data_18325
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18325
_Entry.PDB_ID 2LQQ
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 18325
_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 VAL HA H 2 4.195 4.195 4.215 -0.020 18325
2 1 1 . 1 1 2 2 VAL C C 2 175.805 175.805 175.329 0.476 18325
3 1 1 . 1 1 2 2 VAL CA C 2 62.388 62.388 62.454 -0.066 18325
4 1 1 . 1 1 2 2 VAL CB C 2 32.777 32.777 31.917 0.860 18325
5 1 1 . 1 1 3 3 THR N N 3 119.229 119.229 124.845 -5.616 18325
6 1 1 . 1 1 3 3 THR HA H 3 4.259 4.259 4.276 -0.017 18325
7 1 1 . 1 1 3 3 THR C C 3 173.761 173.761 173.372 0.389 18325
8 1 1 . 1 1 3 3 THR CA C 3 61.673 61.673 62.689 -1.016 18325
9 1 1 . 1 1 3 3 THR CB C 3 69.846 69.846 68.869 0.977 18325
10 1 1 . 1 1 3 3 THR H H 3 8.256 8.256 8.205 0.051 18325
11 1 1 . 1 1 4 4 ALA N N 4 126.635 126.635 130.605 -3.970 18325
12 1 1 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.585 -0.431 18325
13 1 1 . 1 1 4 4 ALA C C 4 177.002 177.002 176.711 0.291 18325
14 1 1 . 1 1 4 4 ALA CA C 4 52.159 52.159 51.492 0.667 18325
15 1 1 . 1 1 4 4 ALA CB C 4 19.512 19.512 18.864 0.648 18325
16 1 1 . 1 1 4 4 ALA H H 4 8.367 8.367 8.331 0.036 18325
17 1 1 . 1 1 5 5 ALA N N 5 123.621 123.621 126.583 -2.962 18325
18 1 1 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.418 -0.151 18325
19 1 1 . 1 1 5 5 ALA C C 5 176.288 176.288 176.227 0.061 18325
20 1 1 . 1 1 5 5 ALA CA C 5 52.894 52.894 51.973 0.921 18325
21 1 1 . 1 1 5 5 ALA CB C 5 19.494 19.494 19.756 -0.262 18325
22 1 1 . 1 1 5 5 ALA H H 5 8.374 8.374 8.413 -0.039 18325
23 1 1 . 1 1 6 6 LEU N N 6 115.731 115.731 118.322 -2.591 18325
24 1 1 . 1 1 6 6 LEU HA H 6 4.648 4.648 4.625 0.023 18325
25 1 1 . 1 1 6 6 LEU C C 6 175.007 175.007 175.616 -0.609 18325
26 1 1 . 1 1 6 6 LEU CA C 6 54.263 54.263 53.182 1.081 18325
27 1 1 . 1 1 6 6 LEU CB C 6 44.224 44.224 43.550 0.674 18325
28 1 1 . 1 1 6 6 LEU H H 6 7.478 7.478 7.342 0.136 18325
29 1 1 . 1 1 7 7 THR N N 7 119.383 119.383 121.678 -2.295 18325
30 1 1 . 1 1 7 7 THR HA H 7 4.906 4.906 4.990 -0.084 18325
31 1 1 . 1 1 7 7 THR C C 7 172.657 172.657 173.768 -1.111 18325
32 1 1 . 1 1 7 7 THR CA C 7 61.586 61.586 62.166 -0.580 18325
33 1 1 . 1 1 7 7 THR CB C 7 70.917 70.917 68.984 1.933 18325
34 1 1 . 1 1 7 7 THR H H 7 8.342 8.342 9.084 -0.742 18325
35 1 1 . 1 1 8 8 ILE N N 8 124.711 124.711 127.248 -2.537 18325
36 1 1 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.678 -0.103 18325
37 1 1 . 1 1 8 8 ILE C C 8 172.650 172.650 174.792 -2.142 18325
38 1 1 . 1 1 8 8 ILE CA C 8 59.206 59.206 59.820 -0.614 18325
39 1 1 . 1 1 8 8 ILE CB C 8 40.150 40.150 40.456 -0.306 18325
40 1 1 . 1 1 8 8 ILE H H 8 9.050 9.050 8.933 0.117 18325
41 1 1 . 1 1 9 9 TYR N N 9 128.517 128.517 127.645 0.872 18325
42 1 1 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.638 0.787 18325
43 1 1 . 1 1 9 9 TYR C C 9 176.445 176.445 175.025 1.420 18325
44 1 1 . 1 1 9 9 TYR CA C 9 57.397 57.397 58.502 -1.105 18325
45 1 1 . 1 1 9 9 TYR CB C 9 39.232 39.232 38.642 0.590 18325
46 1 1 . 1 1 9 9 TYR H H 9 9.094 9.094 9.024 0.070 18325
47 1 1 . 1 1 10 10 THR N N 10 112.214 112.214 113.757 -1.543 18325
48 1 1 . 1 1 10 10 THR HA H 10 4.778 4.778 4.670 0.108 18325
49 1 1 . 1 1 10 10 THR C C 10 173.410 173.410 172.773 0.637 18325
50 1 1 . 1 1 10 10 THR CA C 10 59.893 59.893 60.058 -0.165 18325
51 1 1 . 1 1 10 10 THR CB C 10 72.063 72.063 71.819 0.244 18325
52 1 1 . 1 1 10 10 THR H H 10 8.824 8.824 8.235 0.589 18325
53 1 1 . 1 1 11 11 THR N N 11 103.866 103.866 110.082 -6.216 18325
54 1 1 . 1 1 11 11 THR HA H 11 4.585 4.585 4.393 0.192 18325
55 1 1 . 1 1 11 11 THR C C 11 176.335 176.335 174.095 2.240 18325
56 1 1 . 1 1 11 11 THR CA C 11 60.389 60.389 59.987 0.402 18325
57 1 1 . 1 1 11 11 THR CB C 11 72.584 72.584 71.837 0.747 18325
58 1 1 . 1 1 11 11 THR H H 11 6.667 6.667 7.937 -1.270 18325
59 1 1 . 1 1 12 12 SER N N 12 116.991 116.991 114.701 2.290 18325
60 1 1 . 1 1 12 12 SER HA H 12 4.134 4.134 4.484 -0.350 18325
61 1 1 . 1 1 12 12 SER C C 12 174.863 174.863 175.512 -0.649 18325
62 1 1 . 1 1 12 12 SER CA C 12 61.183 61.183 59.527 1.656 18325
63 1 1 . 1 1 12 12 SER CB C 12 62.845 62.845 63.907 -1.062 18325
64 1 1 . 1 1 12 12 SER H H 12 9.561 9.561 9.240 0.321 18325
65 1 1 . 1 1 13 13 TRP N N 13 117.675 117.675 122.362 -4.687 18325
66 1 1 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.756 0.019 18325
67 1 1 . 1 1 13 13 TRP C C 13 175.144 175.144 175.459 -0.315 18325
68 1 1 . 1 1 13 13 TRP CA C 13 54.555 54.555 55.264 -0.709 18325
69 1 1 . 1 1 13 13 TRP CB C 13 28.292 28.292 26.841 1.451 18325
70 1 1 . 1 1 13 13 TRP H H 13 6.996 6.996 7.371 -0.375 18325
71 1 1 . 1 1 14 14 CYS N N 14 120.513 120.513 119.400 1.113 18325
72 1 1 . 1 1 14 14 CYS HA H 14 4.498 4.498 5.006 -0.508 18325
73 1 1 . 1 1 14 14 CYS CA C 14 53.859 53.859 57.294 -3.435 18325
74 1 1 . 1 1 14 14 CYS CB C 14 44.419 44.419 30.549 13.870 18325
75 1 1 . 1 1 14 14 CYS H H 14 6.755 6.755 7.948 -1.193 18325
76 1 1 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.385 -0.008 18325
77 1 1 . 1 1 16 16 TYR C C 16 177.495 177.495 177.475 0.020 18325
78 1 1 . 1 1 16 16 TYR CA C 16 60.662 60.662 59.038 1.624 18325
79 1 1 . 1 1 16 16 TYR CB C 16 37.852 37.852 36.454 1.398 18325
80 1 1 . 1 1 17 17 CYS N N 17 114.160 114.160 115.522 -1.362 18325
81 1 1 . 1 1 17 17 CYS HA H 17 3.923 3.923 3.947 -0.024 18325
82 1 1 . 1 1 17 17 CYS C C 17 174.680 174.680 176.858 -2.178 18325
83 1 1 . 1 1 17 17 CYS CA C 17 65.302 65.302 60.132 5.170 18325
84 1 1 . 1 1 17 17 CYS CB C 17 33.986 33.986 26.120 7.865 18325
85 1 1 . 1 1 17 17 CYS H H 17 8.495 8.495 8.043 0.452 18325
86 1 1 . 1 1 18 18 LEU N N 18 119.295 119.295 122.504 -3.209 18325
87 1 1 . 1 1 18 18 LEU HA H 18 4.031 4.031 4.066 -0.035 18325
88 1 1 . 1 1 18 18 LEU C C 18 179.001 179.001 178.456 0.545 18325
89 1 1 . 1 1 18 18 LEU CA C 18 58.234 58.234 57.680 0.554 18325
90 1 1 . 1 1 18 18 LEU CB C 18 41.205 41.205 41.683 -0.478 18325
91 1 1 . 1 1 18 18 LEU H H 18 7.311 7.311 7.710 -0.399 18325
92 1 1 . 1 1 19 19 ARG N N 19 119.771 119.771 118.986 0.785 18325
93 1 1 . 1 1 19 19 ARG HA H 19 3.998 3.998 3.977 0.021 18325
94 1 1 . 1 1 19 19 ARG C C 19 178.949 178.949 178.812 0.137 18325
95 1 1 . 1 1 19 19 ARG CA C 19 59.597 59.597 58.624 0.973 18325
96 1 1 . 1 1 19 19 ARG CB C 19 30.006 30.006 29.161 0.845 18325
97 1 1 . 1 1 19 19 ARG H H 19 7.469 7.469 7.492 -0.023 18325
98 1 1 . 1 1 20 20 LEU N N 20 120.802 120.802 120.957 -0.155 18325
99 1 1 . 1 1 20 20 LEU HA H 20 4.097 4.097 4.068 0.029 18325
100 1 1 . 1 1 20 20 LEU C C 20 177.928 177.928 178.046 -0.118 18325
101 1 1 . 1 1 20 20 LEU CA C 20 57.757 57.757 57.841 -0.084 18325
102 1 1 . 1 1 20 20 LEU CB C 20 40.940 40.940 41.786 -0.846 18325
103 1 1 . 1 1 20 20 LEU H H 20 8.150 8.150 7.579 0.571 18325
104 1 1 . 1 1 21 21 LYS N N 21 117.910 117.910 118.893 -0.983 18325
105 1 1 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.630 -0.350 18325
106 1 1 . 1 1 21 21 LYS C C 21 178.851 178.851 178.589 0.262 18325
107 1 1 . 1 1 21 21 LYS CA C 21 61.353 61.353 60.008 1.345 18325
108 1 1 . 1 1 21 21 LYS CB C 21 31.698 31.698 32.025 -0.327 18325
109 1 1 . 1 1 21 21 LYS H H 21 7.854 7.854 8.273 -0.419 18325
110 1 1 . 1 1 22 22 THR N N 22 115.451 115.451 116.078 -0.627 18325
111 1 1 . 1 1 22 22 THR HA H 22 3.889 3.889 4.088 -0.199 18325
112 1 1 . 1 1 22 22 THR C C 22 176.571 176.571 176.283 0.288 18325
113 1 1 . 1 1 22 22 THR CA C 22 66.849 66.849 66.794 0.055 18325
114 1 1 . 1 1 22 22 THR CB C 22 68.793 68.793 68.484 0.309 18325
115 1 1 . 1 1 22 22 THR H H 22 8.125 8.125 8.024 0.101 18325
116 1 1 . 1 1 23 23 ALA N N 23 125.218 125.218 124.744 0.474 18325
117 1 1 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.092 0.182 18325
118 1 1 . 1 1 23 23 ALA C C 23 180.948 180.948 179.848 1.100 18325
119 1 1 . 1 1 23 23 ALA CA C 23 55.003 55.003 55.218 -0.215 18325
120 1 1 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.128 0.714 18325
121 1 1 . 1 1 23 23 ALA H H 23 7.892 7.892 7.772 0.120 18325
122 1 1 . 1 1 24 24 LEU N N 24 120.007 120.007 117.326 2.681 18325
123 1 1 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.991 0.027 18325
124 1 1 . 1 1 24 24 LEU C C 24 179.738 179.738 179.226 0.512 18325
125 1 1 . 1 1 24 24 LEU CA C 24 58.807 58.807 57.770 1.037 18325
126 1 1 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.622 -1.808 18325
127 1 1 . 1 1 24 24 LEU H H 24 8.775 8.775 8.555 0.220 18325
128 1 1 . 1 1 25 25 THR N N 25 118.777 118.777 116.182 2.595 18325
129 1 1 . 1 1 25 25 THR HA H 25 4.175 4.175 4.186 -0.011 18325
130 1 1 . 1 1 25 25 THR C C 25 178.539 178.539 177.111 1.428 18325
131 1 1 . 1 1 25 25 THR CA C 25 67.138 67.138 66.651 0.487 18325
132 1 1 . 1 1 25 25 THR CB C 25 68.679 68.679 68.555 0.124 18325
133 1 1 . 1 1 25 25 THR H H 25 8.636 8.636 7.871 0.765 18325
134 1 1 . 1 1 26 26 ALA N N 26 126.122 126.122 123.307 2.815 18325
135 1 1 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.233 -0.045 18325
136 1 1 . 1 1 26 26 ALA C C 26 178.536 178.536 178.627 -0.091 18325
137 1 1 . 1 1 26 26 ALA CA C 26 55.134 55.134 54.181 0.953 18325
138 1 1 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.329 -0.442 18325
139 1 1 . 1 1 26 26 ALA H H 26 8.357 8.357 8.068 0.289 18325
140 1 1 . 1 1 27 27 ASN N N 27 114.755 114.755 115.737 -0.982 18325
141 1 1 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.751 -0.054 18325
142 1 1 . 1 1 27 27 ASN C C 27 172.751 172.751 174.841 -2.090 18325
143 1 1 . 1 1 27 27 ASN CA C 27 53.712 53.712 53.321 0.391 18325
144 1 1 . 1 1 27 27 ASN CB C 27 40.648 40.648 39.095 1.553 18325
145 1 1 . 1 1 27 27 ASN H H 27 7.456 7.456 7.774 -0.318 18325
146 1 1 . 1 1 28 28 ARG N N 28 115.444 115.444 114.991 0.453 18325
147 1 1 . 1 1 28 28 ARG HA H 28 3.934 3.934 3.944 -0.010 18325
148 1 1 . 1 1 28 28 ARG C C 28 175.075 175.075 174.780 0.295 18325
149 1 1 . 1 1 28 28 ARG CA C 28 57.091 57.091 57.203 -0.112 18325
150 1 1 . 1 1 28 28 ARG CB C 28 26.393 26.393 27.430 -1.037 18325
151 1 1 . 1 1 28 28 ARG H H 28 8.183 8.183 7.721 0.462 18325
152 1 1 . 1 1 29 29 ILE N N 29 120.976 120.976 120.091 0.885 18325
153 1 1 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.175 -0.096 18325
154 1 1 . 1 1 29 29 ILE C C 29 175.050 175.050 174.862 0.188 18325
155 1 1 . 1 1 29 29 ILE CA C 29 60.664 60.664 60.830 -0.166 18325
156 1 1 . 1 1 29 29 ILE CB C 29 38.695 38.695 38.619 0.076 18325
157 1 1 . 1 1 29 29 ILE H H 29 8.004 8.004 8.185 -0.181 18325
158 1 1 . 1 1 30 30 ALA N N 30 131.099 131.099 131.094 0.005 18325
159 1 1 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.475 -0.307 18325
160 1 1 . 1 1 30 30 ALA C C 30 176.360 176.360 175.556 0.804 18325
161 1 1 . 1 1 30 30 ALA CA C 30 51.819 51.819 51.281 0.538 18325
162 1 1 . 1 1 30 30 ALA CB C 30 19.641 19.641 19.866 -0.224 18325
163 1 1 . 1 1 30 30 ALA H H 30 8.329 8.329 8.582 -0.253 18325
164 1 1 . 1 1 31 31 TYR N N 31 114.363 114.363 119.454 -5.091 18325
165 1 1 . 1 1 31 31 TYR HA H 31 5.133 5.133 5.071 0.062 18325
166 1 1 . 1 1 31 31 TYR C C 31 173.470 173.470 173.563 -0.093 18325
167 1 1 . 1 1 31 31 TYR CA C 31 55.522 55.522 54.961 0.561 18325
168 1 1 . 1 1 31 31 TYR CB C 31 41.184 41.184 40.907 0.277 18325
169 1 1 . 1 1 31 31 TYR H H 31 7.509 7.509 7.746 -0.237 18325
170 1 1 . 1 1 32 32 ASP N N 32 120.754 120.754 121.925 -1.171 18325
171 1 1 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.917 0.009 18325
172 1 1 . 1 1 32 32 ASP C C 32 174.611 174.611 175.131 -0.520 18325
173 1 1 . 1 1 32 32 ASP CA C 32 52.875 52.875 52.289 0.586 18325
174 1 1 . 1 1 32 32 ASP CB C 32 42.843 42.843 43.404 -0.561 18325
175 1 1 . 1 1 32 32 ASP H H 32 8.517 8.517 9.022 -0.505 18325
176 1 1 . 1 1 33 33 GLU N N 33 124.650 124.650 123.599 1.051 18325
177 1 1 . 1 1 33 33 GLU HA H 33 5.205 5.205 5.255 -0.050 18325
178 1 1 . 1 1 33 33 GLU C C 33 175.049 175.049 175.797 -0.748 18325
179 1 1 . 1 1 33 33 GLU CA C 33 54.489 54.489 54.955 -0.466 18325
180 1 1 . 1 1 33 33 GLU CB C 33 32.425 32.425 31.180 1.244 18325
181 1 1 . 1 1 33 33 GLU H H 33 8.836 8.836 8.526 0.310 18325
182 1 1 . 1 1 34 34 VAL N N 34 128.112 128.112 121.962 6.150 18325
183 1 1 . 1 1 34 34 VAL HA H 34 4.062 4.062 4.057 0.005 18325
184 1 1 . 1 1 34 34 VAL C C 34 173.620 173.620 176.955 -3.335 18325
185 1 1 . 1 1 34 34 VAL CA C 34 61.427 61.427 61.240 0.187 18325
186 1 1 . 1 1 34 34 VAL CB C 34 34.690 34.690 32.820 1.870 18325
187 1 1 . 1 1 34 34 VAL H H 34 8.615 8.615 8.336 0.279 18325
188 1 1 . 1 1 35 35 ASP N N 35 127.319 127.319 123.800 3.519 18325
189 1 1 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.506 0.431 18325
190 1 1 . 1 1 35 35 ASP C C 35 179.260 179.260 178.047 1.213 18325
191 1 1 . 1 1 35 35 ASP CA C 35 61.428 61.428 56.045 5.383 18325
192 1 1 . 1 1 35 35 ASP CB C 35 41.858 41.858 40.826 1.032 18325
193 1 1 . 1 1 35 35 ASP H H 35 8.458 8.458 8.704 -0.246 18325
194 1 1 . 1 1 36 36 ILE N N 36 119.537 119.537 117.839 1.698 18325
195 1 1 . 1 1 36 36 ILE HA H 36 4.360 4.360 4.039 0.321 18325
196 1 1 . 1 1 36 36 ILE C C 36 176.943 176.943 177.160 -0.217 18325
197 1 1 . 1 1 36 36 ILE CA C 36 63.681 63.681 63.821 -0.140 18325
198 1 1 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.182 0.455 18325
199 1 1 . 1 1 36 36 ILE H H 36 8.833 8.833 7.828 1.005 18325
200 1 1 . 1 1 37 37 GLU N N 37 122.074 122.074 119.546 2.528 18325
201 1 1 . 1 1 37 37 GLU HA H 37 4.131 4.131 3.874 0.257 18325
202 1 1 . 1 1 37 37 GLU C C 37 177.224 177.224 178.002 -0.778 18325
203 1 1 . 1 1 37 37 GLU CA C 37 58.503 58.503 58.805 -0.302 18325
204 1 1 . 1 1 37 37 GLU CB C 37 29.312 29.312 29.480 -0.168 18325
205 1 1 . 1 1 37 37 GLU H H 37 8.815 8.815 8.216 0.599 18325
206 1 1 . 1 1 38 38 HIS N N 38 114.611 114.611 116.335 -1.724 18325
207 1 1 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.645 0.201 18325
208 1 1 . 1 1 38 38 HIS C C 38 174.168 174.168 174.928 -0.760 18325
209 1 1 . 1 1 38 38 HIS CA C 38 55.189 55.189 56.973 -1.784 18325
210 1 1 . 1 1 38 38 HIS CB C 38 30.936 30.936 31.541 -0.605 18325
211 1 1 . 1 1 38 38 HIS H H 38 7.661 7.661 8.054 -0.393 18325
212 1 1 . 1 1 39 39 ASN N N 39 117.944 117.944 118.733 -0.789 18325
213 1 1 . 1 1 39 39 ASN HA H 39 4.900 4.900 4.875 0.025 18325
214 1 1 . 1 1 39 39 ASN C C 39 173.626 173.626 176.107 -2.481 18325
215 1 1 . 1 1 39 39 ASN CA C 39 52.634 52.634 52.026 0.607 18325
216 1 1 . 1 1 39 39 ASN CB C 39 39.436 39.436 38.779 0.657 18325
217 1 1 . 1 1 39 39 ASN H H 39 7.095 7.095 8.298 -1.203 18325
218 1 1 . 1 1 40 40 ARG N N 40 126.603 126.603 128.173 -1.570 18325
219 1 1 . 1 1 40 40 ARG HA H 40 4.142 4.142 4.123 0.019 18325
220 1 1 . 1 1 40 40 ARG C C 40 178.292 178.292 177.308 0.984 18325
221 1 1 . 1 1 40 40 ARG CA C 40 59.371 59.371 59.395 -0.024 18325
222 1 1 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.735 0.184 18325
223 1 1 . 1 1 40 40 ARG H H 40 8.750 8.750 8.471 0.279 18325
224 1 1 . 1 1 41 41 ALA N N 41 122.148 122.148 120.731 1.417 18325
225 1 1 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.234 -0.032 18325
226 1 1 . 1 1 41 41 ALA C C 41 181.236 181.236 179.319 1.917 18325
227 1 1 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.463 0.613 18325
228 1 1 . 1 1 41 41 ALA CB C 41 17.795 17.795 17.920 -0.125 18325
229 1 1 . 1 1 41 41 ALA H H 41 8.460 8.460 8.549 -0.089 18325
230 1 1 . 1 1 42 42 ALA N N 42 122.394 122.394 118.872 3.522 18325
231 1 1 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.237 -0.013 18325
232 1 1 . 1 1 42 42 ALA C C 42 178.949 178.949 178.648 0.301 18325
233 1 1 . 1 1 42 42 ALA CA C 42 54.423 54.423 53.843 0.580 18325
234 1 1 . 1 1 42 42 ALA CB C 42 19.786 19.786 18.881 0.905 18325
235 1 1 . 1 1 42 42 ALA H H 42 7.973 7.973 7.695 0.278 18325
236 1 1 . 1 1 43 43 ALA N N 43 120.965 120.965 122.119 -1.154 18325
237 1 1 . 1 1 43 43 ALA HA H 43 3.788 3.788 4.208 -0.420 18325
238 1 1 . 1 1 43 43 ALA C C 43 179.994 179.994 179.903 0.091 18325
239 1 1 . 1 1 43 43 ALA CA C 43 56.189 56.189 55.082 1.107 18325
240 1 1 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.342 -0.309 18325
241 1 1 . 1 1 43 43 ALA H H 43 8.170 8.170 7.495 0.675 18325
242 1 1 . 1 1 44 44 GLU N N 44 117.052 117.052 117.913 -0.861 18325
243 1 1 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.121 -0.168 18325
244 1 1 . 1 1 44 44 GLU C C 44 179.698 179.698 178.840 0.858 18325
245 1 1 . 1 1 44 44 GLU CA C 44 58.934 58.934 58.474 0.460 18325
246 1 1 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.251 -0.125 18325
247 1 1 . 1 1 44 44 GLU H H 44 8.240 8.240 8.052 0.188 18325
248 1 1 . 1 1 45 45 PHE N N 45 122.282 122.282 120.520 1.762 18325
249 1 1 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.358 -0.126 18325
250 1 1 . 1 1 45 45 PHE C C 45 177.994 177.994 176.907 1.087 18325
251 1 1 . 1 1 45 45 PHE CA C 45 61.170 61.170 60.563 0.607 18325
252 1 1 . 1 1 45 45 PHE CB C 45 38.225 38.225 39.279 -1.054 18325
253 1 1 . 1 1 45 45 PHE H H 45 8.068 8.068 7.533 0.535 18325
254 1 1 . 1 1 46 46 VAL N N 46 120.442 120.442 118.262 2.180 18325
255 1 1 . 1 1 46 46 VAL HA H 46 2.908 2.908 3.276 -0.367 18325
256 1 1 . 1 1 46 46 VAL C C 46 178.852 178.852 178.095 0.757 18325
257 1 1 . 1 1 46 46 VAL CA C 46 67.186 67.186 66.153 1.033 18325
258 1 1 . 1 1 46 46 VAL CB C 46 31.143 31.143 30.682 0.461 18325
259 1 1 . 1 1 46 46 VAL H H 46 8.363 8.363 7.255 1.108 18325
260 1 1 . 1 1 47 47 GLY N N 47 105.864 105.864 106.804 -0.940 18325
261 1 1 . 1 1 47 47 GLY C C 47 176.759 176.759 176.228 0.531 18325
262 1 1 . 1 1 47 47 GLY CA C 47 46.690 46.690 47.408 -0.719 18325
263 1 1 . 1 1 47 47 GLY H H 47 8.187 8.187 7.742 0.445 18325
264 1 1 . 1 1 48 48 SER N N 48 118.796 118.796 117.712 1.084 18325
265 1 1 . 1 1 48 48 SER HA H 48 4.201 4.201 4.245 -0.044 18325
266 1 1 . 1 1 48 48 SER C C 48 176.571 176.571 176.901 -0.330 18325
267 1 1 . 1 1 48 48 SER CA C 48 61.440 61.440 61.571 -0.131 18325
268 1 1 . 1 1 48 48 SER CB C 48 62.661 62.661 62.827 -0.166 18325
269 1 1 . 1 1 48 48 SER H H 48 8.045 8.045 7.453 0.592 18325
270 1 1 . 1 1 49 49 VAL N N 49 114.967 114.967 116.964 -1.997 18325
271 1 1 . 1 1 49 49 VAL HA H 49 4.356 4.356 3.656 0.700 18325
272 1 1 . 1 1 49 49 VAL C C 49 175.807 175.807 176.512 -0.705 18325
273 1 1 . 1 1 49 49 VAL CA C 49 62.064 62.064 64.485 -2.421 18325
274 1 1 . 1 1 49 49 VAL CB C 49 31.110 31.110 30.809 0.301 18325
275 1 1 . 1 1 49 49 VAL H H 49 7.040 7.040 7.608 -0.568 18325
276 1 1 . 1 1 50 50 ASN N N 50 119.765 119.765 116.568 3.197 18325
277 1 1 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.639 0.495 18325
278 1 1 . 1 1 50 50 ASN C C 50 176.473 176.473 175.803 0.670 18325
279 1 1 . 1 1 50 50 ASN CA C 50 53.454 53.454 53.599 -0.145 18325
280 1 1 . 1 1 50 50 ASN CB C 50 40.815 40.815 39.965 0.850 18325
281 1 1 . 1 1 50 50 ASN H H 50 7.364 7.364 7.932 -0.568 18325
282 1 1 . 1 1 51 51 GLY N N 51 110.407 110.407 106.394 4.013 18325
283 1 1 . 1 1 51 51 GLY C C 51 174.967 174.967 174.941 0.026 18325
284 1 1 . 1 1 51 51 GLY CA C 51 47.543 47.543 44.891 2.652 18325
285 1 1 . 1 1 51 51 GLY H H 51 8.546 8.546 7.824 0.722 18325
286 1 1 . 1 1 52 52 GLY N N 52 106.482 106.482 107.697 -1.215 18325
287 1 1 . 1 1 52 52 GLY C C 52 174.134 174.134 174.163 -0.029 18325
288 1 1 . 1 1 52 52 GLY CA C 52 44.424 44.424 45.083 -0.659 18325
289 1 1 . 1 1 52 52 GLY H H 52 8.810 8.810 8.753 0.057 18325
290 1 1 . 1 1 53 53 ASN N N 53 119.129 119.129 118.871 0.258 18325
291 1 1 . 1 1 53 53 ASN HA H 53 4.738 4.738 5.005 -0.267 18325
292 1 1 . 1 1 53 53 ASN C C 53 174.828 174.828 173.572 1.256 18325
293 1 1 . 1 1 53 53 ASN CA C 53 52.654 52.654 51.799 0.855 18325
294 1 1 . 1 1 53 53 ASN CB C 53 40.237 40.237 40.592 -0.355 18325
295 1 1 . 1 1 53 53 ASN H H 53 7.330 7.330 8.179 -0.849 18325
296 1 1 . 1 1 54 54 ARG N N 54 125.094 125.094 121.111 3.983 18325
297 1 1 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.814 -0.680 18325
298 1 1 . 1 1 54 54 ARG C C 54 174.863 174.863 175.421 -0.558 18325
299 1 1 . 1 1 54 54 ARG CA C 54 55.132 55.132 55.212 -0.080 18325
300 1 1 . 1 1 54 54 ARG CB C 54 27.409 27.409 31.070 -3.661 18325
301 1 1 . 1 1 54 54 ARG H H 54 8.826 8.826 8.673 0.153 18325
302 1 1 . 1 1 55 55 THR N N 55 117.920 117.920 119.756 -1.836 18325
303 1 1 . 1 1 55 55 THR HA H 55 4.020 4.020 4.622 -0.602 18325
304 1 1 . 1 1 55 55 THR C C 55 172.459 172.459 175.628 -3.169 18325
305 1 1 . 1 1 55 55 THR CA C 55 63.451 63.451 62.310 1.141 18325
306 1 1 . 1 1 55 55 THR CB C 55 69.158 69.158 70.130 -0.972 18325
307 1 1 . 1 1 55 55 THR H H 55 6.994 6.994 9.174 -2.180 18325
308 1 1 . 1 1 56 56 VAL N N 56 117.300 117.300 126.608 -9.308 18325
309 1 1 . 1 1 56 56 VAL HA H 56 4.735 4.735 4.058 0.677 18325
310 1 1 . 1 1 56 56 VAL CA C 56 56.872 56.872 66.666 -9.794 18325
311 1 1 . 1 1 56 56 VAL CB C 56 34.378 34.378 29.003 5.375 18325
312 1 1 . 1 1 56 56 VAL H H 56 8.172 8.172 9.125 -0.953 18325
313 1 1 . 1 1 57 57 PRO HA H 57 5.350 5.350 4.887 0.463 18325
314 1 1 . 1 1 57 57 PRO C C 57 176.879 176.879 175.861 1.018 18325
315 1 1 . 1 1 57 57 PRO CA C 57 62.246 62.246 61.378 0.868 18325
316 1 1 . 1 1 57 57 PRO CB C 57 34.293 34.293 29.435 4.858 18325
317 1 1 . 1 1 58 58 THR N N 58 120.440 120.440 118.575 1.865 18325
318 1 1 . 1 1 58 58 THR HA H 58 5.042 5.042 4.804 0.238 18325
319 1 1 . 1 1 58 58 THR C C 58 172.321 172.321 173.347 -1.026 18325
320 1 1 . 1 1 58 58 THR CA C 58 63.449 63.449 63.408 0.041 18325
321 1 1 . 1 1 58 58 THR CB C 58 71.892 71.892 70.484 1.408 18325
322 1 1 . 1 1 58 58 THR H H 58 7.948 7.948 8.738 -0.790 18325
323 1 1 . 1 1 59 59 VAL N N 59 126.444 126.444 127.201 -0.757 18325
324 1 1 . 1 1 59 59 VAL HA H 59 5.095 5.095 5.008 0.087 18325
325 1 1 . 1 1 59 59 VAL C C 59 173.176 173.176 173.432 -0.256 18325
326 1 1 . 1 1 59 59 VAL CA C 59 60.133 60.133 59.625 0.508 18325
327 1 1 . 1 1 59 59 VAL CB C 59 34.117 34.117 34.529 -0.412 18325
328 1 1 . 1 1 59 59 VAL H H 59 9.428 9.428 8.768 0.660 18325
329 1 1 . 1 1 60 60 LYS N N 60 126.183 126.183 128.769 -2.586 18325
330 1 1 . 1 1 60 60 LYS HA H 60 5.379 5.379 5.508 -0.129 18325
331 1 1 . 1 1 60 60 LYS C C 60 175.404 175.404 175.588 -0.184 18325
332 1 1 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.522 0.089 18325
333 1 1 . 1 1 60 60 LYS CB C 60 37.601 37.601 35.722 1.879 18325
334 1 1 . 1 1 60 60 LYS H H 60 9.214 9.214 9.090 0.124 18325
335 1 1 . 1 1 61 61 PHE N N 61 126.709 126.709 123.398 3.311 18325
336 1 1 . 1 1 61 61 PHE HA H 61 4.736 4.736 5.167 -0.431 18325
337 1 1 . 1 1 61 61 PHE C C 61 178.102 178.102 177.742 0.360 18325
338 1 1 . 1 1 61 61 PHE CA C 61 58.048 58.048 57.201 0.847 18325
339 1 1 . 1 1 61 61 PHE CB C 61 41.221 41.221 40.525 0.696 18325
340 1 1 . 1 1 61 61 PHE H H 61 9.069 9.069 9.193 -0.124 18325
341 1 1 . 1 1 62 62 ALA N N 62 123.358 123.358 123.463 -0.105 18325
342 1 1 . 1 1 62 62 ALA HA H 62 4.134 4.134 4.125 0.009 18325
343 1 1 . 1 1 62 62 ALA C C 62 177.754 177.754 178.095 -0.341 18325
344 1 1 . 1 1 62 62 ALA CA C 62 54.940 54.940 54.437 0.503 18325
345 1 1 . 1 1 62 62 ALA CB C 62 19.243 19.243 18.485 0.758 18325
346 1 1 . 1 1 62 62 ALA H H 62 9.728 9.728 8.896 0.832 18325
347 1 1 . 1 1 63 63 ASP N N 63 113.412 113.412 117.610 -4.198 18325
348 1 1 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.560 0.026 18325
349 1 1 . 1 1 63 63 ASP C C 63 177.032 177.032 177.666 -0.634 18325
350 1 1 . 1 1 63 63 ASP CA C 63 53.141 53.141 54.038 -0.897 18325
351 1 1 . 1 1 63 63 ASP CB C 63 40.040 40.040 41.027 -0.987 18325
352 1 1 . 1 1 63 63 ASP H H 63 7.675 7.675 8.181 -0.506 18325
353 1 1 . 1 1 64 64 GLY N N 64 109.285 109.285 107.123 2.162 18325
354 1 1 . 1 1 64 64 GLY C C 64 173.680 173.680 174.527 -0.847 18325
355 1 1 . 1 1 64 64 GLY CA C 64 45.328 45.328 45.059 0.268 18325
356 1 1 . 1 1 64 64 GLY H H 64 8.361 8.361 8.071 0.290 18325
357 1 1 . 1 1 65 65 SER N N 65 117.733 117.733 117.052 0.681 18325
358 1 1 . 1 1 65 65 SER HA H 65 4.567 4.567 4.615 -0.048 18325
359 1 1 . 1 1 65 65 SER C C 65 173.595 173.595 173.474 0.121 18325
360 1 1 . 1 1 65 65 SER CA C 65 58.964 58.964 58.157 0.807 18325
361 1 1 . 1 1 65 65 SER CB C 65 64.637 64.637 64.123 0.514 18325
362 1 1 . 1 1 65 65 SER H H 65 8.287 8.287 7.893 0.394 18325
363 1 1 . 1 1 66 66 THR N N 66 106.725 106.725 117.254 -10.529 18325
364 1 1 . 1 1 66 66 THR HA H 66 6.250 6.250 5.577 0.673 18325
365 1 1 . 1 1 66 66 THR C C 66 175.730 175.730 174.303 1.427 18325
366 1 1 . 1 1 66 66 THR CA C 66 59.494 59.494 60.636 -1.141 18325
367 1 1 . 1 1 66 66 THR CB C 66 73.049 73.049 70.893 2.156 18325
368 1 1 . 1 1 66 66 THR H H 66 8.221 8.221 8.153 0.068 18325
369 1 1 . 1 1 67 67 LEU N N 67 117.517 117.517 126.389 -8.872 18325
370 1 1 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.758 0.110 18325
371 1 1 . 1 1 67 67 LEU C C 67 176.030 176.030 176.092 -0.062 18325
372 1 1 . 1 1 67 67 LEU CA C 67 54.768 54.768 53.929 0.839 18325
373 1 1 . 1 1 67 67 LEU CB C 67 47.406 47.406 43.824 3.582 18325
374 1 1 . 1 1 67 67 LEU H H 67 8.763 8.763 9.365 -0.602 18325
375 1 1 . 1 1 68 68 THR N N 68 120.988 120.988 121.787 -0.799 18325
376 1 1 . 1 1 68 68 THR HA H 68 4.616 4.616 4.361 0.255 18325
377 1 1 . 1 1 68 68 THR C C 68 173.201 173.201 174.016 -0.815 18325
378 1 1 . 1 1 68 68 THR CA C 68 62.802 62.802 62.752 0.050 18325
379 1 1 . 1 1 68 68 THR CB C 68 69.226 69.226 69.013 0.213 18325
380 1 1 . 1 1 68 68 THR H H 68 9.226 9.226 8.741 0.485 18325
381 1 1 . 1 1 69 69 ASN N N 69 122.679 122.679 122.159 0.520 18325
382 1 1 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.464 -0.174 18325
383 1 1 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.474 0.992 18325
384 1 1 . 1 1 69 69 ASN CB C 69 38.731 38.731 37.401 1.330 18325
385 1 1 . 1 1 69 69 ASN H H 69 9.097 9.097 8.313 0.784 18325
386 1 1 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.807 0.062 18325
387 1 1 . 1 1 70 70 PRO C C 70 177.239 177.239 176.482 0.757 18325
388 1 1 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.512 0.545 18325
389 1 1 . 1 1 70 70 PRO CB C 70 32.153 32.153 33.037 -0.884 18325
390 1 1 . 1 1 71 71 SER N N 71 115.373 115.373 115.282 0.091 18325
391 1 1 . 1 1 71 71 SER HA H 71 4.620 4.620 4.689 -0.069 18325
392 1 1 . 1 1 71 71 SER C C 71 175.966 175.966 175.524 0.442 18325
393 1 1 . 1 1 71 71 SER CA C 71 56.624 56.624 57.293 -0.669 18325
394 1 1 . 1 1 71 71 SER CB C 71 65.562 65.562 64.178 1.384 18325
395 1 1 . 1 1 71 71 SER H H 71 8.932 8.932 8.972 -0.040 18325
396 1 1 . 1 1 72 72 ALA N N 72 124.008 124.008 126.224 -2.216 18325
397 1 1 . 1 1 72 72 ALA HA H 72 3.763 3.763 4.105 -0.342 18325
398 1 1 . 1 1 72 72 ALA C C 72 179.550 179.550 179.387 0.163 18325
399 1 1 . 1 1 72 72 ALA CA C 72 55.970 55.970 55.148 0.822 18325
400 1 1 . 1 1 72 72 ALA CB C 72 17.873 17.873 18.383 -0.510 18325
401 1 1 . 1 1 72 72 ALA H H 72 9.235 9.235 8.745 0.490 18325
402 1 1 . 1 1 73 73 ASP N N 73 116.584 116.584 118.118 -1.534 18325
403 1 1 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.303 0.027 18325
404 1 1 . 1 1 73 73 ASP C C 73 179.219 179.219 178.365 0.854 18325
405 1 1 . 1 1 73 73 ASP CA C 73 57.583 57.583 57.699 -0.116 18325
406 1 1 . 1 1 73 73 ASP CB C 73 40.300 40.300 40.418 -0.118 18325
407 1 1 . 1 1 73 73 ASP H H 73 8.277 8.277 8.817 -0.540 18325
408 1 1 . 1 1 74 74 GLU N N 74 122.057 122.057 119.544 2.513 18325
409 1 1 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.038 -0.023 18325
410 1 1 . 1 1 74 74 GLU C C 74 180.045 180.045 179.127 0.918 18325
411 1 1 . 1 1 74 74 GLU CA C 74 59.199 59.199 59.261 -0.062 18325
412 1 1 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.619 0.455 18325
413 1 1 . 1 1 74 74 GLU H H 74 7.925 7.925 8.402 -0.477 18325
414 1 1 . 1 1 75 75 VAL N N 75 120.141 120.141 119.658 0.483 18325
415 1 1 . 1 1 75 75 VAL HA H 75 3.681 3.681 3.979 -0.298 18325
416 1 1 . 1 1 75 75 VAL C C 75 177.008 177.008 178.138 -1.130 18325
417 1 1 . 1 1 75 75 VAL CA C 75 67.172 67.172 66.649 0.523 18325
418 1 1 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.081 0.156 18325
419 1 1 . 1 1 75 75 VAL H H 75 7.885 7.885 7.930 -0.045 18325
420 1 1 . 1 1 76 76 LYS N N 76 118.715 118.715 120.347 -1.632 18325
421 1 1 . 1 1 76 76 LYS HA H 76 3.827 3.827 4.047 -0.220 18325
422 1 1 . 1 1 76 76 LYS C C 76 178.105 178.105 178.657 -0.552 18325
423 1 1 . 1 1 76 76 LYS CA C 76 60.397 60.397 59.873 0.524 18325
424 1 1 . 1 1 76 76 LYS CB C 76 32.405 32.405 32.385 0.020 18325
425 1 1 . 1 1 76 76 LYS H H 76 8.298 8.298 8.408 -0.110 18325
426 1 1 . 1 1 77 77 ALA N N 77 118.993 118.993 121.307 -2.314 18325
427 1 1 . 1 1 77 77 ALA HA H 77 4.031 4.031 4.181 -0.150 18325
428 1 1 . 1 1 77 77 ALA C C 77 180.450 180.450 180.075 0.375 18325
429 1 1 . 1 1 77 77 ALA CA C 77 54.820 54.820 55.024 -0.204 18325
430 1 1 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.365 -0.165 18325
431 1 1 . 1 1 77 77 ALA H H 77 7.985 7.985 8.038 -0.053 18325
432 1 1 . 1 1 78 78 LYS N N 78 119.952 119.952 118.999 0.953 18325
433 1 1 . 1 1 78 78 LYS HA H 78 3.975 3.975 4.144 -0.169 18325
434 1 1 . 1 1 78 78 LYS C C 78 177.949 177.949 178.715 -0.766 18325
435 1 1 . 1 1 78 78 LYS CA C 78 58.079 58.079 58.023 0.056 18325
436 1 1 . 1 1 78 78 LYS CB C 78 31.342 31.342 32.191 -0.849 18325
437 1 1 . 1 1 78 78 LYS H H 78 7.480 7.480 8.207 -0.727 18325
438 1 1 . 1 1 79 79 LEU N N 79 118.729 118.729 121.981 -3.252 18325
439 1 1 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.280 -0.244 18325
440 1 1 . 1 1 79 79 LEU C C 79 180.234 180.234 178.632 1.602 18325
441 1 1 . 1 1 79 79 LEU CA C 79 58.096 58.096 58.442 -0.346 18325
442 1 1 . 1 1 79 79 LEU CB C 79 41.776 41.776 41.941 -0.165 18325
443 1 1 . 1 1 79 79 LEU H H 79 8.075 8.075 8.509 -0.434 18325
444 1 1 . 1 1 80 80 VAL N N 80 118.567 118.567 114.925 3.642 18325
445 1 1 . 1 1 80 80 VAL HA H 80 3.733 3.733 4.105 -0.372 18325
446 1 1 . 1 1 80 80 VAL C C 80 178.390 178.390 178.693 -0.303 18325
447 1 1 . 1 1 80 80 VAL CA C 80 65.895 65.895 65.693 0.202 18325
448 1 1 . 1 1 80 80 VAL CB C 80 31.961 31.961 30.887 1.074 18325
449 1 1 . 1 1 80 80 VAL H H 80 7.867 7.867 8.099 -0.232 18325
450 1 1 . 1 1 81 81 LYS N N 81 121.106 121.106 119.076 2.030 18325
451 1 1 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.382 -0.290 18325
452 1 1 . 1 1 81 81 LYS C C 81 179.434 179.434 178.061 1.373 18325
453 1 1 . 1 1 81 81 LYS CA C 81 58.943 58.943 58.798 0.145 18325
454 1 1 . 1 1 81 81 LYS CB C 81 32.497 32.497 32.757 -0.260 18325
455 1 1 . 1 1 81 81 LYS H H 81 7.565 7.565 7.370 0.195 18325
456 1 1 . 1 1 82 82 ILE N N 82 117.365 117.365 115.571 1.794 18325
457 1 1 . 1 1 82 82 ILE HA H 82 3.953 3.953 4.105 -0.152 18325
458 1 1 . 1 1 82 82 ILE C C 82 177.482 177.482 177.417 0.065 18325
459 1 1 . 1 1 82 82 ILE CA C 82 63.598 63.598 62.660 0.938 18325
460 1 1 . 1 1 82 82 ILE CB C 82 38.372 38.372 38.034 0.338 18325
461 1 1 . 1 1 82 82 ILE H H 82 8.124 8.124 8.095 0.029 18325
462 1 1 . 1 1 83 83 ALA N N 83 123.334 123.334 121.666 1.668 18325
463 1 1 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.581 -0.302 18325
464 1 1 . 1 1 83 83 ALA C C 83 179.104 179.104 178.388 0.716 18325
465 1 1 . 1 1 83 83 ALA CA C 83 53.851 53.851 52.563 1.288 18325
466 1 1 . 1 1 83 83 ALA CB C 83 18.769 18.769 19.833 -1.064 18325
467 1 1 . 1 1 83 83 ALA H H 83 7.867 7.867 8.594 -0.727 18325
468 1 1 . 1 1 84 84 GLY N N 84 105.962 105.962 106.461 -0.499 18325
469 1 1 . 1 1 84 84 GLY C C 84 174.779 174.779 173.637 1.142 18325
470 1 1 . 1 1 84 84 GLY CA C 84 45.847 45.847 45.553 0.294 18325
471 1 1 . 1 1 84 84 GLY H H 84 8.019 8.019 7.965 0.054 18325
472 1 1 . 1 1 85 85 LEU N N 85 120.702 120.702 119.611 1.091 18325
473 1 1 . 1 1 85 85 LEU HA H 85 4.275 4.275 4.744 -0.469 18325
474 1 1 . 1 1 85 85 LEU C C 85 177.609 177.609 175.543 2.066 18325
475 1 1 . 1 1 85 85 LEU CA C 85 55.511 55.511 54.373 1.139 18325
476 1 1 . 1 1 85 85 LEU CB C 85 42.449 42.449 44.048 -1.599 18325
477 1 1 . 1 1 85 85 LEU H H 85 7.727 7.727 7.438 0.289 18325
478 1 1 . 1 1 86 86 GLU N N 86 120.386 120.386 119.851 0.535 18325
479 1 1 . 1 1 86 86 GLU HA H 86 4.154 4.154 3.966 0.188 18325
480 1 1 . 1 1 86 86 GLU C C 86 176.359 176.359 175.097 1.262 18325
481 1 1 . 1 1 86 86 GLU CA C 86 56.941 56.941 58.434 -1.493 18325
482 1 1 . 1 1 86 86 GLU CB C 86 30.180 30.180 28.532 1.648 18325
483 1 1 . 1 1 86 86 GLU H H 86 8.238 8.238 8.987 -0.749 18325
484 1 1 . 1 1 87 87 HIS N N 87 119.393 119.393 116.010 3.383 18325
