13.185
80 HG21 VAL 12 1HG2 VAL 12 37.486 62.110 14.725
81 HG22 VAL 12 2HG2 VAL 12 37.286 63.900 14.745
82 HG23 VAL 12 3HG2 VAL 12 37.096 62.990 13.205
83 H THR 13 HN THR 13 41.356 61.410 15.175
84 HA THR 13 HA THR 13 39.436 59.830 16.905
85 HB THR 13 HB THR 13 41.316 59.140 18.245
86 HG21 THR 13 1HG2 THR 13 42.146 58.320 15.445
87 HG22 THR 13 2HG2 THR 13 41.766 57.230 16.835
88 HG23 THR 13 3HG2 THR 13 40.436 57.900 15.825
89 H GLY 14 HN GLY 14 40.016 62.770 16.165
90 HA2 GLY 14 HA1 GLY 14 39.596 64.680 17.075
91 HA3 GLY 14 HA2 GLY 14 39.186 63.800 18.615
92 H VAL 15 HN VAL 15 42.266 62.960 17.965
93 HA VAL 15 HA VAL 15 43.376 64.700 19.685
94 HB VAL 15 HB VAL 15 43.906 62.450 19.435
95 HG11 VAL 15 1HG1 VAL 15 44.796 62.270 17.145
96 HG12 VAL 15 2HG1 VAL 15 46.016 63.540 17.505
97 HG13 VAL 15 3HG1 VAL 15 46.076 61.960 18.375
98 HG21 VAL 15 1HG2 VAL 15 46.246 63.140 20.335
99 HG22 VAL 15 2HG2 VAL 15 45.646 64.840 20.165
100 HG23 VAL 15 3HG2 VAL 15 44.776 63.670 21.225
101 H LEU 16 HN LEU 16 44.646 66.290 16.165
102 HA LEU 16 HA LEU 16 42.246 64.570 16.095
103 HB2 LEU 16 HB1 LEU 16 43.936 66.180 14.095
104 HB3 LEU 16 HB2 LEU 16 42.426 65.290 13.645
105 HG LEU 16 HG LEU 16 41.126 66.500 15.185
106 HD11 LEU 16 1HD1 LEU 16 43.546 68.440 15.365
107 HD12 LEU 16 2HD1 LEU 16 41.936 68.850 16.065
108 HD13 LEU 16 3HD1 LEU 16 42.926 67.540 16.795
109 HD21 LEU 16 1HD2 LEU 16 42.676 68.400 13.385
110 HD22 LEU 16 2HD2 LEU 16 41.466 67.230 12.725
111 HD23 LEU 16 3HD2 LEU 16 40.926 68.620 13.735
112 H GLN 17 HN GLN 17 45.546 64.460 14.885
113 HA GLN 17 HA GLN 17 44.876 62.010 13.585
114 HB2 GLN 17 HB1 GLN 17 45.096 64.080 12.255
115 HB3 GLN 17 HB2 GLN 17 46.846 64.210 12.695
116 HG2 GLN 17 HG1 GLN 17 47.386 62.040 11.565
117 HG3 GLN 17 HG2 GLN 17 45.616 61.690 11.585
118 HE21 GLN 17 1HE2 GLN 17 44.636 64.090 10.385
119 HE22 GLN 17 2HE2 GLN 17 45.056 64.000 8.705
120 H MDH 18 HN MDH 18 46.316 60.230 13.845
121 HB MDH 18 HB1 MDH 18 48.576 57.970 15.435
122 HG1 MDH 18 HG1 MDH 18 49.876 57.820 13.555
123 HG2 MDH 18 HG2 MDH 18 49.066 59.210 12.745
124 HG3 MDH 18 HG3 MDH 18 50.296 59.510 14.035
125 H CYS 19 HN CYS 19 45.706 58.560 16.085
126 HA CYS 19 HA CYS 19 45.736 59.750 18.675
127 HB2 CYS 19 HB1 CYS 19 43.696 57.790 17.475
128 HB3 CYS 19 HB2 CYS 19 43.546 58.550 19.115
129 H PHE 20 HN PHE 20 47.066 57.100 17.305
130 HA PHE 20 HA PHE 20 47.696 55.810 19.935
131 HB2 PHE 20 HB1 PHE 20 45.676 54.550 18.455
132 HB3 PHE 20 HB2 PHE 20 47.186 54.040 17.605
133 HD1 PHE 20 HD1 PHE 20 45.426 54.420 20.725
134 HD2 PHE 20 HD2 PHE 20 48.746 52.480 18.995
135 HE1 PHE 20 HE1 PHE 20 45.486 52.880 22.625
136 HE2 PHE 20 HE2 PHE 20 49.016 51.200 20.985
137 HZ PHE 20 HZ PHE 20 47.396 51.330 22.815
138 H ILE 21 HN ILE 21 49.806 55.180 20.165
139 HA ILE 21 HA ILE 21 51.366 55.000 17.735
140 HB ILE 21 HB ILE 21 52.206 56.030 20.365
141 HG12 ILE 21 1HG1 ILE 21 52.016 57.370 17.615
142 HG13 ILE 21 2HG1 ILE 21 50.896 57.650 19.015
143 HG21 ILE 21 1HG2 ILE 21 54.526 56.370 19.355
144 HG22 ILE 21 2HG2 ILE 21 54.026 54.650 19.245
145 HG23 ILE 21 3HG2 ILE 21 53.906 55.710 17.795
146 HD11 ILE 21 HD1 ILE 21 52.476 59.490 19.025
147 HD12 ILE 21 HD2 ILE 21 53.096 58.360 20.285
148 HD13 ILE 21 HD3 ILE 21 53.856 58.390 18.655
149 H GLN 22 HN GLN 22 52.516 51.890 18.655
150 HA GLN 22 HA GLN 22 52.216 53.760 16.375
151 HB2 GLN 22 HB1 GLN 22 54.476 52.670 17.335
152 HB3 GLN 22 HB2 GLN 22 53.826 51.220 16.475
153 HG2 GLN 22 HG1 GLN 22 53.786 52.430 14.385
154 HG3 GLN 22 HG2 GLN 22 54.266 54.010 15.115
155 HE21 GLN 22 1HE2 GLN 22 56.456 54.450 15.385
156 HE22 GLN 22 2HE2 GLN 22 57.676 53.330 14.875
157 H THR 23 HN THR 23 50.626 51.040 17.715
158 HA THR 23 HA THR 23 50.216 50.090 15.175
159 HB THR 23 HB THR 23 50.166 48.660 17.065
160 HG21 THR 23 1HG2 THR 23 48.416 48.410 18.615
161 HG22 THR 23 2HG2 THR 23 48.776 50.170 18.525
162 HG23 THR 23 3HG2 THR 23 47.326 49.500 17.685
163 H ALA 24 HN ALA 24 49.426 52.740 15.845
164 HA ALA 24 HA ALA 24 46.966 53.000 14.205
165 HB1 ALA 24 HB1 ALA 24 47.726 55.060 15.315
166 HB2 ALA 24 HB2 ALA 24 49.396 54.880 14.685
167 HB3 ALA 24 HB3 ALA 24 48.056 55.300 13.565
168 H THR 25 HN THR 25 50.516 52.670 13.465
169 HA THR 25 HA THR 25 49.396 51.140 11.305
170 HB THR 25 HB THR 25 52.246 51.490 11.055
171 HG21 THR 25 1HG2 THR 25 51.246 53.850 11.455
172 HG22 THR 25 2HG2 THR 25 51.936 53.680 9.795
173 HG23 THR 25 3HG2 THR 25 50.146 53.590 10.045
174 H CYS 26 HN CYS 26 48.636 49.670 12.795
175 HA CYS 26 HA CYS 26 50.526 47.410 12.605
176 HB2 CYS 26 HB1 CYS 26 49.616 46.300 14.545
177 HB3 CYS 26 HB2 CYS 26 50.486 47.840 14.925
178 H ASN 27 HN ASN 27 49.256 45.570 11.895
179 HA ASN 27 HA ASN 27 48.726 45.010 9.995
180 HB2 ASN 27 HB1 ASN 27 46.406 46.030 10.885
181 HB3 ASN 27 HB2 ASN 27 46.446 47.030 9.375
182 HD21 ASN 27 1HD2 ASN 27 46.936 45.890 7.355
183 HD22 ASN 27 2HD2 ASN 27 46.286 44.310 7.055
184 H CYS 28 HN CYS 28 49.786 48.230 10.505
185 HA CYS 28 HA CYS 28 50.856 48.320 7.815
186 HB2 CYS 28 HB1 CYS 28 51.976 49.360 10.435
187 HB3 CYS 28 HB2 CYS 28 52.686 49.780 8.825
188 H HIS 29 HN HIS 29 53.356 46.840 10.455
189 HA HIS 29 HA HIS 29 51.046 45.140 9.955
190 HB2 HIS 29 HB1 HIS 29 53.056 44.470 8.495
191 HB3 HIS 29 HB2 HIS 29 53.946 44.270 10.065
192 HD2 HIS 29 HD2 HIS 29 54.336 41.590 9.785
193 HE1 HIS 29 HE1 HIS 29 50.246 40.440 9.535
194 HE2 HIS 29 HE2 HIS 29 52.516 39.560 9.575
195 H ILE 30 HN ILE 30 54.006 45.470 12.145
196 HA ILE 30 HA ILE 30 52.576 43.610 13.715
197 HB ILE 30 HB ILE 30 55.156 45.030 14.165
198 HG12 ILE 30 1HG1 ILE 30 55.146 43.650 12.035
199 HG13 ILE 30 2HG1 ILE 30 56.266 43.030 13.305
200 HG21 ILE 30 1HG2 ILE 30 54.526 44.110 16.365
201 HG22 ILE 30 2HG2 ILE 30 53.886 42.630 15.565
202 HG23 ILE 30 3HG2 ILE 30 55.646 42.970 15.535
203 HD11 ILE 30 HD1 ILE 30 54.956 41.220 11.945
204 HD12 ILE 30 HD2 ILE 30 54.866 41.220 13.745
205 HD13 ILE 30 HD3 ILE 30 53.486 41.860 12.775
206 H DHA 31 HN DHA 31 51.846 43.540 15.555
207 HB1 DHA 31 HB1 DHA 31 49.626 43.500 16.275
208 HB2 DHA 31 HB2 DHA 31 49.226 44.430 17.875
209 H LYS 32 HN LYS 32 52.426 47.330 16.755
210 HA LYS 32 HA LYS 32 53.116 47.360 19.615
211 HB2 LYS 32 HB1 LYS 32 55.396 48.290 18.655
212 HB3 LYS 32 HB2 LYS 32 55.126 46.500 18.655
213 HG2 LYS 32 HG1 LYS 32 56.286 47.280 16.625
214 HG3 LYS 32 HG2 LYS 32 54.786 46.290 16.395
215 HD2 LYS 32 HD1 LYS 32 53.676 48.630 16.005
216 HD3 LYS 32 HD2 LYS 32 55.316 49.330 16.345
217 HE2 LYS 32 HE1 LYS 32 56.186 48.410 14.115
218 HE3 LYS 32 HE2 LYS 32 54.586 47.610 13.845
219 HZ1 LYS 32 HZ1 LYS 32 54.936 49.680 12.715
220 HZ2 LYS 32 HZ2 LYS 32 53.586 49.760 13.755
221 HZ3 LYS 32 HZ3 LYS 32 55.076 50.420 14.245
Start of MODEL 3
1 H1 TRP 1 H1 TRP 1 35.695 59.257 14.124
2 H2 TRP 1 H2 TRP 1 34.930 60.531 14.942
3 H3 TRP 1 H3 TRP 1 36.581 60.240 15.183
4 HA TRP 1 HA TRP 1 35.083 59.236 16.986
5 HB2 TRP 1 HB1 TRP 1 34.650 57.402 14.563
6 HB3 TRP 1 HB2 TRP 1 34.375 57.005 16.309
7 HD1 TRP 1 HD1 TRP 1 32.618 58.527 13.257
8 HE1 TRP 1 HE1 TRP 1 30.294 59.271 13.914
9 HE3 TRP 1 HE3 TRP 1 33.409 58.730 18.203
10 HZ2 TRP 1 HZ2 TRP 1 28.942 59.952 16.373
11 HZ3 TRP 1 HZ3 TRP 1 31.555 59.481 19.664
12 HH2 TRP 1 HH2 TRP 1 29.429 60.181 18.754
13 H LYS 2 HN LYS 2 36.136 57.840 18.280
14 HA LYS 2 HA LYS 2 38.941 57.244 17.574
15 HB2 LYS 2 HB1 LYS 2 37.369 57.097 20.076
16 HB3 LYS 2 HB2 LYS 2 39.009 56.358 19.959
17 HG2 LYS 2 HG1 LYS 2 39.827 58.557 19.296
18 HG3 LYS 2 HG2 LYS 2 38.175 59.268 19.500
19 HD2 LYS 2 HD1 LYS 2 38.509 58.457 22.104
20 HD3 LYS 2 HD2 LYS 2 40.162 58.083 21.487
21 HE2 LYS 2 HE1 LYS 2 40.425 60.611 21.085
22 HE3 LYS 2 HE2 LYS 2 38.682 60.808 21.523
23 HZ1 LYS 2 HZ1 LYS 2 39.247 60.018 23.716
24 HZ2 LYS 2 HZ2 LYS 2 40.743 59.441 23.173
25 HZ3 LYS 2 HZ3 LYS 2 40.470 61.112 23.266
26 H SER 3 HN SER 3 36.126 55.060 18.279
27 HA SER 3 HA SER 3 36.105 53.016 18.643
28 HB2 SER 3 HB1 SER 3 35.117 52.788 16.677
29 HB3 SER 3 HB2 SER 3 36.432 51.566 16.496
30 H GLN 4 HN GLN 4 37.590 53.393 20.263
31 HA GLN 4 HA GLN 4 38.835 52.128 21.657
32 HB2 GLN 4 HB1 GLN 4 39.641 50.401 19.386
33 HB3 GLN 4 HB2 GLN 4 39.848 50.056 21.146
34 HG2 GLN 4 HG1 GLN 4 37.245 49.863 19.631
35 HG3 GLN 4 HG2 GLN 4 38.472 48.601 20.068
36 HE21 GLN 4 1HE2 GLN 4 36.246 47.848 21.306
37 HE22 GLN 4 2HE2 GLN 4 36.085 48.479 22.904
38 H DHA 5 HN DHA 5 39.696 54.182 19.543
39 HB1 DHA 5 HB1 DHA 5 41.938 55.658 21.186
40 HB2 DHA 5 HB2 DHA 5 43.148 56.064 19.783
41 H PHE 6 HN PHE 6 40.450 53.035 17.620
42 HA PHE 6 HA PHE 6 41.913 53.402 15.448
43 HB2 PHE 6 HB1 PHE 6 42.881 50.885 15.211
44 HB3 PHE 6 HB2 PHE 6 43.756 52.152 16.153
45 HD1 PHE 6 HD1 PHE 6 41.455 49.268 16.713
46 HD2 PHE 6 HD2 PHE 6 44.476 51.827 18.345
47 HE1 PHE 6 HE1 PHE 6 41.190 48.364 19.179
48 HE2 PHE 6 HE2 PHE 6 44.499 50.459 20.370
49 HZ PHE 6 HZ PHE 6 42.720 48.861 20.696
50 H CYS 7 HN CYS 7 40.029 53.749 14.463
51 HA CYS 7 HA CYS 7 39.314 51.361 13.137
52 HB2 CYS 7 HB1 CYS 7 36.785 51.448 13.710
53 HB3 CYS 7 HB2 CYS 7 37.851 51.261 15.168
54 H THR 8 HN THR 8 39.137 54.813 13.705
55 HA THR 8 HA THR 8 40.919 53.986 11.778
56 HB THR 8 HB THR 8 41.110 56.625 11.093
57 HG21 THR 8 1HG2 THR 8 41.279 54.576 9.711
58 HG22 THR 8 2HG2 THR 8 39.476 54.559 9.554
59 HG23 THR 8 3HG2 THR 8 40.433 55.938 8.885
60 HA PRO 9 HA PRO 9 43.355 55.212 15.137
61 HB2 PRO 9 HB1 PRO 9 45.935 54.884 14.173
62 HB3 PRO 9 HB2 PRO 9 44.743 53.632 14.717
63 HG2 PRO 9 HG1 PRO 9 45.215 54.611 11.838
64 HG3 PRO 9 HG2 PRO 9 45.185 52.877 12.345
65 HD2 PRO 9 HD1 PRO 9 43.120 54.276 11.265
66 HD3 PRO 9 HD2 PRO 9 42.629 53.012 12.473
67 H GLY 10 HN GLY 10 43.329 57.205 12.274
68 HA2 GLY 10 HA1 GLY 10 43.612 59.408 14.078
69 HA3 GLY 10 HA2 GLY 10 44.614 59.347 12.567
70 H CYS 11 HN CYS 11 41.463 58.603 13.609
71 HA CYS 11 HA CYS 11 40.537 58.513 11.021
72 HB2 CYS 11 HB1 CYS 11 39.497 57.619 13.442
73 HB3 CYS 11 HB2 CYS 11 38.138 58.503 12.636
74 H VAL 12 HN VAL 12 38.436 61.828 11.815
75 HA VAL 12 HA VAL 12 40.960 61.693 12.895
76 HB VAL 12 HB VAL 12 40.556 63.701 14.120
77 HG11 VAL 12 1HG1 VAL 12 39.238 63.739 11.349
78 HG12 VAL 12 2HG1 VAL 12 39.821 65.165 12.290
79 HG13 VAL 12 3HG1 VAL 12 41.001 63.949 11.684
80 HG21 VAL 12 1HG2 VAL 12 37.762 63.024 13.470
81 HG22 VAL 12 2HG2 VAL 12 38.373 63.471 15.108
82 HG23 VAL 12 3HG2 VAL 12 38.201 64.736 13.836
83 H THR 13 HN THR 13 41.603 61.310 15.067
84 HA THR 13 HA THR 13 39.589 60.131 16.920
85 HB THR 13 HB THR 13 41.473 59.559 18.372
86 HG21 THR 13 1HG2 THR 13 41.494 57.467 16.985
87 HG22 THR 13 2HG2 THR 13 40.082 58.278 16.209
88 HG23 THR 13 3HG2 THR 13 41.728 58.461 15.499
89 H GLY 14 HN GLY 14 40.565 62.839 15.814
90 HA2 GLY 14 HA1 GLY 14 40.175 64.866 16.325
91 HA3 GLY 14 HA2 GLY 14 39.752 64.411 18.043
92 H VAL 15 HN VAL 15 42.424 63.106 17.260
93 HA VAL 15 HA VAL 15 44.032 64.598 18.895
94 HB VAL 15 HB VAL 15 44.456 62.459 16.979
95 HG11 VAL 15 1HG1 VAL 15 46.855 63.381 17.193
96 HG12 VAL 15 2HG1 VAL 15 46.640 63.370 18.983
97 HG13 VAL 15 3HG1 VAL 15 46.645 61.817 18.063
98 HG21 VAL 15 1HG2 VAL 15 43.139 62.227 19.206
99 HG22 VAL 15 2HG2 VAL 15 44.656 61.265 19.337
100 HG23 VAL 15 3HG2 VAL 15 44.548 62.877 20.134
101 H LEU 16 HN LEU 16 45.359 66.143 15.355
102 HA LEU 16 HA LEU 16 42.828 64.918 14.994
103 HB2 LEU 16 HB1 LEU 16 44.974 65.465 12.946
104 HB3 LEU 16 HB2 LEU 16 43.218 65.078 12.709
105 HG LEU 16 HG LEU 16 43.561 67.167 12.197
106 HD11 LEU 16 1HD1 LEU 16 42.104 67.190 14.942
107 HD12 LEU 16 2HD1 LEU 16 41.584 68.078 13.461
108 HD13 LEU 16 3HD1 LEU 16 41.481 66.284 13.527
109 HD21 LEU 16 1HD2 LEU 16 44.111 69.035 13.542
110 HD22 LEU 16 2HD2 LEU 16 44.343 68.038 15.019
111 HD23 LEU 16 3HD2 LEU 16 45.470 67.863 13.633
112 H GLN 17 HN GLN 17 46.214 63.835 14.645
113 HA GLN 17 HA GLN 17 45.305 61.084 14.056
114 HB2 GLN 17 HB1 GLN 17 46.478 60.947 12.087
115 HB3 GLN 17 HB2 GLN 17 45.098 62.107 11.971
116 HG2 GLN 17 HG1 GLN 17 46.368 64.098 11.965
117 HG3 GLN 17 HG2 GLN 17 47.837 63.195 12.513
118 HE21 GLN 17 1HE2 GLN 17 49.299 62.587 10.656
119 HE22 GLN 17 2HE2 GLN 17 48.719 62.732 9.028
120 H MDH 18 HN MDH 18 47.155 59.590 13.695
121 HB MDH 18 HB1 MDH 18 48.860 57.357 15.735
122 HG1 MDH 18 HG1 MDH 18 50.604 57.379 14.572
123 HG2 MDH 18 HG2 MDH 18 50.067 58.330 13.144
124 HG3 MDH 18 HG3 MDH 18 50.761 59.173 14.574
125 H CYS 19 HN CYS 19 45.751 58.550 15.994
126 HA CYS 19 HA CYS 19 45.623 59.433 18.695
127 HB2 CYS 19 HB1 CYS 19 43.609 57.712 17.296
128 HB3 CYS 19 HB2 CYS 19 43.328 58.616 18.843
129 H PHE 20 HN PHE 20 45.811 56.213 17.190
130 HA PHE 20 HA PHE 20 47.257 55.718 19.625
131 HB2 PHE 20 HB1 PHE 20 44.992 54.214 19.504
132 HB3 PHE 20 HB2 PHE 20 45.914 53.343 18.210
133 HD1 PHE 20 HD1 PHE 20 45.678 54.498 21.662
134 HD2 PHE 20 HD2 PHE 20 47.423 51.669 19.058
135 HE1 PHE 20 HE1 PHE 20 46.428 53.134 23.596
136 HE2 PHE 20 HE2 PHE 20 48.211 50.392 21.045
137 HZ PHE 20 HZ PHE 20 47.655 51.148 23.332
138 H ILE 21 HN ILE 21 49.344 54.386 19.243
139 HA ILE 21 HA ILE 21 50.174 54.196 16.567
140 HB ILE 21 HB ILE 21 50.738 56.401 17.110
141 HG12 ILE 21 1HG1 ILE 21 53.481 54.888 17.771
142 HG13 ILE 21 2HG1 ILE 21 52.627 55.057 16.179
143 HG21 ILE 21 1HG2 ILE 21 50.397 56.545 19.441
144 HG22 ILE 21 2HG2 ILE 21 51.639 55.315 19.866
145 HG23 ILE 21 3HG2 ILE 21 52.148 56.931 19.256
146 HD11 ILE 21 HD1 ILE 21 52.561 57.492 16.388
147 HD12 ILE 21 HD2 ILE 21 53.515 57.338 17.903
148 HD13 ILE 21 HD3 ILE 21 54.253 56.869 16.331
149 H GLN 22 HN GLN 22 51.562 51.349 18.005
150 HA GLN 22 HA GLN 22 52.452 53.061 15.692
151 HB2 GLN 22 HB1 GLN 22 53.890 51.282 16.973
152 HB3 GLN 22 HB2 GLN 22 52.949 50.179 15.882
153 HG2 GLN 22 HG1 GLN 22 54.953 50.561 14.863
154 HG3 GLN 22 HG2 GLN 22 53.821 51.604 13.909
155 HE21 GLN 22 1HE2 GLN 22 56.532 52.075 13.655
156 HE22 GLN 22 2HE2 GLN 22 57.122 53.365 14.651
157 H THR 23 HN THR 23 49.823 50.805 16.486
158 HA THR 23 HA THR 23 49.810 49.962 13.962
159 HB THR 23 HB THR 23 48.904 48.687 15.736
160 HG21 THR 23 1HG2 THR 23 47.478 50.559 16.734
161 HG22 THR 23 2HG2 THR 23 46.348 50.399 15.342
162 HG23 THR 23 3HG2 THR 23 46.547 49.033 16.494
163 H ALA 24 HN ALA 24 49.493 53.066 14.649
164 HA ALA 24 HA ALA 24 47.432 53.703 12.758
165 HB1 ALA 24 HB1 ALA 24 48.232 55.463 14.315
166 HB2 ALA 24 HB2 ALA 24 49.915 55.248 13.712
167 HB3 ALA 24 HB3 ALA 24 48.654 55.932 12.630
168 H THR 25 HN THR 25 50.721 52.766 12.592
169 HA THR 25 HA THR 25 49.443 51.612 10.262
170 HB THR 25 HB THR 25 52.415 51.835 9.864
171 HG21 THR 25 1HG2 THR 25 51.723 54.146 10.090
172 HG22 THR 25 2HG2 THR 25 52.231 53.706 8.416
173 HG23 THR 25 3HG2 THR 25 50.491 54.022 8.776
174 H CYS 26 HN CYS 26 48.706 50.091 11.081
175 HA CYS 26 HA CYS 26 50.607 48.038 11.229
176 HB2 CYS 26 HB1 CYS 26 49.143 46.677 12.758
177 HB3 CYS 26 HB2 CYS 26 50.046 47.963 13.645
178 H ASN 27 HN ASN 27 49.425 46.061 10.355
179 HA ASN 27 HA ASN 27 48.910 45.355 8.479
180 HB2 ASN 27 HB1 ASN 27 46.729 46.855 8.803
181 HB3 ASN 27 HB2 ASN 27 47.428 47.862 7.475
182 HD21 ASN 27 1HD2 ASN 27 46.758 47.091 5.415
183 HD22 ASN 27 2HD2 ASN 27 46.135 45.504 5.145
184 H CYS 28 HN CYS 28 49.996 48.775 8.783
185 HA CYS 28 HA CYS 28 51.784 48.379 6.668
186 HB2 CYS 28 HB1 CYS 28 52.649 50.057 9.098
187 HB3 CYS 28 HB2 CYS 28 53.007 50.312 7.343
188 H HIS 29 HN HIS 29 52.058 48.110 10.135
189 HA HIS 29 HA HIS 29 54.293 46.201 9.817
190 HB2 HIS 29 HB1 HIS 29 54.719 48.564 10.796
191 HB3 HIS 29 HB2 HIS 29 53.638 48.125 12.186
192 HD2 HIS 29 HD2 HIS 29 55.074 47.990 14.252
193 HE1 HIS 29 HE1 HIS 29 58.125 45.512 12.586
194 HE2 HIS 29 HE2 HIS 29 57.306 46.708 14.748
195 H ILE 30 HN ILE 30 54.498 45.141 11.740
196 HA ILE 30 HA ILE 30 52.710 43.459 12.982
197 HB ILE 30 HB ILE 30 55.019 44.993 14.181
198 HG12 ILE 30 1HG1 ILE 30 55.787 43.789 12.371
199 HG13 ILE 30 2HG1 ILE 30 56.077 42.759 13.827
200 HG21 ILE 30 1HG2 ILE 30 53.617 44.018 16.083
201 HG22 ILE 30 2HG2 ILE 30 53.277 42.556 15.080
202 HG23 ILE 30 3HG2 ILE 30 54.936 42.849 15.708
203 HD11 ILE 30 HD1 ILE 30 55.536 41.347 11.940
204 HD12 ILE 30 HD2 ILE 30 54.485 41.232 13.388
205 HD13 ILE 30 HD3 ILE 30 53.857 41.985 11.878
206 H DHA 31 HN DHA 31 51.351 43.515 14.286
207 HB1 DHA 31 HB1 DHA 31 48.909 44.365 13.761
208 HB2 DHA 31 HB2 DHA 31 48.083 45.171 15.258
209 H LYS 32 HN LYS 32 51.592 47.201 16.017
210 HA LYS 32 HA LYS 32 50.916 47.005 18.868
211 HB2 LYS 32 HB1 LYS 32 53.364 47.389 19.542
212 HB3 LYS 32 HB2 LYS 32 52.871 45.774 18.901
213 HG2 LYS 32 HG1 LYS 32 55.051 46.460 18.333
214 HG3 LYS 32 HG2 LYS 32 54.005 46.144 16.897
215 HD2 LYS 32 HD1 LYS 32 55.478 47.697 16.281
216 HD3 LYS 32 HD2 LYS 32 53.935 48.616 16.508
217 HE2 LYS 32 HE1 LYS 32 56.563 48.657 18.191
218 HE3 LYS 32 HE2 LYS 32 55.785 50.048 17.338
219 HZ1 LYS 32 HZ1 LYS 32 53.877 49.322 18.801
220 HZ2 LYS 32 HZ2 LYS 32 55.096 48.719 19.813
221 HZ3 LYS 32 HZ3 LYS 32 54.997 50.383 19.513
Start of MODEL 4
1 H1 TRP 1 H1 TRP 1 35.371 61.189 15.367
2 H2 TRP 1 H2 TRP 1 36.905 60.580 14.948
3 H3 TRP 1 H3 TRP 1 35.501 59.873 14.309
4 HA TRP 1 HA TRP 1 35.842 59.839 17.199
5 HB2 TRP 1 HB1 TRP 1 34.140 58.517 15.093
6 HB3 TRP 1 HB2 TRP 1 34.161 57.918 16.806
7 HD1 TRP 1 HD1 TRP 1 31.925 60.079 14.879
8 HE1 TRP 1 HE1 TRP 1 30.490 61.258 16.554
9 HE3 TRP 1 HE3 TRP 1 34.764 59.370 19.037
10 HZ2 TRP 1 HZ2 TRP 1 30.635 62.099 19.339
11 HZ3 TRP 1 HZ3 TRP 1 33.926 60.245 21.224
