NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
2388 |
1bus   |
53 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name
Start of MODEL 1
Raw file had 237 H/Q atoms
1 H PCA 1 HN PCA 1 0.710 -16.690 13.113
2 HA PCA 1 HA PCA 1 2.298 -14.669 12.557
3 QB PCA 1 QB PCA 1 3.908 -15.955 11.088
4 QG PCA 1 QG PCA 1 4.534 -17.289 12.912
5 H GLY 2 HN GLY 2 2.829 -14.366 9.840
6 QA GLY 2 QA GLY 2 0.903 -14.764 8.280
7 H ALA 3 HN ALA 3 2.716 -12.858 7.233
8 HA ALA 3 HA ALA 3 2.110 -10.360 8.246
9 QB ALA 3 QB ALA 3 3.406 -10.519 6.143
10 H GLN 4 HN GLN 4 0.266 -9.185 8.226
11 HA GLN 4 HA GLN 4 -1.755 -10.022 6.341
12 QB GLN 4 QB GLN 4 -2.442 -8.464 8.450
13 QG GLN 4 QG GLN 4 -2.524 -10.849 8.942
14 H VAL 5 HN VAL 5 0.021 -8.628 4.846
15 HA VAL 5 HA VAL 5 -1.043 -5.887 4.822
16 HB VAL 5 HB VAL 5 1.252 -6.701 3.125
17 QG1 VAL 5 QG1 VAL 5 0.731 -4.317 3.543
18 QG2 VAL 5 QG2 VAL 5 2.075 -6.382 5.443
19 QQG VAL 5 QQG VAL 5 1.530 -5.351 4.397
20 H ASP 6 HN ASP 6 -2.798 -7.895 3.957
21 HA ASP 6 HA ASP 6 -2.576 -8.076 1.127
22 QB ASP 6 QB ASP 6 -4.778 -8.899 2.568
23 H CYS 7 HN CYS 7 -4.260 -6.920 -0.335
24 HA CYS 7 HA CYS 7 -5.602 -4.792 1.088
25 QB CYS 7 QB CYS 7 -4.212 -3.379 -0.192
26 H ALA 8 HN ALA 8 -6.201 -7.271 -0.668
27 HA ALA 8 HA ALA 8 -7.874 -6.083 -2.746
28 QB ALA 8 QB ALA 8 -7.396 -8.505 -2.787
29 H GLU 9 HN GLU 9 -8.073 -8.078 0.255
30 HA GLU 9 HA GLU 9 -10.845 -8.305 0.260
31 QB GLU 9 QB GLU 9 -9.469 -8.900 2.478
32 QG GLU 9 QG GLU 9 -10.113 -10.792 1.173
33 H PHE 10 HN PHE 10 -9.056 -5.479 0.890
34 HA PHE 10 HA PHE 10 -11.252 -4.549 2.624
35 HZ PHE 10 HZ PHE 10 -4.893 -1.108 1.760
36 QB PHE 10 QB PHE 10 -9.305 -4.142 3.815
37 QB PHE 10 QB PHE 10 -9.305 -4.142 3.815
38 H LYS 11 HN LYS 11 -10.763 -4.517 -0.391
39 HA LYS 11 HA LYS 11 -10.099 -1.899 -1.070
40 QB LYS 11 QB LYS 11 -11.432 -3.286 -2.897
41 QG LYS 11 QG LYS 11 -9.084 -3.972 -2.360
42 QD LYS 11 QD LYS 11 -9.862 -4.810 -4.514
43 QE LYS 11 QE LYS 11 -8.327 -3.571 -5.617
44 H ASP 12 HN ASP 12 -13.359 -3.424 -1.446
45 HA ASP 12 HA ASP 12 -14.576 -0.851 -1.076
46 QB ASP 12 QB ASP 12 -16.195 -2.799 -1.716
47 HA PRO 13 HA PRO 13 -16.682 -0.464 -0.883
48 QB PRO 13 QB PRO 13 -18.835 -0.592 0.060
49 QG PRO 13 QG PRO 13 -18.868 -1.355 2.271
50 QD PRO 13 QD PRO 13 -16.696 -1.960 2.759
51 H LYS 14 HN LYS 14 -15.736 1.507 -1.104
52 HA LYS 14 HA LYS 14 -14.840 3.440 -0.585
53 QB LYS 14 QB LYS 14 -16.606 4.740 -0.014
54 QG LYS 14 QG LYS 14 -18.320 3.060 0.389
55 QD LYS 14 QD LYS 14 -18.801 4.995 1.777
56 QE LYS 14 QE LYS 14 -18.205 3.125 3.294
57 H VAL 15 HN VAL 15 -13.257 1.978 0.541
58 HA VAL 15 HA VAL 15 -13.114 2.519 3.460
59 HB VAL 15 HB VAL 15 -12.185 0.325 1.727
60 QG1 VAL 15 QG1 VAL 15 -11.204 0.267 3.958
61 QG2 VAL 15 QG2 VAL 15 -14.190 -0.030 3.148
62 QQG VAL 15 QQG VAL 15 -12.678 0.018 3.524
63 OH TYR 16 OH TYR 16 -8.596 -1.038 -3.526
64 H TYR 16 HN TYR 16 -10.573 1.495 1.501
65 HA TYR 16 HA TYR 16 -8.733 3.312 2.764
66 QB TYR 16 QB TYR 16 -7.929 1.242 2.043
67 QB TYR 16 QB TYR 16 -7.929 1.242 2.043
68 H CYS 17 HN CYS 17 -9.271 5.491 1.680
69 HA CYS 17 HA CYS 17 -7.250 5.783 -0.366
70 QB CYS 17 QB CYS 17 -9.710 5.977 -1.351
71 H THR 18 HN THR 18 -7.354 8.122 -1.320
72 HA THR 18 HA THR 18 -6.784 10.141 -0.973
73 HB THR 18 HB THR 18 -8.783 11.387 0.394
74 QG2 THR 18 QG2 THR 18 -8.947 11.197 -2.092
75 NH1 ARG 19 NH1 ARG 19 -4.908 13.928 2.066
76 NH2 ARG 19 NH2 ARG 19 -6.666 14.382 0.640
77 H ARG 19 HN ARG 19 -8.363 10.023 2.283
78 HA ARG 19 HA ARG 19 -6.110 11.421 3.230
79 QB ARG 19 QB ARG 19 -8.196 10.694 4.896
80 QG ARG 19 QG ARG 19 -7.772 12.941 5.163
81 QD ARG 19 QD ARG 19 -8.597 13.123 2.863
82 H GLU 20 HN GLU 20 -4.326 10.286 3.019
83 HA GLU 20 HA GLU 20 -3.890 7.644 3.419
84 QB GLU 20 QB GLU 20 -1.777 9.186 3.859
85 QG GLU 20 QG GLU 20 -2.149 8.812 1.493
86 H SER 21 HN SER 21 -3.708 6.279 5.191
87 HA SER 21 HA SER 21 -3.418 7.643 7.740
88 QB SER 21 QB SER 21 -4.544 5.075 7.528
89 H ASN 22 HN ASN 22 -1.360 7.034 6.120
90 HA ASN 22 HA ASN 22 0.360 5.940 8.053
91 QB ASN 22 QB ASN 22 0.350 3.779 7.166
92 HA PRO 23 HA PRO 23 2.772 7.393 4.346
93 QB PRO 23 QB PRO 23 4.570 8.498 5.708
94 QG PRO 23 QG PRO 23 3.244 9.337 7.448
95 QD PRO 23 QD PRO 23 2.725 7.028 8.332
96 H HIS 24 HN HIS 24 2.936 5.226 3.629
97 HA HIS 24 HA HIS 24 5.139 3.852 5.003
98 HD1 HIS 24 HD1 HIS 24 2.390 2.970 1.917
99 HD2 HIS 24 HD2 HIS 24 0.772 2.075 5.662
100 HE1 HIS 24 HE1 HIS 24 0.091 1.939 1.501
101 QB HIS 24 QB HIS 24 3.874 2.067 4.779
102 H CYS 25 HN CYS 25 6.778 2.846 3.919
103 HA CYS 25 HA CYS 25 6.867 3.848 1.089
104 QB CYS 25 QB CYS 25 8.795 4.401 2.755
105 H GLY 26 HN GLY 26 6.997 2.600 -0.511
106 QA GLY 26 QA GLY 26 7.372 0.532 -1.243
107 H SER 27 HN SER 27 8.681 -1.242 -2.299
108 HA SER 27 HA SER 27 10.752 -1.872 -0.703
109 QB SER 27 QB SER 27 10.815 -3.278 -2.557
110 H ASN 28 HN ASN 28 11.521 -0.323 -3.867
111 HA ASN 28 HA ASN 28 13.294 1.450 -2.464
112 QB ASN 28 QB ASN 28 14.977 0.490 -3.968
113 H GLY 29 HN GLY 29 10.630 1.465 -3.664
114 QA GLY 29 QA GLY 29 10.609 2.402 -6.035
115 H GLU 30 HN GLU 30 8.874 2.939 -3.523
116 HA GLU 30 HA GLU 30 8.761 5.792 -4.029
117 QB GLU 30 QB GLU 30 6.633 5.495 -4.898
118 QG GLU 30 QG GLU 30 7.011 3.017 -5.125
119 H THR 31 HN THR 31 7.583 7.169 -2.681
120 HA THR 31 HA THR 31 6.873 5.939 -0.111
121 HB THR 31 HB THR 31 7.311 8.907 -0.525
122 QG2 THR 31 QG2 THR 31 7.676 7.966 1.734
123 OH TYR 32 OH TYR 32 4.474 1.344 -4.013
124 H TYR 32 HN TYR 32 4.819 5.701 0.323
125 HA TYR 32 HA TYR 32 3.064 7.861 -0.384
126 QB TYR 32 QB TYR 32 2.135 6.457 -1.967
127 QB TYR 32 QB TYR 32 2.135 6.457 -1.967
128 H GLY 33 HN GLY 33 0.814 5.534 0.022
129 QA GLY 33 QA GLY 33 1.155 5.006 2.535
130 H ASN 34 HN ASN 34 -1.178 6.398 0.786
131 HA ASN 34 HA ASN 34 -3.066 5.612 2.644
132 QB ASN 34 QB ASN 34 -4.301 6.915 1.200
133 H LYS 35 HN LYS 35 -4.145 3.748 2.602
134 HA LYS 35 HA LYS 35 -3.160 1.423 1.605
135 QB LYS 35 QB LYS 35 -5.646 1.055 1.919
136 QG LYS 35 QG LYS 35 -4.849 1.445 4.159
137 QD LYS 35 QD LYS 35 -6.683 3.040 3.567
138 QE LYS 35 QE LYS 35 -6.482 2.603 5.975
139 H CYS 36 HN CYS 36 -5.563 3.524 -0.086
140 HA CYS 36 HA CYS 36 -5.786 1.621 -2.173
141 QB CYS 36 QB CYS 36 -7.170 3.191 -2.878
142 H ALA 37 HN ALA 37 -3.782 4.652 -1.858
143 HA ALA 37 HA ALA 37 -2.638 4.578 -4.357
144 QB ALA 37 QB ALA 37 -1.355 5.810 -2.666
145 H PHE 38 HN PHE 38 -1.387 2.886 -1.388
146 HA PHE 38 HA PHE 38 0.692 1.707 -2.857
147 HZ PHE 38 HZ PHE 38 5.024 -1.513 -0.914
