data_18437
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18437
_Entry.PDB_ID 2LSM
save_
save_delta_chem_shifts
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts
_Entity_delta_chem_shifts.Model_type single
_Entity_delta_chem_shifts.Entry_ID 18437
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 ASP N N 73 119.729 119.729 117.829 1.900 18437
2 1 1 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.818 -0.198 18437
3 1 1 . 1 1 2 2 ASP CA C 73 54.246 54.246 54.217 0.029 18437
4 1 1 . 1 1 2 2 ASP CB C 73 41.077 41.077 41.437 -0.360 18437
5 1 1 . 1 1 2 2 ASP H H 73 8.508 8.508 8.543 -0.035 18437
6 1 1 . 1 1 3 3 THR N N 74 114.613 114.613 113.727 0.886 18437
7 1 1 . 1 1 3 3 THR HA H 74 4.328 4.328 4.465 -0.137 18437
8 1 1 . 1 1 3 3 THR CA C 74 62.046 62.046 62.128 -0.082 18437
9 1 1 . 1 1 3 3 THR CB C 74 69.779 69.779 70.701 -0.922 18437
10 1 1 . 1 1 3 3 THR H H 74 8.047 8.047 7.889 0.158 18437
11 1 1 . 1 1 4 4 VAL N N 75 123.803 123.803 121.081 2.722 18437
12 1 1 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.835 0.288 18437
13 1 1 . 1 1 4 4 VAL CA C 75 62.272 62.272 62.921 -0.649 18437
14 1 1 . 1 1 4 4 VAL CB C 75 32.873 32.873 31.206 1.667 18437
15 1 1 . 1 1 4 4 VAL H H 75 8.225 8.225 8.022 0.203 18437
16 1 1 . 1 1 5 5 ILE N N 76 126.050 126.050 121.625 4.425 18437
17 1 1 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.390 -0.218 18437
18 1 1 . 1 1 5 5 ILE CA C 76 60.469 60.469 59.773 0.696 18437
19 1 1 . 1 1 5 5 ILE CB C 76 38.570 38.570 38.146 0.424 18437
20 1 1 . 1 1 5 5 ILE H H 76 8.349 8.349 7.702 0.647 18437
21 1 1 . 1 1 6 6 LEU N N 77 127.505 127.505 130.392 -2.887 18437
22 1 1 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.487 -0.113 18437
23 1 1 . 1 1 6 6 LEU CA C 77 55.042 55.042 54.480 0.562 18437
24 1 1 . 1 1 6 6 LEU CB C 77 42.700 42.700 41.801 0.899 18437
25 1 1 . 1 1 6 6 LEU H H 77 8.408 8.408 8.684 -0.276 18437
26 1 1 . 1 1 7 7 ASP N N 78 122.422 122.422 125.272 -2.850 18437
27 1 1 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.929 -0.120 18437
28 1 1 . 1 1 7 7 ASP CA C 78 53.746 53.746 54.431 -0.685 18437
29 1 1 . 1 1 7 7 ASP CB C 78 41.327 41.327 43.131 -1.804 18437
30 1 1 . 1 1 7 7 ASP H H 78 8.468 8.468 8.393 0.075 18437
31 1 1 . 1 1 8 8 THR N N 79 115.682 115.682 115.142 0.540 18437
32 1 1 . 1 1 8 8 THR HA H 79 4.237 4.237 4.459 -0.222 18437
33 1 1 . 1 1 8 8 THR CA C 79 62.272 62.272 61.444 0.828 18437
34 1 1 . 1 1 8 8 THR CB C 79 68.766 68.766 68.814 -0.048 18437
35 1 1 . 1 1 8 8 THR H H 79 8.447 8.447 8.164 0.283 18437
36 1 1 . 1 1 9 9 SER N N 80 118.485 118.485 116.202 2.283 18437
37 1 1 . 1 1 9 9 SER HA H 80 4.349 4.349 4.077 0.272 18437
38 1 1 . 1 1 9 9 SER CA C 80 60.346 60.346 59.573 0.773 18437
39 1 1 . 1 1 9 9 SER CB C 80 63.372 63.372 62.782 0.590 18437
40 1 1 . 1 1 9 9 SER H H 80 8.521 8.521 8.295 0.226 18437
41 1 1 . 1 1 10 10 GLU N N 81 121.082 121.082 120.106 0.976 18437
42 1 1 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.471 -0.072 18437
43 1 1 . 1 1 10 10 GLU CA C 81 55.946 55.946 55.489 0.457 18437
44 1 1 . 1 1 10 10 GLU CB C 81 30.073 30.073 30.261 -0.188 18437
45 1 1 . 1 1 10 10 GLU H H 81 8.192 8.192 8.226 -0.034 18437
46 1 1 . 1 1 11 11 LEU N N 82 120.855 120.855 122.472 -1.617 18437
47 1 1 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.521 -0.035 18437
48 1 1 . 1 1 11 11 LEU CA C 82 54.319 54.319 55.046 -0.727 18437
49 1 1 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.432 0.870 18437
50 1 1 . 1 1 11 11 LEU H H 82 7.804 7.804 8.373 -0.569 18437
51 1 1 . 1 1 12 12 VAL N N 83 119.700 119.700 119.053 0.647 18437
52 1 1 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.580 -0.151 18437
53 1 1 . 1 1 12 12 VAL CA C 83 60.069 60.069 60.068 0.001 18437
54 1 1 . 1 1 12 12 VAL CB C 83 34.830 34.830 34.847 -0.017 18437
55 1 1 . 1 1 12 12 VAL H H 83 9.270 9.270 8.963 0.307 18437
56 1 1 . 1 1 13 13 THR N N 84 118.866 118.866 123.518 -4.652 18437
57 1 1 . 1 1 13 13 THR HA H 84 4.838 4.838 4.221 0.617 18437
58 1 1 . 1 1 13 13 THR CA C 84 62.246 62.246 63.207 -0.961 18437
59 1 1 . 1 1 13 13 THR CB C 84 68.463 68.463 69.129 -0.666 18437
60 1 1 . 1 1 13 13 THR H H 84 8.380 8.380 8.541 -0.161 18437
61 1 1 . 1 1 14 14 VAL N N 85 120.684 120.684 128.325 -7.641 18437
62 1 1 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.405 0.381 18437
63 1 1 . 1 1 14 14 VAL CA C 85 57.719 57.719 59.873 -2.154 18437
64 1 1 . 1 1 14 14 VAL CB C 85 35.000 35.000 35.285 -0.285 18437
65 1 1 . 1 1 14 14 VAL H H 85 8.678 8.678 8.336 0.342 18437
66 1 1 . 1 1 15 15 VAL N N 86 116.897 116.897 128.988 -12.091 18437
67 1 1 . 1 1 15 15 VAL HA H 86 4.583 4.583 5.007 -0.424 18437
68 1 1 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.492 2.054 18437
69 1 1 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.541 -0.841 18437
70 1 1 . 1 1 15 15 VAL H H 86 8.926 8.926 8.974 -0.048 18437
71 1 1 . 1 1 16 16 ALA N N 87 127.774 127.774 131.056 -3.282 18437
72 1 1 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.522 -0.165 18437
73 1 1 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.401 1.126 18437
74 1 1 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.765 -0.517 18437
75 1 1 . 1 1 16 16 ALA H H 87 8.508 8.508 8.413 0.095 18437
76 1 1 . 1 1 17 17 LEU N N 88 122.162 122.162 121.839 0.323 18437
77 1 1 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.652 -0.087 18437
78 1 1 . 1 1 17 17 LEU CA C 88 55.019 55.019 55.911 -0.892 18437
79 1 1 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.546 0.154 18437
80 1 1 . 1 1 17 17 LEU H H 88 9.104 9.104 8.977 0.127 18437
81 1 1 . 1 1 18 18 VAL N N 89 112.263 112.263 113.602 -1.339 18437
82 1 1 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.475 0.057 18437
83 1 1 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.383 -0.937 18437
84 1 1 . 1 1 18 18 VAL CB C 89 36.300 36.300 35.163 1.137 18437
85 1 1 . 1 1 18 18 VAL H H 89 7.444 7.444 7.573 -0.129 18437
86 1 1 . 1 1 19 19 LYS N N 90 118.799 118.799 122.299 -3.500 18437
87 1 1 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.222 0.360 18437
88 1 1 . 1 1 19 19 LYS CA C 90 56.946 56.946 57.134 -0.188 18437
89 1 1 . 1 1 19 19 LYS CB C 90 32.573 32.573 30.945 1.628 18437
90 1 1 . 1 1 19 19 LYS H H 90 8.198 8.198 8.361 -0.163 18437
91 1 1 . 1 1 20 20 LEU N N 91 124.814 124.814 125.920 -1.106 18437
92 1 1 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.759 -0.009 18437
93 1 1 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.507 -0.375 18437
94 1 1 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.564 -0.164 18437
95 1 1 . 1 1 20 20 LEU H H 91 8.351 8.351 7.875 0.476 18437
96 1 1 . 1 1 21 21 HIS N N 92 121.971 121.971 123.261 -1.290 18437
97 1 1 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.864 0.248 18437
98 1 1 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.004 0.549 18437
99 1 1 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.197 0.030 18437
100 1 1 . 1 1 21 21 HIS H H 92 8.555 8.555 8.575 -0.020 18437
101 1 1 . 1 1 22 22 THR N N 93 119.332 119.332 117.566 1.766 18437
102 1 1 . 1 1 22 22 THR HA H 93 4.492 4.492 4.483 0.009 18437
103 1 1 . 1 1 22 22 THR CA C 93 59.546 59.546 60.471 -0.925 18437
104 1 1 . 1 1 22 22 THR CB C 93 69.472 69.472 70.316 -0.844 18437
105 1 1 . 1 1 22 22 THR H H 93 8.182 8.182 8.017 0.165 18437
106 1 1 . 1 1 23 23 ASP N N 94 121.861 121.861 127.215 -5.354 18437
107 1 1 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.229 -0.250 18437
108 1 1 . 1 1 23 23 ASP CA C 94 53.673 53.673 53.533 0.140 18437
109 1 1 . 1 1 23 23 ASP CB C 94 41.027 41.027 41.146 -0.119 18437
110 1 1 . 1 1 23 23 ASP H H 94 8.133 8.133 8.515 -0.382 18437
111 1 1 . 1 1 24 24 ALA N N 95 125.785 125.785 126.614 -0.829 18437
112 1 1 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.700 0.453 18437
113 1 1 . 1 1 24 24 ALA CA C 95 50.916 50.916 51.014 -0.098 18437
114 1 1 . 1 1 24 24 ALA CB C 95 24.090 24.090 21.928 2.162 18437
115 1 1 . 1 1 24 24 ALA H H 95 7.992 7.992 8.547 -0.555 18437
116 1 1 . 1 1 25 25 LEU N N 96 120.726 120.726 125.401 -4.675 18437
117 1 1 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.483 0.828 18437
118 1 1 . 1 1 25 25 LEU CA C 96 53.416 53.416 53.782 -0.366 18437
119 1 1 . 1 1 25 25 LEU CB C 96 46.000 46.000 42.522 3.478 18437
120 1 1 . 1 1 25 25 LEU H H 96 8.661 8.661 8.603 0.058 18437
121 1 1 . 1 1 26 26 HIS N N 97 121.175 121.175 125.516 -4.341 18437
122 1 1 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.372 -0.103 18437
123 1 1 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.782 1.534 18437
124 1 1 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.867 0.106 18437
125 1 1 . 1 1 26 26 HIS H H 97 8.725 8.725 8.098 0.627 18437
126 1 1 . 1 1 27 27 ALA N N 98 126.618 126.618 129.853 -3.235 18437
127 1 1 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.303 -0.544 18437
128 1 1 . 1 1 27 27 ALA CA C 98 56.672 56.672 54.067 2.605 18437
129 1 1 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.311 0.066 18437
130 1 1 . 1 1 27 27 ALA H H 98 8.260 8.260 8.601 -0.341 18437
131 1 1 . 1 1 28 28 THR N N 99 107.369 107.369 112.001 -4.632 18437
132 1 1 . 1 1 28 28 THR HA H 99 4.584 4.584 4.188 0.396 18437
133 1 1 . 1 1 28 28 THR CA C 99 61.872 61.872 63.677 -1.805 18437
134 1 1 . 1 1 28 28 THR CB C 99 70.442 70.442 68.954 1.488 18437
135 1 1 . 1 1 28 28 THR H H 99 10.304 10.304 8.277 2.027 18437
136 1 1 . 1 1 29 29 ARG N N 100 124.395 124.395 120.321 4.074 18437
137 1 1 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.504 0.063 18437
138 1 1 . 1 1 29 29 ARG CA C 100 55.246 55.246 54.852 0.394 18437
139 1 1 . 1 1 29 29 ARG CB C 100 32.673 32.673 31.496 1.177 18437
140 1 1 . 1 1 29 29 ARG H H 100 9.037 9.037 7.617 1.420 18437
141 1 1 . 1 1 30 30 ASP N N 101 124.596 124.596 120.870 3.726 18437
142 1 1 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.799 -0.066 18437
143 1 1 . 1 1 30 30 ASP CA C 101 52.916 52.916 54.339 -1.423 18437
144 1 1 . 1 1 30 30 ASP CB C 101 38.097 38.097 41.125 -3.028 18437
145 1 1 . 1 1 30 30 ASP H H 101 8.898 8.898 8.501 0.397 18437
146 1 1 . 1 1 31 31 GLU N N 102 121.916 121.916 121.126 0.790 18437
147 1 1 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.650 0.268 18437
148 1 1 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.519 -1.973 18437
149 1 1 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.694 0.368 18437
150 1 1 . 1 1 31 31 GLU H H 102 7.876 7.876 8.310 -0.434 18437
151 1 1 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.445 0.654 18437
152 1 1 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.448 0.241 18437
153 1 1 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.706 0.434 18437
154 1 1 . 1 1 33 33 VAL N N 104 118.661 118.661 120.203 -1.542 18437
155 1 1 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.187 0.216 18437
156 1 1 . 1 1 33 33 VAL CA C 104 61.216 61.216 61.275 -0.059 18437
157 1 1 . 1 1 33 33 VAL CB C 104 35.543 35.543 33.280 2.263 18437
158 1 1 . 1 1 33 33 VAL H H 104 8.362 8.362 8.246 0.116 18437
159 1 1 . 1 1 34 34 ALA N N 105 126.902 126.902 129.544 -2.642 18437
160 1 1 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.546 0.624 18437
161 1 1 . 1 1 34 34 ALA CA C 105 51.622 51.622 52.491 -0.869 18437
162 1 1 . 1 1 34 34 ALA CB C 105 21.017 21.017 21.179 -0.162 18437
163 1 1 . 1 1 34 34 ALA H H 105 8.726 8.726 8.469 0.257 18437
164 1 1 . 1 1 35 35 PHE N N 106 119.156 119.156 114.095 5.061 18437
165 1 1 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.541 0.695 18437
166 1 1 . 1 1 35 35 PHE CA C 106 56.646 56.646 55.109 1.537 18437
167 1 1 . 1 1 35 35 PHE CB C 106 41.300 41.300 41.106 0.194 18437
168 1 1 . 1 1 35 35 PHE H H 106 7.597 7.597 7.058 0.539 18437
169 1 1 . 1 1 36 36 VAL N N 107 120.344 120.344 118.791 1.553 18437
170 1 1 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.309 -0.090 18437
171 1 1 . 1 1 36 36 VAL CA C 107 59.546 59.546 59.048 0.498 18437
172 1 1 . 1 1 36 36 VAL CB C 107 35.200 35.200 33.977 1.223 18437
173 1 1 . 1 1 36 36 VAL H H 107 8.267 8.267 8.468 -0.201 18437
174 1 1 . 1 1 37 37 LEU N N 108 121.820 121.820 120.742 1.078 18437
175 1 1 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.887 -0.458 18437
176 1 1 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.910 -0.044 18437
177 1 1 . 1 1 37 37 LEU CB C 108 41.100 41.100 43.364 -2.264 18437
178 1 1 . 1 1 37 37 LEU H H 108 7.737 7.737 8.366 -0.629 18437
179 1 1 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.536 -0.825 18437
180 1 1 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.533 0.139 18437
181 1 1 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.349 0.724 18437
182 1 1 . 1 1 39 39 GLY N N 110 112.032 112.032 112.039 -0.007 18437
183 1 1 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.292 -0.449 18437
184 1 1 . 1 1 39 39 GLY H H 110 9.026 9.026 8.393 0.633 18437
185 1 1 . 1 1 40 40 THR N N 111 119.141 119.141 120.001 -0.860 18437
186 1 1 . 1 1 40 40 THR HA H 111 4.330 4.330 4.511 -0.181 18437
187 1 1 . 1 1 40 40 THR CA C 111 63.346 63.346 62.122 1.224 18437
188 1 1 . 1 1 40 40 THR CB C 111 69.512 69.512 70.034 -0.522 18437
189 1 1 . 1 1 40 40 THR H H 111 8.039 8.039 7.867 0.172 18437
190 1 1 . 1 1 41 41 ALA N N 112 131.125 131.125 129.551 1.574 18437
191 1 1 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.557 1.150 18437
192 1 1 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.322 -1.010 18437
193 1 1 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.498 0.424 18437
194 1 1 . 1 1 41 41 ALA H H 112 8.900 8.900 8.526 0.374 18437
195 1 1 . 1 1 42 42 PHE N N 113 116.476 116.476 122.078 -5.602 18437
196 1 1 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.926 -0.268 18437
197 1 1 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.322 1.350 18437
198 1 1 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.550 -3.157 18437
199 1 1 . 1 1 42 42 PHE H H 113 9.220 9.220 8.604 0.616 18437
200 1 1 . 1 1 43 43 ARG N N 114 117.116 117.116 123.423 -6.307 18437
201 1 1 . 1 1 43 43 ARG HA H 114 5.640 5.640 5.154 0.486 18437
202 1 1 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.620 -0.550 18437
203 1 1 . 1 1 43 43 ARG CB C 114 34.900 34.900 31.297 3.603 18437
204 1 1 . 1 1 43 43 ARG H H 114 9.145 9.145 8.522 0.623 18437
205 1 1 . 1 1 44 44 VAL N N 115 113.755 113.755 118.032 -4.277 18437
206 1 1 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.645 0.208 18437
207 1 1 . 1 1 44 44 VAL CA C 115 58.772 58.772 58.642 0.130 18437
208 1 1 . 1 1 44 44 VAL CB C 115 37.500 37.500 34.928 2.572 18437
209 1 1 . 1 1 44 44 VAL H H 115 8.441 8.441 8.631 -0.190 18437
210 1 1 . 1 1 45 45 SER N N 116 115.947 115.947 114.232 1.715 18437
211 1 1 . 1 1 45 45 SER HA H 116 4.530 4.530 4.516 0.014 18437
212 1 1 . 1 1 45 45 SER CA C 116 58.168 58.168 57.467 0.701 18437
213 1 1 . 1 1 45 45 SER CB C 116 64.399 64.399 64.232 0.167 18437
214 1 1 . 1 1 45 45 SER H H 116 8.723 8.723 8.460 0.263 18437
215 1 1 . 1 1 46 46 ALA N N 117 123.625 123.625 127.603 -3.978 18437
216 1 1 . 1 1 46 46 ALA HA H 117 3.980 3.980 4.100 -0.120 18437
217 1 1 . 1 1 46 46 ALA CA C 117 55.772 55.772 54.748 1.024 18437
218 1 1 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.791 -0.680 18437
219 1 1 . 1 1 46 46 ALA H H 117 9.143 9.143 8.980 0.163 18437
220 1 1 . 1 1 47 47 GLY N N 118 106.332 106.332 106.830 -0.498 18437
221 1 1 . 1 1 47 47 GLY CA C 118 46.900 46.900 46.436 0.464 18437
222 1 1 . 1 1 47 47 GLY H H 118 8.937 8.937 7.645 1.292 18437
223 1 1 . 1 1 48 48 VAL N N 119 124.965 124.965 122.493 2.472 18437
224 1 1 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.715 0.128 18437
225 1 1 . 1 1 48 48 VAL CA C 119 65.816 65.816 65.425 0.391 18437
226 1 1 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.782 0.185 18437
227 1 1 . 1 1 48 48 VAL H H 119 7.376 7.376 7.419 -0.043 18437
228 1 1 . 1 1 49 49 ALA N N 120 122.605 122.605 121.134 1.471 18437
229 1 1 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.906 -0.234 18437
230 1 1 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.261 0.211 18437
231 1 1 . 1 1 49 49 ALA CB C 120 18.454 18.454 17.901 0.552 18437
232 1 1 . 1 1 49 49 ALA H H 120 8.805 8.805 8.087 0.718 18437
233 1 1 . 1 1 50 50 ALA N N 121 119.852 119.852 120.244 -0.392 18437
234 1 1 . 1 1 50 50 ALA HA H 121 4.088 4.088 4.005 0.083 18437
235 1 1 . 1 1 50 50 ALA CA C 121 54.946 54.946 54.969 -0.023 18437
236 1 1 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.214 -0.536 18437
237 1 1 . 1 1 50 50 ALA H H 121 7.976 7.976 7.841 0.135 18437
238 1 1 . 1 1 51 51 GLU N N 122 118.977 118.977 117.734 1.243 18437
239 1 1 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.126 0.020 18437
240 1 1 . 1 1 51 51 GLU CA C 122 59.272 59.272 58.899 0.373 18437
241 1 1 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.679 0.021 18437
242 1 1 . 1 1 51 51 GLU H H 122 7.369 7.369 7.728 -0.359 18437
243 1 1 . 1 1 52 52 MET N N 123 116.735 116.735 118.063 -1.328 18437
244 1 1 . 1 1 52 52 MET HA H 123 3.941 3.941 4.267 -0.326 18437
245 1 1 . 1 1 52 52 MET CA C 123 60.416 60.416 58.095 2.321 18437
246 1 1 . 1 1 52 52 MET CB C 123 33.973 33.973 31.797 2.176 18437
247 1 1 . 1 1 52 52 MET H H 123 8.794 8.794 8.098 0.696 18437
248 1 1 . 1 1 53 53 THR N N 124 112.866 112.866 110.579 2.287 18437
249 1 1 . 1 1 53 53 THR HA H 124 4.605 4.605 4.366 0.239 18437
250 1 1 . 1 1 53 53 THR CA C 124 64.742 64.742 64.892 -0.150 18437
251 1 1 . 1 1 53 53 THR CB C 124 68.392 68.392 68.483 -0.091 18437
252 1 1 . 1 1 53 53 THR H H 124 8.622 8.622 8.302 0.320 18437
253 1 1 . 1 1 54 54 GLU N N 125 125.722 125.722 120.494 5.228 18437
254 1 1 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.157 -0.014 18437
255 1 1 . 1 1 54 54 GLU CA C 125 59.639 59.639 57.934 1.705 18437
256 1 1 . 1 1 54 54 GLU H H 125 8.054 8.054 7.515 0.539 18437
257 1 1 . 1 1 55 55 ARG N N 126 114.393 114.393 117.854 -3.461 18437
258 1 1 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.268 0.105 18437
259 1 1 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.934 -0.462 18437
260 1 1 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.730 1.069 18437
261 1 1 . 1 1 55 55 ARG H H 126 7.703 7.703 7.953 -0.250 18437
262 1 1 . 1 1 56 56 GLY N N 127 107.070 107.070 105.424 1.646 18437
263 1 1 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.638 0.562 18437
264 1 1 . 1 1 56 56 GLY H H 127 7.759 7.759 8.206 -0.447 18437
265 1 1 . 1 1 57 57 LEU N N 128 116.338 116.338 117.990 -1.652 18437
266 1 1 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.619 -0.248 18437
267 1 1 . 1 1 57 57 LEU CA C 128 55.572 55.572 54.919 0.652 18437
268 1 1 . 1 1 57 57 LEU CB C 128 42.427 42.427 43.014 -0.587 18437
269 1 1 . 1 1 57 57 LEU H H 128 8.293 8.293 7.585 0.708 18437
270 1 1 . 1 1 58 58 ALA N N 129 116.379 116.379 119.166 -2.787 18437
271 1 1 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.981 0.149 18437
272 1 1 . 1 1 58 58 ALA CA C 129 50.142 50.142 50.859 -0.717 18437
273 1 1 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.423 0.885 18437
274 1 1 . 1 1 58 58 ALA H H 129 7.351 7.351 7.397 -0.046 18437
275 1 1 . 1 1 59 59 ARG N N 130 115.969 115.969 120.831 -4.862 18437
276 1 1 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.863 0.059 18437
277 1 1 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.425 -1.236 18437
278 1 1 . 1 1 59 59 ARG CB C 130 33.453 33.453 34.529 -1.077 18437
279 1 1 . 1 1 59 59 ARG H H 130 8.771 8.771 8.873 -0.102 18437
280 1 1 . 1 1 60 60 MET N N 131 120.973 120.973 123.858 -2.885 18437
281 1 1 . 1 1 60 60 MET HA H 131 4.415 4.415 4.476 -0.061 18437
282 1 1 . 1 1 60 60 MET CA C 131 55.677 55.677 56.285 -0.609 18437
283 1 1 . 1 1 60 60 MET CB C 131 31.527 31.527 32.101 -0.574 18437
284 1 1 . 1 1 60 60 MET H H 131 8.910 8.910 8.697 0.213 18437
285 1 2 . 1 1 2 2 ASP N N 73 119.729 119.729 118.120 1.609 18437
286 1 2 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.713 -0.093 18437
287 1 2 . 1 1 2 2 ASP CA C 73 54.246 54.246 55.123 -0.877 18437
288 1 2 . 1 1 2 2 ASP CB C 73 41.077 41.077 41.386 -0.309 18437
289 1 2 . 1 1 2 2 ASP H H 73 8.508 8.508 8.524 -0.016 18437
290 1 2 . 1 1 3 3 THR N N 74 114.613 114.613 115.044 -0.431 18437
291 1 2 . 1 1 3 3 THR HA H 74 4.328 4.328 4.327 0.001 18437
292 1 2 . 1 1 3 3 THR CA C 74 62.046 62.046 62.976 -0.930 18437
293 1 2 . 1 1 3 3 THR CB C 74 69.779 69.779 70.980 -1.201 18437
294 1 2 . 1 1 3 3 THR H H 74 8.047 8.047 7.907 0.140 18437
295 1 2 . 1 1 4 4 VAL N N 75 123.803 123.803 120.806 2.997 18437
296 1 2 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.807 0.316 18437
297 1 2 . 1 1 4 4 VAL CA C 75 62.272 62.272 62.938 -0.666 18437
298 1 2 . 1 1 4 4 VAL CB C 75 32.873 32.873 31.059 1.814 18437
299 1 2 . 1 1 4 4 VAL H H 75 8.225 8.225 7.987 0.238 18437
300 1 2 . 1 1 5 5 ILE N N 76 126.050 126.050 121.842 4.208 18437
301 1 2 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.358 -0.186 18437
302 1 2 . 1 1 5 5 ILE CA C 76 60.469 60.469 59.683 0.786 18437
303 1 2 . 1 1 5 5 ILE CB C 76 38.570 38.570 37.846 0.724 18437
304 1 2 . 1 1 5 5 ILE H H 76 8.349 8.349 7.775 0.574 18437
305 1 2 . 1 1 6 6 LEU N N 77 127.505 127.505 129.023 -1.518 18437
306 1 2 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.623 -0.249 18437
307 1 2 . 1 1 6 6 LEU CA C 77 55.042 55.042 54.472 0.570 18437
308 1 2 . 1 1 6 6 LEU CB C 77 42.700 42.700 42.300 0.400 18437
309 1 2 . 1 1 6 6 LEU H H 77 8.408 8.408 8.467 -0.059 18437
310 1 2 . 1 1 7 7 ASP N N 78 122.422 122.422 124.176 -1.754 18437
311 1 2 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.974 -0.165 18437
312 1 2 . 1 1 7 7 ASP CA C 78 53.746 53.746 54.252 -0.506 18437
313 1 2 . 1 1 7 7 ASP CB C 78 41.327 41.327 43.244 -1.917 18437
314 1 2 . 1 1 7 7 ASP H H 78 8.468 8.468 8.619 -0.151 18437
315 1 2 . 1 1 8 8 THR N N 79 115.682 115.682 113.338 2.344 18437
316 1 2 . 1 1 8 8 THR HA H 79 4.237 4.237 4.434 -0.197 18437
317 1 2 . 1 1 8 8 THR CA C 79 62.272 62.272 62.231 0.041 18437
318 1 2 . 1 1 8 8 THR CB C 79 68.766 68.766 68.778 -0.012 18437
319 1 2 . 1 1 8 8 THR H H 79 8.447 8.447 7.977 0.470 18437
320 1 2 . 1 1 9 9 SER N N 80 118.485 118.485 115.809 2.676 18437
321 1 2 . 1 1 9 9 SER HA H 80 4.349 4.349 4.732 -0.383 18437
322 1 2 . 1 1 9 9 SER CA C 80 60.346 60.346 58.428 1.919 18437
323 1 2 . 1 1 9 9 SER CB C 80 63.372 63.372 64.284 -0.912 18437
324 1 2 . 1 1 9 9 SER H H 80 8.521 8.521 7.907 0.614 18437
325 1 2 . 1 1 10 10 GLU N N 81 121.082 121.082 122.033 -0.951 18437
326 1 2 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.410 -0.011 18437
327 1 2 . 1 1 10 10 GLU CA C 81 55.946 55.946 56.565 -0.619 18437
328 1 2 . 1 1 10 10 GLU CB C 81 30.073 30.073 30.532 -0.459 18437
329 1 2 . 1 1 10 10 GLU H H 81 8.192 8.192 8.335 -0.143 18437
330 1 2 . 1 1 11 11 LEU N N 82 120.855 120.855 122.728 -1.873 18437
331 1 2 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.550 -0.064 18437
332 1 2 . 1 1 11 11 LEU CA C 82 54.319 54.319 54.331 -0.012 18437
333 1 2 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.663 0.639 18437
334 1 2 . 1 1 11 11 LEU H H 82 7.804 7.804 8.154 -0.350 18437
335 1 2 . 1 1 12 12 VAL N N 83 119.700 119.700 119.311 0.389 18437
336 1 2 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.591 -0.162 18437
337 1 2 . 1 1 12 12 VAL CA C 83 60.069 60.069 60.175 -0.106 18437
338 1 2 . 1 1 12 12 VAL CB C 83 34.830 34.830 34.138 0.692 18437
339 1 2 . 1 1 12 12 VAL H H 83 9.270 9.270 9.026 0.244 18437
340 1 2 . 1 1 13 13 THR N N 84 118.866 118.866 123.710 -4.844 18437
341 1 2 . 1 1 13 13 THR HA H 84 4.838 4.838 4.223 0.615 18437
342 1 2 . 1 1 13 13 THR CA C 84 62.246 62.246 63.386 -1.140 18437
343 1 2 . 1 1 13 13 THR CB C 84 68.463 68.463 69.012 -0.549 18437
344 1 2 . 1 1 13 13 THR H H 84 8.380 8.380 8.601 -0.221 18437
345 1 2 . 1 1 14 14 VAL N N 85 120.684 120.684 127.857 -7.173 18437
346 1 2 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.376 0.410 18437
347 1 2 . 1 1 14 14 VAL CA C 85 57.719 57.719 60.117 -2.398 18437
348 1 2 . 1 1 14 14 VAL CB C 85 35.000 35.000 35.247 -0.247 18437
349 1 2 . 1 1 14 14 VAL H H 85 8.678 8.678 8.371 0.306 18437
350 1 2 . 1 1 15 15 VAL N N 86 116.897 116.897 128.338 -11.441 18437
351 1 2 . 1 1 15 15 VAL HA H 86 4.583 4.583 5.042 -0.459 18437
352 1 2 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.632 1.914 18437
353 1 2 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.723 -1.023 18437
354 1 2 . 1 1 15 15 VAL H H 86 8.926 8.926 8.968 -0.042 18437
355 1 2 . 1 1 16 16 ALA N N 87 127.774 127.774 131.021 -3.247 18437
356 1 2 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.520 -0.163 18437
357 1 2 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.398 1.129 18437
358 1 2 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.766 -0.518 18437
359 1 2 . 1 1 16 16 ALA H H 87 8.508 8.508 8.412 0.096 18437
360 1 2 . 1 1 17 17 LEU N N 88 122.162 122.162 122.060 0.102 18437
361 1 2 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.565 -0.000 18437
362 1 2 . 1 1 17 17 LEU CA C 88 55.019 55.019 55.988 -0.969 18437
363 1 2 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.566 0.134 18437
364 1 2 . 1 1 17 17 LEU H H 88 9.104 9.104 8.985 0.119 18437
365 1 2 . 1 1 18 18 VAL N N 89 112.263 112.263 112.605 -0.342 18437
366 1 2 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.421 0.111 18437
367 1 2 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.677 -1.231 18437
368 1 2 . 1 1 18 18 VAL CB C 89 36.300 36.300 35.235 1.065 18437
369 1 2 . 1 1 18 18 VAL H H 89 7.444 7.444 7.558 -0.114 18437
370 1 2 . 1 1 19 19 LYS N N 90 118.799 118.799 122.226 -3.427 18437
371 1 2 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.244 0.338 18437
372 1 2 . 1 1 19 19 LYS CA C 90 56.946 56.946 57.302 -0.356 18437
373 1 2 . 1 1 19 19 LYS CB C 90 32.573 32.573 31.037 1.536 18437
374 1 2 . 1 1 19 19 LYS H H 90 8.198 8.198 8.372 -0.174 18437
375 1 2 . 1 1 20 20 LEU N N 91 124.814 124.814 125.950 -1.136 18437
376 1 2 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.789 -0.039 18437
377 1 2 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.520 -0.388 18437
378 1 2 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.543 -0.143 18437
379 1 2 . 1 1 20 20 LEU H H 91 8.351 8.351 7.871 0.480 18437
380 1 2 . 1 1 21 21 HIS N N 92 121.971 121.971 123.242 -1.271 18437
381 1 2 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.816 0.296 18437
382 1 2 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.218 0.336 18437
383 1 2 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.497 -0.270 18437
384 1 2 . 1 1 21 21 HIS H H 92 8.555 8.555 8.627 -0.072 18437
385 1 2 . 1 1 22 22 THR N N 93 119.332 119.332 117.703 1.629 18437
386 1 2 . 1 1 22 22 THR HA H 93 4.492 4.492 4.508 -0.016 18437
387 1 2 . 1 1 22 22 THR CA C 93 59.546 59.546 60.857 -1.311 18437
388 1 2 . 1 1 22 22 THR CB C 93 69.472 69.472 70.874 -1.402 18437
389 1 2 . 1 1 22 22 THR H H 93 8.182 8.182 7.938 0.244 18437
390 1 2 . 1 1 23 23 ASP N N 94 121.861 121.861 127.619 -5.758 18437
391 1 2 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.251 -0.272 18437
392 1 2 . 1 1 23 23 ASP CA C 94 53.673 53.673 53.541 0.132 18437
393 1 2 . 1 1 23 23 ASP CB C 94 41.027 41.027 41.180 -0.153 18437
394 1 2 . 1 1 23 23 ASP H H 94 8.133 8.133 8.551 -0.418 18437
395 1 2 . 1 1 24 24 ALA N N 95 125.785 125.785 126.428 -0.643 18437
396 1 2 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.724 0.429 18437
397 1 2 . 1 1 24 24 ALA CA C 95 50.916 50.916 51.014 -0.098 18437
398 1 2 . 1 1 24 24 ALA CB C 95 24.090 24.090 21.671 2.419 18437
399 1 2 . 1 1 24 24 ALA H H 95 7.992 7.992 8.533 -0.541 18437
400 1 2 . 1 1 25 25 LEU N N 96 120.726 120.726 125.389 -4.663 18437
401 1 2 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.482 0.829 18437
402 1 2 . 1 1 25 25 LEU CA C 96 53.416 53.416 53.779 -0.363 18437
403 1 2 . 1 1 25 25 LEU CB C 96 46.000 46.000 42.513 3.487 18437
404 1 2 . 1 1 25 25 LEU H H 96 8.661 8.661 8.601 0.060 18437
405 1 2 . 1 1 26 26 HIS N N 97 121.175 121.175 125.508 -4.333 18437
406 1 2 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.370 -0.101 18437
407 1 2 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.797 1.518 18437
408 1 2 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.864 0.109 18437
409 1 2 . 1 1 26 26 HIS H H 97 8.725 8.725 8.099 0.626 18437
410 1 2 . 1 1 27 27 ALA N N 98 126.618 126.618 130.220 -3.602 18437
411 1 2 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.316 -0.557 18437
412 1 2 . 1 1 27 27 ALA CA C 98 56.672 56.672 54.043 2.629 18437
413 1 2 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.173 0.204 18437
414 1 2 . 1 1 27 27 ALA H H 98 8.260 8.260 8.588 -0.328 18437
415 1 2 . 1 1 28 28 THR N N 99 107.369 107.369 111.914 -4.545 18437
416 1 2 . 1 1 28 28 THR HA H 99 4.584 4.584 4.165 0.419 18437
417 1 2 . 1 1 28 28 THR CA C 99 61.872 61.872 63.104 -1.232 18437
418 1 2 . 1 1 28 28 THR CB C 99 70.442 70.442 69.180 1.262 18437
419 1 2 . 1 1 28 28 THR H H 99 10.304 10.304 8.070 2.234 18437
420 1 2 . 1 1 29 29 ARG N N 100 124.395 124.395 120.076 4.319 18437
421 1 2 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.460 0.107 18437
422 1 2 . 1 1 29 29 ARG CA C 100 55.246 55.246 54.512 0.734 18437
423 1 2 . 1 1 29 29 ARG CB C 100 32.673 32.673 31.225 1.448 18437
424 1 2 . 1 1 29 29 ARG H H 100 9.037 9.037 7.717 1.320 18437
425 1 2 . 1 1 30 30 ASP N N 101 124.596 124.596 120.893 3.703 18437
426 1 2 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.823 -0.090 18437
427 1 2 . 1 1 30 30 ASP CA C 101 52.916 52.916 53.579 -0.663 18437
428 1 2 . 1 1 30 30 ASP CB C 101 38.097 38.097 40.099 -2.002 18437
429 1 2 . 1 1 30 30 ASP H H 101 8.898 8.898 8.445 0.453 18437
430 1 2 . 1 1 31 31 GLU N N 102 121.916 121.916 122.031 -0.115 18437
431 1 2 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.643 0.275 18437
432 1 2 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.277 -1.731 18437
433 1 2 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.466 0.596 18437
434 1 2 . 1 1 31 31 GLU H H 102 7.876 7.876 8.216 -0.340 18437
435 1 2 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.435 0.664 18437
436 1 2 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.505 0.184 18437
437 1 2 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.509 0.631 18437
438 1 2 . 1 1 33 33 VAL N N 104 118.661 118.661 120.216 -1.555 18437
439 1 2 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.165 0.238 18437
440 1 2 . 1 1 33 33 VAL CA C 104 61.216 61.216 60.905 0.311 18437
441 1 2 . 1 1 33 33 VAL CB C 104 35.543 35.543 32.814 2.729 18437
442 1 2 . 1 1 33 33 VAL H H 104 8.362 8.362 8.158 0.204 18437
443 1 2 . 1 1 34 34 ALA N N 105 126.902 126.902 129.217 -2.315 18437
444 1 2 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.577 0.593 18437
445 1 2 . 1 1 34 34 ALA CA C 105 51.622 51.622 52.237 -0.615 18437
446 1 2 . 1 1 34 34 ALA CB C 105 21.017 21.017 21.043 -0.026 18437
447 1 2 . 1 1 34 34 ALA H H 105 8.726 8.726 8.387 0.339 18437
448 1 2 . 1 1 35 35 PHE N N 106 119.156 119.156 113.479 5.677 18437
449 1 2 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.456 0.780 18437
450 1 2 . 1 1 35 35 PHE CA C 106 56.646 56.646 55.124 1.522 18437
451 1 2 . 1 1 35 35 PHE CB C 106 41.300 41.300 40.712 0.588 18437
452 1 2 . 1 1 35 35 PHE H H 106 7.597 7.597 6.945 0.652 18437
453 1 2 . 1 1 36 36 VAL N N 107 120.344 120.344 118.848 1.496 18437
454 1 2 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.308 -0.089 18437
455 1 2 . 1 1 36 36 VAL CA C 107 59.546 59.546 59.070 0.476 18437
456 1 2 . 1 1 36 36 VAL CB C 107 35.200 35.200 33.936 1.264 18437
457 1 2 . 1 1 36 36 VAL H H 107 8.267 8.267 8.416 -0.149 18437
458 1 2 . 1 1 37 37 LEU N N 108 121.820 121.820 120.806 1.014 18437
459 1 2 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.883 -0.454 18437
460 1 2 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.938 -0.072 18437
461 1 2 . 1 1 37 37 LEU CB C 108 41.100 41.100 43.328 -2.228 18437
462 1 2 . 1 1 37 37 LEU H H 108 7.737 7.737 8.362 -0.625 18437
463 1 2 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.533 -0.822 18437
464 1 2 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.529 0.143 18437
465 1 2 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.345 0.728 18437
466 1 2 . 1 1 39 39 GLY N N 110 112.032 112.032 111.963 0.069 18437
467 1 2 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.269 -0.426 18437
468 1 2 . 1 1 39 39 GLY H H 110 9.026 9.026 8.368 0.658 18437
469 1 2 . 1 1 40 40 THR N N 111 119.141 119.141 119.561 -0.420 18437
470 1 2 . 1 1 40 40 THR HA H 111 4.330 4.330 4.463 -0.133 18437
471 1 2 . 1 1 40 40 THR CA C 111 63.346 63.346 62.017 1.329 18437
472 1 2 . 1 1 40 40 THR CB C 111 69.512 69.512 70.092 -0.580 18437
473 1 2 . 1 1 40 40 THR H H 111 8.039 8.039 7.909 0.130 18437
474 1 2 . 1 1 41 41 ALA N N 112 131.125 131.125 129.526 1.599 18437
475 1 2 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.567 1.140 18437
476 1 2 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.213 -0.901 18437
477 1 2 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.501 0.421 18437
478 1 2 . 1 1 41 41 ALA H H 112 8.900 8.900 8.590 0.310 18437
479 1 2 . 1 1 42 42 PHE N N 113 116.476 116.476 121.581 -5.105 18437
480 1 2 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.888 -0.230 18437
481 1 2 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.394 1.278 18437
482 1 2 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.649 -3.256 18437
483 1 2 . 1 1 42 42 PHE H H 113 9.220 9.220 8.621 0.599 18437
484 1 2 . 1 1 43 43 ARG N N 114 117.116 117.116 123.169 -6.053 18437
485 1 2 . 1 1 43 43 ARG HA H 114 5.640 5.640 5.109 0.531 18437
486 1 2 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.642 -0.573 18437
487 1 2 . 1 1 43 43 ARG CB C 114 34.900 34.900 31.142 3.758 18437
488 1 2 . 1 1 43 43 ARG H H 114 9.145 9.145 8.518 0.627 18437
489 1 2 . 1 1 44 44 VAL N N 115 113.755 113.755 116.615 -2.860 18437
490 1 2 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.602 0.251 18437
491 1 2 . 1 1 44 44 VAL CA C 115 58.772 58.772 59.625 -0.853 18437
492 1 2 . 1 1 44 44 VAL CB C 115 37.500 37.500 35.513 1.987 18437
493 1 2 . 1 1 44 44 VAL H H 115 8.441 8.441 8.649 -0.208 18437
494 1 2 . 1 1 45 45 SER N N 116 115.947 115.947 114.641 1.306 18437
495 1 2 . 1 1 45 45 SER HA H 116 4.530 4.530 4.479 0.051 18437
496 1 2 . 1 1 45 45 SER CA C 116 58.168 58.168 58.169 -0.001 18437
497 1 2 . 1 1 45 45 SER CB C 116 64.399 64.399 64.351 0.048 18437
498 1 2 . 1 1 45 45 SER H H 116 8.723 8.723 8.474 0.249 18437
499 1 2 . 1 1 46 46 ALA N N 117 123.625 123.625 127.399 -3.774 18437
500 1 2 . 1 1 46 46 ALA HA H 117 3.980 3.980 4.108 -0.128 18437
501 1 2 . 1 1 46 46 ALA CA C 117 55.772 55.772 54.779 0.993 18437
502 1 2 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.733 -0.623 18437
503 1 2 . 1 1 46 46 ALA H H 117 9.143 9.143 9.036 0.107 18437
504 1 2 . 1 1 47 47 GLY N N 118 106.332 106.332 106.786 -0.454 18437
505 1 2 . 1 1 47 47 GLY CA C 118 46.900 46.900 46.332 0.568 18437
506 1 2 . 1 1 47 47 GLY H H 118 8.937 8.937 7.671 1.266 18437
507 1 2 . 1 1 48 48 VAL N N 119 124.965 124.965 123.519 1.446 18437
508 1 2 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.717 0.126 18437
509 1 2 . 1 1 48 48 VAL CA C 119 65.816 65.816 65.043 0.773 18437
510 1 2 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.278 0.689 18437
511 1 2 . 1 1 48 48 VAL H H 119 7.376 7.376 7.779 -0.403 18437
512 1 2 . 1 1 49 49 ALA N N 120 122.605 122.605 121.760 0.845 18437
513 1 2 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.908 -0.236 18437
514 1 2 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.362 0.110 18437
515 1 2 . 1 1 49 49 ALA CB C 120 18.454 18.454 17.985 0.469 18437
516 1 2 . 1 1 49 49 ALA H H 120 8.805 8.805 8.142 0.663 18437
517 1 2 . 1 1 50 50 ALA N N 121 119.852 119.852 120.247 -0.395 18437
518 1 2 . 1 1 50 50 ALA HA H 121 4.088 4.088 4.018 0.070 18437
519 1 2 . 1 1 50 50 ALA CA C 121 54.946 54.946 54.901 0.045 18437
520 1 2 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.340 -0.662 18437
521 1 2 . 1 1 50 50 ALA H H 121 7.976 7.976 7.904 0.072 18437
522 1 2 . 1 1 51 51 GLU N N 122 118.977 118.977 118.518 0.459 18437
523 1 2 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.171 -0.025 18437
524 1 2 . 1 1 51 51 GLU CA C 122 59.272 59.272 58.930 0.342 18437
525 1 2 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.528 0.172 18437
526 1 2 . 1 1 51 51 GLU H H 122 7.369 7.369 7.720 -0.351 18437
527 1 2 . 1 1 52 52 MET N N 123 116.735 116.735 117.579 -0.844 18437
528 1 2 . 1 1 52 52 MET HA H 123 3.941 3.941 4.217 -0.276 18437
529 1 2 . 1 1 52 52 MET CA C 123 60.416 60.416 58.058 2.358 18437
530 1 2 . 1 1 52 52 MET CB C 123 33.973 33.973 31.813 2.160 18437
531 1 2 . 1 1 52 52 MET H H 123 8.794 8.794 7.996 0.798 18437
532 1 2 . 1 1 53 53 THR N N 124 112.866 112.866 110.493 2.373 18437
533 1 2 . 1 1 53 53 THR HA H 124 4.605 4.605 4.328 0.277 18437
534 1 2 . 1 1 53 53 THR CA C 124 64.742 64.742 64.912 -0.170 18437
535 1 2 . 1 1 53 53 THR CB C 124 68.392 68.392 68.877 -0.485 18437
536 1 2 . 1 1 53 53 THR H H 124 8.622 8.622 8.307 0.315 18437
537 1 2 . 1 1 54 54 GLU N N 125 125.722 125.722 120.054 5.668 18437
538 1 2 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.181 -0.038 18437
539 1 2 . 1 1 54 54 GLU CA C 125 59.639 59.639 58.143 1.496 18437
540 1 2 . 1 1 54 54 GLU H H 125 8.054 8.054 7.554 0.500 18437
541 1 2 . 1 1 55 55 ARG N N 126 114.393 114.393 117.565 -3.172 18437
542 1 2 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.315 0.058 18437
543 1 2 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.590 -0.118 18437
544 1 2 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.840 0.960 18437
545 1 2 . 1 1 55 55 ARG H H 126 7.703 7.703 7.985 -0.282 18437
546 1 2 . 1 1 56 56 GLY N N 127 107.070 107.070 106.405 0.665 18437
547 1 2 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.829 0.371 18437
548 1 2 . 1 1 56 56 GLY H H 127 7.759 7.759 7.781 -0.022 18437
549 1 2 . 1 1 57 57 LEU N N 128 116.338 116.338 117.741 -1.403 18437
550 1 2 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.629 -0.258 18437
551 1 2 . 1 1 57 57 LEU CA C 128 55.572 55.572 54.905 0.667 18437
552 1 2 . 1 1 57 57 LEU CB C 128 42.427 42.427 43.023 -0.596 18437
553 1 2 . 1 1 57 57 LEU H H 128 8.293 8.293 7.580 0.713 18437
554 1 2 . 1 1 58 58 ALA N N 129 116.379 116.379 119.279 -2.900 18437
555 1 2 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.981 0.149 18437
556 1 2 . 1 1 58 58 ALA CA C 129 50.142 50.142 50.866 -0.724 18437
557 1 2 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.437 0.871 18437
558 1 2 . 1 1 58 58 ALA H H 129 7.351 7.351 7.390 -0.039 18437
559 1 2 . 1 1 59 59 ARG N N 130 115.969 115.969 120.744 -4.775 18437
560 1 2 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.862 0.060 18437
561 1 2 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.425 -1.236 18437
562 1 2 . 1 1 59 59 ARG CB C 130 33.453 33.453 34.558 -1.105 18437
563 1 2 . 1 1 59 59 ARG H H 130 8.771 8.771 8.902 -0.131 18437
564 1 2 . 1 1 60 60 MET N N 131 120.973 120.973 123.377 -2.404 18437
565 1 2 . 1 1 60 60 MET HA H 131 4.415 4.415 4.448 -0.033 18437
566 1 2 . 1 1 60 60 MET CA C 131 55.677 55.677 56.420 -0.743 18437
567 1 2 . 1 1 60 60 MET CB C 131 31.527 31.527 32.359 -0.832 18437
568 1 2 . 1 1 60 60 MET H H 131 8.910 8.910 8.685 0.225 18437
569 1 3 . 1 1 2 2 ASP N N 73 119.729 119.729 119.933 -0.204 18437
570 1 3 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.758 -0.138 18437
571 1 3 . 1 1 2 2 ASP CA C 73 54.246 54.246 54.147 0.099 18437
572 1 3 . 1 1 2 2 ASP CB C 73 41.077 41.077 41.457 -0.380 18437
573 1 3 . 1 1 2 2 ASP H H 73 8.508 8.508 8.471 0.037 18437
574 1 3 . 1 1 3 3 THR N N 74 114.613 114.613 113.958 0.655 18437
575 1 3 . 1 1 3 3 THR HA H 74 4.328 4.328 4.475 -0.147 18437
576 1 3 . 1 1 3 3 THR CA C 74 62.046 62.046 62.515 -0.469 18437
577 1 3 . 1 1 3 3 THR CB C 74 69.779 69.779 70.981 -1.202 18437
578 1 3 . 1 1 3 3 THR H H 74 8.047 8.047 7.940 0.107 18437
579 1 3 . 1 1 4 4 VAL N N 75 123.803 123.803 121.796 2.007 18437
580 1 3 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.802 0.321 18437
581 1 3 . 1 1 4 4 VAL CA C 75 62.272 62.272 63.048 -0.776 18437
582 1 3 . 1 1 4 4 VAL CB C 75 32.873 32.873 31.289 1.584 18437
583 1 3 . 1 1 4 4 VAL H H 75 8.225 8.225 7.892 0.333 18437
584 1 3 . 1 1 5 5 ILE N N 76 126.050 126.050 122.153 3.897 18437
585 1 3 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.340 -0.168 18437
586 1 3 . 1 1 5 5 ILE CA C 76 60.469 60.469 60.689 -0.220 18437
587 1 3 . 1 1 5 5 ILE CB C 76 38.570 38.570 39.133 -0.563 18437
588 1 3 . 1 1 5 5 ILE H H 76 8.349 8.349 7.645 0.704 18437
589 1 3 . 1 1 6 6 LEU N N 77 127.505 127.505 128.509 -1.004 18437
590 1 3 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.613 -0.239 18437
591 1 3 . 1 1 6 6 LEU CA C 77 55.042 55.042 54.738 0.304 18437
592 1 3 . 1 1 6 6 LEU CB C 77 42.700 42.700 42.666 0.034 18437
593 1 3 . 1 1 6 6 LEU H H 77 8.408 8.408 8.462 -0.054 18437
594 1 3 . 1 1 7 7 ASP N N 78 122.422 122.422 125.710 -3.288 18437
595 1 3 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.908 -0.099 18437
596 1 3 . 1 1 7 7 ASP CA C 78 53.746 53.746 54.041 -0.295 18437
597 1 3 . 1 1 7 7 ASP CB C 78 41.327 41.327 41.560 -0.233 18437
598 1 3 . 1 1 7 7 ASP H H 78 8.468 8.468 8.653 -0.185 18437
599 1 3 . 1 1 8 8 THR N N 79 115.682 115.682 112.173 3.509 18437
600 1 3 . 1 1 8 8 THR HA H 79 4.237 4.237 4.570 -0.333 18437
601 1 3 . 1 1 8 8 THR CA C 79 62.272 62.272 61.450 0.822 18437
602 1 3 . 1 1 8 8 THR CB C 79 68.766 68.766 70.581 -1.815 18437
603 1 3 . 1 1 8 8 THR H H 79 8.447 8.447 7.570 0.877 18437
604 1 3 . 1 1 9 9 SER N N 80 118.485 118.485 116.143 2.342 18437
605 1 3 . 1 1 9 9 SER HA H 80 4.349 4.349 4.652 -0.303 18437
606 1 3 . 1 1 9 9 SER CA C 80 60.346 60.346 58.674 1.672 18437
607 1 3 . 1 1 9 9 SER CB C 80 63.372 63.372 63.595 -0.223 18437
608 1 3 . 1 1 9 9 SER H H 80 8.521 8.521 8.491 0.030 18437
609 1 3 . 1 1 10 10 GLU N N 81 121.082 121.082 122.350 -1.268 18437
610 1 3 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.500 -0.101 18437
611 1 3 . 1 1 10 10 GLU CA C 81 55.946 55.946 55.980 -0.034 18437
612 1 3 . 1 1 10 10 GLU CB C 81 30.073 30.073 30.314 -0.240 18437
613 1 3 . 1 1 10 10 GLU H H 81 8.192 8.192 8.346 -0.154 18437
614 1 3 . 1 1 11 11 LEU N N 82 120.855 120.855 123.210 -2.355 18437
615 1 3 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.474 0.012 18437
616 1 3 . 1 1 11 11 LEU CA C 82 54.319 54.319 54.761 -0.442 18437
617 1 3 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.650 0.652 18437
618 1 3 . 1 1 11 11 LEU H H 82 7.804 7.804 8.271 -0.467 18437
619 1 3 . 1 1 12 12 VAL N N 83 119.700 119.700 120.121 -0.421 18437
620 1 3 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.526 -0.097 18437
621 1 3 . 1 1 12 12 VAL CA C 83 60.069 60.069 60.165 -0.096 18437
622 1 3 . 1 1 12 12 VAL CB C 83 34.830 34.830 34.247 0.583 18437
623 1 3 . 1 1 12 12 VAL H H 83 9.270 9.270 9.016 0.254 18437
624 1 3 . 1 1 13 13 THR N N 84 118.866 118.866 123.252 -4.386 18437
625 1 3 . 1 1 13 13 THR HA H 84 4.838 4.838 4.280 0.558 18437
626 1 3 . 1 1 13 13 THR CA C 84 62.246 62.246 62.584 -0.338 18437
627 1 3 . 1 1 13 13 THR CB C 84 68.463 68.463 68.430 0.033 18437
628 1 3 . 1 1 13 13 THR H H 84 8.380 8.380 8.607 -0.227 18437
629 1 3 . 1 1 14 14 VAL N N 85 120.684 120.684 128.217 -7.533 18437
630 1 3 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.406 0.380 18437
631 1 3 . 1 1 14 14 VAL CA C 85 57.719 57.719 59.761 -2.042 18437
632 1 3 . 1 1 14 14 VAL CB C 85 35.000 35.000 35.205 -0.205 18437
633 1 3 . 1 1 14 14 VAL H H 85 8.678 8.678 8.184 0.494 18437
634 1 3 . 1 1 15 15 VAL N N 86 116.897 116.897 128.560 -11.663 18437
635 1 3 . 1 1 15 15 VAL HA H 86 4.583 4.583 5.046 -0.463 18437
636 1 3 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.757 1.789 18437
637 1 3 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.498 -0.798 18437
638 1 3 . 1 1 15 15 VAL H H 86 8.926 8.926 9.041 -0.115 18437
639 1 3 . 1 1 16 16 ALA N N 87 127.774 127.774 130.407 -2.633 18437
640 1 3 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.489 -0.132 18437
641 1 3 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.435 1.092 18437
642 1 3 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.721 -0.473 18437
643 1 3 . 1 1 16 16 ALA H H 87 8.508 8.508 8.525 -0.017 18437
644 1 3 . 1 1 17 17 LEU N N 88 122.162 122.162 122.404 -0.242 18437
645 1 3 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.577 -0.012 18437
646 1 3 . 1 1 17 17 LEU CA C 88 55.019 55.019 56.042 -1.023 18437
647 1 3 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.505 0.195 18437
648 1 3 . 1 1 17 17 LEU H H 88 9.104 9.104 8.969 0.135 18437
649 1 3 . 1 1 18 18 VAL N N 89 112.263 112.263 112.444 -0.181 18437
650 1 3 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.482 0.050 18437
651 1 3 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.539 -1.093 18437
652 1 3 . 1 1 18 18 VAL CB C 89 36.300 36.300 35.086 1.214 18437
653 1 3 . 1 1 18 18 VAL H H 89 7.444 7.444 7.590 -0.146 18437
654 1 3 . 1 1 19 19 LYS N N 90 118.799 118.799 122.701 -3.902 18437
655 1 3 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.202 0.380 18437
656 1 3 . 1 1 19 19 LYS CA C 90 56.946 56.946 57.248 -0.303 18437
657 1 3 . 1 1 19 19 LYS CB C 90 32.573 32.573 31.135 1.438 18437
658 1 3 . 1 1 19 19 LYS H H 90 8.198 8.198 8.393 -0.195 18437
659 1 3 . 1 1 20 20 LEU N N 91 124.814 124.814 125.982 -1.168 18437
660 1 3 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.772 -0.022 18437
661 1 3 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.508 -0.376 18437
662 1 3 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.555 -0.155 18437
663 1 3 . 1 1 20 20 LEU H H 91 8.351 8.351 7.879 0.472 18437
664 1 3 . 1 1 21 21 HIS N N 92 121.971 121.971 123.767 -1.796 18437
665 1 3 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.859 0.253 18437
666 1 3 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.229 0.324 18437
667 1 3 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.441 -0.214 18437
668 1 3 . 1 1 21 21 HIS H H 92 8.555 8.555 8.567 -0.012 18437
669 1 3 . 1 1 22 22 THR N N 93 119.332 119.332 117.824 1.508 18437
670 1 3 . 1 1 22 22 THR HA H 93 4.492 4.492 4.474 0.018 18437
671 1 3 . 1 1 22 22 THR CA C 93 59.546 59.546 60.212 -0.665 18437
672 1 3 . 1 1 22 22 THR CB C 93 69.472 69.472 70.749 -1.277 18437
673 1 3 . 1 1 22 22 THR H H 93 8.182 8.182 7.989 0.193 18437
674 1 3 . 1 1 23 23 ASP N N 94 121.861 121.861 128.033 -6.172 18437
675 1 3 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.213 -0.234 18437
676 1 3 . 1 1 23 23 ASP CA C 94 53.673 53.673 53.532 0.141 18437
677 1 3 . 1 1 23 23 ASP CB C 94 41.027 41.027 40.810 0.217 18437
678 1 3 . 1 1 23 23 ASP H H 94 8.133 8.133 8.501 -0.368 18437
679 1 3 . 1 1 24 24 ALA N N 95 125.785 125.785 125.498 0.287 18437
680 1 3 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.612 0.541 18437
681 1 3 . 1 1 24 24 ALA CA C 95 50.916 50.916 50.395 0.521 18437
682 1 3 . 1 1 24 24 ALA CB C 95 24.090 24.090 22.563 1.527 18437
683 1 3 . 1 1 24 24 ALA H H 95 7.992 7.992 8.825 -0.833 18437
684 1 3 . 1 1 25 25 LEU N N 96 120.726 120.726 119.569 1.157 18437
685 1 3 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.558 0.753 18437
686 1 3 . 1 1 25 25 LEU CA C 96 53.416 53.416 54.725 -1.310 18437
687 1 3 . 1 1 25 25 LEU CB C 96 46.000 46.000 45.598 0.402 18437
688 1 3 . 1 1 25 25 LEU H H 96 8.661 8.661 8.484 0.177 18437
689 1 3 . 1 1 26 26 HIS N N 97 121.175 121.175 124.238 -3.063 18437
690 1 3 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.436 -0.167 18437
691 1 3 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.495 1.821 18437
692 1 3 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.574 0.399 18437
693 1 3 . 1 1 26 26 HIS H H 97 8.725 8.725 8.280 0.445 18437
694 1 3 . 1 1 27 27 ALA N N 98 126.618 126.618 130.943 -4.325 18437
695 1 3 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.225 -0.466 18437
696 1 3 . 1 1 27 27 ALA CA C 98 56.672 56.672 54.478 2.193 18437
697 1 3 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.170 0.207 18437
698 1 3 . 1 1 27 27 ALA H H 98 8.260 8.260 8.766 -0.506 18437
699 1 3 . 1 1 28 28 THR N N 99 107.369 107.369 110.294 -2.925 18437
700 1 3 . 1 1 28 28 THR HA H 99 4.584 4.584 4.152 0.432 18437
701 1 3 . 1 1 28 28 THR CA C 99 61.872 61.872 63.367 -1.495 18437
702 1 3 . 1 1 28 28 THR CB C 99 70.442 70.442 69.041 1.401 18437
703 1 3 . 1 1 28 28 THR H H 99 10.304 10.304 8.146 2.158 18437
704 1 3 . 1 1 29 29 ARG N N 100 124.395 124.395 120.354 4.041 18437
705 1 3 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.440 0.127 18437
706 1 3 . 1 1 29 29 ARG CA C 100 55.246 55.246 54.905 0.341 18437
707 1 3 . 1 1 29 29 ARG CB C 100 32.673 32.673 31.524 1.149 18437
708 1 3 . 1 1 29 29 ARG H H 100 9.037 9.037 7.667 1.370 18437
709 1 3 . 1 1 30 30 ASP N N 101 124.596 124.596 120.973 3.623 18437
710 1 3 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.803 -0.070 18437
711 1 3 . 1 1 30 30 ASP CA C 101 52.916 52.916 53.659 -0.743 18437
712 1 3 . 1 1 30 30 ASP CB C 101 38.097 38.097 40.240 -2.143 18437
713 1 3 . 1 1 30 30 ASP H H 101 8.898 8.898 8.458 0.440 18437
714 1 3 . 1 1 31 31 GLU N N 102 121.916 121.916 122.259 -0.343 18437
715 1 3 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.654 0.264 18437
716 1 3 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.370 -1.824 18437
717 1 3 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.486 0.576 18437
718 1 3 . 1 1 31 31 GLU H H 102 7.876 7.876 8.268 -0.392 18437
719 1 3 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.421 0.678 18437
720 1 3 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.409 0.280 18437
721 1 3 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.589 0.551 18437
722 1 3 . 1 1 33 33 VAL N N 104 118.661 118.661 120.029 -1.368 18437
723 1 3 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.176 0.227 18437
724 1 3 . 1 1 33 33 VAL CA C 104 61.216 61.216 61.182 0.034 18437
725 1 3 . 1 1 33 33 VAL CB C 104 35.543 35.543 32.998 2.545 18437
726 1 3 . 1 1 33 33 VAL H H 104 8.362 8.362 8.343 0.019 18437
727 1 3 . 1 1 34 34 ALA N N 105 126.902 126.902 128.852 -1.950 18437
728 1 3 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.533 0.637 18437
729 1 3 . 1 1 34 34 ALA CA C 105 51.622 51.622 52.269 -0.647 18437
730 1 3 . 1 1 34 34 ALA CB C 105 21.017 21.017 21.283 -0.266 18437
731 1 3 . 1 1 34 34 ALA H H 105 8.726 8.726 8.466 0.260 18437
732 1 3 . 1 1 35 35 PHE N N 106 119.156 119.156 113.188 5.968 18437
733 1 3 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.431 0.805 18437
734 1 3 . 1 1 35 35 PHE CA C 106 56.646 56.646 55.144 1.502 18437
735 1 3 . 1 1 35 35 PHE CB C 106 41.300 41.300 40.462 0.838 18437
736 1 3 . 1 1 35 35 PHE H H 106 7.597 7.597 6.944 0.653 18437
737 1 3 . 1 1 36 36 VAL N N 107 120.344 120.344 118.247 2.097 18437
738 1 3 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.285 -0.066 18437
739 1 3 . 1 1 36 36 VAL CA C 107 59.546 59.546 59.770 -0.224 18437
740 1 3 . 1 1 36 36 VAL CB C 107 35.200 35.200 33.998 1.202 18437
741 1 3 . 1 1 36 36 VAL H H 107 8.267 8.267 8.524 -0.257 18437
742 1 3 . 1 1 37 37 LEU N N 108 121.820 121.820 120.858 0.962 18437
743 1 3 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.890 -0.461 18437
744 1 3 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.249 0.617 18437
745 1 3 . 1 1 37 37 LEU CB C 108 41.100 41.100 42.825 -1.725 18437
746 1 3 . 1 1 37 37 LEU H H 108 7.737 7.737 8.426 -0.689 18437
747 1 3 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.473 -0.762 18437
748 1 3 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.530 0.142 18437
749 1 3 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.353 0.720 18437
750 1 3 . 1 1 39 39 GLY N N 110 112.032 112.032 111.985 0.047 18437
751 1 3 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.258 -0.415 18437
752 1 3 . 1 1 39 39 GLY H H 110 9.026 9.026 8.372 0.654 18437
753 1 3 . 1 1 40 40 THR N N 111 119.141 119.141 119.845 -0.704 18437
754 1 3 . 1 1 40 40 THR HA H 111 4.330 4.330 4.565 -0.235 18437
755 1 3 . 1 1 40 40 THR CA C 111 63.346 63.346 61.804 1.542 18437
756 1 3 . 1 1 40 40 THR CB C 111 69.512 69.512 69.836 -0.324 18437
757 1 3 . 1 1 40 40 THR H H 111 8.039 8.039 7.892 0.147 18437
758 1 3 . 1 1 41 41 ALA N N 112 131.125 131.125 129.335 1.790 18437
759 1 3 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.556 1.151 18437
760 1 3 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.256 -0.944 18437
761 1 3 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.608 0.314 18437
762 1 3 . 1 1 41 41 ALA H H 112 8.900 8.900 8.530 0.370 18437
763 1 3 . 1 1 42 42 PHE N N 113 116.476 116.476 121.554 -5.078 18437
764 1 3 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.859 -0.201 18437
765 1 3 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.430 1.242 18437
766 1 3 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.634 -3.241 18437
767 1 3 . 1 1 42 42 PHE H H 113 9.220 9.220 8.681 0.539 18437