485 1 1 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.526 0.064 18325
486 1 1 . 1 1 87 87 HIS C C 87 174.000 174.000 174.640 -0.640 18325
487 1 1 . 1 1 87 87 HIS CA C 87 56.146 56.146 57.720 -1.574 18325
488 1 1 . 1 1 87 87 HIS CB C 87 30.335 30.335 30.873 -0.538 18325
489 1 1 . 1 1 87 87 HIS H H 87 8.177 8.177 8.204 -0.027 18325
490 1 2 . 1 1 2 2 VAL HA H 2 4.195 4.195 4.145 0.050 18325
491 1 2 . 1 1 2 2 VAL C C 2 175.805 175.805 175.463 0.342 18325
492 1 2 . 1 1 2 2 VAL CA C 2 62.388 62.388 63.860 -1.472 18325
493 1 2 . 1 1 2 2 VAL CB C 2 32.777 32.777 31.558 1.219 18325
494 1 2 . 1 1 3 3 THR N N 3 119.229 119.229 114.412 4.817 18325
495 1 2 . 1 1 3 3 THR HA H 3 4.259 4.259 4.116 0.143 18325
496 1 2 . 1 1 3 3 THR C C 3 173.761 173.761 173.755 0.006 18325
497 1 2 . 1 1 3 3 THR CA C 3 61.673 61.673 62.144 -0.471 18325
498 1 2 . 1 1 3 3 THR CB C 3 69.846 69.846 68.192 1.654 18325
499 1 2 . 1 1 3 3 THR H H 3 8.256 8.256 7.877 0.379 18325
500 1 2 . 1 1 4 4 ALA N N 4 126.635 126.635 122.831 3.804 18325
501 1 2 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.366 -0.212 18325
502 1 2 . 1 1 4 4 ALA C C 4 177.002 177.002 177.061 -0.059 18325
503 1 2 . 1 1 4 4 ALA CA C 4 52.159 52.159 51.740 0.419 18325
504 1 2 . 1 1 4 4 ALA CB C 4 19.512 19.512 18.429 1.083 18325
505 1 2 . 1 1 4 4 ALA H H 4 8.367 8.367 7.964 0.403 18325
506 1 2 . 1 1 5 5 ALA N N 5 123.621 123.621 126.222 -2.601 18325
507 1 2 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.376 -0.109 18325
508 1 2 . 1 1 5 5 ALA C C 5 176.288 176.288 175.934 0.354 18325
509 1 2 . 1 1 5 5 ALA CA C 5 52.894 52.894 52.135 0.759 18325
510 1 2 . 1 1 5 5 ALA CB C 5 19.494 19.494 19.959 -0.465 18325
511 1 2 . 1 1 5 5 ALA H H 5 8.374 8.374 8.142 0.232 18325
512 1 2 . 1 1 6 6 LEU N N 6 115.731 115.731 118.465 -2.734 18325
513 1 2 . 1 1 6 6 LEU HA H 6 4.648 4.648 4.849 -0.201 18325
514 1 2 . 1 1 6 6 LEU C C 6 175.007 175.007 174.536 0.471 18325
515 1 2 . 1 1 6 6 LEU CA C 6 54.263 54.263 54.186 0.077 18325
516 1 2 . 1 1 6 6 LEU CB C 6 44.224 44.224 46.059 -1.835 18325
517 1 2 . 1 1 6 6 LEU H H 6 7.478 7.478 7.339 0.139 18325
518 1 2 . 1 1 7 7 THR N N 7 119.383 119.383 122.891 -3.508 18325
519 1 2 . 1 1 7 7 THR HA H 7 4.906 4.906 5.119 -0.213 18325
520 1 2 . 1 1 7 7 THR C C 7 172.657 172.657 173.268 -0.611 18325
521 1 2 . 1 1 7 7 THR CA C 7 61.586 61.586 61.958 -0.372 18325
522 1 2 . 1 1 7 7 THR CB C 7 70.917 70.917 70.093 0.825 18325
523 1 2 . 1 1 7 7 THR H H 7 8.342 8.342 9.058 -0.716 18325
524 1 2 . 1 1 8 8 ILE N N 8 124.711 124.711 126.115 -1.404 18325
525 1 2 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.502 0.073 18325
526 1 2 . 1 1 8 8 ILE C C 8 172.650 172.650 174.343 -1.693 18325
527 1 2 . 1 1 8 8 ILE CA C 8 59.206 59.206 59.945 -0.739 18325
528 1 2 . 1 1 8 8 ILE CB C 8 40.150 40.150 40.764 -0.614 18325
529 1 2 . 1 1 8 8 ILE H H 8 9.050 9.050 9.116 -0.066 18325
530 1 2 . 1 1 9 9 TYR N N 9 128.517 128.517 127.492 1.025 18325
531 1 2 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.673 0.752 18325
532 1 2 . 1 1 9 9 TYR C C 9 176.445 176.445 175.176 1.269 18325
533 1 2 . 1 1 9 9 TYR CA C 9 57.397 57.397 58.490 -1.093 18325
534 1 2 . 1 1 9 9 TYR CB C 9 39.232 39.232 38.841 0.391 18325
535 1 2 . 1 1 9 9 TYR H H 9 9.094 9.094 8.903 0.191 18325
536 1 2 . 1 1 10 10 THR N N 10 112.214 112.214 113.547 -1.333 18325
537 1 2 . 1 1 10 10 THR HA H 10 4.778 4.778 4.666 0.112 18325
538 1 2 . 1 1 10 10 THR C C 10 173.410 173.410 173.152 0.258 18325
539 1 2 . 1 1 10 10 THR CA C 10 59.893 59.893 60.158 -0.265 18325
540 1 2 . 1 1 10 10 THR CB C 10 72.063 72.063 71.884 0.179 18325
541 1 2 . 1 1 10 10 THR H H 10 8.824 8.824 8.092 0.732 18325
542 1 2 . 1 1 11 11 THR N N 11 103.866 103.866 115.379 -11.513 18325
543 1 2 . 1 1 11 11 THR HA H 11 4.585 4.585 4.588 -0.003 18325
544 1 2 . 1 1 11 11 THR C C 11 176.335 176.335 174.097 2.238 18325
545 1 2 . 1 1 11 11 THR CA C 11 60.389 60.389 60.747 -0.358 18325
546 1 2 . 1 1 11 11 THR CB C 11 72.584 72.584 71.596 0.988 18325
547 1 2 . 1 1 11 11 THR H H 11 6.667 6.667 8.254 -1.587 18325
548 1 2 . 1 1 12 12 SER N N 12 116.991 116.991 120.447 -3.456 18325
549 1 2 . 1 1 12 12 SER HA H 12 4.134 4.134 4.209 -0.075 18325
550 1 2 . 1 1 12 12 SER C C 12 174.863 174.863 174.898 -0.035 18325
551 1 2 . 1 1 12 12 SER CA C 12 61.183 61.183 62.288 -1.105 18325
552 1 2 . 1 1 12 12 SER CB C 12 62.845 62.845 63.429 -0.584 18325
553 1 2 . 1 1 12 12 SER H H 12 9.561 9.561 9.497 0.064 18325
554 1 2 . 1 1 13 13 TRP N N 13 117.675 117.675 119.164 -1.489 18325
555 1 2 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.832 -0.057 18325
556 1 2 . 1 1 13 13 TRP C C 13 175.144 175.144 175.214 -0.070 18325
557 1 2 . 1 1 13 13 TRP CA C 13 54.555 54.555 55.589 -1.034 18325
558 1 2 . 1 1 13 13 TRP CB C 13 28.292 28.292 28.691 -0.399 18325
559 1 2 . 1 1 13 13 TRP H H 13 6.996 6.996 7.342 -0.346 18325
560 1 2 . 1 1 14 14 CYS N N 14 120.513 120.513 124.052 -3.539 18325
561 1 2 . 1 1 14 14 CYS HA H 14 4.498 4.498 4.639 -0.141 18325
562 1 2 . 1 1 14 14 CYS CA C 14 53.859 53.859 58.174 -4.315 18325
563 1 2 . 1 1 14 14 CYS CB C 14 44.419 44.419 29.352 15.067 18325
564 1 2 . 1 1 14 14 CYS H H 14 6.755 6.755 8.085 -1.330 18325
565 1 2 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.303 0.074 18325
566 1 2 . 1 1 16 16 TYR C C 16 177.495 177.495 177.109 0.386 18325
567 1 2 . 1 1 16 16 TYR CA C 16 60.662 60.662 59.795 0.867 18325
568 1 2 . 1 1 16 16 TYR CB C 16 37.852 37.852 38.790 -0.938 18325
569 1 2 . 1 1 17 17 CYS N N 17 114.160 114.160 116.593 -2.433 18325
570 1 2 . 1 1 17 17 CYS HA H 17 3.923 3.923 3.993 -0.070 18325
571 1 2 . 1 1 17 17 CYS C C 17 174.680 174.680 176.646 -1.966 18325
572 1 2 . 1 1 17 17 CYS CA C 17 65.302 65.302 60.438 4.864 18325
573 1 2 . 1 1 17 17 CYS CB C 17 33.986 33.986 26.112 7.874 18325
574 1 2 . 1 1 17 17 CYS H H 17 8.495 8.495 7.930 0.565 18325
575 1 2 . 1 1 18 18 LEU N N 18 119.295 119.295 122.471 -3.176 18325
576 1 2 . 1 1 18 18 LEU HA H 18 4.031 4.031 3.909 0.122 18325
577 1 2 . 1 1 18 18 LEU C C 18 179.001 179.001 179.066 -0.065 18325
578 1 2 . 1 1 18 18 LEU CA C 18 58.234 58.234 57.759 0.475 18325
579 1 2 . 1 1 18 18 LEU CB C 18 41.205 41.205 41.112 0.093 18325
580 1 2 . 1 1 18 18 LEU H H 18 7.311 7.311 7.545 -0.234 18325
581 1 2 . 1 1 19 19 ARG N N 19 119.771 119.771 119.450 0.321 18325
582 1 2 . 1 1 19 19 ARG HA H 19 3.998 3.998 4.001 -0.003 18325
583 1 2 . 1 1 19 19 ARG C C 19 178.949 178.949 178.417 0.532 18325
584 1 2 . 1 1 19 19 ARG CA C 19 59.597 59.597 58.561 1.036 18325
585 1 2 . 1 1 19 19 ARG CB C 19 30.006 30.006 29.285 0.721 18325
586 1 2 . 1 1 19 19 ARG H H 19 7.469 7.469 7.592 -0.123 18325
587 1 2 . 1 1 20 20 LEU N N 20 120.802 120.802 119.547 1.255 18325
588 1 2 . 1 1 20 20 LEU HA H 20 4.097 4.097 4.068 0.029 18325
589 1 2 . 1 1 20 20 LEU C C 20 177.928 177.928 178.050 -0.122 18325
590 1 2 . 1 1 20 20 LEU CA C 20 57.757 57.757 57.531 0.226 18325
591 1 2 . 1 1 20 20 LEU CB C 20 40.940 40.940 41.749 -0.810 18325
592 1 2 . 1 1 20 20 LEU H H 20 8.150 8.150 7.333 0.817 18325
593 1 2 . 1 1 21 21 LYS N N 21 117.910 117.910 119.443 -1.533 18325
594 1 2 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.666 -0.386 18325
595 1 2 . 1 1 21 21 LYS C C 21 178.851 178.851 178.881 -0.030 18325
596 1 2 . 1 1 21 21 LYS CA C 21 61.353 61.353 59.974 1.379 18325
597 1 2 . 1 1 21 21 LYS CB C 21 31.698 31.698 32.216 -0.518 18325
598 1 2 . 1 1 21 21 LYS H H 21 7.854 7.854 8.438 -0.584 18325
599 1 2 . 1 1 22 22 THR N N 22 115.451 115.451 114.014 1.437 18325
600 1 2 . 1 1 22 22 THR HA H 22 3.889 3.889 4.144 -0.255 18325
601 1 2 . 1 1 22 22 THR C C 22 176.571 176.571 175.785 0.786 18325
602 1 2 . 1 1 22 22 THR CA C 22 66.849 66.849 65.726 1.123 18325
603 1 2 . 1 1 22 22 THR CB C 22 68.793 68.793 68.585 0.208 18325
604 1 2 . 1 1 22 22 THR H H 22 8.125 8.125 8.210 -0.085 18325
605 1 2 . 1 1 23 23 ALA N N 23 125.218 125.218 124.669 0.549 18325
606 1 2 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.127 0.147 18325
607 1 2 . 1 1 23 23 ALA C C 23 180.948 180.948 179.641 1.307 18325
608 1 2 . 1 1 23 23 ALA CA C 23 55.003 55.003 55.152 -0.149 18325
609 1 2 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.078 0.764 18325
610 1 2 . 1 1 23 23 ALA H H 23 7.892 7.892 7.446 0.446 18325
611 1 2 . 1 1 24 24 LEU N N 24 120.007 120.007 118.120 1.887 18325
612 1 2 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.970 0.048 18325
613 1 2 . 1 1 24 24 LEU C C 24 179.738 179.738 179.214 0.524 18325
614 1 2 . 1 1 24 24 LEU CA C 24 58.807 58.807 57.837 0.970 18325
615 1 2 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.615 -1.801 18325
616 1 2 . 1 1 24 24 LEU H H 24 8.775 8.775 8.319 0.456 18325
617 1 2 . 1 1 25 25 THR N N 25 118.777 118.777 115.839 2.938 18325
618 1 2 . 1 1 25 25 THR HA H 25 4.175 4.175 4.087 0.088 18325
619 1 2 . 1 1 25 25 THR C C 25 178.539 178.539 176.506 2.033 18325
620 1 2 . 1 1 25 25 THR CA C 25 67.138 67.138 66.630 0.508 18325
621 1 2 . 1 1 25 25 THR CB C 25 68.679 68.679 68.899 -0.220 18325
622 1 2 . 1 1 25 25 THR H H 25 8.636 8.636 7.959 0.677 18325
623 1 2 . 1 1 26 26 ALA N N 26 126.122 126.122 122.708 3.414 18325
624 1 2 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.107 0.081 18325
625 1 2 . 1 1 26 26 ALA C C 26 178.536 178.536 178.700 -0.164 18325
626 1 2 . 1 1 26 26 ALA CA C 26 55.134 55.134 54.544 0.590 18325
627 1 2 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.369 -0.482 18325
628 1 2 . 1 1 26 26 ALA H H 26 8.357 8.357 8.189 0.168 18325
629 1 2 . 1 1 27 27 ASN N N 27 114.755 114.755 114.168 0.587 18325
630 1 2 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.588 0.109 18325
631 1 2 . 1 1 27 27 ASN C C 27 172.751 172.751 174.802 -2.051 18325
632 1 2 . 1 1 27 27 ASN CA C 27 53.712 53.712 53.473 0.239 18325
633 1 2 . 1 1 27 27 ASN CB C 27 40.648 40.648 38.971 1.677 18325
634 1 2 . 1 1 27 27 ASN H H 27 7.456 7.456 7.927 -0.471 18325
635 1 2 . 1 1 28 28 ARG N N 28 115.444 115.444 114.563 0.881 18325
636 1 2 . 1 1 28 28 ARG HA H 28 3.934 3.934 4.011 -0.077 18325
637 1 2 . 1 1 28 28 ARG C C 28 175.075 175.075 175.084 -0.009 18325
638 1 2 . 1 1 28 28 ARG CA C 28 57.091 57.091 56.515 0.576 18325
639 1 2 . 1 1 28 28 ARG CB C 28 26.393 26.393 26.839 -0.446 18325
640 1 2 . 1 1 28 28 ARG H H 28 8.183 8.183 7.822 0.361 18325
641 1 2 . 1 1 29 29 ILE N N 29 120.976 120.976 120.417 0.559 18325
642 1 2 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.118 -0.039 18325
643 1 2 . 1 1 29 29 ILE C C 29 175.050 175.050 175.181 -0.131 18325
644 1 2 . 1 1 29 29 ILE CA C 29 60.664 60.664 61.102 -0.438 18325
645 1 2 . 1 1 29 29 ILE CB C 29 38.695 38.695 38.145 0.550 18325
646 1 2 . 1 1 29 29 ILE H H 29 8.004 8.004 8.441 -0.437 18325
647 1 2 . 1 1 30 30 ALA N N 30 131.099 131.099 131.709 -0.610 18325
648 1 2 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.393 -0.225 18325
649 1 2 . 1 1 30 30 ALA C C 30 176.360 176.360 175.611 0.749 18325
650 1 2 . 1 1 30 30 ALA CA C 30 51.819 51.819 51.628 0.191 18325
651 1 2 . 1 1 30 30 ALA CB C 30 19.641 19.641 19.393 0.248 18325
652 1 2 . 1 1 30 30 ALA H H 30 8.329 8.329 8.557 -0.228 18325
653 1 2 . 1 1 31 31 TYR N N 31 114.363 114.363 120.335 -5.972 18325
654 1 2 . 1 1 31 31 TYR HA H 31 5.133 5.133 5.501 -0.368 18325
655 1 2 . 1 1 31 31 TYR C C 31 173.470 173.470 174.022 -0.552 18325
656 1 2 . 1 1 31 31 TYR CA C 31 55.522 55.522 54.738 0.784 18325
657 1 2 . 1 1 31 31 TYR CB C 31 41.184 41.184 41.276 -0.092 18325
658 1 2 . 1 1 31 31 TYR H H 31 7.509 7.509 7.627 -0.118 18325
659 1 2 . 1 1 32 32 ASP N N 32 120.754 120.754 120.038 0.716 18325
660 1 2 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.863 0.063 18325
661 1 2 . 1 1 32 32 ASP C C 32 174.611 174.611 175.073 -0.462 18325
662 1 2 . 1 1 32 32 ASP CA C 32 52.875 52.875 52.959 -0.084 18325
663 1 2 . 1 1 32 32 ASP CB C 32 42.843 42.843 43.642 -0.800 18325
664 1 2 . 1 1 32 32 ASP H H 32 8.517 8.517 8.884 -0.367 18325
665 1 2 . 1 1 33 33 GLU N N 33 124.650 124.650 120.354 4.296 18325
666 1 2 . 1 1 33 33 GLU HA H 33 5.205 5.205 5.386 -0.181 18325
667 1 2 . 1 1 33 33 GLU C C 33 175.049 175.049 176.079 -1.030 18325
668 1 2 . 1 1 33 33 GLU CA C 33 54.489 54.489 54.440 0.049 18325
669 1 2 . 1 1 33 33 GLU CB C 33 32.425 32.425 31.418 1.007 18325
670 1 2 . 1 1 33 33 GLU H H 33 8.836 8.836 8.530 0.306 18325
671 1 2 . 1 1 34 34 VAL N N 34 128.112 128.112 123.672 4.440 18325
672 1 2 . 1 1 34 34 VAL HA H 34 4.062 4.062 4.105 -0.043 18325
673 1 2 . 1 1 34 34 VAL C C 34 173.620 173.620 176.077 -2.457 18325
674 1 2 . 1 1 34 34 VAL CA C 34 61.427 61.427 61.427 -0.000 18325
675 1 2 . 1 1 34 34 VAL CB C 34 34.690 34.690 32.836 1.854 18325
676 1 2 . 1 1 34 34 VAL H H 34 8.615 8.615 8.160 0.455 18325
677 1 2 . 1 1 35 35 ASP N N 35 127.319 127.319 124.976 2.343 18325
678 1 2 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.423 0.514 18325
679 1 2 . 1 1 35 35 ASP C C 35 179.260 179.260 178.140 1.120 18325
680 1 2 . 1 1 35 35 ASP CA C 35 61.428 61.428 56.597 4.831 18325
681 1 2 . 1 1 35 35 ASP CB C 35 41.858 41.858 40.340 1.518 18325
682 1 2 . 1 1 35 35 ASP H H 35 8.458 8.458 8.845 -0.387 18325
683 1 2 . 1 1 36 36 ILE N N 36 119.537 119.537 114.447 5.090 18325
684 1 2 . 1 1 36 36 ILE HA H 36 4.360 4.360 4.045 0.315 18325
685 1 2 . 1 1 36 36 ILE C C 36 176.943 176.943 177.708 -0.765 18325
686 1 2 . 1 1 36 36 ILE CA C 36 63.681 63.681 63.801 -0.120 18325
687 1 2 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.546 0.091 18325
688 1 2 . 1 1 36 36 ILE H H 36 8.833 8.833 7.258 1.575 18325
689 1 2 . 1 1 37 37 GLU N N 37 122.074 122.074 120.301 1.773 18325
690 1 2 . 1 1 37 37 GLU HA H 37 4.131 4.131 4.060 0.071 18325
691 1 2 . 1 1 37 37 GLU C C 37 177.224 177.224 177.419 -0.195 18325
692 1 2 . 1 1 37 37 GLU CA C 37 58.503 58.503 58.638 -0.135 18325
693 1 2 . 1 1 37 37 GLU CB C 37 29.312 29.312 28.983 0.329 18325
694 1 2 . 1 1 37 37 GLU H H 37 8.815 8.815 8.626 0.189 18325
695 1 2 . 1 1 38 38 HIS N N 38 114.611 114.611 116.007 -1.396 18325
696 1 2 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.817 0.029 18325
697 1 2 . 1 1 38 38 HIS C C 38 174.168 174.168 173.783 0.385 18325
698 1 2 . 1 1 38 38 HIS CA C 38 55.189 55.189 55.529 -0.340 18325
699 1 2 . 1 1 38 38 HIS CB C 38 30.936 30.936 30.487 0.449 18325
700 1 2 . 1 1 38 38 HIS H H 38 7.661 7.661 8.290 -0.629 18325
701 1 2 . 1 1 39 39 ASN N N 39 117.944 117.944 118.870 -0.926 18325
702 1 2 . 1 1 39 39 ASN HA H 39 4.900 4.900 4.986 -0.086 18325
703 1 2 . 1 1 39 39 ASN C C 39 173.626 173.626 175.336 -1.710 18325
704 1 2 . 1 1 39 39 ASN CA C 39 52.634 52.634 52.684 -0.051 18325
705 1 2 . 1 1 39 39 ASN CB C 39 39.436 39.436 39.240 0.196 18325
706 1 2 . 1 1 39 39 ASN H H 39 7.095 7.095 7.630 -0.535 18325
707 1 2 . 1 1 40 40 ARG N N 40 126.603 126.603 126.215 0.388 18325
708 1 2 . 1 1 40 40 ARG HA H 40 4.142 4.142 4.199 -0.057 18325
709 1 2 . 1 1 40 40 ARG C C 40 178.292 178.292 177.216 1.076 18325
710 1 2 . 1 1 40 40 ARG CA C 40 59.371 59.371 59.147 0.224 18325
711 1 2 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.784 0.135 18325
712 1 2 . 1 1 40 40 ARG H H 40 8.750 8.750 8.821 -0.071 18325
713 1 2 . 1 1 41 41 ALA N N 41 122.148 122.148 121.803 0.345 18325
714 1 2 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.190 0.012 18325
715 1 2 . 1 1 41 41 ALA C C 41 181.236 181.236 179.408 1.828 18325
716 1 2 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.821 0.255 18325
717 1 2 . 1 1 41 41 ALA CB C 41 17.795 17.795 18.178 -0.383 18325
718 1 2 . 1 1 41 41 ALA H H 41 8.460 8.460 8.517 -0.057 18325
719 1 2 . 1 1 42 42 ALA N N 42 122.394 122.394 119.576 2.818 18325
720 1 2 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.231 -0.007 18325
721 1 2 . 1 1 42 42 ALA C C 42 178.949 178.949 178.935 0.014 18325
722 1 2 . 1 1 42 42 ALA CA C 42 54.423 54.423 54.048 0.375 18325
723 1 2 . 1 1 42 42 ALA CB C 42 19.786 19.786 18.935 0.851 18325
724 1 2 . 1 1 42 42 ALA H H 42 7.973 7.973 7.573 0.400 18325
725 1 2 . 1 1 43 43 ALA N N 43 120.965 120.965 122.723 -1.758 18325
726 1 2 . 1 1 43 43 ALA HA H 43 3.788 3.788 3.919 -0.131 18325
727 1 2 . 1 1 43 43 ALA C C 43 179.994 179.994 179.408 0.586 18325
728 1 2 . 1 1 43 43 ALA CA C 43 56.189 56.189 55.270 0.919 18325
729 1 2 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.478 -0.445 18325
730 1 2 . 1 1 43 43 ALA H H 43 8.170 8.170 7.795 0.375 18325
731 1 2 . 1 1 44 44 GLU N N 44 117.052 117.052 118.190 -1.138 18325
732 1 2 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.042 -0.089 18325
733 1 2 . 1 1 44 44 GLU C C 44 179.698 179.698 178.950 0.748 18325
734 1 2 . 1 1 44 44 GLU CA C 44 58.934 58.934 58.690 0.244 18325
735 1 2 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.577 -0.451 18325
736 1 2 . 1 1 44 44 GLU H H 44 8.240 8.240 8.512 -0.272 18325
737 1 2 . 1 1 45 45 PHE N N 45 122.282 122.282 121.059 1.223 18325
738 1 2 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.194 0.038 18325
739 1 2 . 1 1 45 45 PHE C C 45 177.994 177.994 176.722 1.272 18325
740 1 2 . 1 1 45 45 PHE CA C 45 61.170 61.170 60.811 0.359 18325
741 1 2 . 1 1 45 45 PHE CB C 45 38.225 38.225 39.142 -0.917 18325
742 1 2 . 1 1 45 45 PHE H H 45 8.068 8.068 7.425 0.643 18325
743 1 2 . 1 1 46 46 VAL N N 46 120.442 120.442 119.102 1.340 18325
744 1 2 . 1 1 46 46 VAL HA H 46 2.908 2.908 3.104 -0.196 18325
745 1 2 . 1 1 46 46 VAL C C 46 178.852 178.852 178.001 0.851 18325
746 1 2 . 1 1 46 46 VAL CA C 46 67.186 67.186 66.924 0.262 18325
747 1 2 . 1 1 46 46 VAL CB C 46 31.143 31.143 31.031 0.112 18325
748 1 2 . 1 1 46 46 VAL H H 46 8.363 8.363 8.085 0.278 18325
749 1 2 . 1 1 47 47 GLY N N 47 105.864 105.864 104.732 1.132 18325
750 1 2 . 1 1 47 47 GLY C C 47 176.759 176.759 176.097 0.662 18325
751 1 2 . 1 1 47 47 GLY CA C 47 46.690 46.690 47.110 -0.420 18325
752 1 2 . 1 1 47 47 GLY H H 47 8.187 8.187 7.714 0.473 18325
753 1 2 . 1 1 48 48 SER N N 48 118.796 118.796 115.862 2.934 18325
754 1 2 . 1 1 48 48 SER HA H 48 4.201 4.201 4.265 -0.064 18325
755 1 2 . 1 1 48 48 SER C C 48 176.571 176.571 175.833 0.738 18325
756 1 2 . 1 1 48 48 SER CA C 48 61.440 61.440 61.009 0.431 18325
757 1 2 . 1 1 48 48 SER CB C 48 62.661 62.661 63.169 -0.508 18325
758 1 2 . 1 1 48 48 SER H H 48 8.045 8.045 7.504 0.541 18325
759 1 2 . 1 1 49 49 VAL N N 49 114.967 114.967 115.329 -0.362 18325
760 1 2 . 1 1 49 49 VAL HA H 49 4.356 4.356 3.990 0.366 18325
761 1 2 . 1 1 49 49 VAL C C 49 175.807 175.807 176.349 -0.542 18325
762 1 2 . 1 1 49 49 VAL CA C 49 62.064 62.064 63.032 -0.969 18325
763 1 2 . 1 1 49 49 VAL CB C 49 31.110 31.110 31.617 -0.507 18325
764 1 2 . 1 1 49 49 VAL H H 49 7.040 7.040 7.156 -0.116 18325
765 1 2 . 1 1 50 50 ASN N N 50 119.765 119.765 118.408 1.357 18325
766 1 2 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.642 0.492 18325
767 1 2 . 1 1 50 50 ASN C C 50 176.473 176.473 175.798 0.675 18325
768 1 2 . 1 1 50 50 ASN CA C 50 53.454 53.454 54.122 -0.668 18325
769 1 2 . 1 1 50 50 ASN CB C 50 40.815 40.815 40.753 0.062 18325
770 1 2 . 1 1 50 50 ASN H H 50 7.364 7.364 7.415 -0.051 18325
771 1 2 . 1 1 51 51 GLY N N 51 110.407 110.407 107.004 3.403 18325
772 1 2 . 1 1 51 51 GLY C C 51 174.967 174.967 173.584 1.383 18325
773 1 2 . 1 1 51 51 GLY CA C 51 47.543 47.543 44.493 3.050 18325
774 1 2 . 1 1 51 51 GLY H H 51 8.546 8.546 8.055 0.491 18325
775 1 2 . 1 1 52 52 GLY N N 52 106.482 106.482 109.261 -2.779 18325
776 1 2 . 1 1 52 52 GLY C C 52 174.134 174.134 174.356 -0.222 18325
777 1 2 . 1 1 52 52 GLY CA C 52 44.424 44.424 45.207 -0.783 18325
778 1 2 . 1 1 52 52 GLY H H 52 8.810 8.810 8.431 0.379 18325
779 1 2 . 1 1 53 53 ASN N N 53 119.129 119.129 118.560 0.569 18325
780 1 2 . 1 1 53 53 ASN HA H 53 4.738 4.738 4.728 0.010 18325
781 1 2 . 1 1 53 53 ASN C C 53 174.828 174.828 174.230 0.598 18325
782 1 2 . 1 1 53 53 ASN CA C 53 52.654 52.654 51.816 0.838 18325
783 1 2 . 1 1 53 53 ASN CB C 53 40.237 40.237 39.268 0.969 18325
784 1 2 . 1 1 53 53 ASN H H 53 7.330 7.330 7.872 -0.542 18325
785 1 2 . 1 1 54 54 ARG N N 54 125.094 125.094 128.045 -2.951 18325
786 1 2 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.293 -0.159 18325
787 1 2 . 1 1 54 54 ARG C C 54 174.863 174.863 175.494 -0.631 18325
788 1 2 . 1 1 54 54 ARG CA C 54 55.132 55.132 56.593 -1.461 18325
789 1 2 . 1 1 54 54 ARG CB C 54 27.409 27.409 30.218 -2.809 18325
790 1 2 . 1 1 54 54 ARG H H 54 8.826 8.826 8.614 0.212 18325
791 1 2 . 1 1 55 55 THR N N 55 117.920 117.920 122.224 -4.304 18325
792 1 2 . 1 1 55 55 THR HA H 55 4.020 4.020 4.590 -0.570 18325
793 1 2 . 1 1 55 55 THR C C 55 172.459 172.459 174.986 -2.527 18325
794 1 2 . 1 1 55 55 THR CA C 55 63.451 63.451 61.700 1.750 18325
795 1 2 . 1 1 55 55 THR CB C 55 69.158 69.158 70.672 -1.514 18325
796 1 2 . 1 1 55 55 THR H H 55 6.994 6.994 9.079 -2.085 18325
797 1 2 . 1 1 56 56 VAL N N 56 117.300 117.300 125.887 -8.587 18325
798 1 2 . 1 1 56 56 VAL HA H 56 4.735 4.735 4.051 0.684 18325
799 1 2 . 1 1 56 56 VAL CA C 56 56.872 56.872 66.592 -9.720 18325
800 1 2 . 1 1 56 56 VAL CB C 56 34.378 34.378 30.554 3.824 18325
801 1 2 . 1 1 56 56 VAL H H 56 8.172 8.172 8.853 -0.681 18325
802 1 2 . 1 1 57 57 PRO HA H 57 5.350 5.350 4.955 0.395 18325
803 1 2 . 1 1 57 57 PRO C C 57 176.879 176.879 175.977 0.902 18325
804 1 2 . 1 1 57 57 PRO CA C 57 62.246 62.246 62.144 0.102 18325
805 1 2 . 1 1 57 57 PRO CB C 57 34.293 34.293 29.460 4.833 18325
806 1 2 . 1 1 58 58 THR N N 58 120.440 120.440 119.146 1.294 18325
807 1 2 . 1 1 58 58 THR HA H 58 5.042 5.042 4.863 0.179 18325
808 1 2 . 1 1 58 58 THR C C 58 172.321 172.321 173.422 -1.101 18325
809 1 2 . 1 1 58 58 THR CA C 58 63.449 63.449 62.903 0.546 18325
810 1 2 . 1 1 58 58 THR CB C 58 71.892 71.892 70.390 1.502 18325
811 1 2 . 1 1 58 58 THR H H 58 7.948 7.948 8.870 -0.922 18325
812 1 2 . 1 1 59 59 VAL N N 59 126.444 126.444 127.450 -1.006 18325
813 1 2 . 1 1 59 59 VAL HA H 59 5.095 5.095 4.813 0.282 18325
814 1 2 . 1 1 59 59 VAL C C 59 173.176 173.176 173.514 -0.338 18325
815 1 2 . 1 1 59 59 VAL CA C 59 60.133 60.133 59.671 0.462 18325
816 1 2 . 1 1 59 59 VAL CB C 59 34.117 34.117 34.627 -0.510 18325
817 1 2 . 1 1 59 59 VAL H H 59 9.428 9.428 8.924 0.504 18325
818 1 2 . 1 1 60 60 LYS N N 60 126.183 126.183 129.290 -3.107 18325
819 1 2 . 1 1 60 60 LYS HA H 60 5.379 5.379 5.242 0.137 18325
820 1 2 . 1 1 60 60 LYS C C 60 175.404 175.404 175.360 0.044 18325
821 1 2 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.421 0.190 18325
822 1 2 . 1 1 60 60 LYS CB C 60 37.601 37.601 35.053 2.548 18325
823 1 2 . 1 1 60 60 LYS H H 60 9.214 9.214 9.106 0.108 18325
824 1 2 . 1 1 61 61 PHE N N 61 126.709 126.709 124.111 2.598 18325
825 1 2 . 1 1 61 61 PHE HA H 61 4.736 4.736 4.856 -0.120 18325
826 1 2 . 1 1 61 61 PHE C C 61 178.102 178.102 177.480 0.622 18325
827 1 2 . 1 1 61 61 PHE CA C 61 58.048 58.048 57.951 0.097 18325
828 1 2 . 1 1 61 61 PHE CB C 61 41.221 41.221 40.413 0.808 18325
829 1 2 . 1 1 61 61 PHE H H 61 9.069 9.069 9.499 -0.430 18325
830 1 2 . 1 1 62 62 ALA N N 62 123.358 123.358 124.812 -1.454 18325
831 1 2 . 1 1 62 62 ALA HA H 62 4.134 4.134 3.979 0.155 18325
832 1 2 . 1 1 62 62 ALA C C 62 177.754 177.754 177.529 0.225 18325
833 1 2 . 1 1 62 62 ALA CA C 62 54.940 54.940 55.298 -0.358 18325
834 1 2 . 1 1 62 62 ALA CB C 62 19.243 19.243 18.386 0.857 18325
835 1 2 . 1 1 62 62 ALA H H 62 9.728 9.728 8.554 1.174 18325
836 1 2 . 1 1 63 63 ASP N N 63 113.412 113.412 114.909 -1.497 18325
837 1 2 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.586 -0.000 18325
838 1 2 . 1 1 63 63 ASP C C 63 177.032 177.032 177.338 -0.306 18325
839 1 2 . 1 1 63 63 ASP CA C 63 53.141 53.141 53.700 -0.560 18325
840 1 2 . 1 1 63 63 ASP CB C 63 40.040 40.040 40.661 -0.621 18325
841 1 2 . 1 1 63 63 ASP H H 63 7.675 7.675 7.882 -0.207 18325
842 1 2 . 1 1 64 64 GLY N N 64 109.285 109.285 108.712 0.573 18325
843 1 2 . 1 1 64 64 GLY C C 64 173.680 173.680 174.381 -0.701 18325
844 1 2 . 1 1 64 64 GLY CA C 64 45.328 45.328 44.800 0.528 18325
845 1 2 . 1 1 64 64 GLY H H 64 8.361 8.361 8.197 0.164 18325
846 1 2 . 1 1 65 65 SER N N 65 117.733 117.733 119.154 -1.421 18325
847 1 2 . 1 1 65 65 SER HA H 65 4.567 4.567 4.557 0.010 18325
848 1 2 . 1 1 65 65 SER C C 65 173.595 173.595 173.830 -0.235 18325
849 1 2 . 1 1 65 65 SER CA C 65 58.964 58.964 59.552 -0.588 18325
850 1 2 . 1 1 65 65 SER CB C 65 64.637 64.637 63.683 0.954 18325
851 1 2 . 1 1 65 65 SER H H 65 8.287 8.287 8.095 0.192 18325
852 1 2 . 1 1 66 66 THR N N 66 106.725 106.725 117.164 -10.439 18325
853 1 2 . 1 1 66 66 THR HA H 66 6.250 6.250 5.644 0.606 18325
854 1 2 . 1 1 66 66 THR C C 66 175.730 175.730 174.157 1.573 18325
855 1 2 . 1 1 66 66 THR CA C 66 59.494 59.494 60.106 -0.612 18325
856 1 2 . 1 1 66 66 THR CB C 66 73.049 73.049 71.126 1.923 18325
857 1 2 . 1 1 66 66 THR H H 66 8.221 8.221 8.420 -0.199 18325
858 1 2 . 1 1 67 67 LEU N N 67 117.517 117.517 126.128 -8.611 18325
859 1 2 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.793 0.075 18325
860 1 2 . 1 1 67 67 LEU C C 67 176.030 176.030 175.954 0.076 18325
861 1 2 . 1 1 67 67 LEU CA C 67 54.768 54.768 54.170 0.598 18325
862 1 2 . 1 1 67 67 LEU CB C 67 47.406 47.406 45.205 2.201 18325
863 1 2 . 1 1 67 67 LEU H H 67 8.763 8.763 9.265 -0.502 18325
864 1 2 . 1 1 68 68 THR N N 68 120.988 120.988 122.574 -1.586 18325
865 1 2 . 1 1 68 68 THR HA H 68 4.616 4.616 4.412 0.204 18325
866 1 2 . 1 1 68 68 THR C C 68 173.201 173.201 173.721 -0.520 18325
867 1 2 . 1 1 68 68 THR CA C 68 62.802 62.802 62.748 0.054 18325
868 1 2 . 1 1 68 68 THR CB C 68 69.226 69.226 68.970 0.256 18325
869 1 2 . 1 1 68 68 THR H H 68 9.226 9.226 8.715 0.511 18325
870 1 2 . 1 1 69 69 ASN N N 69 122.679 122.679 122.389 0.290 18325
871 1 2 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.574 -0.284 18325
872 1 2 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.530 0.936 18325
873 1 2 . 1 1 69 69 ASN CB C 69 38.731 38.731 37.459 1.272 18325
874 1 2 . 1 1 69 69 ASN H H 69 9.097 9.097 8.298 0.799 18325
875 1 2 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.758 0.111 18325
876 1 2 . 1 1 70 70 PRO C C 70 177.239 177.239 175.915 1.324 18325
877 1 2 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.506 0.551 18325
878 1 2 . 1 1 70 70 PRO CB C 70 32.153 32.153 32.554 -0.401 18325
879 1 2 . 1 1 71 71 SER N N 71 115.373 115.373 113.603 1.770 18325
880 1 2 . 1 1 71 71 SER HA H 71 4.620 4.620 4.638 -0.018 18325
881 1 2 . 1 1 71 71 SER C C 71 175.966 175.966 174.884 1.082 18325
882 1 2 . 1 1 71 71 SER CA C 71 56.624 56.624 57.194 -0.570 18325
883 1 2 . 1 1 71 71 SER CB C 71 65.562 65.562 65.064 0.498 18325
884 1 2 . 1 1 71 71 SER H H 71 8.932 8.932 8.159 0.773 18325
885 1 2 . 1 1 72 72 ALA N N 72 124.008 124.008 127.092 -3.084 18325
886 1 2 . 1 1 72 72 ALA HA H 72 3.763 3.763 3.981 -0.218 18325
887 1 2 . 1 1 72 72 ALA C C 72 179.550 179.550 179.009 0.541 18325
888 1 2 . 1 1 72 72 ALA CA C 72 55.970 55.970 55.515 0.455 18325
889 1 2 . 1 1 72 72 ALA CB C 72 17.873 17.873 18.294 -0.421 18325
890 1 2 . 1 1 72 72 ALA H H 72 9.235 9.235 8.795 0.440 18325
891 1 2 . 1 1 73 73 ASP N N 73 116.584 116.584 116.863 -0.279 18325
892 1 2 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.417 -0.087 18325
893 1 2 . 1 1 73 73 ASP C C 73 179.219 179.219 178.556 0.663 18325
894 1 2 . 1 1 73 73 ASP CA C 73 57.583 57.583 57.384 0.199 18325
895 1 2 . 1 1 73 73 ASP CB C 73 40.300 40.300 40.259 0.041 18325
896 1 2 . 1 1 73 73 ASP H H 73 8.277 8.277 8.788 -0.511 18325
897 1 2 . 1 1 74 74 GLU N N 74 122.057 122.057 120.941 1.116 18325
898 1 2 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.187 -0.172 18325
899 1 2 . 1 1 74 74 GLU C C 74 180.045 180.045 179.117 0.928 18325
900 1 2 . 1 1 74 74 GLU CA C 74 59.199 59.199 59.028 0.171 18325
901 1 2 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.368 0.706 18325
902 1 2 . 1 1 74 74 GLU H H 74 7.925 7.925 7.480 0.445 18325
903 1 2 . 1 1 75 75 VAL N N 75 120.141 120.141 120.324 -0.183 18325
904 1 2 . 1 1 75 75 VAL HA H 75 3.681 3.681 3.924 -0.243 18325
905 1 2 . 1 1 75 75 VAL C C 75 177.008 177.008 178.176 -1.168 18325
906 1 2 . 1 1 75 75 VAL CA C 75 67.172 67.172 66.601 0.571 18325
907 1 2 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.129 0.108 18325
908 1 2 . 1 1 75 75 VAL H H 75 7.885 7.885 8.417 -0.532 18325
909 1 2 . 1 1 76 76 LYS N N 76 118.715 118.715 120.532 -1.817 18325
910 1 2 . 1 1 76 76 LYS HA H 76 3.827 3.827 4.015 -0.188 18325
911 1 2 . 1 1 76 76 LYS C C 76 178.105 178.105 178.486 -0.381 18325
912 1 2 . 1 1 76 76 LYS CA C 76 60.397 60.397 60.076 0.321 18325
913 1 2 . 1 1 76 76 LYS CB C 76 32.405 32.405 32.354 0.051 18325
914 1 2 . 1 1 76 76 LYS H H 76 8.298 8.298 8.487 -0.189 18325
915 1 2 . 1 1 77 77 ALA N N 77 118.993 118.993 120.047 -1.054 18325
916 1 2 . 1 1 77 77 ALA HA H 77 4.031 4.031 4.095 -0.064 18325
917 1 2 . 1 1 77 77 ALA C C 77 180.450 180.450 179.401 1.049 18325
918 1 2 . 1 1 77 77 ALA CA C 77 54.820 54.820 54.812 0.008 18325
919 1 2 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.418 -0.218 18325
920 1 2 . 1 1 77 77 ALA H H 77 7.985 7.985 7.904 0.081 18325
921 1 2 . 1 1 78 78 LYS N N 78 119.952 119.952 118.766 1.186 18325
922 1 2 . 1 1 78 78 LYS HA H 78 3.975 3.975 4.145 -0.170 18325
923 1 2 . 1 1 78 78 LYS C C 78 177.949 177.949 178.573 -0.624 18325
924 1 2 . 1 1 78 78 LYS CA C 78 58.079 58.079 57.646 0.433 18325
925 1 2 . 1 1 78 78 LYS CB C 78 31.342 31.342 32.121 -0.779 18325
926 1 2 . 1 1 78 78 LYS H H 78 7.480 7.480 7.739 -0.259 18325
927 1 2 . 1 1 79 79 LEU N N 79 118.729 118.729 122.092 -3.363 18325
928 1 2 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.211 -0.175 18325
929 1 2 . 1 1 79 79 LEU C C 79 180.234 180.234 178.154 2.080 18325
930 1 2 . 1 1 79 79 LEU CA C 79 58.096 58.096 58.542 -0.446 18325
931 1 2 . 1 1 79 79 LEU CB C 79 41.776 41.776 41.934 -0.158 18325
932 1 2 . 1 1 79 79 LEU H H 79 8.075 8.075 8.468 -0.393 18325
933 1 2 . 1 1 80 80 VAL N N 80 118.567 118.567 113.692 4.875 18325
934 1 2 . 1 1 80 80 VAL HA H 80 3.733 3.733 3.685 0.048 18325
935 1 2 . 1 1 80 80 VAL C C 80 178.390 178.390 176.304 2.086 18325
936 1 2 . 1 1 80 80 VAL CA C 80 65.895 65.895 65.053 0.842 18325
937 1 2 . 1 1 80 80 VAL CB C 80 31.961 31.961 31.675 0.286 18325
938 1 2 . 1 1 80 80 VAL H H 80 7.867 7.867 7.945 -0.078 18325
939 1 2 . 1 1 81 81 LYS N N 81 121.106 121.106 117.089 4.017 18325
940 1 2 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.131 -0.039 18325
941 1 2 . 1 1 81 81 LYS C C 81 179.434 179.434 178.924 0.510 18325
942 1 2 . 1 1 81 81 LYS CA C 81 58.943 58.943 57.587 1.356 18325
943 1 2 . 1 1 81 81 LYS CB C 81 32.497 32.497 32.602 -0.105 18325
944 1 2 . 1 1 81 81 LYS H H 81 7.565 7.565 7.216 0.349 18325
945 1 2 . 1 1 82 82 ILE N N 82 117.365 117.365 116.906 0.459 18325
946 1 2 . 1 1 82 82 ILE HA H 82 3.953 3.953 4.164 -0.211 18325
947 1 2 . 1 1 82 82 ILE C C 82 177.482 177.482 176.890 0.592 18325
948 1 2 . 1 1 82 82 ILE CA C 82 63.598 63.598 62.703 0.895 18325
949 1 2 . 1 1 82 82 ILE CB C 82 38.372 38.372 37.257 1.115 18325
950 1 2 . 1 1 82 82 ILE H H 82 8.124 8.124 8.112 0.012 18325
951 1 2 . 1 1 83 83 ALA N N 83 123.334 123.334 120.378 2.956 18325
952 1 2 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.549 -0.270 18325
953 1 2 . 1 1 83 83 ALA C C 83 179.104 179.104 177.709 1.395 18325
954 1 2 . 1 1 83 83 ALA CA C 83 53.851 53.851 51.607 2.244 18325
955 1 2 . 1 1 83 83 ALA CB C 83 18.769 18.769 19.068 -0.299 18325
956 1 2 . 1 1 83 83 ALA H H 83 7.867 7.867 7.855 0.012 18325
957 1 2 . 1 1 84 84 GLY N N 84 105.962 105.962 108.325 -2.363 18325
958 1 2 . 1 1 84 84 GLY C C 84 174.779 174.779 174.218 0.561 18325
959 1 2 . 1 1 84 84 GLY CA C 84 45.847 45.847 46.011 -0.164 18325
960 1 2 . 1 1 84 84 GLY H H 84 8.019 8.019 7.564 0.455 18325
961 1 2 . 1 1 85 85 LEU N N 85 120.702 120.702 126.543 -5.841 18325
962 1 2 . 1 1 85 85 LEU HA H 85 4.275 4.275 4.543 -0.268 18325
963 1 2 . 1 1 85 85 LEU C C 85 177.609 177.609 176.201 1.408 18325
964 1 2 . 1 1 85 85 LEU CA C 85 55.511 55.511 53.857 1.654 18325
965 1 2 . 1 1 85 85 LEU CB C 85 42.449 42.449 42.724 -0.275 18325
966 1 2 . 1 1 85 85 LEU H H 85 7.727 7.727 8.293 -0.566 18325
967 1 2 . 1 1 86 86 GLU N N 86 120.386 120.386 120.273 0.113 18325
968 1 2 . 1 1 86 86 GLU HA H 86 4.154 4.154 4.423 -0.269 18325