148 QB PHE 38 QB PHE 38 -0.134 1.069 -0.344
149 QB PHE 38 QB PHE 38 -0.134 1.069 -0.344
150 H CYS 39 HN CYS 39 -2.524 0.161 -2.052
151 HA CYS 39 HA CYS 39 -1.696 -2.228 -3.282
152 QB CYS 39 QB CYS 39 -4.223 -1.760 -2.555
153 H LYS 40 HN LYS 40 -3.427 0.650 -4.590
154 HA LYS 40 HA LYS 40 -3.923 -0.276 -7.121
155 QB LYS 40 QB LYS 40 -4.418 1.975 -6.230
156 QG LYS 40 QG LYS 40 -3.147 2.398 -8.343
157 QD LYS 40 QD LYS 40 -4.479 4.308 -7.557
158 QE LYS 40 QE LYS 40 -2.112 4.850 -8.120
159 H ALA 41 HN ALA 41 -0.938 1.366 -5.861
160 HA ALA 41 HA ALA 41 0.225 1.410 -8.469
161 QB ALA 41 QB ALA 41 1.532 2.316 -6.595
162 H VAL 42 HN VAL 42 0.993 -0.559 -5.496
163 HA VAL 42 HA VAL 42 2.831 -2.201 -6.574
164 HB VAL 42 HB VAL 42 0.731 -2.560 -4.456
165 QG1 VAL 42 QG1 VAL 42 1.852 -4.706 -4.819
166 QG2 VAL 42 QG2 VAL 42 3.059 -2.007 -3.846
167 QQG VAL 42 QQG VAL 42 2.447 -3.356 -4.320
168 H MET 43 HN MET 43 -0.726 -2.382 -7.042
169 HA MET 43 HA MET 43 -0.747 -4.945 -8.038
170 QB MET 43 QB MET 43 -2.545 -2.932 -8.681
171 QG MET 43 QG MET 43 -3.798 -4.711 -7.913
172 QE MET 43 QE MET 43 -3.951 -5.524 -11.192
173 H LYS 44 HN LYS 44 -0.716 -1.814 -9.890
174 HA LYS 44 HA LYS 44 0.389 -3.144 -12.217
175 QB LYS 44 QB LYS 44 -0.380 -0.544 -12.188
176 QG LYS 44 QG LYS 44 -1.679 -2.258 -13.359
177 QD LYS 44 QD LYS 44 -0.700 -1.584 -15.339
178 QE LYS 44 QE LYS 44 -0.525 0.688 -15.155
179 H SER 45 HN SER 45 2.259 -3.412 -10.161
180 HA SER 45 HA SER 45 4.020 -1.131 -10.278
181 QB SER 45 QB SER 45 4.315 -2.257 -8.292
182 H GLY 46 HN GLY 46 3.864 -4.684 -11.002
183 QA GLY 46 QA GLY 46 5.633 -4.778 -12.861
184 H GLY 47 HN GLY 47 5.629 -5.646 -9.847
185 QA GLY 47 QA GLY 47 5.506 -8.122 -9.725
186 H LYS 48 HN LYS 48 7.384 -5.729 -8.894
187 HA LYS 48 HA LYS 48 9.308 -7.492 -7.614
188 QB LYS 48 QB LYS 48 10.506 -7.069 -9.506
189 QG LYS 48 QG LYS 48 11.028 -4.756 -9.460
190 QD LYS 48 QD LYS 48 9.533 -4.982 -11.411
191 QE LYS 48 QE LYS 48 9.453 -2.710 -10.605
192 H ILE 49 HN ILE 49 7.213 -5.342 -6.932
193 HA ILE 49 HA ILE 49 9.083 -3.483 -5.599
194 HB ILE 49 HB ILE 49 6.256 -2.979 -6.523
195 QG1 ILE 49 QG1 ILE 49 8.265 -2.564 -7.978
196 QG2 ILE 49 QG2 ILE 49 7.052 -1.265 -5.021
197 QD1 ILE 49 QD1 ILE 49 7.543 -0.357 -7.710
198 H ASN 50 HN ASN 50 9.473 -4.904 -3.794
199 HA ASN 50 HA ASN 50 7.200 -5.952 -2.418
200 QB ASN 50 QB ASN 50 9.851 -6.195 -1.650
201 H LEU 51 HN LEU 51 8.018 -5.389 0.348
202 HA LEU 51 HA LEU 51 8.187 -2.460 0.309
203 HG LEU 51 HG LEU 51 5.469 -4.877 1.862
204 QB LEU 51 QB LEU 51 6.152 -2.478 1.002
205 QD1 LEU 51 QD1 LEU 51 6.205 -4.016 4.009
206 QD2 LEU 51 QD2 LEU 51 3.809 -3.140 2.252
207 QQD LEU 51 QQD LEU 51 5.127 -3.420 3.045
208 H LYS 52 HN LYS 52 8.870 -1.295 1.910
209 HA LYS 52 HA LYS 52 9.872 -2.542 4.321
210 QB LYS 52 QB LYS 52 11.781 -1.053 3.254
211 QG LYS 52 QG LYS 52 12.219 -2.950 1.996
212 QD LYS 52 QD LYS 52 11.932 -3.936 4.266
213 QE LYS 52 QE LYS 52 12.156 -5.585 2.411
214 H HIS 53 HN HIS 53 7.432 -1.524 3.801
215 HA HIS 53 HA HIS 53 7.049 0.983 3.602
216 HD1 HIS 53 HD1 HIS 53 6.507 -0.058 1.636
217 HD2 HIS 53 HD2 HIS 53 2.632 -0.365 2.874
218 HE1 HIS 53 HE1 HIS 53 5.426 2.154 0.826
219 QB HIS 53 QB HIS 53 5.235 -0.703 4.815
220 NH1 ARG 54 NH1 ARG 54 14.168 1.802 7.479
221 NH2 ARG 54 NH2 ARG 54 12.100 1.295 6.566
222 H ARG 54 HN ARG 54 8.560 0.016 6.356
223 HA ARG 54 HA ARG 54 7.054 1.859 7.934
224 QB ARG 54 QB ARG 54 8.463 0.777 9.493
225 QG ARG 54 QG ARG 54 10.238 -0.108 8.080
226 QD ARG 54 QD ARG 54 11.076 1.408 9.890
227 H GLY 55 HN GLY 55 7.125 3.989 7.980
228 QA GLY 55 QA GLY 55 8.666 5.789 7.896
229 H LYS 56 HN LYS 56 10.941 6.147 6.593
230 HA LYS 56 HA LYS 56 10.174 6.422 3.871
231 QB LYS 56 QB LYS 56 12.778 6.482 4.310
232 QG LYS 56 QG LYS 56 11.841 8.340 5.543
233 QD LYS 56 QD LYS 56 12.455 9.665 3.770
234 QE LYS 56 QE LYS 56 10.905 8.197 2.467
235 H CYS 57 HN CYS 57 11.629 5.168 2.195
236 HA CYS 57 HA CYS 57 10.546 2.598 2.156
237 QB CYS 57 QB CYS 57 12.459 3.151 0.391
Start of MODEL 2
Raw file had 237 H/Q atoms
1 H PCA 1 HN PCA 1 1.497 -16.809 -10.848
2 HA PCA 1 HA PCA 1 -0.224 -16.453 -12.568
3 QB PCA 1 QB PCA 1 -2.281 -15.859 -11.434
4 QG PCA 1 QG PCA 1 -1.947 -16.355 -9.189
5 H GLY 2 HN GLY 2 0.423 -14.175 -9.960
6 QA GLY 2 QA GLY 2 1.048 -12.173 -11.529
7 H ALA 3 HN ALA 3 -0.512 -12.722 -8.880
8 HA ALA 3 HA ALA 3 -0.474 -12.049 -6.810
9 QB ALA 3 QB ALA 3 1.958 -11.912 -6.545
10 H GLN 4 HN GLN 4 1.836 -9.448 -7.823
11 HA GLN 4 HA GLN 4 1.591 -7.360 -8.190
12 QB GLN 4 QB GLN 4 -1.110 -7.451 -8.517
13 QG GLN 4 QG GLN 4 0.324 -6.209 -10.045
14 H VAL 5 HN VAL 5 0.477 -8.803 -5.334
15 HA VAL 5 HA VAL 5 0.606 -6.179 -4.066
16 HB VAL 5 HB VAL 5 -1.668 -8.124 -3.610
17 QG1 VAL 5 QG1 VAL 5 -1.434 -6.466 -1.830
18 QG2 VAL 5 QG2 VAL 5 -2.243 -6.067 -4.807
19 QQG VAL 5 QQG VAL 5 -1.761 -6.238 -3.337
20 H ASP 6 HN ASP 6 2.608 -6.575 -3.187
21 HA ASP 6 HA ASP 6 2.542 -8.418 -0.981
22 QB ASP 6 QB ASP 6 4.355 -9.474 -2.043
23 H CYS 7 HN CYS 7 5.207 -8.125 -0.121
24 HA CYS 7 HA CYS 7 5.425 -5.195 0.065
25 QB CYS 7 QB CYS 7 6.064 -6.856 2.105
26 H ALA 8 HN ALA 8 6.285 -6.288 -2.253
27 HA ALA 8 HA ALA 8 9.111 -6.989 -1.988
28 QB ALA 8 QB ALA 8 8.004 -7.302 -4.202
29 H GLU 9 HN GLU 9 7.057 -4.192 -2.585
30 HA GLU 9 HA GLU 9 9.077 -2.652 -3.740
31 QB GLU 9 QB GLU 9 7.141 -1.407 -3.569
32 QG GLU 9 QG GLU 9 6.602 -1.189 -1.240
33 H PHE 10 HN PHE 10 8.620 -3.861 -0.502
34 HA PHE 10 HA PHE 10 10.476 -1.835 0.478
35 HZ PHE 10 HZ PHE 10 6.280 1.824 0.798
36 QB PHE 10 QB PHE 10 8.949 -3.105 2.322
37 QB PHE 10 QB PHE 10 8.949 -3.105 2.322
38 H LYS 11 HN LYS 11 11.546 -3.757 -1.133
39 HA LYS 11 HA LYS 11 12.843 -5.787 0.457
40 QB LYS 11 QB LYS 11 12.958 -6.440 -1.666
41 QG LYS 11 QG LYS 11 13.223 -4.276 -2.871
42 QD LYS 11 QD LYS 11 12.601 -6.304 -4.189
43 QE LYS 11 QE LYS 11 12.408 -4.925 -5.948
44 H ASP 12 HN ASP 12 13.374 -3.129 1.371
45 HA ASP 12 HA ASP 12 15.077 -1.474 0.312
46 QB ASP 12 QB ASP 12 15.425 -1.879 2.926
47 HA PRO 13 HA PRO 13 16.465 -0.150 1.136
48 QB PRO 13 QB PRO 13 18.591 0.588 1.782
49 QG PRO 13 QG PRO 13 20.325 -0.876 1.249
50 QD PRO 13 QD PRO 13 19.311 -2.795 0.469
51 H LYS 14 HN LYS 14 15.680 1.175 -0.290
52 HA LYS 14 HA LYS 14 16.988 2.331 -2.347
53 QB LYS 14 QB LYS 14 16.646 0.134 -3.486
54 QG LYS 14 QG LYS 14 14.873 0.939 -4.790
55 QD LYS 14 QD LYS 14 16.678 2.571 -5.298
56 QE LYS 14 QE LYS 14 14.964 4.078 -5.551
57 H VAL 15 HN VAL 15 13.929 0.850 -1.198
58 HA VAL 15 HA VAL 15 12.488 3.143 -2.305
59 HB VAL 15 HB VAL 15 11.446 0.490 -1.342