768 1 3 . 1 1 43 43 ARG N N 114 117.116 117.116 123.930 -6.814 18437
769 1 3 . 1 1 43 43 ARG HA H 114 5.640 5.640 5.025 0.615 18437
770 1 3 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.867 -0.797 18437
771 1 3 . 1 1 43 43 ARG CB C 114 34.900 34.900 30.852 4.048 18437
772 1 3 . 1 1 43 43 ARG H H 114 9.145 9.145 8.534 0.611 18437
773 1 3 . 1 1 44 44 VAL N N 115 113.755 113.755 117.177 -3.422 18437
774 1 3 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.648 0.205 18437
775 1 3 . 1 1 44 44 VAL CA C 115 58.772 58.772 59.759 -0.987 18437
776 1 3 . 1 1 44 44 VAL CB C 115 37.500 37.500 35.246 2.254 18437
777 1 3 . 1 1 44 44 VAL H H 115 8.441 8.441 8.615 -0.174 18437
778 1 3 . 1 1 45 45 SER N N 116 115.947 115.947 114.343 1.604 18437
779 1 3 . 1 1 45 45 SER HA H 116 4.530 4.530 4.566 -0.036 18437
780 1 3 . 1 1 45 45 SER CA C 116 58.168 58.168 57.525 0.643 18437
781 1 3 . 1 1 45 45 SER CB C 116 64.399 64.399 64.476 -0.077 18437
782 1 3 . 1 1 45 45 SER H H 116 8.723 8.723 8.441 0.282 18437
783 1 3 . 1 1 46 46 ALA N N 117 123.625 123.625 128.060 -4.435 18437
784 1 3 . 1 1 46 46 ALA HA H 117 3.980 3.980 4.092 -0.112 18437
785 1 3 . 1 1 46 46 ALA CA C 117 55.772 55.772 54.869 0.903 18437
786 1 3 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.815 -0.705 18437
787 1 3 . 1 1 46 46 ALA H H 117 9.143 9.143 8.964 0.179 18437
788 1 3 . 1 1 47 47 GLY N N 118 106.332 106.332 106.936 -0.604 18437
789 1 3 . 1 1 47 47 GLY CA C 118 46.900 46.900 46.397 0.503 18437
790 1 3 . 1 1 47 47 GLY H H 118 8.937 8.937 7.680 1.257 18437
791 1 3 . 1 1 48 48 VAL N N 119 124.965 124.965 123.523 1.442 18437
792 1 3 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.803 0.040 18437
793 1 3 . 1 1 48 48 VAL CA C 119 65.816 65.816 63.785 2.031 18437
794 1 3 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.232 0.735 18437
795 1 3 . 1 1 48 48 VAL H H 119 7.376 7.376 7.653 -0.277 18437
796 1 3 . 1 1 49 49 ALA N N 120 122.605 122.605 121.469 1.136 18437
797 1 3 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.912 -0.240 18437
798 1 3 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.293 0.179 18437
799 1 3 . 1 1 49 49 ALA CB C 120 18.454 18.454 17.878 0.576 18437
800 1 3 . 1 1 49 49 ALA H H 120 8.805 8.805 8.057 0.748 18437
801 1 3 . 1 1 50 50 ALA N N 121 119.852 119.852 120.219 -0.367 18437
802 1 3 . 1 1 50 50 ALA HA H 121 4.088 4.088 3.993 0.095 18437
803 1 3 . 1 1 50 50 ALA CA C 121 54.946 54.946 54.954 -0.008 18437
804 1 3 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.215 -0.537 18437
805 1 3 . 1 1 50 50 ALA H H 121 7.976 7.976 7.815 0.161 18437
806 1 3 . 1 1 51 51 GLU N N 122 118.977 118.977 117.934 1.043 18437
807 1 3 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.112 0.034 18437
808 1 3 . 1 1 51 51 GLU CA C 122 59.272 59.272 59.039 0.233 18437
809 1 3 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.783 -0.083 18437
810 1 3 . 1 1 51 51 GLU H H 122 7.369 7.369 7.684 -0.315 18437
811 1 3 . 1 1 52 52 MET N N 123 116.735 116.735 117.860 -1.125 18437
812 1 3 . 1 1 52 52 MET HA H 123 3.941 3.941 4.229 -0.288 18437
813 1 3 . 1 1 52 52 MET CA C 123 60.416 60.416 58.175 2.241 18437
814 1 3 . 1 1 52 52 MET CB C 123 33.973 33.973 31.766 2.207 18437
815 1 3 . 1 1 52 52 MET H H 123 8.794 8.794 8.148 0.646 18437
816 1 3 . 1 1 53 53 THR N N 124 112.866 112.866 110.612 2.254 18437
817 1 3 . 1 1 53 53 THR HA H 124 4.605 4.605 4.387 0.218 18437
818 1 3 . 1 1 53 53 THR CA C 124 64.742 64.742 64.858 -0.116 18437
819 1 3 . 1 1 53 53 THR CB C 124 68.392 68.392 68.662 -0.271 18437
820 1 3 . 1 1 53 53 THR H H 124 8.622 8.622 8.254 0.368 18437
821 1 3 . 1 1 54 54 GLU N N 125 125.722 125.722 120.518 5.204 18437
822 1 3 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.151 -0.008 18437
823 1 3 . 1 1 54 54 GLU CA C 125 59.639 59.639 58.087 1.552 18437
824 1 3 . 1 1 54 54 GLU H H 125 8.054 8.054 7.484 0.570 18437
825 1 3 . 1 1 55 55 ARG N N 126 114.393 114.393 117.137 -2.744 18437
826 1 3 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.266 0.107 18437
827 1 3 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.991 -0.519 18437
828 1 3 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.954 0.846 18437
829 1 3 . 1 1 55 55 ARG H H 126 7.703 7.703 8.076 -0.373 18437
830 1 3 . 1 1 56 56 GLY N N 127 107.070 107.070 106.295 0.775 18437
831 1 3 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.891 0.309 18437
832 1 3 . 1 1 56 56 GLY H H 127 7.759 7.759 7.787 -0.028 18437
833 1 3 . 1 1 57 57 LEU N N 128 116.338 116.338 117.788 -1.450 18437
834 1 3 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.582 -0.211 18437
835 1 3 . 1 1 57 57 LEU CA C 128 55.572 55.572 54.829 0.743 18437
836 1 3 . 1 1 57 57 LEU CB C 128 42.427 42.427 43.114 -0.687 18437
837 1 3 . 1 1 57 57 LEU H H 128 8.293 8.293 7.354 0.939 18437
838 1 3 . 1 1 58 58 ALA N N 129 116.379 116.379 119.123 -2.744 18437
839 1 3 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.978 0.152 18437
840 1 3 . 1 1 58 58 ALA CA C 129 50.142 50.142 50.935 -0.793 18437
841 1 3 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.315 0.993 18437
842 1 3 . 1 1 58 58 ALA H H 129 7.351 7.351 7.389 -0.038 18437
843 1 3 . 1 1 59 59 ARG N N 130 115.969 115.969 120.890 -4.921 18437
844 1 3 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.872 0.050 18437
845 1 3 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.320 -1.131 18437
846 1 3 . 1 1 59 59 ARG CB C 130 33.453 33.453 34.715 -1.262 18437
847 1 3 . 1 1 59 59 ARG H H 130 8.771 8.771 8.799 -0.028 18437
848 1 3 . 1 1 60 60 MET N N 131 120.973 120.973 123.178 -2.205 18437
849 1 3 . 1 1 60 60 MET HA H 131 4.415 4.415 4.560 -0.145 18437
850 1 3 . 1 1 60 60 MET CA C 131 55.677 55.677 55.960 -0.283 18437
851 1 3 . 1 1 60 60 MET CB C 131 31.527 31.527 32.097 -0.570 18437
852 1 3 . 1 1 60 60 MET H H 131 8.910 8.910 8.671 0.239 18437
853 1 4 . 1 1 2 2 ASP N N 73 119.729 119.729 117.612 2.117 18437
854 1 4 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.673 -0.053 18437
855 1 4 . 1 1 2 2 ASP CA C 73 54.246 54.246 54.677 -0.431 18437
856 1 4 . 1 1 2 2 ASP CB C 73 41.077 41.077 42.033 -0.957 18437
857 1 4 . 1 1 2 2 ASP H H 73 8.508 8.508 8.617 -0.109 18437
858 1 4 . 1 1 3 3 THR N N 74 114.613 114.613 115.328 -0.715 18437
859 1 4 . 1 1 3 3 THR HA H 74 4.328 4.328 4.466 -0.138 18437
860 1 4 . 1 1 3 3 THR CA C 74 62.046 62.046 62.484 -0.438 18437
861 1 4 . 1 1 3 3 THR CB C 74 69.779 69.779 71.038 -1.260 18437
862 1 4 . 1 1 3 3 THR H H 74 8.047 8.047 7.933 0.114 18437
863 1 4 . 1 1 4 4 VAL N N 75 123.803 123.803 121.306 2.497 18437
864 1 4 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.839 0.284 18437
865 1 4 . 1 1 4 4 VAL CA C 75 62.272 62.272 62.762 -0.490 18437
866 1 4 . 1 1 4 4 VAL CB C 75 32.873 32.873 31.256 1.617 18437
867 1 4 . 1 1 4 4 VAL H H 75 8.225 8.225 8.009 0.216 18437
868 1 4 . 1 1 5 5 ILE N N 76 126.050 126.050 122.238 3.812 18437
869 1 4 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.433 -0.261 18437
870 1 4 . 1 1 5 5 ILE CA C 76 60.469 60.469 59.947 0.523 18437
871 1 4 . 1 1 5 5 ILE CB C 76 38.570 38.570 37.929 0.641 18437
872 1 4 . 1 1 5 5 ILE H H 76 8.349 8.349 7.719 0.630 18437
873 1 4 . 1 1 6 6 LEU N N 77 127.505 127.505 128.948 -1.443 18437
874 1 4 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.653 -0.279 18437
875 1 4 . 1 1 6 6 LEU CA C 77 55.042 55.042 55.466 -0.424 18437
876 1 4 . 1 1 6 6 LEU CB C 77 42.700 42.700 42.973 -0.273 18437
877 1 4 . 1 1 6 6 LEU H H 77 8.408 8.408 8.363 0.045 18437
878 1 4 . 1 1 7 7 ASP N N 78 122.422 122.422 125.710 -3.288 18437
879 1 4 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.779 0.030 18437
880 1 4 . 1 1 7 7 ASP CA C 78 53.746 53.746 54.501 -0.755 18437
881 1 4 . 1 1 7 7 ASP CB C 78 41.327 41.327 41.798 -0.471 18437
882 1 4 . 1 1 7 7 ASP H H 78 8.468 8.468 8.601 -0.133 18437
883 1 4 . 1 1 8 8 THR N N 79 115.682 115.682 112.880 2.802 18437
884 1 4 . 1 1 8 8 THR HA H 79 4.237 4.237 4.676 -0.439 18437
885 1 4 . 1 1 8 8 THR CA C 79 62.272 62.272 61.058 1.214 18437
886 1 4 . 1 1 8 8 THR CB C 79 68.766 68.766 71.255 -2.489 18437
887 1 4 . 1 1 8 8 THR H H 79 8.447 8.447 8.042 0.405 18437
888 1 4 . 1 1 9 9 SER N N 80 118.485 118.485 115.998 2.487 18437
889 1 4 . 1 1 9 9 SER HA H 80 4.349 4.349 4.778 -0.429 18437
890 1 4 . 1 1 9 9 SER CA C 80 60.346 60.346 58.507 1.839 18437
891 1 4 . 1 1 9 9 SER CB C 80 63.372 63.372 63.887 -0.515 18437
892 1 4 . 1 1 9 9 SER H H 80 8.521 8.521 8.447 0.074 18437
893 1 4 . 1 1 10 10 GLU N N 81 121.082 121.082 123.250 -2.168 18437
894 1 4 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.587 -0.188 18437
895 1 4 . 1 1 10 10 GLU CA C 81 55.946 55.946 56.291 -0.345 18437
896 1 4 . 1 1 10 10 GLU CB C 81 30.073 30.073 30.435 -0.362 18437
897 1 4 . 1 1 10 10 GLU H H 81 8.192 8.192 8.400 -0.208 18437
898 1 4 . 1 1 11 11 LEU N N 82 120.855 120.855 123.108 -2.253 18437
899 1 4 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.434 0.052 18437
900 1 4 . 1 1 11 11 LEU CA C 82 54.319 54.319 55.523 -1.204 18437
901 1 4 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.314 0.988 18437
902 1 4 . 1 1 11 11 LEU H H 82 7.804 7.804 8.451 -0.647 18437
903 1 4 . 1 1 12 12 VAL N N 83 119.700 119.700 118.531 1.169 18437
904 1 4 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.612 -0.183 18437
905 1 4 . 1 1 12 12 VAL CA C 83 60.069 60.069 60.352 -0.283 18437
906 1 4 . 1 1 12 12 VAL CB C 83 34.830 34.830 34.709 0.121 18437
907 1 4 . 1 1 12 12 VAL H H 83 9.270 9.270 8.984 0.286 18437
908 1 4 . 1 1 13 13 THR N N 84 118.866 118.866 122.853 -3.987 18437
909 1 4 . 1 1 13 13 THR HA H 84 4.838 4.838 4.214 0.624 18437
910 1 4 . 1 1 13 13 THR CA C 84 62.246 62.246 63.178 -0.932 18437
911 1 4 . 1 1 13 13 THR CB C 84 68.463 68.463 69.153 -0.690 18437
912 1 4 . 1 1 13 13 THR H H 84 8.380 8.380 8.606 -0.226 18437
913 1 4 . 1 1 14 14 VAL N N 85 120.684 120.684 128.608 -7.924 18437
914 1 4 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.261 0.525 18437
915 1 4 . 1 1 14 14 VAL CA C 85 57.719 57.719 60.574 -2.855 18437
916 1 4 . 1 1 14 14 VAL CB C 85 35.000 35.000 35.784 -0.784 18437
917 1 4 . 1 1 14 14 VAL H H 85 8.678 8.678 8.163 0.515 18437
918 1 4 . 1 1 15 15 VAL N N 86 116.897 116.897 129.160 -12.263 18437
919 1 4 . 1 1 15 15 VAL HA H 86 4.583 4.583 5.029 -0.446 18437
920 1 4 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.465 2.081 18437
921 1 4 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.554 -0.854 18437
922 1 4 . 1 1 15 15 VAL H H 86 8.926 8.926 8.880 0.046 18437
923 1 4 . 1 1 16 16 ALA N N 87 127.774 127.774 130.996 -3.222 18437
924 1 4 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.532 -0.175 18437
925 1 4 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.339 1.188 18437
926 1 4 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.674 -0.426 18437
927 1 4 . 1 1 16 16 ALA H H 87 8.508 8.508 8.431 0.077 18437
928 1 4 . 1 1 17 17 LEU N N 88 122.162 122.162 122.997 -0.835 18437
929 1 4 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.517 0.048 18437
930 1 4 . 1 1 17 17 LEU CA C 88 55.019 55.019 56.358 -1.339 18437
931 1 4 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.477 0.223 18437
932 1 4 . 1 1 17 17 LEU H H 88 9.104 9.104 8.888 0.216 18437
933 1 4 . 1 1 18 18 VAL N N 89 112.263 112.263 112.305 -0.042 18437
934 1 4 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.478 0.054 18437
935 1 4 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.627 -1.181 18437
936 1 4 . 1 1 18 18 VAL CB C 89 36.300 36.300 35.022 1.278 18437
937 1 4 . 1 1 18 18 VAL H H 89 7.444 7.444 7.614 -0.170 18437
938 1 4 . 1 1 19 19 LYS N N 90 118.799 118.799 122.233 -3.434 18437
939 1 4 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.206 0.376 18437
940 1 4 . 1 1 19 19 LYS CA C 90 56.946 56.946 56.979 -0.033 18437
941 1 4 . 1 1 19 19 LYS CB C 90 32.573 32.573 31.123 1.450 18437
942 1 4 . 1 1 19 19 LYS H H 90 8.198 8.198 8.375 -0.177 18437
943 1 4 . 1 1 20 20 LEU N N 91 124.814 124.814 125.636 -0.822 18437
944 1 4 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.790 -0.040 18437
945 1 4 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.571 -0.439 18437
946 1 4 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.583 -0.183 18437
947 1 4 . 1 1 20 20 LEU H H 91 8.351 8.351 7.880 0.471 18437
948 1 4 . 1 1 21 21 HIS N N 92 121.971 121.971 123.213 -1.242 18437
949 1 4 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.809 0.303 18437
950 1 4 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.381 0.172 18437
951 1 4 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.424 -0.197 18437
952 1 4 . 1 1 21 21 HIS H H 92 8.555 8.555 8.641 -0.086 18437
953 1 4 . 1 1 22 22 THR N N 93 119.332 119.332 117.409 1.923 18437
954 1 4 . 1 1 22 22 THR HA H 93 4.492 4.492 4.492 -0.000 18437
955 1 4 . 1 1 22 22 THR CA C 93 59.546 59.546 60.922 -1.376 18437
956 1 4 . 1 1 22 22 THR CB C 93 69.472 69.472 70.972 -1.500 18437
957 1 4 . 1 1 22 22 THR H H 93 8.182 8.182 7.896 0.286 18437
958 1 4 . 1 1 23 23 ASP N N 94 121.861 121.861 127.372 -5.511 18437
959 1 4 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.195 -0.216 18437
960 1 4 . 1 1 23 23 ASP CA C 94 53.673 53.673 52.956 0.717 18437
961 1 4 . 1 1 23 23 ASP CB C 94 41.027 41.027 41.413 -0.386 18437
962 1 4 . 1 1 23 23 ASP H H 94 8.133 8.133 8.540 -0.407 18437
963 1 4 . 1 1 24 24 ALA N N 95 125.785 125.785 127.752 -1.967 18437
964 1 4 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.709 0.444 18437
965 1 4 . 1 1 24 24 ALA CA C 95 50.916 50.916 50.775 0.141 18437
966 1 4 . 1 1 24 24 ALA CB C 95 24.090 24.090 21.333 2.757 18437
967 1 4 . 1 1 24 24 ALA H H 95 7.992 7.992 8.239 -0.247 18437
968 1 4 . 1 1 25 25 LEU N N 96 120.726 120.726 124.836 -4.110 18437
969 1 4 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.475 0.836 18437
970 1 4 . 1 1 25 25 LEU CA C 96 53.416 53.416 53.614 -0.198 18437
971 1 4 . 1 1 25 25 LEU CB C 96 46.000 46.000 42.272 3.728 18437
972 1 4 . 1 1 25 25 LEU H H 96 8.661 8.661 8.603 0.058 18437
973 1 4 . 1 1 26 26 HIS N N 97 121.175 121.175 125.945 -4.770 18437
974 1 4 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.343 -0.074 18437
975 1 4 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.960 1.356 18437
976 1 4 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.883 0.090 18437
977 1 4 . 1 1 26 26 HIS H H 97 8.725 8.725 8.400 0.325 18437
978 1 4 . 1 1 27 27 ALA N N 98 126.618 126.618 129.837 -3.219 18437
979 1 4 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.316 -0.557 18437
980 1 4 . 1 1 27 27 ALA CA C 98 56.672 56.672 53.989 2.683 18437
981 1 4 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.328 0.050 18437
982 1 4 . 1 1 27 27 ALA H H 98 8.260 8.260 8.616 -0.356 18437
983 1 4 . 1 1 28 28 THR N N 99 107.369 107.369 112.734 -5.365 18437
984 1 4 . 1 1 28 28 THR HA H 99 4.584 4.584 4.220 0.364 18437
985 1 4 . 1 1 28 28 THR CA C 99 61.872 61.872 63.693 -1.821 18437
986 1 4 . 1 1 28 28 THR CB C 99 70.442 70.442 69.064 1.378 18437
987 1 4 . 1 1 28 28 THR H H 99 10.304 10.304 8.146 2.158 18437
988 1 4 . 1 1 29 29 ARG N N 100 124.395 124.395 120.464 3.931 18437
989 1 4 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.517 0.050 18437
990 1 4 . 1 1 29 29 ARG CA C 100 55.246 55.246 54.774 0.472 18437
991 1 4 . 1 1 29 29 ARG CB C 100 32.673 32.673 31.390 1.283 18437
992 1 4 . 1 1 29 29 ARG H H 100 9.037 9.037 7.665 1.372 18437
993 1 4 . 1 1 30 30 ASP N N 101 124.596 124.596 121.033 3.563 18437
994 1 4 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.833 -0.100 18437
995 1 4 . 1 1 30 30 ASP CA C 101 52.916 52.916 54.155 -1.239 18437
996 1 4 . 1 1 30 30 ASP CB C 101 38.097 38.097 40.820 -2.723 18437
997 1 4 . 1 1 30 30 ASP H H 101 8.898 8.898 8.472 0.426 18437
998 1 4 . 1 1 31 31 GLU N N 102 121.916 121.916 121.071 0.845 18437
999 1 4 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.656 0.262 18437
1000 1 4 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.678 -2.132 18437
1001 1 4 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.739 0.323 18437
1002 1 4 . 1 1 31 31 GLU H H 102 7.876 7.876 8.275 -0.399 18437
1003 1 4 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.451 0.648 18437
1004 1 4 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.400 0.289 18437
1005 1 4 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.627 0.513 18437
1006 1 4 . 1 1 33 33 VAL N N 104 118.661 118.661 120.217 -1.556 18437
1007 1 4 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.168 0.235 18437
1008 1 4 . 1 1 33 33 VAL CA C 104 61.216 61.216 61.039 0.177 18437
1009 1 4 . 1 1 33 33 VAL CB C 104 35.543 35.543 33.228 2.314 18437
1010 1 4 . 1 1 33 33 VAL H H 104 8.362 8.362 7.935 0.427 18437
1011 1 4 . 1 1 34 34 ALA N N 105 126.902 126.902 128.779 -1.877 18437
1012 1 4 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.573 0.597 18437
1013 1 4 . 1 1 34 34 ALA CA C 105 51.622 51.622 52.216 -0.594 18437
1014 1 4 . 1 1 34 34 ALA CB C 105 21.017 21.017 21.297 -0.281 18437
1015 1 4 . 1 1 34 34 ALA H H 105 8.726 8.726 8.422 0.304 18437
1016 1 4 . 1 1 35 35 PHE N N 106 119.156 119.156 113.372 5.784 18437
1017 1 4 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.437 0.799 18437
1018 1 4 . 1 1 35 35 PHE CA C 106 56.646 56.646 55.143 1.503 18437
1019 1 4 . 1 1 35 35 PHE CB C 106 41.300 41.300 40.403 0.897 18437
1020 1 4 . 1 1 35 35 PHE H H 106 7.597 7.597 6.963 0.634 18437
1021 1 4 . 1 1 36 36 VAL N N 107 120.344 120.344 118.371 1.973 18437
1022 1 4 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.292 -0.073 18437
1023 1 4 . 1 1 36 36 VAL CA C 107 59.546 59.546 59.795 -0.249 18437
1024 1 4 . 1 1 36 36 VAL CB C 107 35.200 35.200 33.972 1.228 18437
1025 1 4 . 1 1 36 36 VAL H H 107 8.267 8.267 8.477 -0.210 18437
1026 1 4 . 1 1 37 37 LEU N N 108 121.820 121.820 120.973 0.847 18437
1027 1 4 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.892 -0.463 18437
1028 1 4 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.853 0.013 18437
1029 1 4 . 1 1 37 37 LEU CB C 108 41.100 41.100 43.307 -2.208 18437
1030 1 4 . 1 1 37 37 LEU H H 108 7.737 7.737 8.422 -0.685 18437
1031 1 4 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.550 -0.839 18437
1032 1 4 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.525 0.147 18437
1033 1 4 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.355 0.718 18437
1034 1 4 . 1 1 39 39 GLY N N 110 112.032 112.032 111.971 0.061 18437
1035 1 4 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.270 -0.427 18437
1036 1 4 . 1 1 39 39 GLY H H 110 9.026 9.026 8.381 0.645 18437
1037 1 4 . 1 1 40 40 THR N N 111 119.141 119.141 120.104 -0.963 18437
1038 1 4 . 1 1 40 40 THR HA H 111 4.330 4.330 4.570 -0.240 18437
1039 1 4 . 1 1 40 40 THR CA C 111 63.346 63.346 61.892 1.454 18437
1040 1 4 . 1 1 40 40 THR CB C 111 69.512 69.512 69.873 -0.361 18437
1041 1 4 . 1 1 40 40 THR H H 111 8.039 8.039 7.906 0.133 18437
1042 1 4 . 1 1 41 41 ALA N N 112 131.125 131.125 129.003 2.122 18437
1043 1 4 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.553 1.154 18437
1044 1 4 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.208 -0.895 18437
1045 1 4 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.585 0.337 18437
1046 1 4 . 1 1 41 41 ALA H H 112 8.900 8.900 8.537 0.363 18437
1047 1 4 . 1 1 42 42 PHE N N 113 116.476 116.476 121.524 -5.048 18437
1048 1 4 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.882 -0.224 18437
1049 1 4 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.427 1.245 18437
1050 1 4 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.607 -3.214 18437
1051 1 4 . 1 1 42 42 PHE H H 113 9.220 9.220 8.628 0.592 18437
1052 1 4 . 1 1 43 43 ARG N N 114 117.116 117.116 123.779 -6.663 18437
1053 1 4 . 1 1 43 43 ARG HA H 114 5.640 5.640 5.027 0.613 18437
1054 1 4 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.890 -0.820 18437
1055 1 4 . 1 1 43 43 ARG CB C 114 34.900 34.900 30.776 4.124 18437
1056 1 4 . 1 1 43 43 ARG H H 114 9.145 9.145 8.584 0.561 18437
1057 1 4 . 1 1 44 44 VAL N N 115 113.755 113.755 118.662 -4.907 18437
1058 1 4 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.740 0.113 18437
1059 1 4 . 1 1 44 44 VAL CA C 115 58.772 58.772 59.344 -0.572 18437
1060 1 4 . 1 1 44 44 VAL CB C 115 37.500 37.500 35.421 2.079 18437
1061 1 4 . 1 1 44 44 VAL H H 115 8.441 8.441 8.687 -0.246 18437
1062 1 4 . 1 1 45 45 SER N N 116 115.947 115.947 114.967 0.980 18437
1063 1 4 . 1 1 45 45 SER HA H 116 4.530 4.530 4.587 -0.057 18437
1064 1 4 . 1 1 45 45 SER CA C 116 58.168 58.168 57.610 0.558 18437
1065 1 4 . 1 1 45 45 SER CB C 116 64.399 64.399 63.502 0.897 18437
1066 1 4 . 1 1 45 45 SER H H 116 8.723 8.723 8.436 0.287 18437
1067 1 4 . 1 1 46 46 ALA N N 117 123.625 123.625 127.055 -3.430 18437
1068 1 4 . 1 1 46 46 ALA HA H 117 3.980 3.980 3.965 0.015 18437
1069 1 4 . 1 1 46 46 ALA CA C 117 55.772 55.772 55.309 0.463 18437
1070 1 4 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.675 -0.565 18437
1071 1 4 . 1 1 46 46 ALA H H 117 9.143 9.143 8.954 0.189 18437
1072 1 4 . 1 1 47 47 GLY N N 118 106.332 106.332 104.347 1.985 18437
1073 1 4 . 1 1 47 47 GLY CA C 118 46.900 46.900 46.162 0.738 18437
1074 1 4 . 1 1 47 47 GLY H H 118 8.937 8.937 8.444 0.493 18437
1075 1 4 . 1 1 48 48 VAL N N 119 124.965 124.965 123.057 1.908 18437
1076 1 4 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.802 0.041 18437
1077 1 4 . 1 1 48 48 VAL CA C 119 65.816 65.816 64.609 1.207 18437
1078 1 4 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.242 0.725 18437
1079 1 4 . 1 1 48 48 VAL H H 119 7.376 7.376 7.553 -0.177 18437
1080 1 4 . 1 1 49 49 ALA N N 120 122.605 122.605 121.997 0.608 18437
1081 1 4 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.913 -0.241 18437
1082 1 4 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.392 0.080 18437
1083 1 4 . 1 1 49 49 ALA CB C 120 18.454 18.454 17.973 0.482 18437
1084 1 4 . 1 1 49 49 ALA H H 120 8.805 8.805 8.458 0.347 18437
1085 1 4 . 1 1 50 50 ALA N N 121 119.852 119.852 120.303 -0.451 18437
1086 1 4 . 1 1 50 50 ALA HA H 121 4.088 4.088 4.014 0.074 18437
1087 1 4 . 1 1 50 50 ALA CA C 121 54.946 54.946 54.913 0.034 18437
1088 1 4 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.298 -0.620 18437
1089 1 4 . 1 1 50 50 ALA H H 121 7.976 7.976 7.866 0.110 18437
1090 1 4 . 1 1 51 51 GLU N N 122 118.977 118.977 118.574 0.403 18437
1091 1 4 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.182 -0.036 18437
1092 1 4 . 1 1 51 51 GLU CA C 122 59.272 59.272 58.672 0.599 18437
1093 1 4 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.496 0.204 18437
1094 1 4 . 1 1 51 51 GLU H H 122 7.369 7.369 7.703 -0.334 18437
1095 1 4 . 1 1 52 52 MET N N 123 116.735 116.735 117.490 -0.755 18437
1096 1 4 . 1 1 52 52 MET HA H 123 3.941 3.941 4.191 -0.250 18437
1097 1 4 . 1 1 52 52 MET CA C 123 60.416 60.416 58.089 2.327 18437
1098 1 4 . 1 1 52 52 MET CB C 123 33.973 33.973 31.694 2.279 18437
1099 1 4 . 1 1 52 52 MET H H 123 8.794 8.794 8.120 0.674 18437
1100 1 4 . 1 1 53 53 THR N N 124 112.866 112.866 110.197 2.669 18437
1101 1 4 . 1 1 53 53 THR HA H 124 4.605 4.605 4.328 0.277 18437
1102 1 4 . 1 1 53 53 THR CA C 124 64.742 64.742 64.911 -0.169 18437
1103 1 4 . 1 1 53 53 THR CB C 124 68.392 68.392 68.645 -0.253 18437
1104 1 4 . 1 1 53 53 THR H H 124 8.622 8.622 8.209 0.413 18437
1105 1 4 . 1 1 54 54 GLU N N 125 125.722 125.722 120.704 5.018 18437
1106 1 4 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.145 -0.002 18437
1107 1 4 . 1 1 54 54 GLU CA C 125 59.639 59.639 58.092 1.547 18437
1108 1 4 . 1 1 54 54 GLU H H 125 8.054 8.054 7.487 0.567 18437
1109 1 4 . 1 1 55 55 ARG N N 126 114.393 114.393 117.893 -3.500 18437
1110 1 4 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.284 0.089 18437
1111 1 4 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.889 -0.416 18437
1112 1 4 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.545 1.255 18437
1113 1 4 . 1 1 55 55 ARG H H 126 7.703 7.703 8.033 -0.330 18437
1114 1 4 . 1 1 56 56 GLY N N 127 107.070 107.070 105.561 1.509 18437
1115 1 4 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.701 0.499 18437
1116 1 4 . 1 1 56 56 GLY H H 127 7.759 7.759 8.184 -0.425 18437
1117 1 4 . 1 1 57 57 LEU N N 128 116.338 116.338 117.968 -1.630 18437
1118 1 4 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.609 -0.238 18437
1119 1 4 . 1 1 57 57 LEU CA C 128 55.572 55.572 54.944 0.628 18437
1120 1 4 . 1 1 57 57 LEU CB C 128 42.427 42.427 43.034 -0.607 18437
1121 1 4 . 1 1 57 57 LEU H H 128 8.293 8.293 7.612 0.681 18437
1122 1 4 . 1 1 58 58 ALA N N 129 116.379 116.379 119.142 -2.763 18437
1123 1 4 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.882 0.248 18437
1124 1 4 . 1 1 58 58 ALA CA C 129 50.142 50.142 50.818 -0.676 18437
1125 1 4 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.375 0.933 18437
1126 1 4 . 1 1 58 58 ALA H H 129 7.351 7.351 7.401 -0.050 18437
1127 1 4 . 1 1 59 59 ARG N N 130 115.969 115.969 120.314 -4.345 18437
1128 1 4 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.862 0.060 18437
1129 1 4 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.534 -1.345 18437
1130 1 4 . 1 1 59 59 ARG CB C 130 33.453 33.453 34.644 -1.191 18437
1131 1 4 . 1 1 59 59 ARG H H 130 8.771 8.771 8.880 -0.109 18437
1132 1 4 . 1 1 60 60 MET N N 131 120.973 120.973 122.549 -1.576 18437
1133 1 4 . 1 1 60 60 MET HA H 131 4.415 4.415 4.375 0.040 18437
1134 1 4 . 1 1 60 60 MET CA C 131 55.677 55.677 57.081 -1.403 18437
1135 1 4 . 1 1 60 60 MET CB C 131 31.527 31.527 32.764 -1.237 18437
1136 1 4 . 1 1 60 60 MET H H 131 8.910 8.910 8.670 0.240 18437
1137 1 5 . 1 1 2 2 ASP N N 73 119.729 119.729 117.403 2.326 18437
1138 1 5 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.651 -0.031 18437
1139 1 5 . 1 1 2 2 ASP CA C 73 54.246 54.246 54.660 -0.414 18437
1140 1 5 . 1 1 2 2 ASP CB C 73 41.077 41.077 41.731 -0.654 18437
1141 1 5 . 1 1 2 2 ASP H H 73 8.508 8.508 8.608 -0.100 18437
1142 1 5 . 1 1 3 3 THR N N 74 114.613 114.613 115.564 -0.951 18437
1143 1 5 . 1 1 3 3 THR HA H 74 4.328 4.328 4.417 -0.089 18437
1144 1 5 . 1 1 3 3 THR CA C 74 62.046 62.046 62.303 -0.257 18437
1145 1 5 . 1 1 3 3 THR CB C 74 69.779 69.779 71.044 -1.265 18437
1146 1 5 . 1 1 3 3 THR H H 74 8.047 8.047 7.916 0.131 18437
1147 1 5 . 1 1 4 4 VAL N N 75 123.803 123.803 120.765 3.038 18437
1148 1 5 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.847 0.276 18437
1149 1 5 . 1 1 4 4 VAL CA C 75 62.272 62.272 62.865 -0.593 18437
1150 1 5 . 1 1 4 4 VAL CB C 75 32.873 32.873 30.956 1.917 18437
1151 1 5 . 1 1 4 4 VAL H H 75 8.225 8.225 8.067 0.158 18437
1152 1 5 . 1 1 5 5 ILE N N 76 126.050 126.050 121.811 4.239 18437
1153 1 5 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.438 -0.266 18437
1154 1 5 . 1 1 5 5 ILE CA C 76 60.469 60.469 59.946 0.523 18437
1155 1 5 . 1 1 5 5 ILE CB C 76 38.570 38.570 38.225 0.345 18437
1156 1 5 . 1 1 5 5 ILE H H 76 8.349 8.349 7.705 0.644 18437
1157 1 5 . 1 1 6 6 LEU N N 77 127.505 127.505 128.663 -1.158 18437
1158 1 5 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.689 -0.315 18437
1159 1 5 . 1 1 6 6 LEU CA C 77 55.042 55.042 54.907 0.135 18437
1160 1 5 . 1 1 6 6 LEU CB C 77 42.700 42.700 42.750 -0.050 18437
1161 1 5 . 1 1 6 6 LEU H H 77 8.408 8.408 8.505 -0.097 18437
1162 1 5 . 1 1 7 7 ASP N N 78 122.422 122.422 124.552 -2.130 18437
1163 1 5 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.793 0.016 18437
1164 1 5 . 1 1 7 7 ASP CA C 78 53.746 53.746 54.313 -0.568 18437
1165 1 5 . 1 1 7 7 ASP CB C 78 41.327 41.327 41.497 -0.170 18437
1166 1 5 . 1 1 7 7 ASP H H 78 8.468 8.468 8.696 -0.228 18437
1167 1 5 . 1 1 8 8 THR N N 79 115.682 115.682 110.908 4.774 18437
1168 1 5 . 1 1 8 8 THR HA H 79 4.237 4.237 4.764 -0.527 18437
1169 1 5 . 1 1 8 8 THR CA C 79 62.272 62.272 60.378 1.894 18437
1170 1 5 . 1 1 8 8 THR CB C 79 68.766 68.766 71.852 -3.086 18437
1171 1 5 . 1 1 8 8 THR H H 79 8.447 8.447 7.876 0.571 18437
1172 1 5 . 1 1 9 9 SER N N 80 118.485 118.485 115.839 2.646 18437
1173 1 5 . 1 1 9 9 SER HA H 80 4.349 4.349 4.702 -0.353 18437
1174 1 5 . 1 1 9 9 SER CA C 80 60.346 60.346 58.272 2.074 18437
1175 1 5 . 1 1 9 9 SER CB C 80 63.372 63.372 63.604 -0.232 18437
1176 1 5 . 1 1 9 9 SER H H 80 8.521 8.521 8.505 0.016 18437
1177 1 5 . 1 1 10 10 GLU N N 81 121.082 121.082 123.366 -2.284 18437
1178 1 5 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.502 -0.103 18437
1179 1 5 . 1 1 10 10 GLU CA C 81 55.946 55.946 55.226 0.720 18437
1180 1 5 . 1 1 10 10 GLU CB C 81 30.073 30.073 29.381 0.692 18437
1181 1 5 . 1 1 10 10 GLU H H 81 8.192 8.192 8.284 -0.092 18437
1182 1 5 . 1 1 11 11 LEU N N 82 120.855 120.855 122.463 -1.608 18437
1183 1 5 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.387 0.099 18437
1184 1 5 . 1 1 11 11 LEU CA C 82 54.319 54.319 54.816 -0.497 18437
1185 1 5 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.349 0.953 18437
1186 1 5 . 1 1 11 11 LEU H H 82 7.804 7.804 8.084 -0.280 18437
1187 1 5 . 1 1 12 12 VAL N N 83 119.700 119.700 118.508 1.192 18437
1188 1 5 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.627 -0.198 18437
1189 1 5 . 1 1 12 12 VAL CA C 83 60.069 60.069 59.828 0.241 18437
1190 1 5 . 1 1 12 12 VAL CB C 83 34.830 34.830 33.543 1.287 18437
1191 1 5 . 1 1 12 12 VAL H H 83 9.270 9.270 8.938 0.332 18437
1192 1 5 . 1 1 13 13 THR N N 84 118.866 118.866 124.012 -5.146 18437
1193 1 5 . 1 1 13 13 THR HA H 84 4.838 4.838 4.212 0.626 18437
1194 1 5 . 1 1 13 13 THR CA C 84 62.246 62.246 62.931 -0.685 18437
1195 1 5 . 1 1 13 13 THR CB C 84 68.463 68.463 69.168 -0.705 18437
1196 1 5 . 1 1 13 13 THR H H 84 8.380 8.380 8.639 -0.259 18437
1197 1 5 . 1 1 14 14 VAL N N 85 120.684 120.684 127.988 -7.304 18437
1198 1 5 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.229 0.557 18437
1199 1 5 . 1 1 14 14 VAL CA C 85 57.719 57.719 59.803 -2.084 18437
1200 1 5 . 1 1 14 14 VAL CB C 85 35.000 35.000 35.299 -0.299 18437
1201 1 5 . 1 1 14 14 VAL H H 85 8.678 8.678 8.564 0.114 18437
1202 1 5 . 1 1 15 15 VAL N N 86 116.897 116.897 128.413 -11.516 18437
1203 1 5 . 1 1 15 15 VAL HA H 86 4.583 4.583 4.991 -0.408 18437
1204 1 5 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.821 1.726 18437
1205 1 5 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.102 -0.402 18437
1206 1 5 . 1 1 15 15 VAL H H 86 8.926 8.926 8.873 0.053 18437
1207 1 5 . 1 1 16 16 ALA N N 87 127.774 127.774 130.826 -3.052 18437
1208 1 5 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.465 -0.108 18437
1209 1 5 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.425 1.102 18437
1210 1 5 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.823 -0.575 18437
1211 1 5 . 1 1 16 16 ALA H H 87 8.508 8.508 8.476 0.032 18437
1212 1 5 . 1 1 17 17 LEU N N 88 122.162 122.162 121.857 0.305 18437
1213 1 5 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.576 -0.011 18437
1214 1 5 . 1 1 17 17 LEU CA C 88 55.019 55.019 56.077 -1.058 18437
1215 1 5 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.611 0.090 18437
1216 1 5 . 1 1 17 17 LEU H H 88 9.104 9.104 8.911 0.193 18437
1217 1 5 . 1 1 18 18 VAL N N 89 112.263 112.263 112.532 -0.269 18437
1218 1 5 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.480 0.052 18437
1219 1 5 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.567 -1.121 18437
1220 1 5 . 1 1 18 18 VAL CB C 89 36.300 36.300 35.094 1.206 18437
1221 1 5 . 1 1 18 18 VAL H H 89 7.444 7.444 7.573 -0.129 18437
1222 1 5 . 1 1 19 19 LYS N N 90 118.799 118.799 122.632 -3.833 18437
1223 1 5 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.199 0.383 18437
1224 1 5 . 1 1 19 19 LYS CA C 90 56.946 56.946 57.219 -0.273 18437
1225 1 5 . 1 1 19 19 LYS CB C 90 32.573 32.573 31.094 1.479 18437
1226 1 5 . 1 1 19 19 LYS H H 90 8.198 8.198 8.391 -0.193 18437
1227 1 5 . 1 1 20 20 LEU N N 91 124.814 124.814 125.944 -1.130 18437
1228 1 5 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.789 -0.039 18437
1229 1 5 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.526 -0.394 18437
1230 1 5 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.526 -0.126 18437
1231 1 5 . 1 1 20 20 LEU H H 91 8.351 8.351 7.865 0.486 18437
1232 1 5 . 1 1 21 21 HIS N N 92 121.971 121.971 123.828 -1.857 18437
1233 1 5 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.858 0.254 18437
1234 1 5 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.361 0.192 18437
1235 1 5 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.380 -0.152 18437
1236 1 5 . 1 1 21 21 HIS H H 92 8.555 8.555 8.590 -0.035 18437
1237 1 5 . 1 1 22 22 THR N N 93 119.332 119.332 117.703 1.629 18437
1238 1 5 . 1 1 22 22 THR HA H 93 4.492 4.492 4.468 0.024 18437
1239 1 5 . 1 1 22 22 THR CA C 93 59.546 59.546 60.061 -0.515 18437
1240 1 5 . 1 1 22 22 THR CB C 93 69.472 69.472 70.749 -1.276 18437
1241 1 5 . 1 1 22 22 THR H H 93 8.182 8.182 7.973 0.209 18437
1242 1 5 . 1 1 23 23 ASP N N 94 121.861 121.861 127.473 -5.612 18437
1243 1 5 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.219 -0.240 18437
1244 1 5 . 1 1 23 23 ASP CA C 94 53.673 53.673 53.373 0.300 18437
1245 1 5 . 1 1 23 23 ASP CB C 94 41.027 41.027 40.784 0.243 18437
1246 1 5 . 1 1 23 23 ASP H H 94 8.133 8.133 8.432 -0.299 18437
1247 1 5 . 1 1 24 24 ALA N N 95 125.785 125.785 126.361 -0.576 18437
1248 1 5 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.701 0.452 18437
1249 1 5 . 1 1 24 24 ALA CA C 95 50.916 50.916 50.748 0.168 18437
1250 1 5 . 1 1 24 24 ALA CB C 95 24.090 24.090 21.541 2.549 18437
1251 1 5 . 1 1 24 24 ALA H H 95 7.992 7.992 8.230 -0.238 18437
1252 1 5 . 1 1 25 25 LEU N N 96 120.726 120.726 125.780 -5.054 18437
1253 1 5 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.417 0.894 18437
1254 1 5 . 1 1 25 25 LEU CA C 96 53.416 53.416 53.953 -0.537 18437
1255 1 5 . 1 1 25 25 LEU CB C 96 46.000 46.000 42.051 3.949 18437
1256 1 5 . 1 1 25 25 LEU H H 96 8.661 8.661 8.605 0.056 18437
1257 1 5 . 1 1 26 26 HIS N N 97 121.175 121.175 125.686 -4.511 18437
1258 1 5 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.364 -0.095 18437
1259 1 5 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.813 1.503 18437
1260 1 5 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.849 0.124 18437
1261 1 5 . 1 1 26 26 HIS H H 97 8.725 8.725 8.114 0.611 18437
1262 1 5 . 1 1 27 27 ALA N N 98 126.618 126.618 130.248 -3.630 18437
1263 1 5 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.295 -0.536 18437
1264 1 5 . 1 1 27 27 ALA CA C 98 56.672 56.672 53.967 2.705 18437
1265 1 5 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.425 -0.048 18437
1266 1 5 . 1 1 27 27 ALA H H 98 8.260 8.260 8.691 -0.431 18437
1267 1 5 . 1 1 28 28 THR N N 99 107.369 107.369 112.291 -4.922 18437
1268 1 5 . 1 1 28 28 THR HA H 99 4.584 4.584 4.192 0.392 18437
1269 1 5 . 1 1 28 28 THR CA C 99 61.872 61.872 63.479 -1.607 18437
1270 1 5 . 1 1 28 28 THR CB C 99 70.442 70.442 69.118 1.324 18437
1271 1 5 . 1 1 28 28 THR H H 99 10.304 10.304 8.157 2.147 18437
1272 1 5 . 1 1 29 29 ARG N N 100 124.395 124.395 121.321 3.074 18437
1273 1 5 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.499 0.068 18437
1274 1 5 . 1 1 29 29 ARG CA C 100 55.246 55.246 54.932 0.314 18437
1275 1 5 . 1 1 29 29 ARG CB C 100 32.673 32.673 31.550 1.123 18437
1276 1 5 . 1 1 29 29 ARG H H 100 9.037 9.037 7.901 1.136 18437
1277 1 5 . 1 1 30 30 ASP N N 101 124.596 124.596 118.269 6.327 18437
1278 1 5 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.776 -0.043 18437
1279 1 5 . 1 1 30 30 ASP CA C 101 52.916 52.916 53.513 -0.597 18437
1280 1 5 . 1 1 30 30 ASP CB C 101 38.097 38.097 40.118 -2.021 18437
1281 1 5 . 1 1 30 30 ASP H H 101 8.898 8.898 8.516 0.382 18437
1282 1 5 . 1 1 31 31 GLU N N 102 121.916 121.916 120.612 1.304 18437
1283 1 5 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.607 0.311 18437
1284 1 5 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.291 -1.745 18437
1285 1 5 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.182 0.880 18437
1286 1 5 . 1 1 31 31 GLU H H 102 7.876 7.876 8.319 -0.443 18437
1287 1 5 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.456 0.643 18437
1288 1 5 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.497 0.192 18437
1289 1 5 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.649 0.491 18437
1290 1 5 . 1 1 33 33 VAL N N 104 118.661 118.661 119.941 -1.280 18437
1291 1 5 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.153 0.250 18437
1292 1 5 . 1 1 33 33 VAL CA C 104 61.216 61.216 61.285 -0.069 18437
1293 1 5 . 1 1 33 33 VAL CB C 104 35.543 35.543 33.627 1.916 18437
1294 1 5 . 1 1 33 33 VAL H H 104 8.362 8.362 7.949 0.413 18437
1295 1 5 . 1 1 34 34 ALA N N 105 126.902 126.902 128.355 -1.453 18437
1296 1 5 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.632 0.538 18437
1297 1 5 . 1 1 34 34 ALA CA C 105 51.622 51.622 51.889 -0.267 18437
1298 1 5 . 1 1 34 34 ALA CB C 105 21.017 21.017 21.401 -0.383 18437
1299 1 5 . 1 1 34 34 ALA H H 105 8.726 8.726 8.409 0.317 18437
1300 1 5 . 1 1 35 35 PHE N N 106 119.156 119.156 113.428 5.728 18437
1301 1 5 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.472 0.764 18437
1302 1 5 . 1 1 35 35 PHE CA C 106 56.646 56.646 55.276 1.371 18437
1303 1 5 . 1 1 35 35 PHE CB C 106 41.300 41.300 40.041 1.259 18437
1304 1 5 . 1 1 35 35 PHE H H 106 7.597 7.597 6.910 0.687 18437
1305 1 5 . 1 1 36 36 VAL N N 107 120.344 120.344 118.258 2.086 18437
1306 1 5 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.329 -0.110 18437
1307 1 5 . 1 1 36 36 VAL CA C 107 59.546 59.546 59.698 -0.152 18437
1308 1 5 . 1 1 36 36 VAL CB C 107 35.200 35.200 34.155 1.045 18437
1309 1 5 . 1 1 36 36 VAL H H 107 8.267 8.267 8.388 -0.121 18437
1310 1 5 . 1 1 37 37 LEU N N 108 121.820 121.820 120.615 1.205 18437
1311 1 5 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.891 -0.462 18437
1312 1 5 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.948 -0.082 18437
1313 1 5 . 1 1 37 37 LEU CB C 108 41.100 41.100 43.367 -2.268 18437
1314 1 5 . 1 1 37 37 LEU H H 108 7.737 7.737 8.407 -0.670 18437
1315 1 5 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.536 -0.825 18437
1316 1 5 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.525 0.147 18437
1317 1 5 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.331 0.742 18437
1318 1 5 . 1 1 39 39 GLY N N 110 112.032 112.032 111.910 0.122 18437
1319 1 5 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.296 -0.453 18437
1320 1 5 . 1 1 39 39 GLY H H 110 9.026 9.026 8.379 0.647 18437
1321 1 5 . 1 1 40 40 THR N N 111 119.141 119.141 119.582 -0.441 18437
1322 1 5 . 1 1 40 40 THR HA H 111 4.330 4.330 4.465 -0.135 18437
1323 1 5 . 1 1 40 40 THR CA C 111 63.346 63.346 62.014 1.332 18437
1324 1 5 . 1 1 40 40 THR CB C 111 69.512 69.512 70.094 -0.582 18437
1325 1 5 . 1 1 40 40 THR H H 111 8.039 8.039 7.910 0.129 18437
1326 1 5 . 1 1 41 41 ALA N N 112 131.125 131.125 129.518 1.607 18437
1327 1 5 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.555 1.152 18437
1328 1 5 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.203 -0.891 18437
1329 1 5 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.489 0.433 18437
1330 1 5 . 1 1 41 41 ALA H H 112 8.900 8.900 8.589 0.311 18437
1331 1 5 . 1 1 42 42 PHE N N 113 116.476 116.476 121.960 -5.484 18437
1332 1 5 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.923 -0.265 18437
1333 1 5 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.273 1.399 18437
1334 1 5 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.543 -3.150 18437
1335 1 5 . 1 1 42 42 PHE H H 113 9.220 9.220 8.588 0.632 18437
1336 1 5 . 1 1 43 43 ARG N N 114 117.116 117.116 123.184 -6.068 18437
1337 1 5 . 1 1 43 43 ARG HA H 114 5.640 5.640 5.111 0.529 18437
1338 1 5 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.657 -0.587 18437
1339 1 5 . 1 1 43 43 ARG CB C 114 34.900 34.900 31.046 3.854 18437
1340 1 5 . 1 1 43 43 ARG H H 114 9.145 9.145 8.545 0.600 18437
1341 1 5 . 1 1 44 44 VAL N N 115 113.755 113.755 117.883 -4.128 18437
1342 1 5 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.687 0.166 18437
1343 1 5 . 1 1 44 44 VAL CA C 115 58.772 58.772 59.630 -0.858 18437
1344 1 5 . 1 1 44 44 VAL CB C 115 37.500 37.500 35.658 1.842 18437
1345 1 5 . 1 1 44 44 VAL H H 115 8.441 8.441 8.651 -0.210 18437
1346 1 5 . 1 1 45 45 SER N N 116 115.947 115.947 115.082 0.865 18437
1347 1 5 . 1 1 45 45 SER HA H 116 4.530 4.530 4.565 -0.035 18437
1348 1 5 . 1 1 45 45 SER CA C 116 58.168 58.168 57.569 0.599 18437
1349 1 5 . 1 1 45 45 SER CB C 116 64.399 64.399 63.439 0.960 18437
1350 1 5 . 1 1 45 45 SER H H 116 8.723 8.723 8.442 0.281 18437
1351 1 5 . 1 1 46 46 ALA N N 117 123.625 123.625 126.961 -3.336 18437
1352 1 5 . 1 1 46 46 ALA HA H 117 3.980 3.980 3.951 0.029 18437
1353 1 5 . 1 1 46 46 ALA CA C 117 55.772 55.772 55.338 0.434 18437
1354 1 5 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.660 -0.550 18437
1355 1 5 . 1 1 46 46 ALA H H 117 9.143 9.143 8.907 0.236 18437
1356 1 5 . 1 1 47 47 GLY N N 118 106.332 106.332 104.497 1.835 18437
1357 1 5 . 1 1 47 47 GLY CA C 118 46.900 46.900 45.763 1.137 18437
1358 1 5 . 1 1 47 47 GLY H H 118 8.937 8.937 8.324 0.613 18437
1359 1 5 . 1 1 48 48 VAL N N 119 124.965 124.965 123.150 1.815 18437
1360 1 5 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.722 0.121 18437
1361 1 5 . 1 1 48 48 VAL CA C 119 65.816 65.816 65.645 0.171 18437
1362 1 5 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.905 0.062 18437
1363 1 5 . 1 1 48 48 VAL H H 119 7.376 7.376 7.526 -0.150 18437
1364 1 5 . 1 1 49 49 ALA N N 120 122.605 122.605 121.481 1.124 18437
1365 1 5 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.910 -0.238 18437
1366 1 5 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.300 0.172 18437
1367 1 5 . 1 1 49 49 ALA CB C 120 18.454 18.454 17.887 0.567 18437
1368 1 5 . 1 1 49 49 ALA H H 120 8.805 8.805 8.405 0.400 18437
1369 1 5 . 1 1 50 50 ALA N N 121 119.852 119.852 120.210 -0.358 18437
1370 1 5 . 1 1 50 50 ALA HA H 121 4.088 4.088 4.001 0.087 18437
1371 1 5 . 1 1 50 50 ALA CA C 121 54.946 54.946 54.961 -0.015 18437
1372 1 5 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.217 -0.539 18437
1373 1 5 . 1 1 50 50 ALA H H 121 7.976 7.976 7.809 0.167 18437
1374 1 5 . 1 1 51 51 GLU N N 122 118.977 118.977 118.170 0.807 18437
1375 1 5 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.124 0.022 18437
1376 1 5 . 1 1 51 51 GLU CA C 122 59.272 59.272 58.984 0.288 18437
1377 1 5 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.636 0.065 18437
1378 1 5 . 1 1 51 51 GLU H H 122 7.369 7.369 7.718 -0.349 18437
1379 1 5 . 1 1 52 52 MET N N 123 116.735 116.735 117.881 -1.146 18437
1380 1 5 . 1 1 52 52 MET HA H 123 3.941 3.941 4.238 -0.297 18437
1381 1 5 . 1 1 52 52 MET CA C 123 60.416 60.416 58.187 2.229 18437
1382 1 5 . 1 1 52 52 MET CB C 123 33.973 33.973 31.802 2.171 18437
1383 1 5 . 1 1 52 52 MET H H 123 8.794 8.794 8.063 0.731 18437
1384 1 5 . 1 1 53 53 THR N N 124 112.866 112.866 110.032 2.834 18437
1385 1 5 . 1 1 53 53 THR HA H 124 4.605 4.605 4.298 0.307 18437
1386 1 5 . 1 1 53 53 THR CA C 124 64.742 64.742 64.950 -0.208 18437
1387 1 5 . 1 1 53 53 THR CB C 124 68.392 68.392 68.555 -0.163 18437
1388 1 5 . 1 1 53 53 THR H H 124 8.622 8.622 8.230 0.392 18437
1389 1 5 . 1 1 54 54 GLU N N 125 125.722 125.722 120.528 5.194 18437
1390 1 5 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.143 -0.000 18437
1391 1 5 . 1 1 54 54 GLU CA C 125 59.639 59.639 58.116 1.523 18437
1392 1 5 . 1 1 54 54 GLU H H 125 8.054 8.054 7.480 0.574 18437
1393 1 5 . 1 1 55 55 ARG N N 126 114.393 114.393 118.252 -3.859 18437
1394 1 5 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.307 0.066 18437
1395 1 5 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.437 0.035 18437
1396 1 5 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.479 1.321 18437
1397 1 5 . 1 1 55 55 ARG H H 126 7.703 7.703 8.017 -0.314 18437
1398 1 5 . 1 1 56 56 GLY N N 127 107.070 107.070 105.441 1.629 18437
1399 1 5 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.601 0.599 18437
1400 1 5 . 1 1 56 56 GLY H H 127 7.759 7.759 8.192 -0.433 18437
1401 1 5 . 1 1 57 57 LEU N N 128 116.338 116.338 117.522 -1.184 18437
1402 1 5 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.644 -0.273 18437
1403 1 5 . 1 1 57 57 LEU CA C 128 55.572 55.572 54.797 0.774 18437
1404 1 5 . 1 1 57 57 LEU CB C 128 42.427 42.427 43.122 -0.695 18437
1405 1 5 . 1 1 57 57 LEU H H 128 8.293 8.293 7.587 0.706 18437
1406 1 5 . 1 1 58 58 ALA N N 129 116.379 116.379 119.500 -3.121 18437
1407 1 5 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.903 0.227 18437
1408 1 5 . 1 1 58 58 ALA CA C 129 50.142 50.142 50.791 -0.649 18437
1409 1 5 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.426 0.882 18437
1410 1 5 . 1 1 58 58 ALA H H 129 7.351 7.351 7.399 -0.048 18437
1411 1 5 . 1 1 59 59 ARG N N 130 115.969 115.969 119.770 -3.801 18437
1412 1 5 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.846 0.076 18437
1413 1 5 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.794 -1.605 18437
1414 1 5 . 1 1 59 59 ARG CB C 130 33.453 33.453 34.731 -1.278 18437
1415 1 5 . 1 1 59 59 ARG H H 130 8.771 8.771 8.898 -0.127 18437
1416 1 5 . 1 1 60 60 MET N N 131 120.973 120.973 122.894 -1.921 18437
1417 1 5 . 1 1 60 60 MET HA H 131 4.415 4.415 4.364 0.051 18437
1418 1 5 . 1 1 60 60 MET CA C 131 55.677 55.677 56.855 -1.178 18437
1419 1 5 . 1 1 60 60 MET CB C 131 31.527 31.527 32.428 -0.901 18437
1420 1 5 . 1 1 60 60 MET H H 131 8.910 8.910 8.683 0.227 18437
1421 1 6 . 1 1 2 2 ASP N N 73 119.729 119.729 118.851 0.878 18437
1422 1 6 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.667 -0.047 18437
1423 1 6 . 1 1 2 2 ASP CA C 73 54.246 54.246 55.022 -0.776 18437
1424 1 6 . 1 1 2 2 ASP CB C 73 41.077 41.077 41.527 -0.450 18437
1425 1 6 . 1 1 2 2 ASP H H 73 8.508 8.508 8.528 -0.020 18437
1426 1 6 . 1 1 3 3 THR N N 74 114.613 114.613 114.666 -0.053 18437
1427 1 6 . 1 1 3 3 THR HA H 74 4.328 4.328 4.318 0.010 18437
1428 1 6 . 1 1 3 3 THR CA C 74 62.046 62.046 62.581 -0.534 18437
1429 1 6 . 1 1 3 3 THR CB C 74 69.779 69.779 70.935 -1.156 18437
1430 1 6 . 1 1 3 3 THR H H 74 8.047 8.047 7.915 0.132 18437
1431 1 6 . 1 1 4 4 VAL N N 75 123.803 123.803 120.397 3.406 18437
1432 1 6 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.800 0.323 18437
1433 1 6 . 1 1 4 4 VAL CA C 75 62.272 62.272 63.410 -1.138 18437
1434 1 6 . 1 1 4 4 VAL CB C 75 32.873 32.873 30.749 2.124 18437
1435 1 6 . 1 1 4 4 VAL H H 75 8.225 8.225 7.892 0.333 18437
1436 1 6 . 1 1 5 5 ILE N N 76 126.050 126.050 121.664 4.386 18437
1437 1 6 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.367 -0.195 18437
1438 1 6 . 1 1 5 5 ILE CA C 76 60.469 60.469 60.812 -0.343 18437
1439 1 6 . 1 1 5 5 ILE CB C 76 38.570 38.570 38.684 -0.115 18437
1440 1 6 . 1 1 5 5 ILE H H 76 8.349 8.349 7.689 0.660 18437
1441 1 6 . 1 1 6 6 LEU N N 77 127.505 127.505 128.503 -0.998 18437
1442 1 6 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.620 -0.246 18437
1443 1 6 . 1 1 6 6 LEU CA C 77 55.042 55.042 55.025 0.017 18437
1444 1 6 . 1 1 6 6 LEU CB C 77 42.700 42.700 42.600 0.100 18437
1445 1 6 . 1 1 6 6 LEU H H 77 8.408 8.408 8.393 0.015 18437
1446 1 6 . 1 1 7 7 ASP N N 78 122.422 122.422 127.041 -4.619 18437
1447 1 6 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.923 -0.114 18437
1448 1 6 . 1 1 7 7 ASP CA C 78 53.746 53.746 54.628 -0.882 18437
1449 1 6 . 1 1 7 7 ASP CB C 78 41.327 41.327 41.948 -0.621 18437
1450 1 6 . 1 1 7 7 ASP H H 78 8.468 8.468 8.788 -0.320 18437
1451 1 6 . 1 1 8 8 THR N N 79 115.682 115.682 112.553 3.129 18437
1452 1 6 . 1 1 8 8 THR HA H 79 4.237 4.237 4.564 -0.327 18437
1453 1 6 . 1 1 8 8 THR CA C 79 62.272 62.272 61.470 0.802 18437
1454 1 6 . 1 1 8 8 THR CB C 79 68.766 68.766 70.571 -1.805 18437
1455 1 6 . 1 1 8 8 THR H H 79 8.447 8.447 7.613 0.834 18437
1456 1 6 . 1 1 9 9 SER N N 80 118.485 118.485 116.516 1.969 18437
1457 1 6 . 1 1 9 9 SER HA H 80 4.349 4.349 4.664 -0.315 18437
1458 1 6 . 1 1 9 9 SER CA C 80 60.346 60.346 58.639 1.707 18437
1459 1 6 . 1 1 9 9 SER CB C 80 63.372 63.372 63.597 -0.225 18437
1460 1 6 . 1 1 9 9 SER H H 80 8.521 8.521 8.507 0.014 18437
1461 1 6 . 1 1 10 10 GLU N N 81 121.082 121.082 122.671 -1.589 18437
1462 1 6 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.488 -0.089 18437
1463 1 6 . 1 1 10 10 GLU CA C 81 55.946 55.946 55.914 0.032 18437
1464 1 6 . 1 1 10 10 GLU CB C 81 30.073 30.073 30.340 -0.267 18437
1465 1 6 . 1 1 10 10 GLU H H 81 8.192 8.192 8.405 -0.213 18437
1466 1 6 . 1 1 11 11 LEU N N 82 120.855 120.855 122.731 -1.876 18437
1467 1 6 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.561 -0.075 18437
1468 1 6 . 1 1 11 11 LEU CA C 82 54.319 54.319 54.389 -0.070 18437
1469 1 6 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.281 1.021 18437
1470 1 6 . 1 1 11 11 LEU H H 82 7.804 7.804 8.210 -0.406 18437
1471 1 6 . 1 1 12 12 VAL N N 83 119.700 119.700 120.748 -1.048 18437
1472 1 6 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.594 -0.165 18437
1473 1 6 . 1 1 12 12 VAL CA C 83 60.069 60.069 60.638 -0.569 18437
1474 1 6 . 1 1 12 12 VAL CB C 83 34.830 34.830 33.679 1.151 18437
1475 1 6 . 1 1 12 12 VAL H H 83 9.270 9.270 9.022 0.248 18437
1476 1 6 . 1 1 13 13 THR N N 84 118.866 118.866 123.033 -4.167 18437
1477 1 6 . 1 1 13 13 THR HA H 84 4.838 4.838 4.212 0.626 18437
1478 1 6 . 1 1 13 13 THR CA C 84 62.246 62.246 62.905 -0.659 18437
1479 1 6 . 1 1 13 13 THR CB C 84 68.463 68.463 69.186 -0.723 18437
1480 1 6 . 1 1 13 13 THR H H 84 8.380 8.380 8.576 -0.196 18437
1481 1 6 . 1 1 14 14 VAL N N 85 120.684 120.684 128.311 -7.627 18437
1482 1 6 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.265 0.521 18437
1483 1 6 . 1 1 14 14 VAL CA C 85 57.719 57.719 60.413 -2.694 18437
1484 1 6 . 1 1 14 14 VAL CB C 85 35.000 35.000 35.589 -0.589 18437
1485 1 6 . 1 1 14 14 VAL H H 85 8.678 8.678 8.316 0.362 18437
1486 1 6 . 1 1 15 15 VAL N N 86 116.897 116.897 128.513 -11.616 18437
1487 1 6 . 1 1 15 15 VAL HA H 86 4.583 4.583 5.028 -0.445 18437
1488 1 6 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.723 1.823 18437
1489 1 6 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.347 -0.647 18437
1490 1 6 . 1 1 15 15 VAL H H 86 8.926 8.926 8.808 0.118 18437
1491 1 6 . 1 1 16 16 ALA N N 87 127.774 127.774 130.729 -2.955 18437
1492 1 6 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.464 -0.107 18437
1493 1 6 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.439 1.088 18437
1494 1 6 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.808 -0.560 18437
1495 1 6 . 1 1 16 16 ALA H H 87 8.508 8.508 8.464 0.044 18437
1496 1 6 . 1 1 17 17 LEU N N 88 122.162 122.162 121.917 0.245 18437
1497 1 6 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.558 0.007 18437
1498 1 6 . 1 1 17 17 LEU CA C 88 55.019 55.019 56.032 -1.013 18437
1499 1 6 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.583 0.117 18437
1500 1 6 . 1 1 17 17 LEU H H 88 9.104 9.104 8.963 0.141 18437
1501 1 6 . 1 1 18 18 VAL N N 89 112.263 112.263 112.493 -0.230 18437
1502 1 6 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.421 0.111 18437
1503 1 6 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.666 -1.220 18437
1504 1 6 . 1 1 18 18 VAL CB C 89 36.300 36.300 35.192 1.108 18437
1505 1 6 . 1 1 18 18 VAL H H 89 7.444 7.444 7.563 -0.119 18437
1506 1 6 . 1 1 19 19 LYS N N 90 118.799 118.799 122.124 -3.325 18437
1507 1 6 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.247 0.335 18437
1508 1 6 . 1 1 19 19 LYS CA C 90 56.946 56.946 57.281 -0.334 18437
1509 1 6 . 1 1 19 19 LYS CB C 90 32.573 32.573 31.035 1.538 18437
1510 1 6 . 1 1 19 19 LYS H H 90 8.198 8.198 8.373 -0.175 18437
1511 1 6 . 1 1 20 20 LEU N N 91 124.814 124.814 125.913 -1.099 18437
1512 1 6 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.793 -0.043 18437
1513 1 6 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.503 -0.371 18437
1514 1 6 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.557 -0.157 18437
1515 1 6 . 1 1 20 20 LEU H H 91 8.351 8.351 7.877 0.474 18437
1516 1 6 . 1 1 21 21 HIS N N 92 121.971 121.971 123.745 -1.774 18437
1517 1 6 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.865 0.247 18437
1518 1 6 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.189 0.364 18437
1519 1 6 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.391 -0.164 18437
1520 1 6 . 1 1 21 21 HIS H H 92 8.555 8.555 8.573 -0.018 18437
1521 1 6 . 1 1 22 22 THR N N 93 119.332 119.332 117.397 1.935 18437
1522 1 6 . 1 1 22 22 THR HA H 93 4.492 4.492 4.471 0.021 18437
1523 1 6 . 1 1 22 22 THR CA C 93 59.546 59.546 60.280 -0.734 18437
1524 1 6 . 1 1 22 22 THR CB C 93 69.472 69.472 70.880 -1.409 18437
1525 1 6 . 1 1 22 22 THR H H 93 8.182 8.182 7.986 0.196 18437
1526 1 6 . 1 1 23 23 ASP N N 94 121.861 121.861 127.589 -5.728 18437
1527 1 6 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.155 -0.176 18437
1528 1 6 . 1 1 23 23 ASP CA C 94 53.673 53.673 52.660 1.014 18437
1529 1 6 . 1 1 23 23 ASP CB C 94 41.027 41.027 40.875 0.152 18437
1530 1 6 . 1 1 23 23 ASP H H 94 8.133 8.133 8.432 -0.299 18437
1531 1 6 . 1 1 24 24 ALA N N 95 125.785 125.785 128.347 -2.562 18437