969 1 2 . 1 1 86 86 GLU C C 86 176.359 176.359 176.223 0.136 18325
970 1 2 . 1 1 86 86 GLU CA C 86 56.941 56.941 55.779 1.162 18325
971 1 2 . 1 1 86 86 GLU CB C 86 30.180 30.180 28.375 1.804 18325
972 1 2 . 1 1 86 86 GLU H H 86 8.238 8.238 7.487 0.751 18325
973 1 2 . 1 1 87 87 HIS N N 87 119.393 119.393 120.917 -1.524 18325
974 1 2 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.462 0.128 18325
975 1 2 . 1 1 87 87 HIS C C 87 174.000 174.000 175.051 -1.051 18325
976 1 2 . 1 1 87 87 HIS CA C 87 56.146 56.146 57.208 -1.062 18325
977 1 2 . 1 1 87 87 HIS CB C 87 30.335 30.335 30.479 -0.144 18325
978 1 2 . 1 1 87 87 HIS H H 87 8.177 8.177 8.297 -0.120 18325
979 1 3 . 1 1 2 2 VAL HA H 2 4.195 4.195 4.364 -0.169 18325
980 1 3 . 1 1 2 2 VAL C C 2 175.805 175.805 174.948 0.857 18325
981 1 3 . 1 1 2 2 VAL CA C 2 62.388 62.388 62.080 0.308 18325
982 1 3 . 1 1 2 2 VAL CB C 2 32.777 32.777 32.101 0.676 18325
983 1 3 . 1 1 3 3 THR N N 3 119.229 119.229 122.040 -2.811 18325
984 1 3 . 1 1 3 3 THR HA H 3 4.259 4.259 4.513 -0.254 18325
985 1 3 . 1 1 3 3 THR C C 3 173.761 173.761 174.077 -0.316 18325
986 1 3 . 1 1 3 3 THR CA C 3 61.673 61.673 60.048 1.625 18325
987 1 3 . 1 1 3 3 THR CB C 3 69.846 69.846 71.591 -1.745 18325
988 1 3 . 1 1 3 3 THR H H 3 8.256 8.256 8.130 0.126 18325
989 1 3 . 1 1 4 4 ALA N N 4 126.635 126.635 125.063 1.572 18325
990 1 3 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.379 -0.225 18325
991 1 3 . 1 1 4 4 ALA C C 4 177.002 177.002 176.895 0.107 18325
992 1 3 . 1 1 4 4 ALA CA C 4 52.159 52.159 52.198 -0.039 18325
993 1 3 . 1 1 4 4 ALA CB C 4 19.512 19.512 17.960 1.552 18325
994 1 3 . 1 1 4 4 ALA H H 4 8.367 8.367 8.542 -0.175 18325
995 1 3 . 1 1 5 5 ALA N N 5 123.621 123.621 126.047 -2.426 18325
996 1 3 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.399 -0.132 18325
997 1 3 . 1 1 5 5 ALA C C 5 176.288 176.288 176.223 0.065 18325
998 1 3 . 1 1 5 5 ALA CA C 5 52.894 52.894 51.901 0.993 18325
999 1 3 . 1 1 5 5 ALA CB C 5 19.494 19.494 20.040 -0.546 18325
1000 1 3 . 1 1 5 5 ALA H H 5 8.374 8.374 8.307 0.067 18325
1001 1 3 . 1 1 6 6 LEU N N 6 115.731 115.731 117.725 -1.994 18325
1002 1 3 . 1 1 6 6 LEU HA H 6 4.648 4.648 4.986 -0.338 18325
1003 1 3 . 1 1 6 6 LEU C C 6 175.007 175.007 175.869 -0.862 18325
1004 1 3 . 1 1 6 6 LEU CA C 6 54.263 54.263 52.996 1.267 18325
1005 1 3 . 1 1 6 6 LEU CB C 6 44.224 44.224 44.782 -0.558 18325
1006 1 3 . 1 1 6 6 LEU H H 6 7.478 7.478 7.274 0.203 18325
1007 1 3 . 1 1 7 7 THR N N 7 119.383 119.383 120.004 -0.621 18325
1008 1 3 . 1 1 7 7 THR HA H 7 4.906 4.906 4.774 0.132 18325
1009 1 3 . 1 1 7 7 THR C C 7 172.657 172.657 173.422 -0.765 18325
1010 1 3 . 1 1 7 7 THR CA C 7 61.586 61.586 62.063 -0.477 18325
1011 1 3 . 1 1 7 7 THR CB C 7 70.917 70.917 68.803 2.114 18325
1012 1 3 . 1 1 7 7 THR H H 7 8.342 8.342 8.887 -0.545 18325
1013 1 3 . 1 1 8 8 ILE N N 8 124.711 124.711 127.712 -3.001 18325
1014 1 3 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.572 0.003 18325
1015 1 3 . 1 1 8 8 ILE C C 8 172.650 172.650 174.701 -2.051 18325
1016 1 3 . 1 1 8 8 ILE CA C 8 59.206 59.206 59.867 -0.661 18325
1017 1 3 . 1 1 8 8 ILE CB C 8 40.150 40.150 40.346 -0.196 18325
1018 1 3 . 1 1 8 8 ILE H H 8 9.050 9.050 9.037 0.013 18325
1019 1 3 . 1 1 9 9 TYR N N 9 128.517 128.517 128.906 -0.389 18325
1020 1 3 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.553 0.872 18325
1021 1 3 . 1 1 9 9 TYR C C 9 176.445 176.445 174.817 1.628 18325
1022 1 3 . 1 1 9 9 TYR CA C 9 57.397 57.397 59.379 -1.982 18325
1023 1 3 . 1 1 9 9 TYR CB C 9 39.232 39.232 38.689 0.543 18325
1024 1 3 . 1 1 9 9 TYR H H 9 9.094 9.094 8.936 0.158 18325
1025 1 3 . 1 1 10 10 THR N N 10 112.214 112.214 114.239 -2.025 18325
1026 1 3 . 1 1 10 10 THR HA H 10 4.778 4.778 4.538 0.240 18325
1027 1 3 . 1 1 10 10 THR C C 10 173.410 173.410 172.712 0.698 18325
1028 1 3 . 1 1 10 10 THR CA C 10 59.893 59.893 59.564 0.329 18325
1029 1 3 . 1 1 10 10 THR CB C 10 72.063 72.063 71.683 0.380 18325
1030 1 3 . 1 1 10 10 THR H H 10 8.824 8.824 8.280 0.544 18325
1031 1 3 . 1 1 11 11 THR N N 11 103.866 103.866 113.380 -9.514 18325
1032 1 3 . 1 1 11 11 THR HA H 11 4.585 4.585 4.591 -0.006 18325
1033 1 3 . 1 1 11 11 THR C C 11 176.335 176.335 173.877 2.458 18325
1034 1 3 . 1 1 11 11 THR CA C 11 60.389 60.389 61.233 -0.844 18325
1035 1 3 . 1 1 11 11 THR CB C 11 72.584 72.584 72.088 0.496 18325
1036 1 3 . 1 1 11 11 THR H H 11 6.667 6.667 7.885 -1.218 18325
1037 1 3 . 1 1 12 12 SER N N 12 116.991 116.991 118.903 -1.912 18325
1038 1 3 . 1 1 12 12 SER HA H 12 4.134 4.134 4.331 -0.197 18325
1039 1 3 . 1 1 12 12 SER C C 12 174.863 174.863 174.552 0.311 18325
1040 1 3 . 1 1 12 12 SER CA C 12 61.183 61.183 62.261 -1.078 18325
1041 1 3 . 1 1 12 12 SER CB C 12 62.845 62.845 63.330 -0.485 18325
1042 1 3 . 1 1 12 12 SER H H 12 9.561 9.561 9.572 -0.011 18325
1043 1 3 . 1 1 13 13 TRP N N 13 117.675 117.675 123.516 -5.841 18325
1044 1 3 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.534 0.241 18325
1045 1 3 . 1 1 13 13 TRP C C 13 175.144 175.144 174.474 0.670 18325
1046 1 3 . 1 1 13 13 TRP CA C 13 54.555 54.555 57.103 -2.548 18325
1047 1 3 . 1 1 13 13 TRP CB C 13 28.292 28.292 28.794 -0.502 18325
1048 1 3 . 1 1 13 13 TRP H H 13 6.996 6.996 7.729 -0.733 18325
1049 1 3 . 1 1 14 14 CYS N N 14 120.513 120.513 127.098 -6.585 18325
1050 1 3 . 1 1 14 14 CYS HA H 14 4.498 4.498 4.687 -0.189 18325
1051 1 3 . 1 1 14 14 CYS CA C 14 53.859 53.859 58.557 -4.699 18325
1052 1 3 . 1 1 14 14 CYS CB C 14 44.419 44.419 29.337 15.082 18325
1053 1 3 . 1 1 14 14 CYS H H 14 6.755 6.755 8.219 -1.464 18325
1054 1 3 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.325 0.052 18325
1055 1 3 . 1 1 16 16 TYR C C 16 177.495 177.495 177.437 0.058 18325
1056 1 3 . 1 1 16 16 TYR CA C 16 60.662 60.662 60.317 0.345 18325
1057 1 3 . 1 1 16 16 TYR CB C 16 37.852 37.852 38.168 -0.316 18325
1058 1 3 . 1 1 17 17 CYS N N 17 114.160 114.160 115.387 -1.227 18325
1059 1 3 . 1 1 17 17 CYS HA H 17 3.923 3.923 4.156 -0.233 18325
1060 1 3 . 1 1 17 17 CYS C C 17 174.680 174.680 176.544 -1.864 18325
1061 1 3 . 1 1 17 17 CYS CA C 17 65.302 65.302 60.694 4.608 18325
1062 1 3 . 1 1 17 17 CYS CB C 17 33.986 33.986 25.908 8.078 18325
1063 1 3 . 1 1 17 17 CYS H H 17 8.495 8.495 8.571 -0.076 18325
1064 1 3 . 1 1 18 18 LEU N N 18 119.295 119.295 122.401 -3.106 18325
1065 1 3 . 1 1 18 18 LEU HA H 18 4.031 4.031 4.028 0.003 18325
1066 1 3 . 1 1 18 18 LEU C C 18 179.001 179.001 178.638 0.363 18325
1067 1 3 . 1 1 18 18 LEU CA C 18 58.234 58.234 57.851 0.383 18325
1068 1 3 . 1 1 18 18 LEU CB C 18 41.205 41.205 41.120 0.086 18325
1069 1 3 . 1 1 18 18 LEU H H 18 7.311 7.311 7.733 -0.422 18325
1070 1 3 . 1 1 19 19 ARG N N 19 119.771 119.771 119.757 0.014 18325
1071 1 3 . 1 1 19 19 ARG HA H 19 3.998 3.998 3.959 0.039 18325
1072 1 3 . 1 1 19 19 ARG C C 19 178.949 178.949 178.429 0.520 18325
1073 1 3 . 1 1 19 19 ARG CA C 19 59.597 59.597 59.388 0.209 18325
1074 1 3 . 1 1 19 19 ARG CB C 19 30.006 30.006 29.626 0.380 18325
1075 1 3 . 1 1 19 19 ARG H H 19 7.469 7.469 7.227 0.242 18325
1076 1 3 . 1 1 20 20 LEU N N 20 120.802 120.802 119.752 1.050 18325
1077 1 3 . 1 1 20 20 LEU HA H 20 4.097 4.097 3.972 0.125 18325
1078 1 3 . 1 1 20 20 LEU C C 20 177.928 177.928 177.929 -0.001 18325
1079 1 3 . 1 1 20 20 LEU CA C 20 57.757 57.757 57.712 0.044 18325
1080 1 3 . 1 1 20 20 LEU CB C 20 40.940 40.940 41.727 -0.787 18325
1081 1 3 . 1 1 20 20 LEU H H 20 8.150 8.150 7.421 0.729 18325
1082 1 3 . 1 1 21 21 LYS N N 21 117.910 117.910 119.321 -1.411 18325
1083 1 3 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.649 -0.369 18325
1084 1 3 . 1 1 21 21 LYS C C 21 178.851 178.851 178.833 0.018 18325
1085 1 3 . 1 1 21 21 LYS CA C 21 61.353 61.353 60.013 1.340 18325
1086 1 3 . 1 1 21 21 LYS CB C 21 31.698 31.698 32.173 -0.475 18325
1087 1 3 . 1 1 21 21 LYS H H 21 7.854 7.854 8.319 -0.465 18325
1088 1 3 . 1 1 22 22 THR N N 22 115.451 115.451 115.845 -0.394 18325
1089 1 3 . 1 1 22 22 THR HA H 22 3.889 3.889 4.047 -0.158 18325
1090 1 3 . 1 1 22 22 THR C C 22 176.571 176.571 176.151 0.420 18325
1091 1 3 . 1 1 22 22 THR CA C 22 66.849 66.849 66.604 0.245 18325
1092 1 3 . 1 1 22 22 THR CB C 22 68.793 68.793 68.708 0.085 18325
1093 1 3 . 1 1 22 22 THR H H 22 8.125 8.125 8.210 -0.085 18325
1094 1 3 . 1 1 23 23 ALA N N 23 125.218 125.218 124.763 0.455 18325
1095 1 3 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.094 0.180 18325
1096 1 3 . 1 1 23 23 ALA C C 23 180.948 180.948 179.596 1.352 18325
1097 1 3 . 1 1 23 23 ALA CA C 23 55.003 55.003 55.124 -0.121 18325
1098 1 3 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.133 0.709 18325
1099 1 3 . 1 1 23 23 ALA H H 23 7.892 7.892 7.609 0.283 18325
1100 1 3 . 1 1 24 24 LEU N N 24 120.007 120.007 117.764 2.243 18325
1101 1 3 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.959 0.059 18325
1102 1 3 . 1 1 24 24 LEU C C 24 179.738 179.738 179.265 0.473 18325
1103 1 3 . 1 1 24 24 LEU CA C 24 58.807 58.807 57.883 0.924 18325
1104 1 3 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.653 -1.839 18325
1105 1 3 . 1 1 24 24 LEU H H 24 8.775 8.775 8.609 0.166 18325
1106 1 3 . 1 1 25 25 THR N N 25 118.777 118.777 115.953 2.824 18325
1107 1 3 . 1 1 25 25 THR HA H 25 4.175 4.175 4.164 0.011 18325
1108 1 3 . 1 1 25 25 THR C C 25 178.539 178.539 177.018 1.521 18325
1109 1 3 . 1 1 25 25 THR CA C 25 67.138 67.138 66.569 0.569 18325
1110 1 3 . 1 1 25 25 THR CB C 25 68.679 68.679 68.531 0.148 18325
1111 1 3 . 1 1 25 25 THR H H 25 8.636 8.636 8.081 0.555 18325
1112 1 3 . 1 1 26 26 ALA N N 26 126.122 126.122 123.883 2.239 18325
1113 1 3 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.250 -0.062 18325
1114 1 3 . 1 1 26 26 ALA C C 26 178.536 178.536 178.622 -0.086 18325
1115 1 3 . 1 1 26 26 ALA CA C 26 55.134 55.134 54.407 0.727 18325
1116 1 3 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.206 -0.319 18325
1117 1 3 . 1 1 26 26 ALA H H 26 8.357 8.357 8.290 0.067 18325
1118 1 3 . 1 1 27 27 ASN N N 27 114.755 114.755 114.507 0.248 18325
1119 1 3 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.815 -0.118 18325
1120 1 3 . 1 1 27 27 ASN C C 27 172.751 172.751 174.397 -1.646 18325
1121 1 3 . 1 1 27 27 ASN CA C 27 53.712 53.712 53.204 0.508 18325
1122 1 3 . 1 1 27 27 ASN CB C 27 40.648 40.648 39.165 1.483 18325
1123 1 3 . 1 1 27 27 ASN H H 27 7.456 7.456 7.618 -0.162 18325
1124 1 3 . 1 1 28 28 ARG N N 28 115.444 115.444 114.976 0.468 18325
1125 1 3 . 1 1 28 28 ARG HA H 28 3.934 3.934 3.869 0.065 18325
1126 1 3 . 1 1 28 28 ARG C C 28 175.075 175.075 174.955 0.120 18325
1127 1 3 . 1 1 28 28 ARG CA C 28 57.091 57.091 57.230 -0.139 18325
1128 1 3 . 1 1 28 28 ARG CB C 28 26.393 26.393 27.373 -0.980 18325
1129 1 3 . 1 1 28 28 ARG H H 28 8.183 8.183 7.496 0.687 18325
1130 1 3 . 1 1 29 29 ILE N N 29 120.976 120.976 120.183 0.793 18325
1131 1 3 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.156 -0.077 18325
1132 1 3 . 1 1 29 29 ILE C C 29 175.050 175.050 174.629 0.421 18325
1133 1 3 . 1 1 29 29 ILE CA C 29 60.664 60.664 60.911 -0.247 18325
1134 1 3 . 1 1 29 29 ILE CB C 29 38.695 38.695 38.166 0.529 18325
1135 1 3 . 1 1 29 29 ILE H H 29 8.004 8.004 8.243 -0.239 18325
1136 1 3 . 1 1 30 30 ALA N N 30 131.099 131.099 131.143 -0.044 18325
1137 1 3 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.492 -0.324 18325
1138 1 3 . 1 1 30 30 ALA C C 30 176.360 176.360 175.540 0.820 18325
1139 1 3 . 1 1 30 30 ALA CA C 30 51.819 51.819 51.195 0.624 18325
1140 1 3 . 1 1 30 30 ALA CB C 30 19.641 19.641 20.048 -0.407 18325
1141 1 3 . 1 1 30 30 ALA H H 30 8.329 8.329 8.470 -0.141 18325
1142 1 3 . 1 1 31 31 TYR N N 31 114.363 114.363 118.980 -4.617 18325
1143 1 3 . 1 1 31 31 TYR HA H 31 5.133 5.133 5.166 -0.033 18325
1144 1 3 . 1 1 31 31 TYR C C 31 173.470 173.470 173.619 -0.149 18325
1145 1 3 . 1 1 31 31 TYR CA C 31 55.522 55.522 55.083 0.439 18325
1146 1 3 . 1 1 31 31 TYR CB C 31 41.184 41.184 40.868 0.316 18325
1147 1 3 . 1 1 31 31 TYR H H 31 7.509 7.509 7.687 -0.178 18325
1148 1 3 . 1 1 32 32 ASP N N 32 120.754 120.754 121.405 -0.651 18325
1149 1 3 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.915 0.011 18325
1150 1 3 . 1 1 32 32 ASP C C 32 174.611 174.611 175.058 -0.447 18325
1151 1 3 . 1 1 32 32 ASP CA C 32 52.875 52.875 52.194 0.681 18325
1152 1 3 . 1 1 32 32 ASP CB C 32 42.843 42.843 43.688 -0.845 18325
1153 1 3 . 1 1 32 32 ASP H H 32 8.517 8.517 8.791 -0.274 18325
1154 1 3 . 1 1 33 33 GLU N N 33 124.650 124.650 123.598 1.052 18325
1155 1 3 . 1 1 33 33 GLU HA H 33 5.205 5.205 5.285 -0.080 18325
1156 1 3 . 1 1 33 33 GLU C C 33 175.049 175.049 175.774 -0.725 18325
1157 1 3 . 1 1 33 33 GLU CA C 33 54.489 54.489 55.105 -0.616 18325
1158 1 3 . 1 1 33 33 GLU CB C 33 32.425 32.425 31.028 1.397 18325
1159 1 3 . 1 1 33 33 GLU H H 33 8.836 8.836 8.552 0.284 18325
1160 1 3 . 1 1 34 34 VAL N N 34 128.112 128.112 123.649 4.463 18325
1161 1 3 . 1 1 34 34 VAL HA H 34 4.062 4.062 4.143 -0.081 18325
1162 1 3 . 1 1 34 34 VAL C C 34 173.620 173.620 176.595 -2.975 18325
1163 1 3 . 1 1 34 34 VAL CA C 34 61.427 61.427 61.176 0.251 18325
1164 1 3 . 1 1 34 34 VAL CB C 34 34.690 34.690 33.278 1.412 18325
1165 1 3 . 1 1 34 34 VAL H H 34 8.615 8.615 7.780 0.835 18325
1166 1 3 . 1 1 35 35 ASP N N 35 127.319 127.319 123.095 4.224 18325
1167 1 3 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.570 0.367 18325
1168 1 3 . 1 1 35 35 ASP C C 35 179.260 179.260 177.811 1.449 18325
1169 1 3 . 1 1 35 35 ASP CA C 35 61.428 61.428 56.653 4.775 18325
1170 1 3 . 1 1 35 35 ASP CB C 35 41.858 41.858 40.654 1.204 18325
1171 1 3 . 1 1 35 35 ASP H H 35 8.458 8.458 8.739 -0.281 18325
1172 1 3 . 1 1 36 36 ILE N N 36 119.537 119.537 116.293 3.244 18325
1173 1 3 . 1 1 36 36 ILE HA H 36 4.360 4.360 4.024 0.336 18325
1174 1 3 . 1 1 36 36 ILE C C 36 176.943 176.943 176.923 0.020 18325
1175 1 3 . 1 1 36 36 ILE CA C 36 63.681 63.681 63.572 0.109 18325
1176 1 3 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.507 0.130 18325
1177 1 3 . 1 1 36 36 ILE H H 36 8.833 8.833 7.988 0.845 18325
1178 1 3 . 1 1 37 37 GLU N N 37 122.074 122.074 119.537 2.537 18325
1179 1 3 . 1 1 37 37 GLU HA H 37 4.131 4.131 4.008 0.123 18325
1180 1 3 . 1 1 37 37 GLU C C 37 177.224 177.224 177.412 -0.188 18325
1181 1 3 . 1 1 37 37 GLU CA C 37 58.503 58.503 59.025 -0.522 18325
1182 1 3 . 1 1 37 37 GLU CB C 37 29.312 29.312 29.722 -0.410 18325
1183 1 3 . 1 1 37 37 GLU H H 37 8.815 8.815 8.462 0.353 18325
1184 1 3 . 1 1 38 38 HIS N N 38 114.611 114.611 116.739 -2.128 18325
1185 1 3 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.682 0.164 18325
1186 1 3 . 1 1 38 38 HIS C C 38 174.168 174.168 175.366 -1.198 18325
1187 1 3 . 1 1 38 38 HIS CA C 38 55.189 55.189 57.155 -1.966 18325
1188 1 3 . 1 1 38 38 HIS CB C 38 30.936 30.936 31.262 -0.327 18325
1189 1 3 . 1 1 38 38 HIS H H 38 7.661 7.661 7.803 -0.142 18325
1190 1 3 . 1 1 39 39 ASN N N 39 117.944 117.944 119.512 -1.568 18325
1191 1 3 . 1 1 39 39 ASN HA H 39 4.900 4.900 4.585 0.315 18325
1192 1 3 . 1 1 39 39 ASN C C 39 173.626 173.626 176.151 -2.525 18325
1193 1 3 . 1 1 39 39 ASN CA C 39 52.634 52.634 52.756 -0.122 18325
1194 1 3 . 1 1 39 39 ASN CB C 39 39.436 39.436 38.706 0.730 18325
1195 1 3 . 1 1 39 39 ASN H H 39 7.095 7.095 8.234 -1.139 18325
1196 1 3 . 1 1 40 40 ARG N N 40 126.603 126.603 127.193 -0.590 18325
1197 1 3 . 1 1 40 40 ARG HA H 40 4.142 4.142 4.196 -0.054 18325
1198 1 3 . 1 1 40 40 ARG C C 40 178.292 178.292 177.174 1.118 18325
1199 1 3 . 1 1 40 40 ARG CA C 40 59.371 59.371 57.975 1.396 18325
1200 1 3 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.282 0.637 18325
1201 1 3 . 1 1 40 40 ARG H H 40 8.750 8.750 8.349 0.401 18325
1202 1 3 . 1 1 41 41 ALA N N 41 122.148 122.148 123.270 -1.122 18325
1203 1 3 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.210 -0.007 18325
1204 1 3 . 1 1 41 41 ALA C C 41 181.236 181.236 179.501 1.735 18325
1205 1 3 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.734 0.342 18325
1206 1 3 . 1 1 41 41 ALA CB C 41 17.795 17.795 18.118 -0.323 18325
1207 1 3 . 1 1 41 41 ALA H H 41 8.460 8.460 7.950 0.510 18325
1208 1 3 . 1 1 42 42 ALA N N 42 122.394 122.394 120.069 2.325 18325
1209 1 3 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.210 0.014 18325
1210 1 3 . 1 1 42 42 ALA C C 42 178.949 178.949 179.125 -0.176 18325
1211 1 3 . 1 1 42 42 ALA CA C 42 54.423 54.423 54.268 0.155 18325
1212 1 3 . 1 1 42 42 ALA CB C 42 19.786 19.786 18.453 1.333 18325
1213 1 3 . 1 1 42 42 ALA H H 42 7.973 7.973 8.303 -0.330 18325
1214 1 3 . 1 1 43 43 ALA N N 43 120.965 120.965 121.249 -0.284 18325
1215 1 3 . 1 1 43 43 ALA HA H 43 3.788 3.788 3.959 -0.171 18325
1216 1 3 . 1 1 43 43 ALA C C 43 179.994 179.994 178.897 1.097 18325
1217 1 3 . 1 1 43 43 ALA CA C 43 56.189 56.189 54.991 1.198 18325
1218 1 3 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.295 -0.262 18325
1219 1 3 . 1 1 43 43 ALA H H 43 8.170 8.170 7.703 0.467 18325
1220 1 3 . 1 1 44 44 GLU N N 44 117.052 117.052 119.691 -2.639 18325
1221 1 3 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.091 -0.138 18325
1222 1 3 . 1 1 44 44 GLU C C 44 179.698 179.698 178.241 1.457 18325
1223 1 3 . 1 1 44 44 GLU CA C 44 58.934 58.934 58.687 0.247 18325
1224 1 3 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.361 -0.235 18325
1225 1 3 . 1 1 44 44 GLU H H 44 8.240 8.240 7.904 0.336 18325
1226 1 3 . 1 1 45 45 PHE N N 45 122.282 122.282 120.346 1.936 18325
1227 1 3 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.191 0.041 18325
1228 1 3 . 1 1 45 45 PHE C C 45 177.994 177.994 177.079 0.915 18325
1229 1 3 . 1 1 45 45 PHE CA C 45 61.170 61.170 61.454 -0.284 18325
1230 1 3 . 1 1 45 45 PHE CB C 45 38.225 38.225 39.175 -0.950 18325
1231 1 3 . 1 1 45 45 PHE H H 45 8.068 8.068 7.488 0.580 18325
1232 1 3 . 1 1 46 46 VAL N N 46 120.442 120.442 118.460 1.982 18325
1233 1 3 . 1 1 46 46 VAL HA H 46 2.908 2.908 3.354 -0.446 18325
1234 1 3 . 1 1 46 46 VAL C C 46 178.852 178.852 178.210 0.642 18325
1235 1 3 . 1 1 46 46 VAL CA C 46 67.186 67.186 66.267 0.919 18325
1236 1 3 . 1 1 46 46 VAL CB C 46 31.143 31.143 30.585 0.558 18325
1237 1 3 . 1 1 46 46 VAL H H 46 8.363 8.363 7.684 0.679 18325
1238 1 3 . 1 1 47 47 GLY N N 47 105.864 105.864 105.652 0.212 18325
1239 1 3 . 1 1 47 47 GLY C C 47 176.759 176.759 175.720 1.039 18325
1240 1 3 . 1 1 47 47 GLY CA C 47 46.690 46.690 47.133 -0.443 18325
1241 1 3 . 1 1 47 47 GLY H H 47 8.187 8.187 8.502 -0.315 18325
1242 1 3 . 1 1 48 48 SER N N 48 118.796 118.796 115.498 3.298 18325
1243 1 3 . 1 1 48 48 SER HA H 48 4.201 4.201 4.232 -0.031 18325
1244 1 3 . 1 1 48 48 SER C C 48 176.571 176.571 175.389 1.182 18325
1245 1 3 . 1 1 48 48 SER CA C 48 61.440 61.440 60.710 0.730 18325
1246 1 3 . 1 1 48 48 SER CB C 48 62.661 62.661 63.404 -0.743 18325
1247 1 3 . 1 1 48 48 SER H H 48 8.045 8.045 7.492 0.553 18325
1248 1 3 . 1 1 49 49 VAL N N 49 114.967 114.967 119.378 -4.411 18325
1249 1 3 . 1 1 49 49 VAL HA H 49 4.356 4.356 3.717 0.639 18325
1250 1 3 . 1 1 49 49 VAL C C 49 175.807 175.807 175.390 0.417 18325
1251 1 3 . 1 1 49 49 VAL CA C 49 62.064 62.064 63.362 -1.298 18325
1252 1 3 . 1 1 49 49 VAL CB C 49 31.110 31.110 32.046 -0.936 18325
1253 1 3 . 1 1 49 49 VAL H H 49 7.040 7.040 7.861 -0.821 18325
1254 1 3 . 1 1 50 50 ASN N N 50 119.765 119.765 117.317 2.448 18325
1255 1 3 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.846 0.288 18325
1256 1 3 . 1 1 50 50 ASN C C 50 176.473 176.473 173.871 2.602 18325
1257 1 3 . 1 1 50 50 ASN CA C 50 53.454 53.454 52.187 1.267 18325
1258 1 3 . 1 1 50 50 ASN CB C 50 40.815 40.815 40.718 0.097 18325
1259 1 3 . 1 1 50 50 ASN H H 50 7.364 7.364 7.709 -0.345 18325
1260 1 3 . 1 1 51 51 GLY N N 51 110.407 110.407 106.611 3.796 18325
1261 1 3 . 1 1 51 51 GLY C C 51 174.967 174.967 174.888 0.079 18325
1262 1 3 . 1 1 51 51 GLY CA C 51 47.543 47.543 44.094 3.449 18325
1263 1 3 . 1 1 51 51 GLY H H 51 8.546 8.546 8.287 0.259 18325
1264 1 3 . 1 1 52 52 GLY N N 52 106.482 106.482 111.061 -4.579 18325
1265 1 3 . 1 1 52 52 GLY C C 52 174.134 174.134 174.895 -0.761 18325
1266 1 3 . 1 1 52 52 GLY CA C 52 44.424 44.424 45.846 -1.423 18325
1267 1 3 . 1 1 52 52 GLY H H 52 8.810 8.810 8.426 0.384 18325
1268 1 3 . 1 1 53 53 ASN N N 53 119.129 119.129 125.201 -6.072 18325
1269 1 3 . 1 1 53 53 ASN HA H 53 4.738 4.738 4.680 0.058 18325
1270 1 3 . 1 1 53 53 ASN C C 53 174.828 174.828 174.815 0.013 18325
1271 1 3 . 1 1 53 53 ASN CA C 53 52.654 52.654 52.248 0.406 18325
1272 1 3 . 1 1 53 53 ASN CB C 53 40.237 40.237 38.694 1.543 18325
1273 1 3 . 1 1 53 53 ASN H H 53 7.330 7.330 8.305 -0.975 18325
1274 1 3 . 1 1 54 54 ARG N N 54 125.094 125.094 127.067 -1.973 18325
1275 1 3 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.378 -0.244 18325
1276 1 3 . 1 1 54 54 ARG C C 54 174.863 174.863 175.919 -1.056 18325
1277 1 3 . 1 1 54 54 ARG CA C 54 55.132 55.132 56.676 -1.544 18325
1278 1 3 . 1 1 54 54 ARG CB C 54 27.409 27.409 30.122 -2.712 18325
1279 1 3 . 1 1 54 54 ARG H H 54 8.826 8.826 8.498 0.328 18325
1280 1 3 . 1 1 55 55 THR N N 55 117.920 117.920 123.769 -5.849 18325
1281 1 3 . 1 1 55 55 THR HA H 55 4.020 4.020 4.296 -0.276 18325
1282 1 3 . 1 1 55 55 THR C C 55 172.459 172.459 174.973 -2.514 18325
1283 1 3 . 1 1 55 55 THR CA C 55 63.451 63.451 63.112 0.339 18325
1284 1 3 . 1 1 55 55 THR CB C 55 69.158 69.158 69.370 -0.212 18325
1285 1 3 . 1 1 55 55 THR H H 55 6.994 6.994 9.107 -2.113 18325
1286 1 3 . 1 1 56 56 VAL N N 56 117.300 117.300 126.654 -9.354 18325
1287 1 3 . 1 1 56 56 VAL HA H 56 4.735 4.735 3.994 0.741 18325
1288 1 3 . 1 1 56 56 VAL CA C 56 56.872 56.872 65.961 -9.089 18325
1289 1 3 . 1 1 56 56 VAL CB C 56 34.378 34.378 30.093 4.285 18325
1290 1 3 . 1 1 56 56 VAL H H 56 8.172 8.172 8.794 -0.622 18325
1291 1 3 . 1 1 57 57 PRO HA H 57 5.350 5.350 4.972 0.378 18325
1292 1 3 . 1 1 57 57 PRO C C 57 176.879 176.879 175.777 1.102 18325
1293 1 3 . 1 1 57 57 PRO CA C 57 62.246 62.246 62.061 0.185 18325
1294 1 3 . 1 1 57 57 PRO CB C 57 34.293 34.293 29.891 4.402 18325
1295 1 3 . 1 1 58 58 THR N N 58 120.440 120.440 119.350 1.090 18325
1296 1 3 . 1 1 58 58 THR HA H 58 5.042 5.042 4.961 0.081 18325
1297 1 3 . 1 1 58 58 THR C C 58 172.321 172.321 173.251 -0.930 18325
1298 1 3 . 1 1 58 58 THR CA C 58 63.449 63.449 62.375 1.074 18325
1299 1 3 . 1 1 58 58 THR CB C 58 71.892 71.892 70.528 1.364 18325
1300 1 3 . 1 1 58 58 THR H H 58 7.948 7.948 8.830 -0.882 18325
1301 1 3 . 1 1 59 59 VAL N N 59 126.444 126.444 127.288 -0.844 18325
1302 1 3 . 1 1 59 59 VAL HA H 59 5.095 5.095 5.070 0.025 18325
1303 1 3 . 1 1 59 59 VAL C C 59 173.176 173.176 173.364 -0.188 18325
1304 1 3 . 1 1 59 59 VAL CA C 59 60.133 60.133 59.363 0.770 18325
1305 1 3 . 1 1 59 59 VAL CB C 59 34.117 34.117 34.598 -0.481 18325
1306 1 3 . 1 1 59 59 VAL H H 59 9.428 9.428 9.025 0.403 18325
1307 1 3 . 1 1 60 60 LYS N N 60 126.183 126.183 128.780 -2.597 18325
1308 1 3 . 1 1 60 60 LYS HA H 60 5.379 5.379 5.430 -0.051 18325
1309 1 3 . 1 1 60 60 LYS C C 60 175.404 175.404 175.576 -0.172 18325
1310 1 3 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.643 -0.032 18325
1311 1 3 . 1 1 60 60 LYS CB C 60 37.601 37.601 35.223 2.378 18325
1312 1 3 . 1 1 60 60 LYS H H 60 9.214 9.214 8.906 0.308 18325
1313 1 3 . 1 1 61 61 PHE N N 61 126.709 126.709 123.991 2.718 18325
1314 1 3 . 1 1 61 61 PHE HA H 61 4.736 4.736 4.878 -0.142 18325
1315 1 3 . 1 1 61 61 PHE C C 61 178.102 178.102 177.689 0.413 18325
1316 1 3 . 1 1 61 61 PHE CA C 61 58.048 58.048 57.181 0.867 18325
1317 1 3 . 1 1 61 61 PHE CB C 61 41.221 41.221 40.671 0.550 18325
1318 1 3 . 1 1 61 61 PHE H H 61 9.069 9.069 9.406 -0.337 18325
1319 1 3 . 1 1 62 62 ALA N N 62 123.358 123.358 123.247 0.111 18325
1320 1 3 . 1 1 62 62 ALA HA H 62 4.134 4.134 4.113 0.021 18325
1321 1 3 . 1 1 62 62 ALA C C 62 177.754 177.754 177.879 -0.125 18325
1322 1 3 . 1 1 62 62 ALA CA C 62 54.940 54.940 54.498 0.442 18325
1323 1 3 . 1 1 62 62 ALA CB C 62 19.243 19.243 18.351 0.892 18325
1324 1 3 . 1 1 62 62 ALA H H 62 9.728 9.728 8.916 0.812 18325
1325 1 3 . 1 1 63 63 ASP N N 63 113.412 113.412 116.464 -3.052 18325
1326 1 3 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.622 -0.036 18325
1327 1 3 . 1 1 63 63 ASP C C 63 177.032 177.032 177.494 -0.462 18325
1328 1 3 . 1 1 63 63 ASP CA C 63 53.141 53.141 54.863 -1.722 18325
1329 1 3 . 1 1 63 63 ASP CB C 63 40.040 40.040 40.901 -0.861 18325
1330 1 3 . 1 1 63 63 ASP H H 63 7.675 7.675 8.376 -0.701 18325
1331 1 3 . 1 1 64 64 GLY N N 64 109.285 109.285 108.091 1.194 18325
1332 1 3 . 1 1 64 64 GLY C C 64 173.680 173.680 173.673 0.007 18325
1333 1 3 . 1 1 64 64 GLY CA C 64 45.328 45.328 45.172 0.156 18325
1334 1 3 . 1 1 64 64 GLY H H 64 8.361 8.361 8.065 0.296 18325
1335 1 3 . 1 1 65 65 SER N N 65 117.733 117.733 115.024 2.709 18325
1336 1 3 . 1 1 65 65 SER HA H 65 4.567 4.567 4.590 -0.023 18325
1337 1 3 . 1 1 65 65 SER C C 65 173.595 173.595 174.021 -0.426 18325
1338 1 3 . 1 1 65 65 SER CA C 65 58.964 58.964 58.244 0.720 18325
1339 1 3 . 1 1 65 65 SER CB C 65 64.637 64.637 64.028 0.609 18325
1340 1 3 . 1 1 65 65 SER H H 65 8.287 8.287 7.855 0.432 18325
1341 1 3 . 1 1 66 66 THR N N 66 106.725 106.725 114.430 -7.705 18325
1342 1 3 . 1 1 66 66 THR HA H 66 6.250 6.250 5.604 0.646 18325
1343 1 3 . 1 1 66 66 THR C C 66 175.730 175.730 174.432 1.298 18325
1344 1 3 . 1 1 66 66 THR CA C 66 59.494 59.494 60.650 -1.156 18325
1345 1 3 . 1 1 66 66 THR CB C 66 73.049 73.049 71.323 1.726 18325
1346 1 3 . 1 1 66 66 THR H H 66 8.221 8.221 8.212 0.009 18325
1347 1 3 . 1 1 67 67 LEU N N 67 117.517 117.517 126.441 -8.924 18325
1348 1 3 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.780 0.088 18325
1349 1 3 . 1 1 67 67 LEU C C 67 176.030 176.030 175.968 0.062 18325
1350 1 3 . 1 1 67 67 LEU CA C 67 54.768 54.768 54.208 0.560 18325
1351 1 3 . 1 1 67 67 LEU CB C 67 47.406 47.406 44.597 2.809 18325
1352 1 3 . 1 1 67 67 LEU H H 67 8.763 8.763 9.342 -0.579 18325
1353 1 3 . 1 1 68 68 THR N N 68 120.988 120.988 121.662 -0.674 18325
1354 1 3 . 1 1 68 68 THR HA H 68 4.616 4.616 4.597 0.019 18325
1355 1 3 . 1 1 68 68 THR C C 68 173.201 173.201 173.848 -0.647 18325
1356 1 3 . 1 1 68 68 THR CA C 68 62.802 62.802 62.321 0.481 18325
1357 1 3 . 1 1 68 68 THR CB C 68 69.226 69.226 69.135 0.091 18325
1358 1 3 . 1 1 68 68 THR H H 68 9.226 9.226 8.687 0.539 18325
1359 1 3 . 1 1 69 69 ASN N N 69 122.679 122.679 122.100 0.579 18325
1360 1 3 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.596 -0.306 18325
1361 1 3 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.626 0.840 18325
1362 1 3 . 1 1 69 69 ASN CB C 69 38.731 38.731 37.341 1.390 18325
1363 1 3 . 1 1 69 69 ASN H H 69 9.097 9.097 8.320 0.777 18325
1364 1 3 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.700 0.169 18325
1365 1 3 . 1 1 70 70 PRO C C 70 177.239 177.239 175.729 1.510 18325
1366 1 3 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.629 0.428 18325
1367 1 3 . 1 1 70 70 PRO CB C 70 32.153 32.153 32.707 -0.554 18325
1368 1 3 . 1 1 71 71 SER N N 71 115.373 115.373 113.854 1.519 18325
1369 1 3 . 1 1 71 71 SER HA H 71 4.620 4.620 4.720 -0.100 18325
1370 1 3 . 1 1 71 71 SER C C 71 175.966 175.966 175.168 0.798 18325
1371 1 3 . 1 1 71 71 SER CA C 71 56.624 56.624 57.480 -0.856 18325
1372 1 3 . 1 1 71 71 SER CB C 71 65.562 65.562 65.469 0.093 18325
1373 1 3 . 1 1 71 71 SER H H 71 8.932 8.932 8.127 0.805 18325
1374 1 3 . 1 1 72 72 ALA N N 72 124.008 124.008 126.070 -2.062 18325
1375 1 3 . 1 1 72 72 ALA HA H 72 3.763 3.763 4.107 -0.344 18325
1376 1 3 . 1 1 72 72 ALA C C 72 179.550 179.550 179.030 0.520 18325
1377 1 3 . 1 1 72 72 ALA CA C 72 55.970 55.970 55.088 0.882 18325
1378 1 3 . 1 1 72 72 ALA CB C 72 17.873 17.873 18.096 -0.223 18325
1379 1 3 . 1 1 72 72 ALA H H 72 9.235 9.235 8.720 0.515 18325
1380 1 3 . 1 1 73 73 ASP N N 73 116.584 116.584 115.605 0.979 18325
1381 1 3 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.339 -0.009 18325
1382 1 3 . 1 1 73 73 ASP C C 73 179.219 179.219 178.254 0.965 18325
1383 1 3 . 1 1 73 73 ASP CA C 73 57.583 57.583 57.016 0.567 18325
1384 1 3 . 1 1 73 73 ASP CB C 73 40.300 40.300 39.620 0.680 18325
1385 1 3 . 1 1 73 73 ASP H H 73 8.277 8.277 8.815 -0.538 18325
1386 1 3 . 1 1 74 74 GLU N N 74 122.057 122.057 120.332 1.725 18325
1387 1 3 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.223 -0.208 18325
1388 1 3 . 1 1 74 74 GLU C C 74 180.045 180.045 179.183 0.862 18325
1389 1 3 . 1 1 74 74 GLU CA C 74 59.199 59.199 58.708 0.491 18325
1390 1 3 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.560 0.514 18325
1391 1 3 . 1 1 74 74 GLU H H 74 7.925 7.925 7.725 0.200 18325
1392 1 3 . 1 1 75 75 VAL N N 75 120.141 120.141 120.445 -0.304 18325
1393 1 3 . 1 1 75 75 VAL HA H 75 3.681 3.681 3.968 -0.287 18325
1394 1 3 . 1 1 75 75 VAL C C 75 177.008 177.008 178.315 -1.307 18325
1395 1 3 . 1 1 75 75 VAL CA C 75 67.172 67.172 66.551 0.621 18325
1396 1 3 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.132 0.105 18325
1397 1 3 . 1 1 75 75 VAL H H 75 7.885 7.885 7.989 -0.104 18325
1398 1 3 . 1 1 76 76 LYS N N 76 118.715 118.715 120.101 -1.386 18325
1399 1 3 . 1 1 76 76 LYS HA H 76 3.827 3.827 3.919 -0.092 18325
1400 1 3 . 1 1 76 76 LYS C C 76 178.105 178.105 178.656 -0.551 18325
1401 1 3 . 1 1 76 76 LYS CA C 76 60.397 60.397 60.154 0.242 18325
1402 1 3 . 1 1 76 76 LYS CB C 76 32.405 32.405 32.372 0.033 18325
1403 1 3 . 1 1 76 76 LYS H H 76 8.298 8.298 8.504 -0.206 18325
1404 1 3 . 1 1 77 77 ALA N N 77 118.993 118.993 121.313 -2.320 18325
1405 1 3 . 1 1 77 77 ALA HA H 77 4.031 4.031 4.142 -0.111 18325
1406 1 3 . 1 1 77 77 ALA C C 77 180.450 180.450 180.080 0.370 18325
1407 1 3 . 1 1 77 77 ALA CA C 77 54.820 54.820 55.138 -0.318 18325
1408 1 3 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.391 -0.191 18325
1409 1 3 . 1 1 77 77 ALA H H 77 7.985 7.985 7.658 0.327 18325
1410 1 3 . 1 1 78 78 LYS N N 78 119.952 119.952 117.715 2.237 18325
1411 1 3 . 1 1 78 78 LYS HA H 78 3.975 3.975 4.137 -0.162 18325
1412 1 3 . 1 1 78 78 LYS C C 78 177.949 177.949 178.915 -0.966 18325
1413 1 3 . 1 1 78 78 LYS CA C 78 58.079 58.079 57.635 0.444 18325
1414 1 3 . 1 1 78 78 LYS CB C 78 31.342 31.342 32.066 -0.724 18325
1415 1 3 . 1 1 78 78 LYS H H 78 7.480 7.480 8.356 -0.876 18325
1416 1 3 . 1 1 79 79 LEU N N 79 118.729 118.729 121.697 -2.968 18325
1417 1 3 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.351 -0.315 18325
1418 1 3 . 1 1 79 79 LEU C C 79 180.234 180.234 178.379 1.855 18325
1419 1 3 . 1 1 79 79 LEU CA C 79 58.096 58.096 57.958 0.138 18325
1420 1 3 . 1 1 79 79 LEU CB C 79 41.776 41.776 42.176 -0.400 18325
1421 1 3 . 1 1 79 79 LEU H H 79 8.075 8.075 7.935 0.140 18325
1422 1 3 . 1 1 80 80 VAL N N 80 118.567 118.567 113.948 4.619 18325
1423 1 3 . 1 1 80 80 VAL HA H 80 3.733 3.733 3.631 0.102 18325
1424 1 3 . 1 1 80 80 VAL C C 80 178.390 178.390 177.614 0.776 18325
1425 1 3 . 1 1 80 80 VAL CA C 80 65.895 65.895 66.029 -0.134 18325
1426 1 3 . 1 1 80 80 VAL CB C 80 31.961 31.961 31.288 0.673 18325
1427 1 3 . 1 1 80 80 VAL H H 80 7.867 7.867 8.032 -0.165 18325
1428 1 3 . 1 1 81 81 LYS N N 81 121.106 121.106 117.835 3.271 18325
1429 1 3 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.148 -0.056 18325
1430 1 3 . 1 1 81 81 LYS C C 81 179.434 179.434 178.069 1.365 18325
1431 1 3 . 1 1 81 81 LYS CA C 81 58.943 58.943 58.745 0.199 18325
1432 1 3 . 1 1 81 81 LYS CB C 81 32.497 32.497 32.521 -0.024 18325
1433 1 3 . 1 1 81 81 LYS H H 81 7.565 7.565 7.675 -0.110 18325
1434 1 3 . 1 1 82 82 ILE N N 82 117.365 117.365 114.906 2.459 18325
1435 1 3 . 1 1 82 82 ILE HA H 82 3.953 3.953 4.234 -0.281 18325
1436 1 3 . 1 1 82 82 ILE C C 82 177.482 177.482 177.043 0.439 18325
1437 1 3 . 1 1 82 82 ILE CA C 82 63.598 63.598 62.412 1.186 18325
1438 1 3 . 1 1 82 82 ILE CB C 82 38.372 38.372 37.781 0.591 18325
1439 1 3 . 1 1 82 82 ILE H H 82 8.124 8.124 7.340 0.784 18325
1440 1 3 . 1 1 83 83 ALA N N 83 123.334 123.334 120.565 2.769 18325
1441 1 3 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.372 -0.093 18325
1442 1 3 . 1 1 83 83 ALA C C 83 179.104 179.104 178.085 1.019 18325
1443 1 3 . 1 1 83 83 ALA CA C 83 53.851 53.851 52.899 0.952 18325
1444 1 3 . 1 1 83 83 ALA CB C 83 18.769 18.769 19.657 -0.888 18325
1445 1 3 . 1 1 83 83 ALA H H 83 7.867 7.867 7.785 0.082 18325
1446 1 3 . 1 1 84 84 GLY N N 84 105.962 105.962 106.800 -0.838 18325