60 QG1 VAL 15 QG1 VAL 15 9.782 2.032 -2.282
61 QG2 VAL 15 QG2 VAL 15 12.081 0.484 -3.718
62 QQG VAL 15 QQG VAL 15 10.913 1.236 -3.006
63 OH TYR 16 OH TYR 16 12.218 10.113 4.946
64 H TYR 16 HN TYR 16 12.814 4.723 -0.732
65 HA TYR 16 HA TYR 16 11.912 4.039 1.984
66 QB TYR 16 QB TYR 16 13.825 5.660 1.218
67 QB TYR 16 QB TYR 16 13.825 5.660 1.218
68 H CYS 17 HN CYS 17 10.520 5.756 3.081
69 HA CYS 17 HA CYS 17 8.346 6.293 1.310
70 QB CYS 17 QB CYS 17 7.823 7.098 3.708
71 H THR 18 HN THR 18 8.152 8.103 0.069
72 HA THR 18 HA THR 18 9.457 10.549 1.079
73 HB THR 18 HB THR 18 9.468 9.329 -1.717
74 QG2 THR 18 QG2 THR 18 10.015 11.766 -1.700
75 NH1 ARG 19 NH1 ARG 19 2.628 14.481 1.015
76 NH2 ARG 19 NH2 ARG 19 2.541 13.112 -0.861
77 H ARG 19 HN ARG 19 7.502 10.087 -1.907
78 HA ARG 19 HA ARG 19 5.472 11.714 -0.645
79 QB ARG 19 QB ARG 19 6.739 12.358 -2.977
80 QG ARG 19 QG ARG 19 4.949 13.837 -2.905
81 QD ARG 19 QD ARG 19 5.968 14.310 -0.697
82 H GLU 20 HN GLU 20 3.914 11.613 -3.241
83 HA GLU 20 HA GLU 20 2.385 9.476 -2.810
84 QB GLU 20 QB GLU 20 2.351 10.498 -5.296
85 QG GLU 20 QG GLU 20 0.640 11.200 -3.721
86 H SER 21 HN SER 21 2.285 7.309 -3.381
87 HA SER 21 HA SER 21 4.130 6.440 -5.418
88 QB SER 21 QB SER 21 4.162 4.613 -3.480
89 H ASN 22 HN ASN 22 1.761 7.155 -6.001
90 HA ASN 22 HA ASN 22 0.130 6.564 -7.196
91 QB ASN 22 QB ASN 22 1.136 4.370 -7.617
92 HA PRO 23 HA PRO 23 -2.727 5.807 -3.722
93 QB PRO 23 QB PRO 23 -4.493 7.232 -4.599
94 QG PRO 23 QG PRO 23 -3.623 8.392 -6.383
95 QD PRO 23 QD PRO 23 -2.749 6.356 -7.628
96 H HIS 24 HN HIS 24 -3.784 4.043 -3.058
97 HA HIS 24 HA HIS 24 -5.349 2.547 -4.997
98 HD1 HIS 24 HD1 HIS 24 -2.986 1.580 -1.540
99 HD2 HIS 24 HD2 HIS 24 -0.582 1.023 -4.838
100 HE1 HIS 24 HE1 HIS 24 -0.968 3.112 -1.155
101 QB HIS 24 QB HIS 24 -3.755 0.892 -4.765
102 H CYS 25 HN CYS 25 -7.057 1.380 -3.908
103 HA CYS 25 HA CYS 25 -7.330 2.235 -1.167
104 QB CYS 25 QB CYS 25 -9.328 0.779 -2.152
105 H GLY 26 HN GLY 26 -7.522 0.790 0.630
106 QA GLY 26 QA GLY 26 -6.064 -1.456 0.605
107 H SER 27 HN SER 27 -8.697 -0.370 1.669
108 HA SER 27 HA SER 27 -8.658 -0.470 4.553
109 QB SER 27 QB SER 27 -10.138 0.780 2.750
110 H ASN 28 HN ASN 28 -11.261 -0.609 5.028
111 HA ASN 28 HA ASN 28 -12.291 -3.097 4.111
112 QB ASN 28 QB ASN 28 -13.967 -1.791 5.695
113 H GLY 29 HN GLY 29 -12.464 0.315 3.296
114 QA GLY 29 QA GLY 29 -14.178 0.259 1.321
115 H GLU 30 HN GLU 30 -11.313 1.052 1.317
116 HA GLU 30 HA GLU 30 -11.785 3.842 0.978
117 QB GLU 30 QB GLU 30 -10.461 3.462 3.319
118 QG GLU 30 QG GLU 30 -12.321 5.067 2.793
119 H THR 31 HN THR 31 -10.036 5.239 0.559
120 HA THR 31 HA THR 31 -7.962 4.100 -1.075
121 HB THR 31 HB THR 31 -8.658 6.921 -0.226
122 QG2 THR 31 QG2 THR 31 -7.058 6.652 -2.112
123 OH TYR 32 OH TYR 32 -4.383 2.247 6.832
124 H TYR 32 HN TYR 32 -5.856 3.927 -0.787
125 HA TYR 32 HA TYR 32 -4.815 5.017 1.721
126 QB TYR 32 QB TYR 32 -4.091 2.494 0.786
127 QB TYR 32 QB TYR 32 -4.091 2.494 0.786
128 H GLY 33 HN GLY 33 -2.849 6.048 1.620
129 QA GLY 33 QA GLY 33 -1.669 7.226 0.097
130 H ASN 34 HN ASN 34 0.792 6.156 0.325
131 HA ASN 34 HA ASN 34 1.378 5.271 -2.349
132 QB ASN 34 QB ASN 34 3.369 5.478 -0.823
133 H LYS 35 HN LYS 35 3.231 3.539 -1.997
134 HA LYS 35 HA LYS 35 2.079 1.163 -0.944
135 QB LYS 35 QB LYS 35 3.740 0.770 -2.444
136 QG LYS 35 QG LYS 35 5.841 1.000 -1.434
137 QD LYS 35 QD LYS 35 5.557 3.152 -2.600
138 QE LYS 35 QE LYS 35 7.015 3.191 -0.572
139 H CYS 36 HN CYS 36 4.202 3.656 0.360
140 HA CYS 36 HA CYS 36 5.282 2.123 2.494
141 QB CYS 36 QB CYS 36 5.188 4.818 2.640
142 H ALA 37 HN ALA 37 2.672 4.647 2.724
143 HA ALA 37 HA ALA 37 1.773 3.822 5.180
144 QB ALA 37 QB ALA 37 0.315 5.297 3.838
145 H PHE 38 HN PHE 38 1.017 2.437 1.954
146 HA PHE 38 HA PHE 38 -1.159 0.882 2.721
147 HZ PHE 38 HZ PHE 38 -4.281 -1.643 -1.414
148 QB PHE 38 QB PHE 38 0.555 0.792 0.578
149 QB PHE 38 QB PHE 38 0.555 0.792 0.578
150 H CYS 39 HN CYS 39 2.177 -0.370 1.993
151 HA CYS 39 HA CYS 39 1.445 -2.839 3.185
152 QB CYS 39 QB CYS 39 3.689 -2.430 1.856
153 H LYS 40 HN LYS 40 2.860 0.131 4.435
154 HA LYS 40 HA LYS 40 4.078 -1.092 6.688
155 QB LYS 40 QB LYS 40 3.839 1.520 6.224
156 QG LYS 40 QG LYS 40 4.491 0.840 8.493
157 QD LYS 40 QD LYS 40 6.556 1.608 7.576
158 QE LYS 40 QE LYS 40 6.098 3.840 7.687
159 H ALA 41 HN ALA 41 0.850 0.420 6.049
160 HA ALA 41 HA ALA 41 -0.081 0.030 8.672
161 QB ALA 41 QB ALA 41 -1.776 0.581 6.948
162 H VAL 42 HN VAL 42 -0.460 -2.008 5.684
163 HA VAL 42 HA VAL 42 -1.799 -4.081 6.867
164 HB VAL 42 HB VAL 42 0.202 -4.089 4.603
165 QG1 VAL 42 QG1 VAL 42 -0.553 -6.357 5.096
166 QG2 VAL 42 QG2 VAL 42 -2.169 -3.921 4.045
167 QQG VAL 42 QQG VAL 42 -1.418 -5.118 4.714
168 H MET 43 HN MET 43 1.715 -3.367 7.085
169 HA MET 43 HA MET 43 2.440 -5.828 8.120
170 QB MET 43 QB MET 43 3.812 -3.557 8.122
171 QG MET 43 QG MET 43 4.902 -4.368 10.017
172 QE MET 43 QE MET 43 5.199 -6.088 6.891
173 H LYS 44 HN LYS 44 2.143 -2.860 10.197
174 HA LYS 44 HA LYS 44 1.228 -4.515 12.398
175 QB LYS 44 QB LYS 44 2.201 -1.991 12.421
176 QG LYS 44 QG LYS 44 1.803 -3.528 14.352
177 QD LYS 44 QD LYS 44 3.105 -1.549 14.989
178 QE LYS 44 QE LYS 44 1.233 -1.741 16.530
179 H SER 45 HN SER 45 -0.725 -4.651 10.410
180 HA SER 45 HA SER 45 -2.488 -2.466 10.419
181 QB SER 45 QB SER 45 -2.499 -4.421 8.879
182 H GLY 46 HN GLY 46 -3.206 -5.905 11.367
183 QA GLY 46 QA GLY 46 -4.553 -5.420 13.528
184 H GLY 47 HN GLY 47 -5.073 -6.436 10.610
185 QA GLY 47 QA GLY 47 -5.842 -8.884 11.062
186 H LYS 48 HN LYS 48 -6.752 -6.349 9.406
187 HA LYS 48 HA LYS 48 -6.338 -7.401 6.828
188 QB LYS 48 QB LYS 48 -8.252 -8.573 6.962
189 QG LYS 48 QG LYS 48 -10.196 -7.411 7.438
190 QD LYS 48 QD LYS 48 -9.231 -7.315 9.709
191 QE LYS 48 QE LYS 48 -10.970 -5.627 9.350
192 H ILE 49 HN ILE 49 -6.157 -5.779 5.453
193 HA ILE 49 HA ILE 49 -7.952 -3.517 5.864
194 HB ILE 49 HB ILE 49 -5.147 -2.875 5.083
195 QG1 ILE 49 QG1 ILE 49 -5.470 -3.917 7.381
196 QG2 ILE 49 QG2 ILE 49 -6.466 -1.030 6.053
197 QD1 ILE 49 QD1 ILE 49 -4.790 -1.813 8.077
198 H ASN 50 HN ASN 50 -9.202 -3.754 3.924
199 HA ASN 50 HA ASN 50 -7.834 -5.171 1.816
200 QB ASN 50 QB ASN 50 -10.452 -4.967 1.469
201 H LEU 51 HN LEU 51 -7.735 -5.043 -0.290
202 HA LEU 51 HA LEU 51 -7.456 -2.550 -1.536
203 HG LEU 51 HG LEU 51 -5.283 -5.476 -2.758
204 QB LEU 51 QB LEU 51 -7.417 -4.768 -3.011
205 QD1 LEU 51 QD1 LEU 51 -4.761 -3.265 -3.637
206 QD2 LEU 51 QD2 LEU 51 -4.992 -4.240 -0.655
207 QQD LEU 51 QQD LEU 51 -4.861 -3.754 -2.145
208 H LYS 52 HN LYS 52 -9.217 -1.300 -2.076