1532 1 6 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.682 0.471 18437
1533 1 6 . 1 1 24 24 ALA CA C 95 50.916 50.916 50.725 0.191 18437
1534 1 6 . 1 1 24 24 ALA CB C 95 24.090 24.090 21.363 2.727 18437
1535 1 6 . 1 1 24 24 ALA H H 95 7.992 7.992 8.160 -0.168 18437
1536 1 6 . 1 1 25 25 LEU N N 96 120.726 120.726 124.850 -4.124 18437
1537 1 6 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.472 0.839 18437
1538 1 6 . 1 1 25 25 LEU CA C 96 53.416 53.416 53.528 -0.112 18437
1539 1 6 . 1 1 25 25 LEU CB C 96 46.000 46.000 42.239 3.761 18437
1540 1 6 . 1 1 25 25 LEU H H 96 8.661 8.661 8.598 0.063 18437
1541 1 6 . 1 1 26 26 HIS N N 97 121.175 121.175 126.025 -4.850 18437
1542 1 6 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.340 -0.071 18437
1543 1 6 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.947 1.369 18437
1544 1 6 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.889 0.084 18437
1545 1 6 . 1 1 26 26 HIS H H 97 8.725 8.725 8.373 0.352 18437
1546 1 6 . 1 1 27 27 ALA N N 98 126.618 126.618 130.352 -3.734 18437
1547 1 6 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.307 -0.548 18437
1548 1 6 . 1 1 27 27 ALA CA C 98 56.672 56.672 53.951 2.721 18437
1549 1 6 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.482 -0.105 18437
1550 1 6 . 1 1 27 27 ALA H H 98 8.260 8.260 8.699 -0.439 18437
1551 1 6 . 1 1 28 28 THR N N 99 107.369 107.369 109.231 -1.862 18437
1552 1 6 . 1 1 28 28 THR HA H 99 4.584 4.584 4.182 0.402 18437
1553 1 6 . 1 1 28 28 THR CA C 99 61.872 61.872 62.712 -0.841 18437
1554 1 6 . 1 1 28 28 THR CB C 99 70.442 70.442 69.073 1.369 18437
1555 1 6 . 1 1 28 28 THR H H 99 10.304 10.304 8.239 2.065 18437
1556 1 6 . 1 1 29 29 ARG N N 100 124.395 124.395 121.136 3.259 18437
1557 1 6 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.508 0.059 18437
1558 1 6 . 1 1 29 29 ARG CA C 100 55.246 55.246 54.821 0.425 18437
1559 1 6 . 1 1 29 29 ARG CB C 100 32.673 32.673 31.655 1.018 18437
1560 1 6 . 1 1 29 29 ARG H H 100 9.037 9.037 7.812 1.225 18437
1561 1 6 . 1 1 30 30 ASP N N 101 124.596 124.596 121.397 3.199 18437
1562 1 6 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.858 -0.125 18437
1563 1 6 . 1 1 30 30 ASP CA C 101 52.916 52.916 54.056 -1.139 18437
1564 1 6 . 1 1 30 30 ASP CB C 101 38.097 38.097 40.352 -2.255 18437
1565 1 6 . 1 1 30 30 ASP H H 101 8.898 8.898 8.438 0.460 18437
1566 1 6 . 1 1 31 31 GLU N N 102 121.916 121.916 121.110 0.806 18437
1567 1 6 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.665 0.253 18437
1568 1 6 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.173 -1.627 18437
1569 1 6 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.598 0.464 18437
1570 1 6 . 1 1 31 31 GLU H H 102 7.876 7.876 8.282 -0.406 18437
1571 1 6 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.463 0.636 18437
1572 1 6 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.572 0.117 18437
1573 1 6 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.457 0.683 18437
1574 1 6 . 1 1 33 33 VAL N N 104 118.661 118.661 119.877 -1.216 18437
1575 1 6 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.114 0.289 18437
1576 1 6 . 1 1 33 33 VAL CA C 104 61.216 61.216 61.545 -0.329 18437
1577 1 6 . 1 1 33 33 VAL CB C 104 35.543 35.543 33.891 1.652 18437
1578 1 6 . 1 1 33 33 VAL H H 104 8.362 8.362 7.851 0.511 18437
1579 1 6 . 1 1 34 34 ALA N N 105 126.902 126.902 129.155 -2.253 18437
1580 1 6 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.596 0.574 18437
1581 1 6 . 1 1 34 34 ALA CA C 105 51.622 51.622 52.163 -0.541 18437
1582 1 6 . 1 1 34 34 ALA CB C 105 21.017 21.017 21.011 0.006 18437
1583 1 6 . 1 1 34 34 ALA H H 105 8.726 8.726 8.378 0.348 18437
1584 1 6 . 1 1 35 35 PHE N N 106 119.156 119.156 113.636 5.520 18437
1585 1 6 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.483 0.753 18437
1586 1 6 . 1 1 35 35 PHE CA C 106 56.646 56.646 55.199 1.447 18437
1587 1 6 . 1 1 35 35 PHE CB C 106 41.300 41.300 40.758 0.542 18437
1588 1 6 . 1 1 35 35 PHE H H 106 7.597 7.597 6.929 0.668 18437
1589 1 6 . 1 1 36 36 VAL N N 107 120.344 120.344 118.926 1.418 18437
1590 1 6 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.335 -0.116 18437
1591 1 6 . 1 1 36 36 VAL CA C 107 59.546 59.546 59.114 0.432 18437
1592 1 6 . 1 1 36 36 VAL CB C 107 35.200 35.200 33.960 1.240 18437
1593 1 6 . 1 1 36 36 VAL H H 107 8.267 8.267 8.439 -0.172 18437
1594 1 6 . 1 1 37 37 LEU N N 108 121.820 121.820 120.854 0.966 18437
1595 1 6 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.891 -0.462 18437
1596 1 6 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.946 -0.080 18437
1597 1 6 . 1 1 37 37 LEU CB C 108 41.100 41.100 43.347 -2.247 18437
1598 1 6 . 1 1 37 37 LEU H H 108 7.737 7.737 8.380 -0.643 18437
1599 1 6 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.532 -0.821 18437
1600 1 6 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.530 0.142 18437
1601 1 6 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.345 0.728 18437
1602 1 6 . 1 1 39 39 GLY N N 110 112.032 112.032 111.888 0.144 18437
1603 1 6 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.297 -0.454 18437
1604 1 6 . 1 1 39 39 GLY H H 110 9.026 9.026 8.357 0.669 18437
1605 1 6 . 1 1 40 40 THR N N 111 119.141 119.141 119.678 -0.537 18437
1606 1 6 . 1 1 40 40 THR HA H 111 4.330 4.330 4.543 -0.213 18437
1607 1 6 . 1 1 40 40 THR CA C 111 63.346 63.346 62.424 0.922 18437
1608 1 6 . 1 1 40 40 THR CB C 111 69.512 69.512 70.044 -0.532 18437
1609 1 6 . 1 1 40 40 THR H H 111 8.039 8.039 7.943 0.096 18437
1610 1 6 . 1 1 41 41 ALA N N 112 131.125 131.125 129.344 1.781 18437
1611 1 6 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.531 1.176 18437
1612 1 6 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.158 -0.846 18437
1613 1 6 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.555 0.367 18437
1614 1 6 . 1 1 41 41 ALA H H 112 8.900 8.900 8.568 0.332 18437
1615 1 6 . 1 1 42 42 PHE N N 113 116.476 116.476 122.110 -5.634 18437
1616 1 6 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.933 -0.275 18437
1617 1 6 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.335 1.337 18437
1618 1 6 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.448 -3.055 18437
1619 1 6 . 1 1 42 42 PHE H H 113 9.220 9.220 8.578 0.642 18437
1620 1 6 . 1 1 43 43 ARG N N 114 117.116 117.116 124.041 -6.925 18437
1621 1 6 . 1 1 43 43 ARG HA H 114 5.640 5.640 5.077 0.563 18437
1622 1 6 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.900 -0.830 18437
1623 1 6 . 1 1 43 43 ARG CB C 114 34.900 34.900 30.936 3.964 18437
1624 1 6 . 1 1 43 43 ARG H H 114 9.145 9.145 8.597 0.548 18437
1625 1 6 . 1 1 44 44 VAL N N 115 113.755 113.755 119.015 -5.260 18437
1626 1 6 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.703 0.150 18437
1627 1 6 . 1 1 44 44 VAL CA C 115 58.772 58.772 58.394 0.378 18437
1628 1 6 . 1 1 44 44 VAL CB C 115 37.500 37.500 34.782 2.718 18437
1629 1 6 . 1 1 44 44 VAL H H 115 8.441 8.441 8.816 -0.375 18437
1630 1 6 . 1 1 45 45 SER N N 116 115.947 115.947 115.302 0.645 18437
1631 1 6 . 1 1 45 45 SER HA H 116 4.530 4.530 4.557 -0.027 18437
1632 1 6 . 1 1 45 45 SER CA C 116 58.168 58.168 57.795 0.373 18437
1633 1 6 . 1 1 45 45 SER CB C 116 64.399 64.399 63.415 0.984 18437
1634 1 6 . 1 1 45 45 SER H H 116 8.723 8.723 8.456 0.267 18437
1635 1 6 . 1 1 46 46 ALA N N 117 123.625 123.625 126.899 -3.274 18437
1636 1 6 . 1 1 46 46 ALA HA H 117 3.980 3.980 3.946 0.034 18437
1637 1 6 . 1 1 46 46 ALA CA C 117 55.772 55.772 55.514 0.258 18437
1638 1 6 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.657 -0.546 18437
1639 1 6 . 1 1 46 46 ALA H H 117 9.143 9.143 8.846 0.297 18437
1640 1 6 . 1 1 47 47 GLY N N 118 106.332 106.332 104.366 1.966 18437
1641 1 6 . 1 1 47 47 GLY CA C 118 46.900 46.900 45.785 1.115 18437
1642 1 6 . 1 1 47 47 GLY H H 118 8.937 8.937 8.360 0.577 18437
1643 1 6 . 1 1 48 48 VAL N N 119 124.965 124.965 123.179 1.786 18437
1644 1 6 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.698 0.145 18437
1645 1 6 . 1 1 48 48 VAL CA C 119 65.816 65.816 65.556 0.259 18437
1646 1 6 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.885 0.082 18437
1647 1 6 . 1 1 48 48 VAL H H 119 7.376 7.376 7.506 -0.130 18437
1648 1 6 . 1 1 49 49 ALA N N 120 122.605 122.605 122.198 0.407 18437
1649 1 6 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.854 -0.182 18437
1650 1 6 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.301 0.171 18437
1651 1 6 . 1 1 49 49 ALA CB C 120 18.454 18.454 18.032 0.422 18437
1652 1 6 . 1 1 49 49 ALA H H 120 8.805 8.805 8.459 0.346 18437
1653 1 6 . 1 1 50 50 ALA N N 121 119.852 119.852 119.987 -0.135 18437
1654 1 6 . 1 1 50 50 ALA HA H 121 4.088 4.088 3.982 0.106 18437
1655 1 6 . 1 1 50 50 ALA CA C 121 54.946 54.946 54.956 -0.010 18437
1656 1 6 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.207 -0.529 18437
1657 1 6 . 1 1 50 50 ALA H H 121 7.976 7.976 7.813 0.163 18437
1658 1 6 . 1 1 51 51 GLU N N 122 118.977 118.977 119.012 -0.035 18437
1659 1 6 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.147 -0.001 18437
1660 1 6 . 1 1 51 51 GLU CA C 122 59.272 59.272 58.973 0.299 18437
1661 1 6 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.705 -0.005 18437
1662 1 6 . 1 1 51 51 GLU H H 122 7.369 7.369 7.691 -0.322 18437
1663 1 6 . 1 1 52 52 MET N N 123 116.735 116.735 117.437 -0.702 18437
1664 1 6 . 1 1 52 52 MET HA H 123 3.941 3.941 4.200 -0.259 18437
1665 1 6 . 1 1 52 52 MET CA C 123 60.416 60.416 58.185 2.231 18437
1666 1 6 . 1 1 52 52 MET CB C 123 33.973 33.973 31.861 2.112 18437
1667 1 6 . 1 1 52 52 MET H H 123 8.794 8.794 8.030 0.764 18437
1668 1 6 . 1 1 53 53 THR N N 124 112.866 112.866 110.182 2.684 18437
1669 1 6 . 1 1 53 53 THR HA H 124 4.605 4.605 4.297 0.308 18437
1670 1 6 . 1 1 53 53 THR CA C 124 64.742 64.742 64.980 -0.238 18437
1671 1 6 . 1 1 53 53 THR CB C 124 68.392 68.392 68.899 -0.507 18437
1672 1 6 . 1 1 53 53 THR H H 124 8.622 8.622 8.218 0.404 18437
1673 1 6 . 1 1 54 54 GLU N N 125 125.722 125.722 120.161 5.561 18437
1674 1 6 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.168 -0.025 18437
1675 1 6 . 1 1 54 54 GLU CA C 125 59.639 59.639 58.257 1.382 18437
1676 1 6 . 1 1 54 54 GLU H H 125 8.054 8.054 7.554 0.500 18437
1677 1 6 . 1 1 55 55 ARG N N 126 114.393 114.393 118.295 -3.902 18437
1678 1 6 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.318 0.055 18437
1679 1 6 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.751 -0.279 18437
1680 1 6 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.584 1.216 18437
1681 1 6 . 1 1 55 55 ARG H H 126 7.703 7.703 7.862 -0.159 18437
1682 1 6 . 1 1 56 56 GLY N N 127 107.070 107.070 105.589 1.481 18437
1683 1 6 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.572 0.628 18437
1684 1 6 . 1 1 56 56 GLY H H 127 7.759 7.759 8.177 -0.418 18437
1685 1 6 . 1 1 57 57 LEU N N 128 116.338 116.338 117.235 -0.897 18437
1686 1 6 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.655 -0.284 18437
1687 1 6 . 1 1 57 57 LEU CA C 128 55.572 55.572 54.774 0.798 18437
1688 1 6 . 1 1 57 57 LEU CB C 128 42.427 42.427 43.328 -0.901 18437
1689 1 6 . 1 1 57 57 LEU H H 128 8.293 8.293 7.638 0.655 18437
1690 1 6 . 1 1 58 58 ALA N N 129 116.379 116.379 119.560 -3.181 18437
1691 1 6 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.886 0.244 18437
1692 1 6 . 1 1 58 58 ALA CA C 129 50.142 50.142 50.832 -0.690 18437
1693 1 6 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.332 0.976 18437
1694 1 6 . 1 1 58 58 ALA H H 129 7.351 7.351 7.430 -0.079 18437
1695 1 6 . 1 1 59 59 ARG N N 130 115.969 115.969 120.282 -4.313 18437
1696 1 6 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.868 0.054 18437
1697 1 6 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.579 -1.390 18437
1698 1 6 . 1 1 59 59 ARG CB C 130 33.453 33.453 34.697 -1.244 18437
1699 1 6 . 1 1 59 59 ARG H H 130 8.771 8.771 8.815 -0.044 18437
1700 1 6 . 1 1 60 60 MET N N 131 120.973 120.973 122.855 -1.882 18437
1701 1 6 . 1 1 60 60 MET HA H 131 4.415 4.415 4.322 0.093 18437
1702 1 6 . 1 1 60 60 MET CA C 131 55.677 55.677 57.006 -1.329 18437
1703 1 6 . 1 1 60 60 MET CB C 131 31.527 31.527 32.369 -0.842 18437
1704 1 6 . 1 1 60 60 MET H H 131 8.910 8.910 8.698 0.212 18437
1705 1 7 . 1 1 2 2 ASP N N 73 119.729 119.729 119.791 -0.062 18437
1706 1 7 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.615 0.005 18437
1707 1 7 . 1 1 2 2 ASP CA C 73 54.246 54.246 55.023 -0.777 18437
1708 1 7 . 1 1 2 2 ASP CB C 73 41.077 41.077 40.291 0.786 18437
1709 1 7 . 1 1 2 2 ASP H H 73 8.508 8.508 8.227 0.281 18437
1710 1 7 . 1 1 3 3 THR N N 74 114.613 114.613 114.937 -0.324 18437
1711 1 7 . 1 1 3 3 THR HA H 74 4.328 4.328 4.339 -0.011 18437
1712 1 7 . 1 1 3 3 THR CA C 74 62.046 62.046 62.266 -0.220 18437
1713 1 7 . 1 1 3 3 THR CB C 74 69.779 69.779 69.906 -0.127 18437
1714 1 7 . 1 1 3 3 THR H H 74 8.047 8.047 7.929 0.118 18437
1715 1 7 . 1 1 4 4 VAL N N 75 123.803 123.803 120.409 3.394 18437
1716 1 7 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.896 0.227 18437
1717 1 7 . 1 1 4 4 VAL CA C 75 62.272 62.272 62.117 0.155 18437
1718 1 7 . 1 1 4 4 VAL CB C 75 32.873 32.873 30.183 2.690 18437
1719 1 7 . 1 1 4 4 VAL H H 75 8.225 8.225 7.959 0.266 18437
1720 1 7 . 1 1 5 5 ILE N N 76 126.050 126.050 122.305 3.745 18437
1721 1 7 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.392 -0.220 18437
1722 1 7 . 1 1 5 5 ILE CA C 76 60.469 60.469 59.619 0.850 18437
1723 1 7 . 1 1 5 5 ILE CB C 76 38.570 38.570 37.750 0.820 18437
1724 1 7 . 1 1 5 5 ILE H H 76 8.349 8.349 7.732 0.617 18437
1725 1 7 . 1 1 6 6 LEU N N 77 127.505 127.505 130.624 -3.119 18437
1726 1 7 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.658 -0.284 18437
1727 1 7 . 1 1 6 6 LEU CA C 77 55.042 55.042 54.725 0.317 18437
1728 1 7 . 1 1 6 6 LEU CB C 77 42.700 42.700 42.143 0.557 18437
1729 1 7 . 1 1 6 6 LEU H H 77 8.408 8.408 8.527 -0.119 18437
1730 1 7 . 1 1 7 7 ASP N N 78 122.422 122.422 127.271 -4.849 18437
1731 1 7 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.915 -0.106 18437
1732 1 7 . 1 1 7 7 ASP CA C 78 53.746 53.746 54.136 -0.390 18437
1733 1 7 . 1 1 7 7 ASP CB C 78 41.327 41.327 40.883 0.444 18437
1734 1 7 . 1 1 7 7 ASP H H 78 8.468 8.468 8.687 -0.219 18437
1735 1 7 . 1 1 8 8 THR N N 79 115.682 115.682 113.933 1.749 18437
1736 1 7 . 1 1 8 8 THR HA H 79 4.237 4.237 4.767 -0.530 18437
1737 1 7 . 1 1 8 8 THR CA C 79 62.272 62.272 60.863 1.409 18437
1738 1 7 . 1 1 8 8 THR CB C 79 68.766 68.766 70.484 -1.718 18437
1739 1 7 . 1 1 8 8 THR H H 79 8.447 8.447 8.074 0.373 18437
1740 1 7 . 1 1 9 9 SER N N 80 118.485 118.485 116.358 2.127 18437
1741 1 7 . 1 1 9 9 SER HA H 80 4.349 4.349 4.665 -0.316 18437
1742 1 7 . 1 1 9 9 SER CA C 80 60.346 60.346 58.633 1.713 18437
1743 1 7 . 1 1 9 9 SER CB C 80 63.372 63.372 63.653 -0.281 18437
1744 1 7 . 1 1 9 9 SER H H 80 8.521 8.521 8.457 0.064 18437
1745 1 7 . 1 1 10 10 GLU N N 81 121.082 121.082 122.984 -1.902 18437
1746 1 7 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.529 -0.130 18437
1747 1 7 . 1 1 10 10 GLU CA C 81 55.946 55.946 55.815 0.131 18437
1748 1 7 . 1 1 10 10 GLU CB C 81 30.073 30.073 29.905 0.168 18437
1749 1 7 . 1 1 10 10 GLU H H 81 8.192 8.192 8.557 -0.365 18437
1750 1 7 . 1 1 11 11 LEU N N 82 120.855 120.855 122.301 -1.446 18437
1751 1 7 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.464 0.022 18437
1752 1 7 . 1 1 11 11 LEU CA C 82 54.319 54.319 54.956 -0.637 18437
1753 1 7 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.394 0.908 18437
1754 1 7 . 1 1 11 11 LEU H H 82 7.804 7.804 8.297 -0.493 18437
1755 1 7 . 1 1 12 12 VAL N N 83 119.700 119.700 119.226 0.474 18437
1756 1 7 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.601 -0.172 18437
1757 1 7 . 1 1 12 12 VAL CA C 83 60.069 60.069 60.077 -0.008 18437
1758 1 7 . 1 1 12 12 VAL CB C 83 34.830 34.830 34.570 0.260 18437
1759 1 7 . 1 1 12 12 VAL H H 83 9.270 9.270 8.962 0.308 18437
1760 1 7 . 1 1 13 13 THR N N 84 118.866 118.866 123.801 -4.935 18437
1761 1 7 . 1 1 13 13 THR HA H 84 4.838 4.838 4.222 0.616 18437
1762 1 7 . 1 1 13 13 THR CA C 84 62.246 62.246 63.608 -1.362 18437
1763 1 7 . 1 1 13 13 THR CB C 84 68.463 68.463 68.997 -0.534 18437
1764 1 7 . 1 1 13 13 THR H H 84 8.380 8.380 8.562 -0.182 18437
1765 1 7 . 1 1 14 14 VAL N N 85 120.684 120.684 127.546 -6.862 18437
1766 1 7 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.393 0.393 18437
1767 1 7 . 1 1 14 14 VAL CA C 85 57.719 57.719 60.176 -2.457 18437
1768 1 7 . 1 1 14 14 VAL CB C 85 35.000 35.000 34.937 0.063 18437
1769 1 7 . 1 1 14 14 VAL H H 85 8.678 8.678 8.501 0.177 18437
1770 1 7 . 1 1 15 15 VAL N N 86 116.897 116.897 128.036 -11.139 18437
1771 1 7 . 1 1 15 15 VAL HA H 86 4.583 4.583 5.029 -0.446 18437
1772 1 7 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.812 1.734 18437
1773 1 7 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.623 -0.923 18437
1774 1 7 . 1 1 15 15 VAL H H 86 8.926 8.926 8.951 -0.025 18437
1775 1 7 . 1 1 16 16 ALA N N 87 127.774 127.774 130.293 -2.519 18437
1776 1 7 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.491 -0.134 18437
1777 1 7 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.385 1.142 18437
1778 1 7 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.814 -0.566 18437
1779 1 7 . 1 1 16 16 ALA H H 87 8.508 8.508 8.492 0.016 18437
1780 1 7 . 1 1 17 17 LEU N N 88 122.162 122.162 121.665 0.497 18437
1781 1 7 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.581 -0.016 18437
1782 1 7 . 1 1 17 17 LEU CA C 88 55.019 55.019 56.005 -0.986 18437
1783 1 7 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.577 0.123 18437
1784 1 7 . 1 1 17 17 LEU H H 88 9.104 9.104 8.910 0.194 18437
1785 1 7 . 1 1 18 18 VAL N N 89 112.263 112.263 113.245 -0.982 18437
1786 1 7 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.522 0.010 18437
1787 1 7 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.518 -1.072 18437
1788 1 7 . 1 1 18 18 VAL CB C 89 36.300 36.300 35.161 1.139 18437
1789 1 7 . 1 1 18 18 VAL H H 89 7.444 7.444 7.520 -0.076 18437
1790 1 7 . 1 1 19 19 LYS N N 90 118.799 118.799 122.636 -3.837 18437
1791 1 7 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.199 0.383 18437
1792 1 7 . 1 1 19 19 LYS CA C 90 56.946 56.946 57.312 -0.366 18437
1793 1 7 . 1 1 19 19 LYS CB C 90 32.573 32.573 31.056 1.517 18437
1794 1 7 . 1 1 19 19 LYS H H 90 8.198 8.198 8.422 -0.224 18437
1795 1 7 . 1 1 20 20 LEU N N 91 124.814 124.814 125.748 -0.934 18437
1796 1 7 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.817 -0.067 18437
1797 1 7 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.397 -0.265 18437
1798 1 7 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.383 0.017 18437
1799 1 7 . 1 1 20 20 LEU H H 91 8.351 8.351 7.845 0.506 18437
1800 1 7 . 1 1 21 21 HIS N N 92 121.971 121.971 123.291 -1.320 18437
1801 1 7 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.847 0.265 18437
1802 1 7 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.572 -0.019 18437
1803 1 7 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.124 0.103 18437
1804 1 7 . 1 1 21 21 HIS H H 92 8.555 8.555 8.637 -0.082 18437
1805 1 7 . 1 1 22 22 THR N N 93 119.332 119.332 117.581 1.751 18437
1806 1 7 . 1 1 22 22 THR HA H 93 4.492 4.492 4.464 0.028 18437
1807 1 7 . 1 1 22 22 THR CA C 93 59.546 59.546 60.412 -0.866 18437
1808 1 7 . 1 1 22 22 THR CB C 93 69.472 69.472 70.337 -0.865 18437
1809 1 7 . 1 1 22 22 THR H H 93 8.182 8.182 7.909 0.273 18437
1810 1 7 . 1 1 23 23 ASP N N 94 121.861 121.861 127.148 -5.287 18437
1811 1 7 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.218 -0.239 18437
1812 1 7 . 1 1 23 23 ASP CA C 94 53.673 53.673 52.900 0.773 18437
1813 1 7 . 1 1 23 23 ASP CB C 94 41.027 41.027 40.883 0.144 18437
1814 1 7 . 1 1 23 23 ASP H H 94 8.133 8.133 8.482 -0.349 18437
1815 1 7 . 1 1 24 24 ALA N N 95 125.785 125.785 127.979 -2.194 18437
1816 1 7 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.683 0.470 18437
1817 1 7 . 1 1 24 24 ALA CA C 95 50.916 50.916 50.723 0.193 18437
1818 1 7 . 1 1 24 24 ALA CB C 95 24.090 24.090 21.411 2.679 18437
1819 1 7 . 1 1 24 24 ALA H H 95 7.992 7.992 8.169 -0.177 18437
1820 1 7 . 1 1 25 25 LEU N N 96 120.726 120.726 126.365 -5.639 18437
1821 1 7 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.383 0.928 18437
1822 1 7 . 1 1 25 25 LEU CA C 96 53.416 53.416 54.029 -0.613 18437
1823 1 7 . 1 1 25 25 LEU CB C 96 46.000 46.000 41.973 4.027 18437
1824 1 7 . 1 1 25 25 LEU H H 96 8.661 8.661 8.559 0.102 18437
1825 1 7 . 1 1 26 26 HIS N N 97 121.175 121.175 124.783 -3.608 18437
1826 1 7 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.351 -0.082 18437
1827 1 7 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.859 1.457 18437
1828 1 7 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.916 0.057 18437
1829 1 7 . 1 1 26 26 HIS H H 97 8.725 8.725 8.017 0.708 18437
1830 1 7 . 1 1 27 27 ALA N N 98 126.618 126.618 130.009 -3.391 18437
1831 1 7 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.337 -0.578 18437
1832 1 7 . 1 1 27 27 ALA CA C 98 56.672 56.672 53.879 2.793 18437
1833 1 7 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.309 0.068 18437
1834 1 7 . 1 1 27 27 ALA H H 98 8.260 8.260 8.687 -0.427 18437
1835 1 7 . 1 1 28 28 THR N N 99 107.369 107.369 111.783 -4.414 18437
1836 1 7 . 1 1 28 28 THR HA H 99 4.584 4.584 4.135 0.449 18437
1837 1 7 . 1 1 28 28 THR CA C 99 61.872 61.872 62.998 -1.126 18437
1838 1 7 . 1 1 28 28 THR CB C 99 70.442 70.442 69.197 1.245 18437
1839 1 7 . 1 1 28 28 THR H H 99 10.304 10.304 8.167 2.137 18437
1840 1 7 . 1 1 29 29 ARG N N 100 124.395 124.395 120.084 4.311 18437
1841 1 7 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.457 0.110 18437
1842 1 7 . 1 1 29 29 ARG CA C 100 55.246 55.246 54.519 0.727 18437
1843 1 7 . 1 1 29 29 ARG CB C 100 32.673 32.673 31.376 1.297 18437
1844 1 7 . 1 1 29 29 ARG H H 100 9.037 9.037 7.850 1.187 18437
1845 1 7 . 1 1 30 30 ASP N N 101 124.596 124.596 121.425 3.171 18437
1846 1 7 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.820 -0.087 18437
1847 1 7 . 1 1 30 30 ASP CA C 101 52.916 52.916 54.073 -1.157 18437
1848 1 7 . 1 1 30 30 ASP CB C 101 38.097 38.097 40.587 -2.490 18437
1849 1 7 . 1 1 30 30 ASP H H 101 8.898 8.898 8.450 0.448 18437
1850 1 7 . 1 1 31 31 GLU N N 102 121.916 121.916 121.263 0.653 18437
1851 1 7 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.683 0.235 18437
1852 1 7 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.550 -2.004 18437
1853 1 7 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.920 0.142 18437
1854 1 7 . 1 1 31 31 GLU H H 102 7.876 7.876 8.325 -0.449 18437
1855 1 7 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.446 0.653 18437
1856 1 7 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.369 0.320 18437
1857 1 7 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.600 0.540 18437
1858 1 7 . 1 1 33 33 VAL N N 104 118.661 118.661 120.170 -1.509 18437
1859 1 7 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.158 0.245 18437
1860 1 7 . 1 1 33 33 VAL CA C 104 61.216 61.216 60.633 0.583 18437
1861 1 7 . 1 1 33 33 VAL CB C 104 35.543 35.543 33.006 2.537 18437
1862 1 7 . 1 1 33 33 VAL H H 104 8.362 8.362 7.903 0.459 18437
1863 1 7 . 1 1 34 34 ALA N N 105 126.902 126.902 128.877 -1.975 18437
1864 1 7 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.577 0.593 18437
1865 1 7 . 1 1 34 34 ALA CA C 105 51.622 51.622 52.183 -0.561 18437
1866 1 7 . 1 1 34 34 ALA CB C 105 21.017 21.017 21.257 -0.240 18437
1867 1 7 . 1 1 34 34 ALA H H 105 8.726 8.726 8.387 0.339 18437
1868 1 7 . 1 1 35 35 PHE N N 106 119.156 119.156 113.367 5.789 18437
1869 1 7 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.425 0.811 18437
1870 1 7 . 1 1 35 35 PHE CA C 106 56.646 56.646 55.230 1.416 18437
1871 1 7 . 1 1 35 35 PHE CB C 106 41.300 41.300 39.996 1.304 18437
1872 1 7 . 1 1 35 35 PHE H H 106 7.597 7.597 6.932 0.665 18437
1873 1 7 . 1 1 36 36 VAL N N 107 120.344 120.344 118.209 2.135 18437
1874 1 7 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.302 -0.083 18437
1875 1 7 . 1 1 36 36 VAL CA C 107 59.546 59.546 59.707 -0.161 18437
1876 1 7 . 1 1 36 36 VAL CB C 107 35.200 35.200 34.143 1.057 18437
1877 1 7 . 1 1 36 36 VAL H H 107 8.267 8.267 8.436 -0.169 18437
1878 1 7 . 1 1 37 37 LEU N N 108 121.820 121.820 120.799 1.021 18437
1879 1 7 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.870 -0.441 18437
1880 1 7 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.551 0.315 18437
1881 1 7 . 1 1 37 37 LEU CB C 108 41.100 41.100 42.810 -1.710 18437
1882 1 7 . 1 1 37 37 LEU H H 108 7.737 7.737 8.438 -0.701 18437
1883 1 7 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.511 -0.800 18437
1884 1 7 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.540 0.132 18437
1885 1 7 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.333 0.740 18437
1886 1 7 . 1 1 39 39 GLY N N 110 112.032 112.032 111.961 0.071 18437
1887 1 7 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.290 -0.447 18437
1888 1 7 . 1 1 39 39 GLY H H 110 9.026 9.026 8.381 0.645 18437
1889 1 7 . 1 1 40 40 THR N N 111 119.141 119.141 120.156 -1.015 18437
1890 1 7 . 1 1 40 40 THR HA H 111 4.330 4.330 4.568 -0.238 18437
1891 1 7 . 1 1 40 40 THR CA C 111 63.346 63.346 61.918 1.428 18437
1892 1 7 . 1 1 40 40 THR CB C 111 69.512 69.512 69.848 -0.336 18437
1893 1 7 . 1 1 40 40 THR H H 111 8.039 8.039 7.903 0.136 18437
1894 1 7 . 1 1 41 41 ALA N N 112 131.125 131.125 129.068 2.057 18437
1895 1 7 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.534 1.173 18437
1896 1 7 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.229 -0.917 18437
1897 1 7 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.566 0.356 18437
1898 1 7 . 1 1 41 41 ALA H H 112 8.900 8.900 8.525 0.375 18437
1899 1 7 . 1 1 42 42 PHE N N 113 116.476 116.476 121.468 -4.992 18437
1900 1 7 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.891 -0.233 18437
1901 1 7 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.395 1.277 18437
1902 1 7 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.677 -3.284 18437
1903 1 7 . 1 1 42 42 PHE H H 113 9.220 9.220 8.621 0.599 18437
1904 1 7 . 1 1 43 43 ARG N N 114 117.116 117.116 123.511 -6.395 18437
1905 1 7 . 1 1 43 43 ARG HA H 114 5.640 5.640 5.170 0.470 18437
1906 1 7 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.470 -0.400 18437
1907 1 7 . 1 1 43 43 ARG CB C 114 34.900 34.900 31.047 3.853 18437
1908 1 7 . 1 1 43 43 ARG H H 114 9.145 9.145 8.541 0.604 18437
1909 1 7 . 1 1 44 44 VAL N N 115 113.755 113.755 116.918 -3.163 18437
1910 1 7 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.682 0.171 18437
1911 1 7 . 1 1 44 44 VAL CA C 115 58.772 58.772 59.189 -0.417 18437
1912 1 7 . 1 1 44 44 VAL CB C 115 37.500 37.500 35.714 1.786 18437
1913 1 7 . 1 1 44 44 VAL H H 115 8.441 8.441 8.825 -0.384 18437
1914 1 7 . 1 1 45 45 SER N N 116 115.947 115.947 115.062 0.885 18437
1915 1 7 . 1 1 45 45 SER HA H 116 4.530 4.530 4.553 -0.023 18437
1916 1 7 . 1 1 45 45 SER CA C 116 58.168 58.168 58.289 -0.122 18437
1917 1 7 . 1 1 45 45 SER CB C 116 64.399 64.399 63.744 0.655 18437
1918 1 7 . 1 1 45 45 SER H H 116 8.723 8.723 8.512 0.211 18437
1919 1 7 . 1 1 46 46 ALA N N 117 123.625 123.625 126.557 -2.932 18437
1920 1 7 . 1 1 46 46 ALA HA H 117 3.980 3.980 3.953 0.027 18437
1921 1 7 . 1 1 46 46 ALA CA C 117 55.772 55.772 55.223 0.549 18437
1922 1 7 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.596 -0.486 18437
1923 1 7 . 1 1 46 46 ALA H H 117 9.143 9.143 8.929 0.214 18437
1924 1 7 . 1 1 47 47 GLY N N 118 106.332 106.332 104.489 1.843 18437
1925 1 7 . 1 1 47 47 GLY CA C 118 46.900 46.900 45.819 1.081 18437
1926 1 7 . 1 1 47 47 GLY H H 118 8.937 8.937 8.319 0.618 18437
1927 1 7 . 1 1 48 48 VAL N N 119 124.965 124.965 122.956 2.009 18437
1928 1 7 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.726 0.117 18437
1929 1 7 . 1 1 48 48 VAL CA C 119 65.816 65.816 65.166 0.650 18437
1930 1 7 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.854 0.113 18437
1931 1 7 . 1 1 48 48 VAL H H 119 7.376 7.376 7.572 -0.196 18437
1932 1 7 . 1 1 49 49 ALA N N 120 122.605 122.605 121.597 1.008 18437
1933 1 7 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.911 -0.239 18437
1934 1 7 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.322 0.150 18437
1935 1 7 . 1 1 49 49 ALA CB C 120 18.454 18.454 17.919 0.535 18437
1936 1 7 . 1 1 49 49 ALA H H 120 8.805 8.805 8.486 0.319 18437
1937 1 7 . 1 1 50 50 ALA N N 121 119.852 119.852 120.333 -0.481 18437
1938 1 7 . 1 1 50 50 ALA HA H 121 4.088 4.088 4.001 0.087 18437
1939 1 7 . 1 1 50 50 ALA CA C 121 54.946 54.946 54.977 -0.031 18437
1940 1 7 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.231 -0.553 18437
1941 1 7 . 1 1 50 50 ALA H H 121 7.976 7.976 7.840 0.136 18437
1942 1 7 . 1 1 51 51 GLU N N 122 118.977 118.977 118.142 0.835 18437
1943 1 7 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.103 0.043 18437
1944 1 7 . 1 1 51 51 GLU CA C 122 59.272 59.272 59.134 0.138 18437
1945 1 7 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.741 -0.041 18437
1946 1 7 . 1 1 51 51 GLU H H 122 7.369 7.369 7.699 -0.330 18437
1947 1 7 . 1 1 52 52 MET N N 123 116.735 116.735 117.708 -0.973 18437
1948 1 7 . 1 1 52 52 MET HA H 123 3.941 3.941 4.221 -0.280 18437
1949 1 7 . 1 1 52 52 MET CA C 123 60.416 60.416 58.253 2.163 18437
1950 1 7 . 1 1 52 52 MET CB C 123 33.973 33.973 31.749 2.224 18437
1951 1 7 . 1 1 52 52 MET H H 123 8.794 8.794 8.170 0.624 18437
1952 1 7 . 1 1 53 53 THR N N 124 112.866 112.866 110.049 2.817 18437
1953 1 7 . 1 1 53 53 THR HA H 124 4.605 4.605 4.477 0.128 18437
1954 1 7 . 1 1 53 53 THR CA C 124 64.742 64.742 65.178 -0.436 18437
1955 1 7 . 1 1 53 53 THR CB C 124 68.392 68.392 68.751 -0.359 18437
1956 1 7 . 1 1 53 53 THR H H 124 8.622 8.622 8.291 0.331 18437
1957 1 7 . 1 1 54 54 GLU N N 125 125.722 125.722 121.113 4.609 18437
1958 1 7 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.150 -0.007 18437
1959 1 7 . 1 1 54 54 GLU CA C 125 59.639 59.639 58.210 1.429 18437
1960 1 7 . 1 1 54 54 GLU H H 125 8.054 8.054 7.614 0.440 18437
1961 1 7 . 1 1 55 55 ARG N N 126 114.393 114.393 117.504 -3.111 18437
1962 1 7 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.300 0.073 18437
1963 1 7 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.870 -0.398 18437
1964 1 7 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.828 0.972 18437
1965 1 7 . 1 1 55 55 ARG H H 126 7.703 7.703 8.080 -0.377 18437
1966 1 7 . 1 1 56 56 GLY N N 127 107.070 107.070 105.896 1.174 18437
1967 1 7 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.670 0.530 18437
1968 1 7 . 1 1 56 56 GLY H H 127 7.759 7.759 8.144 -0.385 18437
1969 1 7 . 1 1 57 57 LEU N N 128 116.338 116.338 118.640 -2.302 18437
1970 1 7 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.565 -0.194 18437
1971 1 7 . 1 1 57 57 LEU CA C 128 55.572 55.572 55.214 0.358 18437
1972 1 7 . 1 1 57 57 LEU CB C 128 42.427 42.427 42.867 -0.440 18437
1973 1 7 . 1 1 57 57 LEU H H 128 8.293 8.293 7.572 0.721 18437
1974 1 7 . 1 1 58 58 ALA N N 129 116.379 116.379 119.129 -2.750 18437
1975 1 7 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.983 0.147 18437
1976 1 7 . 1 1 58 58 ALA CA C 129 50.142 50.142 50.934 -0.792 18437
1977 1 7 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.372 0.936 18437
1978 1 7 . 1 1 58 58 ALA H H 129 7.351 7.351 7.444 -0.093 18437
1979 1 7 . 1 1 59 59 ARG N N 130 115.969 115.969 120.591 -4.622 18437
1980 1 7 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.857 0.065 18437
1981 1 7 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.486 -1.297 18437
1982 1 7 . 1 1 59 59 ARG CB C 130 33.453 33.453 34.582 -1.129 18437
1983 1 7 . 1 1 59 59 ARG H H 130 8.771 8.771 8.959 -0.188 18437
1984 1 7 . 1 1 60 60 MET N N 131 120.973 120.973 123.184 -2.211 18437
1985 1 7 . 1 1 60 60 MET HA H 131 4.415 4.415 4.422 -0.007 18437
1986 1 7 . 1 1 60 60 MET CA C 131 55.677 55.677 56.464 -0.787 18437
1987 1 7 . 1 1 60 60 MET CB C 131 31.527 31.527 32.265 -0.738 18437
1988 1 7 . 1 1 60 60 MET H H 131 8.910 8.910 8.679 0.231 18437
1989 1 8 . 1 1 2 2 ASP N N 73 119.729 119.729 117.365 2.364 18437
1990 1 8 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.705 -0.085 18437
1991 1 8 . 1 1 2 2 ASP CA C 73 54.246 54.246 54.921 -0.675 18437
1992 1 8 . 1 1 2 2 ASP CB C 73 41.077 41.077 41.744 -0.667 18437
1993 1 8 . 1 1 2 2 ASP H H 73 8.508 8.508 8.607 -0.099 18437
1994 1 8 . 1 1 3 3 THR N N 74 114.613 114.613 115.362 -0.749 18437
1995 1 8 . 1 1 3 3 THR HA H 74 4.328 4.328 4.478 -0.150 18437
1996 1 8 . 1 1 3 3 THR CA C 74 62.046 62.046 62.120 -0.074 18437
1997 1 8 . 1 1 3 3 THR CB C 74 69.779 69.779 71.411 -1.632 18437
1998 1 8 . 1 1 3 3 THR H H 74 8.047 8.047 7.863 0.184 18437
1999 1 8 . 1 1 4 4 VAL N N 75 123.803 123.803 121.899 1.904 18437
2000 1 8 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.817 0.306 18437
2001 1 8 . 1 1 4 4 VAL CA C 75 62.272 62.272 63.390 -1.118 18437
2002 1 8 . 1 1 4 4 VAL CB C 75 32.873 32.873 31.078 1.795 18437
2003 1 8 . 1 1 4 4 VAL H H 75 8.225 8.225 8.011 0.214 18437
2004 1 8 . 1 1 5 5 ILE N N 76 126.050 126.050 121.793 4.257 18437
2005 1 8 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.383 -0.211 18437
2006 1 8 . 1 1 5 5 ILE CA C 76 60.469 60.469 60.817 -0.348 18437
2007 1 8 . 1 1 5 5 ILE CB C 76 38.570 38.570 39.359 -0.789 18437
2008 1 8 . 1 1 5 5 ILE H H 76 8.349 8.349 7.708 0.641 18437
2009 1 8 . 1 1 6 6 LEU N N 77 127.505 127.505 129.020 -1.515 18437
2010 1 8 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.580 -0.206 18437
2011 1 8 . 1 1 6 6 LEU CA C 77 55.042 55.042 54.672 0.370 18437
2012 1 8 . 1 1 6 6 LEU CB C 77 42.700 42.700 42.301 0.399 18437
2013 1 8 . 1 1 6 6 LEU H H 77 8.408 8.408 8.464 -0.056 18437
2014 1 8 . 1 1 7 7 ASP N N 78 122.422 122.422 127.245 -4.823 18437
2015 1 8 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.886 -0.077 18437
2016 1 8 . 1 1 7 7 ASP CA C 78 53.746 53.746 54.152 -0.406 18437
2017 1 8 . 1 1 7 7 ASP CB C 78 41.327 41.327 41.202 0.125 18437
2018 1 8 . 1 1 7 7 ASP H H 78 8.468 8.468 8.755 -0.287 18437
2019 1 8 . 1 1 8 8 THR N N 79 115.682 115.682 112.982 2.700 18437
2020 1 8 . 1 1 8 8 THR HA H 79 4.237 4.237 4.696 -0.459 18437
2021 1 8 . 1 1 8 8 THR CA C 79 62.272 62.272 60.755 1.518 18437
2022 1 8 . 1 1 8 8 THR CB C 79 68.766 68.766 70.564 -1.798 18437
2023 1 8 . 1 1 8 8 THR H H 79 8.447 8.447 7.969 0.478 18437
2024 1 8 . 1 1 9 9 SER N N 80 118.485 118.485 116.208 2.277 18437
2025 1 8 . 1 1 9 9 SER HA H 80 4.349 4.349 4.612 -0.263 18437
2026 1 8 . 1 1 9 9 SER CA C 80 60.346 60.346 58.710 1.636 18437
2027 1 8 . 1 1 9 9 SER CB C 80 63.372 63.372 63.731 -0.359 18437
2028 1 8 . 1 1 9 9 SER H H 80 8.521 8.521 8.405 0.117 18437
2029 1 8 . 1 1 10 10 GLU N N 81 121.082 121.082 122.311 -1.229 18437
2030 1 8 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.468 -0.069 18437
2031 1 8 . 1 1 10 10 GLU CA C 81 55.946 55.946 56.449 -0.503 18437
2032 1 8 . 1 1 10 10 GLU CB C 81 30.073 30.073 30.572 -0.499 18437
2033 1 8 . 1 1 10 10 GLU H H 81 8.192 8.192 8.443 -0.251 18437
2034 1 8 . 1 1 11 11 LEU N N 82 120.855 120.855 123.242 -2.387 18437
2035 1 8 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.405 0.081 18437
2036 1 8 . 1 1 11 11 LEU CA C 82 54.319 54.319 55.567 -1.248 18437
2037 1 8 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.328 0.973 18437
2038 1 8 . 1 1 11 11 LEU H H 82 7.804 7.804 8.096 -0.292 18437
2039 1 8 . 1 1 12 12 VAL N N 83 119.700 119.700 117.562 2.138 18437
2040 1 8 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.576 -0.147 18437
2041 1 8 . 1 1 12 12 VAL CA C 83 60.069 60.069 59.765 0.304 18437
2042 1 8 . 1 1 12 12 VAL CB C 83 34.830 34.830 34.597 0.233 18437
2043 1 8 . 1 1 12 12 VAL H H 83 9.270 9.270 8.994 0.276 18437
2044 1 8 . 1 1 13 13 THR N N 84 118.866 118.866 123.854 -4.988 18437
2045 1 8 . 1 1 13 13 THR HA H 84 4.838 4.838 4.252 0.586 18437
2046 1 8 . 1 1 13 13 THR CA C 84 62.246 62.246 63.651 -1.405 18437
2047 1 8 . 1 1 13 13 THR CB C 84 68.463 68.463 68.846 -0.383 18437
2048 1 8 . 1 1 13 13 THR H H 84 8.380 8.380 8.646 -0.266 18437
2049 1 8 . 1 1 14 14 VAL N N 85 120.684 120.684 128.243 -7.559 18437
2050 1 8 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.245 0.541 18437
2051 1 8 . 1 1 14 14 VAL CA C 85 57.719 57.719 60.159 -2.440 18437
2052 1 8 . 1 1 14 14 VAL CB C 85 35.000 35.000 35.699 -0.699 18437
2053 1 8 . 1 1 14 14 VAL H H 85 8.678 8.678 8.366 0.312 18437
2054 1 8 . 1 1 15 15 VAL N N 86 116.897 116.897 128.452 -11.555 18437
2055 1 8 . 1 1 15 15 VAL HA H 86 4.583 4.583 5.077 -0.494 18437
2056 1 8 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.831 1.715 18437
2057 1 8 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.306 -0.606 18437
2058 1 8 . 1 1 15 15 VAL H H 86 8.926 8.926 8.757 0.169 18437
2059 1 8 . 1 1 16 16 ALA N N 87 127.774 127.774 130.812 -3.038 18437
2060 1 8 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.462 -0.105 18437
2061 1 8 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.414 1.113 18437
2062 1 8 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.783 -0.535 18437
2063 1 8 . 1 1 16 16 ALA H H 87 8.508 8.508 8.489 0.019 18437
2064 1 8 . 1 1 17 17 LEU N N 88 122.162 122.162 121.969 0.193 18437
2065 1 8 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.655 -0.090 18437
2066 1 8 . 1 1 17 17 LEU CA C 88 55.019 55.019 55.927 -0.908 18437
2067 1 8 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.534 0.166 18437
2068 1 8 . 1 1 17 17 LEU H H 88 9.104 9.104 8.983 0.121 18437
2069 1 8 . 1 1 18 18 VAL N N 89 112.263 112.263 113.707 -1.444 18437
2070 1 8 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.480 0.052 18437
2071 1 8 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.514 -1.068 18437
2072 1 8 . 1 1 18 18 VAL CB C 89 36.300 36.300 35.306 0.994 18437
2073 1 8 . 1 1 18 18 VAL H H 89 7.444 7.444 7.573 -0.129 18437
2074 1 8 . 1 1 19 19 LYS N N 90 118.799 118.799 122.401 -3.602 18437
2075 1 8 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.210 0.372 18437
2076 1 8 . 1 1 19 19 LYS CA C 90 56.946 56.946 57.185 -0.239 18437
2077 1 8 . 1 1 19 19 LYS CB C 90 32.573 32.573 31.081 1.492 18437
2078 1 8 . 1 1 19 19 LYS H H 90 8.198 8.198 8.361 -0.163 18437
2079 1 8 . 1 1 20 20 LEU N N 91 124.814 124.814 126.106 -1.292 18437
2080 1 8 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.785 -0.035 18437
2081 1 8 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.597 -0.465 18437
2082 1 8 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.528 -0.128 18437
2083 1 8 . 1 1 20 20 LEU H H 91 8.351 8.351 7.894 0.457 18437
2084 1 8 . 1 1 21 21 HIS N N 92 121.971 121.971 123.989 -2.018 18437
2085 1 8 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.859 0.253 18437
2086 1 8 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.261 0.292 18437
2087 1 8 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.372 -0.145 18437
2088 1 8 . 1 1 21 21 HIS H H 92 8.555 8.555 8.586 -0.031 18437
2089 1 8 . 1 1 22 22 THR N N 93 119.332 119.332 117.626 1.706 18437
2090 1 8 . 1 1 22 22 THR HA H 93 4.492 4.492 4.494 -0.002 18437
2091 1 8 . 1 1 22 22 THR CA C 93 59.546 59.546 59.758 -0.212 18437
2092 1 8 . 1 1 22 22 THR CB C 93 69.472 69.472 70.736 -1.264 18437
2093 1 8 . 1 1 22 22 THR H H 93 8.182 8.182 7.997 0.185 18437
2094 1 8 . 1 1 23 23 ASP N N 94 121.861 121.861 125.245 -3.384 18437
2095 1 8 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.172 -0.193 18437
2096 1 8 . 1 1 23 23 ASP CA C 94 53.673 53.673 52.385 1.288 18437
2097 1 8 . 1 1 23 23 ASP CB C 94 41.027 41.027 40.045 0.982 18437
2098 1 8 . 1 1 23 23 ASP H H 94 8.133 8.133 8.436 -0.303 18437
2099 1 8 . 1 1 24 24 ALA N N 95 125.785 125.785 125.146 0.639 18437
2100 1 8 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.546 0.607 18437
2101 1 8 . 1 1 24 24 ALA CA C 95 50.916 50.916 50.487 0.429 18437
2102 1 8 . 1 1 24 24 ALA CB C 95 24.090 24.090 22.819 1.271 18437
2103 1 8 . 1 1 24 24 ALA H H 95 7.992 7.992 8.707 -0.715 18437
2104 1 8 . 1 1 25 25 LEU N N 96 120.726 120.726 119.606 1.120 18437
2105 1 8 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.557 0.754 18437
2106 1 8 . 1 1 25 25 LEU CA C 96 53.416 53.416 54.634 -1.218 18437
2107 1 8 . 1 1 25 25 LEU CB C 96 46.000 46.000 45.535 0.465 18437
2108 1 8 . 1 1 25 25 LEU H H 96 8.661 8.661 8.483 0.178 18437
2109 1 8 . 1 1 26 26 HIS N N 97 121.175 121.175 124.239 -3.064 18437
2110 1 8 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.434 -0.165 18437
2111 1 8 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.534 1.782 18437
2112 1 8 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.675 0.298 18437
2113 1 8 . 1 1 26 26 HIS H H 97 8.725 8.725 8.246 0.479 18437
2114 1 8 . 1 1 27 27 ALA N N 98 126.618 126.618 130.569 -3.951 18437
2115 1 8 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.239 -0.480 18437
2116 1 8 . 1 1 27 27 ALA CA C 98 56.672 56.672 54.349 2.323 18437
2117 1 8 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.218 0.159 18437
2118 1 8 . 1 1 27 27 ALA H H 98 8.260 8.260 8.793 -0.533 18437
2119 1 8 . 1 1 28 28 THR N N 99 107.369 107.369 112.464 -5.095 18437
2120 1 8 . 1 1 28 28 THR HA H 99 4.584 4.584 4.160 0.424 18437
2121 1 8 . 1 1 28 28 THR CA C 99 61.872 61.872 64.061 -2.189 18437
2122 1 8 . 1 1 28 28 THR CB C 99 70.442 70.442 69.108 1.334 18437
2123 1 8 . 1 1 28 28 THR H H 99 10.304 10.304 8.276 2.028 18437
2124 1 8 . 1 1 29 29 ARG N N 100 124.395 124.395 120.352 4.043 18437
2125 1 8 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.486 0.081 18437
2126 1 8 . 1 1 29 29 ARG CA C 100 55.246 55.246 55.014 0.232 18437
2127 1 8 . 1 1 29 29 ARG CB C 100 32.673 32.673 31.424 1.249 18437
2128 1 8 . 1 1 29 29 ARG H H 100 9.037 9.037 7.660 1.377 18437
2129 1 8 . 1 1 30 30 ASP N N 101 124.596 124.596 120.953 3.643 18437
2130 1 8 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.868 -0.135 18437
2131 1 8 . 1 1 30 30 ASP CA C 101 52.916 52.916 54.107 -1.191 18437
2132 1 8 . 1 1 30 30 ASP CB C 101 38.097 38.097 40.755 -2.658 18437
2133 1 8 . 1 1 30 30 ASP H H 101 8.898 8.898 8.471 0.427 18437
2134 1 8 . 1 1 31 31 GLU N N 102 121.916 121.916 120.971 0.945 18437
2135 1 8 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.641 0.277 18437
2136 1 8 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.184 -1.639 18437
2137 1 8 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.418 0.644 18437
2138 1 8 . 1 1 31 31 GLU H H 102 7.876 7.876 8.241 -0.365 18437
2139 1 8 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.436 0.663 18437
2140 1 8 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.533 0.156 18437
2141 1 8 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.493 0.647 18437
2142 1 8 . 1 1 33 33 VAL N N 104 118.661 118.661 119.757 -1.096 18437
2143 1 8 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.130 0.273 18437
2144 1 8 . 1 1 33 33 VAL CA C 104 61.216 61.216 61.315 -0.099 18437
2145 1 8 . 1 1 33 33 VAL CB C 104 35.543 35.543 33.441 2.102 18437
2146 1 8 . 1 1 33 33 VAL H H 104 8.362 8.362 8.361 0.001 18437
2147 1 8 . 1 1 34 34 ALA N N 105 126.902 126.902 129.147 -2.245 18437
2148 1 8 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.589 0.581 18437
2149 1 8 . 1 1 34 34 ALA CA C 105 51.622 51.622 52.122 -0.500 18437
2150 1 8 . 1 1 34 34 ALA CB C 105 21.017 21.017 21.197 -0.180 18437
2151 1 8 . 1 1 34 34 ALA H H 105 8.726 8.726 8.440 0.286 18437
2152 1 8 . 1 1 35 35 PHE N N 106 119.156 119.156 113.446 5.710 18437
2153 1 8 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.490 0.746 18437
2154 1 8 . 1 1 35 35 PHE CA C 106 56.646 56.646 55.329 1.317 18437
2155 1 8 . 1 1 35 35 PHE CB C 106 41.300 41.300 40.176 1.124 18437
2156 1 8 . 1 1 35 35 PHE H H 106 7.597 7.597 6.891 0.706 18437
2157 1 8 . 1 1 36 36 VAL N N 107 120.344 120.344 118.226 2.118 18437
2158 1 8 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.323 -0.104 18437
2159 1 8 . 1 1 36 36 VAL CA C 107 59.546 59.546 59.707 -0.161 18437
2160 1 8 . 1 1 36 36 VAL CB C 107 35.200 35.200 34.165 1.035 18437
2161 1 8 . 1 1 36 36 VAL H H 107 8.267 8.267 8.436 -0.169 18437
2162 1 8 . 1 1 37 37 LEU N N 108 121.820 121.820 120.705 1.115 18437
2163 1 8 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.890 -0.461 18437
2164 1 8 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.921 -0.055 18437
2165 1 8 . 1 1 37 37 LEU CB C 108 41.100 41.100 43.392 -2.292 18437
2166 1 8 . 1 1 37 37 LEU H H 108 7.737 7.737 8.411 -0.674 18437
2167 1 8 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.533 -0.822 18437
2168 1 8 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.532 0.140 18437
2169 1 8 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.341 0.732 18437
2170 1 8 . 1 1 39 39 GLY N N 110 112.032 112.032 112.101 -0.069 18437
2171 1 8 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.254 -0.411 18437
2172 1 8 . 1 1 39 39 GLY H H 110 9.026 9.026 8.390 0.636 18437
2173 1 8 . 1 1 40 40 THR N N 111 119.141 119.141 119.600 -0.459 18437
2174 1 8 . 1 1 40 40 THR HA H 111 4.330 4.330 4.477 -0.147 18437
2175 1 8 . 1 1 40 40 THR CA C 111 63.346 63.346 62.024 1.322 18437
2176 1 8 . 1 1 40 40 THR CB C 111 69.512 69.512 70.164 -0.652 18437
2177 1 8 . 1 1 40 40 THR H H 111 8.039 8.039 7.869 0.170 18437
2178 1 8 . 1 1 41 41 ALA N N 112 131.125 131.125 129.319 1.806 18437
2179 1 8 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.611 1.096 18437
2180 1 8 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.271 -0.959 18437
2181 1 8 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.644 0.278 18437
2182 1 8 . 1 1 41 41 ALA H H 112 8.900 8.900 8.569 0.331 18437
2183 1 8 . 1 1 42 42 PHE N N 113 116.476 116.476 121.587 -5.111 18437
2184 1 8 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.853 -0.195 18437
2185 1 8 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.410 1.262 18437
2186 1 8 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.660 -3.268 18437
2187 1 8 . 1 1 42 42 PHE H H 113 9.220 9.220 8.716 0.504 18437
2188 1 8 . 1 1 43 43 ARG N N 114 117.116 117.116 124.296 -7.180 18437
2189 1 8 . 1 1 43 43 ARG HA H 114 5.640 5.640 5.084 0.556 18437
2190 1 8 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.652 -0.582 18437
2191 1 8 . 1 1 43 43 ARG CB C 114 34.900 34.900 30.697 4.203 18437
2192 1 8 . 1 1 43 43 ARG H H 114 9.145 9.145 8.563 0.582 18437
2193 1 8 . 1 1 44 44 VAL N N 115 113.755 113.755 117.385 -3.630 18437
2194 1 8 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.743 0.110 18437
2195 1 8 . 1 1 44 44 VAL CA C 115 58.772 58.772 59.295 -0.523 18437
2196 1 8 . 1 1 44 44 VAL CB C 115 37.500 37.500 35.720 1.780 18437
2197 1 8 . 1 1 44 44 VAL H H 115 8.441 8.441 8.811 -0.370 18437
2198 1 8 . 1 1 45 45 SER N N 116 115.947 115.947 115.471 0.476 18437
2199 1 8 . 1 1 45 45 SER HA H 116 4.530 4.530 4.457 0.073 18437
2200 1 8 . 1 1 45 45 SER CA C 116 58.168 58.168 58.297 -0.129 18437
2201 1 8 . 1 1 45 45 SER CB C 116 64.399 64.399 63.226 1.173 18437
2202 1 8 . 1 1 45 45 SER H H 116 8.723 8.723 8.557 0.166 18437
2203 1 8 . 1 1 46 46 ALA N N 117 123.625 123.625 127.456 -3.831 18437
2204 1 8 . 1 1 46 46 ALA HA H 117 3.980 3.980 3.969 0.011 18437
2205 1 8 . 1 1 46 46 ALA CA C 117 55.772 55.772 55.129 0.643 18437
2206 1 8 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.709 -0.598 18437
2207 1 8 . 1 1 46 46 ALA H H 117 9.143 9.143 8.825 0.318 18437
2208 1 8 . 1 1 47 47 GLY N N 118 106.332 106.332 104.773 1.559 18437
2209 1 8 . 1 1 47 47 GLY CA C 118 46.900 46.900 46.245 0.655 18437
2210 1 8 . 1 1 47 47 GLY H H 118 8.937 8.937 8.516 0.421 18437
2211 1 8 . 1 1 48 48 VAL N N 119 124.965 124.965 123.246 1.719 18437
2212 1 8 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.814 0.029 18437
2213 1 8 . 1 1 48 48 VAL CA C 119 65.816 65.816 63.985 1.831 18437
2214 1 8 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.288 0.679 18437
2215 1 8 . 1 1 48 48 VAL H H 119 7.376 7.376 7.573 -0.197 18437
2216 1 8 . 1 1 49 49 ALA N N 120 122.605 122.605 121.797 0.808 18437
2217 1 8 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.908 -0.236 18437
2218 1 8 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.334 0.139 18437
2219 1 8 . 1 1 49 49 ALA CB C 120 18.454 18.454 17.851 0.603 18437
2220 1 8 . 1 1 49 49 ALA H H 120 8.805 8.805 8.268 0.537 18437
2221 1 8 . 1 1 50 50 ALA N N 121 119.852 119.852 120.268 -0.416 18437
2222 1 8 . 1 1 50 50 ALA HA H 121 4.088 4.088 4.003 0.085 18437
2223 1 8 . 1 1 50 50 ALA CA C 121 54.946 54.946 54.960 -0.014 18437
2224 1 8 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.238 -0.560 18437
2225 1 8 . 1 1 50 50 ALA H H 121 7.976 7.976 7.833 0.143 18437
2226 1 8 . 1 1 51 51 GLU N N 122 118.977 118.977 117.862 1.115 18437
2227 1 8 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.106 0.040 18437
2228 1 8 . 1 1 51 51 GLU CA C 122 59.272 59.272 59.023 0.249 18437
2229 1 8 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.780 -0.080 18437
2230 1 8 . 1 1 51 51 GLU H H 122 7.369 7.369 7.710 -0.341 18437
2231 1 8 . 1 1 52 52 MET N N 123 116.735 116.735 118.220 -1.485 18437
2232 1 8 . 1 1 52 52 MET HA H 123 3.941 3.941 4.211 -0.270 18437
2233 1 8 . 1 1 52 52 MET CA C 123 60.416 60.416 58.152 2.264 18437
2234 1 8 . 1 1 52 52 MET CB C 123 33.973 33.973 31.816 2.158 18437
2235 1 8 . 1 1 52 52 MET H H 123 8.794 8.794 8.002 0.792 18437
2236 1 8 . 1 1 53 53 THR N N 124 112.866 112.866 109.427 3.439 18437
2237 1 8 . 1 1 53 53 THR HA H 124 4.605 4.605 4.342 0.263 18437
2238 1 8 . 1 1 53 53 THR CA C 124 64.742 64.742 64.485 0.257 18437
2239 1 8 . 1 1 53 53 THR CB C 124 68.392 68.392 68.861 -0.469 18437
2240 1 8 . 1 1 53 53 THR H H 124 8.622 8.622 8.236 0.386 18437
2241 1 8 . 1 1 54 54 GLU N N 125 125.722 125.722 120.693 5.029 18437
2242 1 8 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.158 -0.015 18437
2243 1 8 . 1 1 54 54 GLU CA C 125 59.639 59.639 58.203 1.436 18437
2244 1 8 . 1 1 54 54 GLU H H 125 8.054 8.054 7.514 0.540 18437
2245 1 8 . 1 1 55 55 ARG N N 126 114.393 114.393 117.317 -2.924 18437
2246 1 8 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.298 0.075 18437
2247 1 8 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.411 0.061 18437
2248 1 8 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.705 1.095 18437
2249 1 8 . 1 1 55 55 ARG H H 126 7.703 7.703 7.915 -0.212 18437
2250 1 8 . 1 1 56 56 GLY N N 127 107.070 107.070 106.451 0.619 18437
2251 1 8 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.840 0.360 18437
2252 1 8 . 1 1 56 56 GLY H H 127 7.759 7.759 7.795 -0.036 18437
2253 1 8 . 1 1 57 57 LEU N N 128 116.338 116.338 117.327 -0.989 18437
2254 1 8 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.657 -0.286 18437
2255 1 8 . 1 1 57 57 LEU CA C 128 55.572 55.572 54.768 0.804 18437
2256 1 8 . 1 1 57 57 LEU CB C 128 42.427 42.427 43.261 -0.834 18437
2257 1 8 . 1 1 57 57 LEU H H 128 8.293 8.293 7.576 0.717 18437
2258 1 8 . 1 1 58 58 ALA N N 129 116.379 116.379 119.083 -2.704 18437
2259 1 8 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.896 0.234 18437
2260 1 8 . 1 1 58 58 ALA CA C 129 50.142 50.142 50.928 -0.786 18437
2261 1 8 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.477 0.832 18437
2262 1 8 . 1 1 58 58 ALA H H 129 7.351 7.351 7.411 -0.060 18437
2263 1 8 . 1 1 59 59 ARG N N 130 115.969 115.969 121.128 -5.159 18437
2264 1 8 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.868 0.054 18437
2265 1 8 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.330 -1.141 18437
2266 1 8 . 1 1 59 59 ARG CB C 130 33.453 33.453 34.596 -1.143 18437
2267 1 8 . 1 1 59 59 ARG H H 130 8.771 8.771 8.681 0.090 18437
2268 1 8 . 1 1 60 60 MET N N 131 120.973 120.973 123.432 -2.459 18437
2269 1 8 . 1 1 60 60 MET HA H 131 4.415 4.415 4.344 0.071 18437
2270 1 8 . 1 1 60 60 MET CA C 131 55.677 55.677 57.045 -1.368 18437
2271 1 8 . 1 1 60 60 MET CB C 131 31.527 31.527 32.308 -0.781 18437
2272 1 8 . 1 1 60 60 MET H H 131 8.910 8.910 8.716 0.194 18437
2273 1 9 . 1 1 2 2 ASP N N 73 119.729 119.729 118.363 1.366 18437
2274 1 9 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.732 -0.112 18437
2275 1 9 . 1 1 2 2 ASP CA C 73 54.246 54.246 54.051 0.195 18437
2276 1 9 . 1 1 2 2 ASP CB C 73 41.077 41.077 41.771 -0.694 18437
2277 1 9 . 1 1 2 2 ASP H H 73 8.508 8.508 8.474 0.034 18437
2278 1 9 . 1 1 3 3 THR N N 74 114.613 114.613 114.277 0.336 18437
2279 1 9 . 1 1 3 3 THR HA H 74 4.328 4.328 4.375 -0.047 18437
2280 1 9 . 1 1 3 3 THR CA C 74 62.046 62.046 62.391 -0.345 18437
2281 1 9 . 1 1 3 3 THR CB C 74 69.779 69.779 71.023 -1.244 18437
2282 1 9 . 1 1 3 3 THR H H 74 8.047 8.047 7.953 0.094 18437
2283 1 9 . 1 1 4 4 VAL N N 75 123.803 123.803 121.285 2.518 18437
2284 1 9 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.754 0.369 18437
2285 1 9 . 1 1 4 4 VAL CA C 75 62.272 62.272 63.366 -1.094 18437
2286 1 9 . 1 1 4 4 VAL CB C 75 32.873 32.873 30.167 2.706 18437
2287 1 9 . 1 1 4 4 VAL H H 75 8.225 8.225 8.117 0.108 18437
2288 1 9 . 1 1 5 5 ILE N N 76 126.050 126.050 121.086 4.964 18437
2289 1 9 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.292 -0.120 18437