1447 1 3 . 1 1 84 84 GLY C C 84 174.779 174.779 173.648 1.131 18325
1448 1 3 . 1 1 84 84 GLY CA C 84 45.847 45.847 44.378 1.469 18325
1449 1 3 . 1 1 84 84 GLY H H 84 8.019 8.019 7.508 0.511 18325
1450 1 3 . 1 1 85 85 LEU N N 85 120.702 120.702 123.565 -2.863 18325
1451 1 3 . 1 1 85 85 LEU HA H 85 4.275 4.275 4.434 -0.159 18325
1452 1 3 . 1 1 85 85 LEU C C 85 177.609 177.609 176.418 1.191 18325
1453 1 3 . 1 1 85 85 LEU CA C 85 55.511 55.511 54.412 1.099 18325
1454 1 3 . 1 1 85 85 LEU CB C 85 42.449 42.449 40.253 2.196 18325
1455 1 3 . 1 1 85 85 LEU H H 85 7.727 7.727 8.566 -0.839 18325
1456 1 3 . 1 1 86 86 GLU N N 86 120.386 120.386 122.112 -1.726 18325
1457 1 3 . 1 1 86 86 GLU HA H 86 4.154 4.154 4.396 -0.242 18325
1458 1 3 . 1 1 86 86 GLU C C 86 176.359 176.359 177.024 -0.665 18325
1459 1 3 . 1 1 86 86 GLU CA C 86 56.941 56.941 57.058 -0.117 18325
1460 1 3 . 1 1 86 86 GLU CB C 86 30.180 30.180 31.130 -0.950 18325
1461 1 3 . 1 1 86 86 GLU H H 86 8.238 8.238 7.937 0.301 18325
1462 1 3 . 1 1 87 87 HIS N N 87 119.393 119.393 119.940 -0.547 18325
1463 1 3 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.775 -0.185 18325
1464 1 3 . 1 1 87 87 HIS C C 87 174.000 174.000 175.278 -1.278 18325
1465 1 3 . 1 1 87 87 HIS CA C 87 56.146 56.146 56.079 0.067 18325
1466 1 3 . 1 1 87 87 HIS CB C 87 30.335 30.335 28.389 1.946 18325
1467 1 3 . 1 1 87 87 HIS H H 87 8.177 8.177 8.566 -0.389 18325
1468 1 4 . 1 1 2 2 VAL HA H 2 4.195 4.195 4.379 -0.184 18325
1469 1 4 . 1 1 2 2 VAL C C 2 175.805 175.805 174.668 1.137 18325
1470 1 4 . 1 1 2 2 VAL CA C 2 62.388 62.388 60.984 1.404 18325
1471 1 4 . 1 1 2 2 VAL CB C 2 32.777 32.777 34.517 -1.740 18325
1472 1 4 . 1 1 3 3 THR N N 3 119.229 119.229 118.652 0.577 18325
1473 1 4 . 1 1 3 3 THR HA H 3 4.259 4.259 4.346 -0.087 18325
1474 1 4 . 1 1 3 3 THR C C 3 173.761 173.761 173.469 0.292 18325
1475 1 4 . 1 1 3 3 THR CA C 3 61.673 61.673 61.811 -0.138 18325
1476 1 4 . 1 1 3 3 THR CB C 3 69.846 69.846 68.188 1.658 18325
1477 1 4 . 1 1 3 3 THR H H 3 8.256 8.256 8.304 -0.048 18325
1478 1 4 . 1 1 4 4 ALA N N 4 126.635 126.635 128.757 -2.122 18325
1479 1 4 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.671 -0.517 18325
1480 1 4 . 1 1 4 4 ALA C C 4 177.002 177.002 176.042 0.960 18325
1481 1 4 . 1 1 4 4 ALA CA C 4 52.159 52.159 51.391 0.768 18325
1482 1 4 . 1 1 4 4 ALA CB C 4 19.512 19.512 20.759 -1.247 18325
1483 1 4 . 1 1 4 4 ALA H H 4 8.367 8.367 8.125 0.242 18325
1484 1 4 . 1 1 5 5 ALA N N 5 123.621 123.621 126.478 -2.857 18325
1485 1 4 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.443 -0.176 18325
1486 1 4 . 1 1 5 5 ALA C C 5 176.288 176.288 176.194 0.094 18325
1487 1 4 . 1 1 5 5 ALA CA C 5 52.894 52.894 51.789 1.105 18325
1488 1 4 . 1 1 5 5 ALA CB C 5 19.494 19.494 20.008 -0.514 18325
1489 1 4 . 1 1 5 5 ALA H H 5 8.374 8.374 8.814 -0.440 18325
1490 1 4 . 1 1 6 6 LEU N N 6 115.731 115.731 120.747 -5.016 18325
1491 1 4 . 1 1 6 6 LEU HA H 6 4.648 4.648 4.537 0.111 18325
1492 1 4 . 1 1 6 6 LEU C C 6 175.007 175.007 174.523 0.484 18325
1493 1 4 . 1 1 6 6 LEU CA C 6 54.263 54.263 54.383 -0.120 18325
1494 1 4 . 1 1 6 6 LEU CB C 6 44.224 44.224 45.509 -1.285 18325
1495 1 4 . 1 1 6 6 LEU H H 6 7.478 7.478 7.331 0.147 18325
1496 1 4 . 1 1 7 7 THR N N 7 119.383 119.383 123.603 -4.220 18325
1497 1 4 . 1 1 7 7 THR HA H 7 4.906 4.906 5.051 -0.145 18325
1498 1 4 . 1 1 7 7 THR C C 7 172.657 172.657 173.297 -0.640 18325
1499 1 4 . 1 1 7 7 THR CA C 7 61.586 61.586 61.898 -0.312 18325
1500 1 4 . 1 1 7 7 THR CB C 7 70.917 70.917 69.352 1.565 18325
1501 1 4 . 1 1 7 7 THR H H 7 8.342 8.342 8.243 0.099 18325
1502 1 4 . 1 1 8 8 ILE N N 8 124.711 124.711 126.079 -1.368 18325
1503 1 4 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.644 -0.069 18325
1504 1 4 . 1 1 8 8 ILE C C 8 172.650 172.650 174.243 -1.593 18325
1505 1 4 . 1 1 8 8 ILE CA C 8 59.206 59.206 59.475 -0.269 18325
1506 1 4 . 1 1 8 8 ILE CB C 8 40.150 40.150 41.909 -1.759 18325
1507 1 4 . 1 1 8 8 ILE H H 8 9.050 9.050 8.910 0.140 18325
1508 1 4 . 1 1 9 9 TYR N N 9 128.517 128.517 125.080 3.437 18325
1509 1 4 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.674 0.751 18325
1510 1 4 . 1 1 9 9 TYR C C 9 176.445 176.445 174.907 1.538 18325
1511 1 4 . 1 1 9 9 TYR CA C 9 57.397 57.397 57.860 -0.463 18325
1512 1 4 . 1 1 9 9 TYR CB C 9 39.232 39.232 39.236 -0.004 18325
1513 1 4 . 1 1 9 9 TYR H H 9 9.094 9.094 8.958 0.136 18325
1514 1 4 . 1 1 10 10 THR N N 10 112.214 112.214 113.662 -1.448 18325
1515 1 4 . 1 1 10 10 THR HA H 10 4.778 4.778 4.625 0.153 18325
1516 1 4 . 1 1 10 10 THR C C 10 173.410 173.410 173.188 0.222 18325
1517 1 4 . 1 1 10 10 THR CA C 10 59.893 59.893 60.457 -0.564 18325
1518 1 4 . 1 1 10 10 THR CB C 10 72.063 72.063 71.059 1.004 18325
1519 1 4 . 1 1 10 10 THR H H 10 8.824 8.824 8.118 0.706 18325
1520 1 4 . 1 1 11 11 THR N N 11 103.866 103.866 112.499 -8.633 18325
1521 1 4 . 1 1 11 11 THR HA H 11 4.585 4.585 4.413 0.172 18325
1522 1 4 . 1 1 11 11 THR C C 11 176.335 176.335 174.202 2.133 18325
1523 1 4 . 1 1 11 11 THR CA C 11 60.389 60.389 61.058 -0.669 18325
1524 1 4 . 1 1 11 11 THR CB C 11 72.584 72.584 71.690 0.894 18325
1525 1 4 . 1 1 11 11 THR H H 11 6.667 6.667 7.761 -1.094 18325
1526 1 4 . 1 1 12 12 SER N N 12 116.991 116.991 119.376 -2.385 18325
1527 1 4 . 1 1 12 12 SER HA H 12 4.134 4.134 4.359 -0.225 18325
1528 1 4 . 1 1 12 12 SER C C 12 174.863 174.863 175.333 -0.470 18325
1529 1 4 . 1 1 12 12 SER CA C 12 61.183 61.183 61.754 -0.571 18325
1530 1 4 . 1 1 12 12 SER CB C 12 62.845 62.845 63.675 -0.830 18325
1531 1 4 . 1 1 12 12 SER H H 12 9.561 9.561 9.337 0.224 18325
1532 1 4 . 1 1 13 13 TRP N N 13 117.675 117.675 119.806 -2.131 18325
1533 1 4 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.796 -0.021 18325
1534 1 4 . 1 1 13 13 TRP C C 13 175.144 175.144 174.947 0.197 18325
1535 1 4 . 1 1 13 13 TRP CA C 13 54.555 54.555 56.194 -1.639 18325
1536 1 4 . 1 1 13 13 TRP CB C 13 28.292 28.292 28.381 -0.089 18325
1537 1 4 . 1 1 13 13 TRP H H 13 6.996 6.996 7.184 -0.188 18325
1538 1 4 . 1 1 14 14 CYS N N 14 120.513 120.513 126.718 -6.205 18325
1539 1 4 . 1 1 14 14 CYS HA H 14 4.498 4.498 4.668 -0.170 18325
1540 1 4 . 1 1 14 14 CYS CA C 14 53.859 53.859 58.677 -4.818 18325
1541 1 4 . 1 1 14 14 CYS CB C 14 44.419 44.419 30.353 14.066 18325
1542 1 4 . 1 1 14 14 CYS H H 14 6.755 6.755 8.186 -1.431 18325
1543 1 4 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.378 -0.001 18325
1544 1 4 . 1 1 16 16 TYR C C 16 177.495 177.495 177.035 0.460 18325
1545 1 4 . 1 1 16 16 TYR CA C 16 60.662 60.662 60.770 -0.108 18325
1546 1 4 . 1 1 16 16 TYR CB C 16 37.852 37.852 38.571 -0.719 18325
1547 1 4 . 1 1 17 17 CYS N N 17 114.160 114.160 117.493 -3.333 18325
1548 1 4 . 1 1 17 17 CYS HA H 17 3.923 3.923 4.120 -0.197 18325
1549 1 4 . 1 1 17 17 CYS C C 17 174.680 174.680 176.452 -1.772 18325
1550 1 4 . 1 1 17 17 CYS CA C 17 65.302 65.302 62.219 3.083 18325
1551 1 4 . 1 1 17 17 CYS CB C 17 33.986 33.986 26.324 7.662 18325
1552 1 4 . 1 1 17 17 CYS H H 17 8.495 8.495 7.956 0.539 18325
1553 1 4 . 1 1 18 18 LEU N N 18 119.295 119.295 120.873 -1.578 18325
1554 1 4 . 1 1 18 18 LEU HA H 18 4.031 4.031 4.031 0.000 18325
1555 1 4 . 1 1 18 18 LEU C C 18 179.001 179.001 179.061 -0.060 18325
1556 1 4 . 1 1 18 18 LEU CA C 18 58.234 58.234 57.442 0.792 18325
1557 1 4 . 1 1 18 18 LEU CB C 18 41.205 41.205 41.182 0.023 18325
1558 1 4 . 1 1 18 18 LEU H H 18 7.311 7.311 7.715 -0.404 18325
1559 1 4 . 1 1 19 19 ARG N N 19 119.771 119.771 120.230 -0.459 18325
1560 1 4 . 1 1 19 19 ARG HA H 19 3.998 3.998 3.934 0.064 18325
1561 1 4 . 1 1 19 19 ARG C C 19 178.949 178.949 178.410 0.539 18325
1562 1 4 . 1 1 19 19 ARG CA C 19 59.597 59.597 59.028 0.569 18325
1563 1 4 . 1 1 19 19 ARG CB C 19 30.006 30.006 29.419 0.587 18325
1564 1 4 . 1 1 19 19 ARG H H 19 7.469 7.469 7.383 0.086 18325
1565 1 4 . 1 1 20 20 LEU N N 20 120.802 120.802 118.374 2.428 18325
1566 1 4 . 1 1 20 20 LEU HA H 20 4.097 4.097 4.117 -0.020 18325
1567 1 4 . 1 1 20 20 LEU C C 20 177.928 177.928 177.955 -0.027 18325
1568 1 4 . 1 1 20 20 LEU CA C 20 57.757 57.757 57.393 0.364 18325
1569 1 4 . 1 1 20 20 LEU CB C 20 40.940 40.940 41.686 -0.746 18325
1570 1 4 . 1 1 20 20 LEU H H 20 8.150 8.150 7.383 0.767 18325
1571 1 4 . 1 1 21 21 LYS N N 21 117.910 117.910 119.630 -1.720 18325
1572 1 4 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.603 -0.323 18325
1573 1 4 . 1 1 21 21 LYS C C 21 178.851 178.851 179.083 -0.232 18325
1574 1 4 . 1 1 21 21 LYS CA C 21 61.353 61.353 60.303 1.050 18325
1575 1 4 . 1 1 21 21 LYS CB C 21 31.698 31.698 32.041 -0.343 18325
1576 1 4 . 1 1 21 21 LYS H H 21 7.854 7.854 8.198 -0.344 18325
1577 1 4 . 1 1 22 22 THR N N 22 115.451 115.451 114.608 0.843 18325
1578 1 4 . 1 1 22 22 THR HA H 22 3.889 3.889 4.072 -0.183 18325
1579 1 4 . 1 1 22 22 THR C C 22 176.571 176.571 176.172 0.399 18325
1580 1 4 . 1 1 22 22 THR CA C 22 66.849 66.849 66.593 0.256 18325
1581 1 4 . 1 1 22 22 THR CB C 22 68.793 68.793 68.429 0.364 18325
1582 1 4 . 1 1 22 22 THR H H 22 8.125 8.125 8.305 -0.180 18325
1583 1 4 . 1 1 23 23 ALA N N 23 125.218 125.218 124.131 1.087 18325
1584 1 4 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.128 0.146 18325
1585 1 4 . 1 1 23 23 ALA C C 23 180.948 180.948 179.729 1.219 18325
1586 1 4 . 1 1 23 23 ALA CA C 23 55.003 55.003 54.868 0.135 18325
1587 1 4 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.184 0.658 18325
1588 1 4 . 1 1 23 23 ALA H H 23 7.892 7.892 7.338 0.554 18325
1589 1 4 . 1 1 24 24 LEU N N 24 120.007 120.007 117.874 2.133 18325
1590 1 4 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.982 0.036 18325
1591 1 4 . 1 1 24 24 LEU C C 24 179.738 179.738 179.557 0.181 18325
1592 1 4 . 1 1 24 24 LEU CA C 24 58.807 58.807 57.591 1.216 18325
1593 1 4 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.878 -2.064 18325
1594 1 4 . 1 1 24 24 LEU H H 24 8.775 8.775 8.378 0.397 18325
1595 1 4 . 1 1 25 25 THR N N 25 118.777 118.777 114.434 4.343 18325
1596 1 4 . 1 1 25 25 THR HA H 25 4.175 4.175 4.182 -0.007 18325
1597 1 4 . 1 1 25 25 THR C C 25 178.539 178.539 176.688 1.851 18325
1598 1 4 . 1 1 25 25 THR CA C 25 67.138 67.138 65.970 1.168 18325
1599 1 4 . 1 1 25 25 THR CB C 25 68.679 68.679 68.876 -0.197 18325
1600 1 4 . 1 1 25 25 THR H H 25 8.636 8.636 8.331 0.305 18325
1601 1 4 . 1 1 26 26 ALA N N 26 126.122 126.122 123.397 2.725 18325
1602 1 4 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.361 -0.173 18325
1603 1 4 . 1 1 26 26 ALA C C 26 178.536 178.536 177.693 0.843 18325
1604 1 4 . 1 1 26 26 ALA CA C 26 55.134 55.134 53.824 1.310 18325
1605 1 4 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.334 -0.447 18325
1606 1 4 . 1 1 26 26 ALA H H 26 8.357 8.357 7.830 0.527 18325
1607 1 4 . 1 1 27 27 ASN N N 27 114.755 114.755 116.370 -1.615 18325
1608 1 4 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.883 -0.186 18325
1609 1 4 . 1 1 27 27 ASN C C 27 172.751 172.751 174.388 -1.637 18325
1610 1 4 . 1 1 27 27 ASN CA C 27 53.712 53.712 52.683 1.029 18325
1611 1 4 . 1 1 27 27 ASN CB C 27 40.648 40.648 40.029 0.619 18325
1612 1 4 . 1 1 27 27 ASN H H 27 7.456 7.456 7.743 -0.287 18325
1613 1 4 . 1 1 28 28 ARG N N 28 115.444 115.444 118.949 -3.505 18325
1614 1 4 . 1 1 28 28 ARG HA H 28 3.934 3.934 3.919 0.015 18325
1615 1 4 . 1 1 28 28 ARG C C 28 175.075 175.075 173.424 1.651 18325
1616 1 4 . 1 1 28 28 ARG CA C 28 57.091 57.091 57.245 -0.153 18325
1617 1 4 . 1 1 28 28 ARG CB C 28 26.393 26.393 27.777 -1.385 18325
1618 1 4 . 1 1 28 28 ARG H H 28 8.183 8.183 7.483 0.700 18325
1619 1 4 . 1 1 29 29 ILE N N 29 120.976 120.976 119.361 1.615 18325
1620 1 4 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.351 -0.272 18325
1621 1 4 . 1 1 29 29 ILE C C 29 175.050 175.050 174.411 0.639 18325
1622 1 4 . 1 1 29 29 ILE CA C 29 60.664 60.664 60.065 0.599 18325
1623 1 4 . 1 1 29 29 ILE CB C 29 38.695 38.695 39.791 -1.096 18325
1624 1 4 . 1 1 29 29 ILE H H 29 8.004 8.004 7.944 0.060 18325
1625 1 4 . 1 1 30 30 ALA N N 30 131.099 131.099 131.932 -0.833 18325
1626 1 4 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.389 -0.221 18325
1627 1 4 . 1 1 30 30 ALA C C 30 176.360 176.360 176.071 0.289 18325
1628 1 4 . 1 1 30 30 ALA CA C 30 51.819 51.819 51.169 0.650 18325
1629 1 4 . 1 1 30 30 ALA CB C 30 19.641 19.641 19.330 0.311 18325
1630 1 4 . 1 1 30 30 ALA H H 30 8.329 8.329 8.584 -0.255 18325
1631 1 4 . 1 1 31 31 TYR N N 31 114.363 114.363 120.747 -6.384 18325
1632 1 4 . 1 1 31 31 TYR HA H 31 5.133 5.133 5.077 0.056 18325
1633 1 4 . 1 1 31 31 TYR C C 31 173.470 173.470 174.095 -0.625 18325
1634 1 4 . 1 1 31 31 TYR CA C 31 55.522 55.522 54.587 0.935 18325
1635 1 4 . 1 1 31 31 TYR CB C 31 41.184 41.184 40.377 0.807 18325
1636 1 4 . 1 1 31 31 TYR H H 31 7.509 7.509 7.618 -0.109 18325
1637 1 4 . 1 1 32 32 ASP N N 32 120.754 120.754 122.520 -1.766 18325
1638 1 4 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.912 0.014 18325
1639 1 4 . 1 1 32 32 ASP C C 32 174.611 174.611 175.110 -0.499 18325
1640 1 4 . 1 1 32 32 ASP CA C 32 52.875 52.875 52.232 0.643 18325
1641 1 4 . 1 1 32 32 ASP CB C 32 42.843 42.843 43.487 -0.644 18325
1642 1 4 . 1 1 32 32 ASP H H 32 8.517 8.517 8.907 -0.390 18325
1643 1 4 . 1 1 33 33 GLU N N 33 124.650 124.650 123.467 1.183 18325
1644 1 4 . 1 1 33 33 GLU HA H 33 5.205 5.205 5.154 0.051 18325
1645 1 4 . 1 1 33 33 GLU C C 33 175.049 175.049 175.740 -0.691 18325
1646 1 4 . 1 1 33 33 GLU CA C 33 54.489 54.489 54.717 -0.228 18325
1647 1 4 . 1 1 33 33 GLU CB C 33 32.425 32.425 31.536 0.889 18325
1648 1 4 . 1 1 33 33 GLU H H 33 8.836 8.836 8.542 0.294 18325
1649 1 4 . 1 1 34 34 VAL N N 34 128.112 128.112 121.807 6.305 18325
1650 1 4 . 1 1 34 34 VAL HA H 34 4.062 4.062 4.191 -0.129 18325
1651 1 4 . 1 1 34 34 VAL C C 34 173.620 173.620 176.751 -3.131 18325
1652 1 4 . 1 1 34 34 VAL CA C 34 61.427 61.427 61.221 0.206 18325
1653 1 4 . 1 1 34 34 VAL CB C 34 34.690 34.690 33.445 1.245 18325
1654 1 4 . 1 1 34 34 VAL H H 34 8.615 8.615 8.515 0.100 18325
1655 1 4 . 1 1 35 35 ASP N N 35 127.319 127.319 125.592 1.727 18325
1656 1 4 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.317 0.620 18325
1657 1 4 . 1 1 35 35 ASP C C 35 179.260 179.260 177.933 1.327 18325
1658 1 4 . 1 1 35 35 ASP CA C 35 61.428 61.428 57.324 4.104 18325
1659 1 4 . 1 1 35 35 ASP CB C 35 41.858 41.858 40.519 1.339 18325
1660 1 4 . 1 1 35 35 ASP H H 35 8.458 8.458 8.949 -0.491 18325
1661 1 4 . 1 1 36 36 ILE N N 36 119.537 119.537 115.557 3.980 18325
1662 1 4 . 1 1 36 36 ILE HA H 36 4.360 4.360 4.094 0.266 18325
1663 1 4 . 1 1 36 36 ILE C C 36 176.943 176.943 176.779 0.164 18325
1664 1 4 . 1 1 36 36 ILE CA C 36 63.681 63.681 63.251 0.430 18325
1665 1 4 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.157 0.479 18325
1666 1 4 . 1 1 36 36 ILE H H 36 8.833 8.833 7.835 0.998 18325
1667 1 4 . 1 1 37 37 GLU N N 37 122.074 122.074 118.856 3.218 18325
1668 1 4 . 1 1 37 37 GLU HA H 37 4.131 4.131 3.848 0.283 18325
1669 1 4 . 1 1 37 37 GLU C C 37 177.224 177.224 177.674 -0.450 18325
1670 1 4 . 1 1 37 37 GLU CA C 37 58.503 58.503 59.218 -0.715 18325
1671 1 4 . 1 1 37 37 GLU CB C 37 29.312 29.312 29.719 -0.407 18325
1672 1 4 . 1 1 37 37 GLU H H 37 8.815 8.815 8.219 0.596 18325
1673 1 4 . 1 1 38 38 HIS N N 38 114.611 114.611 116.069 -1.458 18325
1674 1 4 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.752 0.094 18325
1675 1 4 . 1 1 38 38 HIS C C 38 174.168 174.168 175.316 -1.148 18325
1676 1 4 . 1 1 38 38 HIS CA C 38 55.189 55.189 56.169 -0.980 18325
1677 1 4 . 1 1 38 38 HIS CB C 38 30.936 30.936 31.951 -1.014 18325
1678 1 4 . 1 1 38 38 HIS H H 38 7.661 7.661 8.046 -0.385 18325
1679 1 4 . 1 1 39 39 ASN N N 39 117.944 117.944 119.782 -1.838 18325
1680 1 4 . 1 1 39 39 ASN HA H 39 4.900 4.900 4.598 0.302 18325
1681 1 4 . 1 1 39 39 ASN C C 39 173.626 173.626 175.948 -2.322 18325
1682 1 4 . 1 1 39 39 ASN CA C 39 52.634 52.634 52.155 0.479 18325
1683 1 4 . 1 1 39 39 ASN CB C 39 39.436 39.436 38.352 1.084 18325
1684 1 4 . 1 1 39 39 ASN H H 39 7.095 7.095 8.225 -1.130 18325
1685 1 4 . 1 1 40 40 ARG N N 40 126.603 126.603 127.062 -0.459 18325
1686 1 4 . 1 1 40 40 ARG HA H 40 4.142 4.142 4.158 -0.016 18325
1687 1 4 . 1 1 40 40 ARG C C 40 178.292 178.292 177.146 1.146 18325
1688 1 4 . 1 1 40 40 ARG CA C 40 59.371 59.371 58.815 0.556 18325
1689 1 4 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.750 0.169 18325
1690 1 4 . 1 1 40 40 ARG H H 40 8.750 8.750 8.120 0.630 18325
1691 1 4 . 1 1 41 41 ALA N N 41 122.148 122.148 122.406 -0.258 18325
1692 1 4 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.090 0.112 18325
1693 1 4 . 1 1 41 41 ALA C C 41 181.236 181.236 179.176 2.060 18325
1694 1 4 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.840 0.236 18325
1695 1 4 . 1 1 41 41 ALA CB C 41 17.795 17.795 17.974 -0.179 18325
1696 1 4 . 1 1 41 41 ALA H H 41 8.460 8.460 7.854 0.607 18325
1697 1 4 . 1 1 42 42 ALA N N 42 122.394 122.394 118.916 3.478 18325
1698 1 4 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.213 0.011 18325
1699 1 4 . 1 1 42 42 ALA C C 42 178.949 178.949 178.818 0.131 18325
1700 1 4 . 1 1 42 42 ALA CA C 42 54.423 54.423 53.643 0.780 18325
1701 1 4 . 1 1 42 42 ALA CB C 42 19.786 19.786 18.718 1.068 18325
1702 1 4 . 1 1 42 42 ALA H H 42 7.973 7.973 7.972 0.001 18325
1703 1 4 . 1 1 43 43 ALA N N 43 120.965 120.965 122.149 -1.184 18325
1704 1 4 . 1 1 43 43 ALA HA H 43 3.788 3.788 4.073 -0.285 18325
1705 1 4 . 1 1 43 43 ALA C C 43 179.994 179.994 179.641 0.353 18325
1706 1 4 . 1 1 43 43 ALA CA C 43 56.189 56.189 55.009 1.180 18325
1707 1 4 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.201 -0.168 18325
1708 1 4 . 1 1 43 43 ALA H H 43 8.170 8.170 7.588 0.582 18325
1709 1 4 . 1 1 44 44 GLU N N 44 117.052 117.052 118.821 -1.769 18325
1710 1 4 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.029 -0.076 18325
1711 1 4 . 1 1 44 44 GLU C C 44 179.698 179.698 178.625 1.073 18325
1712 1 4 . 1 1 44 44 GLU CA C 44 58.934 58.934 58.858 0.075 18325
1713 1 4 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.166 -0.040 18325
1714 1 4 . 1 1 44 44 GLU H H 44 8.240 8.240 8.484 -0.244 18325
1715 1 4 . 1 1 45 45 PHE N N 45 122.282 122.282 120.088 2.194 18325
1716 1 4 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.316 -0.084 18325
1717 1 4 . 1 1 45 45 PHE C C 45 177.994 177.994 177.169 0.825 18325
1718 1 4 . 1 1 45 45 PHE CA C 45 61.170 61.170 60.364 0.806 18325
1719 1 4 . 1 1 45 45 PHE CB C 45 38.225 38.225 38.861 -0.636 18325
1720 1 4 . 1 1 45 45 PHE H H 45 8.068 8.068 7.440 0.628 18325
1721 1 4 . 1 1 46 46 VAL N N 46 120.442 120.442 119.725 0.717 18325
1722 1 4 . 1 1 46 46 VAL HA H 46 2.908 2.908 3.071 -0.163 18325
1723 1 4 . 1 1 46 46 VAL C C 46 178.852 178.852 177.621 1.231 18325
1724 1 4 . 1 1 46 46 VAL CA C 46 67.186 67.186 66.874 0.312 18325
1725 1 4 . 1 1 46 46 VAL CB C 46 31.143 31.143 31.021 0.122 18325
1726 1 4 . 1 1 46 46 VAL H H 46 8.363 8.363 7.568 0.795 18325
1727 1 4 . 1 1 47 47 GLY N N 47 105.864 105.864 105.549 0.315 18325
1728 1 4 . 1 1 47 47 GLY C C 47 176.759 176.759 174.829 1.930 18325
1729 1 4 . 1 1 47 47 GLY CA C 47 46.690 46.690 47.157 -0.467 18325
1730 1 4 . 1 1 47 47 GLY H H 47 8.187 8.187 8.099 0.088 18325
1731 1 4 . 1 1 48 48 SER N N 48 118.796 118.796 115.020 3.776 18325
1732 1 4 . 1 1 48 48 SER HA H 48 4.201 4.201 4.314 -0.113 18325
1733 1 4 . 1 1 48 48 SER C C 48 176.571 176.571 175.733 0.838 18325
1734 1 4 . 1 1 48 48 SER CA C 48 61.440 61.440 60.621 0.819 18325
1735 1 4 . 1 1 48 48 SER CB C 48 62.661 62.661 63.264 -0.603 18325
1736 1 4 . 1 1 48 48 SER H H 48 8.045 8.045 7.110 0.935 18325
1737 1 4 . 1 1 49 49 VAL N N 49 114.967 114.967 116.660 -1.693 18325
1738 1 4 . 1 1 49 49 VAL HA H 49 4.356 4.356 3.889 0.467 18325
1739 1 4 . 1 1 49 49 VAL C C 49 175.807 175.807 176.095 -0.288 18325
1740 1 4 . 1 1 49 49 VAL CA C 49 62.064 62.064 63.225 -1.161 18325
1741 1 4 . 1 1 49 49 VAL CB C 49 31.110 31.110 31.854 -0.744 18325
1742 1 4 . 1 1 49 49 VAL H H 49 7.040 7.040 7.202 -0.162 18325
1743 1 4 . 1 1 50 50 ASN N N 50 119.765 119.765 119.876 -0.111 18325
1744 1 4 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.657 0.477 18325
1745 1 4 . 1 1 50 50 ASN C C 50 176.473 176.473 174.878 1.595 18325
1746 1 4 . 1 1 50 50 ASN CA C 50 53.454 53.454 53.080 0.374 18325
1747 1 4 . 1 1 50 50 ASN CB C 50 40.815 40.815 39.275 1.540 18325
1748 1 4 . 1 1 50 50 ASN H H 50 7.364 7.364 7.874 -0.510 18325
1749 1 4 . 1 1 51 51 GLY N N 51 110.407 110.407 108.244 2.163 18325
1750 1 4 . 1 1 51 51 GLY C C 51 174.967 174.967 174.674 0.293 18325
1751 1 4 . 1 1 51 51 GLY CA C 51 47.543 47.543 44.484 3.059 18325
1752 1 4 . 1 1 51 51 GLY H H 51 8.546 8.546 8.391 0.155 18325
1753 1 4 . 1 1 52 52 GLY N N 52 106.482 106.482 113.479 -6.997 18325
1754 1 4 . 1 1 52 52 GLY C C 52 174.134 174.134 174.219 -0.085 18325
1755 1 4 . 1 1 52 52 GLY CA C 52 44.424 44.424 45.628 -1.204 18325
1756 1 4 . 1 1 52 52 GLY H H 52 8.810 8.810 8.696 0.114 18325
1757 1 4 . 1 1 53 53 ASN N N 53 119.129 119.129 122.005 -2.876 18325
1758 1 4 . 1 1 53 53 ASN HA H 53 4.738 4.738 4.836 -0.098 18325
1759 1 4 . 1 1 53 53 ASN C C 53 174.828 174.828 174.273 0.555 18325
1760 1 4 . 1 1 53 53 ASN CA C 53 52.654 52.654 51.955 0.700 18325
1761 1 4 . 1 1 53 53 ASN CB C 53 40.237 40.237 40.414 -0.177 18325
1762 1 4 . 1 1 53 53 ASN H H 53 7.330 7.330 8.326 -0.996 18325
1763 1 4 . 1 1 54 54 ARG N N 54 125.094 125.094 123.288 1.806 18325
1764 1 4 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.183 -0.049 18325
1765 1 4 . 1 1 54 54 ARG C C 54 174.863 174.863 175.711 -0.848 18325
1766 1 4 . 1 1 54 54 ARG CA C 54 55.132 55.132 56.825 -1.693 18325
1767 1 4 . 1 1 54 54 ARG CB C 54 27.409 27.409 30.496 -3.087 18325
1768 1 4 . 1 1 54 54 ARG H H 54 8.826 8.826 8.529 0.297 18325
1769 1 4 . 1 1 55 55 THR N N 55 117.920 117.920 122.892 -4.972 18325
1770 1 4 . 1 1 55 55 THR HA H 55 4.020 4.020 4.521 -0.501 18325
1771 1 4 . 1 1 55 55 THR C C 55 172.459 172.459 174.590 -2.131 18325
1772 1 4 . 1 1 55 55 THR CA C 55 63.451 63.451 61.569 1.882 18325
1773 1 4 . 1 1 55 55 THR CB C 55 69.158 69.158 70.483 -1.325 18325
1774 1 4 . 1 1 55 55 THR H H 55 6.994 6.994 8.873 -1.879 18325
1775 1 4 . 1 1 56 56 VAL N N 56 117.300 117.300 126.090 -8.790 18325
1776 1 4 . 1 1 56 56 VAL HA H 56 4.735 4.735 4.032 0.703 18325
1777 1 4 . 1 1 56 56 VAL CA C 56 56.872 56.872 65.895 -9.023 18325
1778 1 4 . 1 1 56 56 VAL CB C 56 34.378 34.378 30.028 4.350 18325
1779 1 4 . 1 1 56 56 VAL H H 56 8.172 8.172 8.777 -0.605 18325
1780 1 4 . 1 1 57 57 PRO HA H 57 5.350 5.350 4.883 0.467 18325
1781 1 4 . 1 1 57 57 PRO C C 57 176.879 176.879 175.789 1.090 18325
1782 1 4 . 1 1 57 57 PRO CA C 57 62.246 62.246 62.373 -0.127 18325
1783 1 4 . 1 1 57 57 PRO CB C 57 34.293 34.293 30.043 4.250 18325
1784 1 4 . 1 1 58 58 THR N N 58 120.440 120.440 120.588 -0.148 18325
1785 1 4 . 1 1 58 58 THR HA H 58 5.042 5.042 5.007 0.035 18325
1786 1 4 . 1 1 58 58 THR C C 58 172.321 172.321 172.985 -0.664 18325
1787 1 4 . 1 1 58 58 THR CA C 58 63.449 63.449 62.102 1.347 18325
1788 1 4 . 1 1 58 58 THR CB C 58 71.892 71.892 71.739 0.153 18325
1789 1 4 . 1 1 58 58 THR H H 58 7.948 7.948 8.733 -0.785 18325
1790 1 4 . 1 1 59 59 VAL N N 59 126.444 126.444 126.126 0.318 18325
1791 1 4 . 1 1 59 59 VAL HA H 59 5.095 5.095 4.969 0.126 18325
1792 1 4 . 1 1 59 59 VAL C C 59 173.176 173.176 173.270 -0.094 18325
1793 1 4 . 1 1 59 59 VAL CA C 59 60.133 60.133 59.528 0.605 18325
1794 1 4 . 1 1 59 59 VAL CB C 59 34.117 34.117 35.300 -1.183 18325
1795 1 4 . 1 1 59 59 VAL H H 59 9.428 9.428 8.951 0.477 18325
1796 1 4 . 1 1 60 60 LYS N N 60 126.183 126.183 128.020 -1.837 18325
1797 1 4 . 1 1 60 60 LYS HA H 60 5.379 5.379 5.208 0.171 18325
1798 1 4 . 1 1 60 60 LYS C C 60 175.404 175.404 175.095 0.309 18325
1799 1 4 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.507 0.104 18325
1800 1 4 . 1 1 60 60 LYS CB C 60 37.601 37.601 35.492 2.109 18325
1801 1 4 . 1 1 60 60 LYS H H 60 9.214 9.214 8.894 0.320 18325
1802 1 4 . 1 1 61 61 PHE N N 61 126.709 126.709 122.667 4.042 18325
1803 1 4 . 1 1 61 61 PHE HA H 61 4.736 4.736 4.921 -0.185 18325
1804 1 4 . 1 1 61 61 PHE C C 61 178.102 178.102 177.506 0.596 18325
1805 1 4 . 1 1 61 61 PHE CA C 61 58.048 58.048 56.557 1.491 18325
1806 1 4 . 1 1 61 61 PHE CB C 61 41.221 41.221 41.265 -0.044 18325
1807 1 4 . 1 1 61 61 PHE H H 61 9.069 9.069 8.360 0.709 18325
1808 1 4 . 1 1 62 62 ALA N N 62 123.358 123.358 123.685 -0.327 18325
1809 1 4 . 1 1 62 62 ALA HA H 62 4.134 4.134 4.076 0.058 18325
1810 1 4 . 1 1 62 62 ALA C C 62 177.754 177.754 178.279 -0.525 18325
1811 1 4 . 1 1 62 62 ALA CA C 62 54.940 54.940 54.589 0.351 18325
1812 1 4 . 1 1 62 62 ALA CB C 62 19.243 19.243 18.557 0.686 18325
1813 1 4 . 1 1 62 62 ALA H H 62 9.728 9.728 8.995 0.733 18325
1814 1 4 . 1 1 63 63 ASP N N 63 113.412 113.412 118.064 -4.652 18325
1815 1 4 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.515 0.071 18325
1816 1 4 . 1 1 63 63 ASP C C 63 177.032 177.032 177.664 -0.632 18325
1817 1 4 . 1 1 63 63 ASP CA C 63 53.141 53.141 54.145 -1.004 18325
1818 1 4 . 1 1 63 63 ASP CB C 63 40.040 40.040 40.947 -0.907 18325
1819 1 4 . 1 1 63 63 ASP H H 63 7.675 7.675 8.121 -0.446 18325
1820 1 4 . 1 1 64 64 GLY N N 64 109.285 109.285 107.406 1.879 18325
1821 1 4 . 1 1 64 64 GLY C C 64 173.680 173.680 174.715 -1.035 18325
1822 1 4 . 1 1 64 64 GLY CA C 64 45.328 45.328 45.140 0.188 18325
1823 1 4 . 1 1 64 64 GLY H H 64 8.361 8.361 8.205 0.156 18325
1824 1 4 . 1 1 65 65 SER N N 65 117.733 117.733 116.266 1.467 18325
1825 1 4 . 1 1 65 65 SER HA H 65 4.567 4.567 4.850 -0.283 18325
1826 1 4 . 1 1 65 65 SER C C 65 173.595 173.595 173.447 0.148 18325
1827 1 4 . 1 1 65 65 SER CA C 65 58.964 58.964 57.004 1.960 18325
1828 1 4 . 1 1 65 65 SER CB C 65 64.637 64.637 64.442 0.195 18325
1829 1 4 . 1 1 65 65 SER H H 65 8.287 8.287 7.896 0.391 18325
1830 1 4 . 1 1 66 66 THR N N 66 106.725 106.725 115.294 -8.569 18325
1831 1 4 . 1 1 66 66 THR HA H 66 6.250 6.250 5.394 0.856 18325
1832 1 4 . 1 1 66 66 THR C C 66 175.730 175.730 174.051 1.679 18325
1833 1 4 . 1 1 66 66 THR CA C 66 59.494 59.494 60.595 -1.101 18325
1834 1 4 . 1 1 66 66 THR CB C 66 73.049 73.049 70.932 2.117 18325
1835 1 4 . 1 1 66 66 THR H H 66 8.221 8.221 8.064 0.157 18325
1836 1 4 . 1 1 67 67 LEU N N 67 117.517 117.517 125.606 -8.089 18325
1837 1 4 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.720 0.148 18325
1838 1 4 . 1 1 67 67 LEU C C 67 176.030 176.030 176.058 -0.028 18325
1839 1 4 . 1 1 67 67 LEU CA C 67 54.768 54.768 54.333 0.436 18325
1840 1 4 . 1 1 67 67 LEU CB C 67 47.406 47.406 43.805 3.601 18325
1841 1 4 . 1 1 67 67 LEU H H 67 8.763 8.763 9.263 -0.500 18325
1842 1 4 . 1 1 68 68 THR N N 68 120.988 120.988 121.587 -0.599 18325
1843 1 4 . 1 1 68 68 THR HA H 68 4.616 4.616 4.537 0.079 18325
1844 1 4 . 1 1 68 68 THR C C 68 173.201 173.201 173.971 -0.770 18325
1845 1 4 . 1 1 68 68 THR CA C 68 62.802 62.802 62.318 0.484 18325
1846 1 4 . 1 1 68 68 THR CB C 68 69.226 69.226 69.078 0.148 18325
1847 1 4 . 1 1 68 68 THR H H 68 9.226 9.226 8.687 0.539 18325
1848 1 4 . 1 1 69 69 ASN N N 69 122.679 122.679 122.396 0.283 18325
1849 1 4 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.529 -0.239 18325
1850 1 4 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.207 1.259 18325
1851 1 4 . 1 1 69 69 ASN CB C 69 38.731 38.731 37.623 1.108 18325
1852 1 4 . 1 1 69 69 ASN H H 69 9.097 9.097 8.230 0.867 18325
1853 1 4 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.708 0.161 18325
1854 1 4 . 1 1 70 70 PRO C C 70 177.239 177.239 175.803 1.436 18325
1855 1 4 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.322 0.735 18325
1856 1 4 . 1 1 70 70 PRO CB C 70 32.153 32.153 33.388 -1.235 18325
1857 1 4 . 1 1 71 71 SER N N 71 115.373 115.373 115.786 -0.413 18325
1858 1 4 . 1 1 71 71 SER HA H 71 4.620 4.620 4.591 0.029 18325
1859 1 4 . 1 1 71 71 SER C C 71 175.966 175.966 175.803 0.163 18325
1860 1 4 . 1 1 71 71 SER CA C 71 56.624 56.624 57.322 -0.698 18325
1861 1 4 . 1 1 71 71 SER CB C 71 65.562 65.562 64.489 1.073 18325
1862 1 4 . 1 1 71 71 SER H H 71 8.932 8.932 8.818 0.114 18325
1863 1 4 . 1 1 72 72 ALA N N 72 124.008 124.008 127.945 -3.937 18325
1864 1 4 . 1 1 72 72 ALA HA H 72 3.763 3.763 3.985 -0.222 18325
1865 1 4 . 1 1 72 72 ALA C C 72 179.550 179.550 179.173 0.377 18325
1866 1 4 . 1 1 72 72 ALA CA C 72 55.970 55.970 55.266 0.704 18325
1867 1 4 . 1 1 72 72 ALA CB C 72 17.873 17.873 18.278 -0.405 18325
1868 1 4 . 1 1 72 72 ALA H H 72 9.235 9.235 8.943 0.292 18325
1869 1 4 . 1 1 73 73 ASP N N 73 116.584 116.584 118.252 -1.668 18325
1870 1 4 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.254 0.076 18325
1871 1 4 . 1 1 73 73 ASP C C 73 179.219 179.219 178.689 0.530 18325
1872 1 4 . 1 1 73 73 ASP CA C 73 57.583 57.583 58.583 -1.000 18325
1873 1 4 . 1 1 73 73 ASP CB C 73 40.300 40.300 40.226 0.074 18325
1874 1 4 . 1 1 73 73 ASP H H 73 8.277 8.277 8.807 -0.530 18325
1875 1 4 . 1 1 74 74 GLU N N 74 122.057 122.057 120.083 1.974 18325
1876 1 4 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.053 -0.038 18325
1877 1 4 . 1 1 74 74 GLU C C 74 180.045 180.045 179.046 0.999 18325
1878 1 4 . 1 1 74 74 GLU CA C 74 59.199 59.199 59.126 0.073 18325
1879 1 4 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.632 0.442 18325
1880 1 4 . 1 1 74 74 GLU H H 74 7.925 7.925 7.510 0.415 18325
1881 1 4 . 1 1 75 75 VAL N N 75 120.141 120.141 120.779 -0.638 18325
1882 1 4 . 1 1 75 75 VAL HA H 75 3.681 3.681 3.814 -0.133 18325
1883 1 4 . 1 1 75 75 VAL C C 75 177.008 177.008 178.145 -1.137 18325
1884 1 4 . 1 1 75 75 VAL CA C 75 67.172 67.172 67.069 0.103 18325
1885 1 4 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.534 -0.297 18325
1886 1 4 . 1 1 75 75 VAL H H 75 7.885 7.885 8.479 -0.594 18325
1887 1 4 . 1 1 76 76 LYS N N 76 118.715 118.715 120.099 -1.384 18325
1888 1 4 . 1 1 76 76 LYS HA H 76 3.827 3.827 3.998 -0.171 18325
1889 1 4 . 1 1 76 76 LYS C C 76 178.105 178.105 178.714 -0.609 18325
1890 1 4 . 1 1 76 76 LYS CA C 76 60.397 60.397 59.036 1.361 18325
1891 1 4 . 1 1 76 76 LYS CB C 76 32.405 32.405 32.021 0.384 18325
1892 1 4 . 1 1 76 76 LYS H H 76 8.298 8.298 8.488 -0.190 18325
1893 1 4 . 1 1 77 77 ALA N N 77 118.993 118.993 121.428 -2.435 18325
1894 1 4 . 1 1 77 77 ALA HA H 77 4.031 4.031 4.020 0.011 18325
1895 1 4 . 1 1 77 77 ALA C C 77 180.450 180.450 179.743 0.707 18325
1896 1 4 . 1 1 77 77 ALA CA C 77 54.820 54.820 55.205 -0.385 18325
1897 1 4 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.378 -0.178 18325
1898 1 4 . 1 1 77 77 ALA H H 77 7.985 7.985 8.218 -0.233 18325
1899 1 4 . 1 1 78 78 LYS N N 78 119.952 119.952 118.507 1.445 18325
1900 1 4 . 1 1 78 78 LYS HA H 78 3.975 3.975 4.019 -0.044 18325
1901 1 4 . 1 1 78 78 LYS C C 78 177.949 177.949 178.863 -0.914 18325
1902 1 4 . 1 1 78 78 LYS CA C 78 58.079 58.079 57.993 0.086 18325
1903 1 4 . 1 1 78 78 LYS CB C 78 31.342 31.342 31.786 -0.444 18325
1904 1 4 . 1 1 78 78 LYS H H 78 7.480 7.480 8.045 -0.565 18325
1905 1 4 . 1 1 79 79 LEU N N 79 118.729 118.729 121.605 -2.876 18325
1906 1 4 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.255 -0.219 18325
1907 1 4 . 1 1 79 79 LEU C C 79 180.234 180.234 178.121 2.113 18325
1908 1 4 . 1 1 79 79 LEU CA C 79 58.096 58.096 58.603 -0.507 18325
1909 1 4 . 1 1 79 79 LEU CB C 79 41.776 41.776 41.989 -0.212 18325
1910 1 4 . 1 1 79 79 LEU H H 79 8.075 8.075 8.354 -0.279 18325
1911 1 4 . 1 1 80 80 VAL N N 80 118.567 118.567 115.833 2.734 18325
1912 1 4 . 1 1 80 80 VAL HA H 80 3.733 3.733 3.682 0.051 18325
1913 1 4 . 1 1 80 80 VAL C C 80 178.390 178.390 177.492 0.898 18325
1914 1 4 . 1 1 80 80 VAL CA C 80 65.895 65.895 66.388 -0.492 18325
1915 1 4 . 1 1 80 80 VAL CB C 80 31.961 31.961 31.075 0.886 18325
1916 1 4 . 1 1 80 80 VAL H H 80 7.867 7.867 8.335 -0.468 18325
1917 1 4 . 1 1 81 81 LYS N N 81 121.106 121.106 119.370 1.736 18325
1918 1 4 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.165 -0.073 18325
1919 1 4 . 1 1 81 81 LYS C C 81 179.434 179.434 178.528 0.906 18325
1920 1 4 . 1 1 81 81 LYS CA C 81 58.943 58.943 59.012 -0.069 18325
1921 1 4 . 1 1 81 81 LYS CB C 81 32.497 32.497 32.292 0.205 18325
1922 1 4 . 1 1 81 81 LYS H H 81 7.565 7.565 7.551 0.014 18325
1923 1 4 . 1 1 82 82 ILE N N 82 117.365 117.365 114.956 2.409 18325