209 HA LYS 52 HA LYS 52 -11.666 -2.778 -2.710
210 QB LYS 52 QB LYS 52 -11.447 -0.767 -1.093
211 QG LYS 52 QG LYS 52 -13.342 0.002 -2.359
212 QD LYS 52 QD LYS 52 -14.764 -1.701 -1.869
213 QE LYS 52 QE LYS 52 -13.166 -2.532 -0.198
214 H HIS 53 HN HIS 53 -11.046 0.609 -3.574
215 HA HIS 53 HA HIS 53 -11.394 -0.046 -6.362
216 HD1 HIS 53 HD1 HIS 53 -13.842 3.781 -5.569
217 HD2 HIS 53 HD2 HIS 53 -13.503 -0.365 -5.155
218 HE1 HIS 53 HE1 HIS 53 -15.959 3.025 -4.366
219 QB HIS 53 QB HIS 53 -11.356 2.506 -5.713
220 NH1 ARG 54 NH1 ARG 54 -5.989 -3.441 -6.752
221 NH2 ARG 54 NH2 ARG 54 -6.915 -1.492 -5.916
222 H ARG 54 HN ARG 54 -9.965 0.823 -8.029
223 HA ARG 54 HA ARG 54 -7.241 0.683 -7.183
224 QB ARG 54 QB ARG 54 -8.273 0.400 -9.698
225 QG ARG 54 QG ARG 54 -5.876 0.525 -9.791
226 QD ARG 54 QD ARG 54 -6.175 -1.846 -9.582
227 H GLY 55 HN GLY 55 -7.549 2.879 -6.022
228 QA GLY 55 QA GLY 55 -6.897 5.032 -7.252
229 H LYS 56 HN LYS 56 -8.802 6.836 -7.273
230 HA LYS 56 HA LYS 56 -9.322 7.392 -4.589
231 QB LYS 56 QB LYS 56 -10.943 8.388 -6.529
232 QG LYS 56 QG LYS 56 -9.353 10.021 -6.109
233 QD LYS 56 QD LYS 56 -10.325 9.797 -3.824
234 QE LYS 56 QE LYS 56 -7.997 10.693 -4.054
235 H CYS 57 HN CYS 57 -11.150 6.873 -3.245
236 HA CYS 57 HA CYS 57 -12.536 4.472 -4.192
237 QB CYS 57 QB CYS 57 -12.233 5.001 -1.556
Start of MODEL 3
Raw file had 237 H/Q atoms
1 H PCA 1 HN PCA 1 -1.421 16.347 -11.859
2 HA PCA 1 HA PCA 1 0.725 15.467 -11.181
3 QB PCA 1 QB PCA 1 0.426 14.260 -9.138
4 QG PCA 1 QG PCA 1 -1.816 14.448 -8.517
5 H GLY 2 HN GLY 2 -1.489 12.734 -10.799
6 QA GLY 2 QA GLY 2 -1.417 11.477 -12.867
7 H ALA 3 HN ALA 3 0.301 11.247 -10.224
8 HA ALA 3 HA ALA 3 1.255 8.646 -10.661
9 QB ALA 3 QB ALA 3 3.158 9.927 -11.578
10 H GLN 4 HN GLN 4 0.020 9.341 -8.484
11 HA GLN 4 HA GLN 4 2.154 9.794 -6.559
12 QB GLN 4 QB GLN 4 0.733 11.479 -5.838
13 QG GLN 4 QG GLN 4 -1.008 11.696 -7.446
14 H VAL 5 HN VAL 5 0.957 9.349 -4.207
15 HA VAL 5 HA VAL 5 -0.102 6.644 -4.534
16 HB VAL 5 HB VAL 5 0.845 7.958 -2.005
17 QG1 VAL 5 QG1 VAL 5 0.664 5.517 -2.020
18 QG2 VAL 5 QG2 VAL 5 2.763 7.337 -3.435
19 QQG VAL 5 QQG VAL 5 1.732 6.432 -2.698
20 H ASP 6 HN ASP 6 -2.146 6.080 -3.697
21 HA ASP 6 HA ASP 6 -3.569 8.012 -2.152
22 QB ASP 6 QB ASP 6 -4.253 7.910 -4.744
23 H CYS 7 HN CYS 7 -3.521 6.094 -0.701
24 HA CYS 7 HA CYS 7 -5.285 3.958 -1.657
25 QB CYS 7 QB CYS 7 -3.072 3.593 -0.198
26 H ALA 8 HN ALA 8 -5.939 6.644 -0.395
27 HA ALA 8 HA ALA 8 -7.001 5.871 2.204
28 QB ALA 8 QB ALA 8 -6.928 8.260 1.582
29 H GLU 9 HN GLU 9 -8.054 6.987 -1.078
30 HA GLU 9 HA GLU 9 -10.780 6.650 -0.479
31 QB GLU 9 QB GLU 9 -10.062 7.158 -3.018
32 QG GLU 9 QG GLU 9 -10.900 9.031 -1.851
33 H PHE 10 HN PHE 10 -8.377 4.331 -0.987
34 HA PHE 10 HA PHE 10 -9.840 2.601 -2.737
35 HZ PHE 10 HZ PHE 10 -6.544 -0.126 -6.564
36 QB PHE 10 QB PHE 10 -7.472 2.184 -1.358
37 QB PHE 10 QB PHE 10 -7.472 2.184 -1.358
38 H LYS 11 HN LYS 11 -9.730 3.329 0.698
39 HA LYS 11 HA LYS 11 -10.354 0.897 1.819
40 QB LYS 11 QB LYS 11 -10.437 3.256 2.835
41 QG LYS 11 QG LYS 11 -12.277 2.633 4.123
42 QD LYS 11 QD LYS 11 -11.820 0.412 4.518
43 QE LYS 11 QE LYS 11 -9.568 1.189 5.078
44 H ASP 12 HN ASP 12 -12.722 3.445 0.765
45 HA ASP 12 HA ASP 12 -14.774 1.426 0.783
46 QB ASP 12 QB ASP 12 -15.241 4.065 0.243
47 HA PRO 13 HA PRO 13 -16.710 1.516 -0.049
48 QB PRO 13 QB PRO 13 -18.352 1.774 -1.723
49 QG PRO 13 QG PRO 13 -17.550 1.530 -3.892
50 QD PRO 13 QD PRO 13 -15.252 1.283 -3.699
51 H LYS 14 HN LYS 14 -16.696 -0.325 1.113
52 HA LYS 14 HA LYS 14 -16.572 -2.513 1.587
53 QB LYS 14 QB LYS 14 -18.429 -2.864 -0.361
54 QG LYS 14 QG LYS 14 -19.358 -2.965 1.797
55 QD LYS 14 QD LYS 14 -18.171 -5.102 1.736
56 QE LYS 14 QE LYS 14 -17.953 -4.437 4.021
57 H VAL 15 HN VAL 15 -14.198 -1.872 0.528
58 HA VAL 15 HA VAL 15 -13.711 -4.088 -1.343
59 HB VAL 15 HB VAL 15 -12.626 -1.301 -1.298
60 QG1 VAL 15 QG1 VAL 15 -10.960 -2.818 -2.289
61 QG2 VAL 15 QG2 VAL 15 -13.819 -2.097 -3.304
62 QQG VAL 15 QQG VAL 15 -12.384 -2.440 -2.799
63 OH TYR 16 OH TYR 16 -17.572 -7.225 2.967
64 H TYR 16 HN TYR 16 -13.001 -5.685 0.023
65 HA TYR 16 HA TYR 16 -11.252 -5.006 2.220
66 QB TYR 16 QB TYR 16 -11.665 -7.570 1.870
67 QB TYR 16 QB TYR 16 -11.665 -7.570 1.870
68 H CYS 17 HN CYS 17 -9.479 -7.240 2.195
69 HA CYS 17 HA CYS 17 -7.796 -6.409 -0.032
70 QB CYS 17 QB CYS 17 -6.874 -7.440 2.322
71 H THR 18 HN THR 18 -9.534 -7.727 -1.266
72 HA THR 18 HA THR 18 -9.162 -10.596 -0.965
73 HB THR 18 HB THR 18 -10.898 -10.671 -2.848
74 QG2 THR 18 QG2 THR 18 -11.979 -9.883 -0.735
75 NH1 ARG 19 NH1 ARG 19 -5.735 -13.518 -4.178
76 NH2 ARG 19 NH2 ARG 19 -7.957 -13.028 -3.798
77 H ARG 19 HN ARG 19 -9.045 -8.538 -3.961
78 HA ARG 19 HA ARG 19 -6.848 -10.258 -4.734
79 QB ARG 19 QB ARG 19 -8.392 -8.791 -6.487
80 QG ARG 19 QG ARG 19 -7.277 -10.491 -7.641
81 QD ARG 19 QD ARG 19 -8.724 -11.985 -6.381
82 H GLU 20 HN GLU 20 -5.729 -8.913 -2.941
83 HA GLU 20 HA GLU 20 -5.173 -6.312 -2.964
84 QB GLU 20 QB GLU 20 -3.869 -7.511 -1.497
85 QG GLU 20 QG GLU 20 -2.330 -8.800 -2.854
86 H SER 21 HN SER 21 -2.908 -5.297 -3.288
87 HA SER 21 HA SER 21 -2.159 -5.783 -6.058
88 QB SER 21 QB SER 21 -1.352 -3.451 -5.295
89 H ASN 22 HN ASN 22 -1.069 -7.725 -5.305
90 HA ASN 22 HA ASN 22 0.682 -8.087 -3.421
91 QB ASN 22 QB ASN 22 0.783 -9.235 -5.918
92 HA PRO 23 HA PRO 23 5.012 -7.401 -3.216
93 QB PRO 23 QB PRO 23 5.747 -8.869 -5.235
94 QG PRO 23 QG PRO 23 4.578 -10.506 -4.046
95 QD PRO 23 QD PRO 23 2.302 -9.741 -3.575
96 H HIS 24 HN HIS 24 4.941 -5.389 -2.981
97 HA HIS 24 HA HIS 24 6.364 -3.773 -4.884
98 HD1 HIS 24 HD1 HIS 24 2.897 -4.897 -3.533
99 HD2 HIS 24 HD2 HIS 24 3.418 -0.810 -2.845
100 HE1 HIS 24 HE1 HIS 24 1.281 -4.324 -1.666
101 QB HIS 24 QB HIS 24 4.315 -2.772 -5.353
102 H CYS 25 HN CYS 25 7.463 -2.194 -3.782
103 HA CYS 25 HA CYS 25 7.771 -2.524 -0.949
104 QB CYS 25 QB CYS 25 8.908 -0.447 -1.971
105 H GLY 26 HN GLY 26 7.923 -0.253 0.233
106 QA GLY 26 QA GLY 26 5.852 1.269 0.429
107 H SER 27 HN SER 27 8.190 0.788 2.177
108 HA SER 27 HA SER 27 6.838 -0.720 4.317
109 QB SER 27 QB SER 27 9.267 -0.991 4.246
110 H ASN 28 HN ASN 28 9.506 1.262 3.592
111 HA ASN 28 HA ASN 28 9.200 3.791 4.744
112 QB ASN 28 QB ASN 28 10.864 2.185 6.108
113 H GLY 29 HN GLY 29 11.339 1.085 3.846
114 QA GLY 29 QA GLY 29 12.779 2.025 1.884
115 H GLU 30 HN GLU 30 10.512 -0.041 2.398
116 HA GLU 30 HA GLU 30 12.214 -2.261 1.607
117 QB GLU 30 QB GLU 30 10.826 -2.478 3.936
118 QG GLU 30 QG GLU 30 12.666 -3.896 2.998