2290 1 9 . 1 1 5 5 ILE CA C 76 60.469 60.469 60.267 0.202 18437
2291 1 9 . 1 1 5 5 ILE CB C 76 38.570 38.570 40.329 -1.759 18437
2292 1 9 . 1 1 5 5 ILE H H 76 8.349 8.349 7.674 0.675 18437
2293 1 9 . 1 1 6 6 LEU N N 77 127.505 127.505 128.592 -1.087 18437
2294 1 9 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.344 0.030 18437
2295 1 9 . 1 1 6 6 LEU CA C 77 55.042 55.042 55.167 -0.125 18437
2296 1 9 . 1 1 6 6 LEU CB C 77 42.700 42.700 41.840 0.860 18437
2297 1 9 . 1 1 6 6 LEU H H 77 8.408 8.408 8.455 -0.047 18437
2298 1 9 . 1 1 7 7 ASP N N 78 122.422 122.422 126.609 -4.187 18437
2299 1 9 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.962 -0.153 18437
2300 1 9 . 1 1 7 7 ASP CA C 78 53.746 53.746 53.904 -0.158 18437
2301 1 9 . 1 1 7 7 ASP CB C 78 41.327 41.327 42.617 -1.290 18437
2302 1 9 . 1 1 7 7 ASP H H 78 8.468 8.468 8.563 -0.095 18437
2303 1 9 . 1 1 8 8 THR N N 79 115.682 115.682 112.436 3.246 18437
2304 1 9 . 1 1 8 8 THR HA H 79 4.237 4.237 4.506 -0.269 18437
2305 1 9 . 1 1 8 8 THR CA C 79 62.272 62.272 61.663 0.610 18437
2306 1 9 . 1 1 8 8 THR CB C 79 68.766 68.766 69.205 -0.439 18437
2307 1 9 . 1 1 8 8 THR H H 79 8.447 8.447 8.221 0.226 18437
2308 1 9 . 1 1 9 9 SER N N 80 118.485 118.485 115.867 2.618 18437
2309 1 9 . 1 1 9 9 SER HA H 80 4.349 4.349 4.658 -0.309 18437
2310 1 9 . 1 1 9 9 SER CA C 80 60.346 60.346 57.996 2.350 18437
2311 1 9 . 1 1 9 9 SER CB C 80 63.372 63.372 63.437 -0.065 18437
2312 1 9 . 1 1 9 9 SER H H 80 8.521 8.521 7.800 0.721 18437
2313 1 9 . 1 1 10 10 GLU N N 81 121.082 121.082 120.743 0.339 18437
2314 1 9 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.515 -0.116 18437
2315 1 9 . 1 1 10 10 GLU CA C 81 55.946 55.946 55.866 0.080 18437
2316 1 9 . 1 1 10 10 GLU CB C 81 30.073 30.073 30.295 -0.222 18437
2317 1 9 . 1 1 10 10 GLU H H 81 8.192 8.192 8.279 -0.087 18437
2318 1 9 . 1 1 11 11 LEU N N 82 120.855 120.855 121.537 -0.682 18437
2319 1 9 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.387 0.099 18437
2320 1 9 . 1 1 11 11 LEU CA C 82 54.319 54.319 55.313 -0.994 18437
2321 1 9 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.346 0.956 18437
2322 1 9 . 1 1 11 11 LEU H H 82 7.804 7.804 8.237 -0.433 18437
2323 1 9 . 1 1 12 12 VAL N N 83 119.700 119.700 119.495 0.205 18437
2324 1 9 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.570 -0.141 18437
2325 1 9 . 1 1 12 12 VAL CA C 83 60.069 60.069 60.043 0.026 18437
2326 1 9 . 1 1 12 12 VAL CB C 83 34.830 34.830 34.033 0.797 18437
2327 1 9 . 1 1 12 12 VAL H H 83 9.270 9.270 9.031 0.239 18437
2328 1 9 . 1 1 13 13 THR N N 84 118.866 118.866 123.825 -4.959 18437
2329 1 9 . 1 1 13 13 THR HA H 84 4.838 4.838 4.247 0.591 18437
2330 1 9 . 1 1 13 13 THR CA C 84 62.246 62.246 63.477 -1.231 18437
2331 1 9 . 1 1 13 13 THR CB C 84 68.463 68.463 68.944 -0.481 18437
2332 1 9 . 1 1 13 13 THR H H 84 8.380 8.380 8.680 -0.300 18437
2333 1 9 . 1 1 14 14 VAL N N 85 120.684 120.684 128.272 -7.588 18437
2334 1 9 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.161 0.625 18437
2335 1 9 . 1 1 14 14 VAL CA C 85 57.719 57.719 61.431 -3.712 18437
2336 1 9 . 1 1 14 14 VAL CB C 85 35.000 35.000 35.903 -0.903 18437
2337 1 9 . 1 1 14 14 VAL H H 85 8.678 8.678 8.412 0.266 18437
2338 1 9 . 1 1 15 15 VAL N N 86 116.897 116.897 127.151 -10.254 18437
2339 1 9 . 1 1 15 15 VAL HA H 86 4.583 4.583 5.018 -0.435 18437
2340 1 9 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.743 1.803 18437
2341 1 9 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.744 -1.044 18437
2342 1 9 . 1 1 15 15 VAL H H 86 8.926 8.926 8.697 0.229 18437
2343 1 9 . 1 1 16 16 ALA N N 87 127.774 127.774 130.845 -3.071 18437
2344 1 9 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.796 -0.439 18437
2345 1 9 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.540 0.987 18437
2346 1 9 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.710 -0.463 18437
2347 1 9 . 1 1 16 16 ALA H H 87 8.508 8.508 8.546 -0.038 18437
2348 1 9 . 1 1 17 17 LEU N N 88 122.162 122.162 121.648 0.514 18437
2349 1 9 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.665 -0.100 18437
2350 1 9 . 1 1 17 17 LEU CA C 88 55.019 55.019 55.854 -0.835 18437
2351 1 9 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.534 0.166 18437
2352 1 9 . 1 1 17 17 LEU H H 88 9.104 9.104 8.880 0.224 18437
2353 1 9 . 1 1 18 18 VAL N N 89 112.263 112.263 113.573 -1.310 18437
2354 1 9 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.475 0.057 18437
2355 1 9 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.486 -1.040 18437
2356 1 9 . 1 1 18 18 VAL CB C 89 36.300 36.300 35.263 1.037 18437
2357 1 9 . 1 1 18 18 VAL H H 89 7.444 7.444 7.557 -0.113 18437
2358 1 9 . 1 1 19 19 LYS N N 90 118.799 118.799 122.392 -3.593 18437
2359 1 9 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.207 0.375 18437
2360 1 9 . 1 1 19 19 LYS CA C 90 56.946 56.946 57.119 -0.173 18437
2361 1 9 . 1 1 19 19 LYS CB C 90 32.573 32.573 30.960 1.613 18437
2362 1 9 . 1 1 19 19 LYS H H 90 8.198 8.198 8.369 -0.171 18437
2363 1 9 . 1 1 20 20 LEU N N 91 124.814 124.814 125.951 -1.137 18437
2364 1 9 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.776 -0.026 18437
2365 1 9 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.508 -0.376 18437
2366 1 9 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.517 -0.117 18437
2367 1 9 . 1 1 20 20 LEU H H 91 8.351 8.351 7.859 0.492 18437
2368 1 9 . 1 1 21 21 HIS N N 92 121.971 121.971 123.280 -1.309 18437
2369 1 9 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.811 0.301 18437
2370 1 9 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.496 0.057 18437
2371 1 9 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.481 -0.254 18437
2372 1 9 . 1 1 21 21 HIS H H 92 8.555 8.555 8.639 -0.084 18437
2373 1 9 . 1 1 22 22 THR N N 93 119.332 119.332 117.451 1.881 18437
2374 1 9 . 1 1 22 22 THR HA H 93 4.492 4.492 4.449 0.043 18437
2375 1 9 . 1 1 22 22 THR CA C 93 59.546 59.546 60.772 -1.226 18437
2376 1 9 . 1 1 22 22 THR CB C 93 69.472 69.472 70.709 -1.237 18437
2377 1 9 . 1 1 22 22 THR H H 93 8.182 8.182 7.896 0.286 18437
2378 1 9 . 1 1 23 23 ASP N N 94 121.861 121.861 127.456 -5.595 18437
2379 1 9 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.201 -0.222 18437
2380 1 9 . 1 1 23 23 ASP CA C 94 53.673 53.673 52.730 0.943 18437
2381 1 9 . 1 1 23 23 ASP CB C 94 41.027 41.027 40.952 0.075 18437
2382 1 9 . 1 1 23 23 ASP H H 94 8.133 8.133 8.499 -0.366 18437
2383 1 9 . 1 1 24 24 ALA N N 95 125.785 125.785 127.492 -1.707 18437
2384 1 9 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.707 0.446 18437
2385 1 9 . 1 1 24 24 ALA CA C 95 50.916 50.916 50.949 -0.033 18437
2386 1 9 . 1 1 24 24 ALA CB C 95 24.090 24.090 21.811 2.279 18437
2387 1 9 . 1 1 24 24 ALA H H 95 7.992 7.992 8.484 -0.492 18437
2388 1 9 . 1 1 25 25 LEU N N 96 120.726 120.726 125.355 -4.629 18437
2389 1 9 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.482 0.829 18437
2390 1 9 . 1 1 25 25 LEU CA C 96 53.416 53.416 53.772 -0.356 18437
2391 1 9 . 1 1 25 25 LEU CB C 96 46.000 46.000 42.534 3.466 18437
2392 1 9 . 1 1 25 25 LEU H H 96 8.661 8.661 8.599 0.062 18437
2393 1 9 . 1 1 26 26 HIS N N 97 121.175 121.175 125.520 -4.345 18437
2394 1 9 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.371 -0.102 18437
2395 1 9 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.782 1.534 18437
2396 1 9 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.854 0.119 18437
2397 1 9 . 1 1 26 26 HIS H H 97 8.725 8.725 8.096 0.629 18437
2398 1 9 . 1 1 27 27 ALA N N 98 126.618 126.618 129.783 -3.165 18437
2399 1 9 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.306 -0.547 18437
2400 1 9 . 1 1 27 27 ALA CA C 98 56.672 56.672 54.090 2.582 18437
2401 1 9 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.319 0.058 18437
2402 1 9 . 1 1 27 27 ALA H H 98 8.260 8.260 8.604 -0.344 18437
2403 1 9 . 1 1 28 28 THR N N 99 107.369 107.369 112.253 -4.884 18437
2404 1 9 . 1 1 28 28 THR HA H 99 4.584 4.584 4.168 0.416 18437
2405 1 9 . 1 1 28 28 THR CA C 99 61.872 61.872 63.943 -2.071 18437
2406 1 9 . 1 1 28 28 THR CB C 99 70.442 70.442 69.037 1.405 18437
2407 1 9 . 1 1 28 28 THR H H 99 10.304 10.304 8.289 2.015 18437
2408 1 9 . 1 1 29 29 ARG N N 100 124.395 124.395 120.182 4.213 18437
2409 1 9 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.510 0.057 18437
2410 1 9 . 1 1 29 29 ARG CA C 100 55.246 55.246 54.788 0.457 18437
2411 1 9 . 1 1 29 29 ARG CB C 100 32.673 32.673 31.579 1.094 18437
2412 1 9 . 1 1 29 29 ARG H H 100 9.037 9.037 7.737 1.300 18437
2413 1 9 . 1 1 30 30 ASP N N 101 124.596 124.596 121.419 3.177 18437
2414 1 9 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.855 -0.122 18437
2415 1 9 . 1 1 30 30 ASP CA C 101 52.916 52.916 54.068 -1.152 18437
2416 1 9 . 1 1 30 30 ASP CB C 101 38.097 38.097 40.398 -2.301 18437
2417 1 9 . 1 1 30 30 ASP H H 101 8.898 8.898 8.448 0.450 18437
2418 1 9 . 1 1 31 31 GLU N N 102 121.916 121.916 121.067 0.849 18437
2419 1 9 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.668 0.250 18437
2420 1 9 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.379 -1.833 18437
2421 1 9 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.754 0.308 18437
2422 1 9 . 1 1 31 31 GLU H H 102 7.876 7.876 8.300 -0.424 18437
2423 1 9 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.433 0.666 18437
2424 1 9 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.451 0.238 18437
2425 1 9 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.532 0.608 18437
2426 1 9 . 1 1 33 33 VAL N N 104 118.661 118.661 120.260 -1.599 18437
2427 1 9 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.171 0.232 18437
2428 1 9 . 1 1 33 33 VAL CA C 104 61.216 61.216 60.521 0.695 18437
2429 1 9 . 1 1 33 33 VAL CB C 104 35.543 35.543 32.599 2.945 18437
2430 1 9 . 1 1 33 33 VAL H H 104 8.362 8.362 8.170 0.192 18437
2431 1 9 . 1 1 34 34 ALA N N 105 126.902 126.902 129.095 -2.193 18437
2432 1 9 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.585 0.586 18437
2433 1 9 . 1 1 34 34 ALA CA C 105 51.622 51.622 52.204 -0.582 18437
2434 1 9 . 1 1 34 34 ALA CB C 105 21.017 21.017 21.168 -0.151 18437
2435 1 9 . 1 1 34 34 ALA H H 105 8.726 8.726 8.375 0.351 18437
2436 1 9 . 1 1 35 35 PHE N N 106 119.156 119.156 113.468 5.688 18437
2437 1 9 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.403 0.833 18437
2438 1 9 . 1 1 35 35 PHE CA C 106 56.646 56.646 55.148 1.498 18437
2439 1 9 . 1 1 35 35 PHE CB C 106 41.300 41.300 40.656 0.644 18437
2440 1 9 . 1 1 35 35 PHE H H 106 7.597 7.597 6.918 0.679 18437
2441 1 9 . 1 1 36 36 VAL N N 107 120.344 120.344 118.759 1.585 18437
2442 1 9 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.310 -0.091 18437
2443 1 9 . 1 1 36 36 VAL CA C 107 59.546 59.546 59.017 0.529 18437
2444 1 9 . 1 1 36 36 VAL CB C 107 35.200 35.200 33.966 1.234 18437
2445 1 9 . 1 1 36 36 VAL H H 107 8.267 8.267 8.394 -0.127 18437
2446 1 9 . 1 1 37 37 LEU N N 108 121.820 121.820 121.066 0.754 18437
2447 1 9 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.873 -0.444 18437
2448 1 9 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.417 0.449 18437
2449 1 9 . 1 1 37 37 LEU CB C 108 41.100 41.100 42.927 -1.827 18437
2450 1 9 . 1 1 37 37 LEU H H 108 7.737 7.737 8.363 -0.626 18437
2451 1 9 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.522 -0.811 18437
2452 1 9 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.536 0.136 18437
2453 1 9 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.352 0.722 18437
2454 1 9 . 1 1 39 39 GLY N N 110 112.032 112.032 112.010 0.022 18437
2455 1 9 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.267 -0.424 18437
2456 1 9 . 1 1 39 39 GLY H H 110 9.026 9.026 8.369 0.657 18437
2457 1 9 . 1 1 40 40 THR N N 111 119.141 119.141 120.113 -0.972 18437
2458 1 9 . 1 1 40 40 THR HA H 111 4.330 4.330 4.573 -0.243 18437
2459 1 9 . 1 1 40 40 THR CA C 111 63.346 63.346 61.893 1.453 18437
2460 1 9 . 1 1 40 40 THR CB C 111 69.512 69.512 69.935 -0.423 18437
2461 1 9 . 1 1 40 40 THR H H 111 8.039 8.039 7.897 0.142 18437
2462 1 9 . 1 1 41 41 ALA N N 112 131.125 131.125 129.068 2.057 18437
2463 1 9 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.546 1.161 18437
2464 1 9 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.236 -0.924 18437
2465 1 9 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.502 0.420 18437
2466 1 9 . 1 1 41 41 ALA H H 112 8.900 8.900 8.533 0.367 18437
2467 1 9 . 1 1 42 42 PHE N N 113 116.476 116.476 121.656 -5.180 18437
2468 1 9 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.880 -0.222 18437
2469 1 9 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.438 1.234 18437
2470 1 9 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.599 -3.207 18437
2471 1 9 . 1 1 42 42 PHE H H 113 9.220 9.220 8.644 0.576 18437
2472 1 9 . 1 1 43 43 ARG N N 114 117.116 117.116 123.908 -6.792 18437
2473 1 9 . 1 1 43 43 ARG HA H 114 5.640 5.640 5.120 0.520 18437
2474 1 9 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.735 -0.665 18437
2475 1 9 . 1 1 43 43 ARG CB C 114 34.900 34.900 31.112 3.788 18437
2476 1 9 . 1 1 43 43 ARG H H 114 9.145 9.145 8.554 0.591 18437
2477 1 9 . 1 1 44 44 VAL N N 115 113.755 113.755 118.104 -4.349 18437
2478 1 9 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.638 0.215 18437
2479 1 9 . 1 1 44 44 VAL CA C 115 58.772 58.772 58.619 0.153 18437
2480 1 9 . 1 1 44 44 VAL CB C 115 37.500 37.500 34.911 2.589 18437
2481 1 9 . 1 1 44 44 VAL H H 115 8.441 8.441 8.625 -0.184 18437
2482 1 9 . 1 1 45 45 SER N N 116 115.947 115.947 114.143 1.804 18437
2483 1 9 . 1 1 45 45 SER HA H 116 4.530 4.530 4.469 0.061 18437
2484 1 9 . 1 1 45 45 SER CA C 116 58.168 58.168 57.551 0.617 18437
2485 1 9 . 1 1 45 45 SER CB C 116 64.399 64.399 64.166 0.233 18437
2486 1 9 . 1 1 45 45 SER H H 116 8.723 8.723 8.493 0.230 18437
2487 1 9 . 1 1 46 46 ALA N N 117 123.625 123.625 127.522 -3.897 18437
2488 1 9 . 1 1 46 46 ALA HA H 117 3.980 3.980 4.082 -0.102 18437
2489 1 9 . 1 1 46 46 ALA CA C 117 55.772 55.772 54.833 0.939 18437
2490 1 9 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.857 -0.747 18437
2491 1 9 . 1 1 46 46 ALA H H 117 9.143 9.143 9.124 0.019 18437
2492 1 9 . 1 1 47 47 GLY N N 118 106.332 106.332 106.691 -0.359 18437
2493 1 9 . 1 1 47 47 GLY CA C 118 46.900 46.900 46.146 0.754 18437
2494 1 9 . 1 1 47 47 GLY H H 118 8.937 8.937 7.672 1.265 18437
2495 1 9 . 1 1 48 48 VAL N N 119 124.965 124.965 123.361 1.604 18437
2496 1 9 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.681 0.162 18437
2497 1 9 . 1 1 48 48 VAL CA C 119 65.816 65.816 65.376 0.440 18437
2498 1 9 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.690 0.277 18437
2499 1 9 . 1 1 48 48 VAL H H 119 7.376 7.376 7.689 -0.313 18437
2500 1 9 . 1 1 49 49 ALA N N 120 122.605 122.605 121.272 1.333 18437
2501 1 9 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.889 -0.217 18437
2502 1 9 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.374 0.098 18437
2503 1 9 . 1 1 49 49 ALA CB C 120 18.454 18.454 17.857 0.597 18437
2504 1 9 . 1 1 49 49 ALA H H 120 8.805 8.805 8.109 0.696 18437
2505 1 9 . 1 1 50 50 ALA N N 121 119.852 119.852 119.988 -0.136 18437
2506 1 9 . 1 1 50 50 ALA HA H 121 4.088 4.088 4.003 0.085 18437
2507 1 9 . 1 1 50 50 ALA CA C 121 54.946 54.946 55.002 -0.056 18437
2508 1 9 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.201 -0.523 18437
2509 1 9 . 1 1 50 50 ALA H H 121 7.976 7.976 7.802 0.174 18437
2510 1 9 . 1 1 51 51 GLU N N 122 118.977 118.977 118.308 0.669 18437
2511 1 9 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.139 0.007 18437
2512 1 9 . 1 1 51 51 GLU CA C 122 59.272 59.272 58.824 0.448 18437
2513 1 9 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.530 0.170 18437
2514 1 9 . 1 1 51 51 GLU H H 122 7.369 7.369 7.646 -0.277 18437
2515 1 9 . 1 1 52 52 MET N N 123 116.735 116.735 118.182 -1.447 18437
2516 1 9 . 1 1 52 52 MET HA H 123 3.941 3.941 4.195 -0.254 18437
2517 1 9 . 1 1 52 52 MET CA C 123 60.416 60.416 58.543 1.873 18437
2518 1 9 . 1 1 52 52 MET CB C 123 33.973 33.973 32.060 1.913 18437
2519 1 9 . 1 1 52 52 MET H H 123 8.794 8.794 8.567 0.227 18437
2520 1 9 . 1 1 53 53 THR N N 124 112.866 112.866 110.055 2.811 18437
2521 1 9 . 1 1 53 53 THR HA H 124 4.605 4.605 4.305 0.300 18437
2522 1 9 . 1 1 53 53 THR CA C 124 64.742 64.742 64.869 -0.127 18437
2523 1 9 . 1 1 53 53 THR CB C 124 68.392 68.392 68.851 -0.459 18437
2524 1 9 . 1 1 53 53 THR H H 124 8.622 8.622 8.249 0.373 18437
2525 1 9 . 1 1 54 54 GLU N N 125 125.722 125.722 120.338 5.384 18437
2526 1 9 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.120 0.023 18437
2527 1 9 . 1 1 54 54 GLU CA C 125 59.639 59.639 58.264 1.375 18437
2528 1 9 . 1 1 54 54 GLU H H 125 8.054 8.054 7.549 0.505 18437
2529 1 9 . 1 1 55 55 ARG N N 126 114.393 114.393 117.203 -2.810 18437
2530 1 9 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.304 0.069 18437
2531 1 9 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.849 -0.377 18437
2532 1 9 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.567 1.232 18437
2533 1 9 . 1 1 55 55 ARG H H 126 7.703 7.703 7.862 -0.159 18437
2534 1 9 . 1 1 56 56 GLY N N 127 107.070 107.070 106.359 0.711 18437
2535 1 9 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.667 0.533 18437
2536 1 9 . 1 1 56 56 GLY H H 127 7.759 7.759 7.705 0.054 18437
2537 1 9 . 1 1 57 57 LEU N N 128 116.338 116.338 118.010 -1.672 18437
2538 1 9 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.616 -0.245 18437
2539 1 9 . 1 1 57 57 LEU CA C 128 55.572 55.572 55.064 0.508 18437
2540 1 9 . 1 1 57 57 LEU CB C 128 42.427 42.427 43.137 -0.710 18437
2541 1 9 . 1 1 57 57 LEU H H 128 8.293 8.293 7.649 0.644 18437
2542 1 9 . 1 1 58 58 ALA N N 129 116.379 116.379 119.500 -3.121 18437
2543 1 9 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.848 0.282 18437
2544 1 9 . 1 1 58 58 ALA CA C 129 50.142 50.142 50.756 -0.614 18437
2545 1 9 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.123 1.185 18437
2546 1 9 . 1 1 58 58 ALA H H 129 7.351 7.351 7.435 -0.084 18437
2547 1 9 . 1 1 59 59 ARG N N 130 115.969 115.969 121.027 -5.058 18437
2548 1 9 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.825 0.097 18437
2549 1 9 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.248 -1.059 18437
2550 1 9 . 1 1 59 59 ARG CB C 130 33.453 33.453 33.496 -0.043 18437
2551 1 9 . 1 1 59 59 ARG H H 130 8.771 8.771 9.040 -0.269 18437
2552 1 9 . 1 1 60 60 MET N N 131 120.973 120.973 125.278 -4.305 18437
2553 1 9 . 1 1 60 60 MET HA H 131 4.415 4.415 4.211 0.204 18437
2554 1 9 . 1 1 60 60 MET CA C 131 55.677 55.677 57.578 -1.901 18437
2555 1 9 . 1 1 60 60 MET CB C 131 31.527 31.527 32.151 -0.624 18437
2556 1 9 . 1 1 60 60 MET H H 131 8.910 8.910 8.786 0.124 18437
2557 1 10 . 1 1 2 2 ASP N N 73 119.729 119.729 117.446 2.283 18437
2558 1 10 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.646 -0.026 18437
2559 1 10 . 1 1 2 2 ASP CA C 73 54.246 54.246 54.607 -0.361 18437
2560 1 10 . 1 1 2 2 ASP CB C 73 41.077 41.077 41.846 -0.769 18437
2561 1 10 . 1 1 2 2 ASP H H 73 8.508 8.508 8.611 -0.103 18437
2562 1 10 . 1 1 3 3 THR N N 74 114.613 114.613 115.341 -0.728 18437
2563 1 10 . 1 1 3 3 THR HA H 74 4.328 4.328 4.454 -0.126 18437
2564 1 10 . 1 1 3 3 THR CA C 74 62.046 62.046 62.456 -0.410 18437
2565 1 10 . 1 1 3 3 THR CB C 74 69.779 69.779 71.023 -1.244 18437
2566 1 10 . 1 1 3 3 THR H H 74 8.047 8.047 7.931 0.116 18437
2567 1 10 . 1 1 4 4 VAL N N 75 123.803 123.803 121.161 2.642 18437
2568 1 10 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.830 0.293 18437
2569 1 10 . 1 1 4 4 VAL CA C 75 62.272 62.272 62.853 -0.581 18437
2570 1 10 . 1 1 4 4 VAL CB C 75 32.873 32.873 31.234 1.639 18437
2571 1 10 . 1 1 4 4 VAL H H 75 8.225 8.225 8.005 0.220 18437
2572 1 10 . 1 1 5 5 ILE N N 76 126.050 126.050 121.767 4.283 18437
2573 1 10 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.406 -0.234 18437
2574 1 10 . 1 1 5 5 ILE CA C 76 60.469 60.469 59.730 0.739 18437
2575 1 10 . 1 1 5 5 ILE CB C 76 38.570 38.570 38.400 0.170 18437
2576 1 10 . 1 1 5 5 ILE H H 76 8.349 8.349 7.674 0.675 18437
2577 1 10 . 1 1 6 6 LEU N N 77 127.505 127.505 128.006 -0.501 18437
2578 1 10 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.675 -0.301 18437
2579 1 10 . 1 1 6 6 LEU CA C 77 55.042 55.042 54.842 0.200 18437
2580 1 10 . 1 1 6 6 LEU CB C 77 42.700 42.700 42.568 0.132 18437
2581 1 10 . 1 1 6 6 LEU H H 77 8.408 8.408 8.371 0.037 18437
2582 1 10 . 1 1 7 7 ASP N N 78 122.422 122.422 124.268 -1.846 18437
2583 1 10 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.912 -0.103 18437
2584 1 10 . 1 1 7 7 ASP CA C 78 53.746 53.746 54.666 -0.921 18437
2585 1 10 . 1 1 7 7 ASP CB C 78 41.327 41.327 43.670 -2.344 18437
2586 1 10 . 1 1 7 7 ASP H H 78 8.468 8.468 8.477 -0.009 18437
2587 1 10 . 1 1 8 8 THR N N 79 115.682 115.682 112.805 2.877 18437
2588 1 10 . 1 1 8 8 THR HA H 79 4.237 4.237 4.628 -0.391 18437
2589 1 10 . 1 1 8 8 THR CA C 79 62.272 62.272 62.155 0.117 18437
2590 1 10 . 1 1 8 8 THR CB C 79 68.766 68.766 69.430 -0.664 18437
2591 1 10 . 1 1 8 8 THR H H 79 8.447 8.447 8.059 0.388 18437
2592 1 10 . 1 1 9 9 SER N N 80 118.485 118.485 116.296 2.189 18437
2593 1 10 . 1 1 9 9 SER HA H 80 4.349 4.349 4.648 -0.299 18437
2594 1 10 . 1 1 9 9 SER CA C 80 60.346 60.346 58.568 1.778 18437
2595 1 10 . 1 1 9 9 SER CB C 80 63.372 63.372 63.287 0.085 18437
2596 1 10 . 1 1 9 9 SER H H 80 8.521 8.521 7.952 0.569 18437
2597 1 10 . 1 1 10 10 GLU N N 81 121.082 121.082 122.021 -0.939 18437
2598 1 10 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.411 -0.012 18437
2599 1 10 . 1 1 10 10 GLU CA C 81 55.946 55.946 56.186 -0.240 18437
2600 1 10 . 1 1 10 10 GLU CB C 81 30.073 30.073 30.239 -0.166 18437
2601 1 10 . 1 1 10 10 GLU H H 81 8.192 8.192 8.109 0.083 18437
2602 1 10 . 1 1 11 11 LEU N N 82 120.855 120.855 122.070 -1.215 18437
2603 1 10 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.386 0.100 18437
2604 1 10 . 1 1 11 11 LEU CA C 82 54.319 54.319 55.351 -1.032 18437
2605 1 10 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.498 0.804 18437
2606 1 10 . 1 1 11 11 LEU H H 82 7.804 7.804 8.192 -0.388 18437
2607 1 10 . 1 1 12 12 VAL N N 83 119.700 119.700 117.038 2.662 18437
2608 1 10 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.584 -0.155 18437
2609 1 10 . 1 1 12 12 VAL CA C 83 60.069 60.069 60.345 -0.276 18437
2610 1 10 . 1 1 12 12 VAL CB C 83 34.830 34.830 34.356 0.474 18437
2611 1 10 . 1 1 12 12 VAL H H 83 9.270 9.270 8.987 0.283 18437
2612 1 10 . 1 1 13 13 THR N N 84 118.866 118.866 122.788 -3.922 18437
2613 1 10 . 1 1 13 13 THR HA H 84 4.838 4.838 4.291 0.547 18437
2614 1 10 . 1 1 13 13 THR CA C 84 62.246 62.246 63.439 -1.193 18437
2615 1 10 . 1 1 13 13 THR CB C 84 68.463 68.463 68.976 -0.513 18437
2616 1 10 . 1 1 13 13 THR H H 84 8.380 8.380 8.639 -0.259 18437
2617 1 10 . 1 1 14 14 VAL N N 85 120.684 120.684 127.951 -7.267 18437
2618 1 10 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.299 0.487 18437
2619 1 10 . 1 1 14 14 VAL CA C 85 57.719 57.719 60.612 -2.893 18437
2620 1 10 . 1 1 14 14 VAL CB C 85 35.000 35.000 35.670 -0.670 18437
2621 1 10 . 1 1 14 14 VAL H H 85 8.678 8.678 8.518 0.160 18437
2622 1 10 . 1 1 15 15 VAL N N 86 116.897 116.897 128.545 -11.648 18437
2623 1 10 . 1 1 15 15 VAL HA H 86 4.583 4.583 5.055 -0.472 18437
2624 1 10 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.736 1.810 18437
2625 1 10 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.360 -0.660 18437
2626 1 10 . 1 1 15 15 VAL H H 86 8.926 8.926 9.019 -0.093 18437
2627 1 10 . 1 1 16 16 ALA N N 87 127.774 127.774 130.832 -3.058 18437
2628 1 10 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.466 -0.109 18437
2629 1 10 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.394 1.133 18437
2630 1 10 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.869 -0.621 18437
2631 1 10 . 1 1 16 16 ALA H H 87 8.508 8.508 8.505 0.003 18437
2632 1 10 . 1 1 17 17 LEU N N 88 122.162 122.162 121.280 0.882 18437
2633 1 10 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.683 -0.118 18437
2634 1 10 . 1 1 17 17 LEU CA C 88 55.019 55.019 55.762 -0.743 18437
2635 1 10 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.603 0.097 18437
2636 1 10 . 1 1 17 17 LEU H H 88 9.104 9.104 8.958 0.146 18437
2637 1 10 . 1 1 18 18 VAL N N 89 112.263 112.263 113.733 -1.470 18437
2638 1 10 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.476 0.056 18437
2639 1 10 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.553 -1.107 18437
2640 1 10 . 1 1 18 18 VAL CB C 89 36.300 36.300 35.332 0.968 18437
2641 1 10 . 1 1 18 18 VAL H H 89 7.444 7.444 7.579 -0.135 18437
2642 1 10 . 1 1 19 19 LYS N N 90 118.799 118.799 122.429 -3.630 18437
2643 1 10 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.220 0.362 18437
2644 1 10 . 1 1 19 19 LYS CA C 90 56.946 56.946 57.146 -0.200 18437
2645 1 10 . 1 1 19 19 LYS CB C 90 32.573 32.573 30.965 1.608 18437
2646 1 10 . 1 1 19 19 LYS H H 90 8.198 8.198 8.366 -0.168 18437
2647 1 10 . 1 1 20 20 LEU N N 91 124.814 124.814 126.002 -1.188 18437
2648 1 10 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.763 -0.013 18437
2649 1 10 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.550 -0.418 18437
2650 1 10 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.521 -0.121 18437
2651 1 10 . 1 1 20 20 LEU H H 91 8.351 8.351 7.882 0.469 18437
2652 1 10 . 1 1 21 21 HIS N N 92 121.971 121.971 124.119 -2.148 18437
2653 1 10 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.854 0.258 18437
2654 1 10 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.106 0.447 18437
2655 1 10 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.379 -0.152 18437
2656 1 10 . 1 1 21 21 HIS H H 92 8.555 8.555 8.550 0.005 18437
2657 1 10 . 1 1 22 22 THR N N 93 119.332 119.332 117.848 1.484 18437
2658 1 10 . 1 1 22 22 THR HA H 93 4.492 4.492 4.527 -0.035 18437
2659 1 10 . 1 1 22 22 THR CA C 93 59.546 59.546 60.323 -0.777 18437
2660 1 10 . 1 1 22 22 THR CB C 93 69.472 69.472 70.916 -1.444 18437
2661 1 10 . 1 1 22 22 THR H H 93 8.182 8.182 7.960 0.222 18437
2662 1 10 . 1 1 23 23 ASP N N 94 121.861 121.861 128.262 -6.401 18437
2663 1 10 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.209 -0.230 18437
2664 1 10 . 1 1 23 23 ASP CA C 94 53.673 53.673 53.555 0.118 18437
2665 1 10 . 1 1 23 23 ASP CB C 94 41.027 41.027 41.130 -0.103 18437
2666 1 10 . 1 1 23 23 ASP H H 94 8.133 8.133 8.497 -0.364 18437
2667 1 10 . 1 1 24 24 ALA N N 95 125.785 125.785 126.502 -0.717 18437
2668 1 10 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.695 0.458 18437
2669 1 10 . 1 1 24 24 ALA CA C 95 50.916 50.916 51.095 -0.179 18437
2670 1 10 . 1 1 24 24 ALA CB C 95 24.090 24.090 21.326 2.764 18437
2671 1 10 . 1 1 24 24 ALA H H 95 7.992 7.992 8.310 -0.318 18437
2672 1 10 . 1 1 25 25 LEU N N 96 120.726 120.726 125.691 -4.965 18437
2673 1 10 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.444 0.867 18437
2674 1 10 . 1 1 25 25 LEU CA C 96 53.416 53.416 53.901 -0.485 18437
2675 1 10 . 1 1 25 25 LEU CB C 96 46.000 46.000 42.164 3.836 18437
2676 1 10 . 1 1 25 25 LEU H H 96 8.661 8.661 8.609 0.052 18437
2677 1 10 . 1 1 26 26 HIS N N 97 121.175 121.175 125.683 -4.508 18437
2678 1 10 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.369 -0.100 18437
2679 1 10 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.783 1.533 18437
2680 1 10 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.849 0.124 18437
2681 1 10 . 1 1 26 26 HIS H H 97 8.725 8.725 8.136 0.589 18437
2682 1 10 . 1 1 27 27 ALA N N 98 126.618 126.618 130.013 -3.395 18437
2683 1 10 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.441 -0.682 18437
2684 1 10 . 1 1 27 27 ALA CA C 98 56.672 56.672 53.955 2.717 18437
2685 1 10 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.298 0.079 18437
2686 1 10 . 1 1 27 27 ALA H H 98 8.260 8.260 8.770 -0.510 18437
2687 1 10 . 1 1 28 28 THR N N 99 107.369 107.369 112.110 -4.741 18437
2688 1 10 . 1 1 28 28 THR HA H 99 4.584 4.584 4.163 0.421 18437
2689 1 10 . 1 1 28 28 THR CA C 99 61.872 61.872 63.854 -1.982 18437
2690 1 10 . 1 1 28 28 THR CB C 99 70.442 70.442 68.988 1.454 18437
2691 1 10 . 1 1 28 28 THR H H 99 10.304 10.304 8.270 2.034 18437
2692 1 10 . 1 1 29 29 ARG N N 100 124.395 124.395 120.534 3.861 18437
2693 1 10 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.457 0.110 18437
2694 1 10 . 1 1 29 29 ARG CA C 100 55.246 55.246 55.049 0.197 18437
2695 1 10 . 1 1 29 29 ARG CB C 100 32.673 32.673 31.307 1.366 18437
2696 1 10 . 1 1 29 29 ARG H H 100 9.037 9.037 7.862 1.175 18437
2697 1 10 . 1 1 30 30 ASP N N 101 124.596 124.596 121.211 3.385 18437
2698 1 10 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.821 -0.088 18437
2699 1 10 . 1 1 30 30 ASP CA C 101 52.916 52.916 53.964 -1.048 18437
2700 1 10 . 1 1 30 30 ASP CB C 101 38.097 38.097 40.536 -2.439 18437
2701 1 10 . 1 1 30 30 ASP H H 101 8.898 8.898 8.450 0.448 18437
2702 1 10 . 1 1 31 31 GLU N N 102 121.916 121.916 121.168 0.748 18437
2703 1 10 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.654 0.264 18437
2704 1 10 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.390 -1.844 18437
2705 1 10 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.681 0.381 18437
2706 1 10 . 1 1 31 31 GLU H H 102 7.876 7.876 8.252 -0.376 18437
2707 1 10 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.474 0.625 18437
2708 1 10 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.525 0.164 18437
2709 1 10 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.739 0.401 18437
2710 1 10 . 1 1 33 33 VAL N N 104 118.661 118.661 119.807 -1.146 18437
2711 1 10 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.173 0.230 18437
2712 1 10 . 1 1 33 33 VAL CA C 104 61.216 61.216 61.208 0.008 18437
2713 1 10 . 1 1 33 33 VAL CB C 104 35.543 35.543 33.711 1.832 18437
2714 1 10 . 1 1 33 33 VAL H H 104 8.362 8.362 8.000 0.362 18437
2715 1 10 . 1 1 34 34 ALA N N 105 126.902 126.902 129.346 -2.444 18437
2716 1 10 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.566 0.604 18437
2717 1 10 . 1 1 34 34 ALA CA C 105 51.622 51.622 52.366 -0.744 18437
2718 1 10 . 1 1 34 34 ALA CB C 105 21.017 21.017 21.125 -0.108 18437
2719 1 10 . 1 1 34 34 ALA H H 105 8.726 8.726 8.485 0.241 18437
2720 1 10 . 1 1 35 35 PHE N N 106 119.156 119.156 113.983 5.173 18437
2721 1 10 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.548 0.688 18437
2722 1 10 . 1 1 35 35 PHE CA C 106 56.646 56.646 55.150 1.496 18437
2723 1 10 . 1 1 35 35 PHE CB C 106 41.300 41.300 40.687 0.613 18437
2724 1 10 . 1 1 35 35 PHE H H 106 7.597 7.597 7.067 0.530 18437
2725 1 10 . 1 1 36 36 VAL N N 107 120.344 120.344 118.355 1.989 18437
2726 1 10 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.310 -0.091 18437
2727 1 10 . 1 1 36 36 VAL CA C 107 59.546 59.546 59.790 -0.244 18437
2728 1 10 . 1 1 36 36 VAL CB C 107 35.200 35.200 34.015 1.185 18437
2729 1 10 . 1 1 36 36 VAL H H 107 8.267 8.267 8.521 -0.254 18437
2730 1 10 . 1 1 37 37 LEU N N 108 121.820 121.820 120.974 0.846 18437
2731 1 10 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.903 -0.474 18437
2732 1 10 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.847 0.019 18437
2733 1 10 . 1 1 37 37 LEU CB C 108 41.100 41.100 43.376 -2.276 18437
2734 1 10 . 1 1 37 37 LEU H H 108 7.737 7.737 8.437 -0.700 18437
2735 1 10 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.513 -0.802 18437
2736 1 10 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.551 0.121 18437
2737 1 10 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.298 0.775 18437
2738 1 10 . 1 1 39 39 GLY N N 110 112.032 112.032 111.855 0.177 18437
2739 1 10 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.327 -0.484 18437
2740 1 10 . 1 1 39 39 GLY H H 110 9.026 9.026 8.388 0.638 18437
2741 1 10 . 1 1 40 40 THR N N 111 119.141 119.141 120.177 -1.036 18437
2742 1 10 . 1 1 40 40 THR HA H 111 4.330 4.330 4.566 -0.236 18437
2743 1 10 . 1 1 40 40 THR CA C 111 63.346 63.346 61.946 1.400 18437
2744 1 10 . 1 1 40 40 THR CB C 111 69.512 69.512 69.859 -0.347 18437
2745 1 10 . 1 1 40 40 THR H H 111 8.039 8.039 7.910 0.129 18437
2746 1 10 . 1 1 41 41 ALA N N 112 131.125 131.125 129.021 2.104 18437
2747 1 10 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.541 1.166 18437
2748 1 10 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.252 -0.939 18437
2749 1 10 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.570 0.352 18437
2750 1 10 . 1 1 41 41 ALA H H 112 8.900 8.900 8.523 0.377 18437
2751 1 10 . 1 1 42 42 PHE N N 113 116.476 116.476 121.578 -5.102 18437
2752 1 10 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.887 -0.229 18437
2753 1 10 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.391 1.281 18437
2754 1 10 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.715 -3.322 18437
2755 1 10 . 1 1 42 42 PHE H H 113 9.220 9.220 8.657 0.563 18437
2756 1 10 . 1 1 43 43 ARG N N 114 117.116 117.116 123.377 -6.261 18437
2757 1 10 . 1 1 43 43 ARG HA H 114 5.640 5.640 5.181 0.459 18437
2758 1 10 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.412 -0.342 18437
2759 1 10 . 1 1 43 43 ARG CB C 114 34.900 34.900 31.068 3.832 18437
2760 1 10 . 1 1 43 43 ARG H H 114 9.145 9.145 8.538 0.607 18437
2761 1 10 . 1 1 44 44 VAL N N 115 113.755 113.755 116.764 -3.009 18437
2762 1 10 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.657 0.196 18437
2763 1 10 . 1 1 44 44 VAL CA C 115 58.772 58.772 59.421 -0.649 18437
2764 1 10 . 1 1 44 44 VAL CB C 115 37.500 37.500 35.536 1.964 18437
2765 1 10 . 1 1 44 44 VAL H H 115 8.441 8.441 8.756 -0.315 18437
2766 1 10 . 1 1 45 45 SER N N 116 115.947 115.947 115.087 0.860 18437
2767 1 10 . 1 1 45 45 SER HA H 116 4.530 4.530 4.576 -0.046 18437
2768 1 10 . 1 1 45 45 SER CA C 116 58.168 58.168 57.964 0.204 18437
2769 1 10 . 1 1 45 45 SER CB C 116 64.399 64.399 64.558 -0.159 18437
2770 1 10 . 1 1 45 45 SER H H 116 8.723 8.723 8.498 0.225 18437
2771 1 10 . 1 1 46 46 ALA N N 117 123.625 123.625 128.150 -4.525 18437
2772 1 10 . 1 1 46 46 ALA HA H 117 3.980 3.980 4.099 -0.119 18437
2773 1 10 . 1 1 46 46 ALA CA C 117 55.772 55.772 54.858 0.914 18437
2774 1 10 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.843 -0.733 18437
2775 1 10 . 1 1 46 46 ALA H H 117 9.143 9.143 8.912 0.231 18437
2776 1 10 . 1 1 47 47 GLY N N 118 106.332 106.332 106.792 -0.460 18437
2777 1 10 . 1 1 47 47 GLY CA C 118 46.900 46.900 46.350 0.550 18437
2778 1 10 . 1 1 47 47 GLY H H 118 8.937 8.937 7.665 1.272 18437
2779 1 10 . 1 1 48 48 VAL N N 119 124.965 124.965 123.311 1.654 18437
2780 1 10 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.783 0.060 18437
2781 1 10 . 1 1 48 48 VAL CA C 119 65.816 65.816 64.836 0.980 18437
2782 1 10 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.240 0.727 18437
2783 1 10 . 1 1 48 48 VAL H H 119 7.376 7.376 7.693 -0.317 18437
2784 1 10 . 1 1 49 49 ALA N N 120 122.605 122.605 121.696 0.909 18437
2785 1 10 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.909 -0.237 18437
2786 1 10 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.340 0.132 18437
2787 1 10 . 1 1 49 49 ALA CB C 120 18.454 18.454 17.969 0.485 18437
2788 1 10 . 1 1 49 49 ALA H H 120 8.805 8.805 8.136 0.669 18437
2789 1 10 . 1 1 50 50 ALA N N 121 119.852 119.852 120.278 -0.426 18437
2790 1 10 . 1 1 50 50 ALA HA H 121 4.088 4.088 4.007 0.081 18437
2791 1 10 . 1 1 50 50 ALA CA C 121 54.946 54.946 54.987 -0.041 18437
2792 1 10 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.224 -0.546 18437
2793 1 10 . 1 1 50 50 ALA H H 121 7.976 7.976 7.836 0.140 18437
2794 1 10 . 1 1 51 51 GLU N N 122 118.977 118.977 117.674 1.303 18437
2795 1 10 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.130 0.016 18437
2796 1 10 . 1 1 51 51 GLU CA C 122 59.272 59.272 58.911 0.361 18437
2797 1 10 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.669 0.031 18437
2798 1 10 . 1 1 51 51 GLU H H 122 7.369 7.369 7.714 -0.345 18437
2799 1 10 . 1 1 52 52 MET N N 123 116.735 116.735 118.377 -1.642 18437
2800 1 10 . 1 1 52 52 MET HA H 123 3.941 3.941 4.274 -0.333 18437
2801 1 10 . 1 1 52 52 MET CA C 123 60.416 60.416 57.967 2.449 18437
2802 1 10 . 1 1 52 52 MET CB C 123 33.973 33.973 31.888 2.085 18437
2803 1 10 . 1 1 52 52 MET H H 123 8.794 8.794 8.059 0.735 18437
2804 1 10 . 1 1 53 53 THR N N 124 112.866 112.866 110.004 2.862 18437
2805 1 10 . 1 1 53 53 THR HA H 124 4.605 4.605 4.322 0.283 18437
2806 1 10 . 1 1 53 53 THR CA C 124 64.742 64.742 64.546 0.196 18437
2807 1 10 . 1 1 53 53 THR CB C 124 68.392 68.392 68.839 -0.447 18437
2808 1 10 . 1 1 53 53 THR H H 124 8.622 8.622 8.295 0.327 18437
2809 1 10 . 1 1 54 54 GLU N N 125 125.722 125.722 120.475 5.247 18437
2810 1 10 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.162 -0.019 18437
2811 1 10 . 1 1 54 54 GLU CA C 125 59.639 59.639 58.048 1.591 18437
2812 1 10 . 1 1 54 54 GLU H H 125 8.054 8.054 7.543 0.511 18437
2813 1 10 . 1 1 55 55 ARG N N 126 114.393 114.393 117.285 -2.892 18437
2814 1 10 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.297 0.076 18437
2815 1 10 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.485 -0.013 18437
2816 1 10 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.746 1.054 18437
2817 1 10 . 1 1 55 55 ARG H H 126 7.703 7.703 7.869 -0.166 18437
2818 1 10 . 1 1 56 56 GLY N N 127 107.070 107.070 106.388 0.682 18437
2819 1 10 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.891 0.309 18437
2820 1 10 . 1 1 56 56 GLY H H 127 7.759 7.759 7.791 -0.032 18437
2821 1 10 . 1 1 57 57 LEU N N 128 116.338 116.338 118.057 -1.719 18437
2822 1 10 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.608 -0.237 18437
2823 1 10 . 1 1 57 57 LEU CA C 128 55.572 55.572 54.955 0.617 18437
2824 1 10 . 1 1 57 57 LEU CB C 128 42.427 42.427 42.923 -0.496 18437
2825 1 10 . 1 1 57 57 LEU H H 128 8.293 8.293 7.592 0.701 18437
2826 1 10 . 1 1 58 58 ALA N N 129 116.379 116.379 119.404 -3.025 18437
2827 1 10 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.913 0.217 18437
2828 1 10 . 1 1 58 58 ALA CA C 129 50.142 50.142 50.862 -0.720 18437
2829 1 10 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.415 0.893 18437
2830 1 10 . 1 1 58 58 ALA H H 129 7.351 7.351 7.381 -0.030 18437
2831 1 10 . 1 1 59 59 ARG N N 130 115.969 115.969 120.410 -4.441 18437
2832 1 10 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.846 0.076 18437
2833 1 10 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.837 -1.648 18437
2834 1 10 . 1 1 59 59 ARG CB C 130 33.453 33.453 34.376 -0.923 18437
2835 1 10 . 1 1 59 59 ARG H H 130 8.771 8.771 8.962 -0.191 18437
2836 1 10 . 1 1 60 60 MET N N 131 120.973 120.973 124.064 -3.091 18437
2837 1 10 . 1 1 60 60 MET HA H 131 4.415 4.415 4.463 -0.048 18437
2838 1 10 . 1 1 60 60 MET CA C 131 55.677 55.677 56.425 -0.748 18437
2839 1 10 . 1 1 60 60 MET CB C 131 31.527 31.527 32.410 -0.883 18437
2840 1 10 . 1 1 60 60 MET H H 131 8.910 8.910 8.696 0.214 18437
2841 1 11 . 1 1 2 2 ASP N N 73 119.729 119.729 117.292 2.437 18437
2842 1 11 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.652 -0.032 18437
2843 1 11 . 1 1 2 2 ASP CA C 73 54.246 54.246 54.436 -0.190 18437
2844 1 11 . 1 1 2 2 ASP CB C 73 41.077 41.077 42.089 -1.012 18437
2845 1 11 . 1 1 2 2 ASP H H 73 8.508 8.508 8.527 -0.019 18437
2846 1 11 . 1 1 3 3 THR N N 74 114.613 114.613 115.321 -0.708 18437
2847 1 11 . 1 1 3 3 THR HA H 74 4.328 4.328 4.447 -0.119 18437
2848 1 11 . 1 1 3 3 THR CA C 74 62.046 62.046 62.434 -0.388 18437
2849 1 11 . 1 1 3 3 THR CB C 74 69.779 69.779 70.512 -0.733 18437
2850 1 11 . 1 1 3 3 THR H H 74 8.047 8.047 7.762 0.285 18437
2851 1 11 . 1 1 4 4 VAL N N 75 123.803 123.803 121.749 2.054 18437
2852 1 11 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.832 0.291 18437
2853 1 11 . 1 1 4 4 VAL CA C 75 62.272 62.272 62.726 -0.454 18437
2854 1 11 . 1 1 4 4 VAL CB C 75 32.873 32.873 31.006 1.867 18437
2855 1 11 . 1 1 4 4 VAL H H 75 8.225 8.225 7.995 0.230 18437
2856 1 11 . 1 1 5 5 ILE N N 76 126.050 126.050 120.297 5.753 18437
2857 1 11 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.282 -0.110 18437
2858 1 11 . 1 1 5 5 ILE CA C 76 60.469 60.469 59.255 1.214 18437
2859 1 11 . 1 1 5 5 ILE CB C 76 38.570 38.570 39.482 -0.912 18437
2860 1 11 . 1 1 5 5 ILE H H 76 8.349 8.349 7.711 0.638 18437
2861 1 11 . 1 1 6 6 LEU N N 77 127.505 127.505 127.997 -0.492 18437
2862 1 11 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.295 0.079 18437
2863 1 11 . 1 1 6 6 LEU CA C 77 55.042 55.042 55.223 -0.181 18437
2864 1 11 . 1 1 6 6 LEU CB C 77 42.700 42.700 41.860 0.840 18437
2865 1 11 . 1 1 6 6 LEU H H 77 8.408 8.408 8.495 -0.087 18437
2866 1 11 . 1 1 7 7 ASP N N 78 122.422 122.422 126.934 -4.512 18437
2867 1 11 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.923 -0.114 18437
2868 1 11 . 1 1 7 7 ASP CA C 78 53.746 53.746 53.713 0.033 18437
2869 1 11 . 1 1 7 7 ASP CB C 78 41.327 41.327 41.466 -0.139 18437
2870 1 11 . 1 1 7 7 ASP H H 78 8.468 8.468 8.566 -0.098 18437
2871 1 11 . 1 1 8 8 THR N N 79 115.682 115.682 113.782 1.900 18437
2872 1 11 . 1 1 8 8 THR HA H 79 4.237 4.237 4.633 -0.396 18437
2873 1 11 . 1 1 8 8 THR CA C 79 62.272 62.272 61.490 0.782 18437
2874 1 11 . 1 1 8 8 THR CB C 79 68.766 68.766 70.816 -2.050 18437
2875 1 11 . 1 1 8 8 THR H H 79 8.447 8.447 8.189 0.258 18437
2876 1 11 . 1 1 9 9 SER N N 80 118.485 118.485 116.780 1.705 18437
2877 1 11 . 1 1 9 9 SER HA H 80 4.349 4.349 4.151 0.198 18437
2878 1 11 . 1 1 9 9 SER CA C 80 60.346 60.346 59.738 0.608 18437
2879 1 11 . 1 1 9 9 SER CB C 80 63.372 63.372 62.987 0.385 18437
2880 1 11 . 1 1 9 9 SER H H 80 8.521 8.521 8.705 -0.184 18437
2881 1 11 . 1 1 10 10 GLU N N 81 121.082 121.082 120.634 0.448 18437
2882 1 11 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.474 -0.075 18437
2883 1 11 . 1 1 10 10 GLU CA C 81 55.946 55.946 55.905 0.041 18437
2884 1 11 . 1 1 10 10 GLU CB C 81 30.073 30.073 30.373 -0.300 18437
2885 1 11 . 1 1 10 10 GLU H H 81 8.192 8.192 8.396 -0.204 18437
2886 1 11 . 1 1 11 11 LEU N N 82 120.855 120.855 122.344 -1.489 18437
2887 1 11 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.629 -0.143 18437
2888 1 11 . 1 1 11 11 LEU CA C 82 54.319 54.319 54.192 0.127 18437
2889 1 11 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.665 0.637 18437
2890 1 11 . 1 1 11 11 LEU H H 82 7.804 7.804 8.225 -0.421 18437
2891 1 11 . 1 1 12 12 VAL N N 83 119.700 119.700 118.275 1.425 18437
2892 1 11 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.587 -0.158 18437
2893 1 11 . 1 1 12 12 VAL CA C 83 60.069 60.069 60.119 -0.050 18437
2894 1 11 . 1 1 12 12 VAL CB C 83 34.830 34.830 34.055 0.775 18437
2895 1 11 . 1 1 12 12 VAL H H 83 9.270 9.270 9.109 0.161 18437
2896 1 11 . 1 1 13 13 THR N N 84 118.866 118.866 123.800 -4.934 18437
2897 1 11 . 1 1 13 13 THR HA H 84 4.838 4.838 4.218 0.620 18437
2898 1 11 . 1 1 13 13 THR CA C 84 62.246 62.246 63.395 -1.149 18437
2899 1 11 . 1 1 13 13 THR CB C 84 68.463 68.463 68.984 -0.521 18437
2900 1 11 . 1 1 13 13 THR H H 84 8.380 8.380 8.616 -0.236 18437
2901 1 11 . 1 1 14 14 VAL N N 85 120.684 120.684 127.581 -6.897 18437
2902 1 11 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.442 0.344 18437
2903 1 11 . 1 1 14 14 VAL CA C 85 57.719 57.719 60.037 -2.318 18437
2904 1 11 . 1 1 14 14 VAL CB C 85 35.000 35.000 34.960 0.040 18437
2905 1 11 . 1 1 14 14 VAL H H 85 8.678 8.678 8.568 0.110 18437
2906 1 11 . 1 1 15 15 VAL N N 86 116.897 116.897 127.726 -10.829 18437
2907 1 11 . 1 1 15 15 VAL HA H 86 4.583 4.583 5.108 -0.525 18437
2908 1 11 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.766 1.780 18437
2909 1 11 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.620 -0.920 18437
2910 1 11 . 1 1 15 15 VAL H H 86 8.926 8.926 9.007 -0.081 18437
2911 1 11 . 1 1 16 16 ALA N N 87 127.774 127.774 130.475 -2.701 18437
2912 1 11 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.480 -0.123 18437
2913 1 11 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.466 1.061 18437
2914 1 11 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.919 -0.671 18437
2915 1 11 . 1 1 16 16 ALA H H 87 8.508 8.508 8.496 0.012 18437
2916 1 11 . 1 1 17 17 LEU N N 88 122.162 122.162 119.559 2.603 18437
2917 1 11 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.693 -0.128 18437
2918 1 11 . 1 1 17 17 LEU CA C 88 55.019 55.019 55.493 -0.474 18437
2919 1 11 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.644 0.056 18437
2920 1 11 . 1 1 17 17 LEU H H 88 9.104 9.104 8.950 0.154 18437
2921 1 11 . 1 1 18 18 VAL N N 89 112.263 112.263 112.655 -0.392 18437
2922 1 11 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.430 0.102 18437
2923 1 11 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.745 -1.298 18437
2924 1 11 . 1 1 18 18 VAL CB C 89 36.300 36.300 35.122 1.178 18437
2925 1 11 . 1 1 18 18 VAL H H 89 7.444 7.444 7.517 -0.073 18437
2926 1 11 . 1 1 19 19 LYS N N 90 118.799 118.799 121.901 -3.102 18437
2927 1 11 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.213 0.369 18437
2928 1 11 . 1 1 19 19 LYS CA C 90 56.946 56.946 57.059 -0.113 18437
2929 1 11 . 1 1 19 19 LYS CB C 90 32.573 32.573 31.218 1.355 18437
2930 1 11 . 1 1 19 19 LYS H H 90 8.198 8.198 8.354 -0.156 18437
2931 1 11 . 1 1 20 20 LEU N N 91 124.814 124.814 126.059 -1.245 18437
2932 1 11 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.776 -0.026 18437
2933 1 11 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.273 -0.141 18437
2934 1 11 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.533 -0.133 18437
2935 1 11 . 1 1 20 20 LEU H H 91 8.351 8.351 8.287 0.064 18437
2936 1 11 . 1 1 21 21 HIS N N 92 121.971 121.971 123.267 -1.296 18437
2937 1 11 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.822 0.290 18437
2938 1 11 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.835 -0.282 18437
2939 1 11 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.271 -0.044 18437
2940 1 11 . 1 1 21 21 HIS H H 92 8.555 8.555 8.622 -0.067 18437
2941 1 11 . 1 1 22 22 THR N N 93 119.332 119.332 117.458 1.874 18437
2942 1 11 . 1 1 22 22 THR HA H 93 4.492 4.492 4.515 -0.023 18437
2943 1 11 . 1 1 22 22 THR CA C 93 59.546 59.546 59.973 -0.427 18437
2944 1 11 . 1 1 22 22 THR CB C 93 69.472 69.472 70.071 -0.599 18437
2945 1 11 . 1 1 22 22 THR H H 93 8.182 8.182 7.945 0.237 18437
2946 1 11 . 1 1 23 23 ASP N N 94 121.861 121.861 124.550 -2.689 18437
2947 1 11 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.143 -0.164 18437
2948 1 11 . 1 1 23 23 ASP CA C 94 53.673 53.673 52.462 1.211 18437
2949 1 11 . 1 1 23 23 ASP CB C 94 41.027 41.027 40.759 0.268 18437
2950 1 11 . 1 1 23 23 ASP H H 94 8.133 8.133 8.341 -0.208 18437
2951 1 11 . 1 1 24 24 ALA N N 95 125.785 125.785 125.679 0.106 18437
2952 1 11 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.569 0.584 18437
2953 1 11 . 1 1 24 24 ALA CA C 95 50.916 50.916 51.161 -0.245 18437
2954 1 11 . 1 1 24 24 ALA CB C 95 24.090 24.090 21.055 3.035 18437
2955 1 11 . 1 1 24 24 ALA H H 95 7.992 7.992 7.815 0.177 18437
2956 1 11 . 1 1 25 25 LEU N N 96 120.726 120.726 125.512 -4.786 18437
2957 1 11 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.471 0.840 18437
2958 1 11 . 1 1 25 25 LEU CA C 96 53.416 53.416 53.992 -0.576 18437
2959 1 11 . 1 1 25 25 LEU CB C 96 46.000 46.000 42.108 3.893 18437
2960 1 11 . 1 1 25 25 LEU H H 96 8.661 8.661 8.535 0.126 18437
2961 1 11 . 1 1 26 26 HIS N N 97 121.175 121.175 125.668 -4.493 18437
2962 1 11 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.362 -0.093 18437
2963 1 11 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.816 1.500 18437
2964 1 11 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.841 0.132 18437
2965 1 11 . 1 1 26 26 HIS H H 97 8.725 8.725 8.070 0.655 18437
2966 1 11 . 1 1 27 27 ALA N N 98 126.618 126.618 129.963 -3.345 18437
2967 1 11 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.333 -0.574 18437
2968 1 11 . 1 1 27 27 ALA CA C 98 56.672 56.672 53.995 2.676 18437
2969 1 11 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.248 0.129 18437
2970 1 11 . 1 1 27 27 ALA H H 98 8.260 8.260 8.623 -0.363 18437
2971 1 11 . 1 1 28 28 THR N N 99 107.369 107.369 112.105 -4.736 18437
2972 1 11 . 1 1 28 28 THR HA H 99 4.584 4.584 4.135 0.449 18437
2973 1 11 . 1 1 28 28 THR CA C 99 61.872 61.872 63.291 -1.419 18437
2974 1 11 . 1 1 28 28 THR CB C 99 70.442 70.442 69.230 1.212 18437
2975 1 11 . 1 1 28 28 THR H H 99 10.304 10.304 8.169 2.135 18437
2976 1 11 . 1 1 29 29 ARG N N 100 124.395 124.395 119.781 4.614 18437
2977 1 11 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.441 0.126 18437
2978 1 11 . 1 1 29 29 ARG CA C 100 55.246 55.246 54.681 0.565 18437
2979 1 11 . 1 1 29 29 ARG CB C 100 32.673 32.673 31.349 1.324 18437
2980 1 11 . 1 1 29 29 ARG H H 100 9.037 9.037 7.842 1.195 18437
2981 1 11 . 1 1 30 30 ASP N N 101 124.596 124.596 121.463 3.133 18437
2982 1 11 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.805 -0.072 18437
2983 1 11 . 1 1 30 30 ASP CA C 101 52.916 52.916 54.100 -1.184 18437
2984 1 11 . 1 1 30 30 ASP CB C 101 38.097 38.097 40.699 -2.602 18437
2985 1 11 . 1 1 30 30 ASP H H 101 8.898 8.898 8.449 0.449 18437
2986 1 11 . 1 1 31 31 GLU N N 102 121.916 121.916 121.405 0.511 18437
2987 1 11 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.687 0.231 18437
2988 1 11 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.468 -1.922 18437
2989 1 11 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.909 0.153 18437
2990 1 11 . 1 1 31 31 GLU H H 102 7.876 7.876 8.353 -0.477 18437
2991 1 11 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.470 0.629 18437
2992 1 11 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.344 0.345 18437
2993 1 11 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.744 0.396 18437
2994 1 11 . 1 1 33 33 VAL N N 104 118.661 118.661 118.347 0.314 18437
2995 1 11 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.165 0.238 18437
2996 1 11 . 1 1 33 33 VAL CA C 104 61.216 61.216 61.070 0.146 18437
2997 1 11 . 1 1 33 33 VAL CB C 104 35.543 35.543 34.665 0.878 18437
2998 1 11 . 1 1 33 33 VAL H H 104 8.362 8.362 7.635 0.727 18437
2999 1 11 . 1 1 34 34 ALA N N 105 126.902 126.902 128.419 -1.517 18437
3000 1 11 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.524 0.646 18437
3001 1 11 . 1 1 34 34 ALA CA C 105 51.622 51.622 52.155 -0.533 18437
3002 1 11 . 1 1 34 34 ALA CB C 105 21.017 21.017 21.148 -0.131 18437
3003 1 11 . 1 1 34 34 ALA H H 105 8.726 8.726 8.347 0.379 18437
3004 1 11 . 1 1 35 35 PHE N N 106 119.156 119.156 114.675 4.481 18437
3005 1 11 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.516 0.720 18437
3006 1 11 . 1 1 35 35 PHE CA C 106 56.646 56.646 55.249 1.397 18437
3007 1 11 . 1 1 35 35 PHE CB C 106 41.300 41.300 40.628 0.672 18437
3008 1 11 . 1 1 35 35 PHE H H 106 7.597 7.597 6.896 0.701 18437
3009 1 11 . 1 1 36 36 VAL N N 107 120.344 120.344 118.825 1.519 18437
3010 1 11 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.332 -0.113 18437
3011 1 11 . 1 1 36 36 VAL CA C 107 59.546 59.546 60.035 -0.489 18437
3012 1 11 . 1 1 36 36 VAL CB C 107 35.200 35.200 33.362 1.838 18437
3013 1 11 . 1 1 36 36 VAL H H 107 8.267 8.267 8.694 -0.427 18437
3014 1 11 . 1 1 37 37 LEU N N 108 121.820 121.820 122.032 -0.212 18437
3015 1 11 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.904 -0.474 18437
3016 1 11 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.350 0.516 18437
3017 1 11 . 1 1 37 37 LEU CB C 108 41.100 41.100 43.598 -2.498 18437
3018 1 11 . 1 1 37 37 LEU H H 108 7.737 7.737 8.384 -0.647 18437
3019 1 11 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.453 -0.742 18437
3020 1 11 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.449 0.223 18437
3021 1 11 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.355 0.718 18437
3022 1 11 . 1 1 39 39 GLY N N 110 112.032 112.032 112.564 -0.532 18437
3023 1 11 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.120 -0.277 18437
3024 1 11 . 1 1 39 39 GLY H H 110 9.026 9.026 8.311 0.715 18437
3025 1 11 . 1 1 40 40 THR N N 111 119.141 119.141 119.148 -0.007 18437
3026 1 11 . 1 1 40 40 THR HA H 111 4.330 4.330 4.520 -0.190 18437
3027 1 11 . 1 1 40 40 THR CA C 111 63.346 63.346 61.591 1.755 18437
3028 1 11 . 1 1 40 40 THR CB C 111 69.512 69.512 70.424 -0.912 18437
3029 1 11 . 1 1 40 40 THR H H 111 8.039 8.039 7.808 0.231 18437
3030 1 11 . 1 1 41 41 ALA N N 112 131.125 131.125 129.098 2.027 18437
3031 1 11 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.625 1.082 18437
3032 1 11 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.235 -0.923 18437
3033 1 11 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.716 0.206 18437
3034 1 11 . 1 1 41 41 ALA H H 112 8.900 8.900 8.556 0.344 18437
3035 1 11 . 1 1 42 42 PHE N N 113 116.476 116.476 121.472 -4.996 18437
3036 1 11 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.893 -0.235 18437
3037 1 11 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.398 1.274 18437
3038 1 11 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.730 -3.337 18437
3039 1 11 . 1 1 42 42 PHE H H 113 9.220 9.220 8.717 0.503 18437
3040 1 11 . 1 1 43 43 ARG N N 114 117.116 117.116 123.019 -5.903 18437
3041 1 11 . 1 1 43 43 ARG HA H 114 5.640 5.640 5.145 0.495 18437