1924 1 4 . 1 1 82 82 ILE HA H 82 3.953 3.953 4.154 -0.201 18325
1925 1 4 . 1 1 82 82 ILE C C 82 177.482 177.482 177.296 0.186 18325
1926 1 4 . 1 1 82 82 ILE CA C 82 63.598 63.598 62.377 1.221 18325
1927 1 4 . 1 1 82 82 ILE CB C 82 38.372 38.372 37.773 0.599 18325
1928 1 4 . 1 1 82 82 ILE H H 82 8.124 8.124 7.613 0.511 18325
1929 1 4 . 1 1 83 83 ALA N N 83 123.334 123.334 121.341 1.993 18325
1930 1 4 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.316 -0.037 18325
1931 1 4 . 1 1 83 83 ALA C C 83 179.104 179.104 179.350 -0.246 18325
1932 1 4 . 1 1 83 83 ALA CA C 83 53.851 53.851 53.703 0.148 18325
1933 1 4 . 1 1 83 83 ALA CB C 83 18.769 18.769 19.854 -1.085 18325
1934 1 4 . 1 1 83 83 ALA H H 83 7.867 7.867 8.527 -0.660 18325
1935 1 4 . 1 1 84 84 GLY N N 84 105.962 105.962 107.333 -1.371 18325
1936 1 4 . 1 1 84 84 GLY C C 84 174.779 174.779 175.506 -0.727 18325
1937 1 4 . 1 1 84 84 GLY CA C 84 45.847 45.847 46.136 -0.289 18325
1938 1 4 . 1 1 84 84 GLY H H 84 8.019 8.019 8.580 -0.561 18325
1939 1 4 . 1 1 85 85 LEU N N 85 120.702 120.702 120.385 0.317 18325
1940 1 4 . 1 1 85 85 LEU HA H 85 4.275 4.275 4.477 -0.202 18325
1941 1 4 . 1 1 85 85 LEU C C 85 177.609 177.609 177.140 0.469 18325
1942 1 4 . 1 1 85 85 LEU CA C 85 55.511 55.511 55.726 -0.215 18325
1943 1 4 . 1 1 85 85 LEU CB C 85 42.449 42.449 42.561 -0.112 18325
1944 1 4 . 1 1 85 85 LEU H H 85 7.727 7.727 7.663 0.064 18325
1945 1 4 . 1 1 86 86 GLU N N 86 120.386 120.386 118.209 2.177 18325
1946 1 4 . 1 1 86 86 GLU HA H 86 4.154 4.154 4.464 -0.310 18325
1947 1 4 . 1 1 86 86 GLU C C 86 176.359 176.359 174.459 1.900 18325
1948 1 4 . 1 1 86 86 GLU CA C 86 56.941 56.941 55.665 1.276 18325
1949 1 4 . 1 1 86 86 GLU CB C 86 30.180 30.180 32.768 -2.588 18325
1950 1 4 . 1 1 86 86 GLU H H 86 8.238 8.238 7.692 0.546 18325
1951 1 4 . 1 1 87 87 HIS N N 87 119.393 119.393 120.782 -1.389 18325
1952 1 4 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.760 -0.170 18325
1953 1 4 . 1 1 87 87 HIS C C 87 174.000 174.000 173.943 0.057 18325
1954 1 4 . 1 1 87 87 HIS CA C 87 56.146 56.146 56.892 -0.746 18325
1955 1 4 . 1 1 87 87 HIS CB C 87 30.335 30.335 32.622 -2.287 18325
1956 1 4 . 1 1 87 87 HIS H H 87 8.177 8.177 8.586 -0.409 18325
1957 1 5 . 1 1 2 2 VAL HA H 2 4.195 4.195 4.394 -0.199 18325
1958 1 5 . 1 1 2 2 VAL C C 2 175.805 175.805 175.832 -0.027 18325
1959 1 5 . 1 1 2 2 VAL CA C 2 62.388 62.388 61.933 0.455 18325
1960 1 5 . 1 1 2 2 VAL CB C 2 32.777 32.777 31.954 0.823 18325
1961 1 5 . 1 1 3 3 THR N N 3 119.229 119.229 122.556 -3.327 18325
1962 1 5 . 1 1 3 3 THR HA H 3 4.259 4.259 3.889 0.370 18325
1963 1 5 . 1 1 3 3 THR C C 3 173.761 173.761 173.747 0.014 18325
1964 1 5 . 1 1 3 3 THR CA C 3 61.673 61.673 64.893 -3.220 18325
1965 1 5 . 1 1 3 3 THR CB C 3 69.846 69.846 67.855 1.992 18325
1966 1 5 . 1 1 3 3 THR H H 3 8.256 8.256 8.867 -0.611 18325
1967 1 5 . 1 1 4 4 ALA N N 4 126.635 126.635 124.293 2.342 18325
1968 1 5 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.371 -0.217 18325
1969 1 5 . 1 1 4 4 ALA C C 4 177.002 177.002 176.955 0.047 18325
1970 1 5 . 1 1 4 4 ALA CA C 4 52.159 52.159 51.915 0.244 18325
1971 1 5 . 1 1 4 4 ALA CB C 4 19.512 19.512 19.734 -0.222 18325
1972 1 5 . 1 1 4 4 ALA H H 4 8.367 8.367 7.552 0.815 18325
1973 1 5 . 1 1 5 5 ALA N N 5 123.621 123.621 125.865 -2.244 18325
1974 1 5 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.229 0.038 18325
1975 1 5 . 1 1 5 5 ALA C C 5 176.288 176.288 176.912 -0.624 18325
1976 1 5 . 1 1 5 5 ALA CA C 5 52.894 52.894 53.107 -0.213 18325
1977 1 5 . 1 1 5 5 ALA CB C 5 19.494 19.494 19.470 0.024 18325
1978 1 5 . 1 1 5 5 ALA H H 5 8.374 8.374 8.597 -0.223 18325
1979 1 5 . 1 1 6 6 LEU N N 6 115.731 115.731 117.186 -1.455 18325
1980 1 5 . 1 1 6 6 LEU HA H 6 4.648 4.648 4.719 -0.071 18325
1981 1 5 . 1 1 6 6 LEU C C 6 175.007 175.007 175.808 -0.801 18325
1982 1 5 . 1 1 6 6 LEU CA C 6 54.263 54.263 54.018 0.245 18325
1983 1 5 . 1 1 6 6 LEU CB C 6 44.224 44.224 44.364 -0.140 18325
1984 1 5 . 1 1 6 6 LEU H H 6 7.478 7.478 7.457 0.021 18325
1985 1 5 . 1 1 7 7 THR N N 7 119.383 119.383 120.734 -1.351 18325
1986 1 5 . 1 1 7 7 THR HA H 7 4.906 4.906 4.906 -0.000 18325
1987 1 5 . 1 1 7 7 THR C C 7 172.657 172.657 173.293 -0.636 18325
1988 1 5 . 1 1 7 7 THR CA C 7 61.586 61.586 61.948 -0.362 18325
1989 1 5 . 1 1 7 7 THR CB C 7 70.917 70.917 69.428 1.489 18325
1990 1 5 . 1 1 7 7 THR H H 7 8.342 8.342 8.766 -0.424 18325
1991 1 5 . 1 1 8 8 ILE N N 8 124.711 124.711 126.602 -1.891 18325
1992 1 5 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.704 -0.129 18325
1993 1 5 . 1 1 8 8 ILE C C 8 172.650 172.650 174.574 -1.924 18325
1994 1 5 . 1 1 8 8 ILE CA C 8 59.206 59.206 59.554 -0.348 18325
1995 1 5 . 1 1 8 8 ILE CB C 8 40.150 40.150 40.957 -0.807 18325
1996 1 5 . 1 1 8 8 ILE H H 8 9.050 9.050 9.197 -0.147 18325
1997 1 5 . 1 1 9 9 TYR N N 9 128.517 128.517 127.716 0.801 18325
1998 1 5 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.621 0.804 18325
1999 1 5 . 1 1 9 9 TYR C C 9 176.445 176.445 174.585 1.860 18325
2000 1 5 . 1 1 9 9 TYR CA C 9 57.397 57.397 58.002 -0.605 18325
2001 1 5 . 1 1 9 9 TYR CB C 9 39.232 39.232 37.997 1.235 18325
2002 1 5 . 1 1 9 9 TYR H H 9 9.094 9.094 9.133 -0.039 18325
2003 1 5 . 1 1 10 10 THR N N 10 112.214 112.214 114.948 -2.734 18325
2004 1 5 . 1 1 10 10 THR HA H 10 4.778 4.778 4.613 0.165 18325
2005 1 5 . 1 1 10 10 THR C C 10 173.410 173.410 173.204 0.206 18325
2006 1 5 . 1 1 10 10 THR CA C 10 59.893 59.893 59.988 -0.095 18325
2007 1 5 . 1 1 10 10 THR CB C 10 72.063 72.063 71.884 0.179 18325
2008 1 5 . 1 1 10 10 THR H H 10 8.824 8.824 8.062 0.762 18325
2009 1 5 . 1 1 11 11 THR N N 11 103.866 103.866 113.556 -9.690 18325
2010 1 5 . 1 1 11 11 THR HA H 11 4.585 4.585 4.553 0.032 18325
2011 1 5 . 1 1 11 11 THR C C 11 176.335 176.335 175.708 0.627 18325
2012 1 5 . 1 1 11 11 THR CA C 11 60.389 60.389 59.565 0.824 18325
2013 1 5 . 1 1 11 11 THR CB C 11 72.584 72.584 71.218 1.366 18325
2014 1 5 . 1 1 11 11 THR H H 11 6.667 6.667 8.101 -1.434 18325
2015 1 5 . 1 1 12 12 SER N N 12 116.991 116.991 115.121 1.870 18325
2016 1 5 . 1 1 12 12 SER HA H 12 4.134 4.134 4.563 -0.429 18325
2017 1 5 . 1 1 12 12 SER C C 12 174.863 174.863 174.853 0.010 18325
2018 1 5 . 1 1 12 12 SER CA C 12 61.183 61.183 59.447 1.736 18325
2019 1 5 . 1 1 12 12 SER CB C 12 62.845 62.845 63.300 -0.455 18325
2020 1 5 . 1 1 12 12 SER H H 12 9.561 9.561 9.196 0.365 18325
2021 1 5 . 1 1 13 13 TRP N N 13 117.675 117.675 120.914 -3.239 18325
2022 1 5 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.789 -0.014 18325
2023 1 5 . 1 1 13 13 TRP C C 13 175.144 175.144 176.060 -0.916 18325
2024 1 5 . 1 1 13 13 TRP CA C 13 54.555 54.555 55.961 -1.406 18325
2025 1 5 . 1 1 13 13 TRP CB C 13 28.292 28.292 27.857 0.435 18325
2026 1 5 . 1 1 13 13 TRP H H 13 6.996 6.996 8.118 -1.122 18325
2027 1 5 . 1 1 14 14 CYS N N 14 120.513 120.513 113.590 6.923 18325
2028 1 5 . 1 1 14 14 CYS HA H 14 4.498 4.498 5.120 -0.622 18325
2029 1 5 . 1 1 14 14 CYS CA C 14 53.859 53.859 56.642 -2.783 18325
2030 1 5 . 1 1 14 14 CYS CB C 14 44.419 44.419 31.071 13.348 18325
2031 1 5 . 1 1 14 14 CYS H H 14 6.755 6.755 7.393 -0.638 18325
2032 1 5 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.437 -0.060 18325
2033 1 5 . 1 1 16 16 TYR C C 16 177.495 177.495 177.141 0.354 18325
2034 1 5 . 1 1 16 16 TYR CA C 16 60.662 60.662 58.152 2.510 18325
2035 1 5 . 1 1 16 16 TYR CB C 16 37.852 37.852 36.213 1.639 18325
2036 1 5 . 1 1 17 17 CYS N N 17 114.160 114.160 115.625 -1.465 18325
2037 1 5 . 1 1 17 17 CYS HA H 17 3.923 3.923 3.961 -0.038 18325
2038 1 5 . 1 1 17 17 CYS C C 17 174.680 174.680 176.700 -2.020 18325
2039 1 5 . 1 1 17 17 CYS CA C 17 65.302 65.302 60.644 4.658 18325
2040 1 5 . 1 1 17 17 CYS CB C 17 33.986 33.986 26.348 7.638 18325
2041 1 5 . 1 1 17 17 CYS H H 17 8.495 8.495 8.340 0.155 18325
2042 1 5 . 1 1 18 18 LEU N N 18 119.295 119.295 122.338 -3.043 18325
2043 1 5 . 1 1 18 18 LEU HA H 18 4.031 4.031 3.991 0.040 18325
2044 1 5 . 1 1 18 18 LEU C C 18 179.001 179.001 179.335 -0.334 18325
2045 1 5 . 1 1 18 18 LEU CA C 18 58.234 58.234 58.114 0.120 18325
2046 1 5 . 1 1 18 18 LEU CB C 18 41.205 41.205 41.183 0.022 18325
2047 1 5 . 1 1 18 18 LEU H H 18 7.311 7.311 7.509 -0.198 18325
2048 1 5 . 1 1 19 19 ARG N N 19 119.771 119.771 119.530 0.241 18325
2049 1 5 . 1 1 19 19 ARG HA H 19 3.998 3.998 4.074 -0.076 18325
2050 1 5 . 1 1 19 19 ARG C C 19 178.949 178.949 178.895 0.054 18325
2051 1 5 . 1 1 19 19 ARG CA C 19 59.597 59.597 58.299 1.298 18325
2052 1 5 . 1 1 19 19 ARG CB C 19 30.006 30.006 29.363 0.643 18325
2053 1 5 . 1 1 19 19 ARG H H 19 7.469 7.469 7.592 -0.123 18325
2054 1 5 . 1 1 20 20 LEU N N 20 120.802 120.802 120.909 -0.107 18325
2055 1 5 . 1 1 20 20 LEU HA H 20 4.097 4.097 4.067 0.030 18325
2056 1 5 . 1 1 20 20 LEU C C 20 177.928 177.928 177.968 -0.040 18325
2057 1 5 . 1 1 20 20 LEU CA C 20 57.757 57.757 57.707 0.050 18325
2058 1 5 . 1 1 20 20 LEU CB C 20 40.940 40.940 41.759 -0.819 18325
2059 1 5 . 1 1 20 20 LEU H H 20 8.150 8.150 7.521 0.629 18325
2060 1 5 . 1 1 21 21 LYS N N 21 117.910 117.910 119.173 -1.263 18325
2061 1 5 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.570 -0.290 18325
2062 1 5 . 1 1 21 21 LYS C C 21 178.851 178.851 178.809 0.042 18325
2063 1 5 . 1 1 21 21 LYS CA C 21 61.353 61.353 60.096 1.258 18325
2064 1 5 . 1 1 21 21 LYS CB C 21 31.698 31.698 32.290 -0.592 18325
2065 1 5 . 1 1 21 21 LYS H H 21 7.854 7.854 8.296 -0.442 18325
2066 1 5 . 1 1 22 22 THR N N 22 115.451 115.451 112.528 2.923 18325
2067 1 5 . 1 1 22 22 THR HA H 22 3.889 3.889 4.160 -0.271 18325
2068 1 5 . 1 1 22 22 THR C C 22 176.571 176.571 176.290 0.281 18325
2069 1 5 . 1 1 22 22 THR CA C 22 66.849 66.849 65.450 1.399 18325
2070 1 5 . 1 1 22 22 THR CB C 22 68.793 68.793 68.274 0.519 18325
2071 1 5 . 1 1 22 22 THR H H 22 8.125 8.125 8.159 -0.034 18325
2072 1 5 . 1 1 23 23 ALA N N 23 125.218 125.218 124.662 0.556 18325
2073 1 5 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.089 0.185 18325
2074 1 5 . 1 1 23 23 ALA C C 23 180.948 180.948 179.571 1.377 18325
2075 1 5 . 1 1 23 23 ALA CA C 23 55.003 55.003 54.984 0.019 18325
2076 1 5 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.105 0.737 18325
2077 1 5 . 1 1 23 23 ALA H H 23 7.892 7.892 7.598 0.294 18325
2078 1 5 . 1 1 24 24 LEU N N 24 120.007 120.007 117.843 2.164 18325
2079 1 5 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.906 0.112 18325
2080 1 5 . 1 1 24 24 LEU C C 24 179.738 179.738 179.292 0.446 18325
2081 1 5 . 1 1 24 24 LEU CA C 24 58.807 58.807 57.863 0.944 18325
2082 1 5 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.349 -1.536 18325
2083 1 5 . 1 1 24 24 LEU H H 24 8.775 8.775 8.430 0.345 18325
2084 1 5 . 1 1 25 25 THR N N 25 118.777 118.777 116.065 2.712 18325
2085 1 5 . 1 1 25 25 THR HA H 25 4.175 4.175 4.134 0.041 18325
2086 1 5 . 1 1 25 25 THR C C 25 178.539 178.539 177.215 1.324 18325
2087 1 5 . 1 1 25 25 THR CA C 25 67.138 67.138 66.646 0.492 18325
2088 1 5 . 1 1 25 25 THR CB C 25 68.679 68.679 68.496 0.183 18325
2089 1 5 . 1 1 25 25 THR H H 25 8.636 8.636 7.955 0.681 18325
2090 1 5 . 1 1 26 26 ALA N N 26 126.122 126.122 124.299 1.823 18325
2091 1 5 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.196 -0.008 18325
2092 1 5 . 1 1 26 26 ALA C C 26 178.536 178.536 179.013 -0.477 18325
2093 1 5 . 1 1 26 26 ALA CA C 26 55.134 55.134 54.633 0.500 18325
2094 1 5 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.375 -0.488 18325
2095 1 5 . 1 1 26 26 ALA H H 26 8.357 8.357 8.402 -0.045 18325
2096 1 5 . 1 1 27 27 ASN N N 27 114.755 114.755 114.186 0.569 18325
2097 1 5 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.753 -0.056 18325
2098 1 5 . 1 1 27 27 ASN C C 27 172.751 172.751 174.874 -2.123 18325
2099 1 5 . 1 1 27 27 ASN CA C 27 53.712 53.712 53.396 0.316 18325
2100 1 5 . 1 1 27 27 ASN CB C 27 40.648 40.648 39.112 1.536 18325
2101 1 5 . 1 1 27 27 ASN H H 27 7.456 7.456 7.833 -0.377 18325
2102 1 5 . 1 1 28 28 ARG N N 28 115.444 115.444 115.129 0.315 18325
2103 1 5 . 1 1 28 28 ARG HA H 28 3.934 3.934 3.922 0.012 18325
2104 1 5 . 1 1 28 28 ARG C C 28 175.075 175.075 175.034 0.041 18325
2105 1 5 . 1 1 28 28 ARG CA C 28 57.091 57.091 57.143 -0.052 18325
2106 1 5 . 1 1 28 28 ARG CB C 28 26.393 26.393 27.479 -1.086 18325
2107 1 5 . 1 1 28 28 ARG H H 28 8.183 8.183 7.548 0.635 18325
2108 1 5 . 1 1 29 29 ILE N N 29 120.976 120.976 120.753 0.223 18325
2109 1 5 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.196 -0.117 18325
2110 1 5 . 1 1 29 29 ILE C C 29 175.050 175.050 174.775 0.275 18325
2111 1 5 . 1 1 29 29 ILE CA C 29 60.664 60.664 60.848 -0.184 18325
2112 1 5 . 1 1 29 29 ILE CB C 29 38.695 38.695 38.287 0.408 18325
2113 1 5 . 1 1 29 29 ILE H H 29 8.004 8.004 8.150 -0.146 18325
2114 1 5 . 1 1 30 30 ALA N N 30 131.099 131.099 130.988 0.111 18325
2115 1 5 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.333 -0.165 18325
2116 1 5 . 1 1 30 30 ALA C C 30 176.360 176.360 175.426 0.934 18325
2117 1 5 . 1 1 30 30 ALA CA C 30 51.819 51.819 52.009 -0.190 18325
2118 1 5 . 1 1 30 30 ALA CB C 30 19.641 19.641 20.090 -0.449 18325
2119 1 5 . 1 1 30 30 ALA H H 30 8.329 8.329 8.459 -0.130 18325
2120 1 5 . 1 1 31 31 TYR N N 31 114.363 114.363 116.780 -2.417 18325
2121 1 5 . 1 1 31 31 TYR HA H 31 5.133 5.133 4.849 0.284 18325
2122 1 5 . 1 1 31 31 TYR C C 31 173.470 173.470 173.324 0.146 18325
2123 1 5 . 1 1 31 31 TYR CA C 31 55.522 55.522 55.350 0.172 18325
2124 1 5 . 1 1 31 31 TYR CB C 31 41.184 41.184 40.822 0.362 18325
2125 1 5 . 1 1 31 31 TYR H H 31 7.509 7.509 7.585 -0.076 18325
2126 1 5 . 1 1 32 32 ASP N N 32 120.754 120.754 123.400 -2.646 18325
2127 1 5 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.878 0.048 18325
2128 1 5 . 1 1 32 32 ASP C C 32 174.611 174.611 175.320 -0.709 18325
2129 1 5 . 1 1 32 32 ASP CA C 32 52.875 52.875 53.603 -0.728 18325
2130 1 5 . 1 1 32 32 ASP CB C 32 42.843 42.843 43.365 -0.522 18325
2131 1 5 . 1 1 32 32 ASP H H 32 8.517 8.517 8.664 -0.147 18325
2132 1 5 . 1 1 33 33 GLU N N 33 124.650 124.650 121.095 3.555 18325
2133 1 5 . 1 1 33 33 GLU HA H 33 5.205 5.205 5.255 -0.050 18325
2134 1 5 . 1 1 33 33 GLU C C 33 175.049 175.049 175.989 -0.940 18325
2135 1 5 . 1 1 33 33 GLU CA C 33 54.489 54.489 54.841 -0.352 18325
2136 1 5 . 1 1 33 33 GLU CB C 33 32.425 32.425 31.202 1.223 18325
2137 1 5 . 1 1 33 33 GLU H H 33 8.836 8.836 8.555 0.281 18325
2138 1 5 . 1 1 34 34 VAL N N 34 128.112 128.112 122.275 5.837 18325
2139 1 5 . 1 1 34 34 VAL HA H 34 4.062 4.062 4.073 -0.011 18325
2140 1 5 . 1 1 34 34 VAL C C 34 173.620 173.620 176.702 -3.082 18325
2141 1 5 . 1 1 34 34 VAL CA C 34 61.427 61.427 61.383 0.044 18325
2142 1 5 . 1 1 34 34 VAL CB C 34 34.690 34.690 32.688 2.002 18325
2143 1 5 . 1 1 34 34 VAL H H 34 8.615 8.615 8.136 0.479 18325
2144 1 5 . 1 1 35 35 ASP N N 35 127.319 127.319 124.056 3.263 18325
2145 1 5 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.389 0.548 18325
2146 1 5 . 1 1 35 35 ASP C C 35 179.260 179.260 177.632 1.628 18325
2147 1 5 . 1 1 35 35 ASP CA C 35 61.428 61.428 56.079 5.349 18325
2148 1 5 . 1 1 35 35 ASP CB C 35 41.858 41.858 40.802 1.056 18325
2149 1 5 . 1 1 35 35 ASP H H 35 8.458 8.458 8.822 -0.364 18325
2150 1 5 . 1 1 36 36 ILE N N 36 119.537 119.537 115.423 4.114 18325
2151 1 5 . 1 1 36 36 ILE HA H 36 4.360 4.360 4.083 0.277 18325
2152 1 5 . 1 1 36 36 ILE C C 36 176.943 176.943 176.979 -0.036 18325
2153 1 5 . 1 1 36 36 ILE CA C 36 63.681 63.681 63.773 -0.092 18325
2154 1 5 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.378 0.259 18325
2155 1 5 . 1 1 36 36 ILE H H 36 8.833 8.833 7.953 0.880 18325
2156 1 5 . 1 1 37 37 GLU N N 37 122.074 122.074 118.495 3.579 18325
2157 1 5 . 1 1 37 37 GLU HA H 37 4.131 4.131 3.755 0.376 18325
2158 1 5 . 1 1 37 37 GLU C C 37 177.224 177.224 177.388 -0.164 18325
2159 1 5 . 1 1 37 37 GLU CA C 37 58.503 58.503 58.531 -0.028 18325
2160 1 5 . 1 1 37 37 GLU CB C 37 29.312 29.312 29.589 -0.277 18325
2161 1 5 . 1 1 37 37 GLU H H 37 8.815 8.815 8.346 0.469 18325
2162 1 5 . 1 1 38 38 HIS N N 38 114.611 114.611 114.262 0.349 18325
2163 1 5 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.797 0.049 18325
2164 1 5 . 1 1 38 38 HIS C C 38 174.168 174.168 175.310 -1.142 18325
2165 1 5 . 1 1 38 38 HIS CA C 38 55.189 55.189 57.005 -1.816 18325
2166 1 5 . 1 1 38 38 HIS CB C 38 30.936 30.936 31.775 -0.839 18325
2167 1 5 . 1 1 38 38 HIS H H 38 7.661 7.661 8.257 -0.596 18325
2168 1 5 . 1 1 39 39 ASN N N 39 117.944 117.944 120.014 -2.070 18325
2169 1 5 . 1 1 39 39 ASN HA H 39 4.900 4.900 4.752 0.148 18325
2170 1 5 . 1 1 39 39 ASN C C 39 173.626 173.626 176.275 -2.649 18325
2171 1 5 . 1 1 39 39 ASN CA C 39 52.634 52.634 52.975 -0.341 18325
2172 1 5 . 1 1 39 39 ASN CB C 39 39.436 39.436 38.373 1.063 18325
2173 1 5 . 1 1 39 39 ASN H H 39 7.095 7.095 8.277 -1.182 18325
2174 1 5 . 1 1 40 40 ARG N N 40 126.603 126.603 126.963 -0.360 18325
2175 1 5 . 1 1 40 40 ARG HA H 40 4.142 4.142 4.217 -0.075 18325
2176 1 5 . 1 1 40 40 ARG C C 40 178.292 178.292 177.010 1.282 18325
2177 1 5 . 1 1 40 40 ARG CA C 40 59.371 59.371 58.752 0.619 18325
2178 1 5 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.792 0.127 18325
2179 1 5 . 1 1 40 40 ARG H H 40 8.750 8.750 8.585 0.165 18325
2180 1 5 . 1 1 41 41 ALA N N 41 122.148 122.148 123.688 -1.540 18325
2181 1 5 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.228 -0.026 18325
2182 1 5 . 1 1 41 41 ALA C C 41 181.236 181.236 179.493 1.743 18325
2183 1 5 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.857 0.219 18325
2184 1 5 . 1 1 41 41 ALA CB C 41 17.795 17.795 18.168 -0.373 18325
2185 1 5 . 1 1 41 41 ALA H H 41 8.460 8.460 8.096 0.364 18325
2186 1 5 . 1 1 42 42 ALA N N 42 122.394 122.394 120.155 2.239 18325
2187 1 5 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.208 0.016 18325
2188 1 5 . 1 1 42 42 ALA C C 42 178.949 178.949 179.222 -0.273 18325
2189 1 5 . 1 1 42 42 ALA CA C 42 54.423 54.423 54.354 0.069 18325
2190 1 5 . 1 1 42 42 ALA CB C 42 19.786 19.786 18.332 1.454 18325
2191 1 5 . 1 1 42 42 ALA H H 42 7.973 7.973 8.418 -0.445 18325
2192 1 5 . 1 1 43 43 ALA N N 43 120.965 120.965 121.690 -0.725 18325
2193 1 5 . 1 1 43 43 ALA HA H 43 3.788 3.788 4.115 -0.327 18325
2194 1 5 . 1 1 43 43 ALA C C 43 179.994 179.994 179.793 0.201 18325
2195 1 5 . 1 1 43 43 ALA CA C 43 56.189 56.189 55.249 0.940 18325
2196 1 5 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.222 -0.189 18325
2197 1 5 . 1 1 43 43 ALA H H 43 8.170 8.170 7.653 0.517 18325
2198 1 5 . 1 1 44 44 GLU N N 44 117.052 117.052 118.160 -1.108 18325
2199 1 5 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.157 -0.204 18325
2200 1 5 . 1 1 44 44 GLU C C 44 179.698 179.698 178.881 0.817 18325
2201 1 5 . 1 1 44 44 GLU CA C 44 58.934 58.934 58.704 0.230 18325
2202 1 5 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.458 -0.332 18325
2203 1 5 . 1 1 44 44 GLU H H 44 8.240 8.240 7.803 0.437 18325
2204 1 5 . 1 1 45 45 PHE N N 45 122.282 122.282 121.981 0.301 18325
2205 1 5 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.322 -0.090 18325
2206 1 5 . 1 1 45 45 PHE C C 45 177.994 177.994 176.983 1.011 18325
2207 1 5 . 1 1 45 45 PHE CA C 45 61.170 61.170 60.675 0.495 18325
2208 1 5 . 1 1 45 45 PHE CB C 45 38.225 38.225 39.093 -0.868 18325
2209 1 5 . 1 1 45 45 PHE H H 45 8.068 8.068 7.540 0.528 18325
2210 1 5 . 1 1 46 46 VAL N N 46 120.442 120.442 119.165 1.277 18325
2211 1 5 . 1 1 46 46 VAL HA H 46 2.908 2.908 2.938 -0.030 18325
2212 1 5 . 1 1 46 46 VAL C C 46 178.852 178.852 177.741 1.111 18325
2213 1 5 . 1 1 46 46 VAL CA C 46 67.186 67.186 66.777 0.409 18325
2214 1 5 . 1 1 46 46 VAL CB C 46 31.143 31.143 31.196 -0.053 18325
2215 1 5 . 1 1 46 46 VAL H H 46 8.363 8.363 8.064 0.299 18325
2216 1 5 . 1 1 47 47 GLY N N 47 105.864 105.864 105.591 0.273 18325
2217 1 5 . 1 1 47 47 GLY C C 47 176.759 176.759 175.999 0.760 18325
2218 1 5 . 1 1 47 47 GLY CA C 47 46.690 46.690 47.411 -0.722 18325
2219 1 5 . 1 1 47 47 GLY H H 47 8.187 8.187 7.761 0.426 18325
2220 1 5 . 1 1 48 48 SER N N 48 118.796 118.796 117.554 1.242 18325
2221 1 5 . 1 1 48 48 SER HA H 48 4.201 4.201 4.165 0.036 18325
2222 1 5 . 1 1 48 48 SER C C 48 176.571 176.571 176.223 0.348 18325
2223 1 5 . 1 1 48 48 SER CA C 48 61.440 61.440 61.967 -0.527 18325
2224 1 5 . 1 1 48 48 SER CB C 48 62.661 62.661 63.129 -0.468 18325
2225 1 5 . 1 1 48 48 SER H H 48 8.045 8.045 7.598 0.447 18325
2226 1 5 . 1 1 49 49 VAL N N 49 114.967 114.967 116.499 -1.532 18325
2227 1 5 . 1 1 49 49 VAL HA H 49 4.356 4.356 3.698 0.658 18325
2228 1 5 . 1 1 49 49 VAL C C 49 175.807 175.807 176.248 -0.441 18325
2229 1 5 . 1 1 49 49 VAL CA C 49 62.064 62.064 63.827 -1.763 18325
2230 1 5 . 1 1 49 49 VAL CB C 49 31.110 31.110 31.123 -0.013 18325
2231 1 5 . 1 1 49 49 VAL H H 49 7.040 7.040 7.419 -0.379 18325
2232 1 5 . 1 1 50 50 ASN N N 50 119.765 119.765 116.846 2.919 18325
2233 1 5 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.534 0.600 18325
2234 1 5 . 1 1 50 50 ASN C C 50 176.473 176.473 175.929 0.544 18325
2235 1 5 . 1 1 50 50 ASN CA C 50 53.454 53.454 54.788 -1.334 18325
2236 1 5 . 1 1 50 50 ASN CB C 50 40.815 40.815 39.781 1.034 18325
2237 1 5 . 1 1 50 50 ASN H H 50 7.364 7.364 7.604 -0.240 18325
2238 1 5 . 1 1 51 51 GLY N N 51 110.407 110.407 105.557 4.850 18325
2239 1 5 . 1 1 51 51 GLY C C 51 174.967 174.967 173.565 1.402 18325
2240 1 5 . 1 1 51 51 GLY CA C 51 47.543 47.543 44.912 2.631 18325
2241 1 5 . 1 1 51 51 GLY H H 51 8.546 8.546 8.229 0.317 18325
2242 1 5 . 1 1 52 52 GLY N N 52 106.482 106.482 109.979 -3.497 18325
2243 1 5 . 1 1 52 52 GLY C C 52 174.134 174.134 174.573 -0.439 18325
2244 1 5 . 1 1 52 52 GLY CA C 52 44.424 44.424 44.939 -0.515 18325
2245 1 5 . 1 1 52 52 GLY H H 52 8.810 8.810 8.405 0.405 18325
2246 1 5 . 1 1 53 53 ASN N N 53 119.129 119.129 118.329 0.800 18325
2247 1 5 . 1 1 53 53 ASN HA H 53 4.738 4.738 4.891 -0.153 18325
2248 1 5 . 1 1 53 53 ASN C C 53 174.828 174.828 174.644 0.184 18325
2249 1 5 . 1 1 53 53 ASN CA C 53 52.654 52.654 52.146 0.508 18325
2250 1 5 . 1 1 53 53 ASN CB C 53 40.237 40.237 39.981 0.256 18325
2251 1 5 . 1 1 53 53 ASN H H 53 7.330 7.330 7.972 -0.642 18325
2252 1 5 . 1 1 54 54 ARG N N 54 125.094 125.094 122.471 2.623 18325
2253 1 5 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.477 -0.343 18325
2254 1 5 . 1 1 54 54 ARG C C 54 174.863 174.863 175.826 -0.963 18325
2255 1 5 . 1 1 54 54 ARG CA C 54 55.132 55.132 56.498 -1.365 18325
2256 1 5 . 1 1 54 54 ARG CB C 54 27.409 27.409 31.126 -3.717 18325
2257 1 5 . 1 1 54 54 ARG H H 54 8.826 8.826 8.546 0.280 18325
2258 1 5 . 1 1 55 55 THR N N 55 117.920 117.920 118.449 -0.529 18325
2259 1 5 . 1 1 55 55 THR HA H 55 4.020 4.020 4.772 -0.752 18325
2260 1 5 . 1 1 55 55 THR C C 55 172.459 172.459 174.066 -1.607 18325
2261 1 5 . 1 1 55 55 THR CA C 55 63.451 63.451 60.570 2.881 18325
2262 1 5 . 1 1 55 55 THR CB C 55 69.158 69.158 71.835 -2.677 18325
2263 1 5 . 1 1 55 55 THR H H 55 6.994 6.994 9.054 -2.060 18325
2264 1 5 . 1 1 56 56 VAL N N 56 117.300 117.300 122.167 -4.867 18325
2265 1 5 . 1 1 56 56 VAL HA H 56 4.735 4.735 4.320 0.415 18325
2266 1 5 . 1 1 56 56 VAL CA C 56 56.872 56.872 65.098 -8.226 18325
2267 1 5 . 1 1 56 56 VAL CB C 56 34.378 34.378 30.433 3.946 18325
2268 1 5 . 1 1 56 56 VAL H H 56 8.172 8.172 9.145 -0.973 18325
2269 1 5 . 1 1 57 57 PRO HA H 57 5.350 5.350 4.861 0.489 18325
2270 1 5 . 1 1 57 57 PRO C C 57 176.879 176.879 175.583 1.296 18325
2271 1 5 . 1 1 57 57 PRO CA C 57 62.246 62.246 62.650 -0.404 18325
2272 1 5 . 1 1 57 57 PRO CB C 57 34.293 34.293 29.850 4.443 18325
2273 1 5 . 1 1 58 58 THR N N 58 120.440 120.440 121.134 -0.694 18325
2274 1 5 . 1 1 58 58 THR HA H 58 5.042 5.042 5.169 -0.127 18325
2275 1 5 . 1 1 58 58 THR C C 58 172.321 172.321 172.841 -0.520 18325
2276 1 5 . 1 1 58 58 THR CA C 58 63.449 63.449 61.515 1.934 18325
2277 1 5 . 1 1 58 58 THR CB C 58 71.892 71.892 71.841 0.051 18325
2278 1 5 . 1 1 58 58 THR H H 58 7.948 7.948 8.401 -0.453 18325
2279 1 5 . 1 1 59 59 VAL N N 59 126.444 126.444 126.394 0.050 18325
2280 1 5 . 1 1 59 59 VAL HA H 59 5.095 5.095 4.841 0.254 18325
2281 1 5 . 1 1 59 59 VAL C C 59 173.176 173.176 173.253 -0.077 18325
2282 1 5 . 1 1 59 59 VAL CA C 59 60.133 60.133 59.267 0.866 18325
2283 1 5 . 1 1 59 59 VAL CB C 59 34.117 34.117 34.800 -0.683 18325
2284 1 5 . 1 1 59 59 VAL H H 59 9.428 9.428 9.273 0.155 18325
2285 1 5 . 1 1 60 60 LYS N N 60 126.183 126.183 129.845 -3.662 18325
2286 1 5 . 1 1 60 60 LYS HA H 60 5.379 5.379 5.083 0.296 18325
2287 1 5 . 1 1 60 60 LYS C C 60 175.404 175.404 175.448 -0.044 18325
2288 1 5 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.648 -0.037 18325
2289 1 5 . 1 1 60 60 LYS CB C 60 37.601 37.601 34.335 3.266 18325
2290 1 5 . 1 1 60 60 LYS H H 60 9.214 9.214 8.974 0.240 18325
2291 1 5 . 1 1 61 61 PHE N N 61 126.709 126.709 124.574 2.135 18325
2292 1 5 . 1 1 61 61 PHE HA H 61 4.736 4.736 5.147 -0.411 18325
2293 1 5 . 1 1 61 61 PHE C C 61 178.102 178.102 177.422 0.680 18325
2294 1 5 . 1 1 61 61 PHE CA C 61 58.048 58.048 57.602 0.446 18325
2295 1 5 . 1 1 61 61 PHE CB C 61 41.221 41.221 40.755 0.466 18325
2296 1 5 . 1 1 61 61 PHE H H 61 9.069 9.069 9.463 -0.394 18325
2297 1 5 . 1 1 62 62 ALA N N 62 123.358 123.358 125.208 -1.850 18325
2298 1 5 . 1 1 62 62 ALA HA H 62 4.134 4.134 4.099 0.035 18325
2299 1 5 . 1 1 62 62 ALA C C 62 177.754 177.754 177.892 -0.138 18325
2300 1 5 . 1 1 62 62 ALA CA C 62 54.940 54.940 54.741 0.199 18325
2301 1 5 . 1 1 62 62 ALA CB C 62 19.243 19.243 18.477 0.766 18325
2302 1 5 . 1 1 62 62 ALA H H 62 9.728 9.728 8.642 1.086 18325
2303 1 5 . 1 1 63 63 ASP N N 63 113.412 113.412 116.826 -3.414 18325
2304 1 5 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.510 0.076 18325
2305 1 5 . 1 1 63 63 ASP C C 63 177.032 177.032 177.332 -0.300 18325
2306 1 5 . 1 1 63 63 ASP CA C 63 53.141 53.141 54.565 -1.424 18325
2307 1 5 . 1 1 63 63 ASP CB C 63 40.040 40.040 41.065 -1.025 18325
2308 1 5 . 1 1 63 63 ASP H H 63 7.675 7.675 8.103 -0.428 18325
2309 1 5 . 1 1 64 64 GLY N N 64 109.285 109.285 107.526 1.759 18325
2310 1 5 . 1 1 64 64 GLY C C 64 173.680 173.680 174.276 -0.596 18325
2311 1 5 . 1 1 64 64 GLY CA C 64 45.328 45.328 44.869 0.459 18325
2312 1 5 . 1 1 64 64 GLY H H 64 8.361 8.361 8.006 0.355 18325
2313 1 5 . 1 1 65 65 SER N N 65 117.733 117.733 117.383 0.350 18325
2314 1 5 . 1 1 65 65 SER HA H 65 4.567 4.567 4.586 -0.019 18325
2315 1 5 . 1 1 65 65 SER C C 65 173.595 173.595 174.194 -0.599 18325
2316 1 5 . 1 1 65 65 SER CA C 65 58.964 58.964 59.507 -0.543 18325
2317 1 5 . 1 1 65 65 SER CB C 65 64.637 64.637 63.742 0.895 18325
2318 1 5 . 1 1 65 65 SER H H 65 8.287 8.287 8.131 0.156 18325
2319 1 5 . 1 1 66 66 THR N N 66 106.725 106.725 115.006 -8.281 18325
2320 1 5 . 1 1 66 66 THR HA H 66 6.250 6.250 5.439 0.811 18325
2321 1 5 . 1 1 66 66 THR C C 66 175.730 175.730 174.124 1.606 18325
2322 1 5 . 1 1 66 66 THR CA C 66 59.494 59.494 60.313 -0.819 18325
2323 1 5 . 1 1 66 66 THR CB C 66 73.049 73.049 71.361 1.688 18325
2324 1 5 . 1 1 66 66 THR H H 66 8.221 8.221 8.282 -0.061 18325
2325 1 5 . 1 1 67 67 LEU N N 67 117.517 117.517 126.221 -8.704 18325
2326 1 5 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.790 0.078 18325
2327 1 5 . 1 1 67 67 LEU C C 67 176.030 176.030 175.697 0.333 18325
2328 1 5 . 1 1 67 67 LEU CA C 67 54.768 54.768 54.439 0.329 18325
2329 1 5 . 1 1 67 67 LEU CB C 67 47.406 47.406 45.785 1.621 18325
2330 1 5 . 1 1 67 67 LEU H H 67 8.763 8.763 9.286 -0.523 18325
2331 1 5 . 1 1 68 68 THR N N 68 120.988 120.988 121.474 -0.486 18325
2332 1 5 . 1 1 68 68 THR HA H 68 4.616 4.616 4.503 0.113 18325
2333 1 5 . 1 1 68 68 THR C C 68 173.201 173.201 173.804 -0.603 18325
2334 1 5 . 1 1 68 68 THR CA C 68 62.802 62.802 62.495 0.307 18325
2335 1 5 . 1 1 68 68 THR CB C 68 69.226 69.226 69.258 -0.032 18325
2336 1 5 . 1 1 68 68 THR H H 68 9.226 9.226 8.652 0.574 18325
2337 1 5 . 1 1 69 69 ASN N N 69 122.679 122.679 122.452 0.227 18325
2338 1 5 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.443 -0.153 18325
2339 1 5 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.507 0.959 18325
2340 1 5 . 1 1 69 69 ASN CB C 69 38.731 38.731 37.568 1.163 18325
2341 1 5 . 1 1 69 69 ASN H H 69 9.097 9.097 8.433 0.664 18325
2342 1 5 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.615 0.254 18325
2343 1 5 . 1 1 70 70 PRO C C 70 177.239 177.239 175.884 1.355 18325
2344 1 5 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.156 0.901 18325
2345 1 5 . 1 1 70 70 PRO CB C 70 32.153 32.153 33.312 -1.159 18325
2346 1 5 . 1 1 71 71 SER N N 71 115.373 115.373 115.915 -0.542 18325
2347 1 5 . 1 1 71 71 SER HA H 71 4.620 4.620 4.598 0.022 18325
2348 1 5 . 1 1 71 71 SER C C 71 175.966 175.966 175.774 0.192 18325
2349 1 5 . 1 1 71 71 SER CA C 71 56.624 56.624 57.065 -0.441 18325
2350 1 5 . 1 1 71 71 SER CB C 71 65.562 65.562 64.783 0.779 18325
2351 1 5 . 1 1 71 71 SER H H 71 8.932 8.932 8.898 0.034 18325
2352 1 5 . 1 1 72 72 ALA N N 72 124.008 124.008 126.906 -2.898 18325
2353 1 5 . 1 1 72 72 ALA HA H 72 3.763 3.763 3.991 -0.228 18325
2354 1 5 . 1 1 72 72 ALA C C 72 179.550 179.550 179.382 0.168 18325
2355 1 5 . 1 1 72 72 ALA CA C 72 55.970 55.970 55.176 0.794 18325
2356 1 5 . 1 1 72 72 ALA CB C 72 17.873 17.873 18.511 -0.638 18325
2357 1 5 . 1 1 72 72 ALA H H 72 9.235 9.235 8.854 0.381 18325
2358 1 5 . 1 1 73 73 ASP N N 73 116.584 116.584 117.103 -0.519 18325
2359 1 5 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.343 -0.013 18325
2360 1 5 . 1 1 73 73 ASP C C 73 179.219 179.219 178.224 0.995 18325
2361 1 5 . 1 1 73 73 ASP CA C 73 57.583 57.583 57.299 0.284 18325
2362 1 5 . 1 1 73 73 ASP CB C 73 40.300 40.300 40.652 -0.352 18325
2363 1 5 . 1 1 73 73 ASP H H 73 8.277 8.277 8.806 -0.529 18325
2364 1 5 . 1 1 74 74 GLU N N 74 122.057 122.057 119.382 2.675 18325
2365 1 5 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.050 -0.035 18325
2366 1 5 . 1 1 74 74 GLU C C 74 180.045 180.045 179.020 1.025 18325
2367 1 5 . 1 1 74 74 GLU CA C 74 59.199 59.199 59.018 0.181 18325
2368 1 5 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.645 0.429 18325
2369 1 5 . 1 1 74 74 GLU H H 74 7.925 7.925 7.542 0.383 18325
2370 1 5 . 1 1 75 75 VAL N N 75 120.141 120.141 120.025 0.116 18325
2371 1 5 . 1 1 75 75 VAL HA H 75 3.681 3.681 3.805 -0.124 18325
2372 1 5 . 1 1 75 75 VAL C C 75 177.008 177.008 177.483 -0.475 18325
2373 1 5 . 1 1 75 75 VAL CA C 75 67.172 67.172 66.707 0.465 18325
2374 1 5 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.585 -0.349 18325
2375 1 5 . 1 1 75 75 VAL H H 75 7.885 7.885 7.995 -0.110 18325
2376 1 5 . 1 1 76 76 LYS N N 76 118.715 118.715 120.418 -1.703 18325
2377 1 5 . 1 1 76 76 LYS HA H 76 3.827 3.827 3.917 -0.090 18325
2378 1 5 . 1 1 76 76 LYS C C 76 178.105 178.105 178.424 -0.319 18325
2379 1 5 . 1 1 76 76 LYS CA C 76 60.397 60.397 59.862 0.535 18325
2380 1 5 . 1 1 76 76 LYS CB C 76 32.405 32.405 32.377 0.028 18325
2381 1 5 . 1 1 76 76 LYS H H 76 8.298 8.298 8.264 0.034 18325
2382 1 5 . 1 1 77 77 ALA N N 77 118.993 118.993 118.976 0.017 18325
2383 1 5 . 1 1 77 77 ALA HA H 77 4.031 4.031 4.069 -0.038 18325
2384 1 5 . 1 1 77 77 ALA C C 77 180.450 180.450 179.204 1.246 18325
2385 1 5 . 1 1 77 77 ALA CA C 77 54.820 54.820 54.681 0.139 18325
2386 1 5 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.420 -0.220 18325
2387 1 5 . 1 1 77 77 ALA H H 77 7.985 7.985 7.871 0.114 18325
2388 1 5 . 1 1 78 78 LYS N N 78 119.952 119.952 119.037 0.915 18325
2389 1 5 . 1 1 78 78 LYS HA H 78 3.975 3.975 4.119 -0.144 18325
2390 1 5 . 1 1 78 78 LYS C C 78 177.949 177.949 178.550 -0.601 18325
2391 1 5 . 1 1 78 78 LYS CA C 78 58.079 58.079 57.912 0.167 18325
2392 1 5 . 1 1 78 78 LYS CB C 78 31.342 31.342 31.886 -0.544 18325
2393 1 5 . 1 1 78 78 LYS H H 78 7.480 7.480 7.561 -0.081 18325
2394 1 5 . 1 1 79 79 LEU N N 79 118.729 118.729 120.428 -1.699 18325
2395 1 5 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.154 -0.118 18325
2396 1 5 . 1 1 79 79 LEU C C 79 180.234 180.234 179.415 0.819 18325
2397 1 5 . 1 1 79 79 LEU CA C 79 58.096 58.096 58.163 -0.067 18325
2398 1 5 . 1 1 79 79 LEU CB C 79 41.776 41.776 40.878 0.898 18325
2399 1 5 . 1 1 79 79 LEU H H 79 8.075 8.075 8.180 -0.105 18325
2400 1 5 . 1 1 80 80 VAL N N 80 118.567 118.567 115.101 3.466 18325
2401 1 5 . 1 1 80 80 VAL HA H 80 3.733 3.733 3.697 0.036 18325