119 H THR 31 HN THR 31 10.894 -4.369 1.447
120 HA THR 31 HA THR 31 8.985 -4.049 -0.665
121 HB THR 31 HB THR 31 10.127 -6.455 0.787
122 QG2 THR 31 QG2 THR 31 9.064 -6.856 -1.426
123 OH TYR 32 OH TYR 32 2.899 -3.893 6.622
124 H TYR 32 HN TYR 32 6.800 -4.387 -0.613
125 HA TYR 32 HA TYR 32 5.776 -5.586 1.860
126 QB TYR 32 QB TYR 32 4.719 -3.210 0.880
127 QB TYR 32 QB TYR 32 4.719 -3.210 0.880
128 H GLY 33 HN GLY 33 3.447 -6.376 1.596
129 QA GLY 33 QA GLY 33 2.948 -8.012 -0.097
130 H ASN 34 HN ASN 34 0.465 -6.929 0.939
131 HA ASN 34 HA ASN 34 -0.789 -6.502 -1.568
132 QB ASN 34 QB ASN 34 -2.434 -6.371 0.384
133 H LYS 35 HN LYS 35 -1.093 -4.499 -2.297
134 HA LYS 35 HA LYS 35 -0.073 -2.203 -1.047
135 QB LYS 35 QB LYS 35 -1.484 -2.235 -3.313
136 QG LYS 35 QG LYS 35 -0.866 -0.101 -2.194
137 QD LYS 35 QD LYS 35 -1.493 0.452 -4.410
138 QE LYS 35 QE LYS 35 -3.616 1.109 -3.782
139 H CYS 36 HN CYS 36 -3.384 -3.606 -0.896
140 HA CYS 36 HA CYS 36 -4.518 -1.467 0.466
141 QB CYS 36 QB CYS 36 -5.794 -3.356 -0.051
142 H ALA 37 HN ALA 37 -2.718 -4.436 1.572
143 HA ALA 37 HA ALA 37 -2.933 -4.025 4.301
144 QB ALA 37 QB ALA 37 -1.318 -5.656 3.428
145 H PHE 38 HN PHE 38 -0.030 -3.257 2.231
146 HA PHE 38 HA PHE 38 1.438 -2.023 4.105
147 HZ PHE 38 HZ PHE 38 3.091 3.121 -0.255
148 QB PHE 38 QB PHE 38 1.876 -2.136 1.686
149 QB PHE 38 QB PHE 38 1.876 -2.136 1.686
150 H CYS 39 HN CYS 39 -1.179 -0.470 2.154
151 HA CYS 39 HA CYS 39 -0.549 2.047 3.269
152 QB CYS 39 QB CYS 39 -2.141 2.539 1.852
153 H LYS 40 HN LYS 40 -3.485 -0.072 3.980
154 HA LYS 40 HA LYS 40 -4.262 1.436 6.132
155 QB LYS 40 QB LYS 40 -5.038 -1.041 5.414
156 QG LYS 40 QG LYS 40 -6.400 0.471 6.812
157 QD LYS 40 QD LYS 40 -6.495 -1.389 8.264
158 QE LYS 40 QE LYS 40 -7.922 -2.239 6.486
159 H ALA 41 HN ALA 41 -1.518 -0.759 6.108
160 HA ALA 41 HA ALA 41 -1.597 -1.024 9.007
161 QB ALA 41 QB ALA 41 -0.029 -2.403 7.620
162 H VAL 42 HN VAL 42 0.779 0.206 6.562
163 HA VAL 42 HA VAL 42 2.416 1.471 8.659
164 HB VAL 42 HB VAL 42 2.682 1.712 5.826
165 QG1 VAL 42 QG1 VAL 42 4.655 1.870 7.608
166 QG2 VAL 42 QG2 VAL 42 3.402 -0.605 6.337
167 QQG VAL 42 QQG VAL 42 4.043 0.761 6.735
168 H MET 43 HN MET 43 -0.348 2.334 6.703
169 HA MET 43 HA MET 43 0.125 5.097 6.613
170 QB MET 43 QB MET 43 -2.348 4.030 6.520
171 QG MET 43 QG MET 43 -2.643 6.191 7.559
172 QE MET 43 QE MET 43 -4.914 6.208 5.113
173 H LYS 44 HN LYS 44 -1.233 3.016 9.179
174 HA LYS 44 HA LYS 44 -1.092 5.119 11.190
175 QB LYS 44 QB LYS 44 -2.360 2.753 11.250
176 QG LYS 44 QG LYS 44 -3.010 4.070 13.085
177 QD LYS 44 QD LYS 44 -0.745 3.664 13.907
178 QE LYS 44 QE LYS 44 -2.352 2.915 15.597
179 H SER 45 HN SER 45 1.463 4.820 10.234
180 HA SER 45 HA SER 45 2.893 2.518 10.602
181 QB SER 45 QB SER 45 4.406 3.973 9.944
182 H GLY 46 HN GLY 46 2.782 5.736 12.306
183 QA GLY 46 QA GLY 46 3.372 5.308 14.710
184 H GLY 47 HN GLY 47 5.340 5.186 12.289
185 QA GLY 47 QA GLY 47 7.136 6.815 12.590
186 H LYS 48 HN LYS 48 6.683 5.745 9.953
187 HA LYS 48 HA LYS 48 4.947 7.288 8.557
188 QB LYS 48 QB LYS 48 6.450 8.847 7.886
189 QG LYS 48 QG LYS 48 8.427 9.152 8.864
190 QD LYS 48 QD LYS 48 8.757 6.682 8.903
191 QE LYS 48 QE LYS 48 10.765 8.172 8.923
192 H ILE 49 HN ILE 49 4.792 6.444 6.380
193 HA ILE 49 HA ILE 49 6.156 3.904 6.138
194 HB ILE 49 HB ILE 49 4.277 4.698 4.018
195 QG1 ILE 49 QG1 ILE 49 3.345 4.326 6.520
196 QG2 ILE 49 QG2 ILE 49 4.735 2.423 4.234
197 QD1 ILE 49 QD1 ILE 49 1.886 4.070 4.709
198 H ASN 50 HN ASN 50 7.206 3.490 3.714
199 HA ASN 50 HA ASN 50 7.300 5.708 2.090
200 QB ASN 50 QB ASN 50 9.415 5.946 3.668
201 H LEU 51 HN LEU 51 8.549 5.650 0.210
202 HA LEU 51 HA LEU 51 8.751 4.847 -1.695
203 HG LEU 51 HG LEU 51 11.974 3.609 -2.776
204 QB LEU 51 QB LEU 51 10.990 3.972 -0.707
205 QD1 LEU 51 QD1 LEU 51 11.018 1.402 -2.564
206 QD2 LEU 51 QD2 LEU 51 9.927 3.966 -4.008
207 QQD LEU 51 QQD LEU 51 10.353 2.675 -3.200
208 H LYS 52 HN LYS 52 7.302 3.892 -2.872
209 HA LYS 52 HA LYS 52 7.157 1.034 -2.430
210 QB LYS 52 QB LYS 52 5.259 1.818 -1.456
211 QG LYS 52 QG LYS 52 3.777 2.043 -3.359
212 QD LYS 52 QD LYS 52 3.064 4.103 -2.801
213 QE LYS 52 QE LYS 52 5.024 4.675 -1.517
214 H HIS 53 HN HIS 53 8.719 1.464 -4.138
215 HA HIS 53 HA HIS 53 7.621 1.737 -6.778
216 HD1 HIS 53 HD1 HIS 53 12.389 0.873 -6.877
217 HD2 HIS 53 HD2 HIS 53 9.445 2.138 -9.471
218 HE1 HIS 53 HE1 HIS 53 12.581 -0.712 -8.882
219 QB HIS 53 QB HIS 53 10.044 1.893 -5.889
220 NH1 ARG 54 NH1 ARG 54 13.854 -2.659 -7.148
221 NH2 ARG 54 NH2 ARG 54 12.524 -1.209 -5.940
222 H ARG 54 HN ARG 54 8.724 -0.385 -8.228
223 HA ARG 54 HA ARG 54 6.965 -2.308 -7.825
224 QB ARG 54 QB ARG 54 8.524 -2.542 -9.671
225 QG ARG 54 QG ARG 54 9.793 -4.345 -8.790
226 QD ARG 54 QD ARG 54 11.486 -2.650 -9.164
227 H GLY 55 HN GLY 55 7.357 -4.740 -7.574
228 QA GLY 55 QA GLY 55 7.721 -6.001 -5.815
229 H LYS 56 HN LYS 56 10.169 -7.128 -6.324
230 HA LYS 56 HA LYS 56 11.338 -6.935 -3.814
231 QB LYS 56 QB LYS 56 12.918 -7.892 -5.698
232 QG LYS 56 QG LYS 56 11.122 -9.246 -4.621
233 QD LYS 56 QD LYS 56 11.973 -10.425 -6.588
234 QE LYS 56 QE LYS 56 13.264 -11.805 -5.301
235 H CYS 57 HN CYS 57 12.028 -5.083 -2.915
236 HA CYS 57 HA CYS 57 12.490 -2.746 -4.245
237 QB CYS 57 QB CYS 57 13.599 -3.181 -1.814
Start of MODEL 4
Raw file had 237 H/Q atoms
1 H PCA 1 HN PCA 1 -0.795 15.118 -9.772
2 HA PCA 1 HA PCA 1 -1.478 15.535 -12.181
3 QB PCA 1 QB PCA 1 0.567 15.333 -13.473
4 QG PCA 1 QG PCA 1 2.269 15.772 -11.938
5 H GLY 2 HN GLY 2 0.118 13.055 -10.422
6 QA GLY 2 QA GLY 2 -0.588 10.925 -11.518
7 H ALA 3 HN ALA 3 -1.177 12.685 -8.945
8 HA ALA 3 HA ALA 3 -2.406 12.596 -7.183
9 QB ALA 3 QB ALA 3 -4.214 11.161 -7.994
10 H GLN 4 HN GLN 4 -0.156 10.269 -7.971
11 HA GLN 4 HA GLN 4 0.880 8.706 -6.899
12 QB GLN 4 QB GLN 4 1.510 10.182 -5.229
13 QG GLN 4 QG GLN 4 -0.580 10.297 -3.903
14 H VAL 5 HN VAL 5 0.680 7.548 -4.275
15 HA VAL 5 HA VAL 5 -1.731 5.958 -4.635
16 HB VAL 5 HB VAL 5 0.613 5.539 -2.804
17 QG1 VAL 5 QG1 VAL 5 -1.018 3.694 -3.032
18 QG2 VAL 5 QG2 VAL 5 1.039 4.772 -5.112
19 QQG VAL 5 QQG VAL 5 0.060 4.208 -4.038
20 H ASP 6 HN ASP 6 -3.145 5.589 -2.730
21 HA ASP 6 HA ASP 6 -2.827 7.696 -0.722
22 QB ASP 6 QB ASP 6 -5.180 7.876 -1.193
23 H CYS 7 HN CYS 7 -4.549 7.430 1.099
24 HA CYS 7 HA CYS 7 -4.890 4.605 1.693
25 QB CYS 7 QB CYS 7 -3.614 6.264 3.362
26 H ALA 8 HN ALA 8 -5.735 7.774 2.644
27 HA ALA 8 HA ALA 8 -8.378 7.013 3.536
28 QB ALA 8 QB ALA 8 -7.643 9.363 3.940
29 H GLU 9 HN GLU 9 -7.002 7.877 0.476
30 HA GLU 9 HA GLU 9 -9.542 8.774 -0.517
31 QB GLU 9 QB GLU 9 -7.567 8.452 -2.316