3042 1 11 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.539 -0.469 18437
3043 1 11 . 1 1 43 43 ARG CB C 114 34.900 34.900 31.241 3.659 18437
3044 1 11 . 1 1 43 43 ARG H H 114 9.145 9.145 8.482 0.663 18437
3045 1 11 . 1 1 44 44 VAL N N 115 113.755 113.755 117.194 -3.439 18437
3046 1 11 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.631 0.222 18437
3047 1 11 . 1 1 44 44 VAL CA C 115 58.772 58.772 59.626 -0.854 18437
3048 1 11 . 1 1 44 44 VAL CB C 115 37.500 37.500 35.502 1.998 18437
3049 1 11 . 1 1 44 44 VAL H H 115 8.441 8.441 8.623 -0.182 18437
3050 1 11 . 1 1 45 45 SER N N 116 115.947 115.947 114.581 1.366 18437
3051 1 11 . 1 1 45 45 SER HA H 116 4.530 4.530 4.494 0.036 18437
3052 1 11 . 1 1 45 45 SER CA C 116 58.168 58.168 57.887 0.281 18437
3053 1 11 . 1 1 45 45 SER CB C 116 64.399 64.399 64.241 0.158 18437
3054 1 11 . 1 1 45 45 SER H H 116 8.723 8.723 8.485 0.238 18437
3055 1 11 . 1 1 46 46 ALA N N 117 123.625 123.625 127.356 -3.731 18437
3056 1 11 . 1 1 46 46 ALA HA H 117 3.980 3.980 4.100 -0.120 18437
3057 1 11 . 1 1 46 46 ALA CA C 117 55.772 55.772 54.746 1.026 18437
3058 1 11 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.724 -0.614 18437
3059 1 11 . 1 1 46 46 ALA H H 117 9.143 9.143 9.061 0.082 18437
3060 1 11 . 1 1 47 47 GLY N N 118 106.332 106.332 106.960 -0.628 18437
3061 1 11 . 1 1 47 47 GLY CA C 118 46.900 46.900 46.378 0.522 18437
3062 1 11 . 1 1 47 47 GLY H H 118 8.937 8.937 7.677 1.260 18437
3063 1 11 . 1 1 48 48 VAL N N 119 124.965 124.965 123.487 1.478 18437
3064 1 11 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.801 0.042 18437
3065 1 11 . 1 1 48 48 VAL CA C 119 65.816 65.816 63.754 2.062 18437
3066 1 11 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.235 0.732 18437
3067 1 11 . 1 1 48 48 VAL H H 119 7.376 7.376 7.655 -0.279 18437
3068 1 11 . 1 1 49 49 ALA N N 120 122.605 122.605 121.479 1.126 18437
3069 1 11 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.914 -0.242 18437
3070 1 11 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.286 0.186 18437
3071 1 11 . 1 1 49 49 ALA CB C 120 18.454 18.454 17.871 0.583 18437
3072 1 11 . 1 1 49 49 ALA H H 120 8.805 8.805 8.065 0.740 18437
3073 1 11 . 1 1 50 50 ALA N N 121 119.852 119.852 120.265 -0.413 18437
3074 1 11 . 1 1 50 50 ALA HA H 121 4.088 4.088 3.992 0.096 18437
3075 1 11 . 1 1 50 50 ALA CA C 121 54.946 54.946 54.950 -0.004 18437
3076 1 11 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.206 -0.528 18437
3077 1 11 . 1 1 50 50 ALA H H 121 7.976 7.976 7.872 0.104 18437
3078 1 11 . 1 1 51 51 GLU N N 122 118.977 118.977 118.276 0.701 18437
3079 1 11 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.116 0.030 18437
3080 1 11 . 1 1 51 51 GLU CA C 122 59.272 59.272 59.093 0.179 18437
3081 1 11 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.675 0.025 18437
3082 1 11 . 1 1 51 51 GLU H H 122 7.369 7.369 7.715 -0.346 18437
3083 1 11 . 1 1 52 52 MET N N 123 116.735 116.735 117.836 -1.101 18437
3084 1 11 . 1 1 52 52 MET HA H 123 3.941 3.941 4.223 -0.282 18437
3085 1 11 . 1 1 52 52 MET CA C 123 60.416 60.416 58.240 2.176 18437
3086 1 11 . 1 1 52 52 MET CB C 123 33.973 33.973 31.723 2.250 18437
3087 1 11 . 1 1 52 52 MET H H 123 8.794 8.794 8.145 0.649 18437
3088 1 11 . 1 1 53 53 THR N N 124 112.866 112.866 110.447 2.419 18437
3089 1 11 . 1 1 53 53 THR HA H 124 4.605 4.605 4.419 0.186 18437
3090 1 11 . 1 1 53 53 THR CA C 124 64.742 64.742 65.416 -0.674 18437
3091 1 11 . 1 1 53 53 THR CB C 124 68.392 68.392 68.654 -0.262 18437
3092 1 11 . 1 1 53 53 THR H H 124 8.622 8.622 8.310 0.312 18437
3093 1 11 . 1 1 54 54 GLU N N 125 125.722 125.722 120.633 5.089 18437
3094 1 11 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.180 -0.037 18437
3095 1 11 . 1 1 54 54 GLU CA C 125 59.639 59.639 58.112 1.527 18437
3096 1 11 . 1 1 54 54 GLU H H 125 8.054 8.054 7.587 0.467 18437
3097 1 11 . 1 1 55 55 ARG N N 126 114.393 114.393 116.843 -2.450 18437
3098 1 11 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.362 0.011 18437
3099 1 11 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.503 -0.031 18437
3100 1 11 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.873 0.927 18437
3101 1 11 . 1 1 55 55 ARG H H 126 7.703 7.703 8.120 -0.417 18437
3102 1 11 . 1 1 56 56 GLY N N 127 107.070 107.070 106.939 0.131 18437
3103 1 11 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.990 0.209 18437
3104 1 11 . 1 1 56 56 GLY H H 127 7.759 7.759 7.729 0.030 18437
3105 1 11 . 1 1 57 57 LEU N N 128 116.338 116.338 119.128 -2.790 18437
3106 1 11 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.403 -0.032 18437
3107 1 11 . 1 1 57 57 LEU CA C 128 55.572 55.572 55.728 -0.156 18437
3108 1 11 . 1 1 57 57 LEU CB C 128 42.427 42.427 42.357 0.070 18437
3109 1 11 . 1 1 57 57 LEU H H 128 8.293 8.293 7.653 0.640 18437
3110 1 11 . 1 1 58 58 ALA N N 129 116.379 116.379 118.145 -1.766 18437
3111 1 11 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.955 0.175 18437
3112 1 11 . 1 1 58 58 ALA CA C 129 50.142 50.142 51.035 -0.894 18437
3113 1 11 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.459 0.849 18437
3114 1 11 . 1 1 58 58 ALA H H 129 7.351 7.351 7.362 -0.011 18437
3115 1 11 . 1 1 59 59 ARG N N 130 115.969 115.969 120.444 -4.475 18437
3116 1 11 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.871 0.051 18437
3117 1 11 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.628 -1.439 18437
3118 1 11 . 1 1 59 59 ARG CB C 130 33.453 33.453 34.617 -1.164 18437
3119 1 11 . 1 1 59 59 ARG H H 130 8.771 8.771 8.908 -0.137 18437
3120 1 11 . 1 1 60 60 MET N N 131 120.973 120.973 123.197 -2.224 18437
3121 1 11 . 1 1 60 60 MET HA H 131 4.415 4.415 4.425 -0.010 18437
3122 1 11 . 1 1 60 60 MET CA C 131 55.677 55.677 56.715 -1.038 18437
3123 1 11 . 1 1 60 60 MET CB C 131 31.527 31.527 32.431 -0.904 18437
3124 1 11 . 1 1 60 60 MET H H 131 8.910 8.910 8.689 0.221 18437
3125 1 12 . 1 1 2 2 ASP N N 73 119.729 119.729 117.243 2.486 18437
3126 1 12 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.654 -0.034 18437
3127 1 12 . 1 1 2 2 ASP CA C 73 54.246 54.246 54.544 -0.298 18437
3128 1 12 . 1 1 2 2 ASP CB C 73 41.077 41.077 41.915 -0.838 18437
3129 1 12 . 1 1 2 2 ASP H H 73 8.508 8.508 8.519 -0.011 18437
3130 1 12 . 1 1 3 3 THR N N 74 114.613 114.613 115.513 -0.900 18437
3131 1 12 . 1 1 3 3 THR HA H 74 4.328 4.328 4.406 -0.078 18437
3132 1 12 . 1 1 3 3 THR CA C 74 62.046 62.046 62.571 -0.525 18437
3133 1 12 . 1 1 3 3 THR CB C 74 69.779 69.779 71.226 -1.447 18437
3134 1 12 . 1 1 3 3 THR H H 74 8.047 8.047 7.947 0.100 18437
3135 1 12 . 1 1 4 4 VAL N N 75 123.803 123.803 121.164 2.639 18437
3136 1 12 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.816 0.307 18437
3137 1 12 . 1 1 4 4 VAL CA C 75 62.272 62.272 62.869 -0.597 18437
3138 1 12 . 1 1 4 4 VAL CB C 75 32.873 32.873 30.899 1.974 18437
3139 1 12 . 1 1 4 4 VAL H H 75 8.225 8.225 8.033 0.192 18437
3140 1 12 . 1 1 5 5 ILE N N 76 126.050 126.050 121.563 4.487 18437
3141 1 12 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.358 -0.186 18437
3142 1 12 . 1 1 5 5 ILE CA C 76 60.469 60.469 59.301 1.168 18437
3143 1 12 . 1 1 5 5 ILE CB C 76 38.570 38.570 39.371 -0.801 18437
3144 1 12 . 1 1 5 5 ILE H H 76 8.349 8.349 7.664 0.685 18437
3145 1 12 . 1 1 6 6 LEU N N 77 127.505 127.505 128.428 -0.923 18437
3146 1 12 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.367 0.007 18437
3147 1 12 . 1 1 6 6 LEU CA C 77 55.042 55.042 55.435 -0.393 18437
3148 1 12 . 1 1 6 6 LEU CB C 77 42.700 42.700 41.260 1.440 18437
3149 1 12 . 1 1 6 6 LEU H H 77 8.408 8.408 8.532 -0.124 18437
3150 1 12 . 1 1 7 7 ASP N N 78 122.422 122.422 124.699 -2.277 18437
3151 1 12 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.873 -0.064 18437
3152 1 12 . 1 1 7 7 ASP CA C 78 53.746 53.746 54.277 -0.531 18437
3153 1 12 . 1 1 7 7 ASP CB C 78 41.327 41.327 41.670 -0.343 18437
3154 1 12 . 1 1 7 7 ASP H H 78 8.468 8.468 8.726 -0.258 18437
3155 1 12 . 1 1 8 8 THR N N 79 115.682 115.682 111.316 4.366 18437
3156 1 12 . 1 1 8 8 THR HA H 79 4.237 4.237 4.536 -0.299 18437
3157 1 12 . 1 1 8 8 THR CA C 79 62.272 62.272 60.805 1.467 18437
3158 1 12 . 1 1 8 8 THR CB C 79 68.766 68.766 70.595 -1.829 18437
3159 1 12 . 1 1 8 8 THR H H 79 8.447 8.447 7.565 0.882 18437
3160 1 12 . 1 1 9 9 SER N N 80 118.485 118.485 115.920 2.565 18437
3161 1 12 . 1 1 9 9 SER HA H 80 4.349 4.349 4.642 -0.293 18437
3162 1 12 . 1 1 9 9 SER CA C 80 60.346 60.346 58.570 1.776 18437
3163 1 12 . 1 1 9 9 SER CB C 80 63.372 63.372 63.234 0.138 18437
3164 1 12 . 1 1 9 9 SER H H 80 8.521 8.521 8.388 0.133 18437
3165 1 12 . 1 1 10 10 GLU N N 81 121.082 121.082 123.670 -2.588 18437
3166 1 12 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.606 -0.207 18437
3167 1 12 . 1 1 10 10 GLU CA C 81 55.946 55.946 55.879 0.067 18437
3168 1 12 . 1 1 10 10 GLU CB C 81 30.073 30.073 30.076 -0.003 18437
3169 1 12 . 1 1 10 10 GLU H H 81 8.192 8.192 8.608 -0.416 18437
3170 1 12 . 1 1 11 11 LEU N N 82 120.855 120.855 123.088 -2.233 18437
3171 1 12 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.359 0.127 18437
3172 1 12 . 1 1 11 11 LEU CA C 82 54.319 54.319 55.718 -1.399 18437
3173 1 12 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.788 0.514 18437
3174 1 12 . 1 1 11 11 LEU H H 82 7.804 7.804 8.317 -0.513 18437
3175 1 12 . 1 1 12 12 VAL N N 83 119.700 119.700 119.348 0.352 18437
3176 1 12 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.551 -0.122 18437
3177 1 12 . 1 1 12 12 VAL CA C 83 60.069 60.069 60.186 -0.117 18437
3178 1 12 . 1 1 12 12 VAL CB C 83 34.830 34.830 34.843 -0.013 18437
3179 1 12 . 1 1 12 12 VAL H H 83 9.270 9.270 9.023 0.247 18437
3180 1 12 . 1 1 13 13 THR N N 84 118.866 118.866 123.337 -4.471 18437
3181 1 12 . 1 1 13 13 THR HA H 84 4.838 4.838 4.506 0.332 18437
3182 1 12 . 1 1 13 13 THR CA C 84 62.246 62.246 62.690 -0.444 18437
3183 1 12 . 1 1 13 13 THR CB C 84 68.463 68.463 69.192 -0.729 18437
3184 1 12 . 1 1 13 13 THR H H 84 8.380 8.380 8.593 -0.213 18437
3185 1 12 . 1 1 14 14 VAL N N 85 120.684 120.684 127.483 -6.799 18437
3186 1 12 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.257 0.529 18437
3187 1 12 . 1 1 14 14 VAL CA C 85 57.719 57.719 60.976 -3.257 18437
3188 1 12 . 1 1 14 14 VAL CB C 85 35.000 35.000 35.356 -0.356 18437
3189 1 12 . 1 1 14 14 VAL H H 85 8.678 8.678 8.303 0.375 18437
3190 1 12 . 1 1 15 15 VAL N N 86 116.897 116.897 126.361 -9.464 18437
3191 1 12 . 1 1 15 15 VAL HA H 86 4.583 4.583 4.998 -0.415 18437
3192 1 12 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.548 1.998 18437
3193 1 12 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.289 -0.589 18437
3194 1 12 . 1 1 15 15 VAL H H 86 8.926 8.926 8.688 0.238 18437
3195 1 12 . 1 1 16 16 ALA N N 87 127.774 127.774 130.186 -2.412 18437
3196 1 12 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.526 -0.169 18437
3197 1 12 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.254 1.273 18437
3198 1 12 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.730 -0.482 18437
3199 1 12 . 1 1 16 16 ALA H H 87 8.508 8.508 8.523 -0.015 18437
3200 1 12 . 1 1 17 17 LEU N N 88 122.162 122.162 123.326 -1.164 18437
3201 1 12 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.501 0.064 18437
3202 1 12 . 1 1 17 17 LEU CA C 88 55.019 55.019 56.528 -1.509 18437
3203 1 12 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.452 0.248 18437
3204 1 12 . 1 1 17 17 LEU H H 88 9.104 9.104 8.774 0.330 18437
3205 1 12 . 1 1 18 18 VAL N N 89 112.263 112.263 112.243 0.020 18437
3206 1 12 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.474 0.058 18437
3207 1 12 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.696 -1.250 18437
3208 1 12 . 1 1 18 18 VAL CB C 89 36.300 36.300 34.952 1.348 18437
3209 1 12 . 1 1 18 18 VAL H H 89 7.444 7.444 7.554 -0.110 18437
3210 1 12 . 1 1 19 19 LYS N N 90 118.799 118.799 122.198 -3.399 18437
3211 1 12 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.198 0.384 18437
3212 1 12 . 1 1 19 19 LYS CA C 90 56.946 56.946 56.974 -0.028 18437
3213 1 12 . 1 1 19 19 LYS CB C 90 32.573 32.573 31.188 1.385 18437
3214 1 12 . 1 1 19 19 LYS H H 90 8.198 8.198 8.362 -0.164 18437
3215 1 12 . 1 1 20 20 LEU N N 91 124.814 124.814 125.679 -0.865 18437
3216 1 12 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.784 -0.034 18437
3217 1 12 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.638 -0.506 18437
3218 1 12 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.563 -0.163 18437
3219 1 12 . 1 1 20 20 LEU H H 91 8.351 8.351 7.877 0.474 18437
3220 1 12 . 1 1 21 21 HIS N N 92 121.971 121.971 123.677 -1.706 18437
3221 1 12 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.852 0.260 18437
3222 1 12 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.476 0.077 18437
3223 1 12 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.316 -0.089 18437
3224 1 12 . 1 1 21 21 HIS H H 92 8.555 8.555 8.597 -0.042 18437
3225 1 12 . 1 1 22 22 THR N N 93 119.332 119.332 117.501 1.831 18437
3226 1 12 . 1 1 22 22 THR HA H 93 4.492 4.492 4.444 0.048 18437
3227 1 12 . 1 1 22 22 THR CA C 93 59.546 59.546 60.456 -0.910 18437
3228 1 12 . 1 1 22 22 THR CB C 93 69.472 69.472 70.845 -1.373 18437
3229 1 12 . 1 1 22 22 THR H H 93 8.182 8.182 7.957 0.225 18437
3230 1 12 . 1 1 23 23 ASP N N 94 121.861 121.861 128.513 -6.652 18437
3231 1 12 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.082 -0.103 18437
3232 1 12 . 1 1 23 23 ASP CA C 94 53.673 53.673 53.084 0.589 18437
3233 1 12 . 1 1 23 23 ASP CB C 94 41.027 41.027 41.089 -0.062 18437
3234 1 12 . 1 1 23 23 ASP H H 94 8.133 8.133 8.509 -0.376 18437
3235 1 12 . 1 1 24 24 ALA N N 95 125.785 125.785 127.877 -2.092 18437
3236 1 12 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.684 0.469 18437
3237 1 12 . 1 1 24 24 ALA CA C 95 50.916 50.916 50.954 -0.038 18437
3238 1 12 . 1 1 24 24 ALA CB C 95 24.090 24.090 21.845 2.245 18437
3239 1 12 . 1 1 24 24 ALA H H 95 7.992 7.992 8.505 -0.513 18437
3240 1 12 . 1 1 25 25 LEU N N 96 120.726 120.726 124.719 -3.993 18437
3241 1 12 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.544 0.767 18437
3242 1 12 . 1 1 25 25 LEU CA C 96 53.416 53.416 53.203 0.213 18437
3243 1 12 . 1 1 25 25 LEU CB C 96 46.000 46.000 42.568 3.432 18437
3244 1 12 . 1 1 25 25 LEU H H 96 8.661 8.661 8.589 0.072 18437
3245 1 12 . 1 1 26 26 HIS N N 97 121.175 121.175 126.153 -4.978 18437
3246 1 12 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.350 -0.081 18437
3247 1 12 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.875 1.441 18437
3248 1 12 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.912 0.061 18437
3249 1 12 . 1 1 26 26 HIS H H 97 8.725 8.725 8.425 0.300 18437
3250 1 12 . 1 1 27 27 ALA N N 98 126.618 126.618 129.856 -3.238 18437
3251 1 12 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.295 -0.536 18437
3252 1 12 . 1 1 27 27 ALA CA C 98 56.672 56.672 54.122 2.550 18437
3253 1 12 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.296 0.081 18437
3254 1 12 . 1 1 27 27 ALA H H 98 8.260 8.260 8.603 -0.343 18437
3255 1 12 . 1 1 28 28 THR N N 99 107.369 107.369 112.047 -4.678 18437
3256 1 12 . 1 1 28 28 THR HA H 99 4.584 4.584 4.178 0.406 18437
3257 1 12 . 1 1 28 28 THR CA C 99 61.872 61.872 63.865 -1.993 18437
3258 1 12 . 1 1 28 28 THR CB C 99 70.442 70.442 69.053 1.389 18437
3259 1 12 . 1 1 28 28 THR H H 99 10.304 10.304 8.252 2.052 18437
3260 1 12 . 1 1 29 29 ARG N N 100 124.395 124.395 120.289 4.106 18437
3261 1 12 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.491 0.076 18437
3262 1 12 . 1 1 29 29 ARG CA C 100 55.246 55.246 54.799 0.447 18437
3263 1 12 . 1 1 29 29 ARG CB C 100 32.673 32.673 31.463 1.210 18437
3264 1 12 . 1 1 29 29 ARG H H 100 9.037 9.037 7.831 1.206 18437
3265 1 12 . 1 1 30 30 ASP N N 101 124.596 124.596 121.417 3.179 18437
3266 1 12 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.805 -0.072 18437
3267 1 12 . 1 1 30 30 ASP CA C 101 52.916 52.916 54.077 -1.161 18437
3268 1 12 . 1 1 30 30 ASP CB C 101 38.097 38.097 40.672 -2.575 18437
3269 1 12 . 1 1 30 30 ASP H H 101 8.898 8.898 8.452 0.446 18437
3270 1 12 . 1 1 31 31 GLU N N 102 121.916 121.916 121.270 0.646 18437
3271 1 12 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.687 0.231 18437
3272 1 12 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.495 -1.949 18437
3273 1 12 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.909 0.153 18437
3274 1 12 . 1 1 31 31 GLU H H 102 7.876 7.876 8.348 -0.472 18437
3275 1 12 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.485 0.614 18437
3276 1 12 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.456 0.233 18437
3277 1 12 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.667 0.473 18437
3278 1 12 . 1 1 33 33 VAL N N 104 118.661 118.661 119.441 -0.780 18437
3279 1 12 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.173 0.230 18437
3280 1 12 . 1 1 33 33 VAL CA C 104 61.216 61.216 61.235 -0.019 18437
3281 1 12 . 1 1 33 33 VAL CB C 104 35.543 35.543 33.907 1.636 18437
3282 1 12 . 1 1 33 33 VAL H H 104 8.362 8.362 8.209 0.153 18437
3283 1 12 . 1 1 34 34 ALA N N 105 126.902 126.902 128.840 -1.938 18437
3284 1 12 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.602 0.568 18437
3285 1 12 . 1 1 34 34 ALA CA C 105 51.622 51.622 52.083 -0.461 18437
3286 1 12 . 1 1 34 34 ALA CB C 105 21.017 21.017 21.198 -0.180 18437
3287 1 12 . 1 1 34 34 ALA H H 105 8.726 8.726 8.448 0.278 18437
3288 1 12 . 1 1 35 35 PHE N N 106 119.156 119.156 113.503 5.653 18437
3289 1 12 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.468 0.768 18437
3290 1 12 . 1 1 35 35 PHE CA C 106 56.646 56.646 55.270 1.376 18437
3291 1 12 . 1 1 35 35 PHE CB C 106 41.300 41.300 40.090 1.210 18437
3292 1 12 . 1 1 35 35 PHE H H 106 7.597 7.597 6.950 0.647 18437
3293 1 12 . 1 1 36 36 VAL N N 107 120.344 120.344 118.203 2.141 18437
3294 1 12 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.307 -0.088 18437
3295 1 12 . 1 1 36 36 VAL CA C 107 59.546 59.546 59.689 -0.143 18437
3296 1 12 . 1 1 36 36 VAL CB C 107 35.200 35.200 34.165 1.035 18437
3297 1 12 . 1 1 36 36 VAL H H 107 8.267 8.267 8.365 -0.098 18437
3298 1 12 . 1 1 37 37 LEU N N 108 121.820 121.820 120.634 1.186 18437
3299 1 12 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.877 -0.448 18437
3300 1 12 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.932 -0.066 18437
3301 1 12 . 1 1 37 37 LEU CB C 108 41.100 41.100 43.345 -2.245 18437
3302 1 12 . 1 1 37 37 LEU H H 108 7.737 7.737 8.395 -0.658 18437
3303 1 12 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.557 -0.846 18437
3304 1 12 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.509 0.163 18437
3305 1 12 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.418 0.655 18437
3306 1 12 . 1 1 39 39 GLY N N 110 112.032 112.032 112.008 0.024 18437
3307 1 12 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.176 -0.333 18437
3308 1 12 . 1 1 39 39 GLY H H 110 9.026 9.026 8.311 0.715 18437
3309 1 12 . 1 1 40 40 THR N N 111 119.141 119.141 119.555 -0.414 18437
3310 1 12 . 1 1 40 40 THR HA H 111 4.330 4.330 4.513 -0.183 18437
3311 1 12 . 1 1 40 40 THR CA C 111 63.346 63.346 62.724 0.622 18437
3312 1 12 . 1 1 40 40 THR CB C 111 69.512 69.512 70.338 -0.826 18437
3313 1 12 . 1 1 40 40 THR H H 111 8.039 8.039 7.948 0.091 18437
3314 1 12 . 1 1 41 41 ALA N N 112 131.125 131.125 128.978 2.147 18437
3315 1 12 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.560 1.147 18437
3316 1 12 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.108 -0.796 18437
3317 1 12 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.466 0.456 18437
3318 1 12 . 1 1 41 41 ALA H H 112 8.900 8.900 8.614 0.286 18437
3319 1 12 . 1 1 42 42 PHE N N 113 116.476 116.476 121.752 -5.276 18437
3320 1 12 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.875 -0.217 18437
3321 1 12 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.448 1.224 18437
3322 1 12 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.486 -3.092 18437
3323 1 12 . 1 1 42 42 PHE H H 113 9.220 9.220 8.610 0.610 18437
3324 1 12 . 1 1 43 43 ARG N N 114 117.116 117.116 124.575 -7.459 18437
3325 1 12 . 1 1 43 43 ARG HA H 114 5.640 5.640 5.070 0.570 18437
3326 1 12 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.691 -0.621 18437
3327 1 12 . 1 1 43 43 ARG CB C 114 34.900 34.900 30.821 4.079 18437
3328 1 12 . 1 1 43 43 ARG H H 114 9.145 9.145 8.614 0.531 18437
3329 1 12 . 1 1 44 44 VAL N N 115 113.755 113.755 117.799 -4.044 18437
3330 1 12 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.746 0.107 18437
3331 1 12 . 1 1 44 44 VAL CA C 115 58.772 58.772 59.262 -0.490 18437
3332 1 12 . 1 1 44 44 VAL CB C 115 37.500 37.500 35.232 2.268 18437
3333 1 12 . 1 1 44 44 VAL H H 115 8.441 8.441 8.743 -0.302 18437
3334 1 12 . 1 1 45 45 SER N N 116 115.947 115.947 114.649 1.298 18437
3335 1 12 . 1 1 45 45 SER HA H 116 4.530 4.530 4.517 0.013 18437
3336 1 12 . 1 1 45 45 SER CA C 116 58.168 58.168 57.945 0.223 18437
3337 1 12 . 1 1 45 45 SER CB C 116 64.399 64.399 64.259 0.140 18437
3338 1 12 . 1 1 45 45 SER H H 116 8.723 8.723 8.467 0.256 18437
3339 1 12 . 1 1 46 46 ALA N N 117 123.625 123.625 127.730 -4.105 18437
3340 1 12 . 1 1 46 46 ALA HA H 117 3.980 3.980 4.072 -0.092 18437
3341 1 12 . 1 1 46 46 ALA CA C 117 55.772 55.772 54.859 0.913 18437
3342 1 12 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.872 -0.762 18437
3343 1 12 . 1 1 46 46 ALA H H 117 9.143 9.143 9.030 0.113 18437
3344 1 12 . 1 1 47 47 GLY N N 118 106.332 106.332 106.679 -0.347 18437
3345 1 12 . 1 1 47 47 GLY CA C 118 46.900 46.900 46.140 0.760 18437
3346 1 12 . 1 1 47 47 GLY H H 118 8.937 8.937 7.670 1.267 18437
3347 1 12 . 1 1 48 48 VAL N N 119 124.965 124.965 123.374 1.591 18437
3348 1 12 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.678 0.165 18437
3349 1 12 . 1 1 48 48 VAL CA C 119 65.816 65.816 65.446 0.370 18437
3350 1 12 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.691 0.276 18437
3351 1 12 . 1 1 48 48 VAL H H 119 7.376 7.376 7.682 -0.306 18437
3352 1 12 . 1 1 49 49 ALA N N 120 122.605 122.605 121.259 1.346 18437
3353 1 12 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.890 -0.218 18437
3354 1 12 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.373 0.099 18437
3355 1 12 . 1 1 49 49 ALA CB C 120 18.454 18.454 17.874 0.580 18437
3356 1 12 . 1 1 49 49 ALA H H 120 8.805 8.805 8.119 0.686 18437
3357 1 12 . 1 1 50 50 ALA N N 121 119.852 119.852 119.860 -0.008 18437
3358 1 12 . 1 1 50 50 ALA HA H 121 4.088 4.088 4.014 0.074 18437
3359 1 12 . 1 1 50 50 ALA CA C 121 54.946 54.946 54.943 0.003 18437
3360 1 12 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.242 -0.564 18437
3361 1 12 . 1 1 50 50 ALA H H 121 7.976 7.976 7.827 0.149 18437
3362 1 12 . 1 1 51 51 GLU N N 122 118.977 118.977 118.119 0.858 18437
3363 1 12 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.108 0.038 18437
3364 1 12 . 1 1 51 51 GLU CA C 122 59.272 59.272 58.992 0.280 18437
3365 1 12 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.752 -0.052 18437
3366 1 12 . 1 1 51 51 GLU H H 122 7.369 7.369 7.674 -0.305 18437
3367 1 12 . 1 1 52 52 MET N N 123 116.735 116.735 118.083 -1.348 18437
3368 1 12 . 1 1 52 52 MET HA H 123 3.941 3.941 4.207 -0.266 18437
3369 1 12 . 1 1 52 52 MET CA C 123 60.416 60.416 58.400 2.016 18437
3370 1 12 . 1 1 52 52 MET CB C 123 33.973 33.973 32.075 1.898 18437
3371 1 12 . 1 1 52 52 MET H H 123 8.794 8.794 8.388 0.406 18437
3372 1 12 . 1 1 53 53 THR N N 124 112.866 112.866 109.458 3.408 18437
3373 1 12 . 1 1 53 53 THR HA H 124 4.605 4.605 4.243 0.362 18437
3374 1 12 . 1 1 53 53 THR CA C 124 64.742 64.742 64.734 0.008 18437
3375 1 12 . 1 1 53 53 THR CB C 124 68.392 68.392 68.758 -0.366 18437
3376 1 12 . 1 1 53 53 THR H H 124 8.622 8.622 8.292 0.330 18437
3377 1 12 . 1 1 54 54 GLU N N 125 125.722 125.722 120.288 5.434 18437
3378 1 12 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.156 -0.013 18437
3379 1 12 . 1 1 54 54 GLU CA C 125 59.639 59.639 58.079 1.560 18437
3380 1 12 . 1 1 54 54 GLU H H 125 8.054 8.054 7.634 0.420 18437
3381 1 12 . 1 1 55 55 ARG N N 126 114.393 114.393 118.160 -3.767 18437
3382 1 12 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.263 0.110 18437
3383 1 12 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.711 -0.239 18437
3384 1 12 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.581 1.219 18437
3385 1 12 . 1 1 55 55 ARG H H 126 7.703 7.703 7.682 0.021 18437
3386 1 12 . 1 1 56 56 GLY N N 127 107.070 107.070 105.297 1.773 18437
3387 1 12 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.448 0.752 18437
3388 1 12 . 1 1 56 56 GLY H H 127 7.759 7.759 8.180 -0.421 18437
3389 1 12 . 1 1 57 57 LEU N N 128 116.338 116.338 117.980 -1.642 18437
3390 1 12 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.601 -0.230 18437
3391 1 12 . 1 1 57 57 LEU CA C 128 55.572 55.572 54.939 0.633 18437
3392 1 12 . 1 1 57 57 LEU CB C 128 42.427 42.427 43.005 -0.578 18437
3393 1 12 . 1 1 57 57 LEU H H 128 8.293 8.293 7.686 0.607 18437
3394 1 12 . 1 1 58 58 ALA N N 129 116.379 116.379 119.610 -3.231 18437
3395 1 12 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.926 0.204 18437
3396 1 12 . 1 1 58 58 ALA CA C 129 50.142 50.142 50.850 -0.708 18437
3397 1 12 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.253 1.055 18437
3398 1 12 . 1 1 58 58 ALA H H 129 7.351 7.351 7.448 -0.097 18437
3399 1 12 . 1 1 59 59 ARG N N 130 115.969 115.969 120.918 -4.949 18437
3400 1 12 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.829 0.093 18437
3401 1 12 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.316 -1.127 18437
3402 1 12 . 1 1 59 59 ARG CB C 130 33.453 33.453 33.499 -0.046 18437
3403 1 12 . 1 1 59 59 ARG H H 130 8.771 8.771 9.070 -0.299 18437
3404 1 12 . 1 1 60 60 MET N N 131 120.973 120.973 124.986 -4.013 18437
3405 1 12 . 1 1 60 60 MET HA H 131 4.415 4.415 4.214 0.201 18437
3406 1 12 . 1 1 60 60 MET CA C 131 55.677 55.677 57.532 -1.855 18437
3407 1 12 . 1 1 60 60 MET CB C 131 31.527 31.527 32.159 -0.632 18437
3408 1 12 . 1 1 60 60 MET H H 131 8.910 8.910 8.791 0.119 18437
3409 1 13 . 1 1 2 2 ASP N N 73 119.729 119.729 117.279 2.450 18437
3410 1 13 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.637 -0.017 18437
3411 1 13 . 1 1 2 2 ASP CA C 73 54.246 54.246 54.596 -0.350 18437
3412 1 13 . 1 1 2 2 ASP CB C 73 41.077 41.077 41.629 -0.552 18437
3413 1 13 . 1 1 2 2 ASP H H 73 8.508 8.508 8.614 -0.106 18437
3414 1 13 . 1 1 3 3 THR N N 74 114.613 114.613 114.955 -0.342 18437
3415 1 13 . 1 1 3 3 THR HA H 74 4.328 4.328 4.415 -0.087 18437
3416 1 13 . 1 1 3 3 THR CA C 74 62.046 62.046 62.087 -0.042 18437
3417 1 13 . 1 1 3 3 THR CB C 74 69.779 69.779 71.243 -1.464 18437
3418 1 13 . 1 1 3 3 THR H H 74 8.047 8.047 7.902 0.145 18437
3419 1 13 . 1 1 4 4 VAL N N 75 123.803 123.803 121.365 2.438 18437
3420 1 13 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.823 0.300 18437
3421 1 13 . 1 1 4 4 VAL CA C 75 62.272 62.272 63.355 -1.083 18437
3422 1 13 . 1 1 4 4 VAL CB C 75 32.873 32.873 31.094 1.779 18437
3423 1 13 . 1 1 4 4 VAL H H 75 8.225 8.225 8.014 0.211 18437
3424 1 13 . 1 1 5 5 ILE N N 76 126.050 126.050 122.909 3.141 18437
3425 1 13 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.380 -0.208 18437
3426 1 13 . 1 1 5 5 ILE CA C 76 60.469 60.469 60.887 -0.418 18437
3427 1 13 . 1 1 5 5 ILE CB C 76 38.570 38.570 38.882 -0.312 18437
3428 1 13 . 1 1 5 5 ILE H H 76 8.349 8.349 7.686 0.663 18437
3429 1 13 . 1 1 6 6 LEU N N 77 127.505 127.505 129.470 -1.965 18437
3430 1 13 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.670 -0.296 18437
3431 1 13 . 1 1 6 6 LEU CA C 77 55.042 55.042 54.667 0.375 18437
3432 1 13 . 1 1 6 6 LEU CB C 77 42.700 42.700 42.538 0.162 18437
3433 1 13 . 1 1 6 6 LEU H H 77 8.408 8.408 8.398 0.010 18437
3434 1 13 . 1 1 7 7 ASP N N 78 122.422 122.422 124.595 -2.173 18437
3435 1 13 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.859 -0.050 18437
3436 1 13 . 1 1 7 7 ASP CA C 78 53.746 53.746 54.464 -0.718 18437
3437 1 13 . 1 1 7 7 ASP CB C 78 41.327 41.327 42.766 -1.439 18437
3438 1 13 . 1 1 7 7 ASP H H 78 8.468 8.468 8.397 0.071 18437
3439 1 13 . 1 1 8 8 THR N N 79 115.682 115.682 114.648 1.034 18437
3440 1 13 . 1 1 8 8 THR HA H 79 4.237 4.237 4.570 -0.333 18437
3441 1 13 . 1 1 8 8 THR CA C 79 62.272 62.272 61.175 1.097 18437
3442 1 13 . 1 1 8 8 THR CB C 79 68.766 68.766 69.439 -0.673 18437
3443 1 13 . 1 1 8 8 THR H H 79 8.447 8.447 8.097 0.350 18437
3444 1 13 . 1 1 9 9 SER N N 80 118.485 118.485 116.767 1.718 18437
3445 1 13 . 1 1 9 9 SER HA H 80 4.349 4.349 4.103 0.246 18437
3446 1 13 . 1 1 9 9 SER CA C 80 60.346 60.346 59.735 0.611 18437
3447 1 13 . 1 1 9 9 SER CB C 80 63.372 63.372 62.874 0.498 18437
3448 1 13 . 1 1 9 9 SER H H 80 8.521 8.521 8.045 0.476 18437
3449 1 13 . 1 1 10 10 GLU N N 81 121.082 121.082 122.784 -1.702 18437
3450 1 13 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.470 -0.071 18437
3451 1 13 . 1 1 10 10 GLU CA C 81 55.946 55.946 55.926 0.020 18437
3452 1 13 . 1 1 10 10 GLU CB C 81 30.073 30.073 30.740 -0.667 18437
3453 1 13 . 1 1 10 10 GLU H H 81 8.192 8.192 8.428 -0.236 18437
3454 1 13 . 1 1 11 11 LEU N N 82 120.855 120.855 123.450 -2.595 18437
3455 1 13 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.586 -0.100 18437
3456 1 13 . 1 1 11 11 LEU CA C 82 54.319 54.319 55.095 -0.776 18437
3457 1 13 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.275 1.027 18437
3458 1 13 . 1 1 11 11 LEU H H 82 7.804 7.804 8.481 -0.677 18437
3459 1 13 . 1 1 12 12 VAL N N 83 119.700 119.700 118.858 0.842 18437
3460 1 13 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.602 -0.173 18437
3461 1 13 . 1 1 12 12 VAL CA C 83 60.069 60.069 60.080 -0.010 18437
3462 1 13 . 1 1 12 12 VAL CB C 83 34.830 34.830 34.803 0.027 18437
3463 1 13 . 1 1 12 12 VAL H H 83 9.270 9.270 8.956 0.315 18437
3464 1 13 . 1 1 13 13 THR N N 84 118.866 118.866 124.197 -5.331 18437
3465 1 13 . 1 1 13 13 THR HA H 84 4.838 4.838 4.489 0.349 18437
3466 1 13 . 1 1 13 13 THR CA C 84 62.246 62.246 62.989 -0.743 18437
3467 1 13 . 1 1 13 13 THR CB C 84 68.463 68.463 69.169 -0.706 18437
3468 1 13 . 1 1 13 13 THR H H 84 8.380 8.380 8.602 -0.222 18437
3469 1 13 . 1 1 14 14 VAL N N 85 120.684 120.684 127.912 -7.228 18437
3470 1 13 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.355 0.431 18437
3471 1 13 . 1 1 14 14 VAL CA C 85 57.719 57.719 60.230 -2.511 18437
3472 1 13 . 1 1 14 14 VAL CB C 85 35.000 35.000 35.320 -0.320 18437
3473 1 13 . 1 1 14 14 VAL H H 85 8.678 8.678 8.184 0.494 18437
3474 1 13 . 1 1 15 15 VAL N N 86 116.897 116.897 128.504 -11.607 18437
3475 1 13 . 1 1 15 15 VAL HA H 86 4.583 4.583 5.017 -0.434 18437
3476 1 13 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.650 1.896 18437
3477 1 13 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.477 -0.777 18437
3478 1 13 . 1 1 15 15 VAL H H 86 8.926 8.926 8.984 -0.058 18437
3479 1 13 . 1 1 16 16 ALA N N 87 127.774 127.774 130.222 -2.448 18437
3480 1 13 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.482 -0.125 18437
3481 1 13 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.490 1.037 18437
3482 1 13 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.765 -0.517 18437
3483 1 13 . 1 1 16 16 ALA H H 87 8.508 8.508 8.494 0.014 18437
3484 1 13 . 1 1 17 17 LEU N N 88 122.162 122.162 121.462 0.700 18437
3485 1 13 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.655 -0.090 18437
3486 1 13 . 1 1 17 17 LEU CA C 88 55.019 55.019 55.866 -0.847 18437
3487 1 13 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.571 0.129 18437
3488 1 13 . 1 1 17 17 LEU H H 88 9.104 9.104 8.938 0.166 18437
3489 1 13 . 1 1 18 18 VAL N N 89 112.263 112.263 113.606 -1.343 18437
3490 1 13 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.476 0.056 18437
3491 1 13 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.305 -0.859 18437
3492 1 13 . 1 1 18 18 VAL CB C 89 36.300 36.300 35.100 1.200 18437
3493 1 13 . 1 1 18 18 VAL H H 89 7.444 7.444 7.587 -0.143 18437
3494 1 13 . 1 1 19 19 LYS N N 90 118.799 118.799 122.192 -3.393 18437
3495 1 13 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.223 0.359 18437
3496 1 13 . 1 1 19 19 LYS CA C 90 56.946 56.946 57.196 -0.250 18437
3497 1 13 . 1 1 19 19 LYS CB C 90 32.573 32.573 31.016 1.557 18437
3498 1 13 . 1 1 19 19 LYS H H 90 8.198 8.198 8.360 -0.162 18437
3499 1 13 . 1 1 20 20 LEU N N 91 124.814 124.814 125.945 -1.131 18437
3500 1 13 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.792 -0.042 18437
3501 1 13 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.475 -0.343 18437
3502 1 13 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.547 -0.147 18437
3503 1 13 . 1 1 20 20 LEU H H 91 8.351 8.351 7.877 0.474 18437
3504 1 13 . 1 1 21 21 HIS N N 92 121.971 121.971 123.252 -1.281 18437
3505 1 13 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.813 0.299 18437
3506 1 13 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.272 0.281 18437
3507 1 13 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.483 -0.256 18437
3508 1 13 . 1 1 21 21 HIS H H 92 8.555 8.555 8.630 -0.075 18437
3509 1 13 . 1 1 22 22 THR N N 93 119.332 119.332 117.475 1.857 18437
3510 1 13 . 1 1 22 22 THR HA H 93 4.492 4.492 4.462 0.030 18437
3511 1 13 . 1 1 22 22 THR CA C 93 59.546 59.546 60.561 -1.015 18437
3512 1 13 . 1 1 22 22 THR CB C 93 69.472 69.472 70.629 -1.157 18437
3513 1 13 . 1 1 22 22 THR H H 93 8.182 8.182 7.964 0.218 18437
3514 1 13 . 1 1 23 23 ASP N N 94 121.861 121.861 126.794 -4.933 18437
3515 1 13 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.244 -0.265 18437
3516 1 13 . 1 1 23 23 ASP CA C 94 53.673 53.673 53.443 0.230 18437
3517 1 13 . 1 1 23 23 ASP CB C 94 41.027 41.027 41.128 -0.101 18437
3518 1 13 . 1 1 23 23 ASP H H 94 8.133 8.133 8.501 -0.368 18437
3519 1 13 . 1 1 24 24 ALA N N 95 125.785 125.785 126.626 -0.841 18437
3520 1 13 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.686 0.467 18437
3521 1 13 . 1 1 24 24 ALA CA C 95 50.916 50.916 51.051 -0.135 18437
3522 1 13 . 1 1 24 24 ALA CB C 95 24.090 24.090 21.368 2.722 18437
3523 1 13 . 1 1 24 24 ALA H H 95 7.992 7.992 7.849 0.143 18437
3524 1 13 . 1 1 25 25 LEU N N 96 120.726 120.726 124.735 -4.009 18437
3525 1 13 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.444 0.867 18437
3526 1 13 . 1 1 25 25 LEU CA C 96 53.416 53.416 54.187 -0.771 18437
3527 1 13 . 1 1 25 25 LEU CB C 96 46.000 46.000 44.092 1.908 18437
3528 1 13 . 1 1 25 25 LEU H H 96 8.661 8.661 8.408 0.253 18437
3529 1 13 . 1 1 26 26 HIS N N 97 121.175 121.175 123.451 -2.276 18437
3530 1 13 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.490 -0.221 18437
3531 1 13 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.291 2.025 18437
3532 1 13 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.960 0.013 18437
3533 1 13 . 1 1 26 26 HIS H H 97 8.725 8.725 8.006 0.719 18437
3534 1 13 . 1 1 27 27 ALA N N 98 126.618 126.618 129.478 -2.860 18437
3535 1 13 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.366 -0.607 18437
3536 1 13 . 1 1 27 27 ALA CA C 98 56.672 56.672 53.754 2.918 18437
3537 1 13 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.248 0.129 18437
3538 1 13 . 1 1 27 27 ALA H H 98 8.260 8.260 8.773 -0.513 18437
3539 1 13 . 1 1 28 28 THR N N 99 107.369 107.369 112.949 -5.580 18437
3540 1 13 . 1 1 28 28 THR HA H 99 4.584 4.584 4.180 0.404 18437
3541 1 13 . 1 1 28 28 THR CA C 99 61.872 61.872 63.354 -1.482 18437
3542 1 13 . 1 1 28 28 THR CB C 99 70.442 70.442 69.270 1.171 18437
3543 1 13 . 1 1 28 28 THR H H 99 10.304 10.304 8.272 2.032 18437
3544 1 13 . 1 1 29 29 ARG N N 100 124.395 124.395 121.108 3.287 18437
3545 1 13 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.447 0.120 18437
3546 1 13 . 1 1 29 29 ARG CA C 100 55.246 55.246 55.139 0.107 18437
3547 1 13 . 1 1 29 29 ARG CB C 100 32.673 32.673 31.138 1.535 18437
3548 1 13 . 1 1 29 29 ARG H H 100 9.037 9.037 7.672 1.365 18437
3549 1 13 . 1 1 30 30 ASP N N 101 124.596 124.596 119.955 4.641 18437
3550 1 13 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.781 -0.048 18437
3551 1 13 . 1 1 30 30 ASP CA C 101 52.916 52.916 53.868 -0.952 18437
3552 1 13 . 1 1 30 30 ASP CB C 101 38.097 38.097 40.668 -2.571 18437
3553 1 13 . 1 1 30 30 ASP H H 101 8.898 8.898 8.525 0.373 18437
3554 1 13 . 1 1 31 31 GLU N N 102 121.916 121.916 122.057 -0.141 18437
3555 1 13 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.632 0.286 18437
3556 1 13 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.309 -1.763 18437
3557 1 13 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.258 0.804 18437
3558 1 13 . 1 1 31 31 GLU H H 102 7.876 7.876 8.312 -0.436 18437
3559 1 13 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.447 0.652 18437
3560 1 13 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.428 0.261 18437
3561 1 13 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.633 0.507 18437
3562 1 13 . 1 1 33 33 VAL N N 104 118.661 118.661 116.313 2.348 18437
3563 1 13 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.123 0.280 18437
3564 1 13 . 1 1 33 33 VAL CA C 104 61.216 61.216 62.144 -0.928 18437
3565 1 13 . 1 1 33 33 VAL CB C 104 35.543 35.543 34.738 0.805 18437
3566 1 13 . 1 1 33 33 VAL H H 104 8.362 8.362 8.136 0.226 18437
3567 1 13 . 1 1 34 34 ALA N N 105 126.902 126.902 128.749 -1.847 18437
3568 1 13 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.848 0.322 18437
3569 1 13 . 1 1 34 34 ALA CA C 105 51.622 51.622 51.852 -0.230 18437
3570 1 13 . 1 1 34 34 ALA CB C 105 21.017 21.017 20.859 0.158 18437
3571 1 13 . 1 1 34 34 ALA H H 105 8.726 8.726 8.396 0.330 18437
3572 1 13 . 1 1 35 35 PHE N N 106 119.156 119.156 114.367 4.789 18437
3573 1 13 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.456 0.780 18437
3574 1 13 . 1 1 35 35 PHE CA C 106 56.646 56.646 55.879 0.767 18437
3575 1 13 . 1 1 35 35 PHE CB C 106 41.300 41.300 40.657 0.643 18437
3576 1 13 . 1 1 35 35 PHE H H 106 7.597 7.597 7.048 0.549 18437
3577 1 13 . 1 1 36 36 VAL N N 107 120.344 120.344 118.762 1.582 18437
3578 1 13 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.292 -0.073 18437
3579 1 13 . 1 1 36 36 VAL CA C 107 59.546 59.546 59.029 0.517 18437
3580 1 13 . 1 1 36 36 VAL CB C 107 35.200 35.200 33.932 1.268 18437
3581 1 13 . 1 1 36 36 VAL H H 107 8.267 8.267 8.451 -0.184 18437
3582 1 13 . 1 1 37 37 LEU N N 108 121.820 121.820 121.111 0.709 18437
3583 1 13 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.874 -0.445 18437
3584 1 13 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.423 0.443 18437
3585 1 13 . 1 1 37 37 LEU CB C 108 41.100 41.100 42.926 -1.826 18437
3586 1 13 . 1 1 37 37 LEU H H 108 7.737 7.737 8.355 -0.618 18437
3587 1 13 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.520 -0.809 18437
3588 1 13 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.538 0.134 18437
3589 1 13 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.318 0.755 18437
3590 1 13 . 1 1 39 39 GLY N N 110 112.032 112.032 112.021 0.011 18437
3591 1 13 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.297 -0.454 18437
3592 1 13 . 1 1 39 39 GLY H H 110 9.026 9.026 8.394 0.632 18437
3593 1 13 . 1 1 40 40 THR N N 111 119.141 119.141 119.801 -0.660 18437
3594 1 13 . 1 1 40 40 THR HA H 111 4.330 4.330 4.457 -0.127 18437
3595 1 13 . 1 1 40 40 THR CA C 111 63.346 63.346 62.139 1.207 18437
3596 1 13 . 1 1 40 40 THR CB C 111 69.512 69.512 70.064 -0.552 18437
3597 1 13 . 1 1 40 40 THR H H 111 8.039 8.039 7.866 0.173 18437
3598 1 13 . 1 1 41 41 ALA N N 112 131.125 131.125 129.582 1.543 18437
3599 1 13 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.572 1.135 18437
3600 1 13 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.269 -0.957 18437
3601 1 13 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.542 0.380 18437
3602 1 13 . 1 1 41 41 ALA H H 112 8.900 8.900 8.575 0.325 18437
3603 1 13 . 1 1 42 42 PHE N N 113 116.476 116.476 121.608 -5.132 18437
3604 1 13 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.870 -0.212 18437
3605 1 13 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.427 1.245 18437
3606 1 13 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.587 -3.194 18437
3607 1 13 . 1 1 42 42 PHE H H 113 9.220 9.220 8.613 0.607 18437
3608 1 13 . 1 1 43 43 ARG N N 114 117.116 117.116 124.034 -6.918 18437
3609 1 13 . 1 1 43 43 ARG HA H 114 5.640 5.640 5.064 0.576 18437
3610 1 13 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.895 -0.825 18437
3611 1 13 . 1 1 43 43 ARG CB C 114 34.900 34.900 30.984 3.916 18437
3612 1 13 . 1 1 43 43 ARG H H 114 9.145 9.145 8.574 0.571 18437
3613 1 13 . 1 1 44 44 VAL N N 115 113.755 113.755 117.557 -3.802 18437
3614 1 13 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.633 0.220 18437
3615 1 13 . 1 1 44 44 VAL CA C 115 58.772 58.772 58.487 0.284 18437
3616 1 13 . 1 1 44 44 VAL CB C 115 37.500 37.500 34.817 2.683 18437
3617 1 13 . 1 1 44 44 VAL H H 115 8.441 8.441 8.805 -0.364 18437
3618 1 13 . 1 1 45 45 SER N N 116 115.947 115.947 115.568 0.379 18437
3619 1 13 . 1 1 45 45 SER HA H 116 4.530 4.530 4.540 -0.010 18437
3620 1 13 . 1 1 45 45 SER CA C 116 58.168 58.168 58.571 -0.403 18437
3621 1 13 . 1 1 45 45 SER CB C 116 64.399 64.399 63.482 0.917 18437
3622 1 13 . 1 1 45 45 SER H H 116 8.723 8.723 8.470 0.253 18437
3623 1 13 . 1 1 46 46 ALA N N 117 123.625 123.625 126.648 -3.023 18437
3624 1 13 . 1 1 46 46 ALA HA H 117 3.980 3.980 3.942 0.038 18437
3625 1 13 . 1 1 46 46 ALA CA C 117 55.772 55.772 55.441 0.331 18437
3626 1 13 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.585 -0.475 18437
3627 1 13 . 1 1 46 46 ALA H H 117 9.143 9.143 8.824 0.319 18437
3628 1 13 . 1 1 47 47 GLY N N 118 106.332 106.332 104.744 1.588 18437
3629 1 13 . 1 1 47 47 GLY CA C 118 46.900 46.900 46.032 0.868 18437
3630 1 13 . 1 1 47 47 GLY H H 118 8.937 8.937 8.408 0.529 18437
3631 1 13 . 1 1 48 48 VAL N N 119 124.965 124.965 123.420 1.545 18437
3632 1 13 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.787 0.056 18437
3633 1 13 . 1 1 48 48 VAL CA C 119 65.816 65.816 64.519 1.297 18437
3634 1 13 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.505 0.462 18437
3635 1 13 . 1 1 48 48 VAL H H 119 7.376 7.376 7.417 -0.041 18437
3636 1 13 . 1 1 49 49 ALA N N 120 122.605 122.605 121.649 0.956 18437
3637 1 13 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.916 -0.244 18437
3638 1 13 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.333 0.139 18437
3639 1 13 . 1 1 49 49 ALA CB C 120 18.454 18.454 17.848 0.606 18437
3640 1 13 . 1 1 49 49 ALA H H 120 8.805 8.805 8.398 0.407 18437
3641 1 13 . 1 1 50 50 ALA N N 121 119.852 119.852 120.303 -0.451 18437
3642 1 13 . 1 1 50 50 ALA HA H 121 4.088 4.088 4.011 0.077 18437
3643 1 13 . 1 1 50 50 ALA CA C 121 54.946 54.946 54.923 0.023 18437
3644 1 13 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.292 -0.614 18437
3645 1 13 . 1 1 50 50 ALA H H 121 7.976 7.976 7.887 0.089 18437
3646 1 13 . 1 1 51 51 GLU N N 122 118.977 118.977 118.553 0.424 18437
3647 1 13 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.186 -0.040 18437
3648 1 13 . 1 1 51 51 GLU CA C 122 59.272 59.272 58.706 0.566 18437
3649 1 13 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.417 0.283 18437
3650 1 13 . 1 1 51 51 GLU H H 122 7.369 7.369 7.698 -0.329 18437
3651 1 13 . 1 1 52 52 MET N N 123 116.735 116.735 117.547 -0.812 18437
3652 1 13 . 1 1 52 52 MET HA H 123 3.941 3.941 4.193 -0.252 18437
3653 1 13 . 1 1 52 52 MET CA C 123 60.416 60.416 58.095 2.321 18437
3654 1 13 . 1 1 52 52 MET CB C 123 33.973 33.973 31.792 2.181 18437
3655 1 13 . 1 1 52 52 MET H H 123 8.794 8.794 8.078 0.716 18437
3656 1 13 . 1 1 53 53 THR N N 124 112.866 112.866 110.045 2.821 18437
3657 1 13 . 1 1 53 53 THR HA H 124 4.605 4.605 4.286 0.319 18437
3658 1 13 . 1 1 53 53 THR CA C 124 64.742 64.742 64.852 -0.110 18437
3659 1 13 . 1 1 53 53 THR CB C 124 68.392 68.392 68.940 -0.548 18437
3660 1 13 . 1 1 53 53 THR H H 124 8.622 8.622 8.247 0.375 18437
3661 1 13 . 1 1 54 54 GLU N N 125 125.722 125.722 120.131 5.591 18437
3662 1 13 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.169 -0.026 18437
3663 1 13 . 1 1 54 54 GLU CA C 125 59.639 59.639 58.155 1.484 18437
3664 1 13 . 1 1 54 54 GLU H H 125 8.054 8.054 7.543 0.511 18437
3665 1 13 . 1 1 55 55 ARG N N 126 114.393 114.393 117.049 -2.656 18437
3666 1 13 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.275 0.098 18437
3667 1 13 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.552 -0.080 18437
3668 1 13 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.621 1.179 18437
3669 1 13 . 1 1 55 55 ARG H H 126 7.703 7.703 7.954 -0.251 18437
3670 1 13 . 1 1 56 56 GLY N N 127 107.070 107.070 106.519 0.551 18437
3671 1 13 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.770 0.430 18437
3672 1 13 . 1 1 56 56 GLY H H 127 7.759 7.759 7.724 0.035 18437
3673 1 13 . 1 1 57 57 LEU N N 128 116.338 116.338 117.696 -1.358 18437
3674 1 13 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.631 -0.260 18437
3675 1 13 . 1 1 57 57 LEU CA C 128 55.572 55.572 54.853 0.719 18437
3676 1 13 . 1 1 57 57 LEU CB C 128 42.427 42.427 43.123 -0.696 18437
3677 1 13 . 1 1 57 57 LEU H H 128 8.293 8.293 7.614 0.679 18437
3678 1 13 . 1 1 58 58 ALA N N 129 116.379 116.379 119.513 -3.134 18437
3679 1 13 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.881 0.249 18437
3680 1 13 . 1 1 58 58 ALA CA C 129 50.142 50.142 50.878 -0.736 18437
3681 1 13 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.268 1.040 18437
3682 1 13 . 1 1 58 58 ALA H H 129 7.351 7.351 7.393 -0.042 18437
3683 1 13 . 1 1 59 59 ARG N N 130 115.969 115.969 120.329 -4.360 18437
3684 1 13 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.841 0.081 18437
3685 1 13 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.817 -1.628 18437
3686 1 13 . 1 1 59 59 ARG CB C 130 33.453 33.453 34.379 -0.926 18437
3687 1 13 . 1 1 59 59 ARG H H 130 8.771 8.771 8.863 -0.092 18437
3688 1 13 . 1 1 60 60 MET N N 131 120.973 120.973 123.135 -2.162 18437
3689 1 13 . 1 1 60 60 MET HA H 131 4.415 4.415 4.403 0.012 18437
3690 1 13 . 1 1 60 60 MET CA C 131 55.677 55.677 56.906 -1.229 18437
3691 1 13 . 1 1 60 60 MET CB C 131 31.527 31.527 32.652 -1.125 18437
3692 1 13 . 1 1 60 60 MET H H 131 8.910 8.910 8.669 0.241 18437
3693 1 14 . 1 1 2 2 ASP N N 73 119.729 119.729 119.774 -0.045 18437
3694 1 14 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.614 0.006 18437
3695 1 14 . 1 1 2 2 ASP CA C 73 54.246 54.246 54.889 -0.643 18437
3696 1 14 . 1 1 2 2 ASP CB C 73 41.077 41.077 40.307 0.770 18437
3697 1 14 . 1 1 2 2 ASP H H 73 8.508 8.508 8.222 0.286 18437
3698 1 14 . 1 1 3 3 THR N N 74 114.613 114.613 116.746 -2.133 18437
3699 1 14 . 1 1 3 3 THR HA H 74 4.328 4.328 4.343 -0.015 18437
3700 1 14 . 1 1 3 3 THR CA C 74 62.046 62.046 63.255 -1.209 18437
3701 1 14 . 1 1 3 3 THR CB C 74 69.779 69.779 69.492 0.287 18437
3702 1 14 . 1 1 3 3 THR H H 74 8.047 8.047 8.086 -0.039 18437
3703 1 14 . 1 1 4 4 VAL N N 75 123.803 123.803 120.025 3.778 18437
3704 1 14 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.841 0.282 18437
3705 1 14 . 1 1 4 4 VAL CA C 75 62.272 62.272 62.387 -0.115 18437
3706 1 14 . 1 1 4 4 VAL CB C 75 32.873 32.873 30.914 1.959 18437
3707 1 14 . 1 1 4 4 VAL H H 75 8.225 8.225 8.071 0.154 18437
3708 1 14 . 1 1 5 5 ILE N N 76 126.050 126.050 121.030 5.020 18437
3709 1 14 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.344 -0.172 18437
3710 1 14 . 1 1 5 5 ILE CA C 76 60.469 60.469 59.302 1.167 18437
3711 1 14 . 1 1 5 5 ILE CB C 76 38.570 38.570 37.790 0.780 18437
3712 1 14 . 1 1 5 5 ILE H H 76 8.349 8.349 7.729 0.620 18437
3713 1 14 . 1 1 6 6 LEU N N 77 127.505 127.505 128.737 -1.232 18437
3714 1 14 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.383 -0.009 18437
3715 1 14 . 1 1 6 6 LEU CA C 77 55.042 55.042 54.912 0.130 18437
3716 1 14 . 1 1 6 6 LEU CB C 77 42.700 42.700 42.383 0.317 18437
3717 1 14 . 1 1 6 6 LEU H H 77 8.408 8.408 8.509 -0.101 18437
3718 1 14 . 1 1 7 7 ASP N N 78 122.422 122.422 124.424 -2.002 18437
3719 1 14 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.986 -0.177 18437
3720 1 14 . 1 1 7 7 ASP CA C 78 53.746 53.746 53.977 -0.231 18437
3721 1 14 . 1 1 7 7 ASP CB C 78 41.327 41.327 43.335 -2.008 18437
3722 1 14 . 1 1 7 7 ASP H H 78 8.468 8.468 8.511 -0.043 18437
3723 1 14 . 1 1 8 8 THR N N 79 115.682 115.682 112.380 3.302 18437
3724 1 14 . 1 1 8 8 THR HA H 79 4.237 4.237 4.652 -0.415 18437
3725 1 14 . 1 1 8 8 THR CA C 79 62.272 62.272 61.821 0.451 18437
3726 1 14 . 1 1 8 8 THR CB C 79 68.766 68.766 69.200 -0.434 18437
3727 1 14 . 1 1 8 8 THR H H 79 8.447 8.447 8.299 0.148 18437
3728 1 14 . 1 1 9 9 SER N N 80 118.485 118.485 116.547 1.938 18437
3729 1 14 . 1 1 9 9 SER HA H 80 4.349 4.349 4.636 -0.287 18437
3730 1 14 . 1 1 9 9 SER CA C 80 60.346 60.346 57.999 2.347 18437
3731 1 14 . 1 1 9 9 SER CB C 80 63.372 63.372 64.121 -0.749 18437
3732 1 14 . 1 1 9 9 SER H H 80 8.521 8.521 7.845 0.676 18437
3733 1 14 . 1 1 10 10 GLU N N 81 121.082 121.082 122.296 -1.214 18437
3734 1 14 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.494 -0.095 18437
3735 1 14 . 1 1 10 10 GLU CA C 81 55.946 55.946 56.535 -0.589 18437
3736 1 14 . 1 1 10 10 GLU CB C 81 30.073 30.073 30.915 -0.842 18437
3737 1 14 . 1 1 10 10 GLU H H 81 8.192 8.192 8.555 -0.363 18437
3738 1 14 . 1 1 11 11 LEU N N 82 120.855 120.855 122.069 -1.214 18437
3739 1 14 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.439 0.047 18437
3740 1 14 . 1 1 11 11 LEU CA C 82 54.319 54.319 55.342 -1.022 18437
3741 1 14 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.642 0.660 18437
3742 1 14 . 1 1 11 11 LEU H H 82 7.804 7.804 8.136 -0.332 18437
3743 1 14 . 1 1 12 12 VAL N N 83 119.700 119.700 120.235 -0.535 18437
3744 1 14 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.563 -0.134 18437
3745 1 14 . 1 1 12 12 VAL CA C 83 60.069 60.069 60.135 -0.066 18437
3746 1 14 . 1 1 12 12 VAL CB C 83 34.830 34.830 35.683 -0.853 18437
3747 1 14 . 1 1 12 12 VAL H H 83 9.270 9.270 8.979 0.291 18437
3748 1 14 . 1 1 13 13 THR N N 84 118.866 118.866 121.935 -3.069 18437
3749 1 14 . 1 1 13 13 THR HA H 84 4.838 4.838 4.321 0.517 18437
3750 1 14 . 1 1 13 13 THR CA C 84 62.246 62.246 62.762 -0.516 18437
3751 1 14 . 1 1 13 13 THR CB C 84 68.463 68.463 68.626 -0.163 18437
3752 1 14 . 1 1 13 13 THR H H 84 8.380 8.380 8.610 -0.230 18437
3753 1 14 . 1 1 14 14 VAL N N 85 120.684 120.684 128.118 -7.434 18437
3754 1 14 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.266 0.520 18437
3755 1 14 . 1 1 14 14 VAL CA C 85 57.719 57.719 60.556 -2.837 18437
3756 1 14 . 1 1 14 14 VAL CB C 85 35.000 35.000 35.689 -0.689 18437
3757 1 14 . 1 1 14 14 VAL H H 85 8.678 8.678 8.495 0.183 18437
3758 1 14 . 1 1 15 15 VAL N N 86 116.897 116.897 128.391 -11.494 18437
3759 1 14 . 1 1 15 15 VAL HA H 86 4.583 4.583 5.112 -0.529 18437
3760 1 14 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.492 2.054 18437
3761 1 14 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.509 -0.809 18437
3762 1 14 . 1 1 15 15 VAL H H 86 8.926 8.926 9.007 -0.081 18437
3763 1 14 . 1 1 16 16 ALA N N 87 127.774 127.774 130.240 -2.466 18437
3764 1 14 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.495 -0.138 18437
3765 1 14 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.391 1.136 18437
3766 1 14 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.809 -0.561 18437
3767 1 14 . 1 1 16 16 ALA H H 87 8.508 8.508 8.516 -0.008 18437
3768 1 14 . 1 1 17 17 LEU N N 88 122.162 122.162 121.555 0.607 18437
3769 1 14 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.624 -0.059 18437
3770 1 14 . 1 1 17 17 LEU CA C 88 55.019 55.019 55.898 -0.879 18437
3771 1 14 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.595 0.105 18437
3772 1 14 . 1 1 17 17 LEU H H 88 9.104 9.104 8.962 0.142 18437
3773 1 14 . 1 1 18 18 VAL N N 89 112.263 112.263 112.741 -0.478 18437
3774 1 14 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.483 0.049 18437
3775 1 14 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.596 -1.150 18437
3776 1 14 . 1 1 18 18 VAL CB C 89 36.300 36.300 35.121 1.179 18437
3777 1 14 . 1 1 18 18 VAL H H 89 7.444 7.444 7.579 -0.135 18437
3778 1 14 . 1 1 19 19 LYS N N 90 118.799 118.799 122.726 -3.927 18437
3779 1 14 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.196 0.386 18437
3780 1 14 . 1 1 19 19 LYS CA C 90 56.946 56.946 57.209 -0.263 18437
3781 1 14 . 1 1 19 19 LYS CB C 90 32.573 32.573 31.110 1.464 18437
3782 1 14 . 1 1 19 19 LYS H H 90 8.198 8.198 8.392 -0.194 18437
3783 1 14 . 1 1 20 20 LEU N N 91 124.814 124.814 125.981 -1.167 18437
3784 1 14 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.784 -0.034 18437
3785 1 14 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.518 -0.386 18437
3786 1 14 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.524 -0.124 18437
3787 1 14 . 1 1 20 20 LEU H H 91 8.351 8.351 7.874 0.477 18437
3788 1 14 . 1 1 21 21 HIS N N 92 121.971 121.971 123.268 -1.297 18437
3789 1 14 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.851 0.261 18437
3790 1 14 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.315 0.238 18437