12 HH2 TRP 1 HH2 TRP 1 31.950 61.440 21.340
13 H LYS 2 HN LYS 2 36.296 57.488 17.952
14 HA LYS 2 HA LYS 2 38.936 57.172 17.030
15 HB2 LYS 2 HB1 LYS 2 37.327 55.959 19.389
16 HB3 LYS 2 HB2 LYS 2 39.120 55.768 19.201
17 HG2 LYS 2 HG1 LYS 2 39.070 58.422 19.136
18 HG3 LYS 2 HG2 LYS 2 37.407 58.234 19.833
19 HD2 LYS 2 HD1 LYS 2 38.480 56.866 21.674
20 HD3 LYS 2 HD2 LYS 2 40.045 57.014 20.786
21 HE2 LYS 2 HE1 LYS 2 39.931 59.546 21.358
22 HE3 LYS 2 HE2 LYS 2 38.335 59.240 22.141
23 HZ1 LYS 2 HZ1 LYS 2 40.141 59.159 23.738
24 HZ2 LYS 2 HZ2 LYS 2 39.461 57.616 23.565
25 HZ3 LYS 2 HZ3 LYS 2 40.975 57.966 22.873
26 H SER 3 HN SER 3 36.184 55.052 17.433
27 HA SER 3 HA SER 3 36.065 52.748 17.198
28 HB2 SER 3 HB1 SER 3 35.146 53.472 15.399
29 HB3 SER 3 HB2 SER 3 36.075 52.013 14.887
30 H GLN 4 HN GLN 4 37.517 52.920 18.792
31 HA GLN 4 HA GLN 4 38.718 51.589 20.274
32 HB2 GLN 4 HB1 GLN 4 39.482 49.844 17.873
33 HB3 GLN 4 HB2 GLN 4 39.721 49.666 19.658
34 HG2 GLN 4 HG1 GLN 4 36.896 49.511 18.457
35 HG3 GLN 4 HG2 GLN 4 37.998 48.163 18.928
36 HE21 GLN 4 1HE2 GLN 4 35.357 49.809 19.917
37 HE22 GLN 4 2HE2 GLN 4 35.508 49.419 21.597
38 H DHA 5 HN DHA 5 39.452 53.648 17.911
39 HB1 DHA 5 HB1 DHA 5 41.526 55.139 20.061
40 HB2 DHA 5 HB2 DHA 5 42.911 55.656 18.874
41 H PHE 6 HN PHE 6 40.448 52.808 16.155
42 HA PHE 6 HA PHE 6 42.251 53.577 14.284
43 HB2 PHE 6 HB1 PHE 6 43.135 51.062 13.842
44 HB3 PHE 6 HB2 PHE 6 44.103 52.248 14.805
45 HD1 PHE 6 HD1 PHE 6 41.809 49.419 14.927
46 HD2 PHE 6 HD2 PHE 6 44.364 51.846 17.084
47 HE1 PHE 6 HE1 PHE 6 41.193 48.175 17.024
48 HE2 PHE 6 HE2 PHE 6 43.698 50.779 19.216
49 HZ PHE 6 HZ PHE 6 42.123 48.944 19.195
50 H CYS 7 HN CYS 7 40.018 53.973 13.487
51 HA CYS 7 HA CYS 7 39.186 51.518 11.968
52 HB2 CYS 7 HB1 CYS 7 36.794 52.061 12.406
53 HB3 CYS 7 HB2 CYS 7 37.765 51.669 13.885
54 H THR 8 HN THR 8 38.753 54.975 12.537
55 HA THR 8 HA THR 8 40.601 54.898 10.231
56 HB THR 8 HB THR 8 40.504 57.505 10.295
57 HG21 THR 8 1HG2 THR 8 38.745 55.546 8.651
58 HG22 THR 8 2HG2 THR 8 39.055 57.267 8.229
59 HG23 THR 8 3HG2 THR 8 40.428 56.104 8.335
60 HA PRO 9 HA PRO 9 42.834 55.624 13.841
61 HB2 PRO 9 HB1 PRO 9 45.484 55.145 13.044
62 HB3 PRO 9 HB2 PRO 9 44.229 53.864 12.809
63 HG2 PRO 9 HG1 PRO 9 44.892 55.932 10.686
64 HG3 PRO 9 HG2 PRO 9 45.067 54.141 10.585
65 HD2 PRO 9 HD1 PRO 9 42.658 55.209 9.768
66 HD3 PRO 9 HD2 PRO 9 42.600 53.831 10.930
67 H GLY 10 HN GLY 10 42.930 57.625 11.276
68 HA2 GLY 10 HA1 GLY 10 43.515 59.818 13.118
69 HA3 GLY 10 HA2 GLY 10 44.163 59.890 11.419
70 H CYS 11 HN CYS 11 41.224 58.635 12.777
71 HA CYS 11 HA CYS 11 39.986 59.346 10.478
72 HB2 CYS 11 HB1 CYS 11 39.225 57.995 12.921
73 HB3 CYS 11 HB2 CYS 11 37.865 59.097 12.484
74 H VAL 12 HN VAL 12 38.359 62.470 12.118
75 HA VAL 12 HA VAL 12 40.961 61.730 13.015
76 HB VAL 12 HB VAL 12 40.825 63.736 14.432
77 HG11 VAL 12 1HG1 VAL 12 41.192 63.999 11.868
78 HG12 VAL 12 2HG1 VAL 12 39.431 64.357 11.840
79 HG13 VAL 12 3HG1 VAL 12 40.546 65.432 12.750
80 HG21 VAL 12 1HG2 VAL 12 38.394 63.684 15.284
81 HG22 VAL 12 2HG2 VAL 12 38.770 65.107 14.223
82 HG23 VAL 12 3HG2 VAL 12 37.843 63.704 13.564
83 H THR 13 HN THR 13 41.622 60.760 14.908
84 HA THR 13 HA THR 13 39.590 60.156 16.874
85 HB THR 13 HB THR 13 41.203 58.997 18.010
86 HG21 THR 13 1HG2 THR 13 41.787 58.207 15.136
87 HG22 THR 13 2HG2 THR 13 41.279 57.179 16.528
88 HG23 THR 13 3HG2 THR 13 40.047 58.142 15.626
89 H GLY 14 HN GLY 14 40.669 62.879 16.119
90 HA2 GLY 14 HA1 GLY 14 40.434 64.860 17.176
91 HA3 GLY 14 HA2 GLY 14 40.085 63.868 18.669
92 H VAL 15 HN VAL 15 42.782 62.871 17.497
93 HA VAL 15 HA VAL 15 44.410 64.448 19.311
94 HB VAL 15 HB VAL 15 44.325 61.887 19.048
95 HG11 VAL 15 1HG1 VAL 15 45.943 60.842 17.557
96 HG12 VAL 15 2HG1 VAL 15 44.884 61.946 16.598
97 HG13 VAL 15 3HG1 VAL 15 46.559 62.453 17.011
98 HG21 VAL 15 1HG2 VAL 15 46.569 61.672 19.860
99 HG22 VAL 15 2HG2 VAL 15 46.898 63.411 19.539
100 HG23 VAL 15 3HG2 VAL 15 45.701 62.942 20.787
101 H LEU 16 HN LEU 16 45.374 65.949 15.871
102 HA LEU 16 HA LEU 16 42.855 64.725 15.849
103 HB2 LEU 16 HB1 LEU 16 44.571 66.181 13.967
104 HB3 LEU 16 HB2 LEU 16 43.159 65.253 13.322
105 HG LEU 16 HG LEU 16 41.699 66.332 14.965
106 HD11 LEU 16 1HD1 LEU 16 42.345 68.511 15.986
107 HD12 LEU 16 2HD1 LEU 16 42.955 67.008 16.793
108 HD13 LEU 16 3HD1 LEU 16 44.091 68.065 15.872
109 HD21 LEU 16 1HD2 LEU 16 41.527 68.466 13.585
110 HD22 LEU 16 2HD2 LEU 16 43.287 68.319 13.209
111 HD23 LEU 16 3HD2 LEU 16 42.108 67.134 12.526
112 H GLN 17 HN GLN 17 46.039 63.976 14.274
113 HA GLN 17 HA GLN 17 44.939 61.487 13.424
114 HB2 GLN 17 HB1 GLN 17 47.153 63.183 12.129
115 HB3 GLN 17 HB2 GLN 17 46.895 61.450 11.660
116 HG2 GLN 17 HG1 GLN 17 44.422 62.200 11.334
117 HG3 GLN 17 HG2 GLN 17 44.851 63.928 11.622
118 HE21 GLN 17 1HE2 GLN 17 45.682 60.907 9.465
119 HE22 GLN 17 2HE2 GLN 17 46.189 61.952 8.184
120 H MDH 18 HN MDH 18 46.088 59.629 13.631
121 HB MDH 18 HB1 MDH 18 48.615 57.282 14.892
122 HG1 MDH 18 HG1 MDH 18 50.220 58.369 13.430
123 HG2 MDH 18 HG2 MDH 18 49.010 57.585 12.349
124 HG3 MDH 18 HG3 MDH 18 48.947 59.367 12.630
125 H CYS 19 HN CYS 19 45.541 57.839 15.661
126 HA CYS 19 HA CYS 19 45.539 58.813 18.410
127 HB2 CYS 19 HB1 CYS 19 43.664 57.152 16.634
128 HB3 CYS 19 HB2 CYS 19 43.366 57.659 18.340
129 H PHE 20 HN PHE 20 46.881 55.954 16.797
130 HA PHE 20 HA PHE 20 47.399 55.236 19.417
131 HB2 PHE 20 HB1 PHE 20 45.605 53.559 18.362
132 HB3 PHE 20 HB2 PHE 20 46.893 53.069 17.186
133 HD1 PHE 20 HD1 PHE 20 45.454 52.805 20.281
134 HD2 PHE 20 HD2 PHE 20 49.020 52.041 18.165
135 HE1 PHE 20 HE1 PHE 20 46.367 51.604 22.307
136 HE2 PHE 20 HE2 PHE 20 49.879 50.733 19.978
137 HZ PHE 20 HZ PHE 20 48.537 50.533 22.075
138 H ILE 21 HN ILE 21 49.527 54.562 19.586
139 HA ILE 21 HA ILE 21 51.177 54.438 17.150
140 HB ILE 21 HB ILE 21 51.999 55.538 19.781
141 HG12 ILE 21 1HG1 ILE 21 52.009 57.076 17.164
142 HG13 ILE 21 2HG1 ILE 21 50.484 56.938 18.122
143 HG21 ILE 21 1HG2 ILE 21 53.970 54.442 18.658
144 HG22 ILE 21 2HG2 ILE 21 53.469 55.221 17.110
145 HG23 ILE 21 3HG2 ILE 21 54.066 56.235 18.478
146 HD11 ILE 21 HD1 ILE 21 53.248 57.879 19.056
147 HD12 ILE 21 HD2 ILE 21 51.830 58.954 18.767
148 HD13 ILE 21 HD3 ILE 21 51.848 57.843 20.187
149 H GLN 22 HN GLN 22 52.166 51.249 18.399
150 HA GLN 22 HA GLN 22 52.816 52.994 16.337
151 HB2 GLN 22 HB1 GLN 22 53.733 50.401 16.933
152 HB3 GLN 22 HB2 GLN 22 52.690 50.257 15.460
153 HG2 GLN 22 HG1 GLN 22 54.996 50.783 14.642
154 HG3 GLN 22 HG2 GLN 22 53.996 52.268 14.465
155 HE21 GLN 22 1HE2 GLN 22 55.781 53.750 14.605
156 HE22 GLN 22 2HE2 GLN 22 56.712 53.929 16.059
157 H THR 23 HN THR 23 50.153 50.872 17.000
158 HA THR 23 HA THR 23 49.931 49.982 14.755
159 HB THR 23 HB THR 23 48.845 49.097 16.752
160 HG21 THR 23 1HG2 THR 23 47.379 51.077 16.979
161 HG22 THR 23 2HG2 THR 23 46.363 50.410 15.651
162 HG23 THR 23 3HG2 THR 23 46.654 49.431 17.133
163 H ALA 24 HN ALA 24 49.384 52.950 14.679
164 HA ALA 24 HA ALA 24 47.464 52.922 12.449
165 HB1 ALA 24 HB1 ALA 24 47.382 55.025 13.769
166 HB2 ALA 24 HB2 ALA 24 49.177 55.181 13.712
167 HB3 ALA 24 HB3 ALA 24 48.196 55.551 12.253
168 H THR 25 HN THR 25 50.896 52.399 12.891
169 HA THR 25 HA THR 25 49.247 50.819 11.518
170 HB THR 25 HB THR 25 51.541 49.859 10.067
171 HG21 THR 25 1HG2 THR 25 52.570 52.190 9.972
172 HG22 THR 25 2HG2 THR 25 51.784 51.731 8.419
173 HG23 THR 25 3HG2 THR 25 50.926 52.805 9.591
174 H CYS 26 HN CYS 26 49.037 49.105 12.200
175 HA CYS 26 HA CYS 26 50.922 47.156 12.713
176 HB2 CYS 26 HB1 CYS 26 49.428 46.226 14.499
177 HB3 CYS 26 HB2 CYS 26 50.181 47.708 15.200
178 H ASN 27 HN ASN 27 49.789 45.279 11.821
179 HA ASN 27 HA ASN 27 48.524 44.411 10.397
180 HB2 ASN 27 HB1 ASN 27 46.348 46.558 10.460
181 HB3 ASN 27 HB2 ASN 27 46.369 45.024 9.496
182 HD21 ASN 27 1HD2 ASN 27 44.660 46.075 12.009
183 HD22 ASN 27 2HD2 ASN 27 44.910 44.736 13.081
184 H CYS 28 HN CYS 28 49.101 47.903 9.835
185 HA CYS 28 HA CYS 28 50.270 47.216 7.283
186 HB2 CYS 28 HB1 CYS 28 51.303 49.654 7.641
187 HB3 CYS 28 HB2 CYS 28 49.580 49.468 7.127
188 H HIS 29 HN HIS 29 51.042 46.410 10.271
189 HA HIS 29 HA HIS 29 53.951 46.320 10.045
190 HB2 HIS 29 HB1 HIS 29 53.540 48.612 10.400
191 HB3 HIS 29 HB2 HIS 29 52.848 48.229 12.031
192 HD2 HIS 29 HD2 HIS 29 54.870 48.802 13.966
193 HE1 HIS 29 HE1 HIS 29 58.146 47.452 11.823
194 HE2 HIS 29 HE2 HIS 29 57.317 48.541 13.946
195 H ILE 30 HN ILE 30 54.801 45.940 12.304
196 HA ILE 30 HA ILE 30 53.479 43.838 13.657
197 HB ILE 30 HB ILE 30 55.661 45.575 14.754
198 HG12 ILE 30 1HG1 ILE 30 56.723 44.998 12.716
199 HG13 ILE 30 2HG1 ILE 30 57.222 43.874 14.044
200 HG21 ILE 30 1HG2 ILE 30 56.247 43.555 16.097
201 HG22 ILE 30 2HG2 ILE 30 54.472 43.786 16.295
202 HG23 ILE 30 3HG2 ILE 30 55.108 42.560 15.130
203 HD11 ILE 30 HD1 ILE 30 55.162 43.095 11.923
204 HD12 ILE 30 HD2 ILE 30 56.916 42.668 11.869
205 HD13 ILE 30 HD3 ILE 30 55.878 42.034 13.203
206 H DHA 31 HN DHA 31 51.807 44.022 14.664
207 HB1 DHA 31 HB1 DHA 31 49.703 43.657 15.176
208 HB2 DHA 31 HB2 DHA 31 48.971 44.233 16.824
209 H LYS 32 HN LYS 32 52.113 47.509 16.643
210 HA LYS 32 HA LYS 32 51.770 47.160 19.475
211 HB2 LYS 32 HB1 LYS 32 54.236 47.671 19.837
212 HB3 LYS 32 HB2 LYS 32 53.541 46.041 19.481
213 HG2 LYS 32 HG1 LYS 32 55.652 46.268 18.585
214 HG3 LYS 32 HG2 LYS 32 54.542 46.069 17.170
215 HD2 LYS 32 HD1 LYS 32 56.313 47.619 16.672
216 HD3 LYS 32 HD2 LYS 32 54.707 48.453 16.767
217 HE2 LYS 32 HE1 LYS 32 56.665 48.327 19.232
218 HE3 LYS 32 HE2 LYS 32 57.058 49.438 17.853
219 HZ1 LYS 32 HZ1 LYS 32 54.496 49.585 19.220
220 HZ2 LYS 32 HZ2 LYS 32 55.909 50.313 19.830
221 HZ3 LYS 32 HZ3 LYS 32 55.305 50.766 18.302
Start of MODEL 5
1 H1 TRP 1 H1 TRP 1 37.050 59.656 14.356
2 H2 TRP 1 H2 TRP 1 35.933 58.955 13.277
3 H3 TRP 1 H3 TRP 1 35.524 60.373 14.124
4 HA TRP 1 HA TRP 1 35.604 59.164 16.203
5 HB2 TRP 1 HB1 TRP 1 34.546 57.240 14.065
6 HB3 TRP 1 HB2 TRP 1 34.197 57.203 15.844
7 HD1 TRP 1 HD1 TRP 1 32.972 59.092 12.592
8 HE1 TRP 1 HE1 TRP 1 31.017 60.626 13.252
9 HE3 TRP 1 HE3 TRP 1 33.033 58.479 17.585
10 HZ2 TRP 1 HZ2 TRP 1 29.903 61.684 15.497
11 HZ3 TRP 1 HZ3 TRP 1 31.423 59.751 18.957
12 HH2 TRP 1 HH2 TRP 1 29.968 61.449 17.938
13 H LYS 2 HN LYS 2 36.103 57.227 17.518
14 HA LYS 2 HA LYS 2 38.822 57.019 17.079
15 HB2 LYS 2 HB1 LYS 2 36.889 56.511 19.260
16 HB3 LYS 2 HB2 LYS 2 38.639 56.100 19.503
17 HG2 LYS 2 HG1 LYS 2 39.251 58.392 18.749
18 HG3 LYS 2 HG2 LYS 2 37.486 58.761 18.796
19 HD2 LYS 2 HD1 LYS 2 37.300 58.236 21.197
20 HD3 LYS 2 HD2 LYS 2 39.014 57.667 21.131
21 HE2 LYS 2 HE1 LYS 2 39.792 60.027 20.577
22 HE3 LYS 2 HE2 LYS 2 38.141 60.664 20.949
23 HZ1 LYS 2 HZ1 LYS 2 39.619 60.825 22.735
24 HZ2 LYS 2 HZ2 LYS 2 38.245 59.920 23.173
25 HZ3 LYS 2 HZ3 LYS 2 39.706 59.127 22.825
26 H SER 3 HN SER 3 36.229 54.695 17.580
27 HA SER 3 HA SER 3 36.230 52.541 18.034
28 HB2 SER 3 HB1 SER 3 35.461 52.488 16.020
29 HB3 SER 3 HB2 SER 3 36.534 51.056 16.293
30 H GLN 4 HN GLN 4 37.161 52.658 19.776
31 HA GLN 4 HA GLN 4 38.514 52.090 21.572
32 HB2 GLN 4 HB1 GLN 4 40.044 50.347 19.829
33 HB3 GLN 4 HB2 GLN 4 39.904 50.412 21.632
34 HG2 GLN 4 HG1 GLN 4 37.664 49.740 19.662
35 HG3 GLN 4 HG2 GLN 4 38.664 48.489 20.493
36 HE21 GLN 4 1HE2 GLN 4 35.727 50.096 20.620
37 HE22 GLN 4 2HE2 GLN 4 35.381 49.998 22.318
38 H DHA 5 HN DHA 5 39.463 53.969 19.181
39 HB1 DHA 5 HB1 DHA 5 40.709 56.238 20.952
40 HB2 DHA 5 HB2 DHA 5 42.225 56.775 19.948
41 H PHE 6 HN PHE 6 40.652 52.941 17.763
42 HA PHE 6 HA PHE 6 42.342 53.427 15.704
43 HB2 PHE 6 HB1 PHE 6 44.266 51.793 16.025
44 HB3 PHE 6 HB2 PHE 6 44.311 53.159 17.216
45 HD1 PHE 6 HD1 PHE 6 43.640 49.613 17.009
46 HD2 PHE 6 HD2 PHE 6 43.986 52.984 19.572
47 HE1 PHE 6 HE1 PHE 6 43.465 48.166 18.936
48 HE2 PHE 6 HE2 PHE 6 43.519 51.573 21.467
49 HZ PHE 6 HZ PHE 6 43.447 49.228 21.224
50 H CYS 7 HN CYS 7 40.000 53.091 15.410
51 HA CYS 7 HA CYS 7 40.119 50.523 13.990
52 HB2 CYS 7 HB1 CYS 7 37.824 50.489 13.566
53 HB3 CYS 7 HB2 CYS 7 38.368 50.553 15.296
54 H THR 8 HN THR 8 40.006 54.118 13.828
55 HA THR 8 HA THR 8 41.744 53.472 11.728
56 HB THR 8 HB THR 8 41.512 55.996 10.936
57 HG21 THR 8 1HG2 THR 8 41.912 54.258 9.473
58 HG22 THR 8 2HG2 THR 8 40.332 53.442 9.766
59 HG23 THR 8 3HG2 THR 8 40.377 55.052 8.960
60 HA PRO 9 HA PRO 9 43.614 55.082 15.193
61 HB2 PRO 9 HB1 PRO 9 46.390 55.361 14.345
62 HB3 PRO 9 HB2 PRO 9 45.621 53.738 14.549
63 HG2 PRO 9 HG1 PRO 9 46.148 55.308 11.922
64 HG3 PRO 9 HG2 PRO 9 46.262 53.544 12.299
65 HD2 PRO 9 HD1 PRO 9 43.968 54.622 11.153
66 HD3 PRO 9 HD2 PRO 9 44.126 53.166 12.206
67 H GLY 10 HN GLY 10 43.660 56.797 12.404
68 HA2 GLY 10 HA1 GLY 10 43.520 59.248 13.934
69 HA3 GLY 10 HA2 GLY 10 44.606 59.276 12.470
70 H CYS 11 HN CYS 11 41.281 58.040 13.323
71 HA CYS 11 HA CYS 11 40.642 58.100 10.736
72 HB2 CYS 11 HB1 CYS 11 39.765 56.988 13.104
73 HB3 CYS 11 HB2 CYS 11 38.235 57.677 12.446
74 H VAL 12 HN VAL 12 38.329 61.077 11.618
75 HA VAL 12 HA VAL 12 40.907 61.091 12.755
76 HB VAL 12 HB VAL 12 40.354 63.119 13.862
77 HG11 VAL 12 1HG1 VAL 12 40.230 64.398 11.550
78 HG12 VAL 12 2HG1 VAL 12 41.217 62.903 11.340
79 HG13 VAL 12 3HG1 VAL 12 39.492 62.924 10.819
80 HG21 VAL 12 1HG2 VAL 12 38.178 64.378 13.278
81 HG22 VAL 12 2HG2 VAL 12 37.640 62.962 12.318
82 HG23 VAL 12 3HG2 VAL 12 37.919 62.794 14.085
83 H THR 13 HN THR 13 41.545 60.927 14.854
84 HA THR 13 HA THR 13 39.492 59.872 16.732
85 HB THR 13 HB THR 13 41.200 59.028 18.172
86 HG21 THR 13 1HG2 THR 13 41.774 57.245 16.533
87 HG22 THR 13 2HG2 THR 13 40.236 57.964 15.915
88 HG23 THR 13 3HG2 THR 13 41.820 58.451 15.194
89 H GLY 14 HN GLY 14 40.731 62.609 15.778
90 HA2 GLY 14 HA1 GLY 14 40.090 64.643 16.264
91 HA3 GLY 14 HA2 GLY 14 39.494 64.133 17.909
92 H VAL 15 HN VAL 15 42.315 62.785 17.702
93 HA VAL 15 HA VAL 15 43.513 64.890 18.994
94 HB VAL 15 HB VAL 15 43.842 62.226 19.169
95 HG11 VAL 15 1HG1 VAL 15 45.127 62.072 16.905
96 HG12 VAL 15 2HG1 VAL 15 46.343 63.202 17.615
97 HG13 VAL 15 3HG1 VAL 15 46.028 61.598 18.391
98 HG21 VAL 15 1HG2 VAL 15 45.312 62.703 20.753
99 HG22 VAL 15 2HG2 VAL 15 46.162 64.044 19.910
100 HG23 VAL 15 3HG2 VAL 15 44.554 64.339 20.667
101 H LEU 16 HN LEU 16 45.199 65.799 15.606
102 HA LEU 16 HA LEU 16 42.594 64.572 15.431
103 HB2 LEU 16 HB1 LEU 16 44.607 65.939 13.463
104 HB3 LEU 16 HB2 LEU 16 43.081 65.119 12.933
105 HG LEU 16 HG LEU 16 42.832 67.037 15.127
106 HD11 LEU 16 1HD1 LEU 16 44.423 68.358 13.478
107 HD12 LEU 16 2HD1 LEU 16 43.108 68.061 12.292
108 HD13 LEU 16 3HD1 LEU 16 42.804 69.107 13.729
109 HD21 LEU 16 1HD2 LEU 16 40.868 67.768 13.833
110 HD22 LEU 16 2HD2 LEU 16 41.209 66.437 12.682
111 HD23 LEU 16 3HD2 LEU 16 40.719 66.053 14.370
112 H GLN 17 HN GLN 17 45.939 63.855 14.653
113 HA GLN 17 HA GLN 17 45.153 61.098 13.965
114 HB2 GLN 17 HB1 GLN 17 47.371 62.709 12.636
115 HB3 GLN 17 HB2 GLN 17 46.721 61.091 12.162
116 HG2 GLN 17 HG1 GLN 17 44.387 62.441 12.156
117 HG3 GLN 17 HG2 GLN 17 45.546 63.805 11.927
118 HE21 GLN 17 1HE2 GLN 17 44.089 60.895 10.341
119 HE22 GLN 17 2HE2 GLN 17 44.673 61.242 8.753
120 H MDH 18 HN MDH 18 46.734 59.405 14.348
121 HB MDH 18 HB1 MDH 18 49.273 57.913 16.635
122 HG1 MDH 18 HG1 MDH 18 51.142 58.484 15.511
123 HG2 MDH 18 HG2 MDH 18 50.216 58.301 13.969
124 HG3 MDH 18 HG3 MDH 18 50.350 59.915 14.758
125 H CYS 19 HN CYS 19 45.607 58.414 16.586
126 HA CYS 19 HA CYS 19 45.600 59.213 19.299
127 HB2 CYS 19 HB1 CYS 19 43.574 57.498 17.754
128 HB3 CYS 19 HB2 CYS 19 43.439 58.575 19.192
129 H PHE 20 HN PHE 20 46.701 56.462 17.723
130 HA PHE 20 HA PHE 20 47.699 55.815 20.398
131 HB2 PHE 20 HB1 PHE 20 45.650 54.338 20.047
132 HB3 PHE 20 HB2 PHE 20 46.420 53.829 18.497
133 HD1 PHE 20 HD1 PHE 20 47.184 54.019 22.116
134 HD2 PHE 20 HD2 PHE 20 47.798 51.970 18.451
135 HE1 PHE 20 HE1 PHE 20 48.657 52.566 23.238
136 HE2 PHE 20 HE2 PHE 20 49.386 50.400 19.632
137 HZ PHE 20 HZ PHE 20 49.761 50.636 21.982
138 H ILE 21 HN ILE 21 49.563 54.461 20.065
139 HA ILE 21 HA ILE 21 50.770 54.508 17.498
140 HB ILE 21 HB ILE 21 52.949 55.357 18.429
141 HG12 ILE 21 1HG1 ILE 21 51.372 56.782 20.620
142 HG13 ILE 21 2HG1 ILE 21 52.097 55.156 20.916
143 HG21 ILE 21 1HG2 ILE 21 50.837 57.542 18.451
144 HG22 ILE 21 2HG2 ILE 21 52.552 57.518 17.895
145 HG23 ILE 21 3HG2 ILE 21 51.273 56.694 16.925
146 HD11 ILE 21 HD1 ILE 21 53.757 57.511 19.936
147 HD12 ILE 21 HD2 ILE 21 53.827 56.786 21.589
148 HD13 ILE 21 HD3 ILE 21 54.305 55.812 20.155
149 H GLN 22 HN GLN 22 52.417 51.644 18.883
150 HA GLN 22 HA GLN 22 52.353 53.581 16.672
151 HB2 GLN 22 HB1 GLN 22 54.611 52.999 17.823
152 HB3 GLN 22 HB2 GLN 22 54.641 51.514 16.791
153 HG2 GLN 22 HG1 GLN 22 55.960 53.328 15.880
154 HG3 GLN 22 HG2 GLN 22 54.547 53.001 14.792
155 HE21 GLN 22 1HE2 GLN 22 55.821 55.369 17.272
156 HE22 GLN 22 2HE2 GLN 22 54.880 56.703 16.689
157 H THR 23 HN THR 23 50.694 50.896 17.150
158 HA THR 23 HA THR 23 50.516 50.284 14.508
159 HB THR 23 HB THR 23 49.713 48.753 16.239
160 HG21 THR 23 1HG2 THR 23 48.430 50.041 17.661
161 HG22 THR 23 2HG2 THR 23 47.352 50.680 16.366
162 HG23 THR 23 3HG2 THR 23 47.297 48.930 16.806
163 H ALA 24 HN ALA 24 50.209 53.125 15.544
164 HA ALA 24 HA ALA 24 48.464 53.863 13.381
165 HB1 ALA 24 HB1 ALA 24 50.375 55.691 14.961
166 HB2 ALA 24 HB2 ALA 24 49.417 56.187 13.518
167 HB3 ALA 24 HB3 ALA 24 48.571 55.619 15.002
168 H THR 25 HN THR 25 51.756 52.984 13.272