32 QG GLU 9 QG GLU 9 -7.724 10.749 -1.964
33 H PHE 10 HN PHE 10 -8.339 5.762 0.347
34 HA PHE 10 HA PHE 10 -10.026 4.347 -1.597
35 HZ PHE 10 HZ PHE 10 -8.064 0.779 -5.788
36 QB PHE 10 QB PHE 10 -7.430 3.688 -0.842
37 QB PHE 10 QB PHE 10 -7.430 3.688 -0.842
38 H LYS 11 HN LYS 11 -10.971 5.330 0.890
39 HA LYS 11 HA LYS 11 -10.532 3.165 2.754
40 QB LYS 11 QB LYS 11 -11.944 4.532 4.013
41 QG LYS 11 QG LYS 11 -11.068 6.601 3.283
42 QD LYS 11 QD LYS 11 -13.519 6.695 2.931
43 QE LYS 11 QE LYS 11 -12.538 8.490 1.666
44 H ASP 12 HN ASP 12 -13.758 4.478 1.781
45 HA ASP 12 HA ASP 12 -14.785 1.842 1.697
46 QB ASP 12 QB ASP 12 -16.353 3.900 0.961
47 HA PRO 13 HA PRO 13 -16.861 1.340 0.689
48 QB PRO 13 QB PRO 13 -18.363 0.957 -1.077
49 QG PRO 13 QG PRO 13 -17.473 1.501 -3.148
50 QD PRO 13 QD PRO 13 -15.147 1.349 -2.833
51 H LYS 14 HN LYS 14 -16.261 -1.008 -2.020
52 HA LYS 14 HA LYS 14 -16.950 -3.151 -0.459
53 QB LYS 14 QB LYS 14 -16.360 -2.952 -2.934
54 QG LYS 14 QG LYS 14 -15.537 -5.124 -2.878
55 QD LYS 14 QD LYS 14 -17.728 -5.522 -1.791
56 QE LYS 14 QE LYS 14 -16.211 -7.392 -1.468
57 H VAL 15 HN VAL 15 -14.005 -1.385 -0.226
58 HA VAL 15 HA VAL 15 -11.959 -1.847 0.440
59 HB VAL 15 HB VAL 15 -13.868 -3.007 2.438
60 QG1 VAL 15 QG1 VAL 15 -11.560 -2.800 3.379
61 QG2 VAL 15 QG2 VAL 15 -13.656 -0.630 2.659
62 QQG VAL 15 QQG VAL 15 -12.493 -1.663 2.816
63 OH TYR 16 OH TYR 16 -7.423 -4.039 -6.017
64 H TYR 16 HN TYR 16 -10.963 -3.458 -1.037
65 HA TYR 16 HA TYR 16 -11.108 -6.209 0.070
66 QB TYR 16 QB TYR 16 -11.598 -6.236 -2.234
67 QB TYR 16 QB TYR 16 -11.598 -6.236 -2.234
68 H CYS 17 HN CYS 17 -9.298 -7.429 0.380
69 HA CYS 17 HA CYS 17 -6.810 -6.448 -0.572
70 QB CYS 17 QB CYS 17 -6.137 -6.321 1.738
71 H THR 18 HN THR 18 -7.789 -8.509 -1.646
72 HA THR 18 HA THR 18 -6.328 -10.757 -0.693
73 HB THR 18 HB THR 18 -8.879 -11.938 -0.753
74 QG2 THR 18 QG2 THR 18 -7.673 -11.932 1.414
75 NH1 ARG 19 NH1 ARG 19 -7.835 -13.979 -4.847
76 NH2 ARG 19 NH2 ARG 19 -9.010 -14.019 -6.830
77 H ARG 19 HN ARG 19 -6.202 -9.234 -3.037
78 HA ARG 19 HA ARG 19 -7.040 -11.261 -4.884
79 QB ARG 19 QB ARG 19 -7.389 -8.645 -5.660
80 QG ARG 19 QG ARG 19 -9.552 -9.363 -5.290
81 QD ARG 19 QD ARG 19 -9.225 -11.048 -6.971
82 H GLU 20 HN GLU 20 -5.806 -10.019 -7.123
83 HA GLU 20 HA GLU 20 -3.058 -10.463 -6.425
84 QB GLU 20 QB GLU 20 -3.701 -10.179 -9.010
85 QG GLU 20 QG GLU 20 -3.462 -12.491 -8.519
86 H SER 21 HN SER 21 -2.954 -8.254 -5.220
87 HA SER 21 HA SER 21 -1.599 -6.582 -7.052
88 QB SER 21 QB SER 21 -3.388 -4.958 -5.796
89 H ASN 22 HN ASN 22 -0.734 -8.341 -5.367
90 HA ASN 22 HA ASN 22 -0.190 -7.266 -2.825
91 QB ASN 22 QB ASN 22 -0.018 -9.699 -3.810
92 HA PRO 23 HA PRO 23 4.312 -7.210 -4.167
93 QB PRO 23 QB PRO 23 4.744 -7.843 -6.412
94 QG PRO 23 QG PRO 23 2.877 -7.499 -7.819
95 QD PRO 23 QD PRO 23 1.235 -6.237 -6.465
96 H HIS 24 HN HIS 24 4.479 -5.121 -3.139
97 HA HIS 24 HA HIS 24 5.468 -3.261 -5.075
98 HD1 HIS 24 HD1 HIS 24 3.555 -2.241 -1.542
99 HD2 HIS 24 HD2 HIS 24 0.723 -2.669 -4.593
100 HE1 HIS 24 HE1 HIS 24 1.394 -3.044 -0.418
101 QB HIS 24 QB HIS 24 3.739 -1.859 -4.762
102 H CYS 25 HN CYS 25 7.142 -1.853 -4.101
103 HA CYS 25 HA CYS 25 7.968 -3.038 -1.607
104 QB CYS 25 QB CYS 25 9.443 -1.308 -3.054
105 H GLY 26 HN GLY 26 8.977 -1.530 0.144
106 QA GLY 26 QA GLY 26 7.397 -0.092 1.458
107 H SER 27 HN SER 27 7.883 2.325 2.146
108 HA SER 27 HA SER 27 9.837 3.412 0.675
109 QB SER 27 QB SER 27 9.316 4.961 2.276
110 H ASN 28 HN ASN 28 10.888 2.800 4.075
111 HA ASN 28 HA ASN 28 13.326 1.706 2.981
112 QB ASN 28 QB ASN 28 14.213 3.622 4.075
113 H GLY 29 HN GLY 29 10.710 0.746 4.079
114 QA GLY 29 QA GLY 29 10.795 0.046 6.503
115 H GLU 30 HN GLU 30 9.523 -1.209 4.116
116 HA GLU 30 HA GLU 30 11.059 -3.630 4.074
117 QB GLU 30 QB GLU 30 8.633 -4.054 5.226
118 QG GLU 30 QG GLU 30 10.892 -4.995 5.784
119 H THR 31 HN THR 31 8.941 -5.337 2.897
120 HA THR 31 HA THR 31 8.423 -3.857 0.415
121 HB THR 31 HB THR 31 8.977 -6.812 1.051
122 QG2 THR 31 QG2 THR 31 8.223 -6.418 -1.284
123 OH TYR 32 OH TYR 32 4.794 -0.590 6.070
124 H TYR 32 HN TYR 32 6.282 -3.506 -0.010
125 HA TYR 32 HA TYR 32 4.472 -4.713 1.933
126 QB TYR 32 QB TYR 32 3.733 -2.550 0.419
127 QB TYR 32 QB TYR 32 3.733 -2.550 0.419
128 H GLY 33 HN GLY 33 2.503 -5.585 1.631
129 QA GLY 33 QA GLY 33 1.816 -7.238 0.127
130 H ASN 34 HN ASN 34 -0.790 -6.860 0.439
131 HA ASN 34 HA ASN 34 -1.634 -6.109 -2.102
132 QB ASN 34 QB ASN 34 -3.516 -6.461 -0.255
133 H LYS 35 HN LYS 35 -2.394 -4.135 -2.630
134 HA LYS 35 HA LYS 35 -1.509 -1.785 -1.615
135 QB LYS 35 QB LYS 35 -3.660 -2.186 -3.192
136 QG LYS 35 QG LYS 35 -2.624 -0.275 -3.957
137 QD LYS 35 QD LYS 35 -2.325 0.802 -1.894
138 QE LYS 35 QE LYS 35 -4.507 1.687 -2.111
139 H CYS 36 HN CYS 36 -4.668 -3.317 -0.785
140 HA CYS 36 HA CYS 36 -5.503 -1.295 0.928
141 QB CYS 36 QB CYS 36 -6.717 -3.439 0.513
142 H ALA 37 HN ALA 37 -3.714 -4.388 1.604
143 HA ALA 37 HA ALA 37 -3.372 -4.081 4.289
144 QB ALA 37 QB ALA 37 -1.903 -5.657 3.107
145 H PHE 38 HN PHE 38 -1.099 -2.967 1.657
146 HA PHE 38 HA PHE 38 0.862 -1.878 3.100
147 HZ PHE 38 HZ PHE 38 3.382 3.029 -0.165
148 QB PHE 38 QB PHE 38 0.045 -1.604 0.627
149 QB PHE 38 QB PHE 38 0.045 -1.604 0.627
150 H CYS 39 HN CYS 39 -2.206 -0.177 2.128
151 HA CYS 39 HA CYS 39 -1.360 2.213 3.340
152 QB CYS 39 QB CYS 39 -3.442 2.135 2.122
153 H LYS 40 HN LYS 40 -3.518 -0.442 4.549
154 HA LYS 40 HA LYS 40 -4.049 0.487 7.060
155 QB LYS 40 QB LYS 40 -3.861 -2.159 6.659
156 QG LYS 40 QG LYS 40 -5.913 -0.775 6.314
157 QD LYS 40 QD LYS 40 -6.944 -2.836 6.222
158 QE LYS 40 QE LYS 40 -5.307 -3.701 7.828
159 H ALA 41 HN ALA 41 -1.054 -1.073 5.843
160 HA ALA 41 HA ALA 41 0.099 -1.452 8.390
161 QB ALA 41 QB ALA 41 1.480 -1.861 6.365
162 H VAL 42 HN VAL 42 0.702 0.960 5.720
163 HA VAL 42 HA VAL 42 2.488 2.427 7.181
164 HB VAL 42 HB VAL 42 0.427 3.342 5.118
165 QG1 VAL 42 QG1 VAL 42 2.056 5.124 5.600
166 QG2 VAL 42 QG2 VAL 42 2.498 2.414 4.144
167 QQG VAL 42 QQG VAL 42 2.272 3.750 4.905
168 H MET 43 HN MET 43 -0.993 2.365 7.604
169 HA MET 43 HA MET 43 -1.331 4.797 8.801
170 QB MET 43 QB MET 43 -2.928 2.793 8.941
171 QG MET 43 QG MET 43 -2.648 3.537 11.311
172 QE MET 43 QE MET 43 -4.259 0.510 10.946
173 H LYS 44 HN LYS 44 -0.367 1.675 10.380
174 HA LYS 44 HA LYS 44 0.580 3.094 12.724
175 QB LYS 44 QB LYS 44 -0.172 0.637 12.579
176 QG LYS 44 QG LYS 44 1.826 0.935 14.030
177 QD LYS 44 QD LYS 44 1.462 -1.269 14.541
178 QE LYS 44 QE LYS 44 1.276 -1.510 12.083
179 H SER 45 HN SER 45 2.068 0.398 10.834