3791 1 14 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.152 0.075 18437
3792 1 14 . 1 1 21 21 HIS H H 92 8.555 8.555 8.631 -0.076 18437
3793 1 14 . 1 1 22 22 THR N N 93 119.332 119.332 117.370 1.962 18437
3794 1 14 . 1 1 22 22 THR HA H 93 4.492 4.492 4.474 0.018 18437
3795 1 14 . 1 1 22 22 THR CA C 93 59.546 59.546 60.490 -0.944 18437
3796 1 14 . 1 1 22 22 THR CB C 93 69.472 69.472 70.356 -0.884 18437
3797 1 14 . 1 1 22 22 THR H H 93 8.182 8.182 7.982 0.200 18437
3798 1 14 . 1 1 23 23 ASP N N 94 121.861 121.861 128.336 -6.475 18437
3799 1 14 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.126 -0.147 18437
3800 1 14 . 1 1 23 23 ASP CA C 94 53.673 53.673 52.956 0.717 18437
3801 1 14 . 1 1 23 23 ASP CB C 94 41.027 41.027 40.898 0.129 18437
3802 1 14 . 1 1 23 23 ASP H H 94 8.133 8.133 8.540 -0.407 18437
3803 1 14 . 1 1 24 24 ALA N N 95 125.785 125.785 128.194 -2.409 18437
3804 1 14 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.694 0.459 18437
3805 1 14 . 1 1 24 24 ALA CA C 95 50.916 50.916 51.005 -0.089 18437
3806 1 14 . 1 1 24 24 ALA CB C 95 24.090 24.090 21.912 2.178 18437
3807 1 14 . 1 1 24 24 ALA H H 95 7.992 7.992 8.612 -0.620 18437
3808 1 14 . 1 1 25 25 LEU N N 96 120.726 120.726 125.422 -4.696 18437
3809 1 14 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.478 0.833 18437
3810 1 14 . 1 1 25 25 LEU CA C 96 53.416 53.416 53.855 -0.438 18437
3811 1 14 . 1 1 25 25 LEU CB C 96 46.000 46.000 42.508 3.492 18437
3812 1 14 . 1 1 25 25 LEU H H 96 8.661 8.661 8.604 0.057 18437
3813 1 14 . 1 1 26 26 HIS N N 97 121.175 121.175 125.411 -4.236 18437
3814 1 14 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.376 -0.107 18437
3815 1 14 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.840 1.476 18437
3816 1 14 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.855 0.118 18437
3817 1 14 . 1 1 26 26 HIS H H 97 8.725 8.725 8.108 0.617 18437
3818 1 14 . 1 1 27 27 ALA N N 98 126.618 126.618 129.908 -3.290 18437
3819 1 14 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.336 -0.577 18437
3820 1 14 . 1 1 27 27 ALA CA C 98 56.672 56.672 54.015 2.657 18437
3821 1 14 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.254 0.123 18437
3822 1 14 . 1 1 27 27 ALA H H 98 8.260 8.260 8.600 -0.340 18437
3823 1 14 . 1 1 28 28 THR N N 99 107.369 107.369 112.046 -4.677 18437
3824 1 14 . 1 1 28 28 THR HA H 99 4.584 4.584 4.146 0.438 18437
3825 1 14 . 1 1 28 28 THR CA C 99 61.872 61.872 63.450 -1.578 18437
3826 1 14 . 1 1 28 28 THR CB C 99 70.442 70.442 69.246 1.196 18437
3827 1 14 . 1 1 28 28 THR H H 99 10.304 10.304 8.145 2.159 18437
3828 1 14 . 1 1 29 29 ARG N N 100 124.395 124.395 119.688 4.707 18437
3829 1 14 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.468 0.099 18437
3830 1 14 . 1 1 29 29 ARG CA C 100 55.246 55.246 54.607 0.639 18437
3831 1 14 . 1 1 29 29 ARG CB C 100 32.673 32.673 31.364 1.309 18437
3832 1 14 . 1 1 29 29 ARG H H 100 9.037 9.037 7.779 1.258 18437
3833 1 14 . 1 1 30 30 ASP N N 101 124.596 124.596 121.449 3.147 18437
3834 1 14 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.840 -0.107 18437
3835 1 14 . 1 1 30 30 ASP CA C 101 52.916 52.916 54.070 -1.154 18437
3836 1 14 . 1 1 30 30 ASP CB C 101 38.097 38.097 40.501 -2.404 18437
3837 1 14 . 1 1 30 30 ASP H H 101 8.898 8.898 8.448 0.450 18437
3838 1 14 . 1 1 31 31 GLU N N 102 121.916 121.916 121.141 0.775 18437
3839 1 14 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.673 0.245 18437
3840 1 14 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.576 -2.030 18437
3841 1 14 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.890 0.172 18437
3842 1 14 . 1 1 31 31 GLU H H 102 7.876 7.876 8.313 -0.437 18437
3843 1 14 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.439 0.660 18437
3844 1 14 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.420 0.269 18437
3845 1 14 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.682 0.458 18437
3846 1 14 . 1 1 33 33 VAL N N 104 118.661 118.661 120.380 -1.719 18437
3847 1 14 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.171 0.232 18437
3848 1 14 . 1 1 33 33 VAL CA C 104 61.216 61.216 61.148 0.068 18437
3849 1 14 . 1 1 33 33 VAL CB C 104 35.543 35.543 32.740 2.803 18437
3850 1 14 . 1 1 33 33 VAL H H 104 8.362 8.362 8.230 0.132 18437
3851 1 14 . 1 1 34 34 ALA N N 105 126.902 126.902 128.876 -1.974 18437
3852 1 14 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.542 0.628 18437
3853 1 14 . 1 1 34 34 ALA CA C 105 51.622 51.622 52.316 -0.694 18437
3854 1 14 . 1 1 34 34 ALA CB C 105 21.017 21.017 21.174 -0.157 18437
3855 1 14 . 1 1 34 34 ALA H H 105 8.726 8.726 8.407 0.319 18437
3856 1 14 . 1 1 35 35 PHE N N 106 119.156 119.156 113.067 6.089 18437
3857 1 14 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.423 0.813 18437
3858 1 14 . 1 1 35 35 PHE CA C 106 56.646 56.646 55.144 1.502 18437
3859 1 14 . 1 1 35 35 PHE CB C 106 41.300 41.300 40.447 0.853 18437
3860 1 14 . 1 1 35 35 PHE H H 106 7.597 7.597 6.900 0.697 18437
3861 1 14 . 1 1 36 36 VAL N N 107 120.344 120.344 118.367 1.977 18437
3862 1 14 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.303 -0.084 18437
3863 1 14 . 1 1 36 36 VAL CA C 107 59.546 59.546 59.799 -0.253 18437
3864 1 14 . 1 1 36 36 VAL CB C 107 35.200 35.200 33.972 1.228 18437
3865 1 14 . 1 1 36 36 VAL H H 107 8.267 8.267 8.500 -0.233 18437
3866 1 14 . 1 1 37 37 LEU N N 108 121.820 121.820 121.029 0.791 18437
3867 1 14 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.900 -0.471 18437
3868 1 14 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.858 0.008 18437
3869 1 14 . 1 1 37 37 LEU CB C 108 41.100 41.100 43.355 -2.255 18437
3870 1 14 . 1 1 37 37 LEU H H 108 7.737 7.737 8.431 -0.694 18437
3871 1 14 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.506 -0.795 18437
3872 1 14 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.541 0.131 18437
3873 1 14 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.349 0.724 18437
3874 1 14 . 1 1 39 39 GLY N N 110 112.032 112.032 111.920 0.112 18437
3875 1 14 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.230 -0.387 18437
3876 1 14 . 1 1 39 39 GLY H H 110 9.026 9.026 8.338 0.688 18437
3877 1 14 . 1 1 40 40 THR N N 111 119.141 119.141 119.442 -0.301 18437
3878 1 14 . 1 1 40 40 THR HA H 111 4.330 4.330 4.498 -0.168 18437
3879 1 14 . 1 1 40 40 THR CA C 111 63.346 63.346 62.750 0.596 18437
3880 1 14 . 1 1 40 40 THR CB C 111 69.512 69.512 70.192 -0.680 18437
3881 1 14 . 1 1 40 40 THR H H 111 8.039 8.039 7.955 0.084 18437
3882 1 14 . 1 1 41 41 ALA N N 112 131.125 131.125 129.301 1.824 18437
3883 1 14 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.563 1.144 18437
3884 1 14 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.193 -0.881 18437
3885 1 14 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.595 0.327 18437
3886 1 14 . 1 1 41 41 ALA H H 112 8.900 8.900 8.595 0.305 18437
3887 1 14 . 1 1 42 42 PHE N N 113 116.476 116.476 121.522 -5.046 18437
3888 1 14 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.902 -0.244 18437
3889 1 14 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.399 1.273 18437
3890 1 14 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.703 -3.310 18437
3891 1 14 . 1 1 42 42 PHE H H 113 9.220 9.220 8.699 0.521 18437
3892 1 14 . 1 1 43 43 ARG N N 114 117.116 117.116 123.511 -6.395 18437
3893 1 14 . 1 1 43 43 ARG HA H 114 5.640 5.640 5.174 0.466 18437
3894 1 14 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.415 -0.345 18437
3895 1 14 . 1 1 43 43 ARG CB C 114 34.900 34.900 31.153 3.747 18437
3896 1 14 . 1 1 43 43 ARG H H 114 9.145 9.145 8.545 0.600 18437
3897 1 14 . 1 1 44 44 VAL N N 115 113.755 113.755 116.918 -3.163 18437
3898 1 14 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.646 0.207 18437
3899 1 14 . 1 1 44 44 VAL CA C 115 58.772 58.772 59.407 -0.635 18437
3900 1 14 . 1 1 44 44 VAL CB C 115 37.500 37.500 35.724 1.776 18437
3901 1 14 . 1 1 44 44 VAL H H 115 8.441 8.441 8.670 -0.229 18437
3902 1 14 . 1 1 45 45 SER N N 116 115.947 115.947 115.275 0.672 18437
3903 1 14 . 1 1 45 45 SER HA H 116 4.530 4.530 4.416 0.114 18437
3904 1 14 . 1 1 45 45 SER CA C 116 58.168 58.168 57.936 0.232 18437
3905 1 14 . 1 1 45 45 SER CB C 116 64.399 64.399 64.500 -0.101 18437
3906 1 14 . 1 1 45 45 SER H H 116 8.723 8.723 8.451 0.272 18437
3907 1 14 . 1 1 46 46 ALA N N 117 123.625 123.625 127.652 -4.027 18437
3908 1 14 . 1 1 46 46 ALA HA H 117 3.980 3.980 4.120 -0.140 18437
3909 1 14 . 1 1 46 46 ALA CA C 117 55.772 55.772 54.788 0.984 18437
3910 1 14 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.752 -0.642 18437
3911 1 14 . 1 1 46 46 ALA H H 117 9.143 9.143 8.668 0.475 18437
3912 1 14 . 1 1 47 47 GLY N N 118 106.332 106.332 107.019 -0.687 18437
3913 1 14 . 1 1 47 47 GLY CA C 118 46.900 46.900 46.457 0.443 18437
3914 1 14 . 1 1 47 47 GLY H H 118 8.937 8.937 7.622 1.315 18437
3915 1 14 . 1 1 48 48 VAL N N 119 124.965 124.965 122.832 2.133 18437
3916 1 14 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.673 0.170 18437
3917 1 14 . 1 1 48 48 VAL CA C 119 65.816 65.816 65.556 0.260 18437
3918 1 14 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.746 0.221 18437
3919 1 14 . 1 1 48 48 VAL H H 119 7.376 7.376 7.539 -0.163 18437
3920 1 14 . 1 1 49 49 ALA N N 120 122.605 122.605 120.998 1.607 18437
3921 1 14 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.897 -0.225 18437
3922 1 14 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.248 0.224 18437
3923 1 14 . 1 1 49 49 ALA CB C 120 18.454 18.454 17.886 0.568 18437
3924 1 14 . 1 1 49 49 ALA H H 120 8.805 8.805 7.983 0.822 18437
3925 1 14 . 1 1 50 50 ALA N N 121 119.852 119.852 120.312 -0.460 18437
3926 1 14 . 1 1 50 50 ALA HA H 121 4.088 4.088 4.007 0.081 18437
3927 1 14 . 1 1 50 50 ALA CA C 121 54.946 54.946 54.912 0.034 18437
3928 1 14 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.278 -0.600 18437
3929 1 14 . 1 1 50 50 ALA H H 121 7.976 7.976 7.864 0.112 18437
3930 1 14 . 1 1 51 51 GLU N N 122 118.977 118.977 118.540 0.437 18437
3931 1 14 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.187 -0.041 18437
3932 1 14 . 1 1 51 51 GLU CA C 122 59.272 59.272 58.674 0.598 18437
3933 1 14 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.395 0.305 18437
3934 1 14 . 1 1 51 51 GLU H H 122 7.369 7.369 7.707 -0.338 18437
3935 1 14 . 1 1 52 52 MET N N 123 116.735 116.735 117.513 -0.778 18437
3936 1 14 . 1 1 52 52 MET HA H 123 3.941 3.941 4.196 -0.255 18437
3937 1 14 . 1 1 52 52 MET CA C 123 60.416 60.416 58.104 2.312 18437
3938 1 14 . 1 1 52 52 MET CB C 123 33.973 33.973 31.716 2.257 18437
3939 1 14 . 1 1 52 52 MET H H 123 8.794 8.794 8.106 0.688 18437
3940 1 14 . 1 1 53 53 THR N N 124 112.866 112.866 110.346 2.520 18437
3941 1 14 . 1 1 53 53 THR HA H 124 4.605 4.605 4.352 0.253 18437
3942 1 14 . 1 1 53 53 THR CA C 124 64.742 64.742 64.824 -0.082 18437
3943 1 14 . 1 1 53 53 THR CB C 124 68.392 68.392 68.727 -0.335 18437
3944 1 14 . 1 1 53 53 THR H H 124 8.622 8.622 8.248 0.374 18437
3945 1 14 . 1 1 54 54 GLU N N 125 125.722 125.722 120.212 5.510 18437
3946 1 14 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.169 -0.026 18437
3947 1 14 . 1 1 54 54 GLU CA C 125 59.639 59.639 58.157 1.482 18437
3948 1 14 . 1 1 54 54 GLU H H 125 8.054 8.054 7.551 0.503 18437
3949 1 14 . 1 1 55 55 ARG N N 126 114.393 114.393 117.179 -2.786 18437
3950 1 14 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.298 0.075 18437
3951 1 14 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.586 -0.114 18437
3952 1 14 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.846 0.954 18437
3953 1 14 . 1 1 55 55 ARG H H 126 7.703 7.703 8.107 -0.404 18437
3954 1 14 . 1 1 56 56 GLY N N 127 107.070 107.070 106.569 0.501 18437
3955 1 14 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.863 0.337 18437
3956 1 14 . 1 1 56 56 GLY H H 127 7.759 7.759 7.777 -0.018 18437
3957 1 14 . 1 1 57 57 LEU N N 128 116.338 116.338 117.966 -1.628 18437
3958 1 14 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.612 -0.241 18437
3959 1 14 . 1 1 57 57 LEU CA C 128 55.572 55.572 54.978 0.594 18437
3960 1 14 . 1 1 57 57 LEU CB C 128 42.427 42.427 42.995 -0.568 18437
3961 1 14 . 1 1 57 57 LEU H H 128 8.293 8.293 7.580 0.713 18437
3962 1 14 . 1 1 58 58 ALA N N 129 116.379 116.379 119.423 -3.044 18437
3963 1 14 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.969 0.161 18437
3964 1 14 . 1 1 58 58 ALA CA C 129 50.142 50.142 50.905 -0.763 18437
3965 1 14 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.346 0.963 18437
3966 1 14 . 1 1 58 58 ALA H H 129 7.351 7.351 7.388 -0.037 18437
3967 1 14 . 1 1 59 59 ARG N N 130 115.969 115.969 120.819 -4.850 18437
3968 1 14 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.865 0.057 18437
3969 1 14 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.470 -1.281 18437
3970 1 14 . 1 1 59 59 ARG CB C 130 33.453 33.453 34.503 -1.050 18437
3971 1 14 . 1 1 59 59 ARG H H 130 8.771 8.771 8.973 -0.202 18437
3972 1 14 . 1 1 60 60 MET N N 131 120.973 120.973 123.057 -2.084 18437
3973 1 14 . 1 1 60 60 MET HA H 131 4.415 4.415 4.372 0.043 18437
3974 1 14 . 1 1 60 60 MET CA C 131 55.677 55.677 56.928 -1.251 18437
3975 1 14 . 1 1 60 60 MET CB C 131 31.527 31.527 32.593 -1.065 18437
3976 1 14 . 1 1 60 60 MET H H 131 8.910 8.910 8.690 0.220 18437
3977 1 15 . 1 1 2 2 ASP N N 73 119.729 119.729 117.415 2.314 18437
3978 1 15 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.658 -0.038 18437
3979 1 15 . 1 1 2 2 ASP CA C 73 54.246 54.246 54.713 -0.467 18437
3980 1 15 . 1 1 2 2 ASP CB C 73 41.077 41.077 41.813 -0.736 18437
3981 1 15 . 1 1 2 2 ASP H H 73 8.508 8.508 8.613 -0.105 18437
3982 1 15 . 1 1 3 3 THR N N 74 114.613 114.613 114.885 -0.272 18437
3983 1 15 . 1 1 3 3 THR HA H 74 4.328 4.328 4.416 -0.088 18437
3984 1 15 . 1 1 3 3 THR CA C 74 62.046 62.046 62.073 -0.027 18437
3985 1 15 . 1 1 3 3 THR CB C 74 69.779 69.779 71.227 -1.448 18437
3986 1 15 . 1 1 3 3 THR H H 74 8.047 8.047 7.890 0.157 18437
3987 1 15 . 1 1 4 4 VAL N N 75 123.803 123.803 121.289 2.514 18437
3988 1 15 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.815 0.308 18437
3989 1 15 . 1 1 4 4 VAL CA C 75 62.272 62.272 63.312 -1.040 18437
3990 1 15 . 1 1 4 4 VAL CB C 75 32.873 32.873 31.049 1.824 18437
3991 1 15 . 1 1 4 4 VAL H H 75 8.225 8.225 8.000 0.225 18437
3992 1 15 . 1 1 5 5 ILE N N 76 126.050 126.050 122.542 3.508 18437
3993 1 15 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.399 -0.227 18437
3994 1 15 . 1 1 5 5 ILE CA C 76 60.469 60.469 60.788 -0.318 18437
3995 1 15 . 1 1 5 5 ILE CB C 76 38.570 38.570 39.242 -0.672 18437
3996 1 15 . 1 1 5 5 ILE H H 76 8.349 8.349 7.666 0.683 18437
3997 1 15 . 1 1 6 6 LEU N N 77 127.505 127.505 128.450 -0.945 18437
3998 1 15 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.655 -0.281 18437
3999 1 15 . 1 1 6 6 LEU CA C 77 55.042 55.042 55.460 -0.418 18437
4000 1 15 . 1 1 6 6 LEU CB C 77 42.700 42.700 43.159 -0.459 18437
4001 1 15 . 1 1 6 6 LEU H H 77 8.408 8.408 8.357 0.051 18437
4002 1 15 . 1 1 7 7 ASP N N 78 122.422 122.422 124.376 -1.954 18437
4003 1 15 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.787 0.022 18437
4004 1 15 . 1 1 7 7 ASP CA C 78 53.746 53.746 54.338 -0.592 18437
4005 1 15 . 1 1 7 7 ASP CB C 78 41.327 41.327 41.264 0.063 18437
4006 1 15 . 1 1 7 7 ASP H H 78 8.468 8.468 8.543 -0.075 18437
4007 1 15 . 1 1 8 8 THR N N 79 115.682 115.682 111.666 4.016 18437
4008 1 15 . 1 1 8 8 THR HA H 79 4.237 4.237 4.541 -0.304 18437
4009 1 15 . 1 1 8 8 THR CA C 79 62.272 62.272 60.808 1.464 18437
4010 1 15 . 1 1 8 8 THR CB C 79 68.766 68.766 71.290 -2.524 18437
4011 1 15 . 1 1 8 8 THR H H 79 8.447 8.447 7.542 0.905 18437
4012 1 15 . 1 1 9 9 SER N N 80 118.485 118.485 117.805 0.680 18437
4013 1 15 . 1 1 9 9 SER HA H 80 4.349 4.349 4.459 -0.110 18437
4014 1 15 . 1 1 9 9 SER CA C 80 60.346 60.346 58.815 1.531 18437
4015 1 15 . 1 1 9 9 SER CB C 80 63.372 63.372 63.886 -0.514 18437
4016 1 15 . 1 1 9 9 SER H H 80 8.521 8.521 8.469 0.052 18437
4017 1 15 . 1 1 10 10 GLU N N 81 121.082 121.082 120.490 0.592 18437
4018 1 15 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.155 0.244 18437
4019 1 15 . 1 1 10 10 GLU CA C 81 55.946 55.946 56.183 -0.237 18437
4020 1 15 . 1 1 10 10 GLU CB C 81 30.073 30.073 29.637 0.436 18437
4021 1 15 . 1 1 10 10 GLU H H 81 8.192 8.192 8.207 -0.015 18437
4022 1 15 . 1 1 11 11 LEU N N 82 120.855 120.855 122.789 -1.934 18437
4023 1 15 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.383 0.103 18437
4024 1 15 . 1 1 11 11 LEU CA C 82 54.319 54.319 55.808 -1.489 18437
4025 1 15 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.512 0.790 18437
4026 1 15 . 1 1 11 11 LEU H H 82 7.804 7.804 8.218 -0.414 18437
4027 1 15 . 1 1 12 12 VAL N N 83 119.700 119.700 118.644 1.056 18437
4028 1 15 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.565 -0.136 18437
4029 1 15 . 1 1 12 12 VAL CA C 83 60.069 60.069 60.251 -0.182 18437
4030 1 15 . 1 1 12 12 VAL CB C 83 34.830 34.830 35.178 -0.348 18437
4031 1 15 . 1 1 12 12 VAL H H 83 9.270 9.270 8.981 0.289 18437
4032 1 15 . 1 1 13 13 THR N N 84 118.866 118.866 122.714 -3.848 18437
4033 1 15 . 1 1 13 13 THR HA H 84 4.838 4.838 4.271 0.567 18437
4034 1 15 . 1 1 13 13 THR CA C 84 62.246 62.246 62.885 -0.639 18437
4035 1 15 . 1 1 13 13 THR CB C 84 68.463 68.463 68.580 -0.117 18437
4036 1 15 . 1 1 13 13 THR H H 84 8.380 8.380 8.601 -0.221 18437
4037 1 15 . 1 1 14 14 VAL N N 85 120.684 120.684 128.667 -7.983 18437
4038 1 15 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.398 0.388 18437
4039 1 15 . 1 1 14 14 VAL CA C 85 57.719 57.719 59.705 -1.986 18437
4040 1 15 . 1 1 14 14 VAL CB C 85 35.000 35.000 35.595 -0.595 18437
4041 1 15 . 1 1 14 14 VAL H H 85 8.678 8.678 8.191 0.487 18437
4042 1 15 . 1 1 15 15 VAL N N 86 116.897 116.897 128.986 -12.089 18437
4043 1 15 . 1 1 15 15 VAL HA H 86 4.583 4.583 5.021 -0.438 18437
4044 1 15 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.541 2.005 18437
4045 1 15 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.537 -0.837 18437
4046 1 15 . 1 1 15 15 VAL H H 86 8.926 8.926 9.051 -0.125 18437
4047 1 15 . 1 1 16 16 ALA N N 87 127.774 127.774 131.116 -3.342 18437
4048 1 15 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.520 -0.163 18437
4049 1 15 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.436 1.091 18437
4050 1 15 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.702 -0.454 18437
4051 1 15 . 1 1 16 16 ALA H H 87 8.508 8.508 8.443 0.065 18437
4052 1 15 . 1 1 17 17 LEU N N 88 122.162 122.162 122.296 -0.134 18437
4053 1 15 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.644 -0.079 18437
4054 1 15 . 1 1 17 17 LEU CA C 88 55.019 55.019 55.993 -0.974 18437
4055 1 15 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.523 0.177 18437
4056 1 15 . 1 1 17 17 LEU H H 88 9.104 9.104 8.877 0.227 18437
4057 1 15 . 1 1 18 18 VAL N N 89 112.263 112.263 113.621 -1.358 18437
4058 1 15 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.485 0.047 18437
4059 1 15 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.563 -1.117 18437
4060 1 15 . 1 1 18 18 VAL CB C 89 36.300 36.300 35.267 1.033 18437
4061 1 15 . 1 1 18 18 VAL H H 89 7.444 7.444 7.584 -0.140 18437
4062 1 15 . 1 1 19 19 LYS N N 90 118.799 118.799 122.464 -3.665 18437
4063 1 15 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.207 0.375 18437
4064 1 15 . 1 1 19 19 LYS CA C 90 56.946 56.946 57.186 -0.240 18437
4065 1 15 . 1 1 19 19 LYS CB C 90 32.573 32.573 31.058 1.515 18437
4066 1 15 . 1 1 19 19 LYS H H 90 8.198 8.198 8.369 -0.171 18437
4067 1 15 . 1 1 20 20 LEU N N 91 124.814 124.814 126.000 -1.186 18437
4068 1 15 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.783 -0.033 18437
4069 1 15 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.526 -0.394 18437
4070 1 15 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.580 -0.179 18437
4071 1 15 . 1 1 20 20 LEU H H 91 8.351 8.351 7.885 0.466 18437
4072 1 15 . 1 1 21 21 HIS N N 92 121.971 121.971 123.115 -1.144 18437
4073 1 15 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.867 0.245 18437
4074 1 15 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.017 0.536 18437
4075 1 15 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.159 0.068 18437
4076 1 15 . 1 1 21 21 HIS H H 92 8.555 8.555 8.597 -0.042 18437
4077 1 15 . 1 1 22 22 THR N N 93 119.332 119.332 117.438 1.894 18437
4078 1 15 . 1 1 22 22 THR HA H 93 4.492 4.492 4.472 0.020 18437
4079 1 15 . 1 1 22 22 THR CA C 93 59.546 59.546 60.455 -0.909 18437
4080 1 15 . 1 1 22 22 THR CB C 93 69.472 69.472 70.353 -0.881 18437
4081 1 15 . 1 1 22 22 THR H H 93 8.182 8.182 8.001 0.181 18437
4082 1 15 . 1 1 23 23 ASP N N 94 121.861 121.861 128.113 -6.252 18437
4083 1 15 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.169 -0.190 18437
4084 1 15 . 1 1 23 23 ASP CA C 94 53.673 53.673 52.844 0.829 18437
4085 1 15 . 1 1 23 23 ASP CB C 94 41.027 41.027 40.554 0.473 18437
4086 1 15 . 1 1 23 23 ASP H H 94 8.133 8.133 8.520 -0.387 18437
4087 1 15 . 1 1 24 24 ALA N N 95 125.785 125.785 127.195 -1.410 18437
4088 1 15 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.569 0.584 18437
4089 1 15 . 1 1 24 24 ALA CA C 95 50.916 50.916 50.279 0.637 18437
4090 1 15 . 1 1 24 24 ALA CB C 95 24.090 24.090 22.572 1.518 18437
4091 1 15 . 1 1 24 24 ALA H H 95 7.992 7.992 8.758 -0.766 18437
4092 1 15 . 1 1 25 25 LEU N N 96 120.726 120.726 119.567 1.159 18437
4093 1 15 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.555 0.756 18437
4094 1 15 . 1 1 25 25 LEU CA C 96 53.416 53.416 54.596 -1.180 18437
4095 1 15 . 1 1 25 25 LEU CB C 96 46.000 46.000 45.463 0.537 18437
4096 1 15 . 1 1 25 25 LEU H H 96 8.661 8.661 8.498 0.163 18437
4097 1 15 . 1 1 26 26 HIS N N 97 121.175 121.175 124.196 -3.021 18437
4098 1 15 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.438 -0.169 18437
4099 1 15 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.567 1.749 18437
4100 1 15 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.768 0.205 18437
4101 1 15 . 1 1 26 26 HIS H H 97 8.725 8.725 8.204 0.521 18437
4102 1 15 . 1 1 27 27 ALA N N 98 126.618 126.618 130.213 -3.595 18437
4103 1 15 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.294 -0.535 18437
4104 1 15 . 1 1 27 27 ALA CA C 98 56.672 56.672 54.072 2.600 18437
4105 1 15 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.121 0.256 18437
4106 1 15 . 1 1 27 27 ALA H H 98 8.260 8.260 8.751 -0.491 18437
4107 1 15 . 1 1 28 28 THR N N 99 107.369 107.369 111.365 -3.996 18437
4108 1 15 . 1 1 28 28 THR HA H 99 4.584 4.584 4.125 0.459 18437
4109 1 15 . 1 1 28 28 THR CA C 99 61.872 61.872 63.001 -1.129 18437
4110 1 15 . 1 1 28 28 THR CB C 99 70.442 70.442 69.145 1.297 18437
4111 1 15 . 1 1 28 28 THR H H 99 10.304 10.304 8.237 2.067 18437
4112 1 15 . 1 1 29 29 ARG N N 100 124.395 124.395 119.681 4.714 18437
4113 1 15 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.453 0.114 18437
4114 1 15 . 1 1 29 29 ARG CA C 100 55.246 55.246 54.481 0.765 18437
4115 1 15 . 1 1 29 29 ARG CB C 100 32.673 32.673 31.484 1.189 18437
4116 1 15 . 1 1 29 29 ARG H H 100 9.037 9.037 7.629 1.408 18437
4117 1 15 . 1 1 30 30 ASP N N 101 124.596 124.596 121.075 3.521 18437
4118 1 15 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.832 -0.099 18437
4119 1 15 . 1 1 30 30 ASP CA C 101 52.916 52.916 53.601 -0.685 18437
4120 1 15 . 1 1 30 30 ASP CB C 101 38.097 38.097 40.075 -1.978 18437
4121 1 15 . 1 1 30 30 ASP H H 101 8.898 8.898 8.464 0.434 18437
4122 1 15 . 1 1 31 31 GLU N N 102 121.916 121.916 121.893 0.023 18437
4123 1 15 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.643 0.275 18437
4124 1 15 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.416 -1.870 18437
4125 1 15 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.520 0.542 18437
4126 1 15 . 1 1 31 31 GLU H H 102 7.876 7.876 8.206 -0.330 18437
4127 1 15 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.435 0.664 18437
4128 1 15 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.508 0.181 18437
4129 1 15 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.550 0.590 18437
4130 1 15 . 1 1 33 33 VAL N N 104 118.661 118.661 119.860 -1.199 18437
4131 1 15 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.146 0.257 18437
4132 1 15 . 1 1 33 33 VAL CA C 104 61.216 61.216 61.215 0.001 18437
4133 1 15 . 1 1 33 33 VAL CB C 104 35.543 35.543 33.415 2.128 18437
4134 1 15 . 1 1 33 33 VAL H H 104 8.362 8.362 8.396 -0.034 18437
4135 1 15 . 1 1 34 34 ALA N N 105 126.902 126.902 129.063 -2.161 18437
4136 1 15 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.566 0.604 18437
4137 1 15 . 1 1 34 34 ALA CA C 105 51.622 51.622 52.220 -0.598 18437
4138 1 15 . 1 1 34 34 ALA CB C 105 21.017 21.017 21.218 -0.202 18437
4139 1 15 . 1 1 34 34 ALA H H 105 8.726 8.726 8.477 0.249 18437
4140 1 15 . 1 1 35 35 PHE N N 106 119.156 119.156 113.465 5.691 18437
4141 1 15 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.486 0.750 18437
4142 1 15 . 1 1 35 35 PHE CA C 106 56.646 56.646 55.270 1.376 18437
4143 1 15 . 1 1 35 35 PHE CB C 106 41.300 41.300 40.609 0.691 18437
4144 1 15 . 1 1 35 35 PHE H H 106 7.597 7.597 6.936 0.661 18437
4145 1 15 . 1 1 36 36 VAL N N 107 120.344 120.344 118.318 2.026 18437
4146 1 15 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.303 -0.084 18437
4147 1 15 . 1 1 36 36 VAL CA C 107 59.546 59.546 59.796 -0.250 18437
4148 1 15 . 1 1 36 36 VAL CB C 107 35.200 35.200 34.006 1.194 18437
4149 1 15 . 1 1 36 36 VAL H H 107 8.267 8.267 8.527 -0.260 18437
4150 1 15 . 1 1 37 37 LEU N N 108 121.820 121.820 120.911 0.909 18437
4151 1 15 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.904 -0.475 18437
4152 1 15 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.850 0.016 18437
4153 1 15 . 1 1 37 37 LEU CB C 108 41.100 41.100 43.350 -2.250 18437
4154 1 15 . 1 1 37 37 LEU H H 108 7.737 7.737 8.426 -0.689 18437
4155 1 15 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.534 -0.823 18437
4156 1 15 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.535 0.137 18437
4157 1 15 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.354 0.719 18437
4158 1 15 . 1 1 39 39 GLY N N 110 112.032 112.032 111.995 0.037 18437
4159 1 15 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.264 -0.421 18437
4160 1 15 . 1 1 39 39 GLY H H 110 9.026 9.026 8.376 0.650 18437
4161 1 15 . 1 1 40 40 THR N N 111 119.141 119.141 120.079 -0.938 18437
4162 1 15 . 1 1 40 40 THR HA H 111 4.330 4.330 4.573 -0.243 18437
4163 1 15 . 1 1 40 40 THR CA C 111 63.346 63.346 61.897 1.449 18437
4164 1 15 . 1 1 40 40 THR CB C 111 69.512 69.512 69.890 -0.378 18437
4165 1 15 . 1 1 40 40 THR H H 111 8.039 8.039 7.907 0.132 18437
4166 1 15 . 1 1 41 41 ALA N N 112 131.125 131.125 128.993 2.132 18437
4167 1 15 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.580 1.127 18437
4168 1 15 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.214 -0.902 18437
4169 1 15 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.638 0.284 18437
4170 1 15 . 1 1 41 41 ALA H H 112 8.900 8.900 8.537 0.363 18437
4171 1 15 . 1 1 42 42 PHE N N 113 116.476 116.476 121.533 -5.057 18437
4172 1 15 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.862 -0.204 18437
4173 1 15 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.424 1.248 18437
4174 1 15 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.644 -3.251 18437
4175 1 15 . 1 1 42 42 PHE H H 113 9.220 9.220 8.692 0.528 18437
4176 1 15 . 1 1 43 43 ARG N N 114 117.116 117.116 124.356 -7.240 18437
4177 1 15 . 1 1 43 43 ARG HA H 114 5.640 5.640 5.079 0.561 18437
4178 1 15 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.671 -0.601 18437
4179 1 15 . 1 1 43 43 ARG CB C 114 34.900 34.900 30.721 4.179 18437
4180 1 15 . 1 1 43 43 ARG H H 114 9.145 9.145 8.569 0.576 18437
4181 1 15 . 1 1 44 44 VAL N N 115 113.755 113.755 117.356 -3.601 18437
4182 1 15 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.732 0.121 18437
4183 1 15 . 1 1 44 44 VAL CA C 115 58.772 58.772 59.255 -0.483 18437
4184 1 15 . 1 1 44 44 VAL CB C 115 37.500 37.500 35.730 1.770 18437
4185 1 15 . 1 1 44 44 VAL H H 115 8.441 8.441 8.748 -0.307 18437
4186 1 15 . 1 1 45 45 SER N N 116 115.947 115.947 115.228 0.719 18437
4187 1 15 . 1 1 45 45 SER HA H 116 4.530 4.530 4.485 0.045 18437
4188 1 15 . 1 1 45 45 SER CA C 116 58.168 58.168 58.190 -0.022 18437
4189 1 15 . 1 1 45 45 SER CB C 116 64.399 64.399 63.321 1.079 18437
4190 1 15 . 1 1 45 45 SER H H 116 8.723 8.723 8.589 0.134 18437
4191 1 15 . 1 1 46 46 ALA N N 117 123.625 123.625 126.842 -3.217 18437
4192 1 15 . 1 1 46 46 ALA HA H 117 3.980 3.980 3.943 0.037 18437
4193 1 15 . 1 1 46 46 ALA CA C 117 55.772 55.772 55.329 0.443 18437
4194 1 15 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.700 -0.590 18437
4195 1 15 . 1 1 46 46 ALA H H 117 9.143 9.143 8.235 0.908 18437
4196 1 15 . 1 1 47 47 GLY N N 118 106.332 106.332 105.155 1.177 18437
4197 1 15 . 1 1 47 47 GLY CA C 118 46.900 46.900 46.087 0.813 18437
4198 1 15 . 1 1 47 47 GLY H H 118 8.937 8.937 8.453 0.484 18437
4199 1 15 . 1 1 48 48 VAL N N 119 124.965 124.965 123.289 1.676 18437
4200 1 15 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.688 0.155 18437
4201 1 15 . 1 1 48 48 VAL CA C 119 65.816 65.816 65.902 -0.086 18437
4202 1 15 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.863 0.104 18437
4203 1 15 . 1 1 48 48 VAL H H 119 7.376 7.376 7.512 -0.136 18437
4204 1 15 . 1 1 49 49 ALA N N 120 122.605 122.605 121.282 1.323 18437
4205 1 15 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.898 -0.226 18437
4206 1 15 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.271 0.201 18437
4207 1 15 . 1 1 49 49 ALA CB C 120 18.454 18.454 17.855 0.599 18437
4208 1 15 . 1 1 49 49 ALA H H 120 8.805 8.805 8.254 0.551 18437
4209 1 15 . 1 1 50 50 ALA N N 121 119.852 119.852 120.285 -0.433 18437
4210 1 15 . 1 1 50 50 ALA HA H 121 4.088 4.088 3.992 0.096 18437
4211 1 15 . 1 1 50 50 ALA CA C 121 54.946 54.946 54.960 -0.014 18437
4212 1 15 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.213 -0.535 18437
4213 1 15 . 1 1 50 50 ALA H H 121 7.976 7.976 7.849 0.127 18437
4214 1 15 . 1 1 51 51 GLU N N 122 118.977 118.977 117.962 1.015 18437
4215 1 15 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.094 0.052 18437
4216 1 15 . 1 1 51 51 GLU CA C 122 59.272 59.272 59.036 0.236 18437
4217 1 15 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.764 -0.064 18437
4218 1 15 . 1 1 51 51 GLU H H 122 7.369 7.369 7.705 -0.336 18437
4219 1 15 . 1 1 52 52 MET N N 123 116.735 116.735 117.762 -1.027 18437
4220 1 15 . 1 1 52 52 MET HA H 123 3.941 3.941 4.207 -0.266 18437
4221 1 15 . 1 1 52 52 MET CA C 123 60.416 60.416 58.239 2.177 18437
4222 1 15 . 1 1 52 52 MET CB C 123 33.973 33.973 31.681 2.292 18437
4223 1 15 . 1 1 52 52 MET H H 123 8.794 8.794 8.150 0.644 18437
4224 1 15 . 1 1 53 53 THR N N 124 112.866 112.866 110.486 2.380 18437
4225 1 15 . 1 1 53 53 THR HA H 124 4.605 4.605 4.387 0.218 18437
4226 1 15 . 1 1 53 53 THR CA C 124 64.742 64.742 65.347 -0.605 18437
4227 1 15 . 1 1 53 53 THR CB C 124 68.392 68.392 68.646 -0.254 18437
4228 1 15 . 1 1 53 53 THR H H 124 8.622 8.622 8.249 0.373 18437
4229 1 15 . 1 1 54 54 GLU N N 125 125.722 125.722 120.538 5.184 18437
4230 1 15 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.179 -0.036 18437
4231 1 15 . 1 1 54 54 GLU CA C 125 59.639 59.639 57.931 1.708 18437
4232 1 15 . 1 1 54 54 GLU H H 125 8.054 8.054 7.594 0.460 18437
4233 1 15 . 1 1 55 55 ARG N N 126 114.393 114.393 117.840 -3.447 18437
4234 1 15 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.319 0.054 18437
4235 1 15 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.836 -0.364 18437
4236 1 15 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.998 0.802 18437
4237 1 15 . 1 1 55 55 ARG H H 126 7.703 7.703 7.798 -0.095 18437
4238 1 15 . 1 1 56 56 GLY N N 127 107.070 107.070 106.328 0.742 18437
4239 1 15 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.666 0.534 18437
4240 1 15 . 1 1 56 56 GLY H H 127 7.759 7.759 8.181 -0.422 18437
4241 1 15 . 1 1 57 57 LEU N N 128 116.338 116.338 117.112 -0.774 18437
4242 1 15 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.653 -0.282 18437
4243 1 15 . 1 1 57 57 LEU CA C 128 55.572 55.572 54.723 0.849 18437
4244 1 15 . 1 1 57 57 LEU CB C 128 42.427 42.427 43.229 -0.802 18437
4245 1 15 . 1 1 57 57 LEU H H 128 8.293 8.293 7.597 0.696 18437
4246 1 15 . 1 1 58 58 ALA N N 129 116.379 116.379 119.843 -3.464 18437
4247 1 15 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.985 0.145 18437
4248 1 15 . 1 1 58 58 ALA CA C 129 50.142 50.142 51.034 -0.892 18437
4249 1 15 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.407 0.901 18437
4250 1 15 . 1 1 58 58 ALA H H 129 7.351 7.351 7.373 -0.022 18437
4251 1 15 . 1 1 59 59 ARG N N 130 115.969 115.969 120.757 -4.788 18437
4252 1 15 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.852 0.070 18437
4253 1 15 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.648 -1.459 18437
4254 1 15 . 1 1 59 59 ARG CB C 130 33.453 33.453 34.384 -0.931 18437
4255 1 15 . 1 1 59 59 ARG H H 130 8.771 8.771 8.914 -0.143 18437
4256 1 15 . 1 1 60 60 MET N N 131 120.973 120.973 123.635 -2.662 18437
4257 1 15 . 1 1 60 60 MET HA H 131 4.415 4.415 4.492 -0.077 18437
4258 1 15 . 1 1 60 60 MET CA C 131 55.677 55.677 56.511 -0.834 18437
4259 1 15 . 1 1 60 60 MET CB C 131 31.527 31.527 32.436 -0.909 18437
4260 1 15 . 1 1 60 60 MET H H 131 8.910 8.910 8.695 0.215 18437
4261 1 16 . 1 1 2 2 ASP N N 73 119.729 119.729 118.241 1.488 18437
4262 1 16 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.684 -0.064 18437
4263 1 16 . 1 1 2 2 ASP CA C 73 54.246 54.246 55.204 -0.958 18437
4264 1 16 . 1 1 2 2 ASP CB C 73 41.077 41.077 41.342 -0.265 18437
4265 1 16 . 1 1 2 2 ASP H H 73 8.508 8.508 8.511 -0.003 18437
4266 1 16 . 1 1 3 3 THR N N 74 114.613 114.613 115.239 -0.626 18437
4267 1 16 . 1 1 3 3 THR HA H 74 4.328 4.328 4.366 -0.038 18437
4268 1 16 . 1 1 3 3 THR CA C 74 62.046 62.046 62.491 -0.445 18437
4269 1 16 . 1 1 3 3 THR CB C 74 69.779 69.779 70.469 -0.690 18437
4270 1 16 . 1 1 3 3 THR H H 74 8.047 8.047 7.876 0.171 18437
4271 1 16 . 1 1 4 4 VAL N N 75 123.803 123.803 120.500 3.303 18437
4272 1 16 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.781 0.342 18437
4273 1 16 . 1 1 4 4 VAL CA C 75 62.272 62.272 63.326 -1.054 18437
4274 1 16 . 1 1 4 4 VAL CB C 75 32.873 32.873 30.673 2.200 18437
4275 1 16 . 1 1 4 4 VAL H H 75 8.225 8.225 7.861 0.364 18437
4276 1 16 . 1 1 5 5 ILE N N 76 126.050 126.050 121.241 4.809 18437
4277 1 16 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.402 -0.230 18437
4278 1 16 . 1 1 5 5 ILE CA C 76 60.469 60.469 60.690 -0.221 18437
4279 1 16 . 1 1 5 5 ILE CB C 76 38.570 38.570 39.691 -1.121 18437
4280 1 16 . 1 1 5 5 ILE H H 76 8.349 8.349 7.662 0.687 18437
4281 1 16 . 1 1 6 6 LEU N N 77 127.505 127.505 127.373 0.132 18437
4282 1 16 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.649 -0.275 18437
4283 1 16 . 1 1 6 6 LEU CA C 77 55.042 55.042 54.884 0.158 18437
4284 1 16 . 1 1 6 6 LEU CB C 77 42.700 42.700 43.127 -0.427 18437
4285 1 16 . 1 1 6 6 LEU H H 77 8.408 8.408 8.363 0.045 18437
4286 1 16 . 1 1 7 7 ASP N N 78 122.422 122.422 123.637 -1.215 18437
4287 1 16 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.855 -0.046 18437
4288 1 16 . 1 1 7 7 ASP CA C 78 53.746 53.746 54.147 -0.401 18437
4289 1 16 . 1 1 7 7 ASP CB C 78 41.327 41.327 42.050 -0.723 18437
4290 1 16 . 1 1 7 7 ASP H H 78 8.468 8.468 8.736 -0.268 18437
4291 1 16 . 1 1 8 8 THR N N 79 115.682 115.682 112.494 3.188 18437
4292 1 16 . 1 1 8 8 THR HA H 79 4.237 4.237 4.677 -0.440 18437
4293 1 16 . 1 1 8 8 THR CA C 79 62.272 62.272 61.690 0.582 18437
4294 1 16 . 1 1 8 8 THR CB C 79 68.766 68.766 70.930 -2.164 18437
4295 1 16 . 1 1 8 8 THR H H 79 8.447 8.447 7.618 0.829 18437
4296 1 16 . 1 1 9 9 SER N N 80 118.485 118.485 119.299 -0.814 18437
4297 1 16 . 1 1 9 9 SER HA H 80 4.349 4.349 4.443 -0.094 18437
4298 1 16 . 1 1 9 9 SER CA C 80 60.346 60.346 58.051 2.295 18437
4299 1 16 . 1 1 9 9 SER CB C 80 63.372 63.372 64.023 -0.651 18437
4300 1 16 . 1 1 9 9 SER H H 80 8.521 8.521 8.529 -0.008 18437
4301 1 16 . 1 1 10 10 GLU N N 81 121.082 121.082 121.258 -0.176 18437
4302 1 16 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.093 0.306 18437
4303 1 16 . 1 1 10 10 GLU CA C 81 55.946 55.946 56.641 -0.695 18437
4304 1 16 . 1 1 10 10 GLU CB C 81 30.073 30.073 29.358 0.715 18437
4305 1 16 . 1 1 10 10 GLU H H 81 8.192 8.192 8.341 -0.149 18437
4306 1 16 . 1 1 11 11 LEU N N 82 120.855 120.855 123.538 -2.683 18437
4307 1 16 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.470 0.016 18437
4308 1 16 . 1 1 11 11 LEU CA C 82 54.319 54.319 55.922 -1.603 18437
4309 1 16 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.229 1.073 18437
4310 1 16 . 1 1 11 11 LEU H H 82 7.804 7.804 8.434 -0.630 18437
4311 1 16 . 1 1 12 12 VAL N N 83 119.700 119.700 117.530 2.170 18437
4312 1 16 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.581 -0.152 18437
4313 1 16 . 1 1 12 12 VAL CA C 83 60.069 60.069 59.859 0.210 18437
4314 1 16 . 1 1 12 12 VAL CB C 83 34.830 34.830 34.456 0.374 18437
4315 1 16 . 1 1 12 12 VAL H H 83 9.270 9.270 9.057 0.213 18437
4316 1 16 . 1 1 13 13 THR N N 84 118.866 118.866 123.414 -4.548 18437
4317 1 16 . 1 1 13 13 THR HA H 84 4.838 4.838 4.263 0.575 18437
4318 1 16 . 1 1 13 13 THR CA C 84 62.246 62.246 63.573 -1.327 18437
4319 1 16 . 1 1 13 13 THR CB C 84 68.463 68.463 68.954 -0.491 18437
4320 1 16 . 1 1 13 13 THR H H 84 8.380 8.380 8.640 -0.260 18437
4321 1 16 . 1 1 14 14 VAL N N 85 120.684 120.684 128.129 -7.445 18437
4322 1 16 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.432 0.354 18437
4323 1 16 . 1 1 14 14 VAL CA C 85 57.719 57.719 60.742 -3.023 18437
4324 1 16 . 1 1 14 14 VAL CB C 85 35.000 35.000 35.671 -0.671 18437
4325 1 16 . 1 1 14 14 VAL H H 85 8.678 8.678 8.209 0.469 18437
4326 1 16 . 1 1 15 15 VAL N N 86 116.897 116.897 128.591 -11.694 18437
4327 1 16 . 1 1 15 15 VAL HA H 86 4.583 4.583 5.092 -0.509 18437
4328 1 16 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.487 2.059 18437
4329 1 16 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.461 -0.761 18437
4330 1 16 . 1 1 15 15 VAL H H 86 8.926 8.926 8.692 0.234 18437
4331 1 16 . 1 1 16 16 ALA N N 87 127.774 127.774 130.145 -2.371 18437
4332 1 16 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.497 -0.140 18437
4333 1 16 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.385 1.142 18437
4334 1 16 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.840 -0.592 18437
4335 1 16 . 1 1 16 16 ALA H H 87 8.508 8.508 8.473 0.035 18437
4336 1 16 . 1 1 17 17 LEU N N 88 122.162 122.162 120.939 1.223 18437
4337 1 16 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.610 -0.045 18437
4338 1 16 . 1 1 17 17 LEU CA C 88 55.019 55.019 55.390 -0.371 18437
4339 1 16 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.828 -0.128 18437
4340 1 16 . 1 1 17 17 LEU H H 88 9.104 9.104 8.873 0.231 18437
4341 1 16 . 1 1 18 18 VAL N N 89 112.263 112.263 113.913 -1.650 18437
4342 1 16 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.452 0.080 18437
4343 1 16 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.358 -0.912 18437
4344 1 16 . 1 1 18 18 VAL CB C 89 36.300 36.300 34.690 1.610 18437
4345 1 16 . 1 1 18 18 VAL H H 89 7.444 7.444 7.386 0.058 18437
4346 1 16 . 1 1 19 19 LYS N N 90 118.799 118.799 122.391 -3.592 18437
4347 1 16 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.254 0.328 18437
4348 1 16 . 1 1 19 19 LYS CA C 90 56.946 56.946 57.352 -0.407 18437
4349 1 16 . 1 1 19 19 LYS CB C 90 32.573 32.573 31.020 1.554 18437
4350 1 16 . 1 1 19 19 LYS H H 90 8.198 8.198 8.399 -0.201 18437
4351 1 16 . 1 1 20 20 LEU N N 91 124.814 124.814 125.752 -0.938 18437
4352 1 16 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.827 -0.077 18437
4353 1 16 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.395 -0.264 18437
4354 1 16 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.437 -0.037 18437
4355 1 16 . 1 1 20 20 LEU H H 91 8.351 8.351 7.873 0.478 18437
4356 1 16 . 1 1 21 21 HIS N N 92 121.971 121.971 123.246 -1.275 18437
4357 1 16 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.859 0.253 18437
4358 1 16 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.157 0.396 18437
4359 1 16 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.157 0.070 18437
4360 1 16 . 1 1 21 21 HIS H H 92 8.555 8.555 8.612 -0.057 18437
4361 1 16 . 1 1 22 22 THR N N 93 119.332 119.332 117.534 1.798 18437
4362 1 16 . 1 1 22 22 THR HA H 93 4.492 4.492 4.475 0.017 18437
4363 1 16 . 1 1 22 22 THR CA C 93 59.546 59.546 60.415 -0.869 18437
4364 1 16 . 1 1 22 22 THR CB C 93 69.472 69.472 70.303 -0.831 18437
4365 1 16 . 1 1 22 22 THR H H 93 8.182 8.182 7.986 0.196 18437
4366 1 16 . 1 1 23 23 ASP N N 94 121.861 121.861 127.162 -5.301 18437
4367 1 16 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.232 -0.253 18437
4368 1 16 . 1 1 23 23 ASP CA C 94 53.673 53.673 53.442 0.231 18437
4369 1 16 . 1 1 23 23 ASP CB C 94 41.027 41.027 41.128 -0.101 18437
4370 1 16 . 1 1 23 23 ASP H H 94 8.133 8.133 8.500 -0.367 18437
4371 1 16 . 1 1 24 24 ALA N N 95 125.785 125.785 126.985 -1.200 18437
4372 1 16 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.691 0.462 18437
4373 1 16 . 1 1 24 24 ALA CA C 95 50.916 50.916 50.747 0.169 18437
4374 1 16 . 1 1 24 24 ALA CB C 95 24.090 24.090 21.556 2.534 18437
4375 1 16 . 1 1 24 24 ALA H H 95 7.992 7.992 8.230 -0.238 18437
4376 1 16 . 1 1 25 25 LEU N N 96 120.726 120.726 124.843 -4.117 18437
4377 1 16 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.478 0.833 18437
4378 1 16 . 1 1 25 25 LEU CA C 96 53.416 53.416 53.508 -0.092 18437
4379 1 16 . 1 1 25 25 LEU CB C 96 46.000 46.000 42.239 3.761 18437
4380 1 16 . 1 1 25 25 LEU H H 96 8.661 8.661 8.596 0.065 18437
4381 1 16 . 1 1 26 26 HIS N N 97 121.175 121.175 126.007 -4.832 18437
4382 1 16 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.341 -0.072 18437
4383 1 16 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.946 1.370 18437
4384 1 16 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.878 0.095 18437
4385 1 16 . 1 1 26 26 HIS H H 97 8.725 8.725 8.384 0.341 18437
4386 1 16 . 1 1 27 27 ALA N N 98 126.618 126.618 130.014 -3.396 18437
4387 1 16 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.309 -0.550 18437
4388 1 16 . 1 1 27 27 ALA CA C 98 56.672 56.672 53.948 2.724 18437
4389 1 16 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.367 0.010 18437
4390 1 16 . 1 1 27 27 ALA H H 98 8.260 8.260 8.643 -0.383 18437
4391 1 16 . 1 1 28 28 THR N N 99 107.369 107.369 112.584 -5.215 18437
4392 1 16 . 1 1 28 28 THR HA H 99 4.584 4.584 4.217 0.367 18437
4393 1 16 . 1 1 28 28 THR CA C 99 61.872 61.872 63.591 -1.719 18437
4394 1 16 . 1 1 28 28 THR CB C 99 70.442 70.442 69.038 1.404 18437
4395 1 16 . 1 1 28 28 THR H H 99 10.304 10.304 8.154 2.150 18437
4396 1 16 . 1 1 29 29 ARG N N 100 124.395 124.395 120.690 3.705 18437
4397 1 16 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.510 0.057 18437
4398 1 16 . 1 1 29 29 ARG CA C 100 55.246 55.246 54.755 0.490 18437
4399 1 16 . 1 1 29 29 ARG CB C 100 32.673 32.673 31.445 1.228 18437
4400 1 16 . 1 1 29 29 ARG H H 100 9.037 9.037 7.649 1.388 18437
4401 1 16 . 1 1 30 30 ASP N N 101 124.596 124.596 120.302 4.294 18437
4402 1 16 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.787 -0.054 18437
4403 1 16 . 1 1 30 30 ASP CA C 101 52.916 52.916 53.725 -0.809 18437
4404 1 16 . 1 1 30 30 ASP CB C 101 38.097 38.097 40.498 -2.401 18437
4405 1 16 . 1 1 30 30 ASP H H 101 8.898 8.898 8.485 0.413 18437
4406 1 16 . 1 1 31 31 GLU N N 102 121.916 121.916 122.094 -0.178 18437
4407 1 16 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.630 0.288 18437
4408 1 16 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.312 -1.766 18437
4409 1 16 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.282 0.779 18437
4410 1 16 . 1 1 31 31 GLU H H 102 7.876 7.876 8.232 -0.356 18437
4411 1 16 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.444 0.655 18437
4412 1 16 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.541 0.148 18437
4413 1 16 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.474 0.666 18437
4414 1 16 . 1 1 33 33 VAL N N 104 118.661 118.661 120.007 -1.346 18437
4415 1 16 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.140 0.263 18437
4416 1 16 . 1 1 33 33 VAL CA C 104 61.216 61.216 61.208 0.008 18437
4417 1 16 . 1 1 33 33 VAL CB C 104 35.543 35.543 33.373 2.170 18437
4418 1 16 . 1 1 33 33 VAL H H 104 8.362 8.362 7.862 0.500 18437
4419 1 16 . 1 1 34 34 ALA N N 105 126.902 126.902 129.092 -2.190 18437
4420 1 16 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.567 0.603 18437
4421 1 16 . 1 1 34 34 ALA CA C 105 51.622 51.622 52.214 -0.592 18437
4422 1 16 . 1 1 34 34 ALA CB C 105 21.017 21.017 21.001 0.016 18437
4423 1 16 . 1 1 34 34 ALA H H 105 8.726 8.726 8.363 0.363 18437
4424 1 16 . 1 1 35 35 PHE N N 106 119.156 119.156 113.436 5.720 18437
4425 1 16 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.503 0.733 18437
4426 1 16 . 1 1 35 35 PHE CA C 106 56.646 56.646 55.243 1.403 18437
4427 1 16 . 1 1 35 35 PHE CB C 106 41.300 41.300 40.176 1.124 18437
4428 1 16 . 1 1 35 35 PHE H H 106 7.597 7.597 6.917 0.680 18437
4429 1 16 . 1 1 36 36 VAL N N 107 120.344 120.344 118.256 2.088 18437
4430 1 16 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.328 -0.109 18437
4431 1 16 . 1 1 36 36 VAL CA C 107 59.546 59.546 59.740 -0.194 18437
4432 1 16 . 1 1 36 36 VAL CB C 107 35.200 35.200 34.153 1.047 18437
4433 1 16 . 1 1 36 36 VAL H H 107 8.267 8.267 8.525 -0.258 18437
4434 1 16 . 1 1 37 37 LEU N N 108 121.820 121.820 120.756 1.064 18437
4435 1 16 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.897 -0.468 18437
4436 1 16 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.958 -0.091 18437
4437 1 16 . 1 1 37 37 LEU CB C 108 41.100 41.100 43.451 -2.351 18437
4438 1 16 . 1 1 37 37 LEU H H 108 7.737 7.737 8.416 -0.679 18437
4439 1 16 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.503 -0.792 18437
4440 1 16 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.552 0.120 18437
4441 1 16 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.340 0.733 18437
4442 1 16 . 1 1 39 39 GLY N N 110 112.032 112.032 112.030 0.002 18437
4443 1 16 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.258 -0.416 18437
4444 1 16 . 1 1 39 39 GLY H H 110 9.026 9.026 8.381 0.645 18437
4445 1 16 . 1 1 40 40 THR N N 111 119.141 119.141 119.858 -0.717 18437
4446 1 16 . 1 1 40 40 THR HA H 111 4.330 4.330 4.568 -0.238 18437
4447 1 16 . 1 1 40 40 THR CA C 111 63.346 63.346 61.832 1.514 18437
4448 1 16 . 1 1 40 40 THR CB C 111 69.512 69.512 69.847 -0.335 18437
4449 1 16 . 1 1 40 40 THR H H 111 8.039 8.039 7.900 0.139 18437
4450 1 16 . 1 1 41 41 ALA N N 112 131.125 131.125 129.274 1.851 18437
4451 1 16 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.550 1.157 18437
4452 1 16 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.238 -0.926 18437
4453 1 16 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.607 0.315 18437
4454 1 16 . 1 1 41 41 ALA H H 112 8.900 8.900 8.524 0.376 18437
4455 1 16 . 1 1 42 42 PHE N N 113 116.476 116.476 121.502 -5.026 18437
4456 1 16 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.883 -0.225 18437
4457 1 16 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.434 1.238 18437
4458 1 16 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.618 -3.225 18437
4459 1 16 . 1 1 42 42 PHE H H 113 9.220 9.220 8.641 0.579 18437
4460 1 16 . 1 1 43 43 ARG N N 114 117.116 117.116 123.773 -6.657 18437
4461 1 16 . 1 1 43 43 ARG HA H 114 5.640 5.640 5.024 0.616 18437
4462 1 16 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.840 -0.770 18437
4463 1 16 . 1 1 43 43 ARG CB C 114 34.900 34.900 30.732 4.168 18437
4464 1 16 . 1 1 43 43 ARG H H 114 9.145 9.145 8.587 0.558 18437
4465 1 16 . 1 1 44 44 VAL N N 115 113.755 113.755 118.503 -4.748 18437
4466 1 16 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.728 0.125 18437
4467 1 16 . 1 1 44 44 VAL CA C 115 58.772 58.772 59.307 -0.535 18437
4468 1 16 . 1 1 44 44 VAL CB C 115 37.500 37.500 35.420 2.080 18437
4469 1 16 . 1 1 44 44 VAL H H 115 8.441 8.441 8.699 -0.258 18437
4470 1 16 . 1 1 45 45 SER N N 116 115.947 115.947 115.252 0.695 18437
4471 1 16 . 1 1 45 45 SER HA H 116 4.530 4.530 4.507 0.023 18437
4472 1 16 . 1 1 45 45 SER CA C 116 58.168 58.168 58.083 0.085 18437
4473 1 16 . 1 1 45 45 SER CB C 116 64.399 64.399 63.608 0.791 18437
4474 1 16 . 1 1 45 45 SER H H 116 8.723 8.723 8.500 0.223 18437
4475 1 16 . 1 1 46 46 ALA N N 117 123.625 123.625 126.835 -3.210 18437
4476 1 16 . 1 1 46 46 ALA HA H 117 3.980 3.980 3.942 0.038 18437
4477 1 16 . 1 1 46 46 ALA CA C 117 55.772 55.772 55.473 0.299 18437
4478 1 16 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.688 -0.578 18437
4479 1 16 . 1 1 46 46 ALA H H 117 9.143 9.143 8.284 0.859 18437
4480 1 16 . 1 1 47 47 GLY N N 118 106.332 106.332 104.381 1.951 18437
4481 1 16 . 1 1 47 47 GLY CA C 118 46.900 46.900 46.105 0.795 18437
4482 1 16 . 1 1 47 47 GLY H H 118 8.937 8.937 8.475 0.462 18437
4483 1 16 . 1 1 48 48 VAL N N 119 124.965 124.965 123.022 1.943 18437
4484 1 16 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.761 0.082 18437
4485 1 16 . 1 1 48 48 VAL CA C 119 65.816 65.816 65.333 0.483 18437
4486 1 16 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.423 0.544 18437
4487 1 16 . 1 1 48 48 VAL H H 119 7.376 7.376 7.536 -0.160 18437
4488 1 16 . 1 1 49 49 ALA N N 120 122.605 122.605 121.918 0.687 18437
4489 1 16 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.912 -0.240 18437
4490 1 16 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.383 0.089 18437
4491 1 16 . 1 1 49 49 ALA CB C 120 18.454 18.454 17.980 0.475 18437
4492 1 16 . 1 1 49 49 ALA H H 120 8.805 8.805 8.428 0.377 18437
4493 1 16 . 1 1 50 50 ALA N N 121 119.852 119.852 120.290 -0.438 18437
4494 1 16 . 1 1 50 50 ALA HA H 121 4.088 4.088 4.009 0.079 18437
4495 1 16 . 1 1 50 50 ALA CA C 121 54.946 54.946 54.915 0.031 18437
4496 1 16 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.294 -0.617 18437
4497 1 16 . 1 1 50 50 ALA H H 121 7.976 7.976 7.899 0.077 18437
4498 1 16 . 1 1 51 51 GLU N N 122 118.977 118.977 118.462 0.515 18437
4499 1 16 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.168 -0.022 18437
4500 1 16 . 1 1 51 51 GLU CA C 122 59.272 59.272 58.697 0.575 18437
4501 1 16 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.479 0.221 18437
4502 1 16 . 1 1 51 51 GLU H H 122 7.369 7.369 7.715 -0.346 18437
4503 1 16 . 1 1 52 52 MET N N 123 116.735 116.735 117.564 -0.829 18437
4504 1 16 . 1 1 52 52 MET HA H 123 3.941 3.941 4.181 -0.240 18437
4505 1 16 . 1 1 52 52 MET CA C 123 60.416 60.416 58.126 2.290 18437
4506 1 16 . 1 1 52 52 MET CB C 123 33.973 33.973 31.729 2.244 18437
4507 1 16 . 1 1 52 52 MET H H 123 8.794 8.794 8.014 0.780 18437
4508 1 16 . 1 1 53 53 THR N N 124 112.866 112.866 110.132 2.734 18437
4509 1 16 . 1 1 53 53 THR HA H 124 4.605 4.605 4.336 0.269 18437
4510 1 16 . 1 1 53 53 THR CA C 124 64.742 64.742 64.975 -0.234 18437
4511 1 16 . 1 1 53 53 THR CB C 124 68.392 68.392 68.690 -0.298 18437
4512 1 16 . 1 1 53 53 THR H H 124 8.622 8.622 8.206 0.416 18437
4513 1 16 . 1 1 54 54 GLU N N 125 125.722 125.722 120.627 5.095 18437
4514 1 16 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.132 0.011 18437
4515 1 16 . 1 1 54 54 GLU CA C 125 59.639 59.639 58.244 1.395 18437
4516 1 16 . 1 1 54 54 GLU H H 125 8.054 8.054 7.512 0.542 18437
4517 1 16 . 1 1 55 55 ARG N N 126 114.393 114.393 117.638 -3.245 18437
4518 1 16 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.273 0.100 18437
4519 1 16 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.864 -0.391 18437
4520 1 16 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.715 1.085 18437
4521 1 16 . 1 1 55 55 ARG H H 126 7.703 7.703 7.859 -0.156 18437
4522 1 16 . 1 1 56 56 GLY N N 127 107.070 107.070 105.375 1.695 18437
4523 1 16 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.471 0.729 18437
4524 1 16 . 1 1 56 56 GLY H H 127 7.759 7.759 8.200 -0.441 18437
4525 1 16 . 1 1 57 57 LEU N N 128 116.338 116.338 117.506 -1.168 18437
4526 1 16 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.659 -0.288 18437
4527 1 16 . 1 1 57 57 LEU CA C 128 55.572 55.572 54.786 0.786 18437
4528 1 16 . 1 1 57 57 LEU CB C 128 42.427 42.427 43.258 -0.831 18437
4529 1 16 . 1 1 57 57 LEU H H 128 8.293 8.293 7.651 0.642 18437
4530 1 16 . 1 1 58 58 ALA N N 129 116.379 116.379 119.147 -2.768 18437
4531 1 16 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.896 0.234 18437
4532 1 16 . 1 1 58 58 ALA CA C 129 50.142 50.142 50.852 -0.710 18437
4533 1 16 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.415 0.893 18437
4534 1 16 . 1 1 58 58 ALA H H 129 7.351 7.351 7.427 -0.076 18437
4535 1 16 . 1 1 59 59 ARG N N 130 115.969 115.969 120.784 -4.815 18437
4536 1 16 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.858 0.064 18437
4537 1 16 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.502 -1.313 18437