2402 1 5 . 1 1 80 80 VAL C C 80 178.390 178.390 176.917 1.473 18325
2403 1 5 . 1 1 80 80 VAL CA C 80 65.895 65.895 66.458 -0.563 18325
2404 1 5 . 1 1 80 80 VAL CB C 80 31.961 31.961 30.923 1.038 18325
2405 1 5 . 1 1 80 80 VAL H H 80 7.867 7.867 7.701 0.166 18325
2406 1 5 . 1 1 81 81 LYS N N 81 121.106 121.106 119.794 1.312 18325
2407 1 5 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.421 -0.329 18325
2408 1 5 . 1 1 81 81 LYS C C 81 179.434 179.434 179.189 0.245 18325
2409 1 5 . 1 1 81 81 LYS CA C 81 58.943 58.943 58.468 0.475 18325
2410 1 5 . 1 1 81 81 LYS CB C 81 32.497 32.497 32.497 0.000 18325
2411 1 5 . 1 1 81 81 LYS H H 81 7.565 7.565 7.181 0.384 18325
2412 1 5 . 1 1 82 82 ILE N N 82 117.365 117.365 115.952 1.413 18325
2413 1 5 . 1 1 82 82 ILE HA H 82 3.953 3.953 4.008 -0.055 18325
2414 1 5 . 1 1 82 82 ILE C C 82 177.482 177.482 176.462 1.020 18325
2415 1 5 . 1 1 82 82 ILE CA C 82 63.598 63.598 62.464 1.135 18325
2416 1 5 . 1 1 82 82 ILE CB C 82 38.372 38.372 37.301 1.071 18325
2417 1 5 . 1 1 82 82 ILE H H 82 8.124 8.124 8.479 -0.355 18325
2418 1 5 . 1 1 83 83 ALA N N 83 123.334 123.334 121.069 2.265 18325
2419 1 5 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.341 -0.062 18325
2420 1 5 . 1 1 83 83 ALA C C 83 179.104 179.104 178.399 0.705 18325
2421 1 5 . 1 1 83 83 ALA CA C 83 53.851 53.851 52.239 1.612 18325
2422 1 5 . 1 1 83 83 ALA CB C 83 18.769 18.769 19.409 -0.640 18325
2423 1 5 . 1 1 83 83 ALA H H 83 7.867 7.867 7.462 0.405 18325
2424 1 5 . 1 1 84 84 GLY N N 84 105.962 105.962 106.834 -0.872 18325
2425 1 5 . 1 1 84 84 GLY C C 84 174.779 174.779 173.351 1.428 18325
2426 1 5 . 1 1 84 84 GLY CA C 84 45.847 45.847 45.566 0.281 18325
2427 1 5 . 1 1 84 84 GLY H H 84 8.019 8.019 7.811 0.208 18325
2428 1 5 . 1 1 85 85 LEU N N 85 120.702 120.702 120.228 0.474 18325
2429 1 5 . 1 1 85 85 LEU HA H 85 4.275 4.275 4.416 -0.141 18325
2430 1 5 . 1 1 85 85 LEU C C 85 177.609 177.609 176.984 0.625 18325
2431 1 5 . 1 1 85 85 LEU CA C 85 55.511 55.511 55.720 -0.209 18325
2432 1 5 . 1 1 85 85 LEU CB C 85 42.449 42.449 42.865 -0.416 18325
2433 1 5 . 1 1 85 85 LEU H H 85 7.727 7.727 7.431 0.295 18325
2434 1 5 . 1 1 86 86 GLU N N 86 120.386 120.386 118.213 2.173 18325
2435 1 5 . 1 1 86 86 GLU HA H 86 4.154 4.154 4.284 -0.130 18325
2436 1 5 . 1 1 86 86 GLU C C 86 176.359 176.359 175.506 0.853 18325
2437 1 5 . 1 1 86 86 GLU CA C 86 56.941 56.941 56.853 0.088 18325
2438 1 5 . 1 1 86 86 GLU CB C 86 30.180 30.180 30.666 -0.485 18325
2439 1 5 . 1 1 86 86 GLU H H 86 8.238 8.238 7.997 0.241 18325
2440 1 5 . 1 1 87 87 HIS N N 87 119.393 119.393 116.585 2.808 18325
2441 1 5 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.667 -0.077 18325
2442 1 5 . 1 1 87 87 HIS C C 87 174.000 174.000 172.555 1.445 18325
2443 1 5 . 1 1 87 87 HIS CA C 87 56.146 56.146 55.720 0.426 18325
2444 1 5 . 1 1 87 87 HIS CB C 87 30.335 30.335 32.008 -1.673 18325
2445 1 5 . 1 1 87 87 HIS H H 87 8.177 8.177 7.721 0.456 18325
2446 1 6 . 1 1 2 2 VAL HA H 2 4.195 4.195 4.070 0.125 18325
2447 1 6 . 1 1 2 2 VAL C C 2 175.805 175.805 175.320 0.485 18325
2448 1 6 . 1 1 2 2 VAL CA C 2 62.388 62.388 63.479 -1.091 18325
2449 1 6 . 1 1 2 2 VAL CB C 2 32.777 32.777 30.898 1.879 18325
2450 1 6 . 1 1 3 3 THR N N 3 119.229 119.229 119.551 -0.322 18325
2451 1 6 . 1 1 3 3 THR HA H 3 4.259 4.259 4.357 -0.098 18325
2452 1 6 . 1 1 3 3 THR C C 3 173.761 173.761 173.191 0.570 18325
2453 1 6 . 1 1 3 3 THR CA C 3 61.673 61.673 61.261 0.412 18325
2454 1 6 . 1 1 3 3 THR CB C 3 69.846 69.846 69.192 0.654 18325
2455 1 6 . 1 1 3 3 THR H H 3 8.256 8.256 8.016 0.240 18325
2456 1 6 . 1 1 4 4 ALA N N 4 126.635 126.635 123.151 3.484 18325
2457 1 6 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.546 -0.392 18325
2458 1 6 . 1 1 4 4 ALA C C 4 177.002 177.002 176.208 0.794 18325
2459 1 6 . 1 1 4 4 ALA CA C 4 52.159 52.159 51.563 0.596 18325
2460 1 6 . 1 1 4 4 ALA CB C 4 19.512 19.512 20.754 -1.242 18325
2461 1 6 . 1 1 4 4 ALA H H 4 8.367 8.367 7.354 1.013 18325
2462 1 6 . 1 1 5 5 ALA N N 5 123.621 123.621 124.188 -0.567 18325
2463 1 6 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.421 -0.154 18325
2464 1 6 . 1 1 5 5 ALA C C 5 176.288 176.288 176.396 -0.108 18325
2465 1 6 . 1 1 5 5 ALA CA C 5 52.894 52.894 52.727 0.168 18325
2466 1 6 . 1 1 5 5 ALA CB C 5 19.494 19.494 19.881 -0.387 18325
2467 1 6 . 1 1 5 5 ALA H H 5 8.374 8.374 8.820 -0.446 18325
2468 1 6 . 1 1 6 6 LEU N N 6 115.731 115.731 113.003 2.728 18325
2469 1 6 . 1 1 6 6 LEU HA H 6 4.648 4.648 5.249 -0.601 18325
2470 1 6 . 1 1 6 6 LEU C C 6 175.007 175.007 175.105 -0.098 18325
2471 1 6 . 1 1 6 6 LEU CA C 6 54.263 54.263 52.477 1.786 18325
2472 1 6 . 1 1 6 6 LEU CB C 6 44.224 44.224 43.828 0.396 18325
2473 1 6 . 1 1 6 6 LEU H H 6 7.478 7.478 7.444 0.034 18325
2474 1 6 . 1 1 7 7 THR N N 7 119.383 119.383 120.551 -1.168 18325
2475 1 6 . 1 1 7 7 THR HA H 7 4.906 4.906 4.944 -0.038 18325
2476 1 6 . 1 1 7 7 THR C C 7 172.657 172.657 173.849 -1.192 18325
2477 1 6 . 1 1 7 7 THR CA C 7 61.586 61.586 62.212 -0.626 18325
2478 1 6 . 1 1 7 7 THR CB C 7 70.917 70.917 69.154 1.763 18325
2479 1 6 . 1 1 7 7 THR H H 7 8.342 8.342 8.966 -0.624 18325
2480 1 6 . 1 1 8 8 ILE N N 8 124.711 124.711 126.765 -2.054 18325
2481 1 6 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.539 0.036 18325
2482 1 6 . 1 1 8 8 ILE C C 8 172.650 172.650 174.648 -1.998 18325
2483 1 6 . 1 1 8 8 ILE CA C 8 59.206 59.206 59.981 -0.775 18325
2484 1 6 . 1 1 8 8 ILE CB C 8 40.150 40.150 40.370 -0.220 18325
2485 1 6 . 1 1 8 8 ILE H H 8 9.050 9.050 9.006 0.044 18325
2486 1 6 . 1 1 9 9 TYR N N 9 128.517 128.517 126.919 1.598 18325
2487 1 6 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.717 0.708 18325
2488 1 6 . 1 1 9 9 TYR C C 9 176.445 176.445 174.969 1.476 18325
2489 1 6 . 1 1 9 9 TYR CA C 9 57.397 57.397 58.059 -0.662 18325
2490 1 6 . 1 1 9 9 TYR CB C 9 39.232 39.232 37.733 1.499 18325
2491 1 6 . 1 1 9 9 TYR H H 9 9.094 9.094 9.039 0.055 18325
2492 1 6 . 1 1 10 10 THR N N 10 112.214 112.214 115.242 -3.028 18325
2493 1 6 . 1 1 10 10 THR HA H 10 4.778 4.778 4.687 0.091 18325
2494 1 6 . 1 1 10 10 THR C C 10 173.410 173.410 173.362 0.048 18325
2495 1 6 . 1 1 10 10 THR CA C 10 59.893 59.893 59.805 0.088 18325
2496 1 6 . 1 1 10 10 THR CB C 10 72.063 72.063 71.002 1.060 18325
2497 1 6 . 1 1 10 10 THR H H 10 8.824 8.824 8.039 0.785 18325
2498 1 6 . 1 1 11 11 THR N N 11 103.866 103.866 113.544 -9.678 18325
2499 1 6 . 1 1 11 11 THR HA H 11 4.585 4.585 4.650 -0.065 18325
2500 1 6 . 1 1 11 11 THR C C 11 176.335 176.335 173.967 2.368 18325
2501 1 6 . 1 1 11 11 THR CA C 11 60.389 60.389 61.531 -1.142 18325
2502 1 6 . 1 1 11 11 THR CB C 11 72.584 72.584 71.972 0.612 18325
2503 1 6 . 1 1 11 11 THR H H 11 6.667 6.667 7.934 -1.267 18325
2504 1 6 . 1 1 12 12 SER N N 12 116.991 116.991 119.221 -2.230 18325
2505 1 6 . 1 1 12 12 SER HA H 12 4.134 4.134 4.325 -0.191 18325
2506 1 6 . 1 1 12 12 SER C C 12 174.863 174.863 174.599 0.264 18325
2507 1 6 . 1 1 12 12 SER CA C 12 61.183 61.183 61.890 -0.707 18325
2508 1 6 . 1 1 12 12 SER CB C 12 62.845 62.845 63.359 -0.514 18325
2509 1 6 . 1 1 12 12 SER H H 12 9.561 9.561 9.377 0.184 18325
2510 1 6 . 1 1 13 13 TRP N N 13 117.675 117.675 122.217 -4.542 18325
2511 1 6 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.574 0.201 18325
2512 1 6 . 1 1 13 13 TRP C C 13 175.144 175.144 175.135 0.009 18325
2513 1 6 . 1 1 13 13 TRP CA C 13 54.555 54.555 56.609 -2.054 18325
2514 1 6 . 1 1 13 13 TRP CB C 13 28.292 28.292 28.990 -0.698 18325
2515 1 6 . 1 1 13 13 TRP H H 13 6.996 6.996 7.648 -0.652 18325
2516 1 6 . 1 1 14 14 CYS N N 14 120.513 120.513 128.456 -7.943 18325
2517 1 6 . 1 1 14 14 CYS HA H 14 4.498 4.498 4.609 -0.111 18325
2518 1 6 . 1 1 14 14 CYS CA C 14 53.859 53.859 58.438 -4.579 18325
2519 1 6 . 1 1 14 14 CYS CB C 14 44.419 44.419 28.535 15.884 18325
2520 1 6 . 1 1 14 14 CYS H H 14 6.755 6.755 8.393 -1.638 18325
2521 1 6 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.419 -0.042 18325
2522 1 6 . 1 1 16 16 TYR C C 16 177.495 177.495 177.701 -0.206 18325
2523 1 6 . 1 1 16 16 TYR CA C 16 60.662 60.662 59.970 0.692 18325
2524 1 6 . 1 1 16 16 TYR CB C 16 37.852 37.852 38.298 -0.446 18325
2525 1 6 . 1 1 17 17 CYS N N 17 114.160 114.160 116.437 -2.277 18325
2526 1 6 . 1 1 17 17 CYS HA H 17 3.923 3.923 4.227 -0.304 18325
2527 1 6 . 1 1 17 17 CYS C C 17 174.680 174.680 176.459 -1.779 18325
2528 1 6 . 1 1 17 17 CYS CA C 17 65.302 65.302 59.801 5.501 18325
2529 1 6 . 1 1 17 17 CYS CB C 17 33.986 33.986 25.736 8.249 18325
2530 1 6 . 1 1 17 17 CYS H H 17 8.495 8.495 8.544 -0.049 18325
2531 1 6 . 1 1 18 18 LEU N N 18 119.295 119.295 122.903 -3.608 18325
2532 1 6 . 1 1 18 18 LEU HA H 18 4.031 4.031 3.993 0.038 18325
2533 1 6 . 1 1 18 18 LEU C C 18 179.001 179.001 178.373 0.628 18325
2534 1 6 . 1 1 18 18 LEU CA C 18 58.234 58.234 57.508 0.726 18325
2535 1 6 . 1 1 18 18 LEU CB C 18 41.205 41.205 40.991 0.214 18325
2536 1 6 . 1 1 18 18 LEU H H 18 7.311 7.311 7.721 -0.410 18325
2537 1 6 . 1 1 19 19 ARG N N 19 119.771 119.771 118.795 0.976 18325
2538 1 6 . 1 1 19 19 ARG HA H 19 3.998 3.998 3.905 0.093 18325
2539 1 6 . 1 1 19 19 ARG C C 19 178.949 178.949 178.727 0.222 18325
2540 1 6 . 1 1 19 19 ARG CA C 19 59.597 59.597 59.376 0.221 18325
2541 1 6 . 1 1 19 19 ARG CB C 19 30.006 30.006 29.688 0.318 18325
2542 1 6 . 1 1 19 19 ARG H H 19 7.469 7.469 7.513 -0.044 18325
2543 1 6 . 1 1 20 20 LEU N N 20 120.802 120.802 118.887 1.915 18325
2544 1 6 . 1 1 20 20 LEU HA H 20 4.097 4.097 4.148 -0.051 18325
2545 1 6 . 1 1 20 20 LEU C C 20 177.928 177.928 177.668 0.260 18325
2546 1 6 . 1 1 20 20 LEU CA C 20 57.757 57.757 57.125 0.632 18325
2547 1 6 . 1 1 20 20 LEU CB C 20 40.940 40.940 41.956 -1.016 18325
2548 1 6 . 1 1 20 20 LEU H H 20 8.150 8.150 7.362 0.788 18325
2549 1 6 . 1 1 21 21 LYS N N 21 117.910 117.910 119.826 -1.916 18325
2550 1 6 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.540 -0.260 18325
2551 1 6 . 1 1 21 21 LYS C C 21 178.851 178.851 178.826 0.025 18325
2552 1 6 . 1 1 21 21 LYS CA C 21 61.353 61.353 60.187 1.167 18325
2553 1 6 . 1 1 21 21 LYS CB C 21 31.698 31.698 32.115 -0.417 18325
2554 1 6 . 1 1 21 21 LYS H H 21 7.854 7.854 7.979 -0.125 18325
2555 1 6 . 1 1 22 22 THR N N 22 115.451 115.451 113.476 1.975 18325
2556 1 6 . 1 1 22 22 THR HA H 22 3.889 3.889 4.162 -0.273 18325
2557 1 6 . 1 1 22 22 THR C C 22 176.571 176.571 175.763 0.808 18325
2558 1 6 . 1 1 22 22 THR CA C 22 66.849 66.849 65.492 1.357 18325
2559 1 6 . 1 1 22 22 THR CB C 22 68.793 68.793 68.484 0.309 18325
2560 1 6 . 1 1 22 22 THR H H 22 8.125 8.125 8.117 0.008 18325
2561 1 6 . 1 1 23 23 ALA N N 23 125.218 125.218 124.361 0.857 18325
2562 1 6 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.165 0.109 18325
2563 1 6 . 1 1 23 23 ALA C C 23 180.948 180.948 179.871 1.077 18325
2564 1 6 . 1 1 23 23 ALA CA C 23 55.003 55.003 54.882 0.121 18325
2565 1 6 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.112 0.730 18325
2566 1 6 . 1 1 23 23 ALA H H 23 7.892 7.892 7.250 0.642 18325
2567 1 6 . 1 1 24 24 LEU N N 24 120.007 120.007 117.943 2.064 18325
2568 1 6 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.922 0.096 18325
2569 1 6 . 1 1 24 24 LEU C C 24 179.738 179.738 179.277 0.461 18325
2570 1 6 . 1 1 24 24 LEU CA C 24 58.807 58.807 57.797 1.010 18325
2571 1 6 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.550 -1.736 18325
2572 1 6 . 1 1 24 24 LEU H H 24 8.775 8.775 8.223 0.552 18325
2573 1 6 . 1 1 25 25 THR N N 25 118.777 118.777 115.946 2.831 18325
2574 1 6 . 1 1 25 25 THR HA H 25 4.175 4.175 4.091 0.084 18325
2575 1 6 . 1 1 25 25 THR C C 25 178.539 178.539 177.022 1.517 18325
2576 1 6 . 1 1 25 25 THR CA C 25 67.138 67.138 66.523 0.615 18325
2577 1 6 . 1 1 25 25 THR CB C 25 68.679 68.679 68.559 0.120 18325
2578 1 6 . 1 1 25 25 THR H H 25 8.636 8.636 7.817 0.819 18325
2579 1 6 . 1 1 26 26 ALA N N 26 126.122 126.122 122.611 3.511 18325
2580 1 6 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.288 -0.100 18325
2581 1 6 . 1 1 26 26 ALA C C 26 178.536 178.536 178.051 0.485 18325
2582 1 6 . 1 1 26 26 ALA CA C 26 55.134 55.134 53.938 1.196 18325
2583 1 6 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.293 -0.406 18325
2584 1 6 . 1 1 26 26 ALA H H 26 8.357 8.357 8.034 0.323 18325
2585 1 6 . 1 1 27 27 ASN N N 27 114.755 114.755 115.170 -0.415 18325
2586 1 6 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.901 -0.204 18325
2587 1 6 . 1 1 27 27 ASN C C 27 172.751 172.751 174.565 -1.814 18325
2588 1 6 . 1 1 27 27 ASN CA C 27 53.712 53.712 52.666 1.046 18325
2589 1 6 . 1 1 27 27 ASN CB C 27 40.648 40.648 39.620 1.028 18325
2590 1 6 . 1 1 27 27 ASN H H 27 7.456 7.456 7.531 -0.075 18325
2591 1 6 . 1 1 28 28 ARG N N 28 115.444 115.444 115.070 0.374 18325
2592 1 6 . 1 1 28 28 ARG HA H 28 3.934 3.934 3.888 0.046 18325
2593 1 6 . 1 1 28 28 ARG C C 28 175.075 175.075 175.142 -0.067 18325
2594 1 6 . 1 1 28 28 ARG CA C 28 57.091 57.091 57.451 -0.360 18325
2595 1 6 . 1 1 28 28 ARG CB C 28 26.393 26.393 27.343 -0.950 18325
2596 1 6 . 1 1 28 28 ARG H H 28 8.183 8.183 7.750 0.433 18325
2597 1 6 . 1 1 29 29 ILE N N 29 120.976 120.976 120.877 0.099 18325
2598 1 6 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.194 -0.115 18325
2599 1 6 . 1 1 29 29 ILE C C 29 175.050 175.050 174.598 0.452 18325
2600 1 6 . 1 1 29 29 ILE CA C 29 60.664 60.664 61.043 -0.379 18325
2601 1 6 . 1 1 29 29 ILE CB C 29 38.695 38.695 38.282 0.413 18325
2602 1 6 . 1 1 29 29 ILE H H 29 8.004 8.004 8.123 -0.119 18325
2603 1 6 . 1 1 30 30 ALA N N 30 131.099 131.099 130.935 0.164 18325
2604 1 6 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.472 -0.304 18325
2605 1 6 . 1 1 30 30 ALA C C 30 176.360 176.360 176.082 0.278 18325
2606 1 6 . 1 1 30 30 ALA CA C 30 51.819 51.819 51.246 0.573 18325
2607 1 6 . 1 1 30 30 ALA CB C 30 19.641 19.641 20.564 -0.923 18325
2608 1 6 . 1 1 30 30 ALA H H 30 8.329 8.329 8.491 -0.162 18325
2609 1 6 . 1 1 31 31 TYR N N 31 114.363 114.363 118.368 -4.005 18325
2610 1 6 . 1 1 31 31 TYR HA H 31 5.133 5.133 5.242 -0.109 18325
2611 1 6 . 1 1 31 31 TYR C C 31 173.470 173.470 173.685 -0.215 18325
2612 1 6 . 1 1 31 31 TYR CA C 31 55.522 55.522 55.190 0.332 18325
2613 1 6 . 1 1 31 31 TYR CB C 31 41.184 41.184 40.497 0.687 18325
2614 1 6 . 1 1 31 31 TYR H H 31 7.509 7.509 7.573 -0.064 18325
2615 1 6 . 1 1 32 32 ASP N N 32 120.754 120.754 121.518 -0.764 18325
2616 1 6 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.910 0.016 18325
2617 1 6 . 1 1 32 32 ASP C C 32 174.611 174.611 174.899 -0.288 18325
2618 1 6 . 1 1 32 32 ASP CA C 32 52.875 52.875 52.823 0.052 18325
2619 1 6 . 1 1 32 32 ASP CB C 32 42.843 42.843 43.724 -0.881 18325
2620 1 6 . 1 1 32 32 ASP H H 32 8.517 8.517 8.652 -0.135 18325
2621 1 6 . 1 1 33 33 GLU N N 33 124.650 124.650 123.858 0.792 18325
2622 1 6 . 1 1 33 33 GLU HA H 33 5.205 5.205 5.269 -0.064 18325
2623 1 6 . 1 1 33 33 GLU C C 33 175.049 175.049 175.918 -0.869 18325
2624 1 6 . 1 1 33 33 GLU CA C 33 54.489 54.489 54.716 -0.227 18325
2625 1 6 . 1 1 33 33 GLU CB C 33 32.425 32.425 31.124 1.301 18325
2626 1 6 . 1 1 33 33 GLU H H 33 8.836 8.836 8.587 0.249 18325
2627 1 6 . 1 1 34 34 VAL N N 34 128.112 128.112 122.979 5.133 18325
2628 1 6 . 1 1 34 34 VAL HA H 34 4.062 4.062 4.134 -0.072 18325
2629 1 6 . 1 1 34 34 VAL C C 34 173.620 173.620 176.989 -3.369 18325
2630 1 6 . 1 1 34 34 VAL CA C 34 61.427 61.427 61.353 0.074 18325
2631 1 6 . 1 1 34 34 VAL CB C 34 34.690 34.690 32.422 2.268 18325
2632 1 6 . 1 1 34 34 VAL H H 34 8.615 8.615 8.491 0.124 18325
2633 1 6 . 1 1 35 35 ASP N N 35 127.319 127.319 124.952 2.367 18325
2634 1 6 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.377 0.560 18325
2635 1 6 . 1 1 35 35 ASP C C 35 179.260 179.260 177.742 1.518 18325
2636 1 6 . 1 1 35 35 ASP CA C 35 61.428 61.428 56.154 5.274 18325
2637 1 6 . 1 1 35 35 ASP CB C 35 41.858 41.858 41.059 0.799 18325
2638 1 6 . 1 1 35 35 ASP H H 35 8.458 8.458 8.936 -0.478 18325
2639 1 6 . 1 1 36 36 ILE N N 36 119.537 119.537 114.533 5.004 18325
2640 1 6 . 1 1 36 36 ILE HA H 36 4.360 4.360 4.040 0.320 18325
2641 1 6 . 1 1 36 36 ILE C C 36 176.943 176.943 176.898 0.045 18325
2642 1 6 . 1 1 36 36 ILE CA C 36 63.681 63.681 63.706 -0.025 18325
2643 1 6 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.280 0.357 18325
2644 1 6 . 1 1 36 36 ILE H H 36 8.833 8.833 8.010 0.823 18325
2645 1 6 . 1 1 37 37 GLU N N 37 122.074 122.074 117.570 4.504 18325
2646 1 6 . 1 1 37 37 GLU HA H 37 4.131 4.131 4.090 0.041 18325
2647 1 6 . 1 1 37 37 GLU C C 37 177.224 177.224 177.371 -0.147 18325
2648 1 6 . 1 1 37 37 GLU CA C 37 58.503 58.503 58.519 -0.016 18325
2649 1 6 . 1 1 37 37 GLU CB C 37 29.312 29.312 29.596 -0.284 18325
2650 1 6 . 1 1 37 37 GLU H H 37 8.815 8.815 8.241 0.574 18325
2651 1 6 . 1 1 38 38 HIS N N 38 114.611 114.611 116.900 -2.289 18325
2652 1 6 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.741 0.105 18325
2653 1 6 . 1 1 38 38 HIS C C 38 174.168 174.168 174.942 -0.774 18325
2654 1 6 . 1 1 38 38 HIS CA C 38 55.189 55.189 57.321 -2.132 18325
2655 1 6 . 1 1 38 38 HIS CB C 38 30.936 30.936 31.464 -0.528 18325
2656 1 6 . 1 1 38 38 HIS H H 38 7.661 7.661 8.447 -0.786 18325
2657 1 6 . 1 1 39 39 ASN N N 39 117.944 117.944 119.483 -1.539 18325
2658 1 6 . 1 1 39 39 ASN HA H 39 4.900 4.900 4.767 0.133 18325
2659 1 6 . 1 1 39 39 ASN C C 39 173.626 173.626 176.009 -2.383 18325
2660 1 6 . 1 1 39 39 ASN CA C 39 52.634 52.634 52.245 0.389 18325
2661 1 6 . 1 1 39 39 ASN CB C 39 39.436 39.436 38.253 1.183 18325
2662 1 6 . 1 1 39 39 ASN H H 39 7.095 7.095 8.206 -1.111 18325
2663 1 6 . 1 1 40 40 ARG N N 40 126.603 126.603 126.746 -0.143 18325
2664 1 6 . 1 1 40 40 ARG HA H 40 4.142 4.142 4.168 -0.026 18325
2665 1 6 . 1 1 40 40 ARG C C 40 178.292 178.292 177.275 1.017 18325
2666 1 6 . 1 1 40 40 ARG CA C 40 59.371 59.371 59.107 0.264 18325
2667 1 6 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.694 0.225 18325
2668 1 6 . 1 1 40 40 ARG H H 40 8.750 8.750 8.160 0.590 18325
2669 1 6 . 1 1 41 41 ALA N N 41 122.148 122.148 122.896 -0.748 18325
2670 1 6 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.103 0.099 18325
2671 1 6 . 1 1 41 41 ALA C C 41 181.236 181.236 178.972 2.264 18325
2672 1 6 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.778 0.298 18325
2673 1 6 . 1 1 41 41 ALA CB C 41 17.795 17.795 18.153 -0.358 18325
2674 1 6 . 1 1 41 41 ALA H H 41 8.460 8.460 8.196 0.264 18325
2675 1 6 . 1 1 42 42 ALA N N 42 122.394 122.394 119.050 3.344 18325
2676 1 6 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.189 0.035 18325
2677 1 6 . 1 1 42 42 ALA C C 42 178.949 178.949 178.977 -0.028 18325
2678 1 6 . 1 1 42 42 ALA CA C 42 54.423 54.423 53.725 0.698 18325
2679 1 6 . 1 1 42 42 ALA CB C 42 19.786 19.786 18.840 0.946 18325
2680 1 6 . 1 1 42 42 ALA H H 42 7.973 7.973 7.901 0.072 18325
2681 1 6 . 1 1 43 43 ALA N N 43 120.965 120.965 122.490 -1.525 18325
2682 1 6 . 1 1 43 43 ALA HA H 43 3.788 3.788 4.044 -0.256 18325
2683 1 6 . 1 1 43 43 ALA C C 43 179.994 179.994 179.667 0.327 18325
2684 1 6 . 1 1 43 43 ALA CA C 43 56.189 56.189 55.187 1.002 18325
2685 1 6 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.306 -0.273 18325
2686 1 6 . 1 1 43 43 ALA H H 43 8.170 8.170 7.715 0.455 18325
2687 1 6 . 1 1 44 44 GLU N N 44 117.052 117.052 118.537 -1.485 18325
2688 1 6 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.018 -0.065 18325
2689 1 6 . 1 1 44 44 GLU C C 44 179.698 179.698 179.045 0.653 18325
2690 1 6 . 1 1 44 44 GLU CA C 44 58.934 58.934 58.846 0.088 18325
2691 1 6 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.470 -0.344 18325
2692 1 6 . 1 1 44 44 GLU H H 44 8.240 8.240 8.488 -0.248 18325
2693 1 6 . 1 1 45 45 PHE N N 45 122.282 122.282 120.576 1.706 18325
2694 1 6 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.252 -0.020 18325
2695 1 6 . 1 1 45 45 PHE C C 45 177.994 177.994 176.407 1.587 18325
2696 1 6 . 1 1 45 45 PHE CA C 45 61.170 61.170 60.931 0.239 18325
2697 1 6 . 1 1 45 45 PHE CB C 45 38.225 38.225 39.284 -1.059 18325
2698 1 6 . 1 1 45 45 PHE H H 45 8.068 8.068 7.502 0.566 18325
2699 1 6 . 1 1 46 46 VAL N N 46 120.442 120.442 119.231 1.211 18325
2700 1 6 . 1 1 46 46 VAL HA H 46 2.908 2.908 3.177 -0.269 18325
2701 1 6 . 1 1 46 46 VAL C C 46 178.852 178.852 177.804 1.048 18325
2702 1 6 . 1 1 46 46 VAL CA C 46 67.186 67.186 66.528 0.658 18325
2703 1 6 . 1 1 46 46 VAL CB C 46 31.143 31.143 31.140 0.003 18325
2704 1 6 . 1 1 46 46 VAL H H 46 8.363 8.363 7.799 0.564 18325
2705 1 6 . 1 1 47 47 GLY N N 47 105.864 105.864 105.667 0.197 18325
2706 1 6 . 1 1 47 47 GLY C C 47 176.759 176.759 175.240 1.519 18325
2707 1 6 . 1 1 47 47 GLY CA C 47 46.690 46.690 47.078 -0.388 18325
2708 1 6 . 1 1 47 47 GLY H H 47 8.187 8.187 8.293 -0.106 18325
2709 1 6 . 1 1 48 48 SER N N 48 118.796 118.796 115.812 2.984 18325
2710 1 6 . 1 1 48 48 SER HA H 48 4.201 4.201 4.323 -0.122 18325
2711 1 6 . 1 1 48 48 SER C C 48 176.571 176.571 175.820 0.751 18325
2712 1 6 . 1 1 48 48 SER CA C 48 61.440 61.440 60.394 1.046 18325
2713 1 6 . 1 1 48 48 SER CB C 48 62.661 62.661 63.178 -0.517 18325
2714 1 6 . 1 1 48 48 SER H H 48 8.045 8.045 7.303 0.742 18325
2715 1 6 . 1 1 49 49 VAL N N 49 114.967 114.967 119.331 -4.364 18325
2716 1 6 . 1 1 49 49 VAL HA H 49 4.356 4.356 3.727 0.629 18325
2717 1 6 . 1 1 49 49 VAL C C 49 175.807 175.807 176.124 -0.317 18325
2718 1 6 . 1 1 49 49 VAL CA C 49 62.064 62.064 63.683 -1.619 18325
2719 1 6 . 1 1 49 49 VAL CB C 49 31.110 31.110 32.050 -0.939 18325
2720 1 6 . 1 1 49 49 VAL H H 49 7.040 7.040 7.713 -0.673 18325
2721 1 6 . 1 1 50 50 ASN N N 50 119.765 119.765 119.492 0.273 18325
2722 1 6 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.803 0.331 18325
2723 1 6 . 1 1 50 50 ASN C C 50 176.473 176.473 174.295 2.178 18325
2724 1 6 . 1 1 50 50 ASN CA C 50 53.454 53.454 51.898 1.556 18325
2725 1 6 . 1 1 50 50 ASN CB C 50 40.815 40.815 37.775 3.040 18325
2726 1 6 . 1 1 50 50 ASN H H 50 7.364 7.364 8.117 -0.753 18325
2727 1 6 . 1 1 51 51 GLY N N 51 110.407 110.407 108.651 1.756 18325
2728 1 6 . 1 1 51 51 GLY C C 51 174.967 174.967 175.275 -0.308 18325
2729 1 6 . 1 1 51 51 GLY CA C 51 47.543 47.543 44.870 2.673 18325
2730 1 6 . 1 1 51 51 GLY H H 51 8.546 8.546 7.903 0.643 18325
2731 1 6 . 1 1 52 52 GLY N N 52 106.482 106.482 113.919 -7.437 18325
2732 1 6 . 1 1 52 52 GLY C C 52 174.134 174.134 174.012 0.122 18325
2733 1 6 . 1 1 52 52 GLY CA C 52 44.424 44.424 45.533 -1.109 18325
2734 1 6 . 1 1 52 52 GLY H H 52 8.810 8.810 8.814 -0.004 18325
2735 1 6 . 1 1 53 53 ASN N N 53 119.129 119.129 120.592 -1.463 18325
2736 1 6 . 1 1 53 53 ASN HA H 53 4.738 4.738 4.828 -0.090 18325
2737 1 6 . 1 1 53 53 ASN C C 53 174.828 174.828 174.242 0.586 18325
2738 1 6 . 1 1 53 53 ASN CA C 53 52.654 52.654 51.809 0.845 18325
2739 1 6 . 1 1 53 53 ASN CB C 53 40.237 40.237 40.542 -0.305 18325
2740 1 6 . 1 1 53 53 ASN H H 53 7.330 7.330 7.998 -0.668 18325
2741 1 6 . 1 1 54 54 ARG N N 54 125.094 125.094 123.415 1.679 18325
2742 1 6 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.349 -0.215 18325
2743 1 6 . 1 1 54 54 ARG C C 54 174.863 174.863 175.393 -0.530 18325
2744 1 6 . 1 1 54 54 ARG CA C 54 55.132 55.132 55.717 -0.585 18325
2745 1 6 . 1 1 54 54 ARG CB C 54 27.409 27.409 29.312 -1.903 18325
2746 1 6 . 1 1 54 54 ARG H H 54 8.826 8.826 8.564 0.262 18325
2747 1 6 . 1 1 55 55 THR N N 55 117.920 117.920 119.982 -2.062 18325
2748 1 6 . 1 1 55 55 THR HA H 55 4.020 4.020 4.248 -0.228 18325
2749 1 6 . 1 1 55 55 THR C C 55 172.459 172.459 175.479 -3.020 18325
2750 1 6 . 1 1 55 55 THR CA C 55 63.451 63.451 63.122 0.329 18325
2751 1 6 . 1 1 55 55 THR CB C 55 69.158 69.158 69.448 -0.290 18325
2752 1 6 . 1 1 55 55 THR H H 55 6.994 6.994 7.785 -0.791 18325
2753 1 6 . 1 1 56 56 VAL N N 56 117.300 117.300 124.342 -7.042 18325
2754 1 6 . 1 1 56 56 VAL HA H 56 4.735 4.735 3.994 0.741 18325
2755 1 6 . 1 1 56 56 VAL CA C 56 56.872 56.872 65.307 -8.435 18325
2756 1 6 . 1 1 56 56 VAL CB C 56 34.378 34.378 30.544 3.834 18325
2757 1 6 . 1 1 56 56 VAL H H 56 8.172 8.172 8.519 -0.347 18325
2758 1 6 . 1 1 57 57 PRO HA H 57 5.350 5.350 4.800 0.550 18325
2759 1 6 . 1 1 57 57 PRO C C 57 176.879 176.879 175.717 1.162 18325
2760 1 6 . 1 1 57 57 PRO CA C 57 62.246 62.246 62.913 -0.667 18325
2761 1 6 . 1 1 57 57 PRO CB C 57 34.293 34.293 29.834 4.458 18325
2762 1 6 . 1 1 58 58 THR N N 58 120.440 120.440 120.926 -0.486 18325
2763 1 6 . 1 1 58 58 THR HA H 58 5.042 5.042 4.985 0.057 18325
2764 1 6 . 1 1 58 58 THR C C 58 172.321 172.321 172.747 -0.426 18325
2765 1 6 . 1 1 58 58 THR CA C 58 63.449 63.449 62.184 1.265 18325
2766 1 6 . 1 1 58 58 THR CB C 58 71.892 71.892 71.664 0.228 18325
2767 1 6 . 1 1 58 58 THR H H 58 7.948 7.948 8.649 -0.701 18325
2768 1 6 . 1 1 59 59 VAL N N 59 126.444 126.444 127.317 -0.873 18325
2769 1 6 . 1 1 59 59 VAL HA H 59 5.095 5.095 4.941 0.154 18325
2770 1 6 . 1 1 59 59 VAL C C 59 173.176 173.176 173.207 -0.031 18325
2771 1 6 . 1 1 59 59 VAL CA C 59 60.133 60.133 59.337 0.796 18325
2772 1 6 . 1 1 59 59 VAL CB C 59 34.117 34.117 35.566 -1.449 18325
2773 1 6 . 1 1 59 59 VAL H H 59 9.428 9.428 9.259 0.169 18325
2774 1 6 . 1 1 60 60 LYS N N 60 126.183 126.183 128.937 -2.754 18325
2775 1 6 . 1 1 60 60 LYS HA H 60 5.379 5.379 5.182 0.197 18325
2776 1 6 . 1 1 60 60 LYS C C 60 175.404 175.404 175.248 0.156 18325
2777 1 6 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.600 0.011 18325
2778 1 6 . 1 1 60 60 LYS CB C 60 37.601 37.601 34.584 3.017 18325
2779 1 6 . 1 1 60 60 LYS H H 60 9.214 9.214 8.891 0.323 18325
2780 1 6 . 1 1 61 61 PHE N N 61 126.709 126.709 124.392 2.317 18325
2781 1 6 . 1 1 61 61 PHE HA H 61 4.736 4.736 5.413 -0.677 18325
2782 1 6 . 1 1 61 61 PHE C C 61 178.102 178.102 177.416 0.686 18325
2783 1 6 . 1 1 61 61 PHE CA C 61 58.048 58.048 56.804 1.244 18325
2784 1 6 . 1 1 61 61 PHE CB C 61 41.221 41.221 41.332 -0.111 18325
2785 1 6 . 1 1 61 61 PHE H H 61 9.069 9.069 8.762 0.307 18325
2786 1 6 . 1 1 62 62 ALA N N 62 123.358 123.358 123.365 -0.007 18325
2787 1 6 . 1 1 62 62 ALA HA H 62 4.134 4.134 4.100 0.034 18325
2788 1 6 . 1 1 62 62 ALA C C 62 177.754 177.754 177.707 0.047 18325
2789 1 6 . 1 1 62 62 ALA CA C 62 54.940 54.940 54.072 0.868 18325
2790 1 6 . 1 1 62 62 ALA CB C 62 19.243 19.243 18.555 0.688 18325
2791 1 6 . 1 1 62 62 ALA H H 62 9.728 9.728 8.539 1.189 18325
2792 1 6 . 1 1 63 63 ASP N N 63 113.412 113.412 117.749 -4.337 18325
2793 1 6 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.517 0.069 18325
2794 1 6 . 1 1 63 63 ASP C C 63 177.032 177.032 177.600 -0.568 18325
2795 1 6 . 1 1 63 63 ASP CA C 63 53.141 53.141 54.354 -1.213 18325
2796 1 6 . 1 1 63 63 ASP CB C 63 40.040 40.040 41.294 -1.254 18325
2797 1 6 . 1 1 63 63 ASP H H 63 7.675 7.675 7.939 -0.264 18325
2798 1 6 . 1 1 64 64 GLY N N 64 109.285 109.285 106.344 2.941 18325
2799 1 6 . 1 1 64 64 GLY C C 64 173.680 173.680 174.432 -0.752 18325
2800 1 6 . 1 1 64 64 GLY CA C 64 45.328 45.328 45.237 0.091 18325
2801 1 6 . 1 1 64 64 GLY H H 64 8.361 8.361 8.172 0.189 18325
2802 1 6 . 1 1 65 65 SER N N 65 117.733 117.733 117.309 0.424 18325
2803 1 6 . 1 1 65 65 SER HA H 65 4.567 4.567 4.644 -0.077 18325
2804 1 6 . 1 1 65 65 SER C C 65 173.595 173.595 173.846 -0.251 18325
2805 1 6 . 1 1 65 65 SER CA C 65 58.964 58.964 58.474 0.490 18325
2806 1 6 . 1 1 65 65 SER CB C 65 64.637 64.637 64.214 0.423 18325
2807 1 6 . 1 1 65 65 SER H H 65 8.287 8.287 7.759 0.528 18325
2808 1 6 . 1 1 66 66 THR N N 66 106.725 106.725 114.737 -8.012 18325
2809 1 6 . 1 1 66 66 THR HA H 66 6.250 6.250 5.390 0.860 18325
2810 1 6 . 1 1 66 66 THR C C 66 175.730 175.730 173.730 2.000 18325
2811 1 6 . 1 1 66 66 THR CA C 66 59.494 59.494 60.569 -1.075 18325
2812 1 6 . 1 1 66 66 THR CB C 66 73.049 73.049 70.958 2.091 18325
2813 1 6 . 1 1 66 66 THR H H 66 8.221 8.221 8.325 -0.104 18325
2814 1 6 . 1 1 67 67 LEU N N 67 117.517 117.517 126.811 -9.294 18325
2815 1 6 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.800 0.068 18325
2816 1 6 . 1 1 67 67 LEU C C 67 176.030 176.030 174.827 1.203 18325
2817 1 6 . 1 1 67 67 LEU CA C 67 54.768 54.768 54.279 0.489 18325
2818 1 6 . 1 1 67 67 LEU CB C 67 47.406 47.406 45.343 2.063 18325
2819 1 6 . 1 1 67 67 LEU H H 67 8.763 8.763 9.299 -0.536 18325
2820 1 6 . 1 1 68 68 THR N N 68 120.988 120.988 123.606 -2.618 18325
2821 1 6 . 1 1 68 68 THR HA H 68 4.616 4.616 4.883 -0.267 18325
2822 1 6 . 1 1 68 68 THR C C 68 173.201 173.201 174.055 -0.854 18325
2823 1 6 . 1 1 68 68 THR CA C 68 62.802 62.802 61.867 0.935 18325
2824 1 6 . 1 1 68 68 THR CB C 68 69.226 69.226 69.587 -0.361 18325
2825 1 6 . 1 1 68 68 THR H H 68 9.226 9.226 8.704 0.522 18325
2826 1 6 . 1 1 69 69 ASN N N 69 122.679 122.679 122.330 0.349 18325
2827 1 6 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.601 -0.311 18325
2828 1 6 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.714 0.752 18325
2829 1 6 . 1 1 69 69 ASN CB C 69 38.731 38.731 37.347 1.383 18325
2830 1 6 . 1 1 69 69 ASN H H 69 9.097 9.097 8.846 0.251 18325
2831 1 6 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.670 0.199 18325
2832 1 6 . 1 1 70 70 PRO C C 70 177.239 177.239 176.578 0.661 18325
2833 1 6 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.312 0.745 18325
2834 1 6 . 1 1 70 70 PRO CB C 70 32.153 32.153 33.131 -0.978 18325
2835 1 6 . 1 1 71 71 SER N N 71 115.373 115.373 114.530 0.843 18325
2836 1 6 . 1 1 71 71 SER HA H 71 4.620 4.620 4.655 -0.035 18325
2837 1 6 . 1 1 71 71 SER C C 71 175.966 175.966 175.711 0.255 18325
2838 1 6 . 1 1 71 71 SER CA C 71 56.624 56.624 56.910 -0.286 18325
2839 1 6 . 1 1 71 71 SER CB C 71 65.562 65.562 64.485 1.077 18325
2840 1 6 . 1 1 71 71 SER H H 71 8.932 8.932 8.873 0.059 18325
2841 1 6 . 1 1 72 72 ALA N N 72 124.008 124.008 124.945 -0.937 18325
2842 1 6 . 1 1 72 72 ALA HA H 72 3.763 3.763 4.047 -0.284 18325
2843 1 6 . 1 1 72 72 ALA C C 72 179.550 179.550 178.937 0.613 18325
2844 1 6 . 1 1 72 72 ALA CA C 72 55.970 55.970 55.419 0.551 18325
2845 1 6 . 1 1 72 72 ALA CB C 72 17.873 17.873 18.139 -0.266 18325
2846 1 6 . 1 1 72 72 ALA H H 72 9.235 9.235 8.693 0.542 18325
2847 1 6 . 1 1 73 73 ASP N N 73 116.584 116.584 116.695 -0.111 18325
2848 1 6 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.317 0.013 18325
2849 1 6 . 1 1 73 73 ASP C C 73 179.219 179.219 178.285 0.934 18325
2850 1 6 . 1 1 73 73 ASP CA C 73 57.583 57.583 57.177 0.406 18325
2851 1 6 . 1 1 73 73 ASP CB C 73 40.300 40.300 39.909 0.391 18325
2852 1 6 . 1 1 73 73 ASP H H 73 8.277 8.277 8.857 -0.580 18325
2853 1 6 . 1 1 74 74 GLU N N 74 122.057 122.057 120.206 1.851 18325
2854 1 6 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.047 -0.032 18325
2855 1 6 . 1 1 74 74 GLU C C 74 180.045 180.045 178.947 1.098 18325
2856 1 6 . 1 1 74 74 GLU CA C 74 59.199 59.199 58.998 0.202 18325
2857 1 6 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.571 0.503 18325
2858 1 6 . 1 1 74 74 GLU H H 74 7.925 7.925 7.466 0.459 18325
2859 1 6 . 1 1 75 75 VAL N N 75 120.141 120.141 119.976 0.165 18325
2860 1 6 . 1 1 75 75 VAL HA H 75 3.681 3.681 3.877 -0.196 18325
2861 1 6 . 1 1 75 75 VAL C C 75 177.008 177.008 177.793 -0.785 18325
2862 1 6 . 1 1 75 75 VAL CA C 75 67.172 67.172 66.424 0.748 18325
2863 1 6 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.159 0.078 18325
2864 1 6 . 1 1 75 75 VAL H H 75 7.885 7.885 7.684 0.201 18325
2865 1 6 . 1 1 76 76 LYS N N 76 118.715 118.715 120.692 -1.977 18325
2866 1 6 . 1 1 76 76 LYS HA H 76 3.827 3.827 3.957 -0.130 18325
2867 1 6 . 1 1 76 76 LYS C C 76 178.105 178.105 178.568 -0.463 18325
2868 1 6 . 1 1 76 76 LYS CA C 76 60.397 60.397 60.000 0.397 18325
2869 1 6 . 1 1 76 76 LYS CB C 76 32.405 32.405 32.356 0.049 18325
2870 1 6 . 1 1 76 76 LYS H H 76 8.298 8.298 8.103 0.195 18325
2871 1 6 . 1 1 77 77 ALA N N 77 118.993 118.993 121.029 -2.036 18325
2872 1 6 . 1 1 77 77 ALA HA H 77 4.031 4.031 4.043 -0.012 18325
2873 1 6 . 1 1 77 77 ALA C C 77 180.450 180.450 179.842 0.608 18325
2874 1 6 . 1 1 77 77 ALA CA C 77 54.820 54.820 54.995 -0.175 18325
2875 1 6 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.199 0.001 18325
2876 1 6 . 1 1 77 77 ALA H H 77 7.985 7.985 8.193 -0.208 18325
2877 1 6 . 1 1 78 78 LYS N N 78 119.952 119.952 118.796 1.156 18325
2878 1 6 . 1 1 78 78 LYS HA H 78 3.975 3.975 3.837 0.138 18325