180 HA SER 45 HA SER 45 4.165 -0.103 10.619
181 QB SER 45 QB SER 45 4.105 1.708 8.628
182 H GLY 46 HN GLY 46 4.284 1.641 12.958
183 QA GLY 46 QA GLY 46 6.554 2.416 13.359
184 H GLY 47 HN GLY 47 5.817 4.305 11.091
185 QA GLY 47 QA GLY 47 5.210 6.526 12.250
186 H LYS 48 HN LYS 48 7.483 5.212 10.462
187 HA LYS 48 HA LYS 48 7.543 7.547 8.670
188 QB LYS 48 QB LYS 48 9.597 6.897 10.081
189 QG LYS 48 QG LYS 48 10.136 7.178 7.649
190 QD LYS 48 QD LYS 48 12.156 7.540 8.887
191 QE LYS 48 QE LYS 48 11.699 9.819 9.084
192 H ILE 49 HN ILE 49 6.208 6.380 7.111
193 HA ILE 49 HA ILE 49 7.791 4.310 5.818
194 HB ILE 49 HB ILE 49 4.846 3.923 5.858
195 QG1 ILE 49 QG1 ILE 49 6.240 2.939 7.969
196 QG2 ILE 49 QG2 ILE 49 6.261 2.018 5.282
197 QD1 ILE 49 QD1 ILE 49 4.521 4.442 8.456
198 H ASN 50 HN ASN 50 6.792 4.012 3.424
199 HA ASN 50 HA ASN 50 5.282 6.115 2.394
200 QB ASN 50 QB ASN 50 7.918 6.609 1.782
201 H LEU 51 HN LEU 51 5.709 6.169 -0.220
202 HA LEU 51 HA LEU 51 5.070 3.601 -1.077
203 HG LEU 51 HG LEU 51 3.641 5.302 -3.797
204 QB LEU 51 QB LEU 51 5.500 5.780 -2.575
205 QD1 LEU 51 QD1 LEU 51 5.367 4.453 -5.283
206 QD2 LEU 51 QD2 LEU 51 3.500 2.949 -3.241
207 QQD LEU 51 QQD LEU 51 4.496 3.675 -4.225
208 H LYS 52 HN LYS 52 6.256 2.844 -3.208
209 HA LYS 52 HA LYS 52 8.755 2.644 -3.707
210 QB LYS 52 QB LYS 52 8.832 0.923 -1.608
211 QG LYS 52 QG LYS 52 10.901 1.196 -2.663
212 QD LYS 52 QD LYS 52 10.392 3.478 -1.794
213 QE LYS 52 QE LYS 52 12.710 3.074 -2.622
214 H HIS 53 HN HIS 53 8.276 2.094 -5.558
215 HA HIS 53 HA HIS 53 6.012 1.095 -6.714
216 HD1 HIS 53 HD1 HIS 53 9.520 -0.228 -6.507
217 HD2 HIS 53 HD2 HIS 53 9.990 3.091 -9.016
218 HE1 HIS 53 HE1 HIS 53 12.030 0.219 -6.633
219 QB HIS 53 QB HIS 53 7.382 1.869 -8.202
220 NH1 ARG 54 NH1 ARG 54 12.666 -1.931 -6.120
221 NH2 ARG 54 NH2 ARG 54 13.805 -3.528 -7.339
222 H ARG 54 HN ARG 54 7.884 -0.818 -8.460
223 HA ARG 54 HA ARG 54 6.364 -2.913 -7.967
224 QB ARG 54 QB ARG 54 8.034 -3.716 -9.463
225 QG ARG 54 QG ARG 54 9.740 -2.064 -9.501
226 QD ARG 54 QD ARG 54 10.659 -3.995 -8.200
227 H GLY 55 HN GLY 55 6.358 -4.913 -6.984
228 QA GLY 55 QA GLY 55 6.802 -5.703 -4.924
229 H LYS 56 HN LYS 56 8.590 -7.527 -6.177
230 HA LYS 56 HA LYS 56 10.477 -7.847 -4.261
231 QB LYS 56 QB LYS 56 10.943 -8.674 -6.786
232 QG LYS 56 QG LYS 56 11.205 -10.427 -5.273
233 QD LYS 56 QD LYS 56 8.796 -10.394 -5.053
234 QE LYS 56 QE LYS 56 9.241 -9.348 -2.954
235 H CYS 57 HN CYS 57 12.156 -6.681 -3.501
236 HA CYS 57 HA CYS 57 13.061 -4.449 -5.145
237 QB CYS 57 QB CYS 57 13.533 -4.465 -2.499
Start of MODEL 5
Raw file had 237 H/Q atoms
1 H PCA 1 HN PCA 1 0.376 15.643 -14.054
2 HA PCA 1 HA PCA 1 2.147 13.854 -14.166
3 QB PCA 1 QB PCA 1 2.557 13.284 -11.769
4 QG PCA 1 QG PCA 1 2.846 15.507 -11.126
5 H GLY 2 HN GLY 2 -0.817 14.032 -12.328
6 QA GLY 2 QA GLY 2 -2.130 12.158 -13.331
7 H ALA 3 HN ALA 3 -1.350 13.296 -10.516
8 HA ALA 3 HA ALA 3 -1.493 12.647 -8.407
9 QB ALA 3 QB ALA 3 -3.667 11.516 -8.747
10 H GLN 4 HN GLN 4 -1.458 10.597 -6.866
11 HA GLN 4 HA GLN 4 -0.018 8.448 -8.167
12 QB GLN 4 QB GLN 4 1.693 9.467 -6.972
13 QG GLN 4 QG GLN 4 1.369 9.392 -4.689
14 H VAL 5 HN VAL 5 0.585 7.068 -5.694
15 HA VAL 5 HA VAL 5 -2.064 6.126 -5.084
16 HB VAL 5 HB VAL 5 0.680 5.400 -4.033
17 QG1 VAL 5 QG1 VAL 5 -1.120 3.948 -3.195
18 QG2 VAL 5 QG2 VAL 5 0.035 4.218 -6.083
19 QQG VAL 5 QQG VAL 5 -0.565 4.100 -4.646
20 H ASP 6 HN ASP 6 -3.186 6.344 -3.121
21 HA ASP 6 HA ASP 6 -1.896 8.129 -1.196
22 QB ASP 6 QB ASP 6 -4.490 8.619 -1.929
23 H CYS 7 HN CYS 7 -3.859 8.151 0.793
24 HA CYS 7 HA CYS 7 -4.198 5.287 1.401
25 QB CYS 7 QB CYS 7 -3.858 7.199 3.292
26 H ALA 8 HN ALA 8 -5.617 8.256 2.322
27 HA ALA 8 HA ALA 8 -8.178 7.225 2.938
28 QB ALA 8 QB ALA 8 -7.884 9.690 2.915
29 H GLU 9 HN GLU 9 -6.772 8.027 -0.191
30 HA GLU 9 HA GLU 9 -8.987 8.571 -1.660
31 QB GLU 9 QB GLU 9 -6.894 7.275 -2.761
32 QG GLU 9 QG GLU 9 -6.714 9.491 -3.416
33 H PHE 10 HN PHE 10 -7.684 5.337 -0.678
34 HA PHE 10 HA PHE 10 -9.642 4.057 -2.366
35 HZ PHE 10 HZ PHE 10 -7.273 0.292 3.197
36 QB PHE 10 QB PHE 10 -7.610 2.933 -1.907
37 QB PHE 10 QB PHE 10 -7.610 2.933 -1.907
38 H LYS 11 HN LYS 11 -10.577 5.622 0.080
39 HA LYS 11 HA LYS 11 -11.663 3.591 1.795
40 QB LYS 11 QB LYS 11 -11.449 6.214 2.183
41 QG LYS 11 QG LYS 11 -13.061 5.742 3.762
42 QD LYS 11 QD LYS 11 -12.457 3.715 4.602
43 QE LYS 11 QE LYS 11 -10.135 4.453 4.444
44 H ASP 12 HN ASP 12 -12.554 3.505 -1.021
45 HA ASP 12 HA ASP 12 -14.694 4.934 -1.626
46 QB ASP 12 QB ASP 12 -14.874 2.622 -2.811
47 HA PRO 13 HA PRO 13 -14.128 1.462 -0.682
48 QB PRO 13 QB PRO 13 -14.582 0.252 1.277
49 QG PRO 13 QG PRO 13 -16.827 0.269 1.924
50 QD PRO 13 QD PRO 13 -17.818 1.861 0.550
51 H LYS 14 HN LYS 14 -15.109 -1.522 -0.541
52 HA LYS 14 HA LYS 14 -16.227 -2.978 -1.683
53 QB LYS 14 QB LYS 14 -16.990 -1.320 -3.648
54 QG LYS 14 QG LYS 14 -18.572 -2.994 -3.340
55 QD LYS 14 QD LYS 14 -16.848 -4.479 -4.264
56 QE LYS 14 QE LYS 14 -17.789 -5.284 -2.090
57 H VAL 15 HN VAL 15 -13.640 -2.750 -1.093
58 HA VAL 15 HA VAL 15 -12.429 -4.262 -3.197
59 HB VAL 15 HB VAL 15 -11.581 -1.470 -2.520
60 QG1 VAL 15 QG1 VAL 15 -9.536 -2.820 -2.615
61 QG2 VAL 15 QG2 VAL 15 -11.579 -2.172 -4.866
62 QQG VAL 15 QQG VAL 15 -10.570 -2.523 -3.737
63 OH TYR 16 OH TYR 16 -12.861 -10.583 4.184
64 H TYR 16 HN TYR 16 -11.520 -5.960 -2.076
65 HA TYR 16 HA TYR 16 -11.410 -5.705 0.781
66 QB TYR 16 QB TYR 16 -11.000 -7.889 -0.880
67 QB TYR 16 QB TYR 16 -11.000 -7.889 -0.880
68 H CYS 17 HN CYS 17 -9.300 -7.254 1.624
69 HA CYS 17 HA CYS 17 -6.977 -5.704 0.717
70 QB CYS 17 QB CYS 17 -6.795 -6.087 3.245
71 H THR 18 HN THR 18 -4.879 -6.816 1.525
72 HA THR 18 HA THR 18 -3.502 -8.449 1.000
73 HB THR 18 HB THR 18 -4.096 -8.692 3.400
74 QG2 THR 18 QG2 THR 18 -5.855 -10.447 3.258
75 NH1 ARG 19 NH1 ARG 19 -4.014 -13.548 -1.076
76 NH2 ARG 19 NH2 ARG 19 -3.908 -13.956 -3.357
77 H ARG 19 HN ARG 19 -5.261 -8.284 -1.156
78 HA ARG 19 HA ARG 19 -5.019 -11.038 -1.901
79 QB ARG 19 QB ARG 19 -7.491 -10.282 -1.584
80 QG ARG 19 QG ARG 19 -8.123 -11.486 -3.382
81 QD ARG 19 QD ARG 19 -6.244 -12.558 -4.158
82 H GLU 20 HN GLU 20 -6.958 -9.204 -4.207
83 HA GLU 20 HA GLU 20 -4.619 -9.134 -5.861
84 QB GLU 20 QB GLU 20 -6.289 -9.046 -7.380
85 QG GLU 20 QG GLU 20 -8.445 -9.284 -6.768
86 H SER 21 HN SER 21 -3.500 -7.298 -4.676
87 HA SER 21 HA SER 21 -4.297 -4.991 -6.124
88 QB SER 21 QB SER 21 -4.346 -3.995 -3.701
89 H ASN 22 HN ASN 22 -2.229 -6.454 -6.578
90 HA ASN 22 HA ASN 22 -0.254 -6.529 -7.155