169 HA THR 25 HA THR 25 50.242 52.414 10.917
170 HB THR 25 HB THR 25 53.290 51.975 10.624
171 HG21 THR 25 1HG2 THR 25 52.966 54.416 10.803
172 HG22 THR 25 2HG2 THR 25 53.418 53.867 9.145
173 HG23 THR 25 3HG2 THR 25 51.738 54.415 9.489
174 H CYS 26 HN CYS 26 49.145 50.585 11.642
175 HA CYS 26 HA CYS 26 50.661 48.365 11.263
176 HB2 CYS 26 HB1 CYS 26 49.605 47.043 13.108
177 HB3 CYS 26 HB2 CYS 26 50.634 48.350 13.813
178 H ASN 27 HN ASN 27 48.827 46.752 10.409
179 HA ASN 27 HA ASN 27 48.150 46.847 8.350
180 HB2 ASN 27 HB1 ASN 27 46.302 48.417 8.820
181 HB3 ASN 27 HB2 ASN 27 47.368 49.814 8.395
182 HD21 ASN 27 1HD2 ASN 27 46.382 46.584 6.732
183 HD22 ASN 27 2HD2 ASN 27 46.344 47.385 5.197
184 H CYS 28 HN CYS 28 50.407 49.309 9.533
185 HA CYS 28 HA CYS 28 51.947 49.029 7.158
186 HB2 CYS 28 HB1 CYS 28 52.943 49.814 9.943
187 HB3 CYS 28 HB2 CYS 28 53.636 50.136 8.304
188 H HIS 29 HN HIS 29 52.311 47.855 10.583
189 HA HIS 29 HA HIS 29 52.287 45.309 9.659
190 HB2 HIS 29 HB1 HIS 29 54.630 45.520 9.167
191 HB3 HIS 29 HB2 HIS 29 55.112 46.161 10.786
192 HD2 HIS 29 HD2 HIS 29 55.375 44.101 12.737
193 HE1 HIS 29 HE1 HIS 29 54.280 40.906 10.230
194 HE2 HIS 29 HE2 HIS 29 55.113 41.511 12.503
195 H ILE 30 HN ILE 30 52.669 43.901 11.536
196 HA ILE 30 HA ILE 30 50.505 44.180 13.008
197 HB ILE 30 HB ILE 30 52.803 42.463 13.897
198 HG12 ILE 30 1HG1 ILE 30 50.516 41.780 12.097
199 HG13 ILE 30 2HG1 ILE 30 52.127 42.174 11.383
200 HG21 ILE 30 1HG2 ILE 30 51.201 42.479 15.731
201 HG22 ILE 30 2HG2 ILE 30 49.803 42.481 14.594
202 HG23 ILE 30 3HG2 ILE 30 50.853 41.028 14.713
203 HD11 ILE 30 HD1 ILE 30 51.535 39.778 13.120
204 HD12 ILE 30 HD2 ILE 30 51.929 39.867 11.360
205 HD13 ILE 30 HD3 ILE 30 53.137 40.402 12.587
206 H DHA 31 HN DHA 31 49.795 44.542 14.885
207 HB1 DHA 31 HB1 DHA 31 48.028 45.458 15.745
208 HB2 DHA 31 HB2 DHA 31 48.216 46.466 17.344
209 H LYS 32 HN LYS 32 52.021 47.416 15.996
210 HA LYS 32 HA LYS 32 53.046 47.199 18.714
211 HB2 LYS 32 HB1 LYS 32 55.109 48.419 17.969
212 HB3 LYS 32 HB2 LYS 32 54.654 46.929 17.046
213 HG2 LYS 32 HG1 LYS 32 53.923 49.691 15.784
214 HG3 LYS 32 HG2 LYS 32 55.599 49.031 15.877
215 HD2 LYS 32 HD1 LYS 32 54.833 46.781 15.034
216 HD3 LYS 32 HD2 LYS 32 53.322 47.705 14.665
217 HE2 LYS 32 HE1 LYS 32 56.194 48.207 13.659
218 HE3 LYS 32 HE2 LYS 32 54.868 47.528 12.633
219 HZ1 LYS 32 HZ1 LYS 32 55.111 49.655 12.086
220 HZ2 LYS 32 HZ2 LYS 32 53.639 49.692 12.924
221 HZ3 LYS 32 HZ3 LYS 32 55.055 50.248 13.682
Start of MODEL 6
1 H1 TRP 1 H1 TRP 1 33.940 56.157 13.163
2 H2 TRP 1 H2 TRP 1 33.766 57.850 13.259
3 H3 TRP 1 H3 TRP 1 35.320 57.155 13.139
4 HA TRP 1 HA TRP 1 34.036 58.045 15.212
5 HB2 TRP 1 HB1 TRP 1 33.602 55.045 15.274
6 HB3 TRP 1 HB2 TRP 1 33.913 55.882 16.844
7 HD1 TRP 1 HD1 TRP 1 31.183 55.785 14.166
8 HE1 TRP 1 HE1 TRP 1 29.138 56.665 15.345
9 HE3 TRP 1 HE3 TRP 1 33.423 57.691 18.335
10 HZ2 TRP 1 HZ2 TRP 1 28.507 57.969 17.892
11 HZ3 TRP 1 HZ3 TRP 1 32.209 58.805 19.937
12 HH2 TRP 1 HH2 TRP 1 29.740 58.855 19.836
13 H LYS 2 HN LYS 2 35.558 57.446 17.449
14 HA LYS 2 HA LYS 2 38.262 57.229 16.494
15 HB2 LYS 2 HB1 LYS 2 37.450 58.735 18.355
16 HB3 LYS 2 HB2 LYS 2 36.845 57.273 19.243
17 HG2 LYS 2 HG1 LYS 2 38.994 56.395 19.598
18 HG3 LYS 2 HG2 LYS 2 39.801 57.711 18.651
19 HD2 LYS 2 HD1 LYS 2 38.179 57.996 21.186
20 HD3 LYS 2 HD2 LYS 2 39.972 58.161 20.999
21 HE2 LYS 2 HE1 LYS 2 39.834 60.003 19.444
22 HE3 LYS 2 HE2 LYS 2 38.037 60.127 19.585
23 HZ1 LYS 2 HZ1 LYS 2 40.055 60.487 21.580
24 HZ2 LYS 2 HZ2 LYS 2 39.067 61.748 21.009
25 HZ3 LYS 2 HZ3 LYS 2 38.421 60.540 22.024
26 H SER 3 HN SER 3 35.912 54.978 18.048
27 HA SER 3 HA SER 3 36.111 52.823 18.468
28 HB2 SER 3 HB1 SER 3 34.935 52.672 16.559
29 HB3 SER 3 HB2 SER 3 36.191 51.373 16.545
30 H GLN 4 HN GLN 4 37.324 53.183 20.114
31 HA GLN 4 HA GLN 4 38.622 52.580 21.562
32 HB2 GLN 4 HB1 GLN 4 39.583 50.437 19.593
33 HB3 GLN 4 HB2 GLN 4 39.962 50.414 21.369
34 HG2 GLN 4 HG1 GLN 4 37.182 50.256 20.075
35 HG3 GLN 4 HG2 GLN 4 38.136 48.809 20.602
36 HE21 GLN 4 1HE2 GLN 4 37.693 48.077 22.725
37 HE22 GLN 4 2HE2 GLN 4 36.846 48.989 23.938
38 H DHA 5 HN DHA 5 39.528 54.041 19.059
39 HB1 DHA 5 HB1 DHA 5 41.498 55.811 21.037
40 HB2 DHA 5 HB2 DHA 5 42.924 56.153 19.838
41 H PHE 6 HN PHE 6 40.768 52.616 17.796
42 HA PHE 6 HA PHE 6 42.061 53.389 15.321
43 HB2 PHE 6 HB1 PHE 6 43.139 50.901 15.507
44 HB3 PHE 6 HB2 PHE 6 43.941 52.315 16.288
45 HD1 PHE 6 HD1 PHE 6 41.161 49.641 17.039
46 HD2 PHE 6 HD2 PHE 6 44.640 51.845 18.323
47 HE1 PHE 6 HE1 PHE 6 40.967 48.718 19.198
48 HE2 PHE 6 HE2 PHE 6 44.363 50.857 20.545
49 HZ PHE 6 HZ PHE 6 42.541 49.330 21.014
50 H CYS 7 HN CYS 7 39.591 53.633 15.144
51 HA CYS 7 HA CYS 7 39.259 51.300 13.298
52 HB2 CYS 7 HB1 CYS 7 36.792 51.277 13.672
53 HB3 CYS 7 HB2 CYS 7 37.759 51.234 15.195
54 H THR 8 HN THR 8 39.330 54.826 13.807
55 HA THR 8 HA THR 8 40.666 54.166 11.541
56 HB THR 8 HB THR 8 40.886 56.762 10.987
57 HG21 THR 8 1HG2 THR 8 40.735 55.176 9.384
58 HG22 THR 8 2HG2 THR 8 39.017 54.811 9.786
59 HG23 THR 8 3HG2 THR 8 39.440 56.361 8.971
60 HA PRO 9 HA PRO 9 43.221 55.038 14.870
61 HB2 PRO 9 HB1 PRO 9 45.621 54.542 14.043
62 HB3 PRO 9 HB2 PRO 9 44.462 53.144 13.992
63 HG2 PRO 9 HG1 PRO 9 45.157 55.111 11.838
64 HG3 PRO 9 HG2 PRO 9 45.107 53.309 11.630
65 HD2 PRO 9 HD1 PRO 9 43.000 54.991 10.925
66 HD3 PRO 9 HD2 PRO 9 42.653 53.330 11.558
67 H GLY 10 HN GLY 10 43.397 56.895 12.125
68 HA2 GLY 10 HA1 GLY 10 44.238 59.261 13.721
69 HA3 GLY 10 HA2 GLY 10 44.858 58.948 12.029
70 H CYS 11 HN CYS 11 41.519 58.482 13.347
71 HA CYS 11 HA CYS 11 40.675 58.777 10.797
72 HB2 CYS 11 HB1 CYS 11 39.621 58.144 13.373
73 HB3 CYS 11 HB2 CYS 11 38.494 59.352 12.625
74 H VAL 12 HN VAL 12 39.157 62.307 11.478
75 HA VAL 12 HA VAL 12 41.618 61.801 12.726
76 HB VAL 12 HB VAL 12 41.369 63.837 13.918
77 HG11 VAL 12 1HG1 VAL 12 40.444 64.479 11.087
78 HG12 VAL 12 2HG1 VAL 12 41.677 65.288 12.120
79 HG13 VAL 12 3HG1 VAL 12 41.995 63.640 11.479
80 HG21 VAL 12 1HG2 VAL 12 38.476 63.965 12.574
81 HG22 VAL 12 2HG2 VAL 12 38.795 63.622 14.314
82 HG23 VAL 12 3HG2 VAL 12 39.168 65.256 13.630
83 H THR 13 HN THR 13 42.248 61.181 14.747
84 HA THR 13 HA THR 13 40.060 60.436 16.651
85 HB THR 13 HB THR 13 41.666 59.301 17.985
86 HG21 THR 13 1HG2 THR 13 41.738 57.290 16.749
87 HG22 THR 13 2HG2 THR 13 40.491 58.169 15.805
88 HG23 THR 13 3HG2 THR 13 42.182 58.092 15.203
89 H GLY 14 HN GLY 14 41.778 62.956 15.725
90 HA2 GLY 14 HA1 GLY 14 40.887 64.966 16.357
91 HA3 GLY 14 HA2 GLY 14 40.313 64.184 17.901
92 H VAL 15 HN VAL 15 43.246 63.133 17.669
93 HA VAL 15 HA VAL 15 44.483 64.948 19.375
94 HB VAL 15 HB VAL 15 44.392 62.625 19.344
95 HG11 VAL 15 1HG1 VAL 15 44.748 62.120 16.921
96 HG12 VAL 15 2HG1 VAL 15 46.476 62.592 17.094
97 HG13 VAL 15 3HG1 VAL 15 45.862 61.101 17.902
98 HG21 VAL 15 1HG2 VAL 15 45.995 63.401 20.876
99 HG22 VAL 15 2HG2 VAL 15 46.810 62.015 20.051
100 HG23 VAL 15 3HG2 VAL 15 47.218 63.708 19.584
101 H LEU 16 HN LEU 16 45.964 65.926 15.866
102 HA LEU 16 HA LEU 16 43.280 64.912 15.472
103 HB2 LEU 16 HB1 LEU 16 45.467 66.529 14.140
104 HB3 LEU 16 HB2 LEU 16 44.112 65.742 13.222
105 HG LEU 16 HG LEU 16 42.567 66.913 14.880
106 HD11 LEU 16 1HD1 LEU 16 43.654 69.167 15.766
107 HD12 LEU 16 2HD1 LEU 16 44.759 67.849 16.320
108 HD13 LEU 16 3HD1 LEU 16 45.052 68.666 14.734
109 HD21 LEU 16 1HD2 LEU 16 44.192 68.248 12.620
110 HD22 LEU 16 2HD2 LEU 16 42.607 67.381 12.627
111 HD23 LEU 16 3HD2 LEU 16 42.720 69.039 13.310
112 H GLN 17 HN GLN 17 46.540 63.817 14.655
113 HA GLN 17 HA GLN 17 45.370 61.279 14.330
114 HB2 GLN 17 HB1 GLN 17 46.543 60.726 12.238
115 HB3 GLN 17 HB2 GLN 17 45.246 61.966 12.024
116 HG2 GLN 17 HG1 GLN 17 47.412 63.636 12.158
117 HG3 GLN 17 HG2 GLN 17 48.346 62.103 11.964
118 HE21 GLN 17 1HE2 GLN 17 47.140 60.769 9.904
119 HE22 GLN 17 2HE2 GLN 17 47.173 61.750 8.473
120 H MDH 18 HN MDH 18 47.284 59.382 13.793
121 HB MDH 18 HB1 MDH 18 49.437 57.534 15.819
122 HG1 MDH 18 HG1 MDH 18 50.157 58.456 13.178
123 HG2 MDH 18 HG2 MDH 18 50.616 59.841 14.244
124 HG3 MDH 18 HG3 MDH 18 51.327 58.202 14.534
125 H CYS 19 HN CYS 19 46.109 57.981 15.948
126 HA CYS 19 HA CYS 19 45.971 58.968 18.672
127 HB2 CYS 19 HB1 CYS 19 43.833 57.316 17.057
128 HB3 CYS 19 HB2 CYS 19 43.677 58.153 18.652
129 H PHE 20 HN PHE 20 46.549 56.007 17.008
130 HA PHE 20 HA PHE 20 47.731 55.111 19.478
131 HB2 PHE 20 HB1 PHE 20 45.561 53.860 18.812
132 HB3 PHE 20 HB2 PHE 20 46.568 53.163 17.480
133 HD1 PHE 20 HD1 PHE 20 45.950 53.501 21.096
134 HD2 PHE 20 HD2 PHE 20 48.402 51.645 18.201
135 HE1 PHE 20 HE1 PHE 20 47.021 52.129 22.934
136 HE2 PHE 20 HE2 PHE 20 49.199 50.069 19.887
137 HZ PHE 20 HZ PHE 20 48.556 50.387 22.254
138 H ILE 21 HN ILE 21 49.758 54.319 19.449
139 HA ILE 21 HA ILE 21 51.028 54.228 16.846
140 HB ILE 21 HB ILE 21 52.012 55.555 19.284
141 HG12 ILE 21 1HG1 ILE 21 51.285 56.412 16.394
142 HG13 ILE 21 2HG1 ILE 21 50.430 56.835 17.933
143 HG21 ILE 21 1HG2 ILE 21 53.487 55.045 16.609
144 HG22 ILE 21 2HG2 ILE 21 54.210 55.882 18.038
145 HG23 ILE 21 3HG2 ILE 21 53.760 54.144 18.143
146 HD11 ILE 21 HD1 ILE 21 52.500 58.244 18.567
147 HD12 ILE 21 HD2 ILE 21 53.279 57.698 17.039
148 HD13 ILE 21 HD3 ILE 21 51.823 58.753 16.972
149 H GLN 22 HN GLN 22 51.988 51.119 18.028
150 HA GLN 22 HA GLN 22 52.595 53.037 15.971
151 HB2 GLN 22 HB1 GLN 22 54.179 51.164 16.817
152 HB3 GLN 22 HB2 GLN 22 53.116 50.122 15.795
153 HG2 GLN 22 HG1 GLN 22 55.015 50.820 14.362
154 HG3 GLN 22 HG2 GLN 22 53.765 52.050 13.926
155 HE21 GLN 22 1HE2 GLN 22 56.648 51.523 16.084
156 HE22 GLN 22 2HE2 GLN 22 56.938 53.217 16.238
157 H THR 23 HN THR 23 49.846 51.023 16.539
158 HA THR 23 HA THR 23 49.827 50.231 13.811
159 HB THR 23 HB THR 23 49.199 48.773 15.487
160 HG21 THR 23 1HG2 THR 23 47.792 49.974 17.128
161 HG22 THR 23 2HG2 THR 23 46.752 50.559 15.783
162 HG23 THR 23 3HG2 THR 23 46.791 48.807 16.188
163 H ALA 24 HN ALA 24 49.201 53.329 14.918
164 HA ALA 24 HA ALA 24 47.389 53.839 12.726
165 HB1 ALA 24 HB1 ALA 24 47.826 55.413 14.399
166 HB2 ALA 24 HB2 ALA 24 49.594 55.503 14.097
167 HB3 ALA 24 HB3 ALA 24 48.438 56.187 12.893
168 H THR 25 HN THR 25 50.724 52.680 12.611
169 HA THR 25 HA THR 25 49.617 52.081 10.147
170 HB THR 25 HB THR 25 52.605 52.163 9.938
171 HG21 THR 25 1HG2 THR 25 51.817 54.644 9.989
172 HG22 THR 25 2HG2 THR 25 52.278 54.125 8.326
173 HG23 THR 25 3HG2 THR 25 50.545 54.106 8.827
174 H CYS 26 HN CYS 26 48.755 50.501 10.967
175 HA CYS 26 HA CYS 26 50.416 48.334 10.978
176 HB2 CYS 26 HB1 CYS 26 48.961 46.870 12.581
177 HB3 CYS 26 HB2 CYS 26 50.093 48.018 13.410
178 H ASN 27 HN ASN 27 48.583 46.488 10.077
179 HA ASN 27 HA ASN 27 48.219 46.347 7.949
180 HB2 ASN 27 HB1 ASN 27 46.933 49.086 7.737
181 HB3 ASN 27 HB2 ASN 27 47.060 47.819 6.455
182 HD21 ASN 27 1HD2 ASN 27 45.125 49.068 8.639
183 HD22 ASN 27 2HD2 ASN 27 44.028 47.759 8.932
184 H CYS 28 HN CYS 28 49.883 49.467 8.675
185 HA CYS 28 HA CYS 28 51.637 48.948 6.621
186 HB2 CYS 28 HB1 CYS 28 52.633 50.224 9.281
187 HB3 CYS 28 HB2 CYS 28 53.222 50.349 7.577
188 H HIS 29 HN HIS 29 51.763 48.007 10.064
189 HA HIS 29 HA HIS 29 53.903 46.175 9.849
190 HB2 HIS 29 HB1 HIS 29 54.886 48.420 10.190
191 HB3 HIS 29 HB2 HIS 29 53.740 48.824 11.528
192 HD2 HIS 29 HD2 HIS 29 55.090 48.755 13.950
193 HE1 HIS 29 HE1 HIS 29 57.608 45.496 12.923
194 HE2 HIS 29 HE2 HIS 29 56.741 46.904 14.763
195 H ILE 30 HN ILE 30 54.361 45.559 12.366
196 HA ILE 30 HA ILE 30 52.292 44.129 13.156
197 HB ILE 30 HB ILE 30 54.395 45.125 15.006
198 HG12 ILE 30 1HG1 ILE 30 55.731 44.087 13.300
199 HG13 ILE 30 2HG1 ILE 30 55.472 43.006 14.725
200 HG21 ILE 30 1HG2 ILE 30 52.330 42.740 14.989
201 HG22 ILE 30 2HG2 ILE 30 53.845 42.767 15.965
202 HG23 ILE 30 3HG2 ILE 30 52.586 44.028 16.232
203 HD11 ILE 30 HD1 ILE 30 55.224 41.849 12.291
204 HD12 ILE 30 HD2 ILE 30 53.941 41.706 13.561
205 HD13 ILE 30 HD3 ILE 30 53.709 42.819 12.163
206 H DHA 31 HN DHA 31 50.591 44.464 14.080
207 HB1 DHA 31 HB1 DHA 31 48.130 45.103 14.047
208 HB2 DHA 31 HB2 DHA 31 47.574 45.913 15.666
209 H LYS 32 HN LYS 32 51.373 47.627 16.283
210 HA LYS 32 HA LYS 32 50.490 47.614 19.011
211 HB2 LYS 32 HB1 LYS 32 52.765 47.074 19.910
212 HB3 LYS 32 HB2 LYS 32 51.912 45.734 19.049
213 HG2 LYS 32 HG1 LYS 32 54.030 45.541 18.526
214 HG3 LYS 32 HG2 LYS 32 53.244 46.084 16.987
215 HD2 LYS 32 HD1 LYS 32 55.037 47.185 16.676
216 HD3 LYS 32 HD2 LYS 32 53.836 48.378 17.296
217 HE2 LYS 32 HE1 LYS 32 56.075 47.102 19.070
218 HE3 LYS 32 HE2 LYS 32 56.314 48.629 18.117
219 HZ1 LYS 32 HZ1 LYS 32 55.393 49.737 19.759
220 HZ2 LYS 32 HZ2 LYS 32 54.018 49.172 18.944
221 HZ3 LYS 32 HZ3 LYS 32 54.489 48.464 20.413
Start of MODEL 7
1 H1 TRP 1 H1 TRP 1 35.375 60.744 14.881
2 H2 TRP 1 H2 TRP 1 36.991 60.272 15.129
3 H3 TRP 1 H3 TRP 1 36.120 59.643 13.816
4 HA TRP 1 HA TRP 1 35.174 59.478 16.617
5 HB2 TRP 1 HB1 TRP 1 35.057 57.490 14.217
6 HB3 TRP 1 HB2 TRP 1 34.239 57.178 15.799
7 HD1 TRP 1 HD1 TRP 1 33.283 59.480 12.823
8 HE1 TRP 1 HE1 TRP 1 30.825 59.999 13.487
9 HE3 TRP 1 HE3 TRP 1 33.295 58.130 17.775
10 HZ2 TRP 1 HZ2 TRP 1 29.274 60.171 15.669
11 HZ3 TRP 1 HZ3 TRP 1 31.413 58.780 19.104
12 HH2 TRP 1 HH2 TRP 1 29.381 59.734 18.044
13 H LYS 2 HN LYS 2 36.305 58.516 18.331
14 HA LYS 2 HA LYS 2 39.000 57.719 17.701
15 HB2 LYS 2 HB1 LYS 2 37.117 57.285 20.098
16 HB3 LYS 2 HB2 LYS 2 38.924 57.131 20.108
17 HG2 LYS 2 HG1 LYS 2 39.319 59.384 19.549
18 HG3 LYS 2 HG2 LYS 2 37.563 59.831 19.523
19 HD2 LYS 2 HD1 LYS 2 37.599 59.115 22.082
20 HD3 LYS 2 HD2 LYS 2 39.340 58.728 21.743
21 HE2 LYS 2 HE1 LYS 2 39.699 61.226 21.270
22 HE3 LYS 2 HE2 LYS 2 37.903 61.498 21.348
23 HZ1 LYS 2 HZ1 LYS 2 38.019 61.509 23.510
24 HZ2 LYS 2 HZ2 LYS 2 38.959 60.111 23.717
25 HZ3 LYS 2 HZ3 LYS 2 39.708 61.604 23.394
26 H SER 3 HN SER 3 36.267 55.793 18.518
27 HA SER 3 HA SER 3 35.920 53.911 19.205
28 HB2 SER 3 HB1 SER 3 35.272 52.406 18.085
29 HB3 SER 3 HB2 SER 3 36.685 52.316 16.951
30 H GLN 4 HN GLN 4 37.483 53.964 20.912
31 HA GLN 4 HA GLN 4 39.261 53.301 22.150
32 HB2 GLN 4 HB1 GLN 4 38.549 50.814 20.621
33 HB3 GLN 4 HB2 GLN 4 39.571 50.834 22.121
34 HG2 GLN 4 HG1 GLN 4 36.755 52.023 22.194
35 HG3 GLN 4 HG2 GLN 4 37.146 50.266 22.337
36 HE21 GLN 4 1HE2 GLN 4 36.676 50.098 24.407
37 HE22 GLN 4 2HE2 GLN 4 37.702 50.586 25.705
38 H DHA 5 HN DHA 5 39.995 54.374 19.446
39 HB1 DHA 5 HB1 DHA 5 42.829 55.656 20.542
40 HB2 DHA 5 HB2 DHA 5 43.856 55.347 18.986
41 H PHE 6 HN PHE 6 40.259 52.891 17.897
42 HA PHE 6 HA PHE 6 41.031 53.523 15.273
43 HB2 PHE 6 HB1 PHE 6 41.365 50.786 14.595
44 HB3 PHE 6 HB2 PHE 6 42.604 51.946 15.224
45 HD1 PHE 6 HD1 PHE 6 39.801 50.144 17.155
46 HD2 PHE 6 HD2 PHE 6 44.068 50.727 16.382
47 HE1 PHE 6 HE1 PHE 6 40.408 49.201 19.285
48 HE2 PHE 6 HE2 PHE 6 44.512 49.639 18.399
49 HZ PHE 6 HZ PHE 6 42.644 48.754 19.838
50 H CYS 7 HN CYS 7 38.972 54.300 15.701
51 HA CYS 7 HA CYS 7 37.064 52.347 14.604
52 HB2 CYS 7 HB1 CYS 7 36.982 55.414 15.400
53 HB3 CYS 7 HB2 CYS 7 35.872 54.761 14.133
54 H THR 8 HN THR 8 38.857 55.201 13.872
55 HA THR 8 HA THR 8 39.795 53.669 11.840
56 HB THR 8 HB THR 8 40.292 56.262 10.798
57 HG21 THR 8 1HG2 THR 8 39.846 54.385 9.429
58 HG22 THR 8 2HG2 THR 8 38.183 54.136 10.074
59 HG23 THR 8 3HG2 THR 8 38.519 55.520 8.962
60 HA PRO 9 HA PRO 9 42.980 54.461 14.562
61 HB2 PRO 9 HB1 PRO 9 44.903 54.243 12.235
62 HB3 PRO 9 HB2 PRO 9 44.942 53.189 13.705
63 HG2 PRO 9 HG1 PRO 9 44.054 52.169 11.400
64 HG3 PRO 9 HG2 PRO 9 43.069 51.890 12.888
65 HD2 PRO 9 HD1 PRO 9 42.560 53.923 10.685
66 HD3 PRO 9 HD2 PRO 9 41.397 52.910 11.628
67 H GLY 10 HN GLY 10 42.642 56.699 12.149
68 HA2 GLY 10 HA1 GLY 10 44.093 58.746 13.630
69 HA3 GLY 10 HA2 GLY 10 44.633 58.315 11.952
70 H CYS 11 HN CYS 11 41.283 58.162 13.359
71 HA CYS 11 HA CYS 11 40.419 58.280 10.896
72 HB2 CYS 11 HB1 CYS 11 39.328 57.635 13.400
73 HB3 CYS 11 HB2 CYS 11 38.191 58.866 12.715
74 H VAL 12 HN VAL 12 39.065 61.992 11.638
75 HA VAL 12 HA VAL 12 41.367 61.264 12.982
76 HB VAL 12 HB VAL 12 41.197 63.294 14.121
77 HG11 VAL 12 1HG1 VAL 12 40.719 64.858 12.234
78 HG12 VAL 12 2HG1 VAL 12 41.561 63.357 11.682
79 HG13 VAL 12 3HG1 VAL 12 39.796 63.561 11.398
80 HG21 VAL 12 1HG2 VAL 12 38.748 63.176 14.996
81 HG22 VAL 12 2HG2 VAL 12 39.013 64.663 14.011
82 HG23 VAL 12 3HG2 VAL 12 38.192 63.228 13.278
83 H THR 13 HN THR 13 41.909 60.756 15.195
84 HA THR 13 HA THR 13 39.632 59.687 16.684
85 HB THR 13 HB THR 13 41.273 58.699 18.162
86 HG21 THR 13 1HG2 THR 13 41.835 57.937 15.175
87 HG22 THR 13 2HG2 THR 13 41.628 56.842 16.589
88 HG23 THR 13 3HG2 THR 13 40.206 57.717 15.912
89 H GLY 14 HN GLY 14 40.375 62.566 15.875
90 HA2 GLY 14 HA1 GLY 14 39.858 64.352 16.881
91 HA3 GLY 14 HA2 GLY 14 39.589 63.439 18.442
92 H VAL 15 HN VAL 15 42.544 62.529 17.680
93 HA VAL 15 HA VAL 15 43.862 64.418 19.202
94 HB VAL 15 HB VAL 15 44.093 61.929 19.083
95 HG11 VAL 15 1HG1 VAL 15 44.906 61.838 16.581
96 HG12 VAL 15 2HG1 VAL 15 46.463 62.330 17.346
97 HG13 VAL 15 3HG1 VAL 15 45.564 60.899 17.979
98 HG21 VAL 15 1HG2 VAL 15 46.537 63.613 19.438
99 HG22 VAL 15 2HG2 VAL 15 45.148 63.775 20.586
100 HG23 VAL 15 3HG2 VAL 15 46.008 62.193 20.420
101 H LEU 16 HN LEU 16 45.192 65.540 15.593
102 HA LEU 16 HA LEU 16 42.556 64.440 15.447
103 HB2 LEU 16 HB1 LEU 16 44.328 66.161 13.704
104 HB3 LEU 16 HB2 LEU 16 42.955 65.153 13.091
105 HG LEU 16 HG LEU 16 41.383 66.570 14.488