4538 1 16 . 1 1 59 59 ARG CB C 130 33.453 33.453 34.578 -1.125 18437
4539 1 16 . 1 1 59 59 ARG H H 130 8.771 8.771 8.639 0.132 18437
4540 1 16 . 1 1 60 60 MET N N 131 120.973 120.973 123.679 -2.706 18437
4541 1 16 . 1 1 60 60 MET HA H 131 4.415 4.415 4.345 0.070 18437
4542 1 16 . 1 1 60 60 MET CA C 131 55.677 55.677 56.782 -1.105 18437
4543 1 16 . 1 1 60 60 MET CB C 131 31.527 31.527 31.998 -0.471 18437
4544 1 16 . 1 1 60 60 MET H H 131 8.910 8.910 8.713 0.197 18437
4545 1 17 . 1 1 2 2 ASP N N 73 119.729 119.729 117.434 2.295 18437
4546 1 17 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.701 -0.081 18437
4547 1 17 . 1 1 2 2 ASP CA C 73 54.246 54.246 54.972 -0.726 18437
4548 1 17 . 1 1 2 2 ASP CB C 73 41.077 41.077 41.659 -0.582 18437
4549 1 17 . 1 1 2 2 ASP H H 73 8.508 8.508 8.603 -0.095 18437
4550 1 17 . 1 1 3 3 THR N N 74 114.613 114.613 115.773 -1.160 18437
4551 1 17 . 1 1 3 3 THR HA H 74 4.328 4.328 4.522 -0.194 18437
4552 1 17 . 1 1 3 3 THR CA C 74 62.046 62.046 62.340 -0.294 18437
4553 1 17 . 1 1 3 3 THR CB C 74 69.779 69.779 71.186 -1.407 18437
4554 1 17 . 1 1 3 3 THR H H 74 8.047 8.047 7.884 0.163 18437
4555 1 17 . 1 1 4 4 VAL N N 75 123.803 123.803 121.758 2.045 18437
4556 1 17 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.856 0.267 18437
4557 1 17 . 1 1 4 4 VAL CA C 75 62.272 62.272 62.745 -0.473 18437
4558 1 17 . 1 1 4 4 VAL CB C 75 32.873 32.873 31.199 1.674 18437
4559 1 17 . 1 1 4 4 VAL H H 75 8.225 8.225 8.034 0.191 18437
4560 1 17 . 1 1 5 5 ILE N N 76 126.050 126.050 122.105 3.945 18437
4561 1 17 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.439 -0.267 18437
4562 1 17 . 1 1 5 5 ILE CA C 76 60.469 60.469 60.110 0.359 18437
4563 1 17 . 1 1 5 5 ILE CB C 76 38.570 38.570 37.009 1.561 18437
4564 1 17 . 1 1 5 5 ILE H H 76 8.349 8.349 7.855 0.494 18437
4565 1 17 . 1 1 6 6 LEU N N 77 127.505 127.505 127.854 -0.349 18437
4566 1 17 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.670 -0.296 18437
4567 1 17 . 1 1 6 6 LEU CA C 77 55.042 55.042 55.145 -0.103 18437
4568 1 17 . 1 1 6 6 LEU CB C 77 42.700 42.700 43.520 -0.820 18437
4569 1 17 . 1 1 6 6 LEU H H 77 8.408 8.408 8.434 -0.026 18437
4570 1 17 . 1 1 7 7 ASP N N 78 122.422 122.422 123.389 -0.967 18437
4571 1 17 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.783 0.026 18437
4572 1 17 . 1 1 7 7 ASP CA C 78 53.746 53.746 54.397 -0.651 18437
4573 1 17 . 1 1 7 7 ASP CB C 78 41.327 41.327 41.546 -0.219 18437
4574 1 17 . 1 1 7 7 ASP H H 78 8.468 8.468 8.586 -0.118 18437
4575 1 17 . 1 1 8 8 THR N N 79 115.682 115.682 111.480 4.202 18437
4576 1 17 . 1 1 8 8 THR HA H 79 4.237 4.237 4.603 -0.366 18437
4577 1 17 . 1 1 8 8 THR CA C 79 62.272 62.272 60.453 1.819 18437
4578 1 17 . 1 1 8 8 THR CB C 79 68.766 68.766 71.383 -2.617 18437
4579 1 17 . 1 1 8 8 THR H H 79 8.447 8.447 7.521 0.926 18437
4580 1 17 . 1 1 9 9 SER N N 80 118.485 118.485 117.494 0.991 18437
4581 1 17 . 1 1 9 9 SER HA H 80 4.349 4.349 4.592 -0.243 18437
4582 1 17 . 1 1 9 9 SER CA C 80 60.346 60.346 57.745 2.601 18437
4583 1 17 . 1 1 9 9 SER CB C 80 63.372 63.372 64.674 -1.302 18437
4584 1 17 . 1 1 9 9 SER H H 80 8.521 8.521 8.232 0.289 18437
4585 1 17 . 1 1 10 10 GLU N N 81 121.082 121.082 121.350 -0.268 18437
4586 1 17 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.082 0.317 18437
4587 1 17 . 1 1 10 10 GLU CA C 81 55.946 55.946 56.093 -0.147 18437
4588 1 17 . 1 1 10 10 GLU CB C 81 30.073 30.073 29.352 0.721 18437
4589 1 17 . 1 1 10 10 GLU H H 81 8.192 8.192 8.455 -0.263 18437
4590 1 17 . 1 1 11 11 LEU N N 82 120.855 120.855 122.052 -1.197 18437
4591 1 17 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.395 0.091 18437
4592 1 17 . 1 1 11 11 LEU CA C 82 54.319 54.319 55.768 -1.449 18437
4593 1 17 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.412 0.890 18437
4594 1 17 . 1 1 11 11 LEU H H 82 7.804 7.804 8.245 -0.441 18437
4595 1 17 . 1 1 12 12 VAL N N 83 119.700 119.700 118.526 1.174 18437
4596 1 17 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.538 -0.109 18437
4597 1 17 . 1 1 12 12 VAL CA C 83 60.069 60.069 60.219 -0.151 18437
4598 1 17 . 1 1 12 12 VAL CB C 83 34.830 34.830 34.924 -0.094 18437
4599 1 17 . 1 1 12 12 VAL H H 83 9.270 9.270 8.959 0.311 18437
4600 1 17 . 1 1 13 13 THR N N 84 118.866 118.866 122.744 -3.878 18437
4601 1 17 . 1 1 13 13 THR HA H 84 4.838 4.838 4.233 0.605 18437
4602 1 17 . 1 1 13 13 THR CA C 84 62.246 62.246 63.364 -1.118 18437
4603 1 17 . 1 1 13 13 THR CB C 84 68.463 68.463 69.193 -0.730 18437
4604 1 17 . 1 1 13 13 THR H H 84 8.380 8.380 8.558 -0.178 18437
4605 1 17 . 1 1 14 14 VAL N N 85 120.684 120.684 128.367 -7.683 18437
4606 1 17 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.234 0.552 18437
4607 1 17 . 1 1 14 14 VAL CA C 85 57.719 57.719 60.791 -3.072 18437
4608 1 17 . 1 1 14 14 VAL CB C 85 35.000 35.000 35.715 -0.715 18437
4609 1 17 . 1 1 14 14 VAL H H 85 8.678 8.678 8.185 0.493 18437
4610 1 17 . 1 1 15 15 VAL N N 86 116.897 116.897 129.061 -12.164 18437
4611 1 17 . 1 1 15 15 VAL HA H 86 4.583 4.583 5.046 -0.463 18437
4612 1 17 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.437 2.109 18437
4613 1 17 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.599 -0.899 18437
4614 1 17 . 1 1 15 15 VAL H H 86 8.926 8.926 8.894 0.032 18437
4615 1 17 . 1 1 16 16 ALA N N 87 127.774 127.774 131.061 -3.287 18437
4616 1 17 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.516 -0.159 18437
4617 1 17 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.425 1.102 18437
4618 1 17 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.761 -0.513 18437
4619 1 17 . 1 1 16 16 ALA H H 87 8.508 8.508 8.409 0.099 18437
4620 1 17 . 1 1 17 17 LEU N N 88 122.162 122.162 122.096 0.066 18437
4621 1 17 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.573 -0.008 18437
4622 1 17 . 1 1 17 17 LEU CA C 88 55.019 55.019 56.079 -1.060 18437
4623 1 17 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.563 0.137 18437
4624 1 17 . 1 1 17 17 LEU H H 88 9.104 9.104 8.970 0.134 18437
4625 1 17 . 1 1 18 18 VAL N N 89 112.263 112.263 112.468 -0.205 18437
4626 1 17 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.479 0.053 18437
4627 1 17 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.574 -1.128 18437
4628 1 17 . 1 1 18 18 VAL CB C 89 36.300 36.300 35.093 1.207 18437
4629 1 17 . 1 1 18 18 VAL H H 89 7.444 7.444 7.553 -0.109 18437
4630 1 17 . 1 1 19 19 LYS N N 90 118.799 118.799 122.688 -3.889 18437
4631 1 17 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.204 0.378 18437
4632 1 17 . 1 1 19 19 LYS CA C 90 56.946 56.946 57.233 -0.288 18437
4633 1 17 . 1 1 19 19 LYS CB C 90 32.573 32.573 31.093 1.480 18437
4634 1 17 . 1 1 19 19 LYS H H 90 8.198 8.198 8.388 -0.190 18437
4635 1 17 . 1 1 20 20 LEU N N 91 124.814 124.814 125.925 -1.111 18437
4636 1 17 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.751 -0.001 18437
4637 1 17 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.524 -0.392 18437
4638 1 17 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.551 -0.151 18437
4639 1 17 . 1 1 20 20 LEU H H 91 8.351 8.351 7.875 0.476 18437
4640 1 17 . 1 1 21 21 HIS N N 92 121.971 121.971 123.300 -1.329 18437
4641 1 17 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.863 0.249 18437
4642 1 17 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.017 0.536 18437
4643 1 17 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.194 0.033 18437
4644 1 17 . 1 1 21 21 HIS H H 92 8.555 8.555 8.572 -0.017 18437
4645 1 17 . 1 1 22 22 THR N N 93 119.332 119.332 117.602 1.730 18437
4646 1 17 . 1 1 22 22 THR HA H 93 4.492 4.492 4.492 -0.000 18437
4647 1 17 . 1 1 22 22 THR CA C 93 59.546 59.546 60.460 -0.914 18437
4648 1 17 . 1 1 22 22 THR CB C 93 69.472 69.472 70.441 -0.969 18437
4649 1 17 . 1 1 22 22 THR H H 93 8.182 8.182 7.972 0.210 18437
4650 1 17 . 1 1 23 23 ASP N N 94 121.861 121.861 127.378 -5.517 18437
4651 1 17 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.196 -0.217 18437
4652 1 17 . 1 1 23 23 ASP CA C 94 53.673 53.673 52.832 0.841 18437
4653 1 17 . 1 1 23 23 ASP CB C 94 41.027 41.027 40.953 0.074 18437
4654 1 17 . 1 1 23 23 ASP H H 94 8.133 8.133 8.480 -0.347 18437
4655 1 17 . 1 1 24 24 ALA N N 95 125.785 125.785 127.591 -1.806 18437
4656 1 17 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.713 0.440 18437
4657 1 17 . 1 1 24 24 ALA CA C 95 50.916 50.916 50.961 -0.045 18437
4658 1 17 . 1 1 24 24 ALA CB C 95 24.090 24.090 21.772 2.318 18437
4659 1 17 . 1 1 24 24 ALA H H 95 7.992 7.992 8.436 -0.444 18437
4660 1 17 . 1 1 25 25 LEU N N 96 120.726 120.726 125.347 -4.621 18437
4661 1 17 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.480 0.831 18437
4662 1 17 . 1 1 25 25 LEU CA C 96 53.416 53.416 53.775 -0.359 18437
4663 1 17 . 1 1 25 25 LEU CB C 96 46.000 46.000 42.530 3.470 18437
4664 1 17 . 1 1 25 25 LEU H H 96 8.661 8.661 8.599 0.062 18437
4665 1 17 . 1 1 26 26 HIS N N 97 121.175 121.175 125.468 -4.293 18437
4666 1 17 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.373 -0.104 18437
4667 1 17 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.797 1.519 18437
4668 1 17 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.833 0.140 18437
4669 1 17 . 1 1 26 26 HIS H H 97 8.725 8.725 8.086 0.639 18437
4670 1 17 . 1 1 27 27 ALA N N 98 126.618 126.618 130.221 -3.603 18437
4671 1 17 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.317 -0.558 18437
4672 1 17 . 1 1 27 27 ALA CA C 98 56.672 56.672 54.008 2.664 18437
4673 1 17 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.195 0.182 18437
4674 1 17 . 1 1 27 27 ALA H H 98 8.260 8.260 8.621 -0.361 18437
4675 1 17 . 1 1 28 28 THR N N 99 107.369 107.369 111.811 -4.442 18437
4676 1 17 . 1 1 28 28 THR HA H 99 4.584 4.584 4.155 0.429 18437
4677 1 17 . 1 1 28 28 THR CA C 99 61.872 61.872 63.140 -1.268 18437
4678 1 17 . 1 1 28 28 THR CB C 99 70.442 70.442 69.193 1.249 18437
4679 1 17 . 1 1 28 28 THR H H 99 10.304 10.304 8.096 2.208 18437
4680 1 17 . 1 1 29 29 ARG N N 100 124.395 124.395 120.087 4.308 18437
4681 1 17 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.457 0.110 18437
4682 1 17 . 1 1 29 29 ARG CA C 100 55.246 55.246 54.555 0.691 18437
4683 1 17 . 1 1 29 29 ARG CB C 100 32.673 32.673 31.160 1.513 18437
4684 1 17 . 1 1 29 29 ARG H H 100 9.037 9.037 7.692 1.345 18437
4685 1 17 . 1 1 30 30 ASP N N 101 124.596 124.596 120.440 4.156 18437
4686 1 17 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.796 -0.063 18437
4687 1 17 . 1 1 30 30 ASP CA C 101 52.916 52.916 53.794 -0.878 18437
4688 1 17 . 1 1 30 30 ASP CB C 101 38.097 38.097 40.579 -2.482 18437
4689 1 17 . 1 1 30 30 ASP H H 101 8.898 8.898 8.479 0.419 18437
4690 1 17 . 1 1 31 31 GLU N N 102 121.916 121.916 121.964 -0.048 18437
4691 1 17 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.632 0.286 18437
4692 1 17 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.194 -1.649 18437
4693 1 17 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.363 0.699 18437
4694 1 17 . 1 1 31 31 GLU H H 102 7.876 7.876 8.240 -0.364 18437
4695 1 17 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.431 0.668 18437
4696 1 17 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.481 0.208 18437
4697 1 17 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.685 0.455 18437
4698 1 17 . 1 1 33 33 VAL N N 104 118.661 118.661 120.179 -1.518 18437
4699 1 17 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.173 0.230 18437
4700 1 17 . 1 1 33 33 VAL CA C 104 61.216 61.216 61.122 0.094 18437
4701 1 17 . 1 1 33 33 VAL CB C 104 35.543 35.543 33.234 2.309 18437
4702 1 17 . 1 1 33 33 VAL H H 104 8.362 8.362 8.225 0.137 18437
4703 1 17 . 1 1 34 34 ALA N N 105 126.902 126.902 129.569 -2.667 18437
4704 1 17 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.534 0.636 18437
4705 1 17 . 1 1 34 34 ALA CA C 105 51.622 51.622 52.468 -0.846 18437
4706 1 17 . 1 1 34 34 ALA CB C 105 21.017 21.017 21.167 -0.150 18437
4707 1 17 . 1 1 34 34 ALA H H 105 8.726 8.726 8.411 0.315 18437
4708 1 17 . 1 1 35 35 PHE N N 106 119.156 119.156 113.970 5.186 18437
4709 1 17 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.577 0.659 18437
4710 1 17 . 1 1 35 35 PHE CA C 106 56.646 56.646 55.347 1.299 18437
4711 1 17 . 1 1 35 35 PHE CB C 106 41.300 41.300 40.369 0.931 18437
4712 1 17 . 1 1 35 35 PHE H H 106 7.597 7.597 6.992 0.605 18437
4713 1 17 . 1 1 36 36 VAL N N 107 120.344 120.344 118.310 2.034 18437
4714 1 17 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.341 -0.122 18437
4715 1 17 . 1 1 36 36 VAL CA C 107 59.546 59.546 59.741 -0.195 18437
4716 1 17 . 1 1 36 36 VAL CB C 107 35.200 35.200 34.169 1.030 18437
4717 1 17 . 1 1 36 36 VAL H H 107 8.267 8.267 8.476 -0.209 18437
4718 1 17 . 1 1 37 37 LEU N N 108 121.820 121.820 120.632 1.188 18437
4719 1 17 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.905 -0.476 18437
4720 1 17 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.918 -0.052 18437
4721 1 17 . 1 1 37 37 LEU CB C 108 41.100 41.100 43.389 -2.289 18437
4722 1 17 . 1 1 37 37 LEU H H 108 7.737 7.737 8.415 -0.678 18437
4723 1 17 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.538 -0.827 18437
4724 1 17 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.535 0.137 18437
4725 1 17 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.343 0.730 18437
4726 1 17 . 1 1 39 39 GLY N N 110 112.032 112.032 111.798 0.234 18437
4727 1 17 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.289 -0.446 18437
4728 1 17 . 1 1 39 39 GLY H H 110 9.026 9.026 8.361 0.665 18437
4729 1 17 . 1 1 40 40 THR N N 111 119.141 119.141 119.859 -0.718 18437
4730 1 17 . 1 1 40 40 THR HA H 111 4.330 4.330 4.501 -0.171 18437
4731 1 17 . 1 1 40 40 THR CA C 111 63.346 63.346 62.862 0.484 18437
4732 1 17 . 1 1 40 40 THR CB C 111 69.512 69.512 70.200 -0.688 18437
4733 1 17 . 1 1 40 40 THR H H 111 8.039 8.039 7.970 0.069 18437
4734 1 17 . 1 1 41 41 ALA N N 112 131.125 131.125 129.263 1.862 18437
4735 1 17 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.565 1.142 18437
4736 1 17 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.133 -0.821 18437
4737 1 17 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.562 0.360 18437
4738 1 17 . 1 1 41 41 ALA H H 112 8.900 8.900 8.620 0.280 18437
4739 1 17 . 1 1 42 42 PHE N N 113 116.476 116.476 121.568 -5.092 18437
4740 1 17 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.884 -0.226 18437
4741 1 17 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.404 1.268 18437
4742 1 17 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.627 -3.234 18437
4743 1 17 . 1 1 42 42 PHE H H 113 9.220 9.220 8.620 0.600 18437
4744 1 17 . 1 1 43 43 ARG N N 114 117.116 117.116 123.658 -6.542 18437
4745 1 17 . 1 1 43 43 ARG HA H 114 5.640 5.640 5.096 0.544 18437
4746 1 17 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.707 -0.637 18437
4747 1 17 . 1 1 43 43 ARG CB C 114 34.900 34.900 31.051 3.849 18437
4748 1 17 . 1 1 43 43 ARG H H 114 9.145 9.145 8.547 0.598 18437
4749 1 17 . 1 1 44 44 VAL N N 115 113.755 113.755 117.787 -4.032 18437
4750 1 17 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.616 0.237 18437
4751 1 17 . 1 1 44 44 VAL CA C 115 58.772 58.772 58.449 0.323 18437
4752 1 17 . 1 1 44 44 VAL CB C 115 37.500 37.500 34.980 2.520 18437
4753 1 17 . 1 1 44 44 VAL H H 115 8.441 8.441 8.675 -0.234 18437
4754 1 17 . 1 1 45 45 SER N N 116 115.947 115.947 114.781 1.166 18437
4755 1 17 . 1 1 45 45 SER HA H 116 4.530 4.530 4.510 0.020 18437
4756 1 17 . 1 1 45 45 SER CA C 116 58.168 58.168 57.829 0.339 18437
4757 1 17 . 1 1 45 45 SER CB C 116 64.399 64.399 64.317 0.082 18437
4758 1 17 . 1 1 45 45 SER H H 116 8.723 8.723 8.428 0.295 18437
4759 1 17 . 1 1 46 46 ALA N N 117 123.625 123.625 127.454 -3.829 18437
4760 1 17 . 1 1 46 46 ALA HA H 117 3.980 3.980 4.099 -0.119 18437
4761 1 17 . 1 1 46 46 ALA CA C 117 55.772 55.772 54.833 0.939 18437
4762 1 17 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.729 -0.619 18437
4763 1 17 . 1 1 46 46 ALA H H 117 9.143 9.143 8.452 0.691 18437
4764 1 17 . 1 1 47 47 GLY N N 118 106.332 106.332 106.852 -0.520 18437
4765 1 17 . 1 1 47 47 GLY CA C 118 46.900 46.900 46.398 0.503 18437
4766 1 17 . 1 1 47 47 GLY H H 118 8.937 8.937 7.672 1.265 18437
4767 1 17 . 1 1 48 48 VAL N N 119 124.965 124.965 123.517 1.448 18437
4768 1 17 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.798 0.045 18437
4769 1 17 . 1 1 48 48 VAL CA C 119 65.816 65.816 63.817 1.999 18437
4770 1 17 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.256 0.710 18437
4771 1 17 . 1 1 48 48 VAL H H 119 7.376 7.376 7.651 -0.275 18437
4772 1 17 . 1 1 49 49 ALA N N 120 122.605 122.605 121.473 1.132 18437
4773 1 17 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.912 -0.240 18437
4774 1 17 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.300 0.172 18437
4775 1 17 . 1 1 49 49 ALA CB C 120 18.454 18.454 17.872 0.582 18437
4776 1 17 . 1 1 49 49 ALA H H 120 8.805 8.805 8.104 0.701 18437
4777 1 17 . 1 1 50 50 ALA N N 121 119.852 119.852 120.231 -0.379 18437
4778 1 17 . 1 1 50 50 ALA HA H 121 4.088 4.088 3.997 0.091 18437
4779 1 17 . 1 1 50 50 ALA CA C 121 54.946 54.946 54.951 -0.005 18437
4780 1 17 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.214 -0.536 18437
4781 1 17 . 1 1 50 50 ALA H H 121 7.976 7.976 7.860 0.116 18437
4782 1 17 . 1 1 51 51 GLU N N 122 118.977 118.977 118.149 0.828 18437
4783 1 17 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.119 0.027 18437
4784 1 17 . 1 1 51 51 GLU CA C 122 59.272 59.272 59.030 0.242 18437
4785 1 17 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.657 0.043 18437
4786 1 17 . 1 1 51 51 GLU H H 122 7.369 7.369 7.736 -0.367 18437
4787 1 17 . 1 1 52 52 MET N N 123 116.735 116.735 117.981 -1.246 18437
4788 1 17 . 1 1 52 52 MET HA H 123 3.941 3.941 4.242 -0.301 18437
4789 1 17 . 1 1 52 52 MET CA C 123 60.416 60.416 58.179 2.237 18437
4790 1 17 . 1 1 52 52 MET CB C 123 33.973 33.973 31.721 2.252 18437
4791 1 17 . 1 1 52 52 MET H H 123 8.794 8.794 8.080 0.714 18437
4792 1 17 . 1 1 53 53 THR N N 124 112.866 112.866 110.647 2.219 18437
4793 1 17 . 1 1 53 53 THR HA H 124 4.605 4.605 4.356 0.249 18437
4794 1 17 . 1 1 53 53 THR CA C 124 64.742 64.742 65.482 -0.740 18437
4795 1 17 . 1 1 53 53 THR CB C 124 68.392 68.392 68.624 -0.232 18437
4796 1 17 . 1 1 53 53 THR H H 124 8.622 8.622 8.298 0.324 18437
4797 1 17 . 1 1 54 54 GLU N N 125 125.722 125.722 120.305 5.417 18437
4798 1 17 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.187 -0.044 18437
4799 1 17 . 1 1 54 54 GLU CA C 125 59.639 59.639 57.974 1.665 18437
4800 1 17 . 1 1 54 54 GLU H H 125 8.054 8.054 7.553 0.501 18437
4801 1 17 . 1 1 55 55 ARG N N 126 114.393 114.393 117.391 -2.998 18437
4802 1 17 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.334 0.039 18437
4803 1 17 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.441 0.031 18437
4804 1 17 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.814 0.986 18437
4805 1 17 . 1 1 55 55 ARG H H 126 7.703 7.703 7.980 -0.277 18437
4806 1 17 . 1 1 56 56 GLY N N 127 107.070 107.070 106.438 0.632 18437
4807 1 17 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.847 0.353 18437
4808 1 17 . 1 1 56 56 GLY H H 127 7.759 7.759 7.794 -0.035 18437
4809 1 17 . 1 1 57 57 LEU N N 128 116.338 116.338 117.349 -1.011 18437
4810 1 17 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.613 -0.242 18437
4811 1 17 . 1 1 57 57 LEU CA C 128 55.572 55.572 54.754 0.818 18437
4812 1 17 . 1 1 57 57 LEU CB C 128 42.427 42.427 43.031 -0.604 18437
4813 1 17 . 1 1 57 57 LEU H H 128 8.293 8.293 7.338 0.955 18437
4814 1 17 . 1 1 58 58 ALA N N 129 116.379 116.379 119.103 -2.724 18437
4815 1 17 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.978 0.152 18437
4816 1 17 . 1 1 58 58 ALA CA C 129 50.142 50.142 50.893 -0.751 18437
4817 1 17 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.452 0.856 18437
4818 1 17 . 1 1 58 58 ALA H H 129 7.351 7.351 7.397 -0.046 18437
4819 1 17 . 1 1 59 59 ARG N N 130 115.969 115.969 120.874 -4.905 18437
4820 1 17 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.870 0.052 18437
4821 1 17 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.348 -1.159 18437
4822 1 17 . 1 1 59 59 ARG CB C 130 33.453 33.453 34.681 -1.228 18437
4823 1 17 . 1 1 59 59 ARG H H 130 8.771 8.771 8.744 0.027 18437
4824 1 17 . 1 1 60 60 MET N N 131 120.973 120.973 123.329 -2.356 18437
4825 1 17 . 1 1 60 60 MET HA H 131 4.415 4.415 4.448 -0.033 18437
4826 1 17 . 1 1 60 60 MET CA C 131 55.677 55.677 56.383 -0.706 18437
4827 1 17 . 1 1 60 60 MET CB C 131 31.527 31.527 32.109 -0.582 18437
4828 1 17 . 1 1 60 60 MET H H 131 8.910 8.910 8.680 0.230 18437
4829 1 18 . 1 1 2 2 ASP N N 73 119.729 119.729 119.904 -0.175 18437
4830 1 18 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.704 -0.084 18437
4831 1 18 . 1 1 2 2 ASP CA C 73 54.246 54.246 54.049 0.197 18437
4832 1 18 . 1 1 2 2 ASP CB C 73 41.077 41.077 41.665 -0.588 18437
4833 1 18 . 1 1 2 2 ASP H H 73 8.508 8.508 8.457 0.051 18437
4834 1 18 . 1 1 3 3 THR N N 74 114.613 114.613 114.923 -0.310 18437
4835 1 18 . 1 1 3 3 THR HA H 74 4.328 4.328 4.411 -0.083 18437
4836 1 18 . 1 1 3 3 THR CA C 74 62.046 62.046 62.084 -0.038 18437
4837 1 18 . 1 1 3 3 THR CB C 74 69.779 69.779 69.751 0.028 18437
4838 1 18 . 1 1 3 3 THR H H 74 8.047 8.047 7.719 0.328 18437
4839 1 18 . 1 1 4 4 VAL N N 75 123.803 123.803 121.056 2.747 18437
4840 1 18 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.881 0.242 18437
4841 1 18 . 1 1 4 4 VAL CA C 75 62.272 62.272 62.172 0.100 18437
4842 1 18 . 1 1 4 4 VAL CB C 75 32.873 32.873 30.425 2.448 18437
4843 1 18 . 1 1 4 4 VAL H H 75 8.225 8.225 7.932 0.293 18437
4844 1 18 . 1 1 5 5 ILE N N 76 126.050 126.050 121.421 4.629 18437
4845 1 18 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.436 -0.264 18437
4846 1 18 . 1 1 5 5 ILE CA C 76 60.469 60.469 59.826 0.643 18437
4847 1 18 . 1 1 5 5 ILE CB C 76 38.570 38.570 38.337 0.233 18437
4848 1 18 . 1 1 5 5 ILE H H 76 8.349 8.349 7.693 0.656 18437
4849 1 18 . 1 1 6 6 LEU N N 77 127.505 127.505 128.657 -1.152 18437
4850 1 18 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.632 -0.258 18437
4851 1 18 . 1 1 6 6 LEU CA C 77 55.042 55.042 54.620 0.422 18437
4852 1 18 . 1 1 6 6 LEU CB C 77 42.700 42.700 42.521 0.179 18437
4853 1 18 . 1 1 6 6 LEU H H 77 8.408 8.408 8.508 -0.100 18437
4854 1 18 . 1 1 7 7 ASP N N 78 122.422 122.422 127.145 -4.723 18437
4855 1 18 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.962 -0.153 18437
4856 1 18 . 1 1 7 7 ASP CA C 78 53.746 53.746 54.318 -0.572 18437
4857 1 18 . 1 1 7 7 ASP CB C 78 41.327 41.327 41.613 -0.286 18437
4858 1 18 . 1 1 7 7 ASP H H 78 8.468 8.468 8.758 -0.290 18437
4859 1 18 . 1 1 8 8 THR N N 79 115.682 115.682 112.582 3.100 18437
4860 1 18 . 1 1 8 8 THR HA H 79 4.237 4.237 4.755 -0.518 18437
4861 1 18 . 1 1 8 8 THR CA C 79 62.272 62.272 61.043 1.229 18437
4862 1 18 . 1 1 8 8 THR CB C 79 68.766 68.766 70.430 -1.663 18437
4863 1 18 . 1 1 8 8 THR H H 79 8.447 8.447 7.969 0.478 18437
4864 1 18 . 1 1 9 9 SER N N 80 118.485 118.485 117.220 1.265 18437
4865 1 18 . 1 1 9 9 SER HA H 80 4.349 4.349 4.707 -0.358 18437
4866 1 18 . 1 1 9 9 SER CA C 80 60.346 60.346 58.583 1.763 18437
4867 1 18 . 1 1 9 9 SER CB C 80 63.372 63.372 63.697 -0.325 18437
4868 1 18 . 1 1 9 9 SER H H 80 8.521 8.521 8.642 -0.121 18437
4869 1 18 . 1 1 10 10 GLU N N 81 121.082 121.082 122.210 -1.128 18437
4870 1 18 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.464 -0.065 18437
4871 1 18 . 1 1 10 10 GLU CA C 81 55.946 55.946 56.055 -0.109 18437
4872 1 18 . 1 1 10 10 GLU CB C 81 30.073 30.073 30.137 -0.064 18437
4873 1 18 . 1 1 10 10 GLU H H 81 8.192 8.192 8.506 -0.314 18437
4874 1 18 . 1 1 11 11 LEU N N 82 120.855 120.855 121.526 -0.671 18437
4875 1 18 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.452 0.034 18437
4876 1 18 . 1 1 11 11 LEU CA C 82 54.319 54.319 55.014 -0.695 18437
4877 1 18 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.878 0.424 18437
4878 1 18 . 1 1 11 11 LEU H H 82 7.804 7.804 7.869 -0.065 18437
4879 1 18 . 1 1 12 12 VAL N N 83 119.700 119.700 118.832 0.868 18437
4880 1 18 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.628 -0.199 18437
4881 1 18 . 1 1 12 12 VAL CA C 83 60.069 60.069 60.235 -0.166 18437
4882 1 18 . 1 1 12 12 VAL CB C 83 34.830 34.830 35.381 -0.551 18437
4883 1 18 . 1 1 12 12 VAL H H 83 9.270 9.270 9.033 0.237 18437
4884 1 18 . 1 1 13 13 THR N N 84 118.866 118.866 122.445 -3.579 18437
4885 1 18 . 1 1 13 13 THR HA H 84 4.838 4.838 4.253 0.585 18437
4886 1 18 . 1 1 13 13 THR CA C 84 62.246 62.246 63.314 -1.068 18437
4887 1 18 . 1 1 13 13 THR CB C 84 68.463 68.463 69.300 -0.837 18437
4888 1 18 . 1 1 13 13 THR H H 84 8.380 8.380 8.536 -0.156 18437
4889 1 18 . 1 1 14 14 VAL N N 85 120.684 120.684 127.732 -7.048 18437
4890 1 18 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.254 0.532 18437
4891 1 18 . 1 1 14 14 VAL CA C 85 57.719 57.719 60.836 -3.117 18437
4892 1 18 . 1 1 14 14 VAL CB C 85 35.000 35.000 35.691 -0.691 18437
4893 1 18 . 1 1 14 14 VAL H H 85 8.678 8.678 8.142 0.536 18437
4894 1 18 . 1 1 15 15 VAL N N 86 116.897 116.897 128.371 -11.474 18437
4895 1 18 . 1 1 15 15 VAL HA H 86 4.583 4.583 5.031 -0.448 18437
4896 1 18 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.756 1.790 18437
4897 1 18 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.379 -0.679 18437
4898 1 18 . 1 1 15 15 VAL H H 86 8.926 8.926 8.487 0.439 18437
4899 1 18 . 1 1 16 16 ALA N N 87 127.774 127.774 130.711 -2.937 18437
4900 1 18 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.460 -0.103 18437
4901 1 18 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.404 1.123 18437
4902 1 18 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.900 -0.652 18437
4903 1 18 . 1 1 16 16 ALA H H 87 8.508 8.508 8.429 0.079 18437
4904 1 18 . 1 1 17 17 LEU N N 88 122.162 122.162 121.355 0.807 18437
4905 1 18 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.637 -0.072 18437
4906 1 18 . 1 1 17 17 LEU CA C 88 55.019 55.019 56.047 -1.028 18437
4907 1 18 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.627 0.073 18437
4908 1 18 . 1 1 17 17 LEU H H 88 9.104 9.104 9.000 0.104 18437
4909 1 18 . 1 1 18 18 VAL N N 89 112.263 112.263 113.694 -1.431 18437
4910 1 18 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.476 0.056 18437
4911 1 18 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.322 -0.876 18437
4912 1 18 . 1 1 18 18 VAL CB C 89 36.300 36.300 34.937 1.363 18437
4913 1 18 . 1 1 18 18 VAL H H 89 7.444 7.444 7.522 -0.078 18437
4914 1 18 . 1 1 19 19 LYS N N 90 118.799 118.799 122.120 -3.321 18437
4915 1 18 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.217 0.365 18437
4916 1 18 . 1 1 19 19 LYS CA C 90 56.946 56.946 57.203 -0.257 18437
4917 1 18 . 1 1 19 19 LYS CB C 90 32.573 32.573 31.173 1.400 18437
4918 1 18 . 1 1 19 19 LYS H H 90 8.198 8.198 8.345 -0.147 18437
4919 1 18 . 1 1 20 20 LEU N N 91 124.814 124.814 126.029 -1.215 18437
4920 1 18 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.778 -0.028 18437
4921 1 18 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.577 -0.445 18437
4922 1 18 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.550 -0.150 18437
4923 1 18 . 1 1 20 20 LEU H H 91 8.351 8.351 7.910 0.441 18437
4924 1 18 . 1 1 21 21 HIS N N 92 121.971 121.971 123.242 -1.271 18437
4925 1 18 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.844 0.268 18437
4926 1 18 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.206 0.347 18437
4927 1 18 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.139 0.088 18437
4928 1 18 . 1 1 21 21 HIS H H 92 8.555 8.555 8.619 -0.064 18437
4929 1 18 . 1 1 22 22 THR N N 93 119.332 119.332 117.673 1.659 18437
4930 1 18 . 1 1 22 22 THR HA H 93 4.492 4.492 4.496 -0.004 18437
4931 1 18 . 1 1 22 22 THR CA C 93 59.546 59.546 60.430 -0.884 18437
4932 1 18 . 1 1 22 22 THR CB C 93 69.472 69.472 70.300 -0.828 18437
4933 1 18 . 1 1 22 22 THR H H 93 8.182 8.182 7.902 0.280 18437
4934 1 18 . 1 1 23 23 ASP N N 94 121.861 121.861 128.227 -6.366 18437
4935 1 18 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.099 -0.120 18437
4936 1 18 . 1 1 23 23 ASP CA C 94 53.673 53.673 53.010 0.663 18437
4937 1 18 . 1 1 23 23 ASP CB C 94 41.027 41.027 41.404 -0.377 18437
4938 1 18 . 1 1 23 23 ASP H H 94 8.133 8.133 8.461 -0.328 18437
4939 1 18 . 1 1 24 24 ALA N N 95 125.785 125.785 127.955 -2.170 18437
4940 1 18 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.658 0.495 18437
4941 1 18 . 1 1 24 24 ALA CA C 95 50.916 50.916 51.081 -0.165 18437
4942 1 18 . 1 1 24 24 ALA CB C 95 24.090 24.090 21.028 3.062 18437
4943 1 18 . 1 1 24 24 ALA H H 95 7.992 7.992 7.734 0.258 18437
4944 1 18 . 1 1 25 25 LEU N N 96 120.726 120.726 124.344 -3.618 18437
4945 1 18 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.429 0.882 18437
4946 1 18 . 1 1 25 25 LEU CA C 96 53.416 53.416 54.188 -0.772 18437
4947 1 18 . 1 1 25 25 LEU CB C 96 46.000 46.000 43.776 2.224 18437
4948 1 18 . 1 1 25 25 LEU H H 96 8.661 8.661 8.384 0.277 18437
4949 1 18 . 1 1 26 26 HIS N N 97 121.175 121.175 123.959 -2.784 18437
4950 1 18 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.451 -0.182 18437
4951 1 18 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.636 1.681 18437
4952 1 18 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.598 0.375 18437
4953 1 18 . 1 1 26 26 HIS H H 97 8.725 8.725 8.085 0.640 18437
4954 1 18 . 1 1 27 27 ALA N N 98 126.618 126.618 130.879 -4.261 18437
4955 1 18 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.315 -0.556 18437
4956 1 18 . 1 1 27 27 ALA CA C 98 56.672 56.672 54.143 2.529 18437
4957 1 18 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.191 0.186 18437
4958 1 18 . 1 1 27 27 ALA H H 98 8.260 8.260 8.824 -0.564 18437
4959 1 18 . 1 1 28 28 THR N N 99 107.369 107.369 109.666 -2.297 18437
4960 1 18 . 1 1 28 28 THR HA H 99 4.584 4.584 4.191 0.393 18437
4961 1 18 . 1 1 28 28 THR CA C 99 61.872 61.872 62.779 -0.907 18437
4962 1 18 . 1 1 28 28 THR CB C 99 70.442 70.442 68.966 1.476 18437
4963 1 18 . 1 1 28 28 THR H H 99 10.304 10.304 8.148 2.156 18437
4964 1 18 . 1 1 29 29 ARG N N 100 124.395 124.395 121.131 3.264 18437
4965 1 18 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.402 0.165 18437
4966 1 18 . 1 1 29 29 ARG CA C 100 55.246 55.246 55.241 0.005 18437
4967 1 18 . 1 1 29 29 ARG CB C 100 32.673 32.673 31.095 1.578 18437
4968 1 18 . 1 1 29 29 ARG H H 100 9.037 9.037 7.969 1.068 18437
4969 1 18 . 1 1 30 30 ASP N N 101 124.596 124.596 121.347 3.249 18437
4970 1 18 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.839 -0.106 18437
4971 1 18 . 1 1 30 30 ASP CA C 101 52.916 52.916 54.126 -1.210 18437
4972 1 18 . 1 1 30 30 ASP CB C 101 38.097 38.097 40.447 -2.349 18437
4973 1 18 . 1 1 30 30 ASP H H 101 8.898 8.898 8.477 0.421 18437
4974 1 18 . 1 1 31 31 GLU N N 102 121.916 121.916 121.004 0.912 18437
4975 1 18 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.677 0.241 18437
4976 1 18 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.177 -1.631 18437
4977 1 18 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.563 0.499 18437
4978 1 18 . 1 1 31 31 GLU H H 102 7.876 7.876 8.367 -0.491 18437
4979 1 18 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.427 0.672 18437
4980 1 18 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.360 0.329 18437
4981 1 18 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.610 0.530 18437
4982 1 18 . 1 1 33 33 VAL N N 104 118.661 118.661 116.371 2.290 18437
4983 1 18 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.148 0.255 18437
4984 1 18 . 1 1 33 33 VAL CA C 104 61.216 61.216 61.416 -0.200 18437
4985 1 18 . 1 1 33 33 VAL CB C 104 35.543 35.543 34.773 0.770 18437
4986 1 18 . 1 1 33 33 VAL H H 104 8.362 8.362 8.098 0.264 18437
4987 1 18 . 1 1 34 34 ALA N N 105 126.902 126.902 128.225 -1.323 18437
4988 1 18 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.591 0.579 18437
4989 1 18 . 1 1 34 34 ALA CA C 105 51.622 51.622 52.044 -0.421 18437
4990 1 18 . 1 1 34 34 ALA CB C 105 21.017 21.017 20.983 0.034 18437
4991 1 18 . 1 1 34 34 ALA H H 105 8.726 8.726 8.394 0.332 18437
4992 1 18 . 1 1 35 35 PHE N N 106 119.156 119.156 116.193 2.963 18437
4993 1 18 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.450 0.786 18437
4994 1 18 . 1 1 35 35 PHE CA C 106 56.646 56.646 56.098 0.548 18437
4995 1 18 . 1 1 35 35 PHE CB C 106 41.300 41.300 40.818 0.482 18437
4996 1 18 . 1 1 35 35 PHE H H 106 7.597 7.597 7.008 0.589 18437
4997 1 18 . 1 1 36 36 VAL N N 107 120.344 120.344 118.840 1.504 18437
4998 1 18 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.334 -0.115 18437
4999 1 18 . 1 1 36 36 VAL CA C 107 59.546 59.546 59.143 0.403 18437
5000 1 18 . 1 1 36 36 VAL CB C 107 35.200 35.200 33.909 1.291 18437
5001 1 18 . 1 1 36 36 VAL H H 107 8.267 8.267 8.482 -0.215 18437
5002 1 18 . 1 1 37 37 LEU N N 108 121.820 121.820 120.999 0.821 18437
5003 1 18 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.891 -0.462 18437
5004 1 18 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.947 -0.081 18437
5005 1 18 . 1 1 37 37 LEU CB C 108 41.100 41.100 43.361 -2.261 18437
5006 1 18 . 1 1 37 37 LEU H H 108 7.737 7.737 8.389 -0.652 18437
5007 1 18 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.492 -0.781 18437
5008 1 18 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.556 0.116 18437
5009 1 18 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.330 0.743 18437
5010 1 18 . 1 1 39 39 GLY N N 110 112.032 112.032 112.022 0.010 18437
5011 1 18 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.252 -0.409 18437
5012 1 18 . 1 1 39 39 GLY H H 110 9.026 9.026 8.386 0.640 18437
5013 1 18 . 1 1 40 40 THR N N 111 119.141 119.141 120.023 -0.882 18437
5014 1 18 . 1 1 40 40 THR HA H 111 4.330 4.330 4.576 -0.246 18437
5015 1 18 . 1 1 40 40 THR CA C 111 63.346 63.346 61.871 1.475 18437
5016 1 18 . 1 1 40 40 THR CB C 111 69.512 69.512 69.946 -0.434 18437
5017 1 18 . 1 1 40 40 THR H H 111 8.039 8.039 7.907 0.132 18437
5018 1 18 . 1 1 41 41 ALA N N 112 131.125 131.125 128.893 2.232 18437
5019 1 18 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.572 1.135 18437
5020 1 18 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.182 -0.870 18437
5021 1 18 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.614 0.308 18437
5022 1 18 . 1 1 41 41 ALA H H 112 8.900 8.900 8.523 0.377 18437
5023 1 18 . 1 1 42 42 PHE N N 113 116.476 116.476 121.563 -5.087 18437
5024 1 18 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.869 -0.211 18437
5025 1 18 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.440 1.232 18437
5026 1 18 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.572 -3.179 18437
5027 1 18 . 1 1 42 42 PHE H H 113 9.220 9.220 8.619 0.601 18437
5028 1 18 . 1 1 43 43 ARG N N 114 117.116 117.116 123.921 -6.805 18437
5029 1 18 . 1 1 43 43 ARG HA H 114 5.640 5.640 5.004 0.636 18437
5030 1 18 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.885 -0.815 18437
5031 1 18 . 1 1 43 43 ARG CB C 114 34.900 34.900 30.782 4.118 18437
5032 1 18 . 1 1 43 43 ARG H H 114 9.145 9.145 8.555 0.590 18437
5033 1 18 . 1 1 44 44 VAL N N 115 113.755 113.755 117.788 -4.033 18437
5034 1 18 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.649 0.204 18437
5035 1 18 . 1 1 44 44 VAL CA C 115 58.772 58.772 59.533 -0.761 18437
5036 1 18 . 1 1 44 44 VAL CB C 115 37.500 37.500 35.387 2.113 18437
5037 1 18 . 1 1 44 44 VAL H H 115 8.441 8.441 8.706 -0.265 18437
5038 1 18 . 1 1 45 45 SER N N 116 115.947 115.947 114.316 1.631 18437
5039 1 18 . 1 1 45 45 SER HA H 116 4.530 4.530 4.520 0.010 18437
5040 1 18 . 1 1 45 45 SER CA C 116 58.168 58.168 57.344 0.824 18437
5041 1 18 . 1 1 45 45 SER CB C 116 64.399 64.399 64.215 0.184 18437
5042 1 18 . 1 1 45 45 SER H H 116 8.723 8.723 8.429 0.294 18437
5043 1 18 . 1 1 46 46 ALA N N 117 123.625 123.625 127.665 -4.040 18437
5044 1 18 . 1 1 46 46 ALA HA H 117 3.980 3.980 4.095 -0.115 18437
5045 1 18 . 1 1 46 46 ALA CA C 117 55.772 55.772 54.806 0.966 18437
5046 1 18 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.728 -0.618 18437
5047 1 18 . 1 1 46 46 ALA H H 117 9.143 9.143 8.867 0.276 18437
5048 1 18 . 1 1 47 47 GLY N N 118 106.332 106.332 106.616 -0.284 18437
5049 1 18 . 1 1 47 47 GLY CA C 118 46.900 46.900 46.098 0.802 18437
5050 1 18 . 1 1 47 47 GLY H H 118 8.937 8.937 7.663 1.274 18437
5051 1 18 . 1 1 48 48 VAL N N 119 124.965 124.965 123.286 1.679 18437
5052 1 18 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.693 0.150 18437
5053 1 18 . 1 1 48 48 VAL CA C 119 65.816 65.816 65.509 0.307 18437
5054 1 18 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.712 0.255 18437
5055 1 18 . 1 1 48 48 VAL H H 119 7.376 7.376 7.652 -0.276 18437
5056 1 18 . 1 1 49 49 ALA N N 120 122.605 122.605 121.027 1.578 18437
5057 1 18 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.906 -0.234 18437
5058 1 18 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.250 0.222 18437
5059 1 18 . 1 1 49 49 ALA CB C 120 18.454 18.454 17.882 0.572 18437
5060 1 18 . 1 1 49 49 ALA H H 120 8.805 8.805 8.115 0.690 18437
5061 1 18 . 1 1 50 50 ALA N N 121 119.852 119.852 120.212 -0.360 18437
5062 1 18 . 1 1 50 50 ALA HA H 121 4.088 4.088 3.990 0.098 18437
5063 1 18 . 1 1 50 50 ALA CA C 121 54.946 54.946 54.944 0.002 18437
5064 1 18 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.215 -0.537 18437
5065 1 18 . 1 1 50 50 ALA H H 121 7.976 7.976 7.883 0.093 18437
5066 1 18 . 1 1 51 51 GLU N N 122 118.977 118.977 118.208 0.769 18437
5067 1 18 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.114 0.032 18437
5068 1 18 . 1 1 51 51 GLU CA C 122 59.272 59.272 59.039 0.233 18437
5069 1 18 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.684 0.016 18437
5070 1 18 . 1 1 51 51 GLU H H 122 7.369 7.369 7.718 -0.349 18437
5071 1 18 . 1 1 52 52 MET N N 123 116.735 116.735 117.886 -1.151 18437
5072 1 18 . 1 1 52 52 MET HA H 123 3.941 3.941 4.227 -0.286 18437
5073 1 18 . 1 1 52 52 MET CA C 123 60.416 60.416 58.085 2.331 18437
5074 1 18 . 1 1 52 52 MET CB C 123 33.973 33.973 31.812 2.160 18437
5075 1 18 . 1 1 52 52 MET H H 123 8.794 8.794 8.104 0.690 18437
5076 1 18 . 1 1 53 53 THR N N 124 112.866 112.866 109.892 2.974 18437
5077 1 18 . 1 1 53 53 THR HA H 124 4.605 4.605 4.332 0.273 18437
5078 1 18 . 1 1 53 53 THR CA C 124 64.742 64.742 64.830 -0.088 18437
5079 1 18 . 1 1 53 53 THR CB C 124 68.392 68.392 68.959 -0.567 18437
5080 1 18 . 1 1 53 53 THR H H 124 8.622 8.622 8.201 0.421 18437
5081 1 18 . 1 1 54 54 GLU N N 125 125.722 125.722 120.464 5.258 18437
5082 1 18 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.149 -0.006 18437
5083 1 18 . 1 1 54 54 GLU CA C 125 59.639 59.639 58.168 1.471 18437
5084 1 18 . 1 1 54 54 GLU H H 125 8.054 8.054 7.510 0.544 18437
5085 1 18 . 1 1 55 55 ARG N N 126 114.393 114.393 117.378 -2.985 18437
5086 1 18 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.278 0.095 18437
5087 1 18 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.814 -0.342 18437
5088 1 18 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.985 0.815 18437
5089 1 18 . 1 1 55 55 ARG H H 126 7.703 7.703 7.993 -0.290 18437
5090 1 18 . 1 1 56 56 GLY N N 127 107.070 107.070 106.387 0.683 18437
5091 1 18 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.835 0.365 18437
5092 1 18 . 1 1 56 56 GLY H H 127 7.759 7.759 7.789 -0.030 18437
5093 1 18 . 1 1 57 57 LEU N N 128 116.338 116.338 117.947 -1.609 18437
5094 1 18 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.625 -0.254 18437
5095 1 18 . 1 1 57 57 LEU CA C 128 55.572 55.572 54.913 0.659 18437
5096 1 18 . 1 1 57 57 LEU CB C 128 42.427 42.427 43.067 -0.640 18437
5097 1 18 . 1 1 57 57 LEU H H 128 8.293 8.293 7.607 0.686 18437
5098 1 18 . 1 1 58 58 ALA N N 129 116.379 116.379 118.906 -2.527 18437
5099 1 18 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.828 0.302 18437
5100 1 18 . 1 1 58 58 ALA CA C 129 50.142 50.142 50.900 -0.758 18437
5101 1 18 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.460 0.848 18437
5102 1 18 . 1 1 58 58 ALA H H 129 7.351 7.351 7.401 -0.050 18437
5103 1 18 . 1 1 59 59 ARG N N 130 115.969 115.969 121.050 -5.081 18437
5104 1 18 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.860 0.062 18437
5105 1 18 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.523 -1.334 18437
5106 1 18 . 1 1 59 59 ARG CB C 130 33.453 33.453 34.481 -1.028 18437
5107 1 18 . 1 1 59 59 ARG H H 130 8.771 8.771 8.511 0.260 18437
5108 1 18 . 1 1 60 60 MET N N 131 120.973 120.973 124.150 -3.177 18437
5109 1 18 . 1 1 60 60 MET HA H 131 4.415 4.415 4.329 0.086 18437
5110 1 18 . 1 1 60 60 MET CA C 131 55.677 55.677 56.833 -1.156 18437
5111 1 18 . 1 1 60 60 MET CB C 131 31.527 31.527 31.933 -0.406 18437
5112 1 18 . 1 1 60 60 MET H H 131 8.910 8.910 8.727 0.183 18437
5113 1 19 . 1 1 2 2 ASP N N 73 119.729 119.729 117.299 2.430 18437
5114 1 19 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.664 -0.044 18437
5115 1 19 . 1 1 2 2 ASP CA C 73 54.246 54.246 54.516 -0.270 18437
5116 1 19 . 1 1 2 2 ASP CB C 73 41.077 41.077 42.069 -0.992 18437
5117 1 19 . 1 1 2 2 ASP H H 73 8.508 8.508 8.516 -0.008 18437
5118 1 19 . 1 1 3 3 THR N N 74 114.613 114.613 116.003 -1.390 18437
5119 1 19 . 1 1 3 3 THR HA H 74 4.328 4.328 4.480 -0.152 18437
5120 1 19 . 1 1 3 3 THR CA C 74 62.046 62.046 62.681 -0.635 18437
5121 1 19 . 1 1 3 3 THR CB C 74 69.779 69.779 71.404 -1.625 18437
5122 1 19 . 1 1 3 3 THR H H 74 8.047 8.047 7.989 0.058 18437
5123 1 19 . 1 1 4 4 VAL N N 75 123.803 123.803 121.940 1.863 18437
5124 1 19 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.811 0.312 18437
5125 1 19 . 1 1 4 4 VAL CA C 75 62.272 62.272 62.804 -0.532 18437
5126 1 19 . 1 1 4 4 VAL CB C 75 32.873 32.873 31.268 1.605 18437
5127 1 19 . 1 1 4 4 VAL H H 75 8.225 8.225 7.999 0.226 18437
5128 1 19 . 1 1 5 5 ILE N N 76 126.050 126.050 121.480 4.570 18437
5129 1 19 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.433 -0.261 18437
5130 1 19 . 1 1 5 5 ILE CA C 76 60.469 60.469 59.846 0.623 18437
5131 1 19 . 1 1 5 5 ILE CB C 76 38.570 38.570 38.499 0.071 18437
5132 1 19 . 1 1 5 5 ILE H H 76 8.349 8.349 7.725 0.624 18437
5133 1 19 . 1 1 6 6 LEU N N 77 127.505 127.505 128.971 -1.466 18437
5134 1 19 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.628 -0.254 18437
5135 1 19 . 1 1 6 6 LEU CA C 77 55.042 55.042 54.563 0.479 18437
5136 1 19 . 1 1 6 6 LEU CB C 77 42.700 42.700 42.389 0.311 18437
5137 1 19 . 1 1 6 6 LEU H H 77 8.408 8.408 8.487 -0.079 18437
5138 1 19 . 1 1 7 7 ASP N N 78 122.422 122.422 127.071 -4.649 18437
5139 1 19 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.919 -0.110 18437
5140 1 19 . 1 1 7 7 ASP CA C 78 53.746 53.746 53.768 -0.022 18437
5141 1 19 . 1 1 7 7 ASP CB C 78 41.327 41.327 41.865 -0.538 18437
5142 1 19 . 1 1 7 7 ASP H H 78 8.468 8.468 8.629 -0.161 18437
5143 1 19 . 1 1 8 8 THR N N 79 115.682 115.682 113.388 2.294 18437
5144 1 19 . 1 1 8 8 THR HA H 79 4.237 4.237 4.623 -0.386 18437
5145 1 19 . 1 1 8 8 THR CA C 79 62.272 62.272 59.935 2.337 18437
5146 1 19 . 1 1 8 8 THR CB C 79 68.766 68.766 71.139 -2.373 18437
5147 1 19 . 1 1 8 8 THR H H 79 8.447 8.447 8.051 0.396 18437
5148 1 19 . 1 1 9 9 SER N N 80 118.485 118.485 115.709 2.776 18437
5149 1 19 . 1 1 9 9 SER HA H 80 4.349 4.349 4.152 0.197 18437
5150 1 19 . 1 1 9 9 SER CA C 80 60.346 60.346 59.738 0.608 18437
5151 1 19 . 1 1 9 9 SER CB C 80 63.372 63.372 62.727 0.645 18437
5152 1 19 . 1 1 9 9 SER H H 80 8.521 8.521 8.726 -0.205 18437
5153 1 19 . 1 1 10 10 GLU N N 81 121.082 121.082 120.240 0.842 18437
5154 1 19 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.459 -0.060 18437
5155 1 19 . 1 1 10 10 GLU CA C 81 55.946 55.946 55.809 0.137 18437
5156 1 19 . 1 1 10 10 GLU CB C 81 30.073 30.073 31.103 -1.030 18437
5157 1 19 . 1 1 10 10 GLU H H 81 8.192 8.192 8.392 -0.200 18437
5158 1 19 . 1 1 11 11 LEU N N 82 120.855 120.855 123.567 -2.712 18437
5159 1 19 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.465 0.021 18437
5160 1 19 . 1 1 11 11 LEU CA C 82 54.319 54.319 55.864 -1.545 18437
5161 1 19 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.833 0.469 18437
5162 1 19 . 1 1 11 11 LEU H H 82 7.804 7.804 8.183 -0.379 18437
5163 1 19 . 1 1 12 12 VAL N N 83 119.700 119.700 118.373 1.327 18437
5164 1 19 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.554 -0.125 18437
5165 1 19 . 1 1 12 12 VAL CA C 83 60.069 60.069 60.120 -0.051 18437
5166 1 19 . 1 1 12 12 VAL CB C 83 34.830 34.830 35.537 -0.707 18437
5167 1 19 . 1 1 12 12 VAL H H 83 9.270 9.270 8.957 0.313 18437
5168 1 19 . 1 1 13 13 THR N N 84 118.866 118.866 121.952 -3.086 18437
5169 1 19 . 1 1 13 13 THR HA H 84 4.838 4.838 4.276 0.562 18437
5170 1 19 . 1 1 13 13 THR CA C 84 62.246 62.246 63.430 -1.184 18437
5171 1 19 . 1 1 13 13 THR CB C 84 68.463 68.463 68.905 -0.442 18437
5172 1 19 . 1 1 13 13 THR H H 84 8.380 8.380 8.543 -0.163 18437
5173 1 19 . 1 1 14 14 VAL N N 85 120.684 120.684 127.593 -6.909 18437
5174 1 19 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.238 0.548 18437
5175 1 19 . 1 1 14 14 VAL CA C 85 57.719 57.719 60.008 -2.289 18437
5176 1 19 . 1 1 14 14 VAL CB C 85 35.000 35.000 34.669 0.331 18437
5177 1 19 . 1 1 14 14 VAL H H 85 8.678 8.678 8.218 0.460 18437
5178 1 19 . 1 1 15 15 VAL N N 86 116.897 116.897 127.720 -10.823 18437
5179 1 19 . 1 1 15 15 VAL HA H 86 4.583 4.583 5.020 -0.437 18437
5180 1 19 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.899 1.647 18437
5181 1 19 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.353 -0.653 18437
5182 1 19 . 1 1 15 15 VAL H H 86 8.926 8.926 8.637 0.289 18437
5183 1 19 . 1 1 16 16 ALA N N 87 127.774 127.774 130.774 -3.000 18437
5184 1 19 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.467 -0.110 18437
5185 1 19 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.405 1.122 18437
5186 1 19 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.919 -0.671 18437
5187 1 19 . 1 1 16 16 ALA H H 87 8.508 8.508 8.453 0.055 18437
5188 1 19 . 1 1 17 17 LEU N N 88 122.162 122.162 121.365 0.797 18437
5189 1 19 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.590 -0.025 18437
5190 1 19 . 1 1 17 17 LEU CA C 88 55.019 55.019 56.090 -1.071 18437
5191 1 19 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.677 0.023 18437
5192 1 19 . 1 1 17 17 LEU H H 88 9.104 9.104 8.975 0.129 18437
5193 1 19 . 1 1 18 18 VAL N N 89 112.263 112.263 112.661 -0.398 18437
5194 1 19 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.487 0.045 18437
5195 1 19 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.554 -1.108 18437
5196 1 19 . 1 1 18 18 VAL CB C 89 36.300 36.300 34.966 1.334 18437
5197 1 19 . 1 1 18 18 VAL H H 89 7.444 7.444 7.536 -0.092 18437
5198 1 19 . 1 1 19 19 LYS N N 90 118.799 118.799 122.669 -3.870 18437
5199 1 19 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.198 0.384 18437
5200 1 19 . 1 1 19 19 LYS CA C 90 56.946 56.946 57.225 -0.279 18437
5201 1 19 . 1 1 19 19 LYS CB C 90 32.573 32.573 31.228 1.345 18437
5202 1 19 . 1 1 19 19 LYS H H 90 8.198 8.198 8.383 -0.185 18437
5203 1 19 . 1 1 20 20 LEU N N 91 124.814 124.814 126.055 -1.241 18437
5204 1 19 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.757 -0.007 18437
5205 1 19 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.590 -0.458 18437
5206 1 19 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.515 -0.115 18437
5207 1 19 . 1 1 20 20 LEU H H 91 8.351 8.351 7.894 0.457 18437
5208 1 19 . 1 1 21 21 HIS N N 92 121.971 121.971 123.618 -1.647 18437
5209 1 19 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.803 0.309 18437
5210 1 19 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.157 0.396 18437
5211 1 19 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.441 -0.214 18437
5212 1 19 . 1 1 21 21 HIS H H 92 8.555 8.555 8.594 -0.039 18437
5213 1 19 . 1 1 22 22 THR N N 93 119.332 119.332 117.436 1.896 18437
5214 1 19 . 1 1 22 22 THR HA H 93 4.492 4.492 4.465 0.027 18437
5215 1 19 . 1 1 22 22 THR CA C 93 59.546 59.546 60.784 -1.238 18437
5216 1 19 . 1 1 22 22 THR CB C 93 69.472 69.472 70.717 -1.245 18437
5217 1 19 . 1 1 22 22 THR H H 93 8.182 8.182 7.957 0.225 18437
5218 1 19 . 1 1 23 23 ASP N N 94 121.861 121.861 127.696 -5.835 18437
5219 1 19 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.155 -0.176 18437
5220 1 19 . 1 1 23 23 ASP CA C 94 53.673 53.673 52.770 0.903 18437
5221 1 19 . 1 1 23 23 ASP CB C 94 41.027 41.027 41.008 0.020 18437
5222 1 19 . 1 1 23 23 ASP H H 94 8.133 8.133 8.485 -0.352 18437
5223 1 19 . 1 1 24 24 ALA N N 95 125.785 125.785 127.917 -2.132 18437
5224 1 19 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.646 0.507 18437
5225 1 19 . 1 1 24 24 ALA CA C 95 50.916 50.916 51.127 -0.211 18437
5226 1 19 . 1 1 24 24 ALA CB C 95 24.090 24.090 21.142 2.948 18437
5227 1 19 . 1 1 24 24 ALA H H 95 7.992 7.992 7.768 0.224 18437
5228 1 19 . 1 1 25 25 LEU N N 96 120.726 120.726 124.264 -3.538 18437
5229 1 19 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.428 0.883 18437
5230 1 19 . 1 1 25 25 LEU CA C 96 53.416 53.416 54.181 -0.765 18437
5231 1 19 . 1 1 25 25 LEU CB C 96 46.000 46.000 43.814 2.186 18437
5232 1 19 . 1 1 25 25 LEU H H 96 8.661 8.661 8.370 0.291 18437
5233 1 19 . 1 1 26 26 HIS N N 97 121.175 121.175 123.740 -2.565 18437
5234 1 19 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.458 -0.189 18437
5235 1 19 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.633 1.683 18437
5236 1 19 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.608 0.365 18437
5237 1 19 . 1 1 26 26 HIS H H 97 8.725 8.725 8.101 0.624 18437
5238 1 19 . 1 1 27 27 ALA N N 98 126.618 126.618 130.267 -3.649 18437
5239 1 19 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.358 -0.599 18437
5240 1 19 . 1 1 27 27 ALA CA C 98 56.672 56.672 54.265 2.407 18437
5241 1 19 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.188 0.189 18437
5242 1 19 . 1 1 27 27 ALA H H 98 8.260 8.260 8.869 -0.609 18437
5243 1 19 . 1 1 28 28 THR N N 99 107.369 107.369 112.836 -5.467 18437
5244 1 19 . 1 1 28 28 THR HA H 99 4.584 4.584 4.210 0.374 18437
5245 1 19 . 1 1 28 28 THR CA C 99 61.872 61.872 63.929 -2.057 18437
5246 1 19 . 1 1 28 28 THR CB C 99 70.442 70.442 69.134 1.308 18437
5247 1 19 . 1 1 28 28 THR H H 99 10.304 10.304 8.150 2.154 18437
5248 1 19 . 1 1 29 29 ARG N N 100 124.395 124.395 120.448 3.947 18437
5249 1 19 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.426 0.141 18437
5250 1 19 . 1 1 29 29 ARG CA C 100 55.246 55.246 55.053 0.193 18437
5251 1 19 . 1 1 29 29 ARG CB C 100 32.673 32.673 30.943 1.730 18437
5252 1 19 . 1 1 29 29 ARG H H 100 9.037 9.037 7.718 1.319 18437
5253 1 19 . 1 1 30 30 ASP N N 101 124.596 124.596 120.580 4.016 18437
5254 1 19 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.813 -0.080 18437
5255 1 19 . 1 1 30 30 ASP CA C 101 52.916 52.916 53.627 -0.711 18437
5256 1 19 . 1 1 30 30 ASP CB C 101 38.097 38.097 40.223 -2.126 18437
5257 1 19 . 1 1 30 30 ASP H H 101 8.898 8.898 8.462 0.436 18437
5258 1 19 . 1 1 31 31 GLU N N 102 121.916 121.916 121.940 -0.024 18437
5259 1 19 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.646 0.272 18437
5260 1 19 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.235 -1.689 18437
5261 1 19 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.273 0.789 18437
5262 1 19 . 1 1 31 31 GLU H H 102 7.876 7.876 8.249 -0.373 18437
5263 1 19 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.506 0.593 18437
5264 1 19 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.626 0.063 18437
5265 1 19 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.541 0.599 18437
5266 1 19 . 1 1 33 33 VAL N N 104 118.661 118.661 116.697 1.964 18437
5267 1 19 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.138 0.265 18437
5268 1 19 . 1 1 33 33 VAL CA C 104 61.216 61.216 62.019 -0.803 18437
5269 1 19 . 1 1 33 33 VAL CB C 104 35.543 35.543 34.669 0.874 18437
5270 1 19 . 1 1 33 33 VAL H H 104 8.362 8.362 8.411 -0.049 18437
5271 1 19 . 1 1 34 34 ALA N N 105 126.902 126.902 128.838 -1.936 18437
5272 1 19 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.601 0.569 18437
5273 1 19 . 1 1 34 34 ALA CA C 105 51.622 51.622 52.427 -0.805 18437
5274 1 19 . 1 1 34 34 ALA CB C 105 21.017 21.017 20.442 0.575 18437
5275 1 19 . 1 1 34 34 ALA H H 105 8.726 8.726 8.400 0.326 18437
5276 1 19 . 1 1 35 35 PHE N N 106 119.156 119.156 114.961 4.195 18437
5277 1 19 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.569 0.667 18437
5278 1 19 . 1 1 35 35 PHE CA C 106 56.646 56.646 56.242 0.404 18437
5279 1 19 . 1 1 35 35 PHE CB C 106 41.300 41.300 40.730 0.570 18437
5280 1 19 . 1 1 35 35 PHE H H 106 7.597 7.597 7.032 0.565 18437
5281 1 19 . 1 1 36 36 VAL N N 107 120.344 120.344 118.457 1.887 18437
5282 1 19 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.346 -0.127 18437
5283 1 19 . 1 1 36 36 VAL CA C 107 59.546 59.546 59.864 -0.318 18437
5284 1 19 . 1 1 36 36 VAL CB C 107 35.200 35.200 33.980 1.220 18437
5285 1 19 . 1 1 36 36 VAL H H 107 8.267 8.267 8.524 -0.257 18437
5286 1 19 . 1 1 37 37 LEU N N 108 121.820 121.820 121.096 0.724 18437
5287 1 19 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.914 -0.485 18437