91 QB ASN 22 QB ASN 22 -0.342 -4.412 -8.045
92 HA PRO 23 HA PRO 23 2.643 -6.195 -3.700
93 QB PRO 23 QB PRO 23 4.323 -7.650 -4.685
94 QG PRO 23 QG PRO 23 3.315 -8.654 -6.500
95 QD PRO 23 QD PRO 23 2.667 -6.461 -7.628
96 H HIS 24 HN HIS 24 4.212 -4.782 -2.914
97 HA HIS 24 HA HIS 24 5.670 -3.213 -4.835
98 HD1 HIS 24 HD1 HIS 24 3.658 -2.706 -1.324
99 HD2 HIS 24 HD2 HIS 24 1.213 -1.849 -4.627
100 HE1 HIS 24 HE1 HIS 24 1.257 -2.618 -0.460
101 QB HIS 24 QB HIS 24 4.327 -1.397 -4.295
102 H CYS 25 HN CYS 25 7.503 -2.139 -3.847
103 HA CYS 25 HA CYS 25 8.313 -3.437 -1.453
104 QB CYS 25 QB CYS 25 9.864 -2.477 -3.068
105 H GLY 26 HN GLY 26 8.507 -2.518 0.650
106 QA GLY 26 QA GLY 26 7.247 -0.581 1.599
107 H SER 27 HN SER 27 8.069 1.671 2.441
108 HA SER 27 HA SER 27 10.921 1.576 2.158
109 QB SER 27 QB SER 27 10.231 3.812 2.195
110 H ASN 28 HN ASN 28 11.366 -0.138 3.560
111 HA ASN 28 HA ASN 28 11.941 0.731 6.196
112 QB ASN 28 QB ASN 28 9.973 -1.166 6.067
113 H GLY 29 HN GLY 29 11.381 -2.070 3.977
114 QA GLY 29 QA GLY 29 13.754 -3.019 3.814
115 H GLU 30 HN GLU 30 10.910 -3.553 2.749
116 HA GLU 30 HA GLU 30 11.223 -6.367 2.666
117 QB GLU 30 QB GLU 30 9.484 -5.590 4.596
118 QG GLU 30 QG GLU 30 10.060 -7.920 3.884
119 H THR 31 HN THR 31 9.166 -7.398 1.661
120 HA THR 31 HA THR 31 8.214 -5.600 -0.428
121 HB THR 31 HB THR 31 7.827 -8.603 -0.029
122 QG2 THR 31 QG2 THR 31 7.403 -7.664 -2.298
123 OH TYR 32 OH TYR 32 4.592 -1.342 6.333
124 H TYR 32 HN TYR 32 6.444 -4.413 0.039
125 HA TYR 32 HA TYR 32 4.571 -5.391 1.996
126 QB TYR 32 QB TYR 32 4.381 -3.027 0.542
127 QB TYR 32 QB TYR 32 4.381 -3.027 0.542
128 H GLY 33 HN GLY 33 2.419 -6.008 1.681
129 QA GLY 33 QA GLY 33 1.341 -7.275 0.074
130 H ASN 34 HN ASN 34 -1.042 -6.177 -0.193
131 HA ASN 34 HA ASN 34 -1.064 -5.049 -2.822
132 QB ASN 34 QB ASN 34 -3.327 -5.339 -1.628
133 H LYS 35 HN LYS 35 -2.812 -3.209 -2.735
134 HA LYS 35 HA LYS 35 -1.737 -0.916 -1.524
135 QB LYS 35 QB LYS 35 -4.056 -1.116 -2.911
136 QG LYS 35 QG LYS 35 -2.261 0.469 -3.508
137 QD LYS 35 QD LYS 35 -4.209 1.808 -3.641
138 QE LYS 35 QE LYS 35 -4.228 2.596 -1.504
139 H CYS 36 HN CYS 36 -4.635 -2.943 -0.717
140 HA CYS 36 HA CYS 36 -5.512 -1.259 1.312
141 QB CYS 36 QB CYS 36 -6.303 -3.776 0.840
142 H ALA 37 HN ALA 37 -3.534 -4.306 1.526
143 HA ALA 37 HA ALA 37 -3.050 -4.170 4.254
144 QB ALA 37 QB ALA 37 -1.651 -5.652 2.871
145 H PHE 38 HN PHE 38 -1.419 -2.532 1.498
146 HA PHE 38 HA PHE 38 0.753 -1.601 2.963
147 HZ PHE 38 HZ PHE 38 4.176 2.828 0.655
148 QB PHE 38 QB PHE 38 -0.146 -1.001 0.502
149 QB PHE 38 QB PHE 38 -0.146 -1.001 0.502
150 H CYS 39 HN CYS 39 -2.135 0.374 1.917
151 HA CYS 39 HA CYS 39 -1.370 2.515 3.518
152 QB CYS 39 QB CYS 39 -3.511 2.483 2.116
153 H LYS 40 HN LYS 40 -3.604 -0.246 4.223
154 HA LYS 40 HA LYS 40 -4.473 0.601 6.689
155 QB LYS 40 QB LYS 40 -4.328 -2.050 6.208
156 QG LYS 40 QG LYS 40 -6.357 -1.032 5.448
157 QD LYS 40 QD LYS 40 -6.808 -0.825 7.803
158 QE LYS 40 QE LYS 40 -8.306 -2.598 7.272
159 H ALA 41 HN ALA 41 -1.372 -1.003 5.828
160 HA ALA 41 HA ALA 41 -0.550 -1.308 8.525
161 QB ALA 41 QB ALA 41 1.069 -1.800 6.709
162 H VAL 42 HN VAL 42 0.437 0.979 5.882
163 HA VAL 42 HA VAL 42 2.096 2.562 7.253
164 HB VAL 42 HB VAL 42 0.007 3.115 5.109
165 QG1 VAL 42 QG1 VAL 42 1.299 5.151 5.509
166 QG2 VAL 42 QG2 VAL 42 2.201 2.432 4.276
167 QQG VAL 42 QQG VAL 42 1.785 3.776 4.955
168 H MET 43 HN MET 43 -1.443 2.580 7.610
169 HA MET 43 HA MET 43 -1.670 5.110 8.611
170 QB MET 43 QB MET 43 -3.593 3.785 8.679
171 QG MET 43 QG MET 43 -3.355 2.141 10.396
172 QE MET 43 QE MET 43 -4.714 2.259 13.048
173 H LYS 44 HN LYS 44 -0.921 2.123 10.547
174 HA LYS 44 HA LYS 44 -0.314 3.765 12.847
175 QB LYS 44 QB LYS 44 -0.994 1.291 12.795
176 QG LYS 44 QG LYS 44 0.689 1.768 14.544
177 QD LYS 44 QD LYS 44 1.256 -0.433 14.523
178 QE LYS 44 QE LYS 44 -0.744 -0.873 13.141
179 H SER 45 HN SER 45 1.413 1.132 11.057
180 HA SER 45 HA SER 45 3.475 0.526 11.168
181 QB SER 45 QB SER 45 3.491 2.534 9.363
182 H GLY 46 HN GLY 46 4.254 4.060 11.154
183 QA GLY 46 QA GLY 46 5.845 3.911 13.235
184 H GLY 47 HN GLY 47 5.619 5.312 10.366
185 QA GLY 47 QA GLY 47 6.259 7.739 10.901
186 H LYS 48 HN LYS 48 5.397 7.505 8.256
187 HA LYS 48 HA LYS 48 6.113 7.643 6.204
188 QB LYS 48 QB LYS 48 8.679 8.005 6.644
189 QG LYS 48 QG LYS 48 7.601 10.006 7.398
190 QD LYS 48 QD LYS 48 7.633 10.166 4.924
191 QE LYS 48 QE LYS 48 6.145 11.852 5.709
192 H ILE 49 HN ILE 49 5.468 5.804 5.280
193 HA ILE 49 HA ILE 49 7.405 3.666 5.224
194 HB ILE 49 HB ILE 49 4.559 2.907 5.659
195 QG1 ILE 49 QG1 ILE 49 5.950 3.187 7.929
196 QG2 ILE 49 QG2 ILE 49 6.332 1.211 5.832
197 QD1 ILE 49 QD1 ILE 49 4.129 4.622 7.641
198 H ASN 50 HN ASN 50 7.220 5.493 3.257
199 HA ASN 50 HA ASN 50 5.146 5.268 1.448
200 QB ASN 50 QB ASN 50 7.663 6.230 0.898
201 H LEU 51 HN LEU 51 5.431 4.530 -0.902
202 HA LEU 51 HA LEU 51 6.737 1.908 -0.962
203 HG LEU 51 HG LEU 51 4.984 3.667 -3.676
204 QB LEU 51 QB LEU 51 4.559 1.852 -1.726
205 QD1 LEU 51 QD1 LEU 51 5.361 1.529 -4.789
206 QD2 LEU 51 QD2 LEU 51 2.708 2.779 -3.683
207 QQD LEU 51 QQD LEU 51 4.040 2.124 -4.191
208 H LYS 52 HN LYS 52 7.783 1.414 -3.163
209 HA LYS 52 HA LYS 52 8.486 3.809 -4.632
210 QB LYS 52 QB LYS 52 10.674 2.733 -3.465
211 QG LYS 52 QG LYS 52 10.032 5.133 -3.497
212 QD LYS 52 QD LYS 52 11.448 4.680 -1.572
213 QE LYS 52 QE LYS 52 9.568 5.008 -0.227
214 H HIS 53 HN HIS 53 10.305 0.707 -4.389
215 HA HIS 53 HA HIS 53 10.006 0.498 -7.255
216 HD1 HIS 53 HD1 HIS 53 12.280 1.451 -4.683
217 HD2 HIS 53 HD2 HIS 53 12.652 -2.710 -4.457
218 HE1 HIS 53 HE1 HIS 53 13.849 0.990 -2.724
219 QB HIS 53 QB HIS 53 11.680 -1.033 -6.841
220 NH1 ARG 54 NH1 ARG 54 5.810 -6.264 -6.775
221 NH2 ARG 54 NH2 ARG 54 4.916 -7.437 -8.566
222 H ARG 54 HN ARG 54 9.169 -1.250 -8.436
223 HA ARG 54 HA ARG 54 6.954 -2.468 -7.081
224 QB ARG 54 QB ARG 54 7.392 -2.117 -9.744
225 QG ARG 54 QG ARG 54 5.114 -2.539 -9.234
226 QD ARG 54 QD ARG 54 5.925 -4.724 -10.030
227 H GLY 55 HN GLY 55 7.578 -4.368 -5.974
228 QA GLY 55 QA GLY 55 8.686 -6.437 -7.027
229 H LYS 56 HN LYS 56 10.493 -7.734 -5.864
230 HA LYS 56 HA LYS 56 10.096 -7.400 -3.067
231 QB LYS 56 QB LYS 56 11.298 -9.289 -3.503
232 QG LYS 56 QG LYS 56 12.903 -8.585 -5.235
233 QD LYS 56 QD LYS 56 13.897 -9.785 -3.295
234 QE LYS 56 QE LYS 56 15.634 -9.090 -4.819
235 H CYS 57 HN CYS 57 10.909 -5.898 -1.723
236 HA CYS 57 HA CYS 57 12.458 -3.807 -2.797
237 QB CYS 57 QB CYS 57 11.454 -4.056 -0.332
DONE!
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