106 HD11 LEU 16 1HD1 LEU 16 43.799 68.354 15.121
107 HD12 LEU 16 2HD1 LEU 16 42.058 68.671 15.466
108 HD13 LEU 16 3HD1 LEU 16 42.899 67.290 16.265
109 HD21 LEU 16 1HD2 LEU 16 43.225 68.006 12.662
110 HD22 LEU 16 2HD2 LEU 16 41.825 67.005 12.135
111 HD23 LEU 16 3HD2 LEU 16 41.551 68.494 13.112
112 H GLN 17 HN GLN 17 45.824 64.058 14.348
113 HA GLN 17 HA GLN 17 45.210 61.460 13.030
114 HB2 GLN 17 HB1 GLN 17 45.712 63.329 11.722
115 HB3 GLN 17 HB2 GLN 17 47.206 63.601 12.699
116 HG2 GLN 17 HG1 GLN 17 48.081 61.334 11.694
117 HG3 GLN 17 HG2 GLN 17 46.568 61.181 10.725
118 HE21 GLN 17 1HE2 GLN 17 49.448 63.422 11.007
119 HE22 GLN 17 2HE2 GLN 17 49.206 63.949 9.376
120 H MDH 18 HN MDH 18 46.973 59.527 13.155
121 HB MDH 18 HB1 MDH 18 48.971 57.321 15.150
122 HG1 MDH 18 HG1 MDH 18 50.732 58.648 14.136
123 HG2 MDH 18 HG2 MDH 18 50.108 57.551 12.852
124 HG3 MDH 18 HG3 MDH 18 49.623 59.288 12.874
125 H CYS 19 HN CYS 19 45.726 57.907 15.483
126 HA CYS 19 HA CYS 19 45.832 58.933 18.221
127 HB2 CYS 19 HB1 CYS 19 43.875 57.138 16.772
128 HB3 CYS 19 HB2 CYS 19 43.697 57.769 18.456
129 H PHE 20 HN PHE 20 46.722 56.112 16.317
130 HA PHE 20 HA PHE 20 47.557 54.777 18.909
131 HB2 PHE 20 HB1 PHE 20 45.667 53.776 17.161
132 HB3 PHE 20 HB2 PHE 20 47.207 53.170 16.405
133 HD1 PHE 20 HD1 PHE 20 45.018 53.205 19.327
134 HD2 PHE 20 HD2 PHE 20 48.751 51.815 17.940
135 HE1 PHE 20 HE1 PHE 20 44.937 51.398 20.966
136 HE2 PHE 20 HE2 PHE 20 48.843 50.233 19.733
137 HZ PHE 20 HZ PHE 20 46.923 50.031 21.350
138 H ILE 21 HN ILE 21 49.424 54.406 19.272
139 HA ILE 21 HA ILE 21 51.255 54.253 16.974
140 HB ILE 21 HB ILE 21 51.662 55.100 19.888
141 HG12 ILE 21 1HG1 ILE 21 51.947 56.666 17.265
142 HG13 ILE 21 2HG1 ILE 21 50.554 56.808 18.399
143 HG21 ILE 21 1HG2 ILE 21 54.107 55.734 19.149
144 HG22 ILE 21 2HG2 ILE 21 53.650 54.025 19.523
145 HG23 ILE 21 3HG2 ILE 21 53.762 54.574 17.808
146 HD11 ILE 21 HD1 ILE 21 52.231 57.537 20.160
147 HD12 ILE 21 HD2 ILE 21 53.425 57.821 18.841
148 HD13 ILE 21 HD3 ILE 21 51.886 58.749 18.870
149 H GLN 22 HN GLN 22 52.118 51.060 18.089
150 HA GLN 22 HA GLN 22 52.811 52.943 16.023
151 HB2 GLN 22 HB1 GLN 22 54.259 51.014 16.786
152 HB3 GLN 22 HB2 GLN 22 53.081 49.903 15.990
153 HG2 GLN 22 HG1 GLN 22 54.900 50.186 14.496
154 HG3 GLN 22 HG2 GLN 22 53.527 51.163 13.847
155 HE21 GLN 22 1HE2 GLN 22 56.251 51.737 16.322
156 HE22 GLN 22 2HE2 GLN 22 57.086 52.845 15.294
157 H THR 23 HN THR 23 50.407 50.634 16.527
158 HA THR 23 HA THR 23 50.084 50.224 13.902
159 HB THR 23 HB THR 23 49.929 48.633 15.564
160 HG21 THR 23 1HG2 THR 23 46.964 49.276 15.531
161 HG22 THR 23 2HG2 THR 23 47.571 47.849 16.443
162 HG23 THR 23 3HG2 THR 23 48.111 49.507 16.901
163 H ALA 24 HN ALA 24 48.938 52.925 14.987
164 HA ALA 24 HA ALA 24 47.023 53.041 12.697
165 HB1 ALA 24 HB1 ALA 24 48.633 55.223 14.003
166 HB2 ALA 24 HB2 ALA 24 47.139 55.452 13.031
167 HB3 ALA 24 HB3 ALA 24 47.034 54.716 14.673
168 H THR 25 HN THR 25 50.581 52.759 12.791
169 HA THR 25 HA THR 25 49.716 51.854 10.350
170 HB THR 25 HB THR 25 52.588 52.593 10.591
171 HG21 THR 25 1HG2 THR 25 51.354 54.798 10.681
172 HG22 THR 25 2HG2 THR 25 51.946 54.620 8.985
173 HG23 THR 25 3HG2 THR 25 50.212 54.285 9.375
174 H CYS 26 HN CYS 26 49.176 49.952 11.006
175 HA CYS 26 HA CYS 26 51.340 48.192 11.097
176 HB2 CYS 26 HB1 CYS 26 50.376 46.628 12.755
177 HB3 CYS 26 HB2 CYS 26 50.944 48.189 13.482
178 H ASN 27 HN ASN 27 50.596 46.493 9.968
179 HA ASN 27 HA ASN 27 50.085 46.124 7.963
180 HB2 ASN 27 HB1 ASN 27 47.838 48.217 7.656
181 HB3 ASN 27 HB2 ASN 27 48.431 46.951 6.504
182 HD21 ASN 27 1HD2 ASN 27 46.116 47.586 8.889
183 HD22 ASN 27 2HD2 ASN 27 45.629 45.957 9.200
184 H CYS 28 HN CYS 28 50.818 49.451 8.945
185 HA CYS 28 HA CYS 28 52.765 49.537 6.907
186 HB2 CYS 28 HB1 CYS 28 53.267 50.815 9.613
187 HB3 CYS 28 HB2 CYS 28 53.735 51.381 7.957
188 H HIS 29 HN HIS 29 52.479 47.547 9.595
189 HA HIS 29 HA HIS 29 55.207 46.714 9.885
190 HB2 HIS 29 HB1 HIS 29 55.533 49.035 10.568
191 HB3 HIS 29 HB2 HIS 29 54.223 48.808 11.796
192 HD2 HIS 29 HD2 HIS 29 55.802 48.559 14.237
193 HE1 HIS 29 HE1 HIS 29 58.801 46.098 12.503
194 HE2 HIS 29 HE2 HIS 29 57.956 47.193 14.564
195 H ILE 30 HN ILE 30 55.216 45.756 12.429
196 HA ILE 30 HA ILE 30 52.946 44.024 12.651
197 HB ILE 30 HB ILE 30 55.256 44.535 14.481
198 HG12 ILE 30 1HG1 ILE 30 56.235 44.198 12.421
199 HG13 ILE 30 2HG1 ILE 30 56.376 42.818 13.591
200 HG21 ILE 30 1HG2 ILE 30 54.768 42.058 14.998
201 HG22 ILE 30 2HG2 ILE 30 53.570 43.194 15.724
202 HG23 ILE 30 3HG2 ILE 30 53.130 42.243 14.255
203 HD11 ILE 30 HD1 ILE 30 55.849 41.920 11.200
204 HD12 ILE 30 HD2 ILE 30 54.579 41.554 12.427
205 HD13 ILE 30 HD3 ILE 30 54.363 42.939 11.302
206 H DHA 31 HN DHA 31 51.787 43.741 14.336
207 HB1 DHA 31 HB1 DHA 31 49.245 44.002 13.429
208 HB2 DHA 31 HB2 DHA 31 48.164 44.825 14.759
209 H LYS 32 HN LYS 32 51.567 47.337 15.963
210 HA LYS 32 HA LYS 32 50.533 46.880 18.645
211 HB2 LYS 32 HB1 LYS 32 52.926 46.817 19.398
212 HB3 LYS 32 HB2 LYS 32 52.342 45.285 18.632
213 HG2 LYS 32 HG1 LYS 32 53.643 45.736 16.636
214 HG3 LYS 32 HG2 LYS 32 53.854 47.488 17.064
215 HD2 LYS 32 HD1 LYS 32 54.936 44.957 18.191
216 HD3 LYS 32 HD2 LYS 32 55.918 46.131 17.220
217 HE2 LYS 32 HE1 LYS 32 54.825 46.417 20.090
218 HE3 LYS 32 HE2 LYS 32 56.556 46.664 19.640
219 HZ1 LYS 32 HZ1 LYS 32 55.907 48.580 18.407
220 HZ2 LYS 32 HZ2 LYS 32 54.288 48.528 18.907
221 HZ3 LYS 32 HZ3 LYS 32 55.520 48.660 20.068
Start of MODEL 8
1 H1 TRP 1 H1 TRP 1 35.245 60.274 15.719
2 H2 TRP 1 H2 TRP 1 36.714 59.625 15.157
3 H3 TRP 1 H3 TRP 1 35.256 59.279 14.348
4 HA TRP 1 HA TRP 1 35.338 58.849 17.102
5 HB2 TRP 1 HB1 TRP 1 33.872 57.191 14.980
6 HB3 TRP 1 HB2 TRP 1 33.821 56.973 16.778
7 HD1 TRP 1 HD1 TRP 1 32.161 58.972 14.081
8 HE1 TRP 1 HE1 TRP 1 30.227 60.287 15.138
9 HE3 TRP 1 HE3 TRP 1 33.484 58.156 18.741
10 HZ2 TRP 1 HZ2 TRP 1 29.495 60.945 17.878
11 HZ3 TRP 1 HZ3 TRP 1 32.100 59.164 20.721
12 HH2 TRP 1 HH2 TRP 1 30.291 60.570 20.131
13 H LYS 2 HN LYS 2 36.251 56.745 18.118
14 HA LYS 2 HA LYS 2 38.830 56.635 17.099
15 HB2 LYS 2 HB1 LYS 2 37.503 55.542 19.633
16 HB3 LYS 2 HB2 LYS 2 39.265 55.604 19.225
17 HG2 LYS 2 HG1 LYS 2 39.198 58.077 19.150
18 HG3 LYS 2 HG2 LYS 2 37.478 57.987 19.713
19 HD2 LYS 2 HD1 LYS 2 38.165 56.738 21.772
20 HD3 LYS 2 HD2 LYS 2 39.832 56.587 21.085
21 HE2 LYS 2 HE1 LYS 2 40.226 59.024 21.386
22 HE3 LYS 2 HE2 LYS 2 38.560 59.210 22.060
23 HZ1 LYS 2 HZ1 LYS 2 39.248 57.414 23.746
24 HZ2 LYS 2 HZ2 LYS 2 40.845 57.633 23.201
25 HZ3 LYS 2 HZ3 LYS 2 39.968 58.956 23.811
26 H SER 3 HN SER 3 36.341 54.254 17.300
27 HA SER 3 HA SER 3 36.501 52.046 17.580
28 HB2 SER 3 HB1 SER 3 35.552 52.185 15.729
29 HB3 SER 3 HB2 SER 3 36.760 50.836 15.568
30 H GLN 4 HN GLN 4 38.246 52.216 19.397
31 HA GLN 4 HA GLN 4 38.912 50.412 20.446
32 HB2 GLN 4 HB1 GLN 4 37.884 49.176 17.855
33 HB3 GLN 4 HB2 GLN 4 38.404 48.146 19.248
34 HG2 GLN 4 HG1 GLN 4 36.154 50.335 19.475
35 HG3 GLN 4 HG2 GLN 4 36.083 48.649 18.824
36 HE21 GLN 4 1HE2 GLN 4 36.950 46.909 20.328
37 HE22 GLN 4 2HE2 GLN 4 36.559 47.044 22.018
38 H DHA 5 HN DHA 5 40.883 51.765 18.634
39 HB1 DHA 5 HB1 DHA 5 43.011 51.796 20.525
40 HB2 DHA 5 HB2 DHA 5 44.498 51.711 19.356
41 H PHE 6 HN PHE 6 43.679 51.556 15.438
42 HA PHE 6 HA PHE 6 41.088 52.284 16.577
43 HB2 PHE 6 HB1 PHE 6 43.550 54.036 16.050
44 HB3 PHE 6 HB2 PHE 6 41.874 54.691 15.831
45 HD1 PHE 6 HD1 PHE 6 44.520 54.947 17.729
46 HD2 PHE 6 HD2 PHE 6 40.505 53.922 18.163
47 HE1 PHE 6 HE1 PHE 6 44.676 55.561 20.122
48 HE2 PHE 6 HE2 PHE 6 40.613 54.476 20.571
49 HZ PHE 6 HZ PHE 6 42.690 54.919 21.608
50 H CYS 7 HN CYS 7 40.027 53.542 14.650
51 HA CYS 7 HA CYS 7 40.367 51.293 12.787
52 HB2 CYS 7 HB1 CYS 7 37.841 51.154 12.708
53 HB3 CYS 7 HB2 CYS 7 38.384 50.864 14.410
54 H THR 8 HN THR 8 39.928 54.528 13.300
55 HA THR 8 HA THR 8 41.380 54.311 10.886
56 HB THR 8 HB THR 8 41.002 56.874 10.426
57 HG21 THR 8 1HG2 THR 8 39.657 56.070 8.562
58 HG22 THR 8 2HG2 THR 8 40.843 54.754 8.934
59 HG23 THR 8 3HG2 THR 8 39.120 54.594 9.447
60 HA PRO 9 HA PRO 9 43.759 55.033 14.235
61 HB2 PRO 9 HB1 PRO 9 45.653 55.653 11.855
62 HB3 PRO 9 HB2 PRO 9 46.380 54.913 13.343
63 HG2 PRO 9 HG1 PRO 9 45.780 53.243 11.408
64 HG3 PRO 9 HG2 PRO 9 44.923 52.848 12.949
65 HD2 PRO 9 HD1 PRO 9 43.593 54.230 10.528
66 HD3 PRO 9 HD2 PRO 9 42.989 53.006 11.710
67 H GLY 10 HN GLY 10 43.454 57.242 11.721
68 HA2 GLY 10 HA1 GLY 10 43.766 59.490 13.617
69 HA3 GLY 10 HA2 GLY 10 44.421 59.602 11.920
70 H CYS 11 HN CYS 11 41.340 58.063 13.102
71 HA CYS 11 HA CYS 11 40.168 58.651 10.814
72 HB2 CYS 11 HB1 CYS 11 39.552 57.071 13.176
73 HB3 CYS 11 HB2 CYS 11 38.169 58.202 12.897
74 H VAL 12 HN VAL 12 38.199 61.617 12.358
75 HA VAL 12 HA VAL 12 40.773 61.309 13.229
76 HB VAL 12 HB VAL 12 40.330 63.158 14.851
77 HG11 VAL 12 1HG1 VAL 12 40.487 63.588 12.196
78 HG12 VAL 12 2HG1 VAL 12 38.703 63.782 12.296
79 HG13 VAL 12 3HG1 VAL 12 39.782 64.868 13.248
80 HG21 VAL 12 1HG2 VAL 12 37.803 64.034 14.893
81 HG22 VAL 12 2HG2 VAL 12 37.488 62.580 13.877
82 HG23 VAL 12 3HG2 VAL 12 38.039 62.382 15.582
83 H THR 13 HN THR 13 41.568 60.579 15.249
84 HA THR 13 HA THR 13 39.722 59.302 17.136
85 HB THR 13 HB THR 13 41.721 58.612 18.332
86 HG21 THR 13 1HG2 THR 13 42.080 56.666 16.802
87 HG22 THR 13 2HG2 THR 13 40.471 57.276 16.293
88 HG23 THR 13 3HG2 THR 13 41.945 57.734 15.366
89 H GLY 14 HN GLY 14 40.217 62.094 16.368
90 HA2 GLY 14 HA1 GLY 14 39.828 64.160 17.364
91 HA3 GLY 14 HA2 GLY 14 39.762 63.214 18.922
92 H VAL 15 HN VAL 15 42.414 62.244 17.753
93 HA VAL 15 HA VAL 15 44.198 63.850 19.174
94 HB VAL 15 HB VAL 15 44.488 61.602 17.298
95 HG11 VAL 15 1HG1 VAL 15 46.662 62.328 17.034
96 HG12 VAL 15 2HG1 VAL 15 46.784 62.990 18.704
97 HG13 VAL 15 3HG1 VAL 15 46.772 61.209 18.441
98 HG21 VAL 15 1HG2 VAL 15 43.267 61.366 19.520
99 HG22 VAL 15 2HG2 VAL 15 44.864 60.569 19.726
100 HG23 VAL 15 3HG2 VAL 15 44.621 62.262 20.291
101 H LEU 16 HN LEU 16 44.720 65.601 15.644
102 HA LEU 16 HA LEU 16 42.379 64.106 15.744
103 HB2 LEU 16 HB1 LEU 16 44.064 65.495 13.614
104 HB3 LEU 16 HB2 LEU 16 42.618 64.505 13.157
105 HG LEU 16 HG LEU 16 41.329 66.029 14.700
106 HD11 LEU 16 1HD1 LEU 16 42.334 68.409 14.616
107 HD12 LEU 16 2HD1 LEU 16 42.721 67.422 16.078
108 HD13 LEU 16 3HD1 LEU 16 43.953 67.621 14.777
109 HD21 LEU 16 1HD2 LEU 16 42.861 67.447 12.396
110 HD22 LEU 16 2HD2 LEU 16 41.548 66.241 12.117
111 HD23 LEU 16 3HD2 LEU 16 41.161 67.852 12.825
112 H GLN 17 HN GLN 17 45.603 63.804 14.658
113 HA GLN 17 HA GLN 17 45.250 61.121 13.447
114 HB2 GLN 17 HB1 GLN 17 46.885 61.879 11.730
115 HB3 GLN 17 HB2 GLN 17 45.357 62.847 11.701
116 HG2 GLN 17 HG1 GLN 17 46.444 64.763 12.979
117 HG3 GLN 17 HG2 GLN 17 47.928 63.751 13.156
118 HE21 GLN 17 1HE2 GLN 17 49.265 63.612 11.314
119 HE22 GLN 17 2HE2 GLN 17 48.724 63.969 9.713
120 H MDH 18 HN MDH 18 46.642 59.620 13.579
121 HB MDH 18 HB1 MDH 18 49.349 57.647 14.978
122 HG1 MDH 18 HG1 MDH 18 49.615 59.981 12.920
123 HG2 MDH 18 HG2 MDH 18 50.858 59.273 14.016
124 HG3 MDH 18 HG3 MDH 18 50.198 58.292 12.653
125 H CYS 19 HN CYS 19 45.826 58.623 15.799
126 HA CYS 19 HA CYS 19 45.724 59.251 18.463
127 HB2 CYS 19 HB1 CYS 19 44.254 57.189 16.895
128 HB3 CYS 19 HB2 CYS 19 43.799 57.668 18.584
129 H PHE 20 HN PHE 20 47.056 56.371 16.986
130 HA PHE 20 HA PHE 20 48.526 56.037 19.448
131 HB2 PHE 20 HB1 PHE 20 46.363 54.240 18.994
132 HB3 PHE 20 HB2 PHE 20 47.685 53.478 18.013
133 HD1 PHE 20 HD1 PHE 20 46.941 54.965 21.478
134 HD2 PHE 20 HD2 PHE 20 49.354 52.203 19.148
135 HE1 PHE 20 HE1 PHE 20 47.834 54.337 23.304
136 HE2 PHE 20 HE2 PHE 20 50.544 51.739 21.246
137 HZ PHE 20 HZ PHE 20 49.786 52.585 23.363
138 H ILE 21 HN ILE 21 50.719 54.960 18.987
139 HA ILE 21 HA ILE 21 51.313 54.490 16.243
140 HB ILE 21 HB ILE 21 52.916 56.445 18.089
141 HG12 ILE 21 1HG1 ILE 21 51.152 56.722 15.765
142 HG13 ILE 21 2HG1 ILE 21 50.777 57.513 17.348
143 HG21 ILE 21 1HG2 ILE 21 53.142 55.675 15.075
144 HG22 ILE 21 2HG2 ILE 21 54.277 56.777 15.939
145 HG23 ILE 21 3HG2 ILE 21 54.206 55.033 16.371
146 HD11 ILE 21 HD1 ILE 21 53.128 58.602 15.643
147 HD12 ILE 21 HD2 ILE 21 51.519 59.296 16.038
148 HD13 ILE 21 HD3 ILE 21 52.646 58.836 17.363
149 H GLN 22 HN GLN 22 52.501 51.815 17.999
150 HA GLN 22 HA GLN 22 53.304 53.268 15.617
151 HB2 GLN 22 HB1 GLN 22 54.579 51.397 16.960
152 HB3 GLN 22 HB2 GLN 22 53.643 50.395 15.780
153 HG2 GLN 22 HG1 GLN 22 54.700 51.670 13.906
154 HG3 GLN 22 HG2 GLN 22 55.634 52.617 15.136
155 HE21 GLN 22 1HE2 GLN 22 57.302 51.743 13.501
156 HE22 GLN 22 2HE2 GLN 22 58.097 50.270 13.930
157 H THR 23 HN THR 23 50.252 51.519 16.299
158 HA THR 23 HA THR 23 50.111 50.619 13.758
159 HB THR 23 HB THR 23 48.961 49.702 15.637
160 HG21 THR 23 1HG2 THR 23 48.020 51.655 16.697
161 HG22 THR 23 2HG2 THR 23 47.165 52.166 15.194
162 HG23 THR 23 3HG2 THR 23 46.609 50.711 16.090
163 H ALA 24 HN ALA 24 50.422 53.563 14.390
164 HA ALA 24 HA ALA 24 49.082 54.778 12.087
165 HB1 ALA 24 HB1 ALA 24 51.888 55.237 13.470
166 HB2 ALA 24 HB2 ALA 24 51.355 56.273 12.096
167 HB3 ALA 24 HB3 ALA 24 50.426 56.277 13.636
168 H THR 25 HN THR 25 51.680 52.590 12.351
169 HA THR 25 HA THR 25 50.691 51.937 9.716
170 HB THR 25 HB THR 25 53.556 51.195 10.332
171 HG21 THR 25 1HG2 THR 25 53.602 53.622 10.364
172 HG22 THR 25 2HG2 THR 25 54.222 52.969 8.797
173 HG23 THR 25 3HG2 THR 25 52.577 53.702 8.882
174 H CYS 26 HN CYS 26 49.142 50.990 10.933
175 HA CYS 26 HA CYS 26 50.075 48.294 11.273
176 HB2 CYS 26 HB1 CYS 26 48.292 47.589 12.726
177 HB3 CYS 26 HB2 CYS 26 49.659 48.532 13.438
178 H ASN 27 HN ASN 27 48.474 46.950 10.209
179 HA ASN 27 HA ASN 27 47.885 46.585 8.287
180 HB2 ASN 27 HB1 ASN 27 46.292 48.475 8.254
181 HB3 ASN 27 HB2 ASN 27 47.530 49.566 7.517
182 HD21 ASN 27 1HD2 ASN 27 47.683 49.323 5.170
183 HD22 ASN 27 2HD2 ASN 27 47.002 48.024 4.247
184 H CYS 28 HN CYS 28 50.374 49.130 9.008
185 HA CYS 28 HA CYS 28 51.995 47.974 7.092
186 HB2 CYS 28 HB1 CYS 28 53.156 49.325 9.577
187 HB3 CYS 28 HB2 CYS 28 53.891 49.049 7.950
188 H HIS 29 HN HIS 29 51.574 47.759 10.778
189 HA HIS 29 HA HIS 29 52.650 45.142 10.568
190 HB2 HIS 29 HB1 HIS 29 54.648 46.556 10.790
191 HB3 HIS 29 HB2 HIS 29 53.744 47.632 11.930
192 HD2 HIS 29 HD2 HIS 29 54.988 47.232 14.260
193 HE1 HIS 29 HE1 HIS 29 56.171 43.165 13.664
194 HE2 HIS 29 HE2 HIS 29 56.056 45.138 15.343
195 H ILE 30 HN ILE 30 53.060 44.742 13.155
196 HA ILE 30 HA ILE 30 50.603 43.868 14.103
197 HB ILE 30 HB ILE 30 53.213 44.544 15.451
198 HG12 ILE 30 1HG1 ILE 30 53.385 42.887 13.586
199 HG13 ILE 30 2HG1 ILE 30 53.745 42.364 15.278
200 HG21 ILE 30 1HG2 ILE 30 50.852 42.968 16.612
201 HG22 ILE 30 2HG2 ILE 30 52.536 42.822 17.220
202 HG23 ILE 30 3HG2 ILE 30 51.717 44.435 17.211
203 HD11 ILE 30 HD1 ILE 30 52.526 40.542 14.070
204 HD12 ILE 30 HD2 ILE 30 51.542 41.084 15.477
205 HD13 ILE 30 HD3 ILE 30 51.160 41.684 13.819
206 H DHA 31 HN DHA 31 49.030 44.654 15.244
207 HB1 DHA 31 HB1 DHA 31 46.880 45.754 14.582
208 HB2 DHA 31 HB2 DHA 31 46.389 47.080 15.843
209 H LYS 32 HN LYS 32 50.625 48.151 16.451
210 HA LYS 32 HA LYS 32 49.844 48.392 19.249
211 HB2 LYS 32 HB1 LYS 32 51.946 47.784 19.981
212 HB3 LYS 32 HB2 LYS 32 50.964 46.492 19.189
213 HG2 LYS 32 HG1 LYS 32 53.453 46.302 18.850
214 HG3 LYS 32 HG2 LYS 32 52.525 46.419 17.298
215 HD2 LYS 32 HD1 LYS 32 54.310 47.599 16.776
216 HD3 LYS 32 HD2 LYS 32 53.193 48.930 17.300
217 HE2 LYS 32 HE1 LYS 32 55.575 47.649 18.793
218 HE3 LYS 32 HE2 LYS 32 55.477 49.279 18.032
219 HZ1 LYS 32 HZ1 LYS 32 55.049 49.660 20.291
220 HZ2 LYS 32 HZ2 LYS 32 53.521 49.573 19.566
221 HZ3 LYS 32 HZ3 LYS 32 54.089 48.285 20.508
Start of MODEL 9
1 H1 TRP 1 H1 TRP 1 35.061 59.104 13.828
2 H2 TRP 1 H2 TRP 1 35.196 60.467 14.827
3 H3 TRP 1 H3 TRP 1 36.569 59.539 14.462
4 HA TRP 1 HA TRP 1 35.173 59.302 16.658
5 HB2 TRP 1 HB1 TRP 1 33.939 57.178 14.735
6 HB3 TRP 1 HB2 TRP 1 34.025 57.114 16.533
7 HD1 TRP 1 HD1 TRP 1 32.135 58.910 13.746
8 HE1 TRP 1 HE1 TRP 1 30.514 60.677 14.825
9 HE3 TRP 1 HE3 TRP 1 33.631 58.563 18.555
10 HZ2 TRP 1 HZ2 TRP 1 29.970 61.557 17.403
11 HZ3 TRP 1 HZ3 TRP 1 33.039 60.434 20.096
12 HH2 TRP 1 HH2 TRP 1 30.936 61.703 19.578
13 H LYS 2 HN LYS 2 36.445 57.853 18.049
14 HA LYS 2 HA LYS 2 38.848 56.970 16.902
15 HB2 LYS 2 HB1 LYS 2 37.372 56.061 19.466
16 HB3 LYS 2 HB2 LYS 2 39.029 55.529 18.968
17 HG2 LYS 2 HG1 LYS 2 39.607 58.077 19.004
18 HG3 LYS 2 HG2 LYS 2 37.915 58.341 19.600
19 HD2 LYS 2 HD1 LYS 2 38.449 56.859 21.636
20 HD3 LYS 2 HD2 LYS 2 40.161 56.926 21.062
21 HE2 LYS 2 HE1 LYS 2 39.963 59.489 21.464
22 HE3 LYS 2 HE2 LYS 2 38.263 59.080 21.959
23 HZ1 LYS 2 HZ1 LYS 2 38.947 57.953 23.819
24 HZ2 LYS 2 HZ2 LYS 2 40.509 57.565 23.272
25 HZ3 LYS 2 HZ3 LYS 2 40.152 59.160 23.748
26 H SER 3 HN SER 3 36.096 54.890 17.872
27 HA SER 3 HA SER 3 35.638 53.016 17.681
28 HB2 SER 3 HB1 SER 3 35.044 53.377 15.540
29 HB3 SER 3 HB2 SER 3 35.580 51.659 15.719
30 H GLN 4 HN GLN 4 36.799 52.975 19.661
31 HA GLN 4 HA GLN 4 36.475 51.347 20.942
32 HB2 GLN 4 HB1 GLN 4 36.539 49.580 18.552
33 HB3 GLN 4 HB2 GLN 4 36.515 48.835 20.197
34 HG2 GLN 4 HG1 GLN 4 34.437 50.862 18.962
35 HG3 GLN 4 HG2 GLN 4 34.277 49.062 19.066
36 HE21 GLN 4 1HE2 GLN 4 32.587 51.178 20.152
37 HE22 GLN 4 2HE2 GLN 4 32.433 50.845 21.844
38 H DHA 5 HN DHA 5 38.389 52.389 21.272
39 HB1 DHA 5 HB1 DHA 5 41.217 51.127 22.920
40 HB2 DHA 5 HB2 DHA 5 42.332 52.083 21.724