2879 1 6 . 1 1 78 78 LYS C C 78 177.949 177.949 178.341 -0.392 18325
2880 1 6 . 1 1 78 78 LYS CA C 78 58.079 58.079 58.096 -0.018 18325
2881 1 6 . 1 1 78 78 LYS CB C 78 31.342 31.342 31.491 -0.149 18325
2882 1 6 . 1 1 78 78 LYS H H 78 7.480 7.480 7.611 -0.131 18325
2883 1 6 . 1 1 79 79 LEU N N 79 118.729 118.729 121.061 -2.332 18325
2884 1 6 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.128 -0.092 18325
2885 1 6 . 1 1 79 79 LEU C C 79 180.234 180.234 178.430 1.804 18325
2886 1 6 . 1 1 79 79 LEU CA C 79 58.096 58.096 58.082 0.014 18325
2887 1 6 . 1 1 79 79 LEU CB C 79 41.776 41.776 41.982 -0.206 18325
2888 1 6 . 1 1 79 79 LEU H H 79 8.075 8.075 8.103 -0.028 18325
2889 1 6 . 1 1 80 80 VAL N N 80 118.567 118.567 112.687 5.880 18325
2890 1 6 . 1 1 80 80 VAL HA H 80 3.733 3.733 3.649 0.084 18325
2891 1 6 . 1 1 80 80 VAL C C 80 178.390 178.390 177.310 1.080 18325
2892 1 6 . 1 1 80 80 VAL CA C 80 65.895 65.895 65.367 0.528 18325
2893 1 6 . 1 1 80 80 VAL CB C 80 31.961 31.961 31.586 0.375 18325
2894 1 6 . 1 1 80 80 VAL H H 80 7.867 7.867 7.870 -0.003 18325
2895 1 6 . 1 1 81 81 LYS N N 81 121.106 121.106 118.924 2.182 18325
2896 1 6 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.375 -0.283 18325
2897 1 6 . 1 1 81 81 LYS C C 81 179.434 179.434 179.415 0.019 18325
2898 1 6 . 1 1 81 81 LYS CA C 81 58.943 58.943 58.573 0.370 18325
2899 1 6 . 1 1 81 81 LYS CB C 81 32.497 32.497 32.467 0.030 18325
2900 1 6 . 1 1 81 81 LYS H H 81 7.565 7.565 7.355 0.210 18325
2901 1 6 . 1 1 82 82 ILE N N 82 117.365 117.365 116.413 0.952 18325
2902 1 6 . 1 1 82 82 ILE HA H 82 3.953 3.953 4.124 -0.171 18325
2903 1 6 . 1 1 82 82 ILE C C 82 177.482 177.482 177.141 0.341 18325
2904 1 6 . 1 1 82 82 ILE CA C 82 63.598 63.598 62.421 1.177 18325
2905 1 6 . 1 1 82 82 ILE CB C 82 38.372 38.372 37.153 1.220 18325
2906 1 6 . 1 1 82 82 ILE H H 82 8.124 8.124 8.000 0.124 18325
2907 1 6 . 1 1 83 83 ALA N N 83 123.334 123.334 122.769 0.565 18325
2908 1 6 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.383 -0.104 18325
2909 1 6 . 1 1 83 83 ALA C C 83 179.104 179.104 178.297 0.807 18325
2910 1 6 . 1 1 83 83 ALA CA C 83 53.851 53.851 52.393 1.458 18325
2911 1 6 . 1 1 83 83 ALA CB C 83 18.769 18.769 19.101 -0.332 18325
2912 1 6 . 1 1 83 83 ALA H H 83 7.867 7.867 7.812 0.055 18325
2913 1 6 . 1 1 84 84 GLY N N 84 105.962 105.962 105.874 0.088 18325
2914 1 6 . 1 1 84 84 GLY C C 84 174.779 174.779 173.676 1.103 18325
2915 1 6 . 1 1 84 84 GLY CA C 84 45.847 45.847 45.632 0.215 18325
2916 1 6 . 1 1 84 84 GLY H H 84 8.019 8.019 7.678 0.341 18325
2917 1 6 . 1 1 85 85 LEU N N 85 120.702 120.702 117.342 3.360 18325
2918 1 6 . 1 1 85 85 LEU HA H 85 4.275 4.275 4.434 -0.159 18325
2919 1 6 . 1 1 85 85 LEU C C 85 177.609 177.609 176.653 0.956 18325
2920 1 6 . 1 1 85 85 LEU CA C 85 55.511 55.511 56.171 -0.660 18325
2921 1 6 . 1 1 85 85 LEU CB C 85 42.449 42.449 43.309 -0.860 18325
2922 1 6 . 1 1 85 85 LEU H H 85 7.727 7.727 7.435 0.292 18325
2923 1 6 . 1 1 86 86 GLU N N 86 120.386 120.386 118.389 1.997 18325
2924 1 6 . 1 1 86 86 GLU HA H 86 4.154 4.154 4.356 -0.202 18325
2925 1 6 . 1 1 86 86 GLU C C 86 176.359 176.359 175.805 0.554 18325
2926 1 6 . 1 1 86 86 GLU CA C 86 56.941 56.941 56.891 0.051 18325
2927 1 6 . 1 1 86 86 GLU CB C 86 30.180 30.180 31.382 -1.202 18325
2928 1 6 . 1 1 86 86 GLU H H 86 8.238 8.238 8.439 -0.201 18325
2929 1 6 . 1 1 87 87 HIS N N 87 119.393 119.393 116.834 2.559 18325
2930 1 6 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.721 -0.131 18325
2931 1 6 . 1 1 87 87 HIS C C 87 174.000 174.000 172.510 1.490 18325
2932 1 6 . 1 1 87 87 HIS CA C 87 56.146 56.146 55.765 0.381 18325
2933 1 6 . 1 1 87 87 HIS CB C 87 30.335 30.335 32.063 -1.728 18325
2934 1 6 . 1 1 87 87 HIS H H 87 8.177 8.177 7.708 0.469 18325
2935 1 7 . 1 1 2 2 VAL HA H 2 4.195 4.195 4.533 -0.338 18325
2936 1 7 . 1 1 2 2 VAL C C 2 175.805 175.805 176.589 -0.784 18325
2937 1 7 . 1 1 2 2 VAL CA C 2 62.388 62.388 62.791 -0.403 18325
2938 1 7 . 1 1 2 2 VAL CB C 2 32.777 32.777 30.703 2.075 18325
2939 1 7 . 1 1 3 3 THR N N 3 119.229 119.229 112.181 7.048 18325
2940 1 7 . 1 1 3 3 THR HA H 3 4.259 4.259 4.316 -0.057 18325
2941 1 7 . 1 1 3 3 THR C C 3 173.761 173.761 174.839 -1.078 18325
2942 1 7 . 1 1 3 3 THR CA C 3 61.673 61.673 62.803 -1.131 18325
2943 1 7 . 1 1 3 3 THR CB C 3 69.846 69.846 68.976 0.870 18325
2944 1 7 . 1 1 3 3 THR H H 3 8.256 8.256 7.901 0.355 18325
2945 1 7 . 1 1 4 4 ALA N N 4 126.635 126.635 125.108 1.527 18325
2946 1 7 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.784 -0.630 18325
2947 1 7 . 1 1 4 4 ALA C C 4 177.002 177.002 176.926 0.076 18325
2948 1 7 . 1 1 4 4 ALA CA C 4 52.159 52.159 50.673 1.486 18325
2949 1 7 . 1 1 4 4 ALA CB C 4 19.512 19.512 19.197 0.315 18325
2950 1 7 . 1 1 4 4 ALA H H 4 8.367 8.367 7.917 0.450 18325
2951 1 7 . 1 1 5 5 ALA N N 5 123.621 123.621 128.263 -4.642 18325
2952 1 7 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.212 0.055 18325
2953 1 7 . 1 1 5 5 ALA C C 5 176.288 176.288 177.639 -1.351 18325
2954 1 7 . 1 1 5 5 ALA CA C 5 52.894 52.894 53.850 -0.956 18325
2955 1 7 . 1 1 5 5 ALA CB C 5 19.494 19.494 19.289 0.205 18325
2956 1 7 . 1 1 5 5 ALA H H 5 8.374 8.374 8.518 -0.144 18325
2957 1 7 . 1 1 6 6 LEU N N 6 115.731 115.731 115.170 0.561 18325
2958 1 7 . 1 1 6 6 LEU HA H 6 4.648 4.648 4.562 0.086 18325
2959 1 7 . 1 1 6 6 LEU C C 6 175.007 175.007 176.161 -1.154 18325
2960 1 7 . 1 1 6 6 LEU CA C 6 54.263 54.263 54.373 -0.110 18325
2961 1 7 . 1 1 6 6 LEU CB C 6 44.224 44.224 41.025 3.199 18325
2962 1 7 . 1 1 6 6 LEU H H 6 7.478 7.478 7.951 -0.473 18325
2963 1 7 . 1 1 7 7 THR N N 7 119.383 119.383 121.742 -2.359 18325
2964 1 7 . 1 1 7 7 THR HA H 7 4.906 4.906 4.978 -0.072 18325
2965 1 7 . 1 1 7 7 THR C C 7 172.657 172.657 173.799 -1.142 18325
2966 1 7 . 1 1 7 7 THR CA C 7 61.586 61.586 62.051 -0.465 18325
2967 1 7 . 1 1 7 7 THR CB C 7 70.917 70.917 69.128 1.789 18325
2968 1 7 . 1 1 7 7 THR H H 7 8.342 8.342 8.791 -0.449 18325
2969 1 7 . 1 1 8 8 ILE N N 8 124.711 124.711 127.546 -2.835 18325
2970 1 7 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.731 -0.156 18325
2971 1 7 . 1 1 8 8 ILE C C 8 172.650 172.650 174.783 -2.133 18325
2972 1 7 . 1 1 8 8 ILE CA C 8 59.206 59.206 59.888 -0.682 18325
2973 1 7 . 1 1 8 8 ILE CB C 8 40.150 40.150 40.415 -0.265 18325
2974 1 7 . 1 1 8 8 ILE H H 8 9.050 9.050 9.140 -0.090 18325
2975 1 7 . 1 1 9 9 TYR N N 9 128.517 128.517 126.569 1.948 18325
2976 1 7 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.706 0.719 18325
2977 1 7 . 1 1 9 9 TYR C C 9 176.445 176.445 174.705 1.740 18325
2978 1 7 . 1 1 9 9 TYR CA C 9 57.397 57.397 58.234 -0.837 18325
2979 1 7 . 1 1 9 9 TYR CB C 9 39.232 39.232 38.343 0.889 18325
2980 1 7 . 1 1 9 9 TYR H H 9 9.094 9.094 9.164 -0.070 18325
2981 1 7 . 1 1 10 10 THR N N 10 112.214 112.214 112.724 -0.510 18325
2982 1 7 . 1 1 10 10 THR HA H 10 4.778 4.778 4.596 0.182 18325
2983 1 7 . 1 1 10 10 THR C C 10 173.410 173.410 172.838 0.572 18325
2984 1 7 . 1 1 10 10 THR CA C 10 59.893 59.893 59.779 0.114 18325
2985 1 7 . 1 1 10 10 THR CB C 10 72.063 72.063 71.307 0.756 18325
2986 1 7 . 1 1 10 10 THR H H 10 8.824 8.824 8.284 0.540 18325
2987 1 7 . 1 1 11 11 THR N N 11 103.866 103.866 113.521 -9.655 18325
2988 1 7 . 1 1 11 11 THR HA H 11 4.585 4.585 4.397 0.188 18325
2989 1 7 . 1 1 11 11 THR C C 11 176.335 176.335 173.558 2.777 18325
2990 1 7 . 1 1 11 11 THR CA C 11 60.389 60.389 61.070 -0.681 18325
2991 1 7 . 1 1 11 11 THR CB C 11 72.584 72.584 71.707 0.877 18325
2992 1 7 . 1 1 11 11 THR H H 11 6.667 6.667 8.207 -1.540 18325
2993 1 7 . 1 1 12 12 SER N N 12 116.991 116.991 118.657 -1.666 18325
2994 1 7 . 1 1 12 12 SER HA H 12 4.134 4.134 4.393 -0.259 18325
2995 1 7 . 1 1 12 12 SER C C 12 174.863 174.863 175.038 -0.175 18325
2996 1 7 . 1 1 12 12 SER CA C 12 61.183 61.183 62.337 -1.154 18325
2997 1 7 . 1 1 12 12 SER CB C 12 62.845 62.845 63.593 -0.748 18325
2998 1 7 . 1 1 12 12 SER H H 12 9.561 9.561 9.366 0.195 18325
2999 1 7 . 1 1 13 13 TRP N N 13 117.675 117.675 120.400 -2.725 18325
3000 1 7 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.776 -0.001 18325
3001 1 7 . 1 1 13 13 TRP C C 13 175.144 175.144 175.405 -0.261 18325
3002 1 7 . 1 1 13 13 TRP CA C 13 54.555 54.555 55.955 -1.400 18325
3003 1 7 . 1 1 13 13 TRP CB C 13 28.292 28.292 28.913 -0.621 18325
3004 1 7 . 1 1 13 13 TRP H H 13 6.996 6.996 7.477 -0.481 18325
3005 1 7 . 1 1 14 14 CYS N N 14 120.513 120.513 124.522 -4.009 18325
3006 1 7 . 1 1 14 14 CYS HA H 14 4.498 4.498 4.950 -0.452 18325
3007 1 7 . 1 1 14 14 CYS CA C 14 53.859 53.859 58.874 -5.015 18325
3008 1 7 . 1 1 14 14 CYS CB C 14 44.419 44.419 29.511 14.908 18325
3009 1 7 . 1 1 14 14 CYS H H 14 6.755 6.755 8.330 -1.575 18325
3010 1 7 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.514 -0.137 18325
3011 1 7 . 1 1 16 16 TYR C C 16 177.495 177.495 176.637 0.858 18325
3012 1 7 . 1 1 16 16 TYR CA C 16 60.662 60.662 57.920 2.742 18325
3013 1 7 . 1 1 16 16 TYR CB C 16 37.852 37.852 36.905 0.947 18325
3014 1 7 . 1 1 17 17 CYS N N 17 114.160 114.160 115.671 -1.511 18325
3015 1 7 . 1 1 17 17 CYS HA H 17 3.923 3.923 4.100 -0.177 18325
3016 1 7 . 1 1 17 17 CYS C C 17 174.680 174.680 176.184 -1.504 18325
3017 1 7 . 1 1 17 17 CYS CA C 17 65.302 65.302 59.221 6.080 18325
3018 1 7 . 1 1 17 17 CYS CB C 17 33.986 33.986 26.370 7.616 18325
3019 1 7 . 1 1 17 17 CYS H H 17 8.495 8.495 7.549 0.946 18325
3020 1 7 . 1 1 18 18 LEU N N 18 119.295 119.295 122.964 -3.669 18325
3021 1 7 . 1 1 18 18 LEU HA H 18 4.031 4.031 4.039 -0.008 18325
3022 1 7 . 1 1 18 18 LEU C C 18 179.001 179.001 178.016 0.985 18325
3023 1 7 . 1 1 18 18 LEU CA C 18 58.234 58.234 57.090 1.144 18325
3024 1 7 . 1 1 18 18 LEU CB C 18 41.205 41.205 41.657 -0.452 18325
3025 1 7 . 1 1 18 18 LEU H H 18 7.311 7.311 7.888 -0.577 18325
3026 1 7 . 1 1 19 19 ARG N N 19 119.771 119.771 119.865 -0.094 18325
3027 1 7 . 1 1 19 19 ARG HA H 19 3.998 3.998 4.021 -0.023 18325
3028 1 7 . 1 1 19 19 ARG C C 19 178.949 178.949 178.376 0.573 18325
3029 1 7 . 1 1 19 19 ARG CA C 19 59.597 59.597 59.184 0.413 18325
3030 1 7 . 1 1 19 19 ARG CB C 19 30.006 30.006 29.275 0.731 18325
3031 1 7 . 1 1 19 19 ARG H H 19 7.469 7.469 7.449 0.020 18325
3032 1 7 . 1 1 20 20 LEU N N 20 120.802 120.802 120.067 0.735 18325
3033 1 7 . 1 1 20 20 LEU HA H 20 4.097 4.097 4.055 0.042 18325
3034 1 7 . 1 1 20 20 LEU C C 20 177.928 177.928 178.361 -0.433 18325
3035 1 7 . 1 1 20 20 LEU CA C 20 57.757 57.757 58.057 -0.300 18325
3036 1 7 . 1 1 20 20 LEU CB C 20 40.940 40.940 41.736 -0.796 18325
3037 1 7 . 1 1 20 20 LEU H H 20 8.150 8.150 8.072 0.078 18325
3038 1 7 . 1 1 21 21 LYS N N 21 117.910 117.910 119.231 -1.321 18325
3039 1 7 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.518 -0.238 18325
3040 1 7 . 1 1 21 21 LYS C C 21 178.851 178.851 178.721 0.130 18325
3041 1 7 . 1 1 21 21 LYS CA C 21 61.353 61.353 60.179 1.174 18325
3042 1 7 . 1 1 21 21 LYS CB C 21 31.698 31.698 32.266 -0.568 18325
3043 1 7 . 1 1 21 21 LYS H H 21 7.854 7.854 8.094 -0.240 18325
3044 1 7 . 1 1 22 22 THR N N 22 115.451 115.451 111.774 3.677 18325
3045 1 7 . 1 1 22 22 THR HA H 22 3.889 3.889 4.155 -0.266 18325
3046 1 7 . 1 1 22 22 THR C C 22 176.571 176.571 176.459 0.112 18325
3047 1 7 . 1 1 22 22 THR CA C 22 66.849 66.849 65.558 1.291 18325
3048 1 7 . 1 1 22 22 THR CB C 22 68.793 68.793 68.694 0.099 18325
3049 1 7 . 1 1 22 22 THR H H 22 8.125 8.125 8.130 -0.005 18325
3050 1 7 . 1 1 23 23 ALA N N 23 125.218 125.218 125.072 0.146 18325
3051 1 7 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.086 0.188 18325
3052 1 7 . 1 1 23 23 ALA C C 23 180.948 180.948 179.632 1.316 18325
3053 1 7 . 1 1 23 23 ALA CA C 23 55.003 55.003 55.010 -0.007 18325
3054 1 7 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.215 0.627 18325
3055 1 7 . 1 1 23 23 ALA H H 23 7.892 7.892 7.547 0.345 18325
3056 1 7 . 1 1 24 24 LEU N N 24 120.007 120.007 117.808 2.199 18325
3057 1 7 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.949 0.069 18325
3058 1 7 . 1 1 24 24 LEU C C 24 179.738 179.738 179.326 0.412 18325
3059 1 7 . 1 1 24 24 LEU CA C 24 58.807 58.807 58.080 0.727 18325
3060 1 7 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.652 -1.838 18325
3061 1 7 . 1 1 24 24 LEU H H 24 8.775 8.775 8.616 0.159 18325
3062 1 7 . 1 1 25 25 THR N N 25 118.777 118.777 115.578 3.199 18325
3063 1 7 . 1 1 25 25 THR HA H 25 4.175 4.175 4.153 0.022 18325
3064 1 7 . 1 1 25 25 THR C C 25 178.539 178.539 177.165 1.374 18325
3065 1 7 . 1 1 25 25 THR CA C 25 67.138 67.138 66.659 0.479 18325
3066 1 7 . 1 1 25 25 THR CB C 25 68.679 68.679 68.777 -0.098 18325
3067 1 7 . 1 1 25 25 THR H H 25 8.636 8.636 8.059 0.577 18325
3068 1 7 . 1 1 26 26 ALA N N 26 126.122 126.122 123.687 2.435 18325
3069 1 7 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.238 -0.050 18325
3070 1 7 . 1 1 26 26 ALA C C 26 178.536 178.536 178.377 0.159 18325
3071 1 7 . 1 1 26 26 ALA CA C 26 55.134 55.134 54.422 0.711 18325
3072 1 7 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.299 -0.412 18325
3073 1 7 . 1 1 26 26 ALA H H 26 8.357 8.357 8.023 0.334 18325
3074 1 7 . 1 1 27 27 ASN N N 27 114.755 114.755 115.068 -0.313 18325
3075 1 7 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.738 -0.041 18325
3076 1 7 . 1 1 27 27 ASN C C 27 172.751 172.751 175.037 -2.286 18325
3077 1 7 . 1 1 27 27 ASN CA C 27 53.712 53.712 53.152 0.560 18325
3078 1 7 . 1 1 27 27 ASN CB C 27 40.648 40.648 39.100 1.548 18325
3079 1 7 . 1 1 27 27 ASN H H 27 7.456 7.456 7.866 -0.410 18325
3080 1 7 . 1 1 28 28 ARG N N 28 115.444 115.444 117.688 -2.244 18325
3081 1 7 . 1 1 28 28 ARG HA H 28 3.934 3.934 3.984 -0.050 18325
3082 1 7 . 1 1 28 28 ARG C C 28 175.075 175.075 174.862 0.213 18325
3083 1 7 . 1 1 28 28 ARG CA C 28 57.091 57.091 57.361 -0.270 18325
3084 1 7 . 1 1 28 28 ARG CB C 28 26.393 26.393 28.151 -1.758 18325
3085 1 7 . 1 1 28 28 ARG H H 28 8.183 8.183 7.564 0.619 18325
3086 1 7 . 1 1 29 29 ILE N N 29 120.976 120.976 120.115 0.861 18325
3087 1 7 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.208 -0.129 18325
3088 1 7 . 1 1 29 29 ILE C C 29 175.050 175.050 175.065 -0.015 18325
3089 1 7 . 1 1 29 29 ILE CA C 29 60.664 60.664 61.145 -0.481 18325
3090 1 7 . 1 1 29 29 ILE CB C 29 38.695 38.695 38.133 0.562 18325
3091 1 7 . 1 1 29 29 ILE H H 29 8.004 8.004 8.422 -0.418 18325
3092 1 7 . 1 1 30 30 ALA N N 30 131.099 131.099 131.948 -0.849 18325
3093 1 7 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.304 -0.136 18325
3094 1 7 . 1 1 30 30 ALA C C 30 176.360 176.360 176.136 0.224 18325
3095 1 7 . 1 1 30 30 ALA CA C 30 51.819 51.819 51.890 -0.071 18325
3096 1 7 . 1 1 30 30 ALA CB C 30 19.641 19.641 18.468 1.173 18325
3097 1 7 . 1 1 30 30 ALA H H 30 8.329 8.329 8.655 -0.326 18325
3098 1 7 . 1 1 31 31 TYR N N 31 114.363 114.363 121.700 -7.337 18325
3099 1 7 . 1 1 31 31 TYR HA H 31 5.133 5.133 5.306 -0.173 18325
3100 1 7 . 1 1 31 31 TYR C C 31 173.470 173.470 174.319 -0.849 18325
3101 1 7 . 1 1 31 31 TYR CA C 31 55.522 55.522 54.956 0.566 18325
3102 1 7 . 1 1 31 31 TYR CB C 31 41.184 41.184 40.896 0.288 18325
3103 1 7 . 1 1 31 31 TYR H H 31 7.509 7.509 7.469 0.040 18325
3104 1 7 . 1 1 32 32 ASP N N 32 120.754 120.754 120.872 -0.118 18325
3105 1 7 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.922 0.004 18325
3106 1 7 . 1 1 32 32 ASP C C 32 174.611 174.611 174.781 -0.170 18325
3107 1 7 . 1 1 32 32 ASP CA C 32 52.875 52.875 52.562 0.313 18325
3108 1 7 . 1 1 32 32 ASP CB C 32 42.843 42.843 44.261 -1.418 18325
3109 1 7 . 1 1 32 32 ASP H H 32 8.517 8.517 8.541 -0.024 18325
3110 1 7 . 1 1 33 33 GLU N N 33 124.650 124.650 123.178 1.472 18325
3111 1 7 . 1 1 33 33 GLU HA H 33 5.205 5.205 5.300 -0.095 18325
3112 1 7 . 1 1 33 33 GLU C C 33 175.049 175.049 175.860 -0.811 18325
3113 1 7 . 1 1 33 33 GLU CA C 33 54.489 54.489 54.667 -0.178 18325
3114 1 7 . 1 1 33 33 GLU CB C 33 32.425 32.425 31.462 0.963 18325
3115 1 7 . 1 1 33 33 GLU H H 33 8.836 8.836 8.492 0.344 18325
3116 1 7 . 1 1 34 34 VAL N N 34 128.112 128.112 122.595 5.517 18325
3117 1 7 . 1 1 34 34 VAL HA H 34 4.062 4.062 3.980 0.082 18325
3118 1 7 . 1 1 34 34 VAL C C 34 173.620 173.620 177.188 -3.568 18325
3119 1 7 . 1 1 34 34 VAL CA C 34 61.427 61.427 61.551 -0.124 18325
3120 1 7 . 1 1 34 34 VAL CB C 34 34.690 34.690 32.138 2.552 18325
3121 1 7 . 1 1 34 34 VAL H H 34 8.615 8.615 8.590 0.025 18325
3122 1 7 . 1 1 35 35 ASP N N 35 127.319 127.319 123.545 3.774 18325
3123 1 7 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.395 0.542 18325
3124 1 7 . 1 1 35 35 ASP C C 35 179.260 179.260 177.961 1.299 18325
3125 1 7 . 1 1 35 35 ASP CA C 35 61.428 61.428 56.566 4.862 18325
3126 1 7 . 1 1 35 35 ASP CB C 35 41.858 41.858 41.031 0.827 18325
3127 1 7 . 1 1 35 35 ASP H H 35 8.458 8.458 8.802 -0.344 18325
3128 1 7 . 1 1 36 36 ILE N N 36 119.537 119.537 115.520 4.017 18325
3129 1 7 . 1 1 36 36 ILE HA H 36 4.360 4.360 4.130 0.230 18325
3130 1 7 . 1 1 36 36 ILE C C 36 176.943 176.943 177.053 -0.110 18325
3131 1 7 . 1 1 36 36 ILE CA C 36 63.681 63.681 63.613 0.068 18325
3132 1 7 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.401 0.236 18325
3133 1 7 . 1 1 36 36 ILE H H 36 8.833 8.833 7.868 0.965 18325
3134 1 7 . 1 1 37 37 GLU N N 37 122.074 122.074 118.739 3.335 18325
3135 1 7 . 1 1 37 37 GLU HA H 37 4.131 4.131 3.964 0.167 18325
3136 1 7 . 1 1 37 37 GLU C C 37 177.224 177.224 177.680 -0.456 18325
3137 1 7 . 1 1 37 37 GLU CA C 37 58.503 58.503 58.670 -0.167 18325
3138 1 7 . 1 1 37 37 GLU CB C 37 29.312 29.312 29.745 -0.433 18325
3139 1 7 . 1 1 37 37 GLU H H 37 8.815 8.815 8.198 0.617 18325
3140 1 7 . 1 1 38 38 HIS N N 38 114.611 114.611 114.867 -0.256 18325
3141 1 7 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.723 0.123 18325
3142 1 7 . 1 1 38 38 HIS C C 38 174.168 174.168 175.137 -0.969 18325
3143 1 7 . 1 1 38 38 HIS CA C 38 55.189 55.189 57.051 -1.863 18325
3144 1 7 . 1 1 38 38 HIS CB C 38 30.936 30.936 31.620 -0.684 18325
3145 1 7 . 1 1 38 38 HIS H H 38 7.661 7.661 8.321 -0.660 18325
3146 1 7 . 1 1 39 39 ASN N N 39 117.944 117.944 119.043 -1.099 18325
3147 1 7 . 1 1 39 39 ASN HA H 39 4.900 4.900 4.822 0.078 18325
3148 1 7 . 1 1 39 39 ASN C C 39 173.626 173.626 175.717 -2.091 18325
3149 1 7 . 1 1 39 39 ASN CA C 39 52.634 52.634 51.968 0.666 18325
3150 1 7 . 1 1 39 39 ASN CB C 39 39.436 39.436 38.928 0.508 18325
3151 1 7 . 1 1 39 39 ASN H H 39 7.095 7.095 8.235 -1.140 18325
3152 1 7 . 1 1 40 40 ARG N N 40 126.603 126.603 127.512 -0.909 18325
3153 1 7 . 1 1 40 40 ARG HA H 40 4.142 4.142 4.212 -0.070 18325
3154 1 7 . 1 1 40 40 ARG C C 40 178.292 178.292 177.333 0.959 18325
3155 1 7 . 1 1 40 40 ARG CA C 40 59.371 59.371 59.009 0.362 18325
3156 1 7 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.743 0.176 18325
3157 1 7 . 1 1 40 40 ARG H H 40 8.750 8.750 8.775 -0.025 18325
3158 1 7 . 1 1 41 41 ALA N N 41 122.148 122.148 123.210 -1.062 18325
3159 1 7 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.154 0.048 18325
3160 1 7 . 1 1 41 41 ALA C C 41 181.236 181.236 178.895 2.341 18325
3161 1 7 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.874 0.202 18325
3162 1 7 . 1 1 41 41 ALA CB C 41 17.795 17.795 18.284 -0.489 18325
3163 1 7 . 1 1 41 41 ALA H H 41 8.460 8.460 8.021 0.439 18325
3164 1 7 . 1 1 42 42 ALA N N 42 122.394 122.394 118.792 3.602 18325
3165 1 7 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.257 -0.033 18325
3166 1 7 . 1 1 42 42 ALA C C 42 178.949 178.949 178.916 0.033 18325
3167 1 7 . 1 1 42 42 ALA CA C 42 54.423 54.423 53.681 0.742 18325
3168 1 7 . 1 1 42 42 ALA CB C 42 19.786 19.786 18.750 1.036 18325
3169 1 7 . 1 1 42 42 ALA H H 42 7.973 7.973 8.094 -0.121 18325
3170 1 7 . 1 1 43 43 ALA N N 43 120.965 120.965 122.305 -1.340 18325
3171 1 7 . 1 1 43 43 ALA HA H 43 3.788 3.788 4.136 -0.348 18325
3172 1 7 . 1 1 43 43 ALA C C 43 179.994 179.994 179.816 0.178 18325
3173 1 7 . 1 1 43 43 ALA CA C 43 56.189 56.189 55.098 1.091 18325
3174 1 7 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.435 -0.402 18325
3175 1 7 . 1 1 43 43 ALA H H 43 8.170 8.170 7.593 0.577 18325
3176 1 7 . 1 1 44 44 GLU N N 44 117.052 117.052 118.096 -1.044 18325
3177 1 7 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.101 -0.148 18325
3178 1 7 . 1 1 44 44 GLU C C 44 179.698 179.698 178.781 0.917 18325
3179 1 7 . 1 1 44 44 GLU CA C 44 58.934 58.934 58.441 0.493 18325
3180 1 7 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.555 -0.429 18325
3181 1 7 . 1 1 44 44 GLU H H 44 8.240 8.240 8.436 -0.196 18325
3182 1 7 . 1 1 45 45 PHE N N 45 122.282 122.282 121.307 0.975 18325
3183 1 7 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.261 -0.029 18325
3184 1 7 . 1 1 45 45 PHE C C 45 177.994 177.994 176.443 1.551 18325
3185 1 7 . 1 1 45 45 PHE CA C 45 61.170 61.170 61.055 0.115 18325
3186 1 7 . 1 1 45 45 PHE CB C 45 38.225 38.225 39.069 -0.844 18325
3187 1 7 . 1 1 45 45 PHE H H 45 8.068 8.068 7.557 0.511 18325
3188 1 7 . 1 1 46 46 VAL N N 46 120.442 120.442 119.212 1.230 18325
3189 1 7 . 1 1 46 46 VAL HA H 46 2.908 2.908 3.179 -0.271 18325
3190 1 7 . 1 1 46 46 VAL C C 46 178.852 178.852 177.903 0.949 18325
3191 1 7 . 1 1 46 46 VAL CA C 46 67.186 67.186 67.039 0.147 18325
3192 1 7 . 1 1 46 46 VAL CB C 46 31.143 31.143 30.887 0.256 18325
3193 1 7 . 1 1 46 46 VAL H H 46 8.363 8.363 7.576 0.787 18325
3194 1 7 . 1 1 47 47 GLY N N 47 105.864 105.864 105.914 -0.050 18325
3195 1 7 . 1 1 47 47 GLY C C 47 176.759 176.759 175.925 0.834 18325
3196 1 7 . 1 1 47 47 GLY CA C 47 46.690 46.690 47.155 -0.465 18325
3197 1 7 . 1 1 47 47 GLY H H 47 8.187 8.187 7.556 0.631 18325
3198 1 7 . 1 1 48 48 SER N N 48 118.796 118.796 117.207 1.589 18325
3199 1 7 . 1 1 48 48 SER HA H 48 4.201 4.201 4.181 0.020 18325
3200 1 7 . 1 1 48 48 SER C C 48 176.571 176.571 176.500 0.071 18325
3201 1 7 . 1 1 48 48 SER CA C 48 61.440 61.440 61.089 0.351 18325
3202 1 7 . 1 1 48 48 SER CB C 48 62.661 62.661 63.159 -0.498 18325
3203 1 7 . 1 1 48 48 SER H H 48 8.045 8.045 7.522 0.523 18325
3204 1 7 . 1 1 49 49 VAL N N 49 114.967 114.967 119.297 -4.330 18325
3205 1 7 . 1 1 49 49 VAL HA H 49 4.356 4.356 3.657 0.699 18325
3206 1 7 . 1 1 49 49 VAL C C 49 175.807 175.807 176.598 -0.791 18325
3207 1 7 . 1 1 49 49 VAL CA C 49 62.064 62.064 63.602 -1.538 18325
3208 1 7 . 1 1 49 49 VAL CB C 49 31.110 31.110 31.710 -0.600 18325
3209 1 7 . 1 1 49 49 VAL H H 49 7.040 7.040 7.829 -0.789 18325
3210 1 7 . 1 1 50 50 ASN N N 50 119.765 119.765 115.232 4.533 18325
3211 1 7 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.720 0.414 18325
3212 1 7 . 1 1 50 50 ASN C C 50 176.473 176.473 174.991 1.482 18325
3213 1 7 . 1 1 50 50 ASN CA C 50 53.454 53.454 52.465 0.989 18325
3214 1 7 . 1 1 50 50 ASN CB C 50 40.815 40.815 39.766 1.049 18325
3215 1 7 . 1 1 50 50 ASN H H 50 7.364 7.364 7.942 -0.578 18325
3216 1 7 . 1 1 51 51 GLY N N 51 110.407 110.407 107.273 3.134 18325
3217 1 7 . 1 1 51 51 GLY C C 51 174.967 174.967 175.484 -0.517 18325
3218 1 7 . 1 1 51 51 GLY CA C 51 47.543 47.543 45.421 2.122 18325
3219 1 7 . 1 1 51 51 GLY H H 51 8.546 8.546 7.520 1.026 18325
3220 1 7 . 1 1 52 52 GLY N N 52 106.482 106.482 109.557 -3.075 18325
3221 1 7 . 1 1 52 52 GLY C C 52 174.134 174.134 174.362 -0.228 18325
3222 1 7 . 1 1 52 52 GLY CA C 52 44.424 44.424 45.153 -0.729 18325
3223 1 7 . 1 1 52 52 GLY H H 52 8.810 8.810 8.932 -0.122 18325
3224 1 7 . 1 1 53 53 ASN N N 53 119.129 119.129 122.883 -3.754 18325
3225 1 7 . 1 1 53 53 ASN HA H 53 4.738 4.738 4.619 0.119 18325
3226 1 7 . 1 1 53 53 ASN C C 53 174.828 174.828 175.032 -0.204 18325
3227 1 7 . 1 1 53 53 ASN CA C 53 52.654 52.654 53.299 -0.645 18325
3228 1 7 . 1 1 53 53 ASN CB C 53 40.237 40.237 38.591 1.646 18325
3229 1 7 . 1 1 53 53 ASN H H 53 7.330 7.330 8.080 -0.750 18325
3230 1 7 . 1 1 54 54 ARG N N 54 125.094 125.094 125.761 -0.667 18325
3231 1 7 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.365 -0.231 18325
3232 1 7 . 1 1 54 54 ARG C C 54 174.863 174.863 175.253 -0.390 18325
3233 1 7 . 1 1 54 54 ARG CA C 54 55.132 55.132 55.385 -0.253 18325
3234 1 7 . 1 1 54 54 ARG CB C 54 27.409 27.409 29.459 -2.050 18325
3235 1 7 . 1 1 54 54 ARG H H 54 8.826 8.826 8.597 0.229 18325
3236 1 7 . 1 1 55 55 THR N N 55 117.920 117.920 118.205 -0.285 18325
3237 1 7 . 1 1 55 55 THR HA H 55 4.020 4.020 4.372 -0.352 18325
3238 1 7 . 1 1 55 55 THR C C 55 172.459 172.459 175.716 -3.257 18325
3239 1 7 . 1 1 55 55 THR CA C 55 63.451 63.451 63.201 0.250 18325
3240 1 7 . 1 1 55 55 THR CB C 55 69.158 69.158 69.462 -0.304 18325
3241 1 7 . 1 1 55 55 THR H H 55 6.994 6.994 7.761 -0.767 18325
3242 1 7 . 1 1 56 56 VAL N N 56 117.300 117.300 126.262 -8.962 18325
3243 1 7 . 1 1 56 56 VAL HA H 56 4.735 4.735 3.944 0.791 18325
3244 1 7 . 1 1 56 56 VAL CA C 56 56.872 56.872 66.683 -9.811 18325
3245 1 7 . 1 1 56 56 VAL CB C 56 34.378 34.378 29.987 4.391 18325
3246 1 7 . 1 1 56 56 VAL H H 56 8.172 8.172 9.019 -0.847 18325
3247 1 7 . 1 1 57 57 PRO HA H 57 5.350 5.350 4.962 0.388 18325
3248 1 7 . 1 1 57 57 PRO C C 57 176.879 176.879 175.688 1.191 18325
3249 1 7 . 1 1 57 57 PRO CA C 57 62.246 62.246 61.979 0.267 18325
3250 1 7 . 1 1 57 57 PRO CB C 57 34.293 34.293 29.822 4.471 18325
3251 1 7 . 1 1 58 58 THR N N 58 120.440 120.440 120.321 0.119 18325
3252 1 7 . 1 1 58 58 THR HA H 58 5.042 5.042 4.971 0.070 18325
3253 1 7 . 1 1 58 58 THR C C 58 172.321 172.321 172.961 -0.640 18325
3254 1 7 . 1 1 58 58 THR CA C 58 63.449 63.449 62.564 0.885 18325
3255 1 7 . 1 1 58 58 THR CB C 58 71.892 71.892 71.664 0.228 18325
3256 1 7 . 1 1 58 58 THR H H 58 7.948 7.948 8.724 -0.776 18325
3257 1 7 . 1 1 59 59 VAL N N 59 126.444 126.444 125.686 0.758 18325
3258 1 7 . 1 1 59 59 VAL HA H 59 5.095 5.095 4.968 0.127 18325
3259 1 7 . 1 1 59 59 VAL C C 59 173.176 173.176 173.206 -0.030 18325
3260 1 7 . 1 1 59 59 VAL CA C 59 60.133 60.133 59.641 0.492 18325
3261 1 7 . 1 1 59 59 VAL CB C 59 34.117 34.117 35.494 -1.377 18325
3262 1 7 . 1 1 59 59 VAL H H 59 9.428 9.428 9.265 0.163 18325
3263 1 7 . 1 1 60 60 LYS N N 60 126.183 126.183 129.029 -2.846 18325
3264 1 7 . 1 1 60 60 LYS HA H 60 5.379 5.379 4.860 0.519 18325
3265 1 7 . 1 1 60 60 LYS C C 60 175.404 175.404 175.049 0.355 18325
3266 1 7 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.812 -0.201 18325
3267 1 7 . 1 1 60 60 LYS CB C 60 37.601 37.601 34.509 3.092 18325
3268 1 7 . 1 1 60 60 LYS H H 60 9.214 9.214 8.933 0.281 18325
3269 1 7 . 1 1 61 61 PHE N N 61 126.709 126.709 124.960 1.749 18325
3270 1 7 . 1 1 61 61 PHE HA H 61 4.736 4.736 4.718 0.018 18325
3271 1 7 . 1 1 61 61 PHE C C 61 178.102 178.102 177.048 1.054 18325
3272 1 7 . 1 1 61 61 PHE CA C 61 58.048 58.048 57.044 1.004 18325
3273 1 7 . 1 1 61 61 PHE CB C 61 41.221 41.221 40.884 0.337 18325
3274 1 7 . 1 1 61 61 PHE H H 61 9.069 9.069 9.130 -0.061 18325
3275 1 7 . 1 1 62 62 ALA N N 62 123.358 123.358 122.957 0.401 18325
3276 1 7 . 1 1 62 62 ALA HA H 62 4.134 4.134 4.211 -0.077 18325
3277 1 7 . 1 1 62 62 ALA C C 62 177.754 177.754 177.368 0.386 18325
3278 1 7 . 1 1 62 62 ALA CA C 62 54.940 54.940 54.574 0.366 18325
3279 1 7 . 1 1 62 62 ALA CB C 62 19.243 19.243 18.953 0.290 18325
3280 1 7 . 1 1 62 62 ALA H H 62 9.728 9.728 8.554 1.174 18325
3281 1 7 . 1 1 63 63 ASP N N 63 113.412 113.412 115.984 -2.572 18325
3282 1 7 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.549 0.037 18325
3283 1 7 . 1 1 63 63 ASP C C 63 177.032 177.032 176.837 0.195 18325
3284 1 7 . 1 1 63 63 ASP CA C 63 53.141 53.141 53.867 -0.727 18325
3285 1 7 . 1 1 63 63 ASP CB C 63 40.040 40.040 40.399 -0.359 18325
3286 1 7 . 1 1 63 63 ASP H H 63 7.675 7.675 7.997 -0.322 18325
3287 1 7 . 1 1 64 64 GLY N N 64 109.285 109.285 108.053 1.232 18325
3288 1 7 . 1 1 64 64 GLY C C 64 173.680 173.680 174.482 -0.802 18325
3289 1 7 . 1 1 64 64 GLY CA C 64 45.328 45.328 44.773 0.555 18325
3290 1 7 . 1 1 64 64 GLY H H 64 8.361 8.361 7.758 0.603 18325
3291 1 7 . 1 1 65 65 SER N N 65 117.733 117.733 120.355 -2.622 18325
3292 1 7 . 1 1 65 65 SER HA H 65 4.567 4.567 4.606 -0.039 18325
3293 1 7 . 1 1 65 65 SER C C 65 173.595 173.595 173.796 -0.201 18325
3294 1 7 . 1 1 65 65 SER CA C 65 58.964 58.964 59.465 -0.501 18325
3295 1 7 . 1 1 65 65 SER CB C 65 64.637 64.637 63.712 0.924 18325
3296 1 7 . 1 1 65 65 SER H H 65 8.287 8.287 8.657 -0.370 18325
3297 1 7 . 1 1 66 66 THR N N 66 106.725 106.725 117.509 -10.784 18325
3298 1 7 . 1 1 66 66 THR HA H 66 6.250 6.250 5.473 0.777 18325
3299 1 7 . 1 1 66 66 THR C C 66 175.730 175.730 173.840 1.890 18325
3300 1 7 . 1 1 66 66 THR CA C 66 59.494 59.494 60.291 -0.797 18325
3301 1 7 . 1 1 66 66 THR CB C 66 73.049 73.049 70.834 2.215 18325
3302 1 7 . 1 1 66 66 THR H H 66 8.221 8.221 8.387 -0.166 18325
3303 1 7 . 1 1 67 67 LEU N N 67 117.517 117.517 125.871 -8.354 18325
3304 1 7 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.777 0.091 18325
3305 1 7 . 1 1 67 67 LEU C C 67 176.030 176.030 175.323 0.707 18325
3306 1 7 . 1 1 67 67 LEU CA C 67 54.768 54.768 54.675 0.093 18325
3307 1 7 . 1 1 67 67 LEU CB C 67 47.406 47.406 46.552 0.854 18325
3308 1 7 . 1 1 67 67 LEU H H 67 8.763 8.763 9.262 -0.499 18325
3309 1 7 . 1 1 68 68 THR N N 68 120.988 120.988 118.622 2.366 18325
3310 1 7 . 1 1 68 68 THR HA H 68 4.616 4.616 4.558 0.058 18325
3311 1 7 . 1 1 68 68 THR C C 68 173.201 173.201 173.968 -0.767 18325
3312 1 7 . 1 1 68 68 THR CA C 68 62.802 62.802 61.717 1.085 18325
3313 1 7 . 1 1 68 68 THR CB C 68 69.226 69.226 69.260 -0.034 18325
3314 1 7 . 1 1 68 68 THR H H 68 9.226 9.226 8.501 0.725 18325
3315 1 7 . 1 1 69 69 ASN N N 69 122.679 122.679 124.121 -1.442 18325
3316 1 7 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.430 -0.140 18325
3317 1 7 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.497 0.969 18325
3318 1 7 . 1 1 69 69 ASN CB C 69 38.731 38.731 38.374 0.357 18325
3319 1 7 . 1 1 69 69 ASN H H 69 9.097 9.097 8.539 0.558 18325
3320 1 7 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.840 0.029 18325
3321 1 7 . 1 1 70 70 PRO C C 70 177.239 177.239 176.135 1.104 18325
3322 1 7 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.139 0.917 18325
3323 1 7 . 1 1 70 70 PRO CB C 70 32.153 32.153 33.705 -1.552 18325
3324 1 7 . 1 1 71 71 SER N N 71 115.373 115.373 113.134 2.239 18325
3325 1 7 . 1 1 71 71 SER HA H 71 4.620 4.620 4.487 0.133 18325
3326 1 7 . 1 1 71 71 SER C C 71 175.966 175.966 176.163 -0.197 18325
3327 1 7 . 1 1 71 71 SER CA C 71 56.624 56.624 56.360 0.264 18325
3328 1 7 . 1 1 71 71 SER CB C 71 65.562 65.562 64.207 1.355 18325
3329 1 7 . 1 1 71 71 SER H H 71 8.932 8.932 8.524 0.408 18325
3330 1 7 . 1 1 72 72 ALA N N 72 124.008 124.008 129.246 -5.238 18325
3331 1 7 . 1 1 72 72 ALA HA H 72 3.763 3.763 4.107 -0.344 18325
3332 1 7 . 1 1 72 72 ALA C C 72 179.550 179.550 179.334 0.216 18325
3333 1 7 . 1 1 72 72 ALA CA C 72 55.970 55.970 54.930 1.040 18325
3334 1 7 . 1 1 72 72 ALA CB C 72 17.873 17.873 18.653 -0.780 18325
3335 1 7 . 1 1 72 72 ALA H H 72 9.235 9.235 8.920 0.315 18325
3336 1 7 . 1 1 73 73 ASP N N 73 116.584 116.584 118.496 -1.912 18325
3337 1 7 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.338 -0.008 18325
3338 1 7 . 1 1 73 73 ASP C C 73 179.219 179.219 178.178 1.041 18325
3339 1 7 . 1 1 73 73 ASP CA C 73 57.583 57.583 57.825 -0.242 18325
3340 1 7 . 1 1 73 73 ASP CB C 73 40.300 40.300 40.601 -0.301 18325
3341 1 7 . 1 1 73 73 ASP H H 73 8.277 8.277 7.891 0.386 18325
3342 1 7 . 1 1 74 74 GLU N N 74 122.057 122.057 119.057 3.000 18325
3343 1 7 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.061 -0.046 18325
3344 1 7 . 1 1 74 74 GLU C C 74 180.045 180.045 179.177 0.868 18325
3345 1 7 . 1 1 74 74 GLU CA C 74 59.199 59.199 59.255 -0.056 18325
3346 1 7 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.321 0.753 18325
3347 1 7 . 1 1 74 74 GLU H H 74 7.925 7.925 8.441 -0.516 18325
3348 1 7 . 1 1 75 75 VAL N N 75 120.141 120.141 119.755 0.386 18325
3349 1 7 . 1 1 75 75 VAL HA H 75 3.681 3.681 3.819 -0.138 18325
3350 1 7 . 1 1 75 75 VAL C C 75 177.008 177.008 178.100 -1.092 18325
3351 1 7 . 1 1 75 75 VAL CA C 75 67.172 67.172 66.466 0.706 18325
3352 1 7 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.128 0.109 18325
3353 1 7 . 1 1 75 75 VAL H H 75 7.885 7.885 8.061 -0.176 18325
3354 1 7 . 1 1 76 76 LYS N N 76 118.715 118.715 120.656 -1.941 18325
3355 1 7 . 1 1 76 76 LYS HA H 76 3.827 3.827 4.003 -0.176 18325
3356 1 7 . 1 1 76 76 LYS C C 76 178.105 178.105 178.567 -0.462 18325