5288 1 19 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.864 0.003 18437
5289 1 19 . 1 1 37 37 LEU CB C 108 41.100 41.100 43.383 -2.283 18437
5290 1 19 . 1 1 37 37 LEU H H 108 7.737 7.737 8.457 -0.720 18437
5291 1 19 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.489 -0.778 18437
5292 1 19 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.559 0.113 18437
5293 1 19 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.340 0.733 18437
5294 1 19 . 1 1 39 39 GLY N N 110 112.032 112.032 112.032 0.000 18437
5295 1 19 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.251 -0.408 18437
5296 1 19 . 1 1 39 39 GLY H H 110 9.026 9.026 8.381 0.645 18437
5297 1 19 . 1 1 40 40 THR N N 111 119.141 119.141 120.015 -0.874 18437
5298 1 19 . 1 1 40 40 THR HA H 111 4.330 4.330 4.582 -0.252 18437
5299 1 19 . 1 1 40 40 THR CA C 111 63.346 63.346 61.840 1.506 18437
5300 1 19 . 1 1 40 40 THR CB C 111 69.512 69.512 69.970 -0.458 18437
5301 1 19 . 1 1 40 40 THR H H 111 8.039 8.039 7.908 0.131 18437
5302 1 19 . 1 1 41 41 ALA N N 112 131.125 131.125 128.892 2.233 18437
5303 1 19 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.563 1.144 18437
5304 1 19 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.216 -0.904 18437
5305 1 19 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.567 0.355 18437
5306 1 19 . 1 1 41 41 ALA H H 112 8.900 8.900 8.533 0.367 18437
5307 1 19 . 1 1 42 42 PHE N N 113 116.476 116.476 121.702 -5.226 18437
5308 1 19 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.859 -0.201 18437
5309 1 19 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.423 1.249 18437
5310 1 19 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.587 -3.194 18437
5311 1 19 . 1 1 42 42 PHE H H 113 9.220 9.220 8.640 0.580 18437
5312 1 19 . 1 1 43 43 ARG N N 114 117.116 117.116 123.866 -6.750 18437
5313 1 19 . 1 1 43 43 ARG HA H 114 5.640 5.640 4.997 0.643 18437
5314 1 19 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.898 -0.827 18437
5315 1 19 . 1 1 43 43 ARG CB C 114 34.900 34.900 30.833 4.067 18437
5316 1 19 . 1 1 43 43 ARG H H 114 9.145 9.145 8.568 0.577 18437
5317 1 19 . 1 1 44 44 VAL N N 115 113.755 113.755 116.965 -3.210 18437
5318 1 19 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.627 0.226 18437
5319 1 19 . 1 1 44 44 VAL CA C 115 58.772 58.772 59.621 -0.849 18437
5320 1 19 . 1 1 44 44 VAL CB C 115 37.500 37.500 35.465 2.035 18437
5321 1 19 . 1 1 44 44 VAL H H 115 8.441 8.441 8.677 -0.236 18437
5322 1 19 . 1 1 45 45 SER N N 116 115.947 115.947 115.081 0.866 18437
5323 1 19 . 1 1 45 45 SER HA H 116 4.530 4.530 4.458 0.072 18437
5324 1 19 . 1 1 45 45 SER CA C 116 58.168 58.168 58.062 0.106 18437
5325 1 19 . 1 1 45 45 SER CB C 116 64.399 64.399 64.365 0.034 18437
5326 1 19 . 1 1 45 45 SER H H 116 8.723 8.723 8.475 0.248 18437
5327 1 19 . 1 1 46 46 ALA N N 117 123.625 123.625 127.541 -3.916 18437
5328 1 19 . 1 1 46 46 ALA HA H 117 3.980 3.980 4.102 -0.122 18437
5329 1 19 . 1 1 46 46 ALA CA C 117 55.772 55.772 54.799 0.973 18437
5330 1 19 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.726 -0.615 18437
5331 1 19 . 1 1 46 46 ALA H H 117 9.143 9.143 8.424 0.719 18437
5332 1 19 . 1 1 47 47 GLY N N 118 106.332 106.332 106.551 -0.219 18437
5333 1 19 . 1 1 47 47 GLY CA C 118 46.900 46.900 46.261 0.639 18437
5334 1 19 . 1 1 47 47 GLY H H 118 8.937 8.937 7.640 1.297 18437
5335 1 19 . 1 1 48 48 VAL N N 119 124.965 124.965 123.196 1.769 18437
5336 1 19 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.721 0.122 18437
5337 1 19 . 1 1 48 48 VAL CA C 119 65.816 65.816 65.553 0.263 18437
5338 1 19 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.464 0.503 18437
5339 1 19 . 1 1 48 48 VAL H H 119 7.376 7.376 7.709 -0.333 18437
5340 1 19 . 1 1 49 49 ALA N N 120 122.605 122.605 121.390 1.215 18437
5341 1 19 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.912 -0.240 18437
5342 1 19 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.300 0.172 18437
5343 1 19 . 1 1 49 49 ALA CB C 120 18.454 18.454 17.964 0.490 18437
5344 1 19 . 1 1 49 49 ALA H H 120 8.805 8.805 8.148 0.657 18437
5345 1 19 . 1 1 50 50 ALA N N 121 119.852 119.852 120.204 -0.352 18437
5346 1 19 . 1 1 50 50 ALA HA H 121 4.088 4.088 3.991 0.097 18437
5347 1 19 . 1 1 50 50 ALA CA C 121 54.946 54.946 54.948 -0.002 18437
5348 1 19 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.204 -0.527 18437
5349 1 19 . 1 1 50 50 ALA H H 121 7.976 7.976 7.798 0.178 18437
5350 1 19 . 1 1 51 51 GLU N N 122 118.977 118.977 117.897 1.080 18437
5351 1 19 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.118 0.028 18437
5352 1 19 . 1 1 51 51 GLU CA C 122 59.272 59.272 58.976 0.296 18437
5353 1 19 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.788 -0.088 18437
5354 1 19 . 1 1 51 51 GLU H H 122 7.369 7.369 7.730 -0.361 18437
5355 1 19 . 1 1 52 52 MET N N 123 116.735 116.735 118.015 -1.280 18437
5356 1 19 . 1 1 52 52 MET HA H 123 3.941 3.941 4.226 -0.285 18437
5357 1 19 . 1 1 52 52 MET CA C 123 60.416 60.416 58.090 2.326 18437
5358 1 19 . 1 1 52 52 MET CB C 123 33.973 33.973 31.761 2.212 18437
5359 1 19 . 1 1 52 52 MET H H 123 8.794 8.794 8.122 0.672 18437
5360 1 19 . 1 1 53 53 THR N N 124 112.866 112.866 109.382 3.484 18437
5361 1 19 . 1 1 53 53 THR HA H 124 4.605 4.605 4.330 0.275 18437
5362 1 19 . 1 1 53 53 THR CA C 124 64.742 64.742 64.442 0.300 18437
5363 1 19 . 1 1 53 53 THR CB C 124 68.392 68.392 68.918 -0.526 18437
5364 1 19 . 1 1 53 53 THR H H 124 8.622 8.622 8.215 0.407 18437
5365 1 19 . 1 1 54 54 GLU N N 125 125.722 125.722 120.666 5.056 18437
5366 1 19 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.158 -0.015 18437
5367 1 19 . 1 1 54 54 GLU CA C 125 59.639 59.639 58.288 1.351 18437
5368 1 19 . 1 1 54 54 GLU H H 125 8.054 8.054 7.540 0.514 18437
5369 1 19 . 1 1 55 55 ARG N N 126 114.393 114.393 117.323 -2.930 18437
5370 1 19 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.293 0.080 18437
5371 1 19 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.622 -0.150 18437
5372 1 19 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.979 0.821 18437
5373 1 19 . 1 1 55 55 ARG H H 126 7.703 7.703 7.991 -0.288 18437
5374 1 19 . 1 1 56 56 GLY N N 127 107.070 107.070 106.563 0.507 18437
5375 1 19 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.895 0.305 18437
5376 1 19 . 1 1 56 56 GLY H H 127 7.759 7.759 7.784 -0.025 18437
5377 1 19 . 1 1 57 57 LEU N N 128 116.338 116.338 118.088 -1.750 18437
5378 1 19 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.603 -0.232 18437
5379 1 19 . 1 1 57 57 LEU CA C 128 55.572 55.572 54.989 0.583 18437
5380 1 19 . 1 1 57 57 LEU CB C 128 42.427 42.427 42.979 -0.552 18437
5381 1 19 . 1 1 57 57 LEU H H 128 8.293 8.293 7.592 0.701 18437
5382 1 19 . 1 1 58 58 ALA N N 129 116.379 116.379 119.006 -2.627 18437
5383 1 19 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.907 0.223 18437
5384 1 19 . 1 1 58 58 ALA CA C 129 50.142 50.142 50.900 -0.758 18437
5385 1 19 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.434 0.874 18437
5386 1 19 . 1 1 58 58 ALA H H 129 7.351 7.351 7.388 -0.037 18437
5387 1 19 . 1 1 59 59 ARG N N 130 115.969 115.969 120.931 -4.962 18437
5388 1 19 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.863 0.059 18437
5389 1 19 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.573 -1.384 18437
5390 1 19 . 1 1 59 59 ARG CB C 130 33.453 33.453 34.435 -0.982 18437
5391 1 19 . 1 1 59 59 ARG H H 130 8.771 8.771 8.671 0.100 18437
5392 1 19 . 1 1 60 60 MET N N 131 120.973 120.973 123.897 -2.924 18437
5393 1 19 . 1 1 60 60 MET HA H 131 4.415 4.415 4.394 0.021 18437
5394 1 19 . 1 1 60 60 MET CA C 131 55.677 55.677 56.741 -1.064 18437
5395 1 19 . 1 1 60 60 MET CB C 131 31.527 31.527 32.265 -0.738 18437
5396 1 19 . 1 1 60 60 MET H H 131 8.910 8.910 8.704 0.206 18437
5397 1 20 . 1 1 2 2 ASP N N 73 119.729 119.729 120.308 -0.579 18437
5398 1 20 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.714 -0.094 18437
5399 1 20 . 1 1 2 2 ASP CA C 73 54.246 54.246 54.074 0.172 18437
5400 1 20 . 1 1 2 2 ASP CB C 73 41.077 41.077 41.641 -0.564 18437
5401 1 20 . 1 1 2 2 ASP H H 73 8.508 8.508 8.468 0.040 18437
5402 1 20 . 1 1 3 3 THR N N 74 114.613 114.613 114.046 0.567 18437
5403 1 20 . 1 1 3 3 THR HA H 74 4.328 4.328 4.422 -0.094 18437
5404 1 20 . 1 1 3 3 THR CA C 74 62.046 62.046 62.326 -0.280 18437
5405 1 20 . 1 1 3 3 THR CB C 74 69.779 69.779 70.586 -0.807 18437
5406 1 20 . 1 1 3 3 THR H H 74 8.047 8.047 7.897 0.150 18437
5407 1 20 . 1 1 4 4 VAL N N 75 123.803 123.803 120.693 3.110 18437
5408 1 20 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.798 0.325 18437
5409 1 20 . 1 1 4 4 VAL CA C 75 62.272 62.272 63.179 -0.908 18437
5410 1 20 . 1 1 4 4 VAL CB C 75 32.873 32.873 30.858 2.014 18437
5411 1 20 . 1 1 4 4 VAL H H 75 8.225 8.225 7.893 0.332 18437
5412 1 20 . 1 1 5 5 ILE N N 76 126.050 126.050 120.492 5.558 18437
5413 1 20 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.361 -0.189 18437
5414 1 20 . 1 1 5 5 ILE CA C 76 60.469 60.469 60.511 -0.042 18437
5415 1 20 . 1 1 5 5 ILE CB C 76 38.570 38.570 40.116 -1.546 18437
5416 1 20 . 1 1 5 5 ILE H H 76 8.349 8.349 7.609 0.740 18437
5417 1 20 . 1 1 6 6 LEU N N 77 127.505 127.505 128.635 -1.130 18437
5418 1 20 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.545 -0.171 18437
5419 1 20 . 1 1 6 6 LEU CA C 77 55.042 55.042 54.170 0.872 18437
5420 1 20 . 1 1 6 6 LEU CB C 77 42.700 42.700 42.111 0.589 18437
5421 1 20 . 1 1 6 6 LEU H H 77 8.408 8.408 8.534 -0.126 18437
5422 1 20 . 1 1 7 7 ASP N N 78 122.422 122.422 124.987 -2.565 18437
5423 1 20 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.921 -0.112 18437
5424 1 20 . 1 1 7 7 ASP CA C 78 53.746 53.746 53.887 -0.141 18437
5425 1 20 . 1 1 7 7 ASP CB C 78 41.327 41.327 43.029 -1.702 18437
5426 1 20 . 1 1 7 7 ASP H H 78 8.468 8.468 8.523 -0.055 18437
5427 1 20 . 1 1 8 8 THR N N 79 115.682 115.682 114.462 1.220 18437
5428 1 20 . 1 1 8 8 THR HA H 79 4.237 4.237 4.366 -0.129 18437
5429 1 20 . 1 1 8 8 THR CA C 79 62.272 62.272 63.044 -0.772 18437
5430 1 20 . 1 1 8 8 THR CB C 79 68.766 68.766 69.483 -0.717 18437
5431 1 20 . 1 1 8 8 THR H H 79 8.447 8.447 8.415 0.032 18437
5432 1 20 . 1 1 9 9 SER N N 80 118.485 118.485 115.631 2.854 18437
5433 1 20 . 1 1 9 9 SER HA H 80 4.349 4.349 4.472 -0.123 18437
5434 1 20 . 1 1 9 9 SER CA C 80 60.346 60.346 58.594 1.752 18437
5435 1 20 . 1 1 9 9 SER CB C 80 63.372 63.372 63.370 0.002 18437
5436 1 20 . 1 1 9 9 SER H H 80 8.521 8.521 7.857 0.664 18437
5437 1 20 . 1 1 10 10 GLU N N 81 121.082 121.082 122.421 -1.339 18437
5438 1 20 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.478 -0.079 18437
5439 1 20 . 1 1 10 10 GLU CA C 81 55.946 55.946 56.578 -0.632 18437
5440 1 20 . 1 1 10 10 GLU CB C 81 30.073 30.073 31.309 -1.236 18437
5441 1 20 . 1 1 10 10 GLU H H 81 8.192 8.192 8.255 -0.063 18437
5442 1 20 . 1 1 11 11 LEU N N 82 120.855 120.855 124.362 -3.507 18437
5443 1 20 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.696 -0.210 18437
5444 1 20 . 1 1 11 11 LEU CA C 82 54.319 54.319 54.361 -0.042 18437
5445 1 20 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.670 0.632 18437
5446 1 20 . 1 1 11 11 LEU H H 82 7.804 7.804 8.543 -0.739 18437
5447 1 20 . 1 1 12 12 VAL N N 83 119.700 119.700 118.281 1.419 18437
5448 1 20 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.555 -0.126 18437
5449 1 20 . 1 1 12 12 VAL CA C 83 60.069 60.069 60.089 -0.020 18437
5450 1 20 . 1 1 12 12 VAL CB C 83 34.830 34.830 35.068 -0.238 18437
5451 1 20 . 1 1 12 12 VAL H H 83 9.270 9.270 9.060 0.210 18437
5452 1 20 . 1 1 13 13 THR N N 84 118.866 118.866 123.239 -4.373 18437
5453 1 20 . 1 1 13 13 THR HA H 84 4.838 4.838 4.227 0.611 18437
5454 1 20 . 1 1 13 13 THR CA C 84 62.246 62.246 63.353 -1.107 18437
5455 1 20 . 1 1 13 13 THR CB C 84 68.463 68.463 68.764 -0.301 18437
5456 1 20 . 1 1 13 13 THR H H 84 8.380 8.380 8.566 -0.186 18437
5457 1 20 . 1 1 14 14 VAL N N 85 120.684 120.684 128.005 -7.321 18437
5458 1 20 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.346 0.440 18437
5459 1 20 . 1 1 14 14 VAL CA C 85 57.719 57.719 59.723 -2.004 18437
5460 1 20 . 1 1 14 14 VAL CB C 85 35.000 35.000 34.644 0.356 18437
5461 1 20 . 1 1 14 14 VAL H H 85 8.678 8.678 8.358 0.320 18437
5462 1 20 . 1 1 15 15 VAL N N 86 116.897 116.897 127.887 -10.990 18437
5463 1 20 . 1 1 15 15 VAL HA H 86 4.583 4.583 5.099 -0.516 18437
5464 1 20 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.977 1.569 18437
5465 1 20 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.325 -0.625 18437
5466 1 20 . 1 1 15 15 VAL H H 86 8.926 8.926 8.841 0.085 18437
5467 1 20 . 1 1 16 16 ALA N N 87 127.774 127.774 130.952 -3.178 18437
5468 1 20 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.442 -0.085 18437
5469 1 20 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.560 0.967 18437
5470 1 20 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.843 -0.595 18437
5471 1 20 . 1 1 16 16 ALA H H 87 8.508 8.508 8.487 0.021 18437
5472 1 20 . 1 1 17 17 LEU N N 88 122.162 122.162 120.751 1.411 18437
5473 1 20 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.636 -0.071 18437
5474 1 20 . 1 1 17 17 LEU CA C 88 55.019 55.019 55.550 -0.531 18437
5475 1 20 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.553 0.147 18437
5476 1 20 . 1 1 17 17 LEU H H 88 9.104 9.104 8.991 0.113 18437
5477 1 20 . 1 1 18 18 VAL N N 89 112.263 112.263 112.487 -0.224 18437
5478 1 20 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.372 0.160 18437
5479 1 20 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.812 -1.365 18437
5480 1 20 . 1 1 18 18 VAL CB C 89 36.300 36.300 35.228 1.072 18437
5481 1 20 . 1 1 18 18 VAL H H 89 7.444 7.444 7.524 -0.080 18437
5482 1 20 . 1 1 19 19 LYS N N 90 118.799 118.799 121.380 -2.581 18437
5483 1 20 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.253 0.329 18437
5484 1 20 . 1 1 19 19 LYS CA C 90 56.946 56.946 57.249 -0.303 18437
5485 1 20 . 1 1 19 19 LYS CB C 90 32.573 32.573 31.211 1.362 18437
5486 1 20 . 1 1 19 19 LYS H H 90 8.198 8.198 8.328 -0.130 18437
5487 1 20 . 1 1 20 20 LEU N N 91 124.814 124.814 126.136 -1.322 18437
5488 1 20 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.777 -0.027 18437
5489 1 20 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.374 -0.242 18437
5490 1 20 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.582 -0.182 18437
5491 1 20 . 1 1 20 20 LEU H H 91 8.351 8.351 8.260 0.091 18437
5492 1 20 . 1 1 21 21 HIS N N 92 121.971 121.971 123.258 -1.287 18437
5493 1 20 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.830 0.282 18437
5494 1 20 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.294 0.259 18437
5495 1 20 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.313 -0.086 18437
5496 1 20 . 1 1 21 21 HIS H H 92 8.555 8.555 8.579 -0.024 18437
5497 1 20 . 1 1 22 22 THR N N 93 119.332 119.332 117.718 1.614 18437
5498 1 20 . 1 1 22 22 THR HA H 93 4.492 4.492 4.550 -0.058 18437
5499 1 20 . 1 1 22 22 THR CA C 93 59.546 59.546 59.888 -0.341 18437
5500 1 20 . 1 1 22 22 THR CB C 93 69.472 69.472 70.176 -0.704 18437
5501 1 20 . 1 1 22 22 THR H H 93 8.182 8.182 7.954 0.228 18437
5502 1 20 . 1 1 23 23 ASP N N 94 121.861 121.861 125.021 -3.160 18437
5503 1 20 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.256 -0.277 18437
5504 1 20 . 1 1 23 23 ASP CA C 94 53.673 53.673 52.051 1.622 18437
5505 1 20 . 1 1 23 23 ASP CB C 94 41.027 41.027 40.157 0.870 18437
5506 1 20 . 1 1 23 23 ASP H H 94 8.133 8.133 8.404 -0.271 18437
5507 1 20 . 1 1 24 24 ALA N N 95 125.785 125.785 124.355 1.430 18437
5508 1 20 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.565 0.588 18437
5509 1 20 . 1 1 24 24 ALA CA C 95 50.916 50.916 50.483 0.433 18437
5510 1 20 . 1 1 24 24 ALA CB C 95 24.090 24.090 22.563 1.527 18437
5511 1 20 . 1 1 24 24 ALA H H 95 7.992 7.992 8.169 -0.177 18437
5512 1 20 . 1 1 25 25 LEU N N 96 120.726 120.726 119.201 1.525 18437
5513 1 20 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.565 0.746 18437
5514 1 20 . 1 1 25 25 LEU CA C 96 53.416 53.416 54.561 -1.145 18437
5515 1 20 . 1 1 25 25 LEU CB C 96 46.000 46.000 45.662 0.338 18437
5516 1 20 . 1 1 25 25 LEU H H 96 8.661 8.661 8.514 0.147 18437
5517 1 20 . 1 1 26 26 HIS N N 97 121.175 121.175 123.814 -2.639 18437
5518 1 20 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.470 -0.201 18437
5519 1 20 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.482 1.834 18437
5520 1 20 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.826 0.147 18437
5521 1 20 . 1 1 26 26 HIS H H 97 8.725 8.725 8.206 0.519 18437
5522 1 20 . 1 1 27 27 ALA N N 98 126.618 126.618 130.509 -3.891 18437
5523 1 20 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.279 -0.520 18437
5524 1 20 . 1 1 27 27 ALA CA C 98 56.672 56.672 54.226 2.446 18437
5525 1 20 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.278 0.099 18437
5526 1 20 . 1 1 27 27 ALA H H 98 8.260 8.260 8.774 -0.514 18437
5527 1 20 . 1 1 28 28 THR N N 99 107.369 107.369 110.939 -3.570 18437
5528 1 20 . 1 1 28 28 THR HA H 99 4.584 4.584 4.329 0.255 18437
5529 1 20 . 1 1 28 28 THR CA C 99 61.872 61.872 63.437 -1.565 18437
5530 1 20 . 1 1 28 28 THR CB C 99 70.442 70.442 69.077 1.365 18437
5531 1 20 . 1 1 28 28 THR H H 99 10.304 10.304 8.432 1.872 18437
5532 1 20 . 1 1 29 29 ARG N N 100 124.395 124.395 119.335 5.060 18437
5533 1 20 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.482 0.085 18437
5534 1 20 . 1 1 29 29 ARG CA C 100 55.246 55.246 54.698 0.548 18437
5535 1 20 . 1 1 29 29 ARG CB C 100 32.673 32.673 32.438 0.235 18437
5536 1 20 . 1 1 29 29 ARG H H 100 9.037 9.037 7.641 1.396 18437
5537 1 20 . 1 1 30 30 ASP N N 101 124.596 124.596 120.698 3.898 18437
5538 1 20 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.796 -0.064 18437
5539 1 20 . 1 1 30 30 ASP CA C 101 52.916 52.916 53.566 -0.651 18437
5540 1 20 . 1 1 30 30 ASP CB C 101 38.097 38.097 40.245 -2.147 18437
5541 1 20 . 1 1 30 30 ASP H H 101 8.898 8.898 8.485 0.413 18437
5542 1 20 . 1 1 31 31 GLU N N 102 121.916 121.916 122.124 -0.208 18437
5543 1 20 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.636 0.282 18437
5544 1 20 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.283 -1.737 18437
5545 1 20 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.315 0.747 18437
5546 1 20 . 1 1 31 31 GLU H H 102 7.876 7.876 8.225 -0.349 18437
5547 1 20 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.411 0.688 18437
5548 1 20 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.494 0.195 18437
5549 1 20 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.513 0.627 18437
5550 1 20 . 1 1 33 33 VAL N N 104 118.661 118.661 118.590 0.071 18437
5551 1 20 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.157 0.246 18437
5552 1 20 . 1 1 33 33 VAL CA C 104 61.216 61.216 61.131 0.085 18437
5553 1 20 . 1 1 33 33 VAL CB C 104 35.543 35.543 34.217 1.326 18437
5554 1 20 . 1 1 33 33 VAL H H 104 8.362 8.362 8.342 0.020 18437
5555 1 20 . 1 1 34 34 ALA N N 105 126.902 126.902 129.488 -2.586 18437
5556 1 20 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.520 0.650 18437
5557 1 20 . 1 1 34 34 ALA CA C 105 51.622 51.622 52.302 -0.680 18437
5558 1 20 . 1 1 34 34 ALA CB C 105 21.017 21.017 20.790 0.227 18437
5559 1 20 . 1 1 34 34 ALA H H 105 8.726 8.726 8.315 0.411 18437
5560 1 20 . 1 1 35 35 PHE N N 106 119.156 119.156 114.624 4.532 18437
5561 1 20 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.628 0.608 18437
5562 1 20 . 1 1 35 35 PHE CA C 106 56.646 56.646 55.304 1.342 18437
5563 1 20 . 1 1 35 35 PHE CB C 106 41.300 41.300 40.843 0.457 18437
5564 1 20 . 1 1 35 35 PHE H H 106 7.597 7.597 6.948 0.649 18437
5565 1 20 . 1 1 36 36 VAL N N 107 120.344 120.344 118.756 1.588 18437
5566 1 20 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.343 -0.124 18437
5567 1 20 . 1 1 36 36 VAL CA C 107 59.546 59.546 60.017 -0.471 18437
5568 1 20 . 1 1 36 36 VAL CB C 107 35.200 35.200 33.466 1.734 18437
5569 1 20 . 1 1 36 36 VAL H H 107 8.267 8.267 8.743 -0.476 18437
5570 1 20 . 1 1 37 37 LEU N N 108 121.820 121.820 121.916 -0.096 18437
5571 1 20 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.915 -0.486 18437
5572 1 20 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.336 0.530 18437
5573 1 20 . 1 1 37 37 LEU CB C 108 41.100 41.100 43.562 -2.462 18437
5574 1 20 . 1 1 37 37 LEU H H 108 7.737 7.737 8.387 -0.650 18437
5575 1 20 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.495 -0.784 18437
5576 1 20 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.418 0.254 18437
5577 1 20 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.407 0.666 18437
5578 1 20 . 1 1 39 39 GLY N N 110 112.032 112.032 112.462 -0.430 18437
5579 1 20 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.120 -0.277 18437
5580 1 20 . 1 1 39 39 GLY H H 110 9.026 9.026 8.298 0.728 18437
5581 1 20 . 1 1 40 40 THR N N 111 119.141 119.141 119.376 -0.235 18437
5582 1 20 . 1 1 40 40 THR HA H 111 4.330 4.330 4.625 -0.295 18437
5583 1 20 . 1 1 40 40 THR CA C 111 63.346 63.346 61.442 1.904 18437
5584 1 20 . 1 1 40 40 THR CB C 111 69.512 69.512 70.175 -0.663 18437
5585 1 20 . 1 1 40 40 THR H H 111 8.039 8.039 7.816 0.223 18437
5586 1 20 . 1 1 41 41 ALA N N 112 131.125 131.125 129.018 2.107 18437
5587 1 20 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.595 1.112 18437
5588 1 20 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.224 -0.912 18437
5589 1 20 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.719 0.203 18437
5590 1 20 . 1 1 41 41 ALA H H 112 8.900 8.900 8.529 0.371 18437
5591 1 20 . 1 1 42 42 PHE N N 113 116.476 116.476 121.496 -5.020 18437
5592 1 20 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.864 -0.206 18437
5593 1 20 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.459 1.212 18437
5594 1 20 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.671 -3.278 18437
5595 1 20 . 1 1 42 42 PHE H H 113 9.220 9.220 8.687 0.533 18437
5596 1 20 . 1 1 43 43 ARG N N 114 117.116 117.116 124.297 -7.181 18437
5597 1 20 . 1 1 43 43 ARG HA H 114 5.640 5.640 5.114 0.526 18437
5598 1 20 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.537 -0.467 18437
5599 1 20 . 1 1 43 43 ARG CB C 114 34.900 34.900 30.838 4.062 18437
5600 1 20 . 1 1 43 43 ARG H H 114 9.145 9.145 8.548 0.597 18437
5601 1 20 . 1 1 44 44 VAL N N 115 113.755 113.755 117.737 -3.982 18437
5602 1 20 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.750 0.103 18437
5603 1 20 . 1 1 44 44 VAL CA C 115 58.772 58.772 59.234 -0.462 18437
5604 1 20 . 1 1 44 44 VAL CB C 115 37.500 37.500 35.699 1.801 18437
5605 1 20 . 1 1 44 44 VAL H H 115 8.441 8.441 8.742 -0.301 18437
5606 1 20 . 1 1 45 45 SER N N 116 115.947 115.947 115.040 0.907 18437
5607 1 20 . 1 1 45 45 SER HA H 116 4.530 4.530 4.472 0.058 18437
5608 1 20 . 1 1 45 45 SER CA C 116 58.168 58.168 58.396 -0.228 18437
5609 1 20 . 1 1 45 45 SER CB C 116 64.399 64.399 63.311 1.088 18437
5610 1 20 . 1 1 45 45 SER H H 116 8.723 8.723 8.573 0.150 18437
5611 1 20 . 1 1 46 46 ALA N N 117 123.625 123.625 126.811 -3.186 18437
5612 1 20 . 1 1 46 46 ALA HA H 117 3.980 3.980 3.942 0.038 18437
5613 1 20 . 1 1 46 46 ALA CA C 117 55.772 55.772 55.338 0.434 18437
5614 1 20 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.634 -0.524 18437
5615 1 20 . 1 1 46 46 ALA H H 117 9.143 9.143 8.227 0.916 18437
5616 1 20 . 1 1 47 47 GLY N N 118 106.332 106.332 105.046 1.286 18437
5617 1 20 . 1 1 47 47 GLY CA C 118 46.900 46.900 45.948 0.952 18437
5618 1 20 . 1 1 47 47 GLY H H 118 8.937 8.937 8.413 0.524 18437
5619 1 20 . 1 1 48 48 VAL N N 119 124.965 124.965 123.052 1.913 18437
5620 1 20 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.720 0.123 18437
5621 1 20 . 1 1 48 48 VAL CA C 119 65.816 65.816 65.381 0.435 18437
5622 1 20 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.880 0.087 18437
5623 1 20 . 1 1 48 48 VAL H H 119 7.376 7.376 7.583 -0.207 18437
5624 1 20 . 1 1 49 49 ALA N N 120 122.605 122.605 121.522 1.083 18437
5625 1 20 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.905 -0.233 18437
5626 1 20 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.304 0.168 18437
5627 1 20 . 1 1 49 49 ALA CB C 120 18.454 18.454 17.896 0.558 18437
5628 1 20 . 1 1 49 49 ALA H H 120 8.805 8.805 8.334 0.471 18437
5629 1 20 . 1 1 50 50 ALA N N 121 119.852 119.852 120.276 -0.424 18437
5630 1 20 . 1 1 50 50 ALA HA H 121 4.088 4.088 3.998 0.090 18437
5631 1 20 . 1 1 50 50 ALA CA C 121 54.946 54.946 54.965 -0.019 18437
5632 1 20 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.236 -0.558 18437
5633 1 20 . 1 1 50 50 ALA H H 121 7.976 7.976 7.822 0.154 18437
5634 1 20 . 1 1 51 51 GLU N N 122 118.977 118.977 118.185 0.792 18437
5635 1 20 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.108 0.038 18437
5636 1 20 . 1 1 51 51 GLU CA C 122 59.272 59.272 59.041 0.231 18437
5637 1 20 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.687 0.013 18437
5638 1 20 . 1 1 51 51 GLU H H 122 7.369 7.369 7.722 -0.353 18437
5639 1 20 . 1 1 52 52 MET N N 123 116.735 116.735 118.068 -1.333 18437
5640 1 20 . 1 1 52 52 MET HA H 123 3.941 3.941 4.212 -0.271 18437
5641 1 20 . 1 1 52 52 MET CA C 123 60.416 60.416 58.253 2.163 18437
5642 1 20 . 1 1 52 52 MET CB C 123 33.973 33.973 31.726 2.247 18437
5643 1 20 . 1 1 52 52 MET H H 123 8.794 8.794 8.076 0.718 18437
5644 1 20 . 1 1 53 53 THR N N 124 112.866 112.866 110.395 2.471 18437
5645 1 20 . 1 1 53 53 THR HA H 124 4.605 4.605 4.357 0.248 18437
5646 1 20 . 1 1 53 53 THR CA C 124 64.742 64.742 65.516 -0.774 18437
5647 1 20 . 1 1 53 53 THR CB C 124 68.392 68.392 68.607 -0.215 18437
5648 1 20 . 1 1 53 53 THR H H 124 8.622 8.622 8.246 0.376 18437
5649 1 20 . 1 1 54 54 GLU N N 125 125.722 125.722 120.246 5.476 18437
5650 1 20 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.188 -0.045 18437
5651 1 20 . 1 1 54 54 GLU CA C 125 59.639 59.639 57.922 1.717 18437
5652 1 20 . 1 1 54 54 GLU H H 125 8.054 8.054 7.532 0.522 18437
5653 1 20 . 1 1 55 55 ARG N N 126 114.393 114.393 117.853 -3.460 18437
5654 1 20 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.268 0.105 18437
5655 1 20 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.855 -0.383 18437
5656 1 20 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.610 1.190 18437
5657 1 20 . 1 1 55 55 ARG H H 126 7.703 7.703 8.030 -0.327 18437
5658 1 20 . 1 1 56 56 GLY N N 127 107.070 107.070 105.462 1.608 18437
5659 1 20 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.581 0.619 18437
5660 1 20 . 1 1 56 56 GLY H H 127 7.759 7.759 8.208 -0.449 18437
5661 1 20 . 1 1 57 57 LEU N N 128 116.338 116.338 117.403 -1.065 18437
5662 1 20 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.655 -0.284 18437
5663 1 20 . 1 1 57 57 LEU CA C 128 55.572 55.572 54.776 0.796 18437
5664 1 20 . 1 1 57 57 LEU CB C 128 42.427 42.427 43.260 -0.833 18437
5665 1 20 . 1 1 57 57 LEU H H 128 8.293 8.293 7.588 0.705 18437
5666 1 20 . 1 1 58 58 ALA N N 129 116.379 116.379 119.503 -3.124 18437
5667 1 20 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.900 0.230 18437
5668 1 20 . 1 1 58 58 ALA CA C 129 50.142 50.142 50.976 -0.834 18437
5669 1 20 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.331 0.977 18437
5670 1 20 . 1 1 58 58 ALA H H 129 7.351 7.351 7.410 -0.059 18437
5671 1 20 . 1 1 59 59 ARG N N 130 115.969 115.969 120.494 -4.525 18437
5672 1 20 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.875 0.047 18437
5673 1 20 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.497 -1.308 18437
5674 1 20 . 1 1 59 59 ARG CB C 130 33.453 33.453 34.813 -1.360 18437
5675 1 20 . 1 1 59 59 ARG H H 130 8.771 8.771 8.697 0.074 18437
5676 1 20 . 1 1 60 60 MET N N 131 120.973 120.973 122.348 -1.375 18437
5677 1 20 . 1 1 60 60 MET HA H 131 4.415 4.415 4.348 0.067 18437
5678 1 20 . 1 1 60 60 MET CA C 131 55.677 55.677 56.900 -1.223 18437
5679 1 20 . 1 1 60 60 MET CB C 131 31.527 31.527 32.279 -0.751 18437
5680 1 20 . 1 1 60 60 MET H H 131 8.910 8.910 8.684 0.226 18437
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 57 3.502 1.018 3.381 18437
2 1 1 "Average Difference" HA 62 0.357 -0.073 0.352 18437
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18437
4 1 1 "Average Difference" CA 59 0.996 -0.082 1.001 18437
5 1 1 "Average Difference" CB 55 1.330 -0.242 1.319 18437
6 1 1 "Average Difference" HN 57 0.519 -0.186 0.488 18437
7 1 2 "Average Difference" N 57 3.377 0.963 3.266 18437
8 1 2 "Average Difference" HA 62 0.362 -0.068 0.359 18437
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18437
10 1 2 "Average Difference" CA 59 1.011 -0.045 1.019 18437
11 1 2 "Average Difference" CB 55 1.344 -0.227 1.337 18437
12 1 2 "Average Difference" HN 57 0.532 -0.201 0.497 18437
13 1 3 "Average Difference" N 57 3.364 0.903 3.270 18437
14 1 3 "Average Difference" HA 62 0.359 -0.067 0.356 18437
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18437
16 1 3 "Average Difference" CA 59 0.997 -0.092 1.001 18437
17 1 3 "Average Difference" CB 55 1.215 -0.178 1.213 18437
18 1 3 "Average Difference" HN 57 0.551 -0.193 0.520 18437
19 1 4 "Average Difference" N 57 3.522 1.001 3.407 18437
20 1 4 "Average Difference" HA 62 0.373 -0.066 0.370 18437
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18437
22 1 4 "Average Difference" CA 59 1.102 -0.007 1.112 18437
23 1 4 "Average Difference" CB 55 1.433 -0.187 1.433 18437
24 1 4 "Average Difference" HN 57 0.499 -0.169 0.473 18437
25 1 5 "Average Difference" N 57 3.558 0.814 3.494 18437
26 1 5 "Average Difference" HA 62 0.371 -0.073 0.367 18437
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18437
28 1 5 "Average Difference" CA 59 1.012 -0.102 1.015 18437
29 1 5 "Average Difference" CB 55 1.402 -0.258 1.390 18437
30 1 5 "Average Difference" HN 57 0.491 -0.177 0.462 18437
31 1 6 "Average Difference" N 57 3.480 1.025 3.355 18437
32 1 6 "Average Difference" HA 62 0.365 -0.077 0.360 18437
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18437
34 1 6 "Average Difference" CA 59 0.998 -0.030 1.006 18437
35 1 6 "Average Difference" CB 55 1.380 -0.232 1.373 18437
36 1 6 "Average Difference" HN 57 0.493 -0.186 0.461 18437
37 1 7 "Average Difference" N 57 3.400 1.036 3.267 18437
38 1 7 "Average Difference" HA 62 0.369 -0.067 0.366 18437
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18437
40 1 7 "Average Difference" CA 59 1.014 -0.082 1.019 18437
41 1 7 "Average Difference" CB 55 1.375 -0.364 1.338 18437
42 1 7 "Average Difference" HN 57 0.496 -0.165 0.472 18437
43 1 8 "Average Difference" N 57 3.432 0.842 3.356 18437
44 1 8 "Average Difference" HA 62 0.363 -0.072 0.358 18437
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18437
46 1 8 "Average Difference" CA 59 1.070 -0.031 1.079 18437
47 1 8 "Average Difference" CB 55 1.271 -0.145 1.275 18437
48 1 8 "Average Difference" HN 57 0.492 -0.169 0.466 18437
49 1 9 "Average Difference" N 57 3.485 0.996 3.369 18437
50 1 9 "Average Difference" HA 62 0.373 -0.084 0.366 18437
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18437
52 1 9 "Average Difference" CA 59 1.110 -0.039 1.119 18437
53 1 9 "Average Difference" CB 55 1.386 -0.259 1.374 18437
54 1 9 "Average Difference" HN 57 0.507 -0.191 0.473 18437
55 1 10 "Average Difference" N 57 3.444 0.954 3.339 18437
56 1 10 "Average Difference" HA 62 0.366 -0.060 0.364 18437
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18437
58 1 10 "Average Difference" CA 59 1.052 -0.005 1.061 18437
59 1 10 "Average Difference" CB 55 1.363 -0.183 1.363 18437
60 1 10 "Average Difference" HN 57 0.507 -0.194 0.473 18437
61 1 11 "Average Difference" N 57 3.262 0.800 3.190 18437
62 1 11 "Average Difference" HA 62 0.356 -0.079 0.349 18437
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18437
64 1 11 "Average Difference" CA 59 1.022 -0.082 1.027 18437
65 1 11 "Average Difference" CB 55 1.369 -0.223 1.363 18437
66 1 11 "Average Difference" HN 57 0.515 -0.189 0.484 18437
67 1 12 "Average Difference" N 57 3.487 0.958 3.382 18437
68 1 12 "Average Difference" HA 62 0.353 -0.083 0.346 18437
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18437
70 1 12 "Average Difference" CA 59 1.084 -0.009 1.093 18437
71 1 12 "Average Difference" CB 55 1.339 -0.210 1.334 18437
72 1 12 "Average Difference" HN 57 0.514 -0.168 0.490 18437
73 1 13 "Average Difference" N 57 3.321 0.922 3.219 18437
74 1 13 "Average Difference" HA 62 0.355 -0.072 0.350 18437
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18437
76 1 13 "Average Difference" CA 59 1.017 -0.017 1.026 18437
77 1 13 "Average Difference" CB 55 1.287 -0.197 1.284 18437
78 1 13 "Average Difference" HN 57 0.494 -0.195 0.458 18437
79 1 14 "Average Difference" N 57 3.465 0.965 3.357 18437
80 1 14 "Average Difference" HA 62 0.364 -0.078 0.359 18437
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18437
82 1 14 "Average Difference" CA 59 1.055 -0.026 1.064 18437
83 1 14 "Average Difference" CB 55 1.343 -0.222 1.336 18437
84 1 14 "Average Difference" HN 57 0.535 -0.190 0.505 18437
85 1 15 "Average Difference" N 57 3.427 0.827 3.356 18437
86 1 15 "Average Difference" HA 62 0.359 -0.080 0.353 18437
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18437
88 1 15 "Average Difference" CA 59 1.019 -0.020 1.028 18437
89 1 15 "Average Difference" CB 55 1.243 -0.134 1.247 18437
90 1 15 "Average Difference" HN 57 0.521 -0.183 0.492 18437
91 1 16 "Average Difference" N 57 3.480 0.894 3.393 18437
92 1 16 "Average Difference" HA 62 0.363 -0.077 0.358 18437
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18437
94 1 16 "Average Difference" CA 59 1.070 0.007 1.079 18437
95 1 16 "Average Difference" CB 55 1.409 -0.256 1.398 18437
96 1 16 "Average Difference" HN 57 0.523 -0.204 0.486 18437
97 1 17 "Average Difference" N 57 3.453 0.949 3.349 18437
98 1 17 "Average Difference" HA 62 0.365 -0.072 0.361 18437
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18437
100 1 17 "Average Difference" CA 59 1.106 -0.082 1.112 18437
101 1 17 "Average Difference" CB 55 1.407 -0.207 1.405 18437
102 1 17 "Average Difference" HN 57 0.549 -0.219 0.508 18437
103 1 18 "Average Difference" N 57 3.326 0.954 3.214 18437
104 1 18 "Average Difference" HA 62 0.375 -0.072 0.371 18437
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18437
106 1 18 "Average Difference" CA 59 1.015 -0.061 1.022 18437
107 1 18 "Average Difference" CB 55 1.286 -0.203 1.281 18437
108 1 18 "Average Difference" HN 57 0.522 -0.225 0.476 18437
109 1 19 "Average Difference" N 57 3.377 0.906 3.282 18437
110 1 19 "Average Difference" HA 62 0.366 -0.081 0.360 18437
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18437
112 1 19 "Average Difference" CA 59 1.034 0.020 1.042 18437
113 1 19 "Average Difference" CB 55 1.308 -0.162 1.310 18437
114 1 19 "Average Difference" HN 57 0.532 -0.211 0.492 18437
115 1 20 "Average Difference" N 57 3.283 0.673 3.241 18437
116 1 20 "Average Difference" HA 62 0.354 -0.070 0.350 18437
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18437
118 1 20 "Average Difference" CA 59 1.013 -0.062 1.020 18437
119 1 20 "Average Difference" CB 55 1.233 -0.121 1.238 18437
120 1 20 "Average Difference" HN 57 0.503 -0.179 0.474 18437
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Model_type average
_Entity_delta_chem_shifts.Entry_ID 18437
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 ASP N N 73 119.729 119.729 118.245 1.484 18437
2 1 . 1 1 2 2 ASP HA H 73 4.620 4.620 4.683 -0.063 18437
3 1 . 1 1 2 2 ASP CA C 73 54.246 54.246 54.622 -0.376 18437
4 1 . 1 1 2 2 ASP CB C 73 41.077 41.077 41.568 -0.491 18437
5 1 . 1 1 2 2 ASP H H 73 8.508 8.508 8.513 -0.005 18437
6 1 . 1 1 3 3 THR N N 74 114.613 114.613 115.080 -0.467 18437
7 1 . 1 1 3 3 THR HA H 74 4.328 4.328 4.417 -0.089 18437
8 1 . 1 1 3 3 THR CA C 74 62.046 62.046 62.428 -0.382 18437
9 1 . 1 1 3 3 THR CB C 74 69.779 69.779 70.807 -1.028 18437
10 1 . 1 1 3 3 THR H H 74 8.047 8.047 7.906 0.141 18437
11 1 . 1 1 4 4 VAL N N 75 123.803 123.803 121.122 2.681 18437
12 1 . 1 1 4 4 VAL HA H 75 4.123 4.123 3.824 0.299 18437
13 1 . 1 1 4 4 VAL CA C 75 62.272 62.272 62.927 -0.655 18437
14 1 . 1 1 4 4 VAL CB C 75 32.873 32.873 30.928 1.945 18437
15 1 . 1 1 4 4 VAL H H 75 8.225 8.225 7.990 0.235 18437
16 1 . 1 1 5 5 ILE N N 76 126.050 126.050 121.668 4.382 18437
17 1 . 1 1 5 5 ILE HA H 76 4.172 4.172 4.382 -0.210 18437
18 1 . 1 1 5 5 ILE CA C 76 60.469 60.469 60.090 0.379 18437
19 1 . 1 1 5 5 ILE CB C 76 38.570 38.570 38.711 -0.141 18437
20 1 . 1 1 5 5 ILE H H 76 8.349 8.349 7.701 0.648 18437
21 1 . 1 1 6 6 LEU N N 77 127.505 127.505 128.743 -1.238 18437
22 1 . 1 1 6 6 LEU HA H 77 4.374 4.374 4.572 -0.198 18437
23 1 . 1 1 6 6 LEU CA C 77 55.042 55.042 54.879 0.163 18437
24 1 . 1 1 6 6 LEU CB C 77 42.700 42.700 42.441 0.260 18437
25 1 . 1 1 6 6 LEU H H 77 8.408 8.408 8.465 -0.057 18437
26 1 . 1 1 7 7 ASP N N 78 122.422 122.422 125.456 -3.034 18437
27 1 . 1 1 7 7 ASP HA H 78 4.809 4.809 4.892 -0.083 18437
28 1 . 1 1 7 7 ASP CA C 78 53.746 53.746 54.215 -0.470 18437
29 1 . 1 1 7 7 ASP CB C 78 41.327 41.327 42.108 -0.781 18437
30 1 . 1 1 7 7 ASP H H 78 8.468 8.468 8.610 -0.142 18437
31 1 . 1 1 8 8 THR N N 79 115.682 115.682 112.867 2.815 18437
32 1 . 1 1 8 8 THR HA H 79 4.237 4.237 4.601 -0.364 18437
33 1 . 1 1 8 8 THR CA C 79 62.272 62.272 61.287 0.986 18437
34 1 . 1 1 8 8 THR CB C 79 68.766 68.766 70.312 -1.546 18437
35 1 . 1 1 8 8 THR H H 79 8.447 8.447 7.942 0.505 18437
36 1 . 1 1 9 9 SER N N 80 118.485 118.485 116.520 1.965 18437
37 1 . 1 1 9 9 SER HA H 80 4.349 4.349 4.527 -0.178 18437
38 1 . 1 1 9 9 SER CA C 80 60.346 60.346 58.678 1.668 18437
39 1 . 1 1 9 9 SER CB C 80 63.372 63.372 63.573 -0.200 18437
40 1 . 1 1 9 9 SER H H 80 8.521 8.521 8.310 0.211 18437
41 1 . 1 1 10 10 GLU N N 81 121.082 121.082 121.959 -0.877 18437
42 1 . 1 1 10 10 GLU HA H 81 4.399 4.399 4.433 -0.034 18437
43 1 . 1 1 10 10 GLU CA C 81 55.946 55.946 56.069 -0.123 18437
44 1 . 1 1 10 10 GLU CB C 81 30.073 30.073 30.264 -0.191 18437
45 1 . 1 1 10 10 GLU H H 81 8.192 8.192 8.376 -0.184 18437
46 1 . 1 1 11 11 LEU N N 82 120.855 120.855 122.732 -1.877 18437
47 1 . 1 1 11 11 LEU HA H 82 4.486 4.486 4.472 0.014 18437
48 1 . 1 1 11 11 LEU CA C 82 54.319 54.319 55.157 -0.838 18437
49 1 . 1 1 11 11 LEU CB C 82 43.302 43.302 42.508 0.794 18437
50 1 . 1 1 11 11 LEU H H 82 7.804 7.804 8.251 -0.447 18437
51 1 . 1 1 12 12 VAL N N 83 119.700 119.700 118.825 0.875 18437
52 1 . 1 1 12 12 VAL HA H 83 4.429 4.429 4.579 -0.150 18437
53 1 . 1 1 12 12 VAL CA C 83 60.069 60.069 60.137 -0.068 18437
54 1 . 1 1 12 12 VAL CB C 83 34.830 34.830 34.632 0.198 18437
55 1 . 1 1 12 12 VAL H H 83 9.270 9.270 9.002 0.268 18437
56 1 . 1 1 13 13 THR N N 84 118.866 118.866 123.221 -4.355 18437
57 1 . 1 1 13 13 THR HA H 84 4.838 4.838 4.272 0.566 18437
58 1 . 1 1 13 13 THR CA C 84 62.246 62.246 63.206 -0.960 18437
59 1 . 1 1 13 13 THR CB C 84 68.463 68.463 68.975 -0.512 18437
60 1 . 1 1 13 13 THR H H 84 8.380 8.380 8.598 -0.218 18437
61 1 . 1 1 14 14 VAL N N 85 120.684 120.684 128.045 -7.361 18437
62 1 . 1 1 14 14 VAL HA H 85 4.786 4.786 4.313 0.473 18437
63 1 . 1 1 14 14 VAL CA C 85 57.719 57.719 60.326 -2.607 18437
64 1 . 1 1 14 14 VAL CB C 85 35.000 35.000 35.396 -0.396 18437
65 1 . 1 1 14 14 VAL H H 85 8.678 8.678 8.329 0.349 18437
66 1 . 1 1 15 15 VAL N N 86 116.897 116.897 128.288 -11.391 18437
67 1 . 1 1 15 15 VAL HA H 86 4.583 4.583 5.043 -0.460 18437
68 1 . 1 1 15 15 VAL CA C 86 60.546 60.546 58.678 1.868 18437
69 1 . 1 1 15 15 VAL CB C 86 34.700 34.700 35.467 -0.767 18437
70 1 . 1 1 15 15 VAL H H 86 8.926 8.926 8.863 0.063 18437
71 1 . 1 1 16 16 ALA N N 87 127.774 127.774 130.685 -2.911 18437
72 1 . 1 1 16 16 ALA HA H 87 4.357 4.357 4.505 -0.148 18437
73 1 . 1 1 16 16 ALA CA C 87 53.527 53.527 52.419 1.108 18437
74 1 . 1 1 16 16 ALA CB C 87 19.248 19.248 19.796 -0.548 18437
75 1 . 1 1 16 16 ALA H H 87 8.508 8.508 8.474 0.034 18437
76 1 . 1 1 17 17 LEU N N 88 122.162 122.162 121.717 0.445 18437
77 1 . 1 1 17 17 LEU HA H 88 4.565 4.565 4.610 -0.045 18437
78 1 . 1 1 17 17 LEU CA C 88 55.019 55.019 55.944 -0.926 18437
79 1 . 1 1 17 17 LEU CB C 88 42.700 42.700 42.578 0.122 18437
80 1 . 1 1 17 17 LEU H H 88 9.104 9.104 8.937 0.167 18437
81 1 . 1 1 18 18 VAL N N 89 112.263 112.263 113.016 -0.753 18437
82 1 . 1 1 18 18 VAL HA H 89 4.532 4.532 4.466 0.066 18437
83 1 . 1 1 18 18 VAL CA C 89 58.446 58.446 59.553 -1.107 18437
84 1 . 1 1 18 18 VAL CB C 89 36.300 36.300 35.116 1.183 18437
85 1 . 1 1 18 18 VAL H H 89 7.444 7.444 7.552 -0.108 18437
86 1 . 1 1 19 19 LYS N N 90 118.799 118.799 122.340 -3.541 18437
87 1 . 1 1 19 19 LYS HA H 90 4.582 4.582 4.216 0.366 18437
88 1 . 1 1 19 19 LYS CA C 90 56.946 56.946 57.191 -0.245 18437
89 1 . 1 1 19 19 LYS CB C 90 32.573 32.573 31.087 1.486 18437
90 1 . 1 1 19 19 LYS H H 90 8.198 8.198 8.373 -0.175 18437
91 1 . 1 1 20 20 LEU N N 91 124.814 124.814 125.936 -1.122 18437
92 1 . 1 1 20 20 LEU HA H 91 4.750 4.750 4.782 -0.032 18437
93 1 . 1 1 20 20 LEU CA C 91 54.132 54.132 54.504 -0.372 18437
94 1 . 1 1 20 20 LEU CB C 91 46.400 46.400 46.533 -0.133 18437
95 1 . 1 1 20 20 LEU H H 91 8.351 8.351 7.917 0.434 18437
96 1 . 1 1 21 21 HIS N N 92 121.971 121.971 123.449 -1.478 18437
97 1 . 1 1 21 21 HIS HA H 92 5.112 5.112 4.842 0.270 18437
98 1 . 1 1 21 21 HIS CA C 92 55.553 55.553 55.278 0.275 18437
99 1 . 1 1 21 21 HIS CB C 92 30.227 30.227 30.316 -0.088 18437
100 1 . 1 1 21 21 HIS H H 92 8.555 8.555 8.602 -0.047 18437
101 1 . 1 1 22 22 THR N N 93 119.332 119.332 117.566 1.766 18437
102 1 . 1 1 22 22 THR HA H 93 4.492 4.492 4.484 0.008 18437
103 1 . 1 1 22 22 THR CA C 93 59.546 59.546 60.399 -0.853 18437
104 1 . 1 1 22 22 THR CB C 93 69.472 69.472 70.571 -1.099 18437
105 1 . 1 1 22 22 THR H H 93 8.182 8.182 7.959 0.223 18437
106 1 . 1 1 23 23 ASP N N 94 121.861 121.861 127.260 -5.399 18437
107 1 . 1 1 23 23 ASP HA H 94 4.979 4.979 5.188 -0.209 18437
108 1 . 1 1 23 23 ASP CA C 94 53.673 53.673 53.003 0.670 18437
109 1 . 1 1 23 23 ASP CB C 94 41.027 41.027 40.915 0.112 18437
110 1 . 1 1 23 23 ASP H H 94 8.133 8.133 8.481 -0.348 18437
111 1 . 1 1 24 24 ALA N N 95 125.785 125.785 126.925 -1.140 18437
112 1 . 1 1 24 24 ALA HA H 95 5.153 5.153 4.662 0.491 18437
113 1 . 1 1 24 24 ALA CA C 95 50.916 50.916 50.839 0.077 18437
114 1 . 1 1 24 24 ALA CB C 95 24.090 24.090 21.729 2.361 18437
115 1 . 1 1 24 24 ALA H H 95 7.992 7.992 8.304 -0.312 18437
116 1 . 1 1 25 25 LEU N N 96 120.726 120.726 124.040 -3.314 18437
117 1 . 1 1 25 25 LEU HA H 96 5.311 5.311 4.481 0.830 18437
118 1 . 1 1 25 25 LEU CA C 96 53.416 53.416 53.988 -0.572 18437
119 1 . 1 1 25 25 LEU CB C 96 46.000 46.000 43.208 2.792 18437
120 1 . 1 1 25 25 LEU H H 96 8.661 8.661 8.542 0.119 18437
121 1 . 1 1 26 26 HIS N N 97 121.175 121.175 125.050 -3.876 18437
122 1 . 1 1 26 26 HIS HA H 97 4.269 4.269 4.393 -0.124 18437
123 1 . 1 1 26 26 HIS CA C 97 58.316 58.316 56.732 1.584 18437
124 1 . 1 1 26 26 HIS CB C 97 30.973 30.973 30.815 0.158 18437
125 1 . 1 1 26 26 HIS H H 97 8.725 8.725 8.177 0.548 18437
126 1 . 1 1 27 27 ALA N N 98 126.618 126.618 130.157 -3.539 18437
127 1 . 1 1 27 27 ALA HA H 98 3.759 3.759 4.314 -0.555 18437
128 1 . 1 1 27 27 ALA CA C 98 56.672 56.672 54.066 2.606 18437
129 1 . 1 1 27 27 ALA CB C 98 19.377 19.377 19.271 0.106 18437
130 1 . 1 1 27 27 ALA H H 98 8.260 8.260 8.695 -0.435 18437
131 1 . 1 1 28 28 THR N N 99 107.369 107.369 111.771 -4.402 18437
132 1 . 1 1 28 28 THR HA H 99 4.584 4.584 4.180 0.404 18437
133 1 . 1 1 28 28 THR CA C 99 61.872 61.872 63.436 -1.564 18437
134 1 . 1 1 28 28 THR CB C 99 70.442 70.442 69.106 1.336 18437
135 1 . 1 1 28 28 THR H H 99 10.304 10.304 8.205 2.099 18437
136 1 . 1 1 29 29 ARG N N 100 124.395 124.395 120.353 4.042 18437
137 1 . 1 1 29 29 ARG HA H 100 4.567 4.567 4.471 0.096 18437
138 1 . 1 1 29 29 ARG CA C 100 55.246 55.246 54.809 0.437 18437
139 1 . 1 1 29 29 ARG CB C 100 32.673 32.673 31.420 1.253 18437
140 1 . 1 1 29 29 ARG H H 100 9.037 9.037 7.745 1.291 18437
141 1 . 1 1 30 30 ASP N N 101 124.596 124.596 120.858 3.738 18437
142 1 . 1 1 30 30 ASP HA H 101 4.733 4.733 4.818 -0.085 18437
143 1 . 1 1 30 30 ASP CA C 101 52.916 52.916 53.903 -0.987 18437
144 1 . 1 1 30 30 ASP CB C 101 38.097 38.097 40.482 -2.385 18437
145 1 . 1 1 30 30 ASP H H 101 8.898 8.898 8.469 0.429 18437
146 1 . 1 1 31 31 GLU N N 102 121.916 121.916 121.478 0.438 18437
147 1 . 1 1 31 31 GLU HA H 102 4.918 4.918 4.653 0.265 18437
148 1 . 1 1 31 31 GLU CA C 102 52.546 52.546 54.364 -1.818 18437
149 1 . 1 1 31 31 GLU CB C 102 33.062 33.062 32.561 0.501 18437
150 1 . 1 1 31 31 GLU H H 102 7.876 7.876 8.282 -0.406 18437
151 1 . 1 1 32 32 PRO HA H 103 5.099 5.099 4.448 0.651 18437
152 1 . 1 1 32 32 PRO CA C 103 62.689 62.689 62.468 0.221 18437
153 1 . 1 1 32 32 PRO CB C 103 33.140 33.140 32.600 0.540 18437
154 1 . 1 1 33 33 VAL N N 104 118.661 118.661 119.333 -0.672 18437
155 1 . 1 1 33 33 VAL HA H 104 4.403 4.403 4.156 0.247 18437
156 1 . 1 1 33 33 VAL CA C 104 61.216 61.216 61.231 -0.015 18437
157 1 . 1 1 33 33 VAL CB C 104 35.543 35.543 33.616 1.927 18437
158 1 . 1 1 33 33 VAL H H 104 8.362 8.362 8.123 0.239 18437
159 1 . 1 1 34 34 ALA N N 105 126.902 126.902 128.976 -2.074 18437
160 1 . 1 1 34 34 ALA HA H 105 5.170 5.170 4.583 0.587 18437
161 1 . 1 1 34 34 ALA CA C 105 51.622 51.622 52.211 -0.589 18437
162 1 . 1 1 34 34 ALA CB C 105 21.017 21.017 21.097 -0.080 18437
163 1 . 1 1 34 34 ALA H H 105 8.726 8.726 8.409 0.317 18437
164 1 . 1 1 35 35 PHE N N 106 119.156 119.156 113.886 5.270 18437
165 1 . 1 1 35 35 PHE HA H 106 5.236 5.236 4.488 0.748 18437
166 1 . 1 1 35 35 PHE CA C 106 56.646 56.646 55.345 1.301 18437
167 1 . 1 1 35 35 PHE CB C 106 41.300 41.300 40.518 0.782 18437
168 1 . 1 1 35 35 PHE H H 106 7.597 7.597 6.959 0.638 18437
169 1 . 1 1 36 36 VAL N N 107 120.344 120.344 118.504 1.840 18437
170 1 . 1 1 36 36 VAL HA H 107 4.219 4.219 4.317 -0.098 18437
171 1 . 1 1 36 36 VAL CA C 107 59.546 59.546 59.578 -0.032 18437
172 1 . 1 1 36 36 VAL CB C 107 35.200 35.200 33.970 1.230 18437
173 1 . 1 1 36 36 VAL H H 107 8.267 8.267 8.489 -0.222 18437
174 1 . 1 1 37 37 LEU N N 108 121.820 121.820 120.975 0.845 18437
175 1 . 1 1 37 37 LEU HA H 108 4.429 4.429 4.893 -0.464 18437
176 1 . 1 1 37 37 LEU CA C 108 51.866 51.866 51.751 0.115 18437
177 1 . 1 1 37 37 LEU CB C 108 41.100 41.100 43.288 -2.188 18437
178 1 . 1 1 37 37 LEU H H 108 7.737 7.737 8.403 -0.666 18437
179 1 . 1 1 38 38 PRO HA H 109 3.711 3.711 4.516 -0.805 18437
180 1 . 1 1 38 38 PRO CA C 109 63.672 63.672 63.526 0.146 18437
181 1 . 1 1 38 38 PRO CB C 109 31.073 31.073 30.348 0.725 18437
182 1 . 1 1 39 39 GLY N N 110 112.032 112.032 112.027 0.005 18437
183 1 . 1 1 39 39 GLY CA C 110 44.843 44.843 45.254 -0.411 18437
184 1 . 1 1 39 39 GLY H H 110 9.026 9.026 8.366 0.660 18437
185 1 . 1 1 40 40 THR N N 111 119.141 119.141 119.799 -0.658 18437
186 1 . 1 1 40 40 THR HA H 111 4.330 4.330 4.536 -0.206 18437
187 1 . 1 1 40 40 THR CA C 111 63.346 63.346 62.050 1.296 18437
188 1 . 1 1 40 40 THR CB C 111 69.512 69.512 70.041 -0.529 18437
189 1 . 1 1 40 40 THR H H 111 8.039 8.039 7.900 0.139 18437
190 1 . 1 1 41 41 ALA N N 112 131.125 131.125 129.202 1.923 18437
191 1 . 1 1 41 41 ALA HA H 112 5.707 5.707 4.565 1.142 18437
192 1 . 1 1 41 41 ALA CA C 112 50.312 50.312 51.218 -0.906 18437
193 1 . 1 1 41 41 ALA CB C 112 19.922 19.922 19.577 0.345 18437
194 1 . 1 1 41 41 ALA H H 112 8.900 8.900 8.555 0.345 18437
195 1 . 1 1 42 42 PHE N N 113 116.476 116.476 121.641 -5.165 18437
196 1 . 1 1 42 42 PHE HA H 113 4.658 4.658 4.884 -0.226 18437
197 1 . 1 1 42 42 PHE CA C 113 56.672 56.672 55.404 1.268 18437
198 1 . 1 1 42 42 PHE CB C 113 38.393 38.393 41.615 -3.222 18437
199 1 . 1 1 42 42 PHE H H 113 9.220 9.220 8.644 0.576 18437
200 1 . 1 1 43 43 ARG N N 114 117.116 117.116 123.781 -6.665 18437
201 1 . 1 1 43 43 ARG HA H 114 5.640 5.640 5.091 0.549 18437
202 1 . 1 1 43 43 ARG CA C 114 55.070 55.070 55.696 -0.626 18437
203 1 . 1 1 43 43 ARG CB C 114 34.900 34.900 30.956 3.944 18437
204 1 . 1 1 43 43 ARG H H 114 9.145 9.145 8.554 0.591 18437
205 1 . 1 1 44 44 VAL N N 115 113.755 113.755 117.608 -3.853 18437
206 1 . 1 1 44 44 VAL HA H 115 4.853 4.853 4.675 0.178 18437
207 1 . 1 1 44 44 VAL CA C 115 58.772 58.772 59.205 -0.433 18437
208 1 . 1 1 44 44 VAL CB C 115 37.500 37.500 35.369 2.131 18437
209 1 . 1 1 44 44 VAL H H 115 8.441 8.441 8.708 -0.267 18437
210 1 . 1 1 45 45 SER N N 116 115.947 115.947 114.905 1.042 18437
211 1 . 1 1 45 45 SER HA H 116 4.530 4.530 4.512 0.018 18437
212 1 . 1 1 45 45 SER CA C 116 58.168 58.168 57.924 0.244 18437
213 1 . 1 1 45 45 SER CB C 116 64.399 64.399 63.936 0.463 18437
214 1 . 1 1 45 45 SER H H 116 8.723 8.723 8.482 0.241 18437
215 1 . 1 1 46 46 ALA N N 117 123.625 123.625 127.310 -3.685 18437
216 1 . 1 1 46 46 ALA HA H 117 3.980 3.980 4.031 -0.051 18437
217 1 . 1 1 46 46 ALA CA C 117 55.772 55.772 55.051 0.721 18437
218 1 . 1 1 46 46 ALA CB C 117 18.110 18.110 18.724 -0.613 18437
219 1 . 1 1 46 46 ALA H H 117 9.143 9.143 8.777 0.366 18437
220 1 . 1 1 47 47 GLY N N 118 106.332 106.332 105.826 0.506 18437
221 1 . 1 1 47 47 GLY CA C 118 46.900 46.900 46.167 0.733 18437
222 1 . 1 1 47 47 GLY H H 118 8.937 8.937 7.999 0.938 18437
223 1 . 1 1 48 48 VAL N N 119 124.965 124.965 123.213 1.751 18437
224 1 . 1 1 48 48 VAL HA H 119 3.843 3.843 3.739 0.104 18437
225 1 . 1 1 48 48 VAL CA C 119 65.816 65.816 65.010 0.806 18437
226 1 . 1 1 48 48 VAL CB C 119 31.967 31.967 31.559 0.408 18437
227 1 . 1 1 48 48 VAL H H 119 7.376 7.376 7.595 -0.219 18437
228 1 . 1 1 49 49 ALA N N 120 122.605 122.605 121.520 1.085 18437
229 1 . 1 1 49 49 ALA HA H 120 3.672 3.672 3.904 -0.232 18437
230 1 . 1 1 49 49 ALA CA C 120 55.472 55.472 55.316 0.156 18437
231 1 . 1 1 49 49 ALA CB C 120 18.454 18.454 17.909 0.545 18437
232 1 . 1 1 49 49 ALA H H 120 8.805 8.805 8.228 0.577 18437
233 1 . 1 1 50 50 ALA N N 121 119.852 119.852 120.216 -0.364 18437
234 1 . 1 1 50 50 ALA HA H 121 4.088 4.088 4.001 0.087 18437
235 1 . 1 1 50 50 ALA CA C 121 54.946 54.946 54.950 -0.003 18437
236 1 . 1 1 50 50 ALA CB C 121 17.678 17.678 18.239 -0.561 18437
237 1 . 1 1 50 50 ALA H H 121 7.976 7.976 7.846 0.130 18437
238 1 . 1 1 51 51 GLU N N 122 118.977 118.977 118.214 0.763 18437
239 1 . 1 1 51 51 GLU HA H 122 4.146 4.146 4.133 0.013 18437
240 1 . 1 1 51 51 GLU CA C 122 59.272 59.272 58.934 0.338 18437
241 1 . 1 1 51 51 GLU CB C 122 29.700 29.700 29.642 0.058 18437
242 1 . 1 1 51 51 GLU H H 122 7.369 7.369 7.707 -0.338 18437
243 1 . 1 1 52 52 MET N N 123 116.735 116.735 117.853 -1.118 18437
244 1 . 1 1 52 52 MET HA H 123 3.941 3.941 4.218 -0.277 18437
245 1 . 1 1 52 52 MET CA C 123 60.416 60.416 58.176 2.240 18437
246 1 . 1 1 52 52 MET CB C 123 33.973 33.973 31.799 2.174 18437
247 1 . 1 1 52 52 MET H H 123 8.794 8.794 8.126 0.668 18437
248 1 . 1 1 53 53 THR N N 124 112.866 112.866 110.143 2.723 18437
249 1 . 1 1 53 53 THR HA H 124 4.605 4.605 4.342 0.263 18437
250 1 . 1 1 53 53 THR CA C 124 64.742 64.742 64.950 -0.208 18437
251 1 . 1 1 53 53 THR CB C 124 68.392 68.392 68.747 -0.355 18437
252 1 . 1 1 53 53 THR H H 124 8.622 8.622 8.255 0.367 18437
253 1 . 1 1 54 54 GLU N N 125 125.722 125.722 120.459 5.263 18437
254 1 . 1 1 54 54 GLU HA H 125 4.143 4.143 4.160 -0.017 18437
255 1 . 1 1 54 54 GLU CA C 125 59.639 59.639 58.119 1.520 18437
256 1 . 1 1 54 54 GLU H H 125 8.054 8.054 7.543 0.512 18437
257 1 . 1 1 55 55 ARG N N 126 114.393 114.393 117.548 -3.155 18437
258 1 . 1 1 55 55 ARG HA H 126 4.373 4.373 4.296 0.077 18437
259 1 . 1 1 55 55 ARG CA C 126 56.472 56.472 56.700 -0.227 18437
260 1 . 1 1 55 55 ARG CB C 126 31.800 31.800 30.750 1.050 18437
261 1 . 1 1 55 55 ARG H H 126 7.703 7.703 7.958 -0.255 18437
262 1 . 1 1 56 56 GLY N N 127 107.070 107.070 106.084 0.986 18437
263 1 . 1 1 56 56 GLY CA C 127 46.200 46.200 45.733 0.467 18437
264 1 . 1 1 56 56 GLY H H 127 7.759 7.759 7.956 -0.197 18437
265 1 . 1 1 57 57 LEU N N 128 116.338 116.338 117.823 -1.485 18437
266 1 . 1 1 57 57 LEU HA H 128 4.371 4.371 4.612 -0.241 18437
267 1 . 1 1 57 57 LEU CA C 128 55.572 55.572 54.930 0.641 18437
268 1 . 1 1 57 57 LEU CB C 128 42.427 42.427 43.056 -0.629 18437
269 1 . 1 1 57 57 LEU H H 128 8.293 8.293 7.583 0.710 18437
270 1 . 1 1 58 58 ALA N N 129 116.379 116.379 119.254 -2.875 18437
271 1 . 1 1 58 58 ALA HA H 129 5.130 5.130 4.924 0.206 18437
272 1 . 1 1 58 58 ALA CA C 129 50.142 50.142 50.890 -0.748 18437
273 1 . 1 1 58 58 ALA CB C 129 23.308 23.308 22.376 0.932 18437
274 1 . 1 1 58 58 ALA H H 129 7.351 7.351 7.403 -0.052 18437
275 1 . 1 1 59 59 ARG N N 130 115.969 115.969 120.669 -4.700 18437
276 1 . 1 1 59 59 ARG HA H 130 4.922 4.922 4.858 0.064 18437
277 1 . 1 1 59 59 ARG CA C 130 53.189 53.189 54.515 -1.326 18437
278 1 . 1 1 59 59 ARG CB C 130 33.453 33.453 34.465 -1.012 18437
279 1 . 1 1 59 59 ARG H H 130 8.771 8.771 8.840 -0.069 18437
280 1 . 1 1 60 60 MET N N 131 120.973 120.973 123.504 -2.531 18437
281 1 . 1 1 60 60 MET HA H 131 4.415 4.415 4.388 0.027 18437
282 1 . 1 1 60 60 MET CA C 131 55.677 55.677 56.768 -1.091 18437
283 1 . 1 1 60 60 MET CB C 131 31.527 31.527 32.305 -0.778 18437
284 1 . 1 1 60 60 MET H H 131 8.910 8.910 8.701 0.209 18437
stop_
save_