41 H PHE 6 HN PHE 6 41.198 51.287 18.494
42 HA PHE 6 HA PHE 6 39.663 53.447 17.651
43 HB2 PHE 6 HB1 PHE 6 41.875 54.482 16.308
44 HB3 PHE 6 HB2 PHE 6 41.326 54.944 17.968
45 HD1 PHE 6 HD1 PHE 6 43.513 52.367 16.364
46 HD2 PHE 6 HD2 PHE 6 42.706 54.690 19.887
47 HE1 PHE 6 HE1 PHE 6 45.338 51.223 17.558
48 HE2 PHE 6 HE2 PHE 6 44.582 53.635 20.969
49 HZ PHE 6 HZ PHE 6 45.533 51.634 19.900
50 H CYS 7 HN CYS 7 39.517 53.351 15.241
51 HA CYS 7 HA CYS 7 39.875 50.479 14.566
52 HB2 CYS 7 HB1 CYS 7 37.636 50.904 13.320
53 HB3 CYS 7 HB2 CYS 7 37.605 50.644 15.108
54 H THR 8 HN THR 8 39.944 53.834 13.645
55 HA THR 8 HA THR 8 41.762 52.834 11.699
56 HB THR 8 HB THR 8 41.262 55.568 10.771
57 HG21 THR 8 1HG2 THR 8 41.701 53.552 9.353
58 HG22 THR 8 2HG2 THR 8 40.087 52.871 9.794
59 HG23 THR 8 3HG2 THR 8 40.206 54.394 8.838
60 HA PRO 9 HA PRO 9 43.551 54.200 14.965
61 HB2 PRO 9 HB1 PRO 9 46.320 54.747 13.689
62 HB3 PRO 9 HB2 PRO 9 45.885 53.656 15.070
63 HG2 PRO 9 HG1 PRO 9 46.159 52.906 12.192
64 HG3 PRO 9 HG2 PRO 9 45.186 52.021 13.437
65 HD2 PRO 9 HD1 PRO 9 44.561 54.108 11.236
66 HD3 PRO 9 HD2 PRO 9 43.747 52.576 11.737
67 H GLY 10 HN GLY 10 43.577 56.503 12.439
68 HA2 GLY 10 HA1 GLY 10 43.562 58.761 14.222
69 HA3 GLY 10 HA2 GLY 10 44.319 58.745 12.554
70 H CYS 11 HN CYS 11 41.327 57.307 13.697
71 HA CYS 11 HA CYS 11 40.388 57.466 11.150
72 HB2 CYS 11 HB1 CYS 11 39.726 56.133 13.397
73 HB3 CYS 11 HB2 CYS 11 38.231 56.826 12.644
74 H VAL 12 HN VAL 12 38.286 60.650 12.417
75 HA VAL 12 HA VAL 12 41.032 60.561 13.235
76 HB VAL 12 HB VAL 12 40.892 62.654 13.909
77 HG11 VAL 12 1HG1 VAL 12 40.296 63.688 12.021
78 HG12 VAL 12 2HG1 VAL 12 40.950 62.077 11.540
79 HG13 VAL 12 3HG1 VAL 12 39.189 62.421 11.393
80 HG21 VAL 12 1HG2 VAL 12 37.854 62.314 13.681
81 HG22 VAL 12 2HG2 VAL 12 38.689 62.556 15.269
82 HG23 VAL 12 3HG2 VAL 12 38.670 63.887 14.051
83 H THR 13 HN THR 13 41.867 60.604 15.308
84 HA THR 13 HA THR 13 39.999 59.658 17.430
85 HB THR 13 HB THR 13 41.976 58.848 18.600
86 HG21 THR 13 1HG2 THR 13 40.831 57.224 17.108
87 HG22 THR 13 2HG2 THR 13 41.661 57.926 15.675
88 HG23 THR 13 3HG2 THR 13 42.581 56.906 16.845
89 H GLY 14 HN GLY 14 40.644 62.245 16.189
90 HA2 GLY 14 HA1 GLY 14 39.822 64.152 17.032
91 HA3 GLY 14 HA2 GLY 14 40.051 63.513 18.721
92 H VAL 15 HN VAL 15 42.749 62.628 17.837
93 HA VAL 15 HA VAL 15 44.436 64.434 18.627
94 HB VAL 15 HB VAL 15 44.596 62.055 16.896
95 HG11 VAL 15 1HG1 VAL 15 46.946 61.935 16.933
96 HG12 VAL 15 2HG1 VAL 15 46.346 63.258 15.869
97 HG13 VAL 15 3HG1 VAL 15 47.164 63.655 17.425
98 HG21 VAL 15 1HG2 VAL 15 46.076 61.538 19.062
99 HG22 VAL 15 2HG2 VAL 15 45.407 63.045 19.783
100 HG23 VAL 15 3HG2 VAL 15 44.297 61.710 19.278
101 H LEU 16 HN LEU 16 44.807 65.431 14.781
102 HA LEU 16 HA LEU 16 42.597 63.549 15.155
103 HB2 LEU 16 HB1 LEU 16 43.764 64.919 12.670
104 HB3 LEU 16 HB2 LEU 16 42.214 64.009 12.812
105 HG LEU 16 HG LEU 16 43.081 66.501 14.440
106 HD11 LEU 16 1HD1 LEU 16 42.360 66.343 11.487
107 HD12 LEU 16 2HD1 LEU 16 41.788 67.749 12.449
108 HD13 LEU 16 3HD1 LEU 16 43.558 67.428 12.291
109 HD21 LEU 16 1HD2 LEU 16 40.435 65.431 13.120
110 HD22 LEU 16 2HD2 LEU 16 40.808 65.215 14.869
111 HD23 LEU 16 3HD2 LEU 16 40.448 66.856 14.218
112 H GLN 17 HN GLN 17 45.553 63.607 13.390
113 HA GLN 17 HA GLN 17 45.158 60.933 12.279
114 HB2 GLN 17 HB1 GLN 17 47.343 63.110 11.955
115 HB3 GLN 17 HB2 GLN 17 47.174 61.628 10.931
116 HG2 GLN 17 HG1 GLN 17 44.858 62.619 10.381
117 HG3 GLN 17 HG2 GLN 17 45.285 64.158 11.227
118 HE21 GLN 17 1HE2 GLN 17 44.708 64.559 8.735
119 HE22 GLN 17 2HE2 GLN 17 46.191 65.162 8.082
120 H MDH 18 HN MDH 18 45.887 59.065 13.307
121 HB MDH 18 HB1 MDH 18 48.397 56.908 14.896
122 HG1 MDH 18 HG1 MDH 18 47.960 56.314 12.407
123 HG2 MDH 18 HG2 MDH 18 47.474 58.002 12.027
124 HG3 MDH 18 HG3 MDH 18 49.193 57.626 12.388
125 H CYS 19 HN CYS 19 45.829 58.062 15.927
126 HA CYS 19 HA CYS 19 46.505 59.561 18.308
127 HB2 CYS 19 HB1 CYS 19 44.333 57.471 17.937
128 HB3 CYS 19 HB2 CYS 19 44.517 58.726 19.219
129 H PHE 20 HN PHE 20 47.614 56.878 16.963
130 HA PHE 20 HA PHE 20 48.591 55.857 19.605
131 HB2 PHE 20 HB1 PHE 20 46.475 54.643 18.923
132 HB3 PHE 20 HB2 PHE 20 47.632 53.706 17.897
133 HD1 PHE 20 HD1 PHE 20 47.136 54.924 21.336
134 HD2 PHE 20 HD2 PHE 20 49.099 52.208 18.763
135 HE1 PHE 20 HE1 PHE 20 48.213 53.927 23.261
136 HE2 PHE 20 HE2 PHE 20 50.269 51.203 20.632
137 HZ PHE 20 HZ PHE 20 49.889 52.019 22.851
138 H ILE 21 HN ILE 21 50.594 54.733 19.632
139 HA ILE 21 HA ILE 21 52.015 54.555 17.092
140 HB ILE 21 HB ILE 21 53.086 55.837 19.558
141 HG12 ILE 21 1HG1 ILE 21 52.931 56.851 16.724
142 HG13 ILE 21 2HG1 ILE 21 51.612 57.233 17.904
143 HG21 ILE 21 1HG2 ILE 21 55.168 56.064 18.174
144 HG22 ILE 21 2HG2 ILE 21 54.834 54.345 18.585
145 HG23 ILE 21 3HG2 ILE 21 54.422 54.979 16.942
146 HD11 ILE 21 HD1 ILE 21 53.399 58.122 19.514
147 HD12 ILE 21 HD2 ILE 21 54.584 58.061 18.160
148 HD13 ILE 21 HD3 ILE 21 53.183 59.191 18.076
149 H GLN 22 HN GLN 22 52.596 51.301 18.586
150 HA GLN 22 HA GLN 22 53.714 52.978 16.632
151 HB2 GLN 22 HB1 GLN 22 54.555 50.637 17.756
152 HB3 GLN 22 HB2 GLN 22 53.394 49.899 16.578
153 HG2 GLN 22 HG1 GLN 22 55.670 49.851 15.633
154 HG3 GLN 22 HG2 GLN 22 54.715 51.096 14.726
155 HE21 GLN 22 1HE2 GLN 22 56.572 51.050 17.776
156 HE22 GLN 22 2HE2 GLN 22 57.350 52.570 17.566
157 H THR 23 HN THR 23 50.625 51.709 16.751
158 HA THR 23 HA THR 23 50.746 51.065 14.075
159 HB THR 23 HB THR 23 49.381 49.868 15.476
160 HG21 THR 23 1HG2 THR 23 48.520 51.865 16.819
161 HG22 THR 23 2HG2 THR 23 47.582 52.398 15.367
162 HG23 THR 23 3HG2 THR 23 47.109 50.889 16.257
163 H ALA 24 HN ALA 24 50.792 54.107 15.111
164 HA ALA 24 HA ALA 24 49.896 55.204 12.670
165 HB1 ALA 24 HB1 ALA 24 52.379 56.033 14.427
166 HB2 ALA 24 HB2 ALA 24 51.614 57.100 13.191
167 HB3 ALA 24 HB3 ALA 24 50.699 56.630 14.673
168 H THR 25 HN THR 25 52.642 53.147 13.104
169 HA THR 25 HA THR 25 51.487 52.773 10.612
170 HB THR 25 HB THR 25 54.293 51.861 10.321
171 HG21 THR 25 1HG2 THR 25 54.682 54.184 10.822
172 HG22 THR 25 2HG2 THR 25 55.152 53.721 9.147
173 HG23 THR 25 3HG2 THR 25 53.674 54.717 9.419
174 H CYS 26 HN CYS 26 50.124 51.610 11.482
175 HA CYS 26 HA CYS 26 50.978 48.874 11.233
176 HB2 CYS 26 HB1 CYS 26 49.114 48.035 12.652
177 HB3 CYS 26 HB2 CYS 26 50.366 48.967 13.557
178 H ASN 27 HN ASN 27 49.486 47.810 10.107
179 HA ASN 27 HA ASN 27 48.509 47.654 8.145
180 HB2 ASN 27 HB1 ASN 27 46.639 49.450 8.933
181 HB3 ASN 27 HB2 ASN 27 47.455 50.285 7.557
182 HD21 ASN 27 1HD2 ASN 27 47.059 49.667 5.330
183 HD22 ASN 27 2HD2 ASN 27 45.642 48.674 5.320
184 H CYS 28 HN CYS 28 50.750 50.390 8.830
185 HA CYS 28 HA CYS 28 52.113 49.633 6.584
186 HB2 CYS 28 HB1 CYS 28 53.105 50.101 9.429
187 HB3 CYS 28 HB2 CYS 28 54.181 50.261 7.983
188 H HIS 29 HN HIS 29 52.241 48.574 10.024
189 HA HIS 29 HA HIS 29 53.350 46.010 9.499
190 HB2 HIS 29 HB1 HIS 29 54.960 47.757 10.111
191 HB3 HIS 29 HB2 HIS 29 53.892 48.180 11.510
192 HD2 HIS 29 HD2 HIS 29 54.930 47.168 13.898
193 HE1 HIS 29 HE1 HIS 29 56.550 43.654 12.159
194 HE2 HIS 29 HE2 HIS 29 56.295 45.113 14.302
195 H ILE 30 HN ILE 30 53.212 45.499 12.474
196 HA ILE 30 HA ILE 30 50.602 44.446 12.574
197 HB ILE 30 HB ILE 30 52.795 44.420 14.643
198 HG12 ILE 30 1HG1 ILE 30 53.710 43.519 12.772
199 HG13 ILE 30 2HG1 ILE 30 53.167 42.062 13.697
200 HG21 ILE 30 1HG2 ILE 30 50.114 42.969 13.949
201 HG22 ILE 30 2HG2 ILE 30 51.388 42.253 15.006
202 HG23 ILE 30 3HG2 ILE 30 50.467 43.711 15.558
203 HD11 ILE 30 HD1 ILE 30 52.676 41.454 11.587
204 HD12 ILE 30 HD2 ILE 30 51.115 42.132 12.156
205 HD13 ILE 30 HD3 ILE 30 52.105 43.050 10.971
206 H DHA 31 HN DHA 31 49.016 45.412 13.603
207 HB1 DHA 31 HB1 DHA 31 47.125 46.743 13.660
208 HB2 DHA 31 HB2 DHA 31 46.755 47.458 15.372
209 H LYS 32 HN LYS 32 51.004 47.558 16.200
210 HA LYS 32 HA LYS 32 49.985 47.557 18.998
211 HB2 LYS 32 HB1 LYS 32 52.309 47.109 19.712
212 HB3 LYS 32 HB2 LYS 32 51.245 45.721 19.238
213 HG2 LYS 32 HG1 LYS 32 53.455 45.194 18.158
214 HG3 LYS 32 HG2 LYS 32 52.079 45.540 17.037
215 HD2 LYS 32 HD1 LYS 32 53.968 46.541 16.203
216 HD3 LYS 32 HD2 LYS 32 53.050 47.910 16.958
217 HE2 LYS 32 HE1 LYS 32 55.617 46.522 18.187
218 HE3 LYS 32 HE2 LYS 32 55.472 48.101 17.322
219 HZ1 LYS 32 HZ1 LYS 32 54.617 47.254 19.934
220 HZ2 LYS 32 HZ2 LYS 32 55.425 48.679 19.478
221 HZ3 LYS 32 HZ3 LYS 32 53.738 48.564 19.309
Start of MODEL 10
1 H1 TRP 1 H1 TRP 1 36.965 60.203 15.653
2 H2 TRP 1 H2 TRP 1 36.336 59.426 14.274
3 H3 TRP 1 H3 TRP 1 35.330 60.407 15.228
4 HA TRP 1 HA TRP 1 35.221 58.919 16.972
5 HB2 TRP 1 HB1 TRP 1 35.250 57.314 14.396
6 HB3 TRP 1 HB2 TRP 1 34.464 56.768 15.932
7 HD1 TRP 1 HD1 TRP 1 33.568 57.952 12.602
8 HE1 TRP 1 HE1 TRP 1 31.629 59.627 12.601
9 HE3 TRP 1 HE3 TRP 1 33.397 59.075 17.436
10 HZ2 TRP 1 HZ2 TRP 1 30.151 61.124 14.372
11 HZ3 TRP 1 HZ3 TRP 1 31.613 60.581 18.341
12 HH2 TRP 1 HH2 TRP 1 29.915 61.557 16.806
13 H LYS 2 HN LYS 2 36.183 57.217 18.230
14 HA LYS 2 HA LYS 2 39.085 56.970 17.748
15 HB2 LYS 2 HB1 LYS 2 37.394 56.214 20.127
16 HB3 LYS 2 HB2 LYS 2 39.113 55.723 19.906
17 HG2 LYS 2 HG1 LYS 2 39.649 58.114 19.767
18 HG3 LYS 2 HG2 LYS 2 37.903 58.556 19.707
19 HD2 LYS 2 HD1 LYS 2 37.669 57.702 22.104
20 HD3 LYS 2 HD2 LYS 2 39.440 57.325 22.100
21 HE2 LYS 2 HE1 LYS 2 39.996 59.736 21.969
22 HE3 LYS 2 HE2 LYS 2 38.241 60.180 22.053
23 HZ1 LYS 2 HZ1 LYS 2 38.083 59.715 24.150
24 HZ2 LYS 2 HZ2 LYS 2 39.138 58.384 24.018
25 HZ3 LYS 2 HZ3 LYS 2 39.764 59.951 24.166
26 H SER 3 HN SER 3 36.264 54.896 17.990
27 HA SER 3 HA SER 3 36.105 52.680 17.862
28 HB2 SER 3 HB1 SER 3 35.298 53.553 15.970
29 HB3 SER 3 HB2 SER 3 36.105 51.987 15.575
30 H GLN 4 HN GLN 4 37.589 52.702 19.458
31 HA GLN 4 HA GLN 4 38.792 51.420 20.789
32 HB2 GLN 4 HB1 GLN 4 39.824 49.822 18.370
33 HB3 GLN 4 HB2 GLN 4 40.034 49.434 20.130
34 HG2 GLN 4 HG1 GLN 4 37.500 49.525 18.572
35 HG3 GLN 4 HG2 GLN 4 38.453 48.008 18.844
36 HE21 GLN 4 1HE2 GLN 4 35.807 48.161 19.833
37 HE22 GLN 4 2HE2 GLN 4 35.895 47.921 21.544
38 H DHA 5 HN DHA 5 39.786 53.505 18.449
39 HB1 DHA 5 HB1 DHA 5 42.072 55.262 20.350
40 HB2 DHA 5 HB2 DHA 5 43.265 55.464 18.880
41 H PHE 6 HN PHE 6 40.564 52.500 16.709
42 HA PHE 6 HA PHE 6 42.016 53.264 14.610
43 HB2 PHE 6 HB1 PHE 6 43.276 50.625 14.500
44 HB3 PHE 6 HB2 PHE 6 44.075 52.072 15.224
45 HD1 PHE 6 HD1 PHE 6 41.575 49.344 15.947
46 HD2 PHE 6 HD2 PHE 6 44.823 51.834 17.436
47 HE1 PHE 6 HE1 PHE 6 41.441 48.225 18.036
48 HE2 PHE 6 HE2 PHE 6 44.673 50.661 19.462
49 HZ PHE 6 HZ PHE 6 42.951 49.013 19.939
50 H CYS 7 HN CYS 7 40.152 53.797 13.915
51 HA CYS 7 HA CYS 7 39.203 51.606 12.407
52 HB2 CYS 7 HB1 CYS 7 36.793 52.086 12.995
53 HB3 CYS 7 HB2 CYS 7 37.663 51.470 14.452
54 H THR 8 HN THR 8 39.228 55.110 13.157
55 HA THR 8 HA THR 8 40.899 54.639 10.950
56 HB THR 8 HB THR 8 40.936 57.177 10.698
57 HG21 THR 8 1HG2 THR 8 38.649 55.595 9.356
58 HG22 THR 8 2HG2 THR 8 39.455 57.113 8.824
59 HG23 THR 8 3HG2 THR 8 40.391 55.578 8.912
60 HA PRO 9 HA PRO 9 43.247 54.926 14.393
61 HB2 PRO 9 HB1 PRO 9 45.743 55.332 13.524
62 HB3 PRO 9 HB2 PRO 9 44.902 53.763 13.247
63 HG2 PRO 9 HG1 PRO 9 45.096 56.050 11.108
64 HG3 PRO 9 HG2 PRO 9 45.536 54.292 11.046
65 HD2 PRO 9 HD1 PRO 9 43.139 55.173 10.331
66 HD3 PRO 9 HD2 PRO 9 43.185 53.648 11.295
67 H GLY 10 HN GLY 10 43.614 57.591 12.195
68 HA2 GLY 10 HA1 GLY 10 43.678 59.585 14.339
69 HA3 GLY 10 HA2 GLY 10 44.641 59.694 12.791
70 H CYS 11 HN CYS 11 41.689 58.870 13.902
71 HA CYS 11 HA CYS 11 40.757 58.981 11.389
72 HB2 CYS 11 HB1 CYS 11 39.743 57.816 13.593
73 HB3 CYS 11 HB2 CYS 11 38.430 59.016 13.229
74 H VAL 12 HN VAL 12 38.653 62.297 12.472
75 HA VAL 12 HA VAL 12 41.113 61.977 13.610
76 HB VAL 12 HB VAL 12 40.826 63.709 14.895
77 HG11 VAL 12 1HG1 VAL 12 39.660 64.073 12.047
78 HG12 VAL 12 2HG1 VAL 12 40.072 65.468 13.121
79 HG13 VAL 12 3HG1 VAL 12 41.326 64.238 12.709
80 HG21 VAL 12 1HG2 VAL 12 38.267 64.833 14.632
81 HG22 VAL 12 2HG2 VAL 12 37.821 63.176 14.081
82 HG23 VAL 12 3HG2 VAL 12 38.434 63.433 15.756
83 H THR 13 HN THR 13 41.820 61.450 15.936
84 HA THR 13 HA THR 13 39.701 60.010 17.372
85 HB THR 13 HB THR 13 41.552 58.829 18.622
86 HG21 THR 13 1HG2 THR 13 41.737 58.539 15.692
87 HG22 THR 13 2HG2 THR 13 41.648 57.155 16.845
88 HG23 THR 13 3HG2 THR 13 40.164 58.091 16.452
89 H GLY 14 HN GLY 14 40.662 62.884 16.807
90 HA2 GLY 14 HA1 GLY 14 39.867 64.629 17.968
91 HA3 GLY 14 HA2 GLY 14 39.821 63.657 19.515
92 H VAL 15 HN VAL 15 42.647 63.058 17.960
93 HA VAL 15 HA VAL 15 44.125 64.368 19.923
94 HB VAL 15 HB VAL 15 44.255 62.239 17.968
95 HG11 VAL 15 1HG1 VAL 15 46.656 61.961 17.869
96 HG12 VAL 15 2HG1 VAL 15 46.375 63.614 17.220
97 HG13 VAL 15 3HG1 VAL 15 46.954 63.394 18.911
98 HG21 VAL 15 1HG2 VAL 15 43.814 61.701 20.236
99 HG22 VAL 15 2HG2 VAL 15 45.525 61.267 19.897
100 HG23 VAL 15 3HG2 VAL 15 45.141 62.750 20.846
101 H LEU 16 HN LEU 16 44.704 66.496 16.573
102 HA LEU 16 HA LEU 16 42.491 64.774 16.080
103 HB2 LEU 16 HB1 LEU 16 44.534 66.319 14.382
104 HB3 LEU 16 HB2 LEU 16 42.926 65.633 13.912
105 HG LEU 16 HG LEU 16 43.497 67.955 15.902
106 HD11 LEU 16 1HD1 LEU 16 43.868 68.486 13.473
107 HD12 LEU 16 2HD1 LEU 16 42.118 68.152 13.162
108 HD13 LEU 16 3HD1 LEU 16 42.599 69.517 14.230
109 HD21 LEU 16 1HD2 LEU 16 41.091 68.394 15.704
110 HD22 LEU 16 2HD2 LEU 16 40.746 66.722 15.138
111 HD23 LEU 16 3HD2 LEU 16 41.447 66.990 16.769
112 H GLN 17 HN GLN 17 45.941 64.330 15.098
113 HA GLN 17 HA GLN 17 45.065 61.963 13.671
114 HB2 GLN 17 HB1 GLN 17 47.037 63.970 12.715
115 HB3 GLN 17 HB2 GLN 17 46.710 62.323 12.041
116 HG2 GLN 17 HG1 GLN 17 44.324 63.289 11.670
117 HG3 GLN 17 HG2 GLN 17 45.015 64.822 12.351
118 HE21 GLN 17 1HE2 GLN 17 44.114 65.142 9.823
119 HE22 GLN 17 2HE2 GLN 17 45.480 65.338 8.789
120 H MDH 18 HN MDH 18 46.658 59.969 13.769
121 HB MDH 18 HB1 MDH 18 48.628 57.702 15.298
122 HG1 MDH 18 HG1 MDH 18 49.961 58.080 13.441
123 HG2 MDH 18 HG2 MDH 18 48.413 57.860 12.547
124 HG3 MDH 18 HG3 MDH 18 49.056 59.519 12.842
125 H CYS 19 HN CYS 19 45.618 58.778 16.068
126 HA CYS 19 HA CYS 19 45.912 59.613 18.739
127 HB2 CYS 19 HB1 CYS 19 44.185 57.428 17.439
128 HB3 CYS 19 HB2 CYS 19 43.726 58.155 19.034
129 H PHE 20 HN PHE 20 46.691 56.754 17.053
130 HA PHE 20 HA PHE 20 48.115 55.820 19.280
131 HB2 PHE 20 HB1 PHE 20 45.628 54.460 18.876
132 HB3 PHE 20 HB2 PHE 20 46.564 53.734 17.501
133 HD1 PHE 20 HD1 PHE 20 45.804 53.743 21.040
134 HD2 PHE 20 HD2 PHE 20 48.410 52.369 18.152
135 HE1 PHE 20 HE1 PHE 20 46.882 52.393 22.787
136 HE2 PHE 20 HE2 PHE 20 49.357 50.671 19.748
137 HZ PHE 20 HZ PHE 20 48.600 50.710 22.029
138 H ILE 21 HN ILE 21 50.004 54.775 18.795
139 HA ILE 21 HA ILE 21 50.832 54.403 16.074
140 HB ILE 21 HB ILE 21 51.885 56.304 18.189
141 HG12 ILE 21 1HG1 ILE 21 51.708 56.649 15.140
142 HG13 ILE 21 2HG1 ILE 21 50.295 56.938 16.241
143 HG21 ILE 21 1HG2 ILE 21 53.954 56.626 16.990
144 HG22 ILE 21 2HG2 ILE 21 53.696 55.145 17.981
145 HG23 ILE 21 3HG2 ILE 21 53.780 55.026 16.189
146 HD11 ILE 21 HD1 ILE 21 51.078 59.098 16.217
147 HD12 ILE 21 HD2 ILE 21 52.001 58.420 17.611
148 HD13 ILE 21 HD3 ILE 21 52.819 58.684 16.032
149 H GLN 22 HN GLN 22 52.444 51.782 17.769
150 HA GLN 22 HA GLN 22 52.804 53.361 15.361
151 HB2 GLN 22 HB1 GLN 22 54.673 51.988 16.502
152 HB3 GLN 22 HB2 GLN 22 53.823 50.590 15.739
153 HG2 GLN 22 HG1 GLN 22 54.160 51.320 13.539
154 HG3 GLN 22 HG2 GLN 22 54.720 52.975 14.000
155 HE21 GLN 22 1HE2 GLN 22 56.800 53.149 13.209
156 HE22 GLN 22 2HE2 GLN 22 58.059 52.047 13.658
157 H THR 23 HN THR 23 50.614 51.037 16.448
158 HA THR 23 HA THR 23 50.232 50.073 13.891
159 HB THR 23 HB THR 23 49.688 48.647 15.818
160 HG21 THR 23 1HG2 THR 23 48.352 50.535 16.872
161 HG22 THR 23 2HG2 THR 23 46.998 50.343 15.694
162 HG23 THR 23 3HG2 THR 23 47.491 48.958 16.739
163 H ALA 24 HN ALA 24 49.849 52.991 14.431
164 HA ALA 24 HA ALA 24 47.652 53.541 12.566
165 HB1 ALA 24 HB1 ALA 24 48.977 55.695 12.203
166 HB2 ALA 24 HB2 ALA 24 48.494 55.271 13.891
167 HB3 ALA 24 HB3 ALA 24 50.226 55.147 13.378
168 H THR 25 HN THR 25 50.908 52.296 12.329
169 HA THR 25 HA THR 25 49.483 51.121 10.217
170 HB THR 25 HB THR 25 52.451 51.190 9.751
171 HG21 THR 25 1HG2 THR 25 51.306 53.506 9.258
172 HG22 THR 25 2HG2 THR 25 51.935 52.636 7.809
173 HG23 THR 25 3HG2 THR 25 50.165 52.753 8.082
174 H CYS 26 HN CYS 26 48.872 49.453 11.293
175 HA CYS 26 HA CYS 26 50.719 47.407 11.432
176 HB2 CYS 26 HB1 CYS 26 49.449 46.332 13.481
177 HB3 CYS 26 HB2 CYS 26 50.510 47.763 13.764
178 H ASN 27 HN ASN 27 49.742 45.571 10.717
179 HA ASN 27 HA ASN 27 48.693 44.623 9.039
180 HB2 ASN 27 HB1 ASN 27 46.926 46.875 8.385
181 HB3 ASN 27 HB2 ASN 27 47.066 45.239 7.639
182 HD21 ASN 27 1HD2 ASN 27 45.955 46.866 10.797
183 HD22 ASN 27 2HD2 ASN 27 44.826 45.575 11.021
184 H CYS 28 HN CYS 28 49.783 48.051 8.483
185 HA CYS 28 HA CYS 28 51.697 47.319 6.770
186 HB2 CYS 28 HB1 CYS 28 52.387 48.851 9.447
187 HB3 CYS 28 HB2 CYS 28 53.119 49.058 7.798
188 H HIS 29 HN HIS 29 51.364 46.671 10.317
189 HA HIS 29 HA HIS 29 53.598 45.020 10.398
190 HB2 HIS 29 HB1 HIS 29 54.343 47.483 10.328
191 HB3 HIS 29 HB2 HIS 29 53.354 47.786 11.816
192 HD2 HIS 29 HD2 HIS 29 54.740 47.655 14.108
193 HE1 HIS 29 HE1 HIS 29 57.391 44.551 12.791
194 HE2 HIS 29 HE2 HIS 29 56.556 45.931 14.892
195 H ILE 30 HN ILE 30 54.075 44.970 13.081
196 HA ILE 30 HA ILE 30 52.042 43.481 14.156
197 HB ILE 30 HB ILE 30 54.424 44.772 15.495
198 HG12 ILE 30 1HG1 ILE 30 55.335 43.586 13.564
199 HG13 ILE 30 2HG1 ILE 30 55.517 42.488 14.992
200 HG21 ILE 30 1HG2 ILE 30 52.677 42.227 16.097
201 HG22 ILE 30 2HG2 ILE 30 54.289 42.579 16.833
202 HG23 ILE 30 3HG2 ILE 30 52.919 43.722 17.066
203 HD11 ILE 30 HD1 ILE 30 53.848 41.016 14.244
204 HD12 ILE 30 HD2 ILE 30 53.199 42.132 12.975
205 HD13 ILE 30 HD3 ILE 30 54.904 41.535 12.870
206 H DHA 31 HN DHA 31 50.672 44.054 15.495
207 HB1 DHA 31 HB1 DHA 31 48.173 44.659 15.712
208 HB2 DHA 31 HB2 DHA 31 47.943 45.612 17.332
209 H LYS 32 HN LYS 32 51.523 47.711 16.677
210 HA LYS 32 HA LYS 32 51.142 48.122 19.492
211 HB2 LYS 32 HB1 LYS 32 53.691 48.017 19.970
212 HB3 LYS 32 HB2 LYS 32 52.830 46.468 19.635
213 HG2 LYS 32 HG1 LYS 32 55.145 46.766 18.832
214 HG3 LYS 32 HG2 LYS 32 53.914 45.976 17.768
215 HD2 LYS 32 HD1 LYS 32 55.104 47.039 16.364
216 HD3 LYS 32 HD2 LYS 32 53.916 48.367 16.646
217 HE2 LYS 32 HE1 LYS 32 56.868 48.033 17.659
218 HE3 LYS 32 HE2 LYS 32 56.142 49.349 16.644
219 HZ1 LYS 32 HZ1 LYS 32 55.939 49.083 19.568
220 HZ2 LYS 32 HZ2 LYS 32 56.046 50.434 18.559
221 HZ3 LYS 32 HZ3 LYS 32 54.587 49.555 18.647
Start of MODEL 11
1 H1 TRP 1 H1 TRP 1 37.312 59.317 15.040
2 H2 TRP 1 H2 TRP 1 36.381 58.474 13.903
3 H3 TRP 1 H3 TRP 1 35.675 59.726 14.801
4 HA TRP 1 HA TRP 1 35.969 58.723 16.856
5 HB2 TRP 1 HB1 TRP 1 34.843 56.739 14.787
6 HB3 TRP 1 HB2 TRP 1 34.605 56.690 16.579
7 HD1 TRP 1 HD1 TRP 1 32.893 58.048 13.650
8 HE1 TRP 1 HE1 TRP 1 31.029 59.848 14.367
9 HE3 TRP 1 HE3 TRP 1 34.070 58.342 18.485
10 HZ2 TRP 1 HZ2 TRP 1 30.158 60.871 16.787
11 HZ3 TRP 1 HZ3 TRP 1 32.912 59.869 19.873
12 HH2 TRP 1 HH2 TRP 1 30.833 61.068 19.109
13 H LYS 2 HN LYS 2 36.984 57.115 18.277
14 HA LYS 2 HA LYS 2 39.253 55.909 17.227
15 HB2 LYS 2 HB1 LYS 2 38.110 55.727 20.030
16 HB3 LYS 2 HB2 LYS 2 39.683 55.112 19.371
17 HG2 LYS 2 HG1 LYS 2 40.460 57.319 19.034
18 HG3 LYS 2 HG2 LYS 2 38.889 58.055 19.552
19 HD2 LYS 2 HD1 LYS 2 38.896 57.419 21.534
20 HD3 LYS 2 HD2 LYS 2 40.454 56.494 21.615
21 HE2 LYS 2 HE1 LYS 2 41.818 58.580 21.097
22 HE3 LYS 2 HE2 LYS 2 40.259 59.503 21.047
23 HZ1 LYS 2 HZ1 LYS 2 39.919 58.659 23.434
24 HZ2 LYS 2 HZ2 LYS 2 41.567 58.249 23.282
25 HZ3 LYS 2 HZ3 LYS 2 41.076 59.872 23.106
26 H SER 3 HN SER 3 36.108 54.724 18.121
27 HA SER 3 HA SER 3 35.150 53.269 17.576
28 HB2 SER 3 HB1 SER 3 34.863 54.058 15.458
29 HB3 SER 3 HB2 SER 3 34.838 52.260 15.251
30 H GLN 4 HN GLN 4 36.743 52.349 19.289
31 HA GLN 4 HA GLN 4 37.149 50.571 20.337
32 HB2 GLN 4 HB1 GLN 4 35.587 48.960 18.293
33 HB3 GLN 4 HB2 GLN 4 36.316 48.307 19.816
34 HG2 GLN 4 HG1 GLN 4 34.214 50.446 19.473
35 HG3 GLN 4 HG2 GLN 4 33.873 48.721 19.929
36 HE21 GLN 4 1HE2 GLN 4 32.815 50.853 21.517
37 HE22 GLN 4 2HE2 GLN 4 33.886 51.164 22.852
38 H DHA 5 HN DHA 5 39.129 51.499 18.900
39 HB1 DHA 5 HB1 DHA 5 41.098 51.905 20.294
40 HB2 DHA 5 HB2 DHA 5 42.672 51.097 19.617
41 H PHE 6 HN PHE 6 42.020 49.191 16.021
42 HA PHE 6 HA PHE 6 40.387 51.546 16.768
43 HB2 PHE 6 HB1 PHE 6 43.062 51.483 15.361
44 HB3 PHE 6 HB2 PHE 6 41.916 52.864 15.185
45 HD1 PHE 6 HD1 PHE 6 44.619 51.380 17.263
46 HD2 PHE 6 HD2 PHE 6 41.285 54.087 17.088
47 HE1 PHE 6 HE1 PHE 6 45.441 52.527 19.072
48 HE2 PHE 6 HE2 PHE 6 42.194 55.351 18.919
49 HZ PHE 6 HZ PHE 6 44.406 54.580 19.949
50 H CYS 7 HN CYS 7 39.156 52.325 15.134
51 HA CYS 7 HA CYS 7 38.562 50.348 13.055
52 HB2 CYS 7 HB1 CYS 7 36.537 51.506 12.760
53 HB3 CYS 7 HB2 CYS 7 36.822 51.073 14.497
54 H THR 8 HN THR 8 39.652 53.531 13.401
55 HA THR 8 HA THR 8 41.220 53.063 11.110
56 HB THR 8 HB THR 8 41.202 55.845 10.797
57 HG21 THR 8 1HG2 THR 8 41.115 54.067 9.166
58 HG22 THR 8 2HG2 THR 8 39.340 53.931 9.411
59 HG23 THR 8 3HG2 THR 8 40.039 55.458 8.769
60 HA PRO 9 HA PRO 9 43.565 53.756 14.537
61 HB2 PRO 9 HB1 PRO 9 45.785 54.466 12.504
62 HB3 PRO 9 HB2 PRO 9 46.063 53.613 14.079
63 HG2 PRO 9 HG1 PRO 9 45.717 52.293 11.668
64 HG3 PRO 9 HG2 PRO 9 44.846 51.682 13.133
65 HD2 PRO 9 HD1 PRO 9 43.820 53.230 10.807
66 HD3 PRO 9 HD2 PRO 9 42.815 52.101 11.811
67 H GLY 10 HN GLY 10 43.529 56.132 12.068
68 HA2 GLY 10 HA1 GLY 10 44.091 58.369 13.950
69 HA3 GLY 10 HA2 GLY 10 44.768 58.247 12.263
70 H CYS 11 HN CYS 11 41.590 57.556 13.566
71 HA CYS 11 HA CYS 11 40.830 57.852 11.102
72 HB2 CYS 11 HB1 CYS 11 40.016 56.443 13.272
73 HB3 CYS 11 HB2 CYS 11 38.605 57.572 13.097
74 H VAL 12 HN VAL 12 38.469 60.832 12.353
75 HA VAL 12 HA VAL 12 41.176 60.776 13.216
76 HB VAL 12 HB VAL 12 40.729 62.762 14.250
77 HG11 VAL 12 1HG1 VAL 12 38.905 62.996 11.857
78 HG12 VAL 12 2HG1 VAL 12 40.151 64.116 12.519
79 HG13 VAL 12 3HG1 VAL 12 40.660 62.630 11.634
80 HG21 VAL 12 1HG2 VAL 12 38.566 62.360 15.537
81 HG22 VAL 12 2HG2 VAL 12 38.529 63.803 14.459
82 HG23 VAL 12 3HG2 VAL 12 37.670 62.299 13.976
83 H THR 13 HN THR 13 42.115 60.309 15.274
84 HA THR 13 HA THR 13 40.253 59.381 17.373
85 HB THR 13 HB THR 13 42.130 58.527 18.501
86 HG21 THR 13 1HG2 THR 13 41.865 57.667 15.476
87 HG22 THR 13 2HG2 THR 13 42.487 56.644 16.816
88 HG23 THR 13 3HG2 THR 13 40.785 57.247 16.856
89 H GLY 14 HN GLY 14 40.943 62.085 16.159
90 HA2 GLY 14 HA1 GLY 14 39.799 63.818 17.058
91 HA3 GLY 14 HA2 GLY 14 40.065 63.146 18.735
92 H VAL 15 HN VAL 15 42.898 62.550 17.590
93 HA VAL 15 HA VAL 15 44.013 64.746 18.836
94 HB VAL 15 HB VAL 15 44.792 62.478 19.189
95 HG11 VAL 15 1HG1 VAL 15 45.013 61.647 16.907
96 HG12 VAL 15 2HG1 VAL 15 46.161 62.972 16.491
97 HG13 VAL 15 3HG1 VAL 15 46.622 61.720 17.712
98 HG21 VAL 15 1HG2 VAL 15 46.886 64.699 18.641
99 HG22 VAL 15 2HG2 VAL 15 45.838 64.500 20.086
100 HG23 VAL 15 3HG2 VAL 15 47.078 63.258 19.693
101 H LEU 16 HN LEU 16 44.996 65.600 15.067
102 HA LEU 16 HA LEU 16 42.558 64.165 15.544
103 HB2 LEU 16 HB1 LEU 16 43.576 65.600 13.109
104 HB3 LEU 16 HB2 LEU 16 42.206 64.426 13.252
105 HG LEU 16 HG LEU 16 40.964 65.982 14.779
106 HD11 LEU 16 1HD1 LEU 16 43.387 67.771 14.725
107 HD12 LEU 16 2HD1 LEU 16 41.783 68.298 15.349
108 HD13 LEU 16 3HD1 LEU 16 42.689 66.971 16.179
109 HD21 LEU 16 1HD2 LEU 16 40.704 66.384 12.310
110 HD22 LEU 16 2HD2 LEU 16 40.669 67.794 13.445
111 HD23 LEU 16 3HD2 LEU 16 42.114 67.494 12.423
112 H GLN 17 HN GLN 17 45.744 63.658 14.146
113 HA GLN 17 HA GLN 17 44.991 60.924 13.401
114 HB2 GLN 17 HB1 GLN 17 46.249 61.242 11.176
115 HB3 GLN 17 HB2 GLN 17 44.964 62.487 11.450
116 HG2 GLN 17 HG1 GLN 17 46.469 64.079 11.740
117 HG3 GLN 17 HG2 GLN 17 47.850 63.053 12.270
118 HE21 GLN 17 1HE2 GLN 17 46.108 64.002 9.195
119 HE22 GLN 17 2HE2 GLN 17 47.475 63.525 8.237
120 H MDH 18 HN MDH 18 46.542 59.406 13.216
121 HB MDH 18 HB1 MDH 18 49.199 57.366 14.696
122 HG1 MDH 18 HG1 MDH 18 46.735 57.327 12.889
123 HG2 MDH 18 HG2 MDH 18 48.151 56.214 12.917
124 HG3 MDH 18 HG3 MDH 18 47.107 56.388 14.380
125 H CYS 19 HN CYS 19 46.082 58.051 15.832
126 HA CYS 19 HA CYS 19 46.462 59.155 18.442
127 HB2 CYS 19 HB1 CYS 19 44.539 56.931 17.502
128 HB3 CYS 19 HB2 CYS 19 44.466 57.933 19.007
129 H PHE 20 HN PHE 20 47.498 56.162 17.163
130 HA PHE 20 HA PHE 20 48.917 55.956 19.766
131 HB2 PHE 20 HB1 PHE 20 46.838 54.567 19.856
132 HB3 PHE 20 HB2 PHE 20 47.545 53.504 18.574
133 HD1 PHE 20 HD1 PHE 20 47.020 54.141 21.952
134 HD2 PHE 20 HD2 PHE 20 49.984 52.449 19.341
135 HE1 PHE 20 HE1 PHE 20 48.012 52.935 23.784
136 HE2 PHE 20 HE2 PHE 20 50.946 51.435 21.166
137 HZ PHE 20 HZ PHE 20 49.910 51.425 23.405
138 H ILE 21 HN ILE 21 50.943 55.419 19.526
139 HA ILE 21 HA ILE 21 51.996 54.640 16.976
140 HB ILE 21 HB ILE 21 53.123 55.966 19.476
141 HG12 ILE 21 1HG1 ILE 21 52.401 57.074 16.787
142 HG13 ILE 21 2HG1 ILE 21 51.616 57.394 18.387
143 HG21 ILE 21 1HG2 ILE 21 55.166 56.334 18.266
144 HG22 ILE 21 2HG2 ILE 21 54.941 54.551 18.108
145 HG23 ILE 21 3HG2 ILE 21 54.661 55.621 16.689
146 HD11 ILE 21 HD1 ILE 21 53.105 59.352 17.549
147 HD12 ILE 21 HD2 ILE 21 53.824 58.660 19.049
148 HD13 ILE 21 HD3 ILE 21 54.453 58.158 17.434
149 H GLN 22 HN GLN 22 52.463 51.626 18.233
150 HA GLN 22 HA GLN 22 54.108 53.095 16.369
151 HB2 GLN 22 HB1 GLN 22 54.546 50.932 17.530
152 HB3 GLN 22 HB2 GLN 22 53.221 50.289 16.493
153 HG2 GLN 22 HG1 GLN 22 55.325 49.608 15.532
154 HG3 GLN 22 HG2 GLN 22 54.333 50.709 14.498
155 HE21 GLN 22 1HE2 GLN 22 55.221 52.594 13.710
156 HE22 GLN 22 2HE2 GLN 22 56.684 53.336 14.284
157 H THR 23 HN THR 23 50.734 52.275 16.466
158 HA THR 23 HA THR 23 50.618 51.625 13.872
159 HB THR 23 HB THR 23 49.466 50.670 15.605
160 HG21 THR 23 1HG2 THR 23 48.460 52.529 16.901
161 HG22 THR 23 2HG2 THR 23 47.903 53.247 15.339
162 HG23 THR 23 3HG2 THR 23 47.075 51.794 16.002
163 H ALA 24 HN ALA 24 51.018 54.599 14.928
164 HA ALA 24 HA ALA 24 50.101 55.912 12.626
165 HB1 ALA 24 HB1 ALA 24 52.563 56.367 14.378
166 HB2 ALA 24 HB2 ALA 24 52.242 57.351 12.902
167 HB3 ALA 24 HB3 ALA 24 51.064 57.359 14.266
168 H THR 25 HN THR 25 52.792 53.406 12.763
169 HA THR 25 HA THR 25 51.188 53.171 10.552
170 HB THR 25 HB THR 25 53.886 51.910 10.124
171 HG21 THR 25 1HG2 THR 25 53.122 54.632 9.059
172 HG22 THR 25 2HG2 THR 25 54.510 54.504 10.198
173 HG23 THR 25 3HG2 THR 25 54.566 53.648 8.617
174 H CYS 26 HN CYS 26 49.946 51.627 10.710
175 HA CYS 26 HA CYS 26 50.694 49.119 11.425
176 HB2 CYS 26 HB1 CYS 26 48.748 48.533 12.818
177 HB3 CYS 26 HB2 CYS 26 50.061 49.491 13.616
178 H ASN 27 HN ASN 27 48.656 47.945 10.284
179 HA ASN 27 HA ASN 27 47.908 47.615 8.326
180 HB2 ASN 27 HB1 ASN 27 47.557 50.564 7.642
181 HB3 ASN 27 HB2 ASN 27 46.998 49.104 6.726
182 HD21 ASN 27 1HD2 ASN 27 45.837 51.516 8.590
183 HD22 ASN 27 2HD2 ASN 27 44.565 50.681 9.428
184 H CYS 28 HN CYS 28 50.422 50.313 8.607
185 HA CYS 28 HA CYS 28 52.107 49.417 6.735
186 HB2 CYS 28 HB1 CYS 28 52.961 50.200 9.579
187 HB3 CYS 28 HB2 CYS 28 53.829 50.406 8.011
188 H HIS 29 HN HIS 29 51.107 48.095 9.774
189 HA HIS 29 HA HIS 29 52.987 45.997 9.911
190 HB2 HIS 29 HB1 HIS 29 54.484 47.985 10.531
191 HB3 HIS 29 HB2 HIS 29 53.257 48.513 11.751
192 HD2 HIS 29 HD2 HIS 29 54.480 48.048 14.229
193 HE1 HIS 29 HE1 HIS 29 56.048 44.222 13.144
194 HE2 HIS 29 HE2 HIS 29 56.036 46.001 14.898
195 H ILE 30 HN ILE 30 53.087 45.280 12.375
196 HA ILE 30 HA ILE 30 50.520 44.436 13.177
197 HB ILE 30 HB ILE 30 52.960 44.852 14.709
198 HG12 ILE 30 1HG1 ILE 30 53.410 43.371 12.796
199 HG13 ILE 30 2HG1 ILE 30 53.321 42.377 14.305
200 HG21 ILE 30 1HG2 ILE 30 50.825 44.474 16.158
201 HG22 ILE 30 2HG2 ILE 30 50.554 42.961 15.222
202 HG23 ILE 30 3HG2 ILE 30 51.989 43.113 16.311
203 HD11 ILE 30 HD1 ILE 30 51.013 42.580 12.293
204 HD12 ILE 30 HD2 ILE 30 52.143 41.189 12.439
205 HD13 ILE 30 HD3 ILE 30 51.114 41.653 13.837
206 H DHA 31 HN DHA 31 49.045 45.397 13.890
207 HB1 DHA 31 HB1 DHA 31 46.728 46.608 13.904
208 HB2 DHA 31 HB2 DHA 31 46.499 47.428 15.599
209 H LYS 32 HN LYS 32 50.435 48.424 16.148
210 HA LYS 32 HA LYS 32 49.634 48.422 18.944
211 HB2 LYS 32 HB1 LYS 32 51.648 47.390 19.715
212 HB3 LYS 32 HB2 LYS 32 50.583 46.256 18.776
213 HG2 LYS 32 HG1 LYS 32 52.650 45.578 18.315
214 HG3 LYS 32 HG2 LYS 32 51.897 46.324 16.851
215 HD2 LYS 32 HD1 LYS 32 54.121 46.712 16.800
216 HD3 LYS 32 HD2 LYS 32 53.434 48.354 17.146
217 HE2 LYS 32 HE1 LYS 32 54.606 46.299 19.305
218 HE3 LYS 32 HE2 LYS 32 55.535 47.534 18.361
219 HZ1 LYS 32 HZ1 LYS 32 53.974 47.713 20.668
220 HZ2 LYS 32 HZ2 LYS 32 54.972 48.934 20.034
221 HZ3 LYS 32 HZ3 LYS 32 53.357 48.809 19.529
Start of MODEL 12
1 H1 TRP 1 H1 TRP 1 35.085 60.162 15.249
2 H2 TRP 1 H2 TRP 1 36.761 60.034 15.441
3 H3 TRP 1 H3 TRP 1 35.912 58.840 14.583
4 HA TRP 1 HA TRP 1 35.423 59.547 17.408
5 HB2 TRP 1 HB1 TRP 1 34.099 57.299 15.824
6 HB3 TRP 1 HB2 TRP 1 34.008 57.668 17.592
7 HD1 TRP 1 HD1 TRP 1 32.137 58.376 14.629
8 HE1 TRP 1 HE1 TRP 1 30.065 59.860 15.462
9 HE3 TRP 1 HE3 TRP 1 33.926 59.830 19.026
10 HZ2 TRP 1 HZ2 TRP 1 29.576 61.723 17.461
11 HZ3 TRP 1 HZ3 TRP 1 32.534 61.314 20.515
12 HH2 TRP 1 HH2 TRP 1 30.493 62.261 19.744
13 H LYS 2 HN LYS 2 36.066 57.915 19.110
14 HA LYS 2 HA LYS 2 38.591 57.002 18.351
15 HB2 LYS 2 HB1 LYS 2 37.266 57.209 21.115
16 HB3 LYS 2 HB2 LYS 2 39.035 57.228 20.751
17 HG2 LYS 2 HG1 LYS 2 38.869 59.348 19.661
18 HG3 LYS 2 HG2 LYS 2 37.072 59.477 19.874
19 HD2 LYS 2 HD1 LYS 2 37.385 59.098 22.315
20 HD3 LYS 2 HD2 LYS 2 39.133 59.507 22.111
21 HE2 LYS 2 HE1 LYS 2 38.358 61.615 20.906
22 HE3 LYS 2 HE2 LYS 2 36.634 61.305 21.372
23 HZ1 LYS 2 HZ1 LYS 2 37.337 62.158 23.495
24 HZ2 LYS 2 HZ2 LYS 2 38.560 60.979 23.411
25 HZ3 LYS 2 HZ3 LYS 2 38.830 62.541 22.777
26 H SER 3 HN SER 3 35.600 55.320 18.707
27 HA SER 3 HA SER 3 34.995 53.527 18.735
28 HB2 SER 3 HB1 SER 3 35.048 52.696 16.643
29 HB3 SER 3 HB2 SER 3 36.855 52.607 16.698
30 H GLN 4 HN GLN 4 36.825 53.098 20.884
31 HA GLN 4 HA GLN 4 37.511 51.611 22.232
32 HB2 GLN 4 HB1 GLN 4 36.642 49.433 20.311
33 HB3 GLN 4 HB2 GLN 4 37.120 49.243 22.041
34 HG2 GLN 4 HG1 GLN 4 34.669 50.603 20.765
35 HG3 GLN 4 HG2 GLN 4 34.698 49.212 21.919
36 HE21 GLN 4 1HE2 GLN 4 33.942 52.437 21.537
37 HE22 GLN 4 2HE2 GLN 4 33.928 52.914 23.205
38 H DHA 5 HN DHA 5 38.858 51.247 18.908
39 HB1 DHA 5 HB1 DHA 5 41.493 49.326 19.673
40 HB2 DHA 5 HB2 DHA 5 42.929 50.551 19.491
41 H PHE 6 HN PHE 6 40.413 51.909 17.293
42 HA PHE 6 HA PHE 6 39.697 54.505 17.613
43 HB2 PHE 6 HB1 PHE 6 41.306 55.320 15.643
44 HB3 PHE 6 HB2 PHE 6 42.116 55.062 17.240
45 HD1 PHE 6 HD1 PHE 6 41.167 53.177 14.072
46 HD2 PHE 6 HD2 PHE 6 43.711 53.536 17.376
47 HE1 PHE 6 HE1 PHE 6 42.364 51.155 13.344
48 HE2 PHE 6 HE2 PHE 6 44.946 51.370 16.638
49 HZ PHE 6 HZ PHE 6 44.012 50.182 14.778
50 H CYS 7 HN CYS 7 38.579 55.128 15.341
51 HA CYS 7 HA CYS 7 37.504 52.525 14.502
52 HB2 CYS 7 HB1 CYS 7 36.447 55.224 13.657
53 HB3 CYS 7 HB2 CYS 7 35.611 53.621 13.836
54 H THR 8 HN THR 8 39.402 55.119 13.757
55 HA THR 8 HA THR 8 40.531 54.110 11.443
56 HB THR 8 HB THR 8 40.538 56.700 10.542
57 HG21 THR 8 1HG2 THR 8 40.110 54.463 9.247
58 HG22 THR 8 2HG2 THR 8 38.518 54.402 10.092
59 HG23 THR 8 3HG2 THR 8 38.866 55.735 8.923
60 HA PRO 9 HA PRO 9 43.647 55.219 13.880
61 HB2 PRO 9 HB1 PRO 9 45.882 55.588 12.142
62 HB3 PRO 9 HB2 PRO 9 45.176 54.008 12.697
63 HG2 PRO 9 HG1 PRO 9 44.684 55.514 10.069
64 HG3 PRO 9 HG2 PRO 9 44.905 53.734 10.337
65 HD2 PRO 9 HD1 PRO 9 42.399 54.923 10.039
66 HD3 PRO 9 HD2 PRO 9 42.773 53.516 11.107
67 H GLY 10 HN GLY 10 42.966 57.494 11.284
68 HA2 GLY 10 HA1 GLY 10 43.385 59.550 13.317
69 HA3 GLY 10 HA2 GLY 10 44.055 59.681 11.625
70 H CYS 11 HN CYS 11 41.011 58.450 13.130
71 HA CYS 11 HA CYS 11 39.773 58.694 10.801
72 HB2 CYS 11 HB1 CYS 11 39.218 57.413 13.326
73 HB3 CYS 11 HB2 CYS 11 37.790 58.470 12.993
74 H VAL 12 HN VAL 12 37.824 61.921 12.103
75 HA VAL 12 HA VAL 12 40.426 61.524 13.007
76 HB VAL 12 HB VAL 12 40.260 63.466 14.169
77 HG11 VAL 12 1HG1 VAL 12 39.931 64.995 12.358
78 HG12 VAL 12 2HG1 VAL 12 40.767 63.532 11.753
79 HG13 VAL 12 3HG1 VAL 12 39.029 63.792 11.372
80 HG21 VAL 12 1HG2 VAL 12 37.335 63.583 13.205
81 HG22 VAL 12 2HG2 VAL 12 37.764 63.144 14.896
82 HG23 VAL 12 3HG2 VAL 12 38.157 64.790 14.262
83 H THR 13 HN THR 13 41.252 60.808 14.600
84 HA THR 13 HA THR 13 39.756 60.335 17.132
85 HB THR 13 HB THR 13 41.599 59.499 18.180
86 HG21 THR 13 1HG2 THR 13 41.541 57.262 16.936
87 HG22 THR 13 2HG2 THR 13 39.930 58.051 17.171
88 HG23 THR 13 3HG2 THR 13 40.734 58.095 15.553
89 H GLY 14 HN GLY 14 41.106 62.801 15.447
90 HA2 GLY 14 HA1 GLY 14 41.058 64.865 15.944
91 HA3 GLY 14 HA2 GLY 14 40.111 64.389 17.430
92 H VAL 15 HN VAL 15 43.199 63.244 16.938
93 HA VAL 15 HA VAL 15 44.380 64.692 19.021
94 HB VAL 15 HB VAL 15 44.301 62.380 18.998
95 HG11 VAL 15 1HG1 VAL 15 44.873 62.197 16.511
96 HG12 VAL 15 2HG1 VAL 15 46.625 62.438 16.882
97 HG13 VAL 15 3HG1 VAL 15 45.738 61.048 17.606
98 HG21 VAL 15 1HG2 VAL 15 47.094 63.650 19.071
99 HG22 VAL 15 2HG2 VAL 15 45.923 63.578 20.449
100 HG23 VAL 15 3HG2 VAL 15 46.861 62.112 19.973
101 H LEU 16 HN LEU 16 46.070 65.925 15.661
102 HA LEU 16 HA LEU 16 43.333 65.206 15.432
103 HB2 LEU 16 HB1 LEU 16 44.725 67.135 14.331
104 HB3 LEU 16 HB2 LEU 16 45.032 65.883 13.070
105 HG LEU 16 HG LEU 16 42.543 65.569 12.832
106 HD11 LEU 16 1HD1 LEU 16 42.061 68.259 14.283
107 HD12 LEU 16 2HD1 LEU 16 40.978 66.982 13.618
108 HD13 LEU 16 3HD1 LEU 16 41.890 66.682 15.136
109 HD21 LEU 16 1HD2 LEU 16 44.064 66.737 11.498
110 HD22 LEU 16 2HD2 LEU 16 42.565 67.752 11.432
111 HD23 LEU 16 3HD2 LEU 16 43.979 68.288 12.409
112 H GLN 17 HN GLN 17 46.312 63.779 14.373
113 HA GLN 17 HA GLN 17 44.882 61.330 13.640
114 HB2 GLN 17 HB1 GLN 17 45.824 61.052 11.523
115 HB3 GLN 17 HB2 GLN 17 45.328 62.795 11.515
116 HG2 GLN 17 HG1 GLN 17 47.723 63.539 11.940
117 HG3 GLN 17 HG2 GLN 17 48.201 61.806 12.139
118 HE21 GLN 17 1HE2 GLN 17 47.039 60.479 10.085
119 HE22 GLN 17 2HE2 GLN 17 47.305 61.254 8.552
120 H MDH 18 HN MDH 18 46.624 59.303 13.260
121 HB MDH 18 HB1 MDH 18 48.587 57.174 14.690
122 HG1 MDH 18 HG1 MDH 18 49.349 59.200 12.522
123 HG2 MDH 18 HG2 MDH 18 50.515 58.846 13.848
124 HG3 MDH 18 HG3 MDH 18 50.075 57.559 12.667
125 H CYS 19 HN CYS 19 45.641 58.000 15.446
126 HA CYS 19 HA CYS 19 45.602 58.830 18.280
127 HB2 CYS 19 HB1 CYS 19 43.687 57.401 16.473
128 HB3 CYS 19 HB2 CYS 19 43.429 57.888 18.196
129 H PHE 20 HN PHE 20 47.674 56.476 17.036
130 HA PHE 20 HA PHE 20 47.266 54.992 19.403
131 HB2 PHE 20 HB1 PHE 20 45.664 54.067 17.478
132 HB3 PHE 20 HB2 PHE 20 47.157 53.531 16.613
133 HD1 PHE 20 HD1 PHE 20 44.857 53.038 19.376
134 HD2 PHE 20 HD2 PHE 20 48.559 51.732 17.728
135 HE1 PHE 20 HE1 PHE 20 44.898 51.123 20.944
136 HE2 PHE 20 HE2 PHE 20 48.716 50.000 19.349
137 HZ PHE 20 HZ PHE 20 46.871 49.678 21.014
138 H ILE 21 HN ILE 21 49.311 53.849 19.818
139 HA ILE 21 HA ILE 21 51.201 54.375 17.654
140 HB ILE 21 HB ILE 21 51.806 54.488 20.611
141 HG12 ILE 21 1HG1 ILE 21 51.931 56.814 18.634
142 HG13 ILE 21 2HG1 ILE 21 50.581 56.423 19.771
143 HG21 ILE 21 1HG2 ILE 21 53.685 53.641 18.989
144 HG22 ILE 21 2HG2 ILE 21 53.425 55.052 17.908
145 HG23 ILE 21 3HG2 ILE 21 54.156 55.289 19.538
146 HD11 ILE 21 HD1 ILE 21 53.450 56.948 20.615
147 HD12 ILE 21 HD2 ILE 21 52.052 58.079 20.738
148 HD13 ILE 21 HD3 ILE 21 52.056 56.541 21.674
149 H GLN 22 HN GLN 22 52.221 50.914 18.290
150 HA GLN 22 HA GLN 22 52.282 53.270 16.493
151 HB2 GLN 22 HB1 GLN 22 54.390 52.299 17.284
152 HB3 GLN 22 HB2 GLN 22 54.120 50.906 16.168
153 HG2 GLN 22 HG1 GLN 22 54.228 52.634 14.261
154 HG3 GLN 22 HG2 GLN 22 54.240 53.887 15.564
155 HE21 GLN 22 1HE2 GLN 22 56.083 54.877 15.311
156 HE22 GLN 22 2HE2 GLN 22 57.619 54.147 15.675
157 H THR 23 HN THR 23 50.695 50.345 16.756
158 HA THR 23 HA THR 23 50.652 49.689 14.160
159 HB THR 23 HB THR 23 50.131 48.260 16.023
160 HG21 THR 23 1HG2 THR 23 48.580 49.154 17.403
161 HG22 THR 23 2HG2 THR 23 47.617 49.937 16.098
162 HG23 THR 23 3HG2 THR 23 47.529 48.153 16.324
163 H ALA 24 HN ALA 24 49.541 52.385 15.043
164 HA ALA 24 HA ALA 24 47.404 52.815 13.042
165 HB1 ALA 24 HB1 ALA 24 48.012 55.316 13.338
166 HB2 ALA 24 HB2 ALA 24 47.471 54.598 14.894
167 HB3 ALA 24 HB3 ALA 24 49.226 54.777 14.557
168 H THR 25 HN THR 25 50.931 52.615 12.874
169 HA THR 25 HA THR 25 49.782 51.392 10.742
170 HB THR 25 HB THR 25 52.676 51.962 10.257
171 HG21 THR 25 1HG2 THR 25 51.554 54.319 10.284
172 HG22 THR 25 2HG2 THR 25 51.704 53.766 8.579
173 HG23 THR 25 3HG2 THR 25 50.129 53.601 9.452
174 H CYS 26 HN CYS 26 49.274 49.644 11.567
175 HA CYS 26 HA CYS 26 51.445 47.732 11.529
176 HB2 CYS 26 HB1 CYS 26 50.558 46.240 13.105
177 HB3 CYS 26 HB2 CYS 26 51.116 47.775 13.892
178 H ASN 27 HN ASN 27 50.630 45.808 10.670
179 HA ASN 27 HA ASN 27 49.912 45.060 8.649
180 HB2 ASN 27 HB1 ASN 27 47.519 46.947 8.744
181 HB3 ASN 27 HB2 ASN 27 48.096 46.018 7.300
182 HD21 ASN 27 1HD2 ASN 27 45.679 45.325 8.376
183 HD22 ASN 27 2HD2 ASN 27 45.822 43.855 9.284
184 H CYS 28 HN CYS 28 50.478 48.651 9.280
185 HA CYS 28 HA CYS 28 52.067 48.857 7.009
186 HB2 CYS 28 HB1 CYS 28 52.877 50.069 9.642
187 HB3 CYS 28 HB2 CYS 28 53.285 50.444 7.926
188 H HIS 29 HN HIS 29 52.673 47.476 10.216
189 HA HIS 29 HA HIS 29 54.352 45.504 9.111
190 HB2 HIS 29 HB1 HIS 29 55.984 47.594 9.567
191 HB3 HIS 29 HB2 HIS 29 55.360 47.484 11.266
192 HD2 HIS 29 HD2 HIS 29 57.655 46.072 12.711
193 HE1 HIS 29 HE1 HIS 29 58.802 43.845 9.341
194 HE2 HIS 29 HE2 HIS 29 59.273 44.364 11.626
195 H ILE 30 HN ILE 30 55.377 44.960 11.800
196 HA ILE 30 HA ILE 30 53.704 43.449 13.055
197 HB ILE 30 HB ILE 30 55.924 44.698 14.438
198 HG12 ILE 30 1HG1 ILE 30 56.717 43.429 12.494
199 HG13 ILE 30 2HG1 ILE 30 56.845 42.370 13.951
200 HG21 ILE 30 1HG2 ILE 30 54.170 42.281 15.115
201 HG22 ILE 30 2HG2 ILE 30 55.706 42.685 15.959
202 HG23 ILE 30 3HG2 ILE 30 54.309 43.822 16.031
203 HD11 ILE 30 HD1 ILE 30 54.725 41.225 13.210
204 HD12 ILE 30 HD2 ILE 30 54.892 42.146 11.677
205 HD13 ILE 30 HD3 ILE 30 56.141 40.936 12.146
206 H DHA 31 HN DHA 31 52.040 43.602 14.136
207 HB1 DHA 31 HB1 DHA 31 49.472 43.859 14.215
208 HB2 DHA 31 HB2 DHA 31 48.978 44.612 15.882
209 H LYS 32 HN LYS 32 52.583 46.933 16.123
210 HA LYS 32 HA LYS 32 51.784 46.577 18.920
211 HB2 LYS 32 HB1 LYS 32 54.242 47.194 19.595
212 HB3 LYS 32 HB2 LYS 32 53.945 45.545 18.902
213 HG2 LYS 32 HG1 LYS 32 55.935 46.300 17.751
214 HG3 LYS 32 HG2 LYS 32 54.503 46.303 16.650
215 HD2 LYS 32 HD1 LYS 32 55.977 47.962 16.111
216 HD3 LYS 32 HD2 LYS 32 54.491 48.795 16.721
217 HE2 LYS 32 HE1 LYS 32 57.190 48.318 18.271
218 HE3 LYS 32 HE2 LYS 32 56.699 49.832 17.408
219 HZ1 LYS 32 HZ1 LYS 32 55.861 50.521 19.068
220 HZ2 LYS 32 HZ2 LYS 32 54.584 49.412 18.997
221 HZ3 LYS 32 HZ3 LYS 32 55.914 49.105 20.004
Start of MODEL 13
1 H1 TRP 1 H1 TRP 1 35.467 59.082 13.846
2 H2 TRP 1 H2 TRP 1 35.559 60.475 14.822
3 H3 TRP 1 H3 TRP 1 36.965 59.602 14.459
4 HA TRP 1 HA TRP 1 35.578 59.249 16.725
5 HB2 TRP 1 HB1 TRP 1 34.144 57.293 14.942
6 HB3 TRP 1 HB2 TRP 1 34.223 57.272 16.749
7 HD1 TRP 1 HD1 TRP 1 32.714 59.090 13.739
8 HE1 TRP 1 HE1 TRP 1 30.895 60.654 14.629
9 HE3 TRP 1 HE3 TRP 1 33.685 58.538 18.690
10 HZ2 TRP 1 HZ2 TRP 1 30.248 61.773 17.370
11 HZ3 TRP 1 HZ3 TRP 1 32.386 59.804 20.358
12 HH2 TRP 1 HH2 TRP 1 30.684 61.408 19.576
13 H LYS 2 HN LYS 2 36.698 57.698 17.911
14 HA LYS 2 HA LYS 2 39.206 56.697 17.011
15 HB2 LYS 2 HB1 LYS 2 37.537 56.523 19.644
16 HB3 LYS 2 HB2 LYS 2 39.143 55.728 19.425
17 HG2 LYS 2 HG1 LYS 2 40.214 57.853 19.070
18 HG3 LYS 2 HG2 LYS 2 38.643 58.715 19.303
19 HD2 LYS 2 HD1 LYS 2 38.298 57.494 21.343
20 HD3 LYS 2 HD2 LYS 2 39.914 56.681 21.317
21 HE2 LYS 2 HE1 LYS 2 40.825 59.359 21.347
22 HE3 LYS 2 HE2 LYS 2 39.087 59.613 21.800
23 HZ1 LYS 2 HZ1 LYS 2 40.580 59.164 23.600
24 HZ2 LYS 2 HZ2 LYS 2 39.054 58.427 23.526
25 HZ3 LYS 2 HZ3 LYS 2 40.460 57.507 23.280
26 H SER 3 HN SER 3 36.252 54.897 17.745
27 HA SER 3 HA SER 3 35.713 53.142 17.387
28 HB2 SER 3 HB1 SER 3 35.008 53.631 15.431
29 HB3 SER 3 HB2 SER 3 35.745 52.018 15.109
30 H GLN 4 HN GLN 4 37.141 52.515 19.040
31 HA GLN 4 HA GLN 4 38.020 50.936 20.257
32 HB2 GLN 4 HB1 GLN 4 38.573 49.262 17.896
33 HB3 GLN 4 HB2 GLN 4 38.527 48.734 19.626
34 HG2 GLN 4 HG1 GLN 4 35.985 49.738 18.265
35 HG3 GLN 4 HG2 GLN 4 36.522 48.011 18.264
36 HE21 GLN 4 1HE2 GLN 4 36.811 46.924 20.351
37 HE22 GLN 4 2HE2 GLN 4 36.103 47.597 21.778
38 H DHA 5 HN DHA 5 39.177 53.096 19.756
39 HB1 DHA 5 HB1 DHA 5 41.528 53.437 21.367
40 HB2 DHA 5 HB2 DHA 5 42.656 54.408 20.204
41 H PHE 6 HN PHE 6 41.189 51.803 16.809
42 HA PHE 6 HA PHE 6 41.539 54.156 15.277
43 HB2 PHE 6 HB1 PHE 6 43.683 52.637 14.271
44 HB3 PHE 6 HB2 PHE 6 43.814 53.878 15.579
45 HD1 PHE 6 HD1 PHE 6 43.456 50.184 15.033
46 HD2 PHE 6 HD2 PHE 6 44.402 53.429 17.736
47 HE1 PHE 6 HE1 PHE 6 43.676 48.627 16.965
48 HE2 PHE 6 HE2 PHE 6 44.539 51.904 19.486
49 HZ PHE 6 HZ PHE 6 44.168 49.474 19.166
50 H CYS 7 HN CYS 7 39.419 53.541 14.768
51 HA CYS 7 HA CYS 7 39.489 51.483 12.699
52 HB2 CYS 7 HB1 CYS 7 36.967 52.210 12.417
53 HB3 CYS 7 HB2 CYS 7 37.462 51.343 13.923
54 H THR 8 HN THR 8 39.726 54.822 13.026
55 HA THR 8 HA THR 8 41.359 54.306 10.776
56 HB THR 8 HB THR 8 41.065 57.115 10.458
57 HG21 THR 8 1HG2 THR 8 39.493 54.789 8.982
58 HG22 THR 8 2HG2 THR 8 39.859 56.422 8.297
59 HG23 THR 8 3HG2 THR 8 41.203 55.292 8.696
60 HA PRO 9 HA PRO 9 43.682 55.390 14.135
61 HB2 PRO 9 HB1 PRO 9 46.219 55.269 13.223
62 HB3 PRO 9 HB2 PRO 9 45.173 53.797 13.108
63 HG2 PRO 9 HG1 PRO 9 45.392 55.839 10.759
64 HG3 PRO 9 HG2 PRO 9 45.809 54.074 10.733
65 HD2 PRO 9 HD1 PRO 9 43.336 55.158 10.119
66 HD3 PRO 9 HD2 PRO 9 43.427 53.628 11.074
67 H GLY 10 HN GLY 10 43.240 57.769 11.726
68 HA2 GLY 10 HA1 GLY 10 43.425 59.636 13.871
69 HA3 GLY 10 HA2 GLY 10 44.415 59.986 12.379
70 H CYS 11 HN CYS 11 41.263 58.595 13.463
71 HA CYS 11 HA CYS 11 40.445 58.894 10.841
72 HB2 CYS 11 HB1 CYS 11 39.528 57.249 12.928
73 HB3 CYS 11 HB2 CYS 11 38.083 58.254 12.527
74 H VAL 12 HN VAL 12 38.187 61.944 12.164
75 HA VAL 12 HA VAL 12 40.711 61.695 13.143
76 HB VAL 12 HB VAL 12 39.953 63.470 14.678
77 HG11 VAL 12 1HG1 VAL 12 39.538 63.591 11.555
78 HG12 VAL 12 2HG1 VAL 12 39.929 65.054 12.535
79 HG13 VAL 12 3HG1 VAL 12 41.102 63.693 12.438
80 HG21 VAL 12 1HG2 VAL 12 38.004 64.697 14.379
81 HG22 VAL 12 2HG2 VAL 12 37.377 63.664 13.050
82 HG23 VAL 12 3HG2 VAL 12 37.461 63.013 14.723
83 H THR 13 HN THR 13 41.544 61.287 15.038
84 HA THR 13 HA THR 13 39.827 59.684 16.995
85 HB THR 13 HB THR 13 41.582 58.629 17.816
86 HG21 THR 13 1HG2 THR 13 40.206 57.883 15.682
87 HG22 THR 13 2HG2 THR 13 41.630 58.494 14.773
88 HG23 THR 13 3HG2 THR 13 41.834 57.192 15.991
89 H GLY 14 HN GLY 14 41.038 62.738 16.314
90 HA2 GLY 14 HA1 GLY 14 40.427 64.525 17.271
91 HA3 GLY 14 HA2 GLY 14 39.658 63.582 18.628
92 H VAL 15 HN VAL 15 42.666 62.739 18.083
93 HA VAL 15 HA VAL 15 43.787 64.039 20.219
94 HB VAL 15 HB VAL 15 44.147 61.805 19.602
95 HG11 VAL 15 1HG1 VAL 15 45.932 61.048 18.110
96 HG12 VAL 15 2HG1 VAL 15 44.588 61.924 17.288
97 HG13 VAL 15 3HG1 VAL 15 46.165 62.743 17.544
98 HG21 VAL 15 1HG2 VAL 15 46.901 63.296 19.847
99 HG22 VAL 15 2HG2 VAL 15 45.732 63.249 21.219
100 HG23 VAL 15 3HG2 VAL 15 46.413 61.718 20.562
101 H LEU 16 HN LEU 16 45.266 66.124 17.054
102 HA LEU 16 HA LEU 16 42.809 65.073 16.710
103 HB2 LEU 16 HB1 LEU 16 43.574 67.214 16.032
104 HB3 LEU 16 HB2 LEU 16 44.427 66.488 14.621
105 HG LEU 16 HG LEU 16 42.351 65.658 13.611
106 HD11 LEU 16 1HD1 LEU 16 40.124 66.547 14.459
107 HD12 LEU 16 2HD1 LEU 16 40.887 65.183 15.359
108 HD13 LEU 16 3HD1 LEU 16 41.014 66.866 15.990
109 HD21 LEU 16 1HD2 LEU 16 42.623 68.564 14.264
110 HD22 LEU 16 2HD2 LEU 16 43.550 67.604 13.037
111 HD23 LEU 16 3HD2 LEU 16 41.786 67.908 12.799
112 H GLN 17 HN GLN 17 45.941 64.045 15.486
113 HA GLN 17 HA GLN 17 44.774 61.749 14.109
114 HB2 GLN 17 HB1 GLN 17 46.708 63.781 12.795
115 HB3 GLN 17 HB2 GLN 17 46.134 62.209 12.098
116 HG2 GLN 17 HG1 GLN 17 43.889 62.933 12.411
117 HG3 GLN 17 HG2 GLN 17 44.357 64.664 12.612
118 HE21 GLN 17 1HE2 GLN 17 43.606 61.913 10.474
119 HE22 GLN 17 2HE2 GLN 17 44.157 62.548 8.961
120 H MDH 18 HN MDH 18 46.453 59.992 13.641
121 HB MDH 18 HB1 MDH 18 49.059 57.786 14.884
122 HG1 MDH 18 HG1 MDH 18 48.997 59.393 12.463
123 HG2 MDH 18 HG2 MDH 18 49.928 60.239 13.753
124 HG3 MDH 18 HG3 MDH 18 50.487 58.640 13.130
125 H CYS 19 HN CYS 19 45.642 58.429 15.746
126 HA CYS 19 HA CYS 19 45.588 59.117 18.535
127 HB2 CYS 19 HB1 CYS 19 43.747 57.240 17.025
128 HB3 CYS 19 HB2 CYS 19 43.479 58.141 18.562
129 H PHE 20 HN PHE 20 47.083 56.557 16.900
130 HA PHE 20 HA PHE 20 48.104 55.986 19.355
131 HB2 PHE 20 HB1 PHE 20 46.123 54.328 19.414
132 HB3 PHE 20 HB2 PHE 20 47.086 53.428 18.181
133 HD1 PHE 20 HD1 PHE 20 47.180 54.978 21.525
134 HD2 PHE 20 HD2 PHE 20 49.116 52.226 18.904
135 HE1 PHE 20 HE1 PHE 20 48.462 54.135 23.414
136 HE2 PHE 20 HE2 PHE 20 50.574 51.598 20.624
137 HZ PHE 20 HZ PHE 20 50.288 52.513 22.926
138 H ILE 21 HN ILE 21 50.340 55.041 19.032
139 HA ILE 21 HA ILE 21 51.278 54.589 16.302
140 HB ILE 21 HB ILE 21 52.367 56.467 18.448
141 HG12 ILE 21 1HG1 ILE 21 51.457 57.123 15.635
142 HG13 ILE 21 2HG1 ILE 21 50.519 57.571 17.118
143 HG21 ILE 21 1HG2 ILE 21 53.506 55.675 15.736
144 HG22 ILE 21 2HG2 ILE 21 54.077 56.976 16.846
145 HG23 ILE 21 3HG2 ILE 21 54.249 55.245 17.328
146 HD11 ILE 21 HD1 ILE 21 52.383 58.963 17.904
147 HD12 ILE 21 HD2 ILE 21 53.179 58.877 16.293
148 HD13 ILE 21 HD3 ILE 21 51.526 59.584 16.441
149 H GLN 22 HN GLN 22 52.348 51.862 18.162
150 HA GLN 22 HA GLN 22 52.882 53.336 15.746
151 HB2 GLN 22 HB1 GLN 22 54.660 51.687 16.952
152 HB3 GLN 22 HB2 GLN 22 53.577 50.368 16.351
153 HG2 GLN 22 HG1 GLN 22 53.993 50.569 14.187
154 HG3 GLN 22 HG2 GLN 22 54.882 52.130 14.320
155 HE21 GLN 22 1HE2 GLN 22 56.930 51.824 13.725
156 HE22 GLN 22 2HE2 GLN 22 57.932 50.860 14.756
157 H THR 23 HN THR 23 50.369 51.273 16.770
158 HA THR 23 HA THR 23 50.115 50.230 14.274
159 HB THR 23 HB THR 23 49.244 49.192 16.204
160 HG21 THR 23 1HG2 THR 23 48.270 50.977 17.349
161 HG22 THR 23 2HG2 THR 23 46.865 51.159 16.242
162 HG23 THR 23 3HG2 THR 23 47.073 49.636 17.166
163 H ALA 24 HN ALA 24 50.006 53.274 14.773
164 HA ALA 24 HA ALA 24 48.033 53.934 12.782
165 HB1 ALA 24 HB1 ALA 24 49.497 56.136 12.488
166 HB2 ALA 24 HB2 ALA 24 48.700 55.802 14.064
167 HB3 ALA 24 HB3 ALA 24 50.455 55.470 13.858
168 H THR 25 HN THR 25 51.346 52.693 12.753
169 HA THR 25 HA THR 25 49.874 51.568 10.625
170 HB THR 25 HB THR 25 52.790 51.278 10.149
171 HG21 THR 25 1HG2 THR 25 52.387 53.855 9.947
172 HG22 THR 25 2HG2 THR 25 52.652 52.998 8.385
173 HG23 THR 25 3HG2 THR 25 50.982 53.432 8.893
174 H CYS 26 HN CYS 26 48.901 50.189 11.453
175 HA CYS 26 HA CYS 26 50.255 47.738 11.883
176 HB2 CYS 26 HB1 CYS 26 48.455 46.993 13.409
177 HB3 CYS 26 HB2 CYS 26 49.721 47.911 14.323
178 H ASN 27 HN ASN 27 48.822 46.128 11.004
179 HA ASN 27 HA ASN 27 47.846 45.558 9.079
180 HB2 ASN 27 HB1 ASN 27 45.960 46.950 9.221
181 HB3 ASN 27 HB2 ASN 27 46.894 48.277 8.421
182 HD21 ASN 27 1HD2 ASN 27 45.248 45.119 7.988
183 HD22 ASN 27 2HD2 ASN 27 45.401 45.124 6.256
184 H CYS 28 HN CYS 28 49.723 48.456 9.025
185 HA CYS 28 HA CYS 28 51.735 47.791 7.141
186 HB2 CYS 28 HB1 CYS 28 52.231 49.171 9.853
187 HB3 CYS 28 HB2 CYS 28 53.100 49.566 8.317
188 H HIS 29 HN HIS 29 51.104 47.102 10.483
189 HA HIS 29 HA HIS 29 53.235 45.287 10.702
190 HB2 HIS 29 HB1 HIS 29 54.212 47.621 10.982
191 HB3 HIS 29 HB2 HIS 29 53.221 47.754 12.497
192 HD2 HIS 29 HD2 HIS 29 54.952 47.203 14.474
193 HE1 HIS 29 HE1 HIS 29 57.143 44.149 12.364
194 HE2 HIS 29 HE2 HIS 29 57.181 45.694 14.351
195 H ILE 30 HN ILE 30 53.332 44.790 12.929
196 HA ILE 30 HA ILE 30 51.255 43.649 14.307
197 HB ILE 30 HB ILE 30 53.717 44.577 15.575
198 HG12 ILE 30 1HG1 ILE 30 54.526 43.524 13.644
199 HG13 ILE 30 2HG1 ILE 30 54.758 42.460 15.092
200 HG21 ILE 30 1HG2 ILE 30 53.499 42.654 16.950
201 HG22 ILE 30 2HG2 ILE 30 51.930 43.527 17.104
202 HG23 ILE 30 3HG2 ILE 30 52.041 42.046 16.078
203 HD11 ILE 30 HD1 ILE 30 54.085 41.134 13.002
204 HD12 ILE 30 HD2 ILE 30 53.004 40.931 14.438
205 HD13 ILE 30 HD3 ILE 30 52.475 41.944 13.049
206 H DHA 31 HN DHA 31 50.106 44.253 16.003
207 HB1 DHA 31 HB1 DHA 31 47.675 45.542 16.126
208 HB2 DHA 31 HB2 DHA 31 47.619 46.847 17.505
209 H LYS 32 HN LYS 32 51.433 48.172 16.854
210 HA LYS 32 HA LYS 32 52.298 47.831 19.611
211 HB2 LYS 32 HB1 LYS 32 53.788 48.541 17.133
212 HB3 LYS 32 HB2 LYS 32 54.380 48.530 18.838
213 HG2 LYS 32 HG1 LYS 32 54.082 45.977 18.851
214 HG3 LYS 32 HG2 LYS 32 53.406 46.130 17.182
215 HD2 LYS 32 HD1 LYS 32 55.704 45.638 16.990
216 HD3 LYS 32 HD2 LYS 32 55.379 47.350 16.501
217 HE2 LYS 32 HE1 LYS 32 56.240 47.917 18.928
218 HE3 LYS 32 HE2 LYS 32 57.088 46.325 18.831
219 HZ1 LYS 32 HZ1 LYS 32 58.247 46.948 16.901
220 HZ2 LYS 32 HZ2 LYS 32 57.330 48.359 16.668
221 HZ3 LYS 32 HZ3 LYS 32 58.395 48.241 17.985
Start of MODEL 14
1 H1 TRP 1 H1 TRP 1 35.348 59.925 14.648
2 H2 TRP 1 H2 TRP 1 37.024 59.639 14.587
3 H3 TRP 1 H3 TRP 1 35.946 58.553 13.844
4 HA TRP 1 HA TRP 1 35.943 59.217 16.708
5 HB2 TRP 1 HB1 TRP 1 34.473 57.060 15.000
6 HB3 TRP 1 HB2 TRP 1 34.537 57.044 16.807
7 HD1 TRP 1 HD1 TRP 1 32.269 58.214 14.087
8 HE1 TRP 1 HE1 TRP 1 30.528 59.758 15.033
9 HE3 TRP 1 HE3 TRP 1 34.618 59.234 18.328
10 HZ2 TRP 1 HZ2 TRP 1 30.128 61.246 17.525
11 HZ3 TRP 1 HZ3 TRP 1 33.454 60.748 20.044
12 HH2 TRP 1 HH2 TRP 1 31.426 61.877 19.401
13 H LYS 2 HN LYS 2 36.675 57.317 18.093
14 HA LYS 2 HA LYS 2 39.241 56.738 17.121
15 HB2 LYS 2 HB1 LYS 2 37.971 55.707 19.623
16 HB3 LYS 2 HB2 LYS 2 39.708 55.529 19.137
17 HG2 LYS 2 HG1 LYS 2 39.900 58.100 19.321
18 HG3 LYS 2 HG2 LYS 2 38.102 58.080 19.534
19 HD2 LYS 2 HD1 LYS 2 38.365 56.819 21.772
20 HD3 LYS 2 HD2 LYS 2 40.138 56.770 21.424
21 HE2 LYS 2 HE1 LYS 2 40.320 59.160 21.592
22 HE3 LYS 2 HE2 LYS 2 38.537 59.360 21.830
23 HZ1 LYS 2 HZ1 LYS 2 38.812 58.066 23.886
24 HZ2 LYS 2 HZ2 LYS 2 40.447 57.735 23.544
25 HZ3 LYS 2 HZ3 LYS 2 39.948 59.331 23.849
26 H SER 3 HN SER 3 36.307 54.718 17.733
27 HA SER 3 HA SER 3 35.790 52.701 17.227
28 HB2 SER 3 HB1 SER 3 35.364 53.668 15.384
29 HB3 SER 3 HB2 SER 3 35.801 51.940 15.059
30 H GLN 4 HN GLN 4 37.177 52.370 19.088
31 HA GLN 4 HA GLN 4 38.284 51.096 20.446
32 HB2 GLN 4 HB1 GLN 4 38.984 49.273 18.144
33 HB3 GLN 4 HB2 GLN 4 39.239 49.081 19.924
34 HG2 GLN 4 HG1 GLN 4 36.382 49.551 18.777
35 HG3 GLN 4 HG2 GLN 4 37.093 47.894 18.881
36 HE21 GLN 4 1HE2 GLN 4 37.642 47.254 21.216
37 HE22 GLN 4 2HE2 GLN 4 36.668 47.979 22.461
38 H DHA 5 HN DHA 5 39.459 53.132 18.499
39 HB1 DHA 5 HB1 DHA 5 41.390 54.444 21.033
40 HB2 DHA 5 HB2 DHA 5 42.902 54.729 19.928
41 H PHE 6 HN PHE 6 40.894 51.861 16.951
42 HA PHE 6 HA PHE 6 42.241 53.445 15.109
43 HB2 PHE 6 HB1 PHE 6 43.976 51.224 14.503
44 HB3 PHE 6 HB2 PHE 6 44.440 52.526 15.678
45 HD1 PHE 6 HD1 PHE 6 42.907 49.206 15.347
46 HD2 PHE 6 HD2 PHE 6 44.635 51.971 18.086
47 HE1 PHE 6 HE1 PHE 6 42.349 47.787 17.200
48 HE2 PHE 6 HE2 PHE 6 44.168 50.654 19.846
49 HZ PHE 6 HZ PHE 6 42.878 48.385 19.473
50 H CYS 7 HN CYS 7 39.994 53.285 14.625
51 HA CYS 7 HA CYS 7 39.676 50.998 12.816
52 HB2 CYS 7 HB1 CYS 7 37.321 51.662 12.599
53 HB3 CYS 7 HB2 CYS 7 37.777 51.293 14.302
54 H THR 8 HN THR 8 40.093 54.274 13.308
55 HA THR 8 HA THR 8 41.929 53.947 11.412
56 HB THR 8 HB THR 8 41.870 56.720 10.868
57 HG21 THR 8 1HG2 THR 8 42.503 54.850 9.317
58 HG22 THR 8 2HG2 THR 8 40.790 54.284 9.279
59 HG23 THR 8 3HG2 THR 8 41.201 55.933 8.692
60 HA PRO 9 HA PRO 9 43.650 55.235 15.231
61 HB2 PRO 9 HB1 PRO 9 46.297 55.654 14.239
62 HB3 PRO 9 HB2 PRO 9 45.715 54.116 14.993
63 HG2 PRO 9 HG1 PRO 9 46.440 54.105 12.447
64 HG3 PRO 9 HG2 PRO 9 45.193 52.987 13.135
65 HD2 PRO 9 HD1 PRO 9 44.578 55.435 11.454
66 HD3 PRO 9 HD2 PRO 9 43.889 53.758 11.473
67 H GLY 10 HN GLY 10 43.344 57.235 12.641
68 HA2 GLY 10 HA1 GLY 10 43.652 59.498 14.380
69 HA3 GLY 10 HA2 GLY 10 44.597 59.530 12.831
70 H CYS 11 HN CYS 11 41.368 58.218 13.651
71 HA CYS 11 HA CYS 11 40.904 58.617 11.145
72 HB2 CYS 11 HB1 CYS 11 39.982 56.833 12.962
73 HB3 CYS 11 HB2 CYS 11 38.416 57.647 12.596
74 H VAL 12 HN VAL 12 38.093 61.140 12.323
75 HA VAL 12 HA VAL 12 40.900 61.349 13.199
76 HB VAL 12 HB VAL 12 40.256 63.337 14.423
77 HG11 VAL 12 1HG1 VAL 12 39.206 63.581 11.550
78 HG12 VAL 12 2HG1 VAL 12 40.130 64.726 12.580
79 HG13 VAL 12 3HG1 VAL 12 40.946 63.274 11.900
80 HG21 VAL 12 1HG2 VAL 12 37.991 64.399 13.949
81 HG22 VAL 12 2HG2 VAL 12 37.462 62.916 13.059
82 HG23 VAL 12 3HG2 VAL 12 37.783 62.849 14.837
83 H THR 13 HN THR 13 41.587 60.984 15.327
84 HA THR 13 HA THR 13 39.663 60.282 17.297
85 HB THR 13 HB THR 13 41.373 59.346 18.474
86 HG21 THR 13 1HG2 THR 13 41.504 57.323 17.092
87 HG22 THR 13 2HG2 THR 13 40.335 58.323 16.159
88 HG23 THR 13 3HG2 THR 13 42.079 58.332 15.710
89 H GLY 14 HN GLY 14 40.981 62.850 15.836
90 HA2 GLY 14 HA1 GLY 14 40.306 64.978 16.461
91 HA3 GLY 14 HA2 GLY 14 39.767 64.297 18.061
92 H VAL 15 HN VAL 15 42.622 63.389 17.581
93 HA VAL 15 HA VAL 15 43.944 65.381 19.011
94 HB VAL 15 HB VAL 15 44.137 62.807 18.965
95 HG11 VAL 15 1HG1 VAL 15 45.320 62.326 16.969
96 HG12 VAL 15 2HG1 VAL 15 46.669 63.409 17.465
97 HG13 VAL 15 3HG1 VAL 15 46.326 61.919 18.405
98 HG21 VAL 15 1HG2 VAL 15 46.320 63.111 20.404
99 HG22 VAL 15 2HG2 VAL 15 46.295 64.855 19.945
100 HG23 VAL 15 3HG2 VAL 15 44.904 64.137 20.830
101 H LEU 16 HN LEU 16 45.532 66.110 15.586
102 HA LEU 16 HA LEU 16 42.773 65.397 15.581
103 HB2 LEU 16 HB1 LEU 16 43.767 67.210 14.133
104 HB3 LEU 16 HB2 LEU 16 44.696 65.901 13.299
105 HG LEU 16 HG LEU 16 42.554 65.096 12.624
106 HD11 LEU 16 1HD1 LEU 16 40.710 67.139 12.853
107 HD12 LEU 16 2HD1 LEU 16 40.902 66.105 14.320
108 HD13 LEU 16 3HD1 LEU 16 41.757 67.684 14.219
109 HD21 LEU 16 1HD2 LEU 16 43.347 68.001 11.965
110 HD22 LEU 16 2HD2 LEU 16 44.037 66.458 11.351
111 HD23 LEU 16 3HD2 LEU 16 42.397 66.977 10.826
112 H GLN 17 HN GLN 17 45.824 64.119 14.828
113 HA GLN 17 HA GLN 17 44.936 61.416 14.474
114 HB2 GLN 17 HB1 GLN 17 45.896 61.179 12.279
115 HB3 GLN 17 HB2 GLN 17 44.635 62.477 12.230
116 HG2 GLN 17 HG1 GLN 17 46.051 64.257 12.121
117 HG3 GLN 17 HG2 GLN 17 47.559 63.316 12.448
118 HE21 GLN 17 1HE2 GLN 17 47.600 61.312 10.533
119 HE22 GLN 17 2HE2 GLN 17 47.215 61.758 8.905
120 H MDH 18 HN MDH 18 46.934 59.841 14.185
121 HB MDH 18 HB1 MDH 18 48.959 57.966 16.111
122 HG1 MDH 18 HG1 MDH 18 47.770 58.657 13.362
123 HG2 MDH 18 HG2 MDH 18 48.570 57.136 13.902
124 HG3 MDH 18 HG3 MDH 18 47.018 57.661 14.659
125 H CYS 19 HN CYS 19 45.676 59.248 16.397
126 HA CYS 19 HA CYS 19 45.686 59.775 19.081
127 HB2 CYS 19 HB1 CYS 19 43.848 57.708 17.664
128 HB3 CYS 19 HB2 CYS 19 43.366 58.679 19.113
129 H PHE 20 HN PHE 20 46.604 57.052 17.187
130 HA PHE 20 HA PHE 20 47.714 55.838 19.595
131 HB2 PHE 20 HB1 PHE 20 45.459 54.952 18.121
132 HB3 PHE 20 HB2 PHE 20 46.743 53.861 17.471
133 HD1 PHE 20 HD1 PHE 20 44.778 54.691 20.605
134 HD2 PHE 20 HD2 PHE 20 47.993 52.567 18.872
135 HE1 PHE 20 HE1 PHE 20 45.089 53.553 22.680
136 HE2 PHE 20 HE2 PHE 20 48.367 51.387 20.912
137 HZ PHE 20 HZ PHE 20 47.063 52.111 23.008
138 H ILE 21 HN ILE 21 49.569 54.933 19.503
139 HA ILE 21 HA ILE 21 50.813 54.562 16.893
140 HB ILE 21 HB ILE 21 52.876 55.552 17.804
141 HG12 ILE 21 1HG1 ILE 21 51.230 56.601 20.232
142 HG13 ILE 21 2HG1 ILE 21 52.266 55.124 20.296
143 HG21 ILE 21 1HG2 ILE 21 52.377 57.799 17.437
144 HG22 ILE 21 2HG2 ILE 21 51.256 56.728 16.518
145 HG23 ILE 21 3HG2 ILE 21 50.663 57.636 17.948
146 HD11 ILE 21 HD1 ILE 21 53.230 58.012 19.697
147 HD12 ILE 21 HD2 ILE 21 53.398 57.090 21.231
148 HD13 ILE 21 HD3 ILE 21 54.225 56.515 19.736
149 H GLN 22 HN GLN 22 52.470 51.831 18.216
150 HA GLN 22 HA GLN 22 52.459 53.723 16.142
151 HB2 GLN 22 HB1 GLN 22 54.686 52.730 17.428
152 HB3 GLN 22 HB2 GLN 22 54.366 51.522 16.108
153 HG2 GLN 22 HG1 GLN 22 56.003 53.069 15.203
154 HG3 GLN 22 HG2 GLN 22 54.421 53.242 14.343
155 HE21 GLN 22 1HE2 GLN 22 56.530 54.733 16.935
156 HE22 GLN 22 2HE2 GLN 22 55.621 56.204 16.955
157 H THR 23 HN THR 23 50.736 51.230 16.844
158 HA THR 23 HA THR 23 50.250 50.534 14.290
159 HB THR 23 HB THR 23 49.262 49.380 16.295
160 HG21 THR 23 1HG2 THR 23 47.124 51.529 16.197
161 HG22 THR 23 2HG2 THR 23 47.305 50.228 17.432
162 HG23 THR 23 3HG2 THR 23 48.571 51.493 17.270
163 H ALA 24 HN ALA 24 50.374 53.380 15.129
164 HA ALA 24 HA ALA 24 48.762 54.750 13.210
165 HB1 ALA 24 HB1 ALA 24 51.073 56.282 13.312
166 HB2 ALA 24 HB2 ALA 24 50.254 55.957 14.889
167 HB3 ALA 24 HB3 ALA 24 51.639 54.928 14.360
168 H THR 25 HN THR 25 51.694 52.643 12.993
169 HA THR 25 HA THR 25 50.066 52.012 10.866
170 HB THR 25 HB THR 25 52.893 51.252 10.166
171 HG21 THR 25 1HG2 THR 25 52.842 53.730 9.998
172 HG22 THR 25 2HG2 THR 25 52.670 52.963 8.381
173 HG23 THR 25 3HG2 THR 25 51.206 53.567 9.238
174 H CYS 26 HN CYS 26 49.033 50.437 11.792
175 HA CYS 26 HA CYS 26 50.269 47.946 11.911
176 HB2 CYS 26 HB1 CYS 26 48.592 47.188 13.650
177 HB3 CYS 26 HB2 CYS 26 49.860 48.280 14.337
178 H ASN 27 HN ASN 27 48.523 46.397 11.393
179 HA ASN 27 HA ASN 27 47.627 45.713 9.588
180 HB2 ASN 27 HB1 ASN 27 45.728 47.295 10.239
181 HB3 ASN 27 HB2 ASN 27 46.419 48.523 9.096
182 HD21 ASN 27 1HD2 ASN 27 45.836 48.242 6.922
183 HD22 ASN 27 2HD2 ASN 27 45.302 46.727 6.267
184 H CYS 28 HN CYS 28 49.450 48.594 9.436
185 HA CYS 28 HA CYS 28 51.003 48.191 7.097
186 HB2 CYS 28 HB1 CYS 28 52.024 49.049 9.923
187 HB3 CYS 28 HB2 CYS 28 52.769 49.182 8.280
188 H HIS 29 HN HIS 29 51.179 47.153 10.321
189 HA HIS 29 HA HIS 29 52.498 44.649 9.850
190 HB2 HIS 29 HB1 HIS 29 54.300 46.652 9.934
191 HB3 HIS 29 HB2 HIS 29 53.853 46.835 11.682
192 HD2 HIS 29 HD2 HIS 29 55.794 45.489 13.017
193 HE1 HIS 29 HE1 HIS 29 56.547 42.439 10.252
194 HE2 HIS 29 HE2 HIS 29 57.068 43.310 12.513
195 H ILE 30 HN ILE 30 53.136 44.003 12.248
196 HA ILE 30 HA ILE 30 51.201 43.426 13.946
197 HB ILE 30 HB ILE 30 54.018 44.279 14.623
198 HG12 ILE 30 1HG1 ILE 30 53.931 42.591 12.903
199 HG13 ILE 30 2HG1 ILE 30 54.747 42.029 14.408
200 HG21 ILE 30 1HG2 ILE 30 52.193 42.598 16.326
201 HG22 ILE 30 2HG2 ILE 30 53.966 42.849 16.529
202 HG23 ILE 30 3HG2 ILE 30 52.825 44.239 16.684
203 HD11 ILE 30 HD1 ILE 30 53.267 40.205 13.474
204 HD12 ILE 30 HD2 ILE 30 53.115 40.749 15.187
205 HD13 ILE 30 HD3 ILE 30 51.830 41.163 13.987
206 H DHA 31 HN DHA 31 49.963 44.196 15.249
207 HB1 DHA 31 HB1 DHA 31 47.536 45.259 16.056
208 HB2 DHA 31 HB2 DHA 31 48.014 46.220 17.630
209 H LYS 32 HN LYS 32 51.674 47.689 16.256
210 HA LYS 32 HA LYS 32 52.373 47.473 19.088
211 HB2 LYS 32 HB1 LYS 32 54.582 48.456 18.167
212 HB3 LYS 32 HB2 LYS 32 54.393 46.666 18.322
213 HG2 LYS 32 HG1 LYS 32 55.401 47.087 16.297
214 HG3 LYS 32 HG2 LYS 32 53.696 46.671 15.870
215 HD2 LYS 32 HD1 LYS 32 53.184 49.072 15.602
216 HD3 LYS 32 HD2 LYS 32 54.920 49.372 15.973
217 HE2 LYS 32 HE1 LYS 32 55.656 48.050 13.997
218 HE3 LYS 32 HE2 LYS 32 53.964 47.740 13.415
219 HZ1 LYS 32 HZ1 LYS 32 55.123 49.529 12.383
220 HZ2 LYS 32 HZ2 LYS 32 53.648 50.005 13.077
221 HZ3 LYS 32 HZ3 LYS 32 55.105 50.353 13.868
Start of MODEL 15
1 H1 TRP 1 H1 TRP 1 35.868 59.564 13.872
2 H2 TRP 1 H2 TRP 1 34.937 60.743 14.678
3 H3 TRP 1 H3 TRP 1 36.542 60.476 15.143
4 HA TRP 1 HA TRP 1 35.127 59.727 16.769
5 HB2 TRP 1 HB1 TRP 1 34.266 57.864 14.430
6 HB3 TRP 1 HB2 TRP 1 33.687 57.717 16.146
7 HD1 TRP 1 HD1 TRP 1 32.477 59.105 13.097
8 HE1 TRP 1 HE1 TRP 1 30.956 61.181 13.324
9 HE3 TRP 1 HE3 TRP 1 33.059 59.863 18.052
10 HZ2 TRP 1 HZ2 TRP 1 29.737 62.464 15.512
11 HZ3 TRP 1 HZ3 TRP 1 31.597 61.399 19.176
12 HH2 TRP 1 HH2 TRP 1 29.858 62.714 17.862
13 H LYS 2 HN LYS 2 36.026 58.597 18.187
14 HA LYS 2 HA LYS 2 38.658 57.778 17.493
15 HB2 LYS 2 HB1 LYS 2 37.327 57.234 20.236
16 HB3 LYS 2 HB2 LYS 2 39.068 57.185 19.765
17 HG2 LYS 2 HG1 LYS 2 38.908 59.596 19.206
18 HG3 LYS 2 HG2 LYS 2 37.233 59.630 19.882
19 HD2 LYS 2 HD1 LYS 2 38.745 60.466 21.374
20 HD3 LYS 2 HD2 LYS 2 38.206 58.928 22.145
21 HE2 LYS 2 HE1 LYS 2 40.404 57.831 21.192
22 HE3 LYS 2 HE2 LYS 2 40.952 59.515 20.838
23 HZ1 LYS 2 HZ1 LYS 2 40.513 58.614 23.586
24 HZ2 LYS 2 HZ2 LYS 2 41.889 59.071 22.704
25 HZ3 LYS 2 HZ3 LYS 2 40.622 60.183 22.951
26 H SER 3 HN SER 3 35.948 55.661 18.100
27 HA SER 3 HA SER 3 35.901 53.693 19.015
28 HB2 SER 3 HB1 SER 3 35.518 52.182 17.867
29 HB3 SER 3 HB2 SER 3 36.925 52.273 16.716
30 H GLN 4 HN GLN 4 37.246 54.430 20.677
31 HA GLN 4 HA GLN 4 38.578 53.870 22.355
32 HB2 GLN 4 HB1 GLN 4 39.001 51.186 20.944
33 HB3 GLN 4 HB2 GLN 4 39.444 51.554 22.662
34 HG2 GLN 4 HG1 GLN 4 36.644 51.462 21.383
35 HG3 GLN 4 HG2 GLN 4 37.432 50.178 22.381
36 HE21 GLN 4 1HE2 GLN 4 34.927 51.621 22.971
37 HE22 GLN 4 2HE2 GLN 4 35.163 51.973 24.644
38 H DHA 5 HN DHA 5 39.652 54.781 19.698
39 HB1 DHA 5 HB1 DHA 5 42.634 55.340 21.504
40 HB2 DHA 5 HB2 DHA 5 43.684 55.623 19.947
41 H PHE 6 HN PHE 6 40.175 53.305 18.250
42 HA PHE 6 HA PHE 6 41.158 53.787 15.763
43 HB2 PHE 6 HB1 PHE 6 41.336 50.996 15.310
44 HB3 PHE 6 HB2 PHE 6 42.751 52.029 15.754
45 HD1 PHE 6 HD1 PHE 6 39.988 49.943 17.381
46 HD2 PHE 6 HD2 PHE 6 43.873 51.743 17.712
47 HE1 PHE 6 HE1 PHE 6 39.926 49.624 19.581
48 HE2 PHE 6 HE2 PHE 6 43.937 51.022 20.106
49 HZ PHE 6 HZ PHE 6 41.754 50.285 21.091
50 H CYS 7 HN CYS 7 39.073 54.590 15.529
51 HA CYS 7 HA CYS 7 37.251 52.362 14.827
52 HB2 CYS 7 HB1 CYS 7 36.884 55.221 15.357
53 HB3 CYS 7 HB2 CYS 7 35.950 54.654 13.921
54 H THR 8 HN THR 8 39.095 55.056 13.880
55 HA THR 8 HA THR 8 40.224 53.523 11.900
56 HB THR 8 HB THR 8 40.529 55.984 10.453
57 HG21 THR 8 1HG2 THR 8 39.900 53.542 9.677
58 HG22 THR 8 2HG2 THR 8 38.215 54.146 9.896
59 HG23 THR 8 3HG2 THR 8 39.346 55.028 8.809
60 HA PRO 9 HA PRO 9 42.979 54.883 14.832
61 HB2 PRO 9 HB1 PRO 9 45.448 54.449 13.645
62 HB3 PRO 9 HB2 PRO 9 44.255 53.145 14.016
63 HG2 PRO 9 HG1 PRO 9 44.548 54.585 11.262
64 HG3 PRO 9 HG2 PRO 9 44.724 52.832 11.676
65 HD2 PRO 9 HD1 PRO 9 42.464 53.815 10.812
66 HD3 PRO 9 HD2 PRO 9 42.320 52.725 12.253
67 H GLY 10 HN GLY 10 43.154 56.715 11.863
68 HA2 GLY 10 HA1 GLY 10 43.917 59.106 13.459
69 HA3 GLY 10 HA2 GLY 10 44.311 58.771 11.707
70 H CYS 11 HN CYS 11 41.256 58.149 13.217
71 HA CYS 11 HA CYS 11 40.374 58.176 10.708
72 HB2 CYS 11 HB1 CYS 11 39.110 57.395 13.094
73 HB3 CYS 11 HB2 CYS 11 37.918 58.503 12.311
74 H VAL 12 HN VAL 12 38.594 61.751 11.430
75 HA VAL 12 HA VAL 12 41.048 61.310 12.613
76 HB VAL 12 HB VAL 12 40.804 63.241 13.707
77 HG11 VAL 12 1HG1 VAL 12 40.208 63.214 10.701
78 HG12 VAL 12 2HG1 VAL 12 40.620 64.731 11.586
79 HG13 VAL 12 3HG1 VAL 12 41.749 63.321 11.628
80 HG21 VAL 12 1HG2 VAL 12 38.120 63.178 13.896
81 HG22 VAL 12 2HG2 VAL 12 38.850 64.756 13.443
82 HG23 VAL 12 3HG2 VAL 12 38.121 63.698 12.171
83 H THR 13 HN THR 13 41.518 60.789 14.663
84 HA THR 13 HA THR 13 39.324 60.082 16.573
85 HB THR 13 HB THR 13 40.907 59.181 18.047
86 HG21 THR 13 1HG2 THR 13 41.789 57.953 15.265
87 HG22 THR 13 2HG2 THR 13 41.503 57.136 16.840
88 HG23 THR 13 3HG2 THR 13 40.115 57.827 15.914
89 H GLY 14 HN GLY 14 40.287 62.562 15.487
90 HA2 GLY 14 HA1 GLY 14 40.015 64.641 16.178
91 HA3 GLY 14 HA2 GLY 14 39.515 64.045 17.819
92 H VAL 15 HN VAL 15 42.498 62.715 17.136
93 HA VAL 15 HA VAL 15 43.941 64.471 18.722
94 HB VAL 15 HB VAL 15 44.602 61.957 17.179
95 HG11 VAL 15 1HG1 VAL 15 46.957 63.824 17.945
96 HG12 VAL 15 2HG1 VAL 15 46.935 62.069 17.552
97 HG13 VAL 15 3HG1 VAL 15 46.324 63.271 16.355
98 HG21 VAL 15 1HG2 VAL 15 43.803 61.657 19.348
99 HG22 VAL 15 2HG2 VAL 15 45.579 61.372 19.216
100 HG23 VAL 15 3HG2 VAL 15 44.956 62.806 20.128
101 H LEU 16 HN LEU 16 44.921 65.688 15.041
102 HA LEU 16 HA LEU 16 42.340 64.394 14.970
103 HB2 LEU 16 HB1 LEU 16 44.302 65.982 13.305
104 HB3 LEU 16 HB2 LEU 16 43.041 65.029 12.431
105 HG LEU 16 HG LEU 16 41.278 66.241 13.374
106 HD11 LEU 16 1HD1 LEU 16 43.160 67.899 15.263
107 HD12 LEU 16 2HD1 LEU 16 41.403 68.057 14.916
108 HD13 LEU 16 3HD1 LEU 16 42.040 66.565 15.707
109 HD21 LEU 16 1HD2 LEU 16 41.886 68.643 12.724
110 HD22 LEU 16 2HD2 LEU 16 43.581 68.012 12.664
111 HD23 LEU 16 3HD2 LEU 16 42.353 67.428 11.482
112 H GLN 17 HN GLN 17 45.697 63.530 14.207
113 HA GLN 17 HA GLN 17 44.747 61.047 13.264
114 HB2 GLN 17 HB1 GLN 17 45.924 61.132 11.187
115 HB3 GLN 17 HB2 GLN 17 44.806 62.532 11.404
116 HG2 GLN 17 HG1 GLN 17 46.733 64.018 11.987
117 HG3 GLN 17 HG2 GLN 17 47.836 62.597 11.850
118 HE21 GLN 17 1HE2 GLN 17 48.493 61.693 9.722
119 HE22 GLN 17 2HE2 GLN 17 48.173 62.709 8.365
120 H MDH 18 HN MDH 18 46.285 59.182 13.576
121 HB MDH 18 HB1 MDH 18 49.181 57.616 15.411
122 HG1 MDH 18 HG1 MDH 18 48.911 56.498 13.317
123 HG2 MDH 18 HG2 MDH 18 47.231 57.135 13.426
124 HG3 MDH 18 HG3 MDH 18 48.501 58.095 12.583
125 H CYS 19 HN CYS 19 45.263 58.618 15.933
126 HA CYS 19 HA CYS 19 45.489 59.388 18.658
127 HB2 CYS 19 HB1 CYS 19 43.439 57.543 17.176
128 HB3 CYS 19 HB2 CYS 19 43.336 58.365 18.785
129 H PHE 20 HN PHE 20 46.500 56.455 17.120
130 HA PHE 20 HA PHE 20 47.226 55.425 19.730
131 HB2 PHE 20 HB1 PHE 20 45.076 54.276 19.078
132 HB3 PHE 20 HB2 PHE 20 45.949 53.638 17.637
133 HD1 PHE 20 HD1 PHE 20 46.448 53.983 21.377
134 HD2 PHE 20 HD2 PHE 20 46.458 51.418 18.026
135 HE1 PHE 20 HE1 PHE 20 46.909 52.073 22.867
136 HE2 PHE 20 HE2 PHE 20 46.925 49.505 19.586
137 HZ PHE 20 HZ PHE 20 47.330 49.818 21.876
138 H ILE 21 HN ILE 21 48.728 53.559 19.603
139 HA ILE 21 HA ILE 21 50.377 53.707 17.180
140 HB ILE 21 HB ILE 21 52.451 53.852 18.890
141 HG12 ILE 21 1HG1 ILE 21 50.474 55.460 20.409
142 HG13 ILE 21 2HG1 ILE 21 50.924 53.749 20.783
143 HG21 ILE 21 1HG2 ILE 21 50.902 56.328 18.052
144 HG22 ILE 21 2HG2 ILE 21 52.622 56.180 18.542
145 HG23 ILE 21 3HG2 ILE 21 52.078 55.506 16.961
146 HD11 ILE 21 HD1 ILE 21 52.385 55.321 22.089
147 HD12 ILE 21 HD2 ILE 21 53.410 54.551 20.821
148 HD13 ILE 21 HD3 ILE 21 52.898 56.271 20.653
149 H GLN 22 HN GLN 22 51.873 50.700 18.402
150 HA GLN 22 HA GLN 22 52.220 52.833 16.406
151 HB2 GLN 22 HB1 GLN 22 54.243 51.359 17.339
152 HB3 GLN 22 HB2 GLN 22 53.509 50.053 16.318
153 HG2 GLN 22 HG1 GLN 22 54.156 51.171 14.225
154 HG3 GLN 22 HG2 GLN 22 54.213 52.713 15.169
155 HE21 GLN 22 1HE2 GLN 22 56.331 52.198 13.625
156 HE22 GLN 22 2HE2 GLN 22 57.705 51.551 14.453
157 H THR 23 HN THR 23 50.476 50.018 16.767
158 HA THR 23 HA THR 23 50.239 49.673 13.990
159 HB THR 23 HB THR 23 50.177 47.757 15.501
160 HG21 THR 23 1HG2 THR 23 47.300 48.484 16.150
161 HG22 THR 23 2HG2 THR 23 48.233 47.028 16.688
162 HG23 THR 23 3HG2 THR 23 48.694 48.670 17.273
163 H ALA 24 HN ALA 24 49.077 52.146 15.621
164 HA ALA 24 HA ALA 24 46.774 52.620 13.905
165 HB1 ALA 24 HB1 ALA 24 49.051 54.469 14.847
166 HB2 ALA 24 HB2 ALA 24 47.482 55.109 14.235
167 HB3 ALA 24 HB3 ALA 24 47.524 54.109 15.736
168 H THR 25 HN THR 25 50.349 52.333 13.219
169 HA THR 25 HA THR 25 49.169 51.405 10.734
170 HB THR 25 HB THR 25 51.900 52.489 10.573
171 HG21 THR 25 1HG2 THR 25 50.410 54.483 11.036
172 HG22 THR 25 2HG2 THR 25 50.825 54.447 9.285
173 HG23 THR 25 3HG2 THR 25 49.233 53.813 9.846
174 H CYS 26 HN CYS 26 49.010 49.442 11.266
175 HA CYS 26 HA CYS 26 51.323 47.976 11.062
176 HB2 CYS 26 HB1 CYS 26 50.382 46.160 12.677
177 HB3 CYS 26 HB2 CYS 26 50.997 47.658 13.484
178 H ASN 27 HN ASN 27 50.711 46.191 9.811
179 HA ASN 27 HA ASN 27 49.867 45.653 7.847
180 HB2 ASN 27 HB1 ASN 27 47.481 46.193 8.570
181 HB3 ASN 27 HB2 ASN 27 47.833 47.885 8.031
182 HD21 ASN 27 1HD2 ASN 27 46.851 48.172 6.173
183 HD22 ASN 27 2HD2 ASN 27 46.496 46.993 4.946
184 H CYS 28 HN CYS 28 50.408 49.019 8.959
185 HA CYS 28 HA CYS 28 52.141 49.593 6.768
186 HB2 CYS 28 HB1 CYS 28 52.519 50.665 9.605
187 HB3 CYS 28 HB2 CYS 28 53.013 51.291 7.986
188 H HIS 29 HN HIS 29 52.178 47.511 9.309
189 HA HIS 29 HA HIS 29 54.900 47.055 9.496
190 HB2 HIS 29 HB1 HIS 29 55.170 49.331 10.394
191 HB3 HIS 29 HB2 HIS 29 54.069 48.888 11.767
192 HD2 HIS 29 HD2 HIS 29 56.018 48.612 13.831
193 HE1 HIS 29 HE1 HIS 29 58.902 46.531 11.558
194 HE2 HIS 29 HE2 HIS 29 58.177 47.443 13.953
195 H ILE 30 HN ILE 30 55.539 46.147 11.747
196 HA ILE 30 HA ILE 30 53.787 43.965 12.436
197 HB ILE 30 HB ILE 30 56.236 44.942 13.981
198 HG12 ILE 30 1HG1 ILE 30 56.764 44.484 11.561
199 HG13 ILE 30 2HG1 ILE 30 57.527 43.269 12.664
200 HG21 ILE 30 1HG2 ILE 30 56.372 42.639 14.717
201 HG22 ILE 30 2HG2 ILE 30 54.841 43.355 15.310
202 HG23 ILE 30 3HG2 ILE 30 54.820 42.247 13.889
203 HD11 ILE 30 HD1 ILE 30 55.120 43.091 10.879
204 HD12 ILE 30 HD2 ILE 30 56.695 42.234 10.749
205 HD13 ILE 30 HD3 ILE 30 55.466 41.681 11.937
206 H DHA 31 HN DHA 31 52.446 43.687 13.886
207 HB1 DHA 31 HB1 DHA 31 49.983 43.652 14.029
208 HB2 DHA 31 HB2 DHA 31 49.451 44.112 15.787
209 H LYS 32 HN LYS 32 52.670 46.805 16.218
210 HA LYS 32 HA LYS 32 52.285 46.268 19.037
211 HB2 LYS 32 HB1 LYS 32 54.894 46.415 19.299
212 HB3 LYS 32 HB2 LYS 32 54.159 44.827 18.859
213 HG2 LYS 32 HG1 LYS 32 56.178 45.254 17.743
214 HG3 LYS 32 HG2 LYS 32 54.794 45.098 16.581
215 HD2 LYS 32 HD1 LYS 32 56.092 46.771 15.675
216 HD3 LYS 32 HD2 LYS 32 54.912 47.729 16.672
217 HE2 LYS 32 HE1 LYS 32 57.705 47.092 17.810
218 HE3 LYS 32 HE2 LYS 32 57.394 48.587 16.823
219 HZ1 LYS 32 HZ1 LYS 32 56.553 47.734 19.414
220 HZ2 LYS 32 HZ2 LYS 32 57.089 49.255 18.873
221 HZ3 LYS 32 HZ3 LYS 32 55.469 48.790 18.650