3357 1 7 . 1 1 76 76 LYS CA C 76 60.397 60.397 59.984 0.413 18325
3358 1 7 . 1 1 76 76 LYS CB C 76 32.405 32.405 32.352 0.053 18325
3359 1 7 . 1 1 76 76 LYS H H 76 8.298 8.298 8.154 0.144 18325
3360 1 7 . 1 1 77 77 ALA N N 77 118.993 118.993 120.184 -1.191 18325
3361 1 7 . 1 1 77 77 ALA HA H 77 4.031 4.031 4.200 -0.169 18325
3362 1 7 . 1 1 77 77 ALA C C 77 180.450 180.450 179.983 0.467 18325
3363 1 7 . 1 1 77 77 ALA CA C 77 54.820 54.820 54.746 0.074 18325
3364 1 7 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.318 -0.118 18325
3365 1 7 . 1 1 77 77 ALA H H 77 7.985 7.985 7.816 0.169 18325
3366 1 7 . 1 1 78 78 LYS N N 78 119.952 119.952 118.699 1.253 18325
3367 1 7 . 1 1 78 78 LYS HA H 78 3.975 3.975 4.025 -0.050 18325
3368 1 7 . 1 1 78 78 LYS C C 78 177.949 177.949 178.323 -0.374 18325
3369 1 7 . 1 1 78 78 LYS CA C 78 58.079 58.079 57.417 0.662 18325
3370 1 7 . 1 1 78 78 LYS CB C 78 31.342 31.342 31.856 -0.514 18325
3371 1 7 . 1 1 78 78 LYS H H 78 7.480 7.480 7.676 -0.196 18325
3372 1 7 . 1 1 79 79 LEU N N 79 118.729 118.729 121.807 -3.078 18325
3373 1 7 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.074 -0.038 18325
3374 1 7 . 1 1 79 79 LEU C C 79 180.234 180.234 178.354 1.880 18325
3375 1 7 . 1 1 79 79 LEU CA C 79 58.096 58.096 58.158 -0.062 18325
3376 1 7 . 1 1 79 79 LEU CB C 79 41.776 41.776 41.629 0.147 18325
3377 1 7 . 1 1 79 79 LEU H H 79 8.075 8.075 8.218 -0.143 18325
3378 1 7 . 1 1 80 80 VAL N N 80 118.567 118.567 114.541 4.026 18325
3379 1 7 . 1 1 80 80 VAL HA H 80 3.733 3.733 3.673 0.060 18325
3380 1 7 . 1 1 80 80 VAL C C 80 178.390 178.390 177.422 0.968 18325
3381 1 7 . 1 1 80 80 VAL CA C 80 65.895 65.895 66.431 -0.536 18325
3382 1 7 . 1 1 80 80 VAL CB C 80 31.961 31.961 31.104 0.857 18325
3383 1 7 . 1 1 80 80 VAL H H 80 7.867 7.867 7.817 0.050 18325
3384 1 7 . 1 1 81 81 LYS N N 81 121.106 121.106 119.615 1.491 18325
3385 1 7 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.042 0.050 18325
3386 1 7 . 1 1 81 81 LYS C C 81 179.434 179.434 178.246 1.188 18325
3387 1 7 . 1 1 81 81 LYS CA C 81 58.943 58.943 58.536 0.407 18325
3388 1 7 . 1 1 81 81 LYS CB C 81 32.497 32.497 32.251 0.246 18325
3389 1 7 . 1 1 81 81 LYS H H 81 7.565 7.565 7.160 0.405 18325
3390 1 7 . 1 1 82 82 ILE N N 82 117.365 117.365 116.196 1.169 18325
3391 1 7 . 1 1 82 82 ILE HA H 82 3.953 3.953 3.977 -0.024 18325
3392 1 7 . 1 1 82 82 ILE C C 82 177.482 177.482 177.397 0.085 18325
3393 1 7 . 1 1 82 82 ILE CA C 82 63.598 63.598 62.503 1.095 18325
3394 1 7 . 1 1 82 82 ILE CB C 82 38.372 38.372 37.916 0.456 18325
3395 1 7 . 1 1 82 82 ILE H H 82 8.124 8.124 7.869 0.255 18325
3396 1 7 . 1 1 83 83 ALA N N 83 123.334 123.334 121.094 2.240 18325
3397 1 7 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.165 0.114 18325
3398 1 7 . 1 1 83 83 ALA C C 83 179.104 179.104 178.859 0.245 18325
3399 1 7 . 1 1 83 83 ALA CA C 83 53.851 53.851 53.657 0.194 18325
3400 1 7 . 1 1 83 83 ALA CB C 83 18.769 18.769 19.410 -0.641 18325
3401 1 7 . 1 1 83 83 ALA H H 83 7.867 7.867 8.319 -0.452 18325
3402 1 7 . 1 1 84 84 GLY N N 84 105.962 105.962 107.221 -1.259 18325
3403 1 7 . 1 1 84 84 GLY C C 84 174.779 174.779 174.572 0.207 18325
3404 1 7 . 1 1 84 84 GLY CA C 84 45.847 45.847 46.006 -0.159 18325
3405 1 7 . 1 1 84 84 GLY H H 84 8.019 8.019 7.977 0.042 18325
3406 1 7 . 1 1 85 85 LEU N N 85 120.702 120.702 119.958 0.744 18325
3407 1 7 . 1 1 85 85 LEU HA H 85 4.275 4.275 4.459 -0.184 18325
3408 1 7 . 1 1 85 85 LEU C C 85 177.609 177.609 176.603 1.006 18325
3409 1 7 . 1 1 85 85 LEU CA C 85 55.511 55.511 54.410 1.101 18325
3410 1 7 . 1 1 85 85 LEU CB C 85 42.449 42.449 42.035 0.414 18325
3411 1 7 . 1 1 85 85 LEU H H 85 7.727 7.727 7.471 0.256 18325
3412 1 7 . 1 1 86 86 GLU N N 86 120.386 120.386 116.366 4.020 18325
3413 1 7 . 1 1 86 86 GLU HA H 86 4.154 4.154 3.812 0.342 18325
3414 1 7 . 1 1 86 86 GLU C C 86 176.359 176.359 175.144 1.215 18325
3415 1 7 . 1 1 86 86 GLU CA C 86 56.941 56.941 57.608 -0.667 18325
3416 1 7 . 1 1 86 86 GLU CB C 86 30.180 30.180 28.447 1.733 18325
3417 1 7 . 1 1 86 86 GLU H H 86 8.238 8.238 8.639 -0.401 18325
3418 1 7 . 1 1 87 87 HIS N N 87 119.393 119.393 118.635 0.758 18325
3419 1 7 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.736 -0.146 18325
3420 1 7 . 1 1 87 87 HIS C C 87 174.000 174.000 173.886 0.114 18325
3421 1 7 . 1 1 87 87 HIS CA C 87 56.146 56.146 55.062 1.084 18325
3422 1 7 . 1 1 87 87 HIS CB C 87 30.335 30.335 29.254 1.081 18325
3423 1 7 . 1 1 87 87 HIS H H 87 8.177 8.177 8.010 0.167 18325
3424 1 8 . 1 1 2 2 VAL HA H 2 4.195 4.195 4.561 -0.366 18325
3425 1 8 . 1 1 2 2 VAL C C 2 175.805 175.805 174.295 1.510 18325
3426 1 8 . 1 1 2 2 VAL CA C 2 62.388 62.388 61.522 0.867 18325
3427 1 8 . 1 1 2 2 VAL CB C 2 32.777 32.777 34.101 -1.324 18325
3428 1 8 . 1 1 3 3 THR N N 3 119.229 119.229 119.878 -0.649 18325
3429 1 8 . 1 1 3 3 THR HA H 3 4.259 4.259 4.622 -0.363 18325
3430 1 8 . 1 1 3 3 THR C C 3 173.761 173.761 173.423 0.338 18325
3431 1 8 . 1 1 3 3 THR CA C 3 61.673 61.673 61.981 -0.308 18325
3432 1 8 . 1 1 3 3 THR CB C 3 69.846 69.846 69.403 0.443 18325
3433 1 8 . 1 1 3 3 THR H H 3 8.256 8.256 8.351 -0.095 18325
3434 1 8 . 1 1 4 4 ALA N N 4 126.635 126.635 130.431 -3.796 18325
3435 1 8 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.811 -0.657 18325
3436 1 8 . 1 1 4 4 ALA C C 4 177.002 177.002 176.442 0.560 18325
3437 1 8 . 1 1 4 4 ALA CA C 4 52.159 52.159 51.306 0.854 18325
3438 1 8 . 1 1 4 4 ALA CB C 4 19.512 19.512 19.898 -0.386 18325
3439 1 8 . 1 1 4 4 ALA H H 4 8.367 8.367 8.482 -0.115 18325
3440 1 8 . 1 1 5 5 ALA N N 5 123.621 123.621 126.272 -2.651 18325
3441 1 8 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.504 -0.237 18325
3442 1 8 . 1 1 5 5 ALA C C 5 176.288 176.288 176.175 0.113 18325
3443 1 8 . 1 1 5 5 ALA CA C 5 52.894 52.894 52.279 0.615 18325
3444 1 8 . 1 1 5 5 ALA CB C 5 19.494 19.494 19.899 -0.405 18325
3445 1 8 . 1 1 5 5 ALA H H 5 8.374 8.374 8.457 -0.083 18325
3446 1 8 . 1 1 6 6 LEU N N 6 115.731 115.731 112.706 3.025 18325
3447 1 8 . 1 1 6 6 LEU HA H 6 4.648 4.648 5.372 -0.724 18325
3448 1 8 . 1 1 6 6 LEU C C 6 175.007 175.007 175.089 -0.082 18325
3449 1 8 . 1 1 6 6 LEU CA C 6 54.263 54.263 53.105 1.159 18325
3450 1 8 . 1 1 6 6 LEU CB C 6 44.224 44.224 44.574 -0.350 18325
3451 1 8 . 1 1 6 6 LEU H H 6 7.478 7.478 7.299 0.179 18325
3452 1 8 . 1 1 7 7 THR N N 7 119.383 119.383 119.855 -0.472 18325
3453 1 8 . 1 1 7 7 THR HA H 7 4.906 4.906 4.894 0.012 18325
3454 1 8 . 1 1 7 7 THR C C 7 172.657 172.657 173.403 -0.746 18325
3455 1 8 . 1 1 7 7 THR CA C 7 61.586 61.586 62.079 -0.493 18325
3456 1 8 . 1 1 7 7 THR CB C 7 70.917 70.917 69.432 1.485 18325
3457 1 8 . 1 1 7 7 THR H H 7 8.342 8.342 9.038 -0.696 18325
3458 1 8 . 1 1 8 8 ILE N N 8 124.711 124.711 127.483 -2.772 18325
3459 1 8 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.331 0.244 18325
3460 1 8 . 1 1 8 8 ILE C C 8 172.650 172.650 174.558 -1.908 18325
3461 1 8 . 1 1 8 8 ILE CA C 8 59.206 59.206 59.975 -0.769 18325
3462 1 8 . 1 1 8 8 ILE CB C 8 40.150 40.150 40.175 -0.025 18325
3463 1 8 . 1 1 8 8 ILE H H 8 9.050 9.050 9.049 0.001 18325
3464 1 8 . 1 1 9 9 TYR N N 9 128.517 128.517 127.693 0.824 18325
3465 1 8 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.573 0.852 18325
3466 1 8 . 1 1 9 9 TYR C C 9 176.445 176.445 175.012 1.433 18325
3467 1 8 . 1 1 9 9 TYR CA C 9 57.397 57.397 58.727 -1.330 18325
3468 1 8 . 1 1 9 9 TYR CB C 9 39.232 39.232 38.511 0.721 18325
3469 1 8 . 1 1 9 9 TYR H H 9 9.094 9.094 8.288 0.806 18325
3470 1 8 . 1 1 10 10 THR N N 10 112.214 112.214 113.315 -1.101 18325
3471 1 8 . 1 1 10 10 THR HA H 10 4.778 4.778 4.688 0.090 18325
3472 1 8 . 1 1 10 10 THR C C 10 173.410 173.410 173.262 0.148 18325
3473 1 8 . 1 1 10 10 THR CA C 10 59.893 59.893 60.643 -0.750 18325
3474 1 8 . 1 1 10 10 THR CB C 10 72.063 72.063 71.867 0.196 18325
3475 1 8 . 1 1 10 10 THR H H 10 8.824 8.824 8.098 0.726 18325
3476 1 8 . 1 1 11 11 THR N N 11 103.866 103.866 113.004 -9.138 18325
3477 1 8 . 1 1 11 11 THR HA H 11 4.585 4.585 4.680 -0.095 18325
3478 1 8 . 1 1 11 11 THR C C 11 176.335 176.335 175.481 0.854 18325
3479 1 8 . 1 1 11 11 THR CA C 11 60.389 60.389 59.422 0.967 18325
3480 1 8 . 1 1 11 11 THR CB C 11 72.584 72.584 70.755 1.829 18325
3481 1 8 . 1 1 11 11 THR H H 11 6.667 6.667 8.040 -1.373 18325
3482 1 8 . 1 1 12 12 SER N N 12 116.991 116.991 115.655 1.336 18325
3483 1 8 . 1 1 12 12 SER HA H 12 4.134 4.134 4.589 -0.455 18325
3484 1 8 . 1 1 12 12 SER C C 12 174.863 174.863 174.914 -0.051 18325
3485 1 8 . 1 1 12 12 SER CA C 12 61.183 61.183 59.623 1.560 18325
3486 1 8 . 1 1 12 12 SER CB C 12 62.845 62.845 63.220 -0.375 18325
3487 1 8 . 1 1 12 12 SER H H 12 9.561 9.561 9.383 0.178 18325
3488 1 8 . 1 1 13 13 TRP N N 13 117.675 117.675 121.457 -3.782 18325
3489 1 8 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.725 0.050 18325
3490 1 8 . 1 1 13 13 TRP C C 13 175.144 175.144 176.820 -1.676 18325
3491 1 8 . 1 1 13 13 TRP CA C 13 54.555 54.555 56.879 -2.324 18325
3492 1 8 . 1 1 13 13 TRP CB C 13 28.292 28.292 28.833 -0.541 18325
3493 1 8 . 1 1 13 13 TRP H H 13 6.996 6.996 7.688 -0.692 18325
3494 1 8 . 1 1 14 14 CYS N N 14 120.513 120.513 116.080 4.433 18325
3495 1 8 . 1 1 14 14 CYS HA H 14 4.498 4.498 5.040 -0.542 18325
3496 1 8 . 1 1 14 14 CYS CA C 14 53.859 53.859 57.027 -3.168 18325
3497 1 8 . 1 1 14 14 CYS CB C 14 44.419 44.419 29.470 14.949 18325
3498 1 8 . 1 1 14 14 CYS H H 14 6.755 6.755 7.581 -0.826 18325
3499 1 8 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.242 0.135 18325
3500 1 8 . 1 1 16 16 TYR C C 16 177.495 177.495 176.989 0.506 18325
3501 1 8 . 1 1 16 16 TYR CA C 16 60.662 60.662 60.894 -0.232 18325
3502 1 8 . 1 1 16 16 TYR CB C 16 37.852 37.852 38.277 -0.425 18325
3503 1 8 . 1 1 17 17 CYS N N 17 114.160 114.160 117.144 -2.984 18325
3504 1 8 . 1 1 17 17 CYS HA H 17 3.923 3.923 3.984 -0.061 18325
3505 1 8 . 1 1 17 17 CYS C C 17 174.680 174.680 176.700 -2.020 18325
3506 1 8 . 1 1 17 17 CYS CA C 17 65.302 65.302 62.460 2.842 18325
3507 1 8 . 1 1 17 17 CYS CB C 17 33.986 33.986 25.984 8.002 18325
3508 1 8 . 1 1 17 17 CYS H H 17 8.495 8.495 8.318 0.177 18325
3509 1 8 . 1 1 18 18 LEU N N 18 119.295 119.295 120.809 -1.514 18325
3510 1 8 . 1 1 18 18 LEU HA H 18 4.031 4.031 3.827 0.204 18325
3511 1 8 . 1 1 18 18 LEU C C 18 179.001 179.001 178.578 0.423 18325
3512 1 8 . 1 1 18 18 LEU CA C 18 58.234 58.234 58.047 0.187 18325
3513 1 8 . 1 1 18 18 LEU CB C 18 41.205 41.205 41.860 -0.655 18325
3514 1 8 . 1 1 18 18 LEU H H 18 7.311 7.311 7.701 -0.390 18325
3515 1 8 . 1 1 19 19 ARG N N 19 119.771 119.771 119.399 0.372 18325
3516 1 8 . 1 1 19 19 ARG HA H 19 3.998 3.998 3.870 0.128 18325
3517 1 8 . 1 1 19 19 ARG C C 19 178.949 178.949 178.654 0.295 18325
3518 1 8 . 1 1 19 19 ARG CA C 19 59.597 59.597 59.652 -0.055 18325
3519 1 8 . 1 1 19 19 ARG CB C 19 30.006 30.006 29.906 0.100 18325
3520 1 8 . 1 1 19 19 ARG H H 19 7.469 7.469 8.027 -0.558 18325
3521 1 8 . 1 1 20 20 LEU N N 20 120.802 120.802 120.018 0.784 18325
3522 1 8 . 1 1 20 20 LEU HA H 20 4.097 4.097 3.885 0.212 18325
3523 1 8 . 1 1 20 20 LEU C C 20 177.928 177.928 177.735 0.193 18325
3524 1 8 . 1 1 20 20 LEU CA C 20 57.757 57.757 57.856 -0.099 18325
3525 1 8 . 1 1 20 20 LEU CB C 20 40.940 40.940 41.500 -0.560 18325
3526 1 8 . 1 1 20 20 LEU H H 20 8.150 8.150 7.794 0.356 18325
3527 1 8 . 1 1 21 21 LYS N N 21 117.910 117.910 118.996 -1.086 18325
3528 1 8 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.529 -0.249 18325
3529 1 8 . 1 1 21 21 LYS C C 21 178.851 178.851 178.817 0.034 18325
3530 1 8 . 1 1 21 21 LYS CA C 21 61.353 61.353 59.845 1.508 18325
3531 1 8 . 1 1 21 21 LYS CB C 21 31.698 31.698 32.050 -0.352 18325
3532 1 8 . 1 1 21 21 LYS H H 21 7.854 7.854 7.883 -0.029 18325
3533 1 8 . 1 1 22 22 THR N N 22 115.451 115.451 116.108 -0.657 18325
3534 1 8 . 1 1 22 22 THR HA H 22 3.889 3.889 3.972 -0.083 18325
3535 1 8 . 1 1 22 22 THR C C 22 176.571 176.571 176.178 0.393 18325
3536 1 8 . 1 1 22 22 THR CA C 22 66.849 66.849 66.788 0.061 18325
3537 1 8 . 1 1 22 22 THR CB C 22 68.793 68.793 68.680 0.113 18325
3538 1 8 . 1 1 22 22 THR H H 22 8.125 8.125 8.156 -0.031 18325
3539 1 8 . 1 1 23 23 ALA N N 23 125.218 125.218 124.570 0.648 18325
3540 1 8 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.067 0.207 18325
3541 1 8 . 1 1 23 23 ALA C C 23 180.948 180.948 179.611 1.337 18325
3542 1 8 . 1 1 23 23 ALA CA C 23 55.003 55.003 55.225 -0.222 18325
3543 1 8 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.126 0.716 18325
3544 1 8 . 1 1 23 23 ALA H H 23 7.892 7.892 7.660 0.232 18325
3545 1 8 . 1 1 24 24 LEU N N 24 120.007 120.007 117.553 2.454 18325
3546 1 8 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.959 0.059 18325
3547 1 8 . 1 1 24 24 LEU C C 24 179.738 179.738 179.359 0.379 18325
3548 1 8 . 1 1 24 24 LEU CA C 24 58.807 58.807 57.820 0.987 18325
3549 1 8 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.498 -1.684 18325
3550 1 8 . 1 1 24 24 LEU H H 24 8.775 8.775 8.333 0.442 18325
3551 1 8 . 1 1 25 25 THR N N 25 118.777 118.777 116.029 2.748 18325
3552 1 8 . 1 1 25 25 THR HA H 25 4.175 4.175 4.126 0.049 18325
3553 1 8 . 1 1 25 25 THR C C 25 178.539 178.539 177.159 1.380 18325
3554 1 8 . 1 1 25 25 THR CA C 25 67.138 67.138 66.460 0.678 18325
3555 1 8 . 1 1 25 25 THR CB C 25 68.679 68.679 68.500 0.179 18325
3556 1 8 . 1 1 25 25 THR H H 25 8.636 8.636 8.060 0.576 18325
3557 1 8 . 1 1 26 26 ALA N N 26 126.122 126.122 124.364 1.758 18325
3558 1 8 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.178 0.010 18325
3559 1 8 . 1 1 26 26 ALA C C 26 178.536 178.536 178.891 -0.355 18325
3560 1 8 . 1 1 26 26 ALA CA C 26 55.134 55.134 54.578 0.556 18325
3561 1 8 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.382 -0.495 18325
3562 1 8 . 1 1 26 26 ALA H H 26 8.357 8.357 8.143 0.214 18325
3563 1 8 . 1 1 27 27 ASN N N 27 114.755 114.755 116.033 -1.278 18325
3564 1 8 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.766 -0.069 18325
3565 1 8 . 1 1 27 27 ASN C C 27 172.751 172.751 174.414 -1.663 18325
3566 1 8 . 1 1 27 27 ASN CA C 27 53.712 53.712 53.082 0.630 18325
3567 1 8 . 1 1 27 27 ASN CB C 27 40.648 40.648 38.837 1.810 18325
3568 1 8 . 1 1 27 27 ASN H H 27 7.456 7.456 7.824 -0.368 18325
3569 1 8 . 1 1 28 28 ARG N N 28 115.444 115.444 112.820 2.624 18325
3570 1 8 . 1 1 28 28 ARG HA H 28 3.934 3.934 3.825 0.109 18325
3571 1 8 . 1 1 28 28 ARG C C 28 175.075 175.075 175.382 -0.307 18325
3572 1 8 . 1 1 28 28 ARG CA C 28 57.091 57.091 57.708 -0.617 18325
3573 1 8 . 1 1 28 28 ARG CB C 28 26.393 26.393 27.013 -0.620 18325
3574 1 8 . 1 1 28 28 ARG H H 28 8.183 8.183 7.513 0.670 18325
3575 1 8 . 1 1 29 29 ILE N N 29 120.976 120.976 121.327 -0.351 18325
3576 1 8 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.191 -0.112 18325
3577 1 8 . 1 1 29 29 ILE C C 29 175.050 175.050 175.019 0.031 18325
3578 1 8 . 1 1 29 29 ILE CA C 29 60.664 60.664 61.065 -0.401 18325
3579 1 8 . 1 1 29 29 ILE CB C 29 38.695 38.695 37.929 0.766 18325
3580 1 8 . 1 1 29 29 ILE H H 29 8.004 8.004 8.213 -0.209 18325
3581 1 8 . 1 1 30 30 ALA N N 30 131.099 131.099 131.851 -0.752 18325
3582 1 8 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.407 -0.239 18325
3583 1 8 . 1 1 30 30 ALA C C 30 176.360 176.360 175.608 0.752 18325
3584 1 8 . 1 1 30 30 ALA CA C 30 51.819 51.819 51.509 0.310 18325
3585 1 8 . 1 1 30 30 ALA CB C 30 19.641 19.641 19.499 0.142 18325
3586 1 8 . 1 1 30 30 ALA H H 30 8.329 8.329 8.537 -0.208 18325
3587 1 8 . 1 1 31 31 TYR N N 31 114.363 114.363 120.491 -6.128 18325
3588 1 8 . 1 1 31 31 TYR HA H 31 5.133 5.133 5.458 -0.325 18325
3589 1 8 . 1 1 31 31 TYR C C 31 173.470 173.470 174.085 -0.615 18325
3590 1 8 . 1 1 31 31 TYR CA C 31 55.522 55.522 54.378 1.144 18325
3591 1 8 . 1 1 31 31 TYR CB C 31 41.184 41.184 40.962 0.222 18325
3592 1 8 . 1 1 31 31 TYR H H 31 7.509 7.509 7.623 -0.114 18325
3593 1 8 . 1 1 32 32 ASP N N 32 120.754 120.754 121.866 -1.112 18325
3594 1 8 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.879 0.047 18325
3595 1 8 . 1 1 32 32 ASP C C 32 174.611 174.611 175.199 -0.588 18325
3596 1 8 . 1 1 32 32 ASP CA C 32 52.875 52.875 52.081 0.794 18325
3597 1 8 . 1 1 32 32 ASP CB C 32 42.843 42.843 43.193 -0.350 18325
3598 1 8 . 1 1 32 32 ASP H H 32 8.517 8.517 8.862 -0.345 18325
3599 1 8 . 1 1 33 33 GLU N N 33 124.650 124.650 124.083 0.567 18325
3600 1 8 . 1 1 33 33 GLU HA H 33 5.205 5.205 5.075 0.130 18325
3601 1 8 . 1 1 33 33 GLU C C 33 175.049 175.049 175.957 -0.908 18325
3602 1 8 . 1 1 33 33 GLU CA C 33 54.489 54.489 55.368 -0.879 18325
3603 1 8 . 1 1 33 33 GLU CB C 33 32.425 32.425 30.642 1.783 18325
3604 1 8 . 1 1 33 33 GLU H H 33 8.836 8.836 8.598 0.238 18325
3605 1 8 . 1 1 34 34 VAL N N 34 128.112 128.112 123.133 4.979 18325
3606 1 8 . 1 1 34 34 VAL HA H 34 4.062 4.062 4.185 -0.123 18325
3607 1 8 . 1 1 34 34 VAL C C 34 173.620 173.620 176.763 -3.143 18325
3608 1 8 . 1 1 34 34 VAL CA C 34 61.427 61.427 61.159 0.268 18325
3609 1 8 . 1 1 34 34 VAL CB C 34 34.690 34.690 33.279 1.411 18325
3610 1 8 . 1 1 34 34 VAL H H 34 8.615 8.615 8.430 0.185 18325
3611 1 8 . 1 1 35 35 ASP N N 35 127.319 127.319 124.809 2.510 18325
3612 1 8 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.426 0.511 18325
3613 1 8 . 1 1 35 35 ASP C C 35 179.260 179.260 178.056 1.204 18325
3614 1 8 . 1 1 35 35 ASP CA C 35 61.428 61.428 56.296 5.132 18325
3615 1 8 . 1 1 35 35 ASP CB C 35 41.858 41.858 40.137 1.721 18325
3616 1 8 . 1 1 35 35 ASP H H 35 8.458 8.458 8.950 -0.492 18325
3617 1 8 . 1 1 36 36 ILE N N 36 119.537 119.537 116.905 2.632 18325
3618 1 8 . 1 1 36 36 ILE HA H 36 4.360 4.360 3.977 0.383 18325
3619 1 8 . 1 1 36 36 ILE C C 36 176.943 176.943 176.907 0.036 18325
3620 1 8 . 1 1 36 36 ILE CA C 36 63.681 63.681 63.838 -0.157 18325
3621 1 8 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.167 0.470 18325
3622 1 8 . 1 1 36 36 ILE H H 36 8.833 8.833 7.731 1.102 18325
3623 1 8 . 1 1 37 37 GLU N N 37 122.074 122.074 119.273 2.801 18325
3624 1 8 . 1 1 37 37 GLU HA H 37 4.131 4.131 3.771 0.360 18325
3625 1 8 . 1 1 37 37 GLU C C 37 177.224 177.224 178.206 -0.982 18325
3626 1 8 . 1 1 37 37 GLU CA C 37 58.503 58.503 58.688 -0.185 18325
3627 1 8 . 1 1 37 37 GLU CB C 37 29.312 29.312 29.363 -0.051 18325
3628 1 8 . 1 1 37 37 GLU H H 37 8.815 8.815 8.261 0.554 18325
3629 1 8 . 1 1 38 38 HIS N N 38 114.611 114.611 113.407 1.204 18325
3630 1 8 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.682 0.164 18325
3631 1 8 . 1 1 38 38 HIS C C 38 174.168 174.168 175.276 -1.108 18325
3632 1 8 . 1 1 38 38 HIS CA C 38 55.189 55.189 57.465 -2.276 18325
3633 1 8 . 1 1 38 38 HIS CB C 38 30.936 30.936 31.373 -0.437 18325
3634 1 8 . 1 1 38 38 HIS H H 38 7.661 7.661 8.275 -0.614 18325
3635 1 8 . 1 1 39 39 ASN N N 39 117.944 117.944 117.830 0.114 18325
3636 1 8 . 1 1 39 39 ASN HA H 39 4.900 4.900 5.028 -0.128 18325
3637 1 8 . 1 1 39 39 ASN C C 39 173.626 173.626 175.478 -1.852 18325
3638 1 8 . 1 1 39 39 ASN CA C 39 52.634 52.634 52.169 0.465 18325
3639 1 8 . 1 1 39 39 ASN CB C 39 39.436 39.436 39.648 -0.212 18325
3640 1 8 . 1 1 39 39 ASN H H 39 7.095 7.095 7.646 -0.551 18325
3641 1 8 . 1 1 40 40 ARG N N 40 126.603 126.603 123.968 2.635 18325
3642 1 8 . 1 1 40 40 ARG HA H 40 4.142 4.142 4.098 0.044 18325
3643 1 8 . 1 1 40 40 ARG C C 40 178.292 178.292 177.555 0.737 18325
3644 1 8 . 1 1 40 40 ARG CA C 40 59.371 59.371 59.265 0.106 18325
3645 1 8 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.602 0.317 18325
3646 1 8 . 1 1 40 40 ARG H H 40 8.750 8.750 8.946 -0.196 18325
3647 1 8 . 1 1 41 41 ALA N N 41 122.148 122.148 121.834 0.314 18325
3648 1 8 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.155 0.047 18325
3649 1 8 . 1 1 41 41 ALA C C 41 181.236 181.236 179.456 1.780 18325
3650 1 8 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.720 0.356 18325
3651 1 8 . 1 1 41 41 ALA CB C 41 17.795 17.795 17.871 -0.076 18325
3652 1 8 . 1 1 41 41 ALA H H 41 8.460 8.460 8.519 -0.059 18325
3653 1 8 . 1 1 42 42 ALA N N 42 122.394 122.394 119.377 3.017 18325
3654 1 8 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.192 0.032 18325
3655 1 8 . 1 1 42 42 ALA C C 42 178.949 178.949 178.881 0.068 18325
3656 1 8 . 1 1 42 42 ALA CA C 42 54.423 54.423 53.894 0.529 18325
3657 1 8 . 1 1 42 42 ALA CB C 42 19.786 19.786 19.042 0.744 18325
3658 1 8 . 1 1 42 42 ALA H H 42 7.973 7.973 7.544 0.429 18325
3659 1 8 . 1 1 43 43 ALA N N 43 120.965 120.965 121.778 -0.813 18325
3660 1 8 . 1 1 43 43 ALA HA H 43 3.788 3.788 4.106 -0.318 18325
3661 1 8 . 1 1 43 43 ALA C C 43 179.994 179.994 180.326 -0.332 18325
3662 1 8 . 1 1 43 43 ALA CA C 43 56.189 56.189 54.986 1.204 18325
3663 1 8 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.311 -0.278 18325
3664 1 8 . 1 1 43 43 ALA H H 43 8.170 8.170 7.719 0.451 18325
3665 1 8 . 1 1 44 44 GLU N N 44 117.052 117.052 119.263 -2.211 18325
3666 1 8 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.106 -0.153 18325
3667 1 8 . 1 1 44 44 GLU C C 44 179.698 179.698 178.382 1.316 18325
3668 1 8 . 1 1 44 44 GLU CA C 44 58.934 58.934 58.806 0.128 18325
3669 1 8 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.285 -0.159 18325
3670 1 8 . 1 1 44 44 GLU H H 44 8.240 8.240 8.707 -0.467 18325
3671 1 8 . 1 1 45 45 PHE N N 45 122.282 122.282 120.878 1.404 18325
3672 1 8 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.287 -0.055 18325
3673 1 8 . 1 1 45 45 PHE C C 45 177.994 177.994 176.819 1.175 18325
3674 1 8 . 1 1 45 45 PHE CA C 45 61.170 61.170 61.227 -0.057 18325
3675 1 8 . 1 1 45 45 PHE CB C 45 38.225 38.225 38.829 -0.604 18325
3676 1 8 . 1 1 45 45 PHE H H 45 8.068 8.068 7.469 0.599 18325
3677 1 8 . 1 1 46 46 VAL N N 46 120.442 120.442 118.164 2.278 18325
3678 1 8 . 1 1 46 46 VAL HA H 46 2.908 2.908 3.186 -0.278 18325
3679 1 8 . 1 1 46 46 VAL C C 46 178.852 178.852 178.108 0.744 18325
3680 1 8 . 1 1 46 46 VAL CA C 46 67.186 67.186 66.461 0.725 18325
3681 1 8 . 1 1 46 46 VAL CB C 46 31.143 31.143 31.053 0.090 18325
3682 1 8 . 1 1 46 46 VAL H H 46 8.363 8.363 7.599 0.764 18325
3683 1 8 . 1 1 47 47 GLY N N 47 105.864 105.864 106.616 -0.752 18325
3684 1 8 . 1 1 47 47 GLY C C 47 176.759 176.759 175.894 0.865 18325
3685 1 8 . 1 1 47 47 GLY CA C 47 46.690 46.690 47.023 -0.333 18325
3686 1 8 . 1 1 47 47 GLY H H 47 8.187 8.187 7.576 0.611 18325
3687 1 8 . 1 1 48 48 SER N N 48 118.796 118.796 117.454 1.342 18325
3688 1 8 . 1 1 48 48 SER HA H 48 4.201 4.201 4.180 0.021 18325
3689 1 8 . 1 1 48 48 SER C C 48 176.571 176.571 176.172 0.399 18325
3690 1 8 . 1 1 48 48 SER CA C 48 61.440 61.440 61.419 0.021 18325
3691 1 8 . 1 1 48 48 SER CB C 48 62.661 62.661 62.690 -0.029 18325
3692 1 8 . 1 1 48 48 SER H H 48 8.045 8.045 8.102 -0.057 18325
3693 1 8 . 1 1 49 49 VAL N N 49 114.967 114.967 118.881 -3.914 18325
3694 1 8 . 1 1 49 49 VAL HA H 49 4.356 4.356 3.782 0.574 18325
3695 1 8 . 1 1 49 49 VAL C C 49 175.807 175.807 175.612 0.195 18325
3696 1 8 . 1 1 49 49 VAL CA C 49 62.064 62.064 62.732 -0.668 18325
3697 1 8 . 1 1 49 49 VAL CB C 49 31.110 31.110 31.658 -0.548 18325
3698 1 8 . 1 1 49 49 VAL H H 49 7.040 7.040 7.816 -0.776 18325
3699 1 8 . 1 1 50 50 ASN N N 50 119.765 119.765 116.474 3.291 18325
3700 1 8 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.713 0.421 18325
3701 1 8 . 1 1 50 50 ASN C C 50 176.473 176.473 175.940 0.533 18325
3702 1 8 . 1 1 50 50 ASN CA C 50 53.454 53.454 54.399 -0.945 18325
3703 1 8 . 1 1 50 50 ASN CB C 50 40.815 40.815 41.173 -0.358 18325
3704 1 8 . 1 1 50 50 ASN H H 50 7.364 7.364 7.591 -0.227 18325
3705 1 8 . 1 1 51 51 GLY N N 51 110.407 110.407 107.487 2.920 18325
3706 1 8 . 1 1 51 51 GLY C C 51 174.967 174.967 173.201 1.766 18325
3707 1 8 . 1 1 51 51 GLY CA C 51 47.543 47.543 44.704 2.839 18325
3708 1 8 . 1 1 51 51 GLY H H 51 8.546 8.546 8.438 0.108 18325
3709 1 8 . 1 1 52 52 GLY N N 52 106.482 106.482 109.516 -3.034 18325
3710 1 8 . 1 1 52 52 GLY C C 52 174.134 174.134 174.387 -0.253 18325
3711 1 8 . 1 1 52 52 GLY CA C 52 44.424 44.424 45.125 -0.701 18325
3712 1 8 . 1 1 52 52 GLY H H 52 8.810 8.810 8.424 0.386 18325
3713 1 8 . 1 1 53 53 ASN N N 53 119.129 119.129 119.780 -0.651 18325
3714 1 8 . 1 1 53 53 ASN HA H 53 4.738 4.738 4.691 0.047 18325
3715 1 8 . 1 1 53 53 ASN C C 53 174.828 174.828 174.452 0.376 18325
3716 1 8 . 1 1 53 53 ASN CA C 53 52.654 52.654 52.276 0.378 18325
3717 1 8 . 1 1 53 53 ASN CB C 53 40.237 40.237 39.305 0.932 18325
3718 1 8 . 1 1 53 53 ASN H H 53 7.330 7.330 8.091 -0.761 18325
3719 1 8 . 1 1 54 54 ARG N N 54 125.094 125.094 128.008 -2.914 18325
3720 1 8 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.294 -0.160 18325
3721 1 8 . 1 1 54 54 ARG C C 54 174.863 174.863 175.279 -0.416 18325
3722 1 8 . 1 1 54 54 ARG CA C 54 55.132 55.132 55.917 -0.785 18325
3723 1 8 . 1 1 54 54 ARG CB C 54 27.409 27.409 29.518 -2.109 18325
3724 1 8 . 1 1 54 54 ARG H H 54 8.826 8.826 8.590 0.236 18325
3725 1 8 . 1 1 55 55 THR N N 55 117.920 117.920 121.117 -3.197 18325
3726 1 8 . 1 1 55 55 THR HA H 55 4.020 4.020 4.332 -0.312 18325
3727 1 8 . 1 1 55 55 THR C C 55 172.459 172.459 175.380 -2.921 18325
3728 1 8 . 1 1 55 55 THR CA C 55 63.451 63.451 62.809 0.642 18325
3729 1 8 . 1 1 55 55 THR CB C 55 69.158 69.158 69.328 -0.170 18325
3730 1 8 . 1 1 55 55 THR H H 55 6.994 6.994 8.158 -1.164 18325
3731 1 8 . 1 1 56 56 VAL N N 56 117.300 117.300 126.074 -8.774 18325
3732 1 8 . 1 1 56 56 VAL HA H 56 4.735 4.735 4.077 0.658 18325
3733 1 8 . 1 1 56 56 VAL CA C 56 56.872 56.872 66.238 -9.366 18325
3734 1 8 . 1 1 56 56 VAL CB C 56 34.378 34.378 29.420 4.958 18325
3735 1 8 . 1 1 56 56 VAL H H 56 8.172 8.172 8.880 -0.708 18325
3736 1 8 . 1 1 57 57 PRO HA H 57 5.350 5.350 4.928 0.422 18325
3737 1 8 . 1 1 57 57 PRO C C 57 176.879 176.879 176.212 0.667 18325
3738 1 8 . 1 1 57 57 PRO CA C 57 62.246 62.246 61.999 0.247 18325
3739 1 8 . 1 1 57 57 PRO CB C 57 34.293 34.293 29.827 4.466 18325
3740 1 8 . 1 1 58 58 THR N N 58 120.440 120.440 118.071 2.369 18325
3741 1 8 . 1 1 58 58 THR HA H 58 5.042 5.042 4.607 0.435 18325
3742 1 8 . 1 1 58 58 THR C C 58 172.321 172.321 173.711 -1.390 18325
3743 1 8 . 1 1 58 58 THR CA C 58 63.449 63.449 64.083 -0.634 18325
3744 1 8 . 1 1 58 58 THR CB C 58 71.892 71.892 69.615 2.277 18325
3745 1 8 . 1 1 58 58 THR H H 58 7.948 7.948 8.428 -0.480 18325
3746 1 8 . 1 1 59 59 VAL N N 59 126.444 126.444 128.302 -1.858 18325
3747 1 8 . 1 1 59 59 VAL HA H 59 5.095 5.095 4.484 0.611 18325
3748 1 8 . 1 1 59 59 VAL C C 59 173.176 173.176 173.570 -0.394 18325
3749 1 8 . 1 1 59 59 VAL CA C 59 60.133 60.133 60.411 -0.278 18325
3750 1 8 . 1 1 59 59 VAL CB C 59 34.117 34.117 33.898 0.219 18325
3751 1 8 . 1 1 59 59 VAL H H 59 9.428 9.428 8.671 0.757 18325
3752 1 8 . 1 1 60 60 LYS N N 60 126.183 126.183 129.559 -3.376 18325
3753 1 8 . 1 1 60 60 LYS HA H 60 5.379 5.379 4.930 0.449 18325
3754 1 8 . 1 1 60 60 LYS C C 60 175.404 175.404 175.296 0.108 18325
3755 1 8 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.761 -0.151 18325
3756 1 8 . 1 1 60 60 LYS CB C 60 37.601 37.601 34.043 3.558 18325
3757 1 8 . 1 1 60 60 LYS H H 60 9.214 9.214 8.942 0.272 18325
3758 1 8 . 1 1 61 61 PHE N N 61 126.709 126.709 124.541 2.168 18325
3759 1 8 . 1 1 61 61 PHE HA H 61 4.736 4.736 5.028 -0.292 18325
3760 1 8 . 1 1 61 61 PHE C C 61 178.102 178.102 177.399 0.703 18325
3761 1 8 . 1 1 61 61 PHE CA C 61 58.048 58.048 57.750 0.298 18325
3762 1 8 . 1 1 61 61 PHE CB C 61 41.221 41.221 40.816 0.405 18325
3763 1 8 . 1 1 61 61 PHE H H 61 9.069 9.069 9.410 -0.341 18325
3764 1 8 . 1 1 62 62 ALA N N 62 123.358 123.358 125.189 -1.831 18325
3765 1 8 . 1 1 62 62 ALA HA H 62 4.134 4.134 4.049 0.085 18325
3766 1 8 . 1 1 62 62 ALA C C 62 177.754 177.754 177.849 -0.095 18325
3767 1 8 . 1 1 62 62 ALA CA C 62 54.940 54.940 54.744 0.196 18325
3768 1 8 . 1 1 62 62 ALA CB C 62 19.243 19.243 18.374 0.869 18325
3769 1 8 . 1 1 62 62 ALA H H 62 9.728 9.728 8.929 0.799 18325
3770 1 8 . 1 1 63 63 ASP N N 63 113.412 113.412 115.268 -1.856 18325
3771 1 8 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.512 0.074 18325
3772 1 8 . 1 1 63 63 ASP C C 63 177.032 177.032 177.584 -0.552 18325
3773 1 8 . 1 1 63 63 ASP CA C 63 53.141 53.141 54.228 -1.087 18325
3774 1 8 . 1 1 63 63 ASP CB C 63 40.040 40.040 40.686 -0.646 18325
3775 1 8 . 1 1 63 63 ASP H H 63 7.675 7.675 8.039 -0.364 18325
3776 1 8 . 1 1 64 64 GLY N N 64 109.285 109.285 107.393 1.892 18325
3777 1 8 . 1 1 64 64 GLY C C 64 173.680 173.680 174.742 -1.062 18325
3778 1 8 . 1 1 64 64 GLY CA C 64 45.328 45.328 44.884 0.444 18325
3779 1 8 . 1 1 64 64 GLY H H 64 8.361 8.361 8.172 0.189 18325
3780 1 8 . 1 1 65 65 SER N N 65 117.733 117.733 117.577 0.156 18325
3781 1 8 . 1 1 65 65 SER HA H 65 4.567 4.567 4.757 -0.190 18325
3782 1 8 . 1 1 65 65 SER C C 65 173.595 173.595 173.877 -0.282 18325
3783 1 8 . 1 1 65 65 SER CA C 65 58.964 58.964 58.486 0.478 18325
3784 1 8 . 1 1 65 65 SER CB C 65 64.637 64.637 64.542 0.095 18325
3785 1 8 . 1 1 65 65 SER H H 65 8.287 8.287 8.514 -0.227 18325
3786 1 8 . 1 1 66 66 THR N N 66 106.725 106.725 112.728 -6.003 18325
3787 1 8 . 1 1 66 66 THR HA H 66 6.250 6.250 5.404 0.846 18325
3788 1 8 . 1 1 66 66 THR C C 66 175.730 175.730 173.611 2.119 18325
3789 1 8 . 1 1 66 66 THR CA C 66 59.494 59.494 60.229 -0.735 18325
3790 1 8 . 1 1 66 66 THR CB C 66 73.049 73.049 71.603 1.446 18325
3791 1 8 . 1 1 66 66 THR H H 66 8.221 8.221 8.185 0.036 18325
3792 1 8 . 1 1 67 67 LEU N N 67 117.517 117.517 121.323 -3.806 18325
3793 1 8 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.784 0.084 18325
3794 1 8 . 1 1 67 67 LEU C C 67 176.030 176.030 175.044 0.986 18325
3795 1 8 . 1 1 67 67 LEU CA C 67 54.768 54.768 54.900 -0.132 18325
3796 1 8 . 1 1 67 67 LEU CB C 67 47.406 47.406 45.938 1.468 18325
3797 1 8 . 1 1 67 67 LEU H H 67 8.763 8.763 8.957 -0.194 18325
3798 1 8 . 1 1 68 68 THR N N 68 120.988 120.988 122.999 -2.011 18325
3799 1 8 . 1 1 68 68 THR HA H 68 4.616 4.616 4.490 0.126 18325
3800 1 8 . 1 1 68 68 THR C C 68 173.201 173.201 173.921 -0.720 18325
3801 1 8 . 1 1 68 68 THR CA C 68 62.802 62.802 62.891 -0.089 18325
3802 1 8 . 1 1 68 68 THR CB C 68 69.226 69.226 69.144 0.081 18325
3803 1 8 . 1 1 68 68 THR H H 68 9.226 9.226 8.564 0.662 18325
3804 1 8 . 1 1 69 69 ASN N N 69 122.679 122.679 121.207 1.472 18325
3805 1 8 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.681 -0.391 18325
3806 1 8 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.471 0.995 18325
3807 1 8 . 1 1 69 69 ASN CB C 69 38.731 38.731 37.486 1.245 18325
3808 1 8 . 1 1 69 69 ASN H H 69 9.097 9.097 8.822 0.275 18325
3809 1 8 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.803 0.066 18325
3810 1 8 . 1 1 70 70 PRO C C 70 177.239 177.239 175.812 1.427 18325
3811 1 8 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.532 0.525 18325
3812 1 8 . 1 1 70 70 PRO CB C 70 32.153 32.153 32.973 -0.820 18325
3813 1 8 . 1 1 71 71 SER N N 71 115.373 115.373 112.373 3.000 18325
3814 1 8 . 1 1 71 71 SER HA H 71 4.620 4.620 4.783 -0.163 18325
3815 1 8 . 1 1 71 71 SER C C 71 175.966 175.966 175.525 0.441 18325
3816 1 8 . 1 1 71 71 SER CA C 71 56.624 56.624 57.004 -0.380 18325
3817 1 8 . 1 1 71 71 SER CB C 71 65.562 65.562 65.537 0.025 18325
3818 1 8 . 1 1 71 71 SER H H 71 8.932 8.932 8.208 0.724 18325
3819 1 8 . 1 1 72 72 ALA N N 72 124.008 124.008 125.152 -1.144 18325
3820 1 8 . 1 1 72 72 ALA HA H 72 3.763 3.763 3.998 -0.235 18325
3821 1 8 . 1 1 72 72 ALA C C 72 179.550 179.550 178.946 0.604 18325
3822 1 8 . 1 1 72 72 ALA CA C 72 55.970 55.970 55.649 0.321 18325
3823 1 8 . 1 1 72 72 ALA CB C 72 17.873 17.873 18.006 -0.133 18325
3824 1 8 . 1 1 72 72 ALA H H 72 9.235 9.235 8.712 0.523 18325
3825 1 8 . 1 1 73 73 ASP N N 73 116.584 116.584 116.611 -0.027 18325
3826 1 8 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.377 -0.047 18325
3827 1 8 . 1 1 73 73 ASP C C 73 179.219 179.219 178.513 0.706 18325
3828 1 8 . 1 1 73 73 ASP CA C 73 57.583 57.583 57.167 0.416 18325
3829 1 8 . 1 1 73 73 ASP CB C 73 40.300 40.300 39.643 0.657 18325
3830 1 8 . 1 1 73 73 ASP H H 73 8.277 8.277 8.812 -0.535 18325
3831 1 8 . 1 1 74 74 GLU N N 74 122.057 122.057 120.523 1.534 18325
3832 1 8 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.121 -0.106 18325
3833 1 8 . 1 1 74 74 GLU C C 74 180.045 180.045 179.173 0.872 18325
3834 1 8 . 1 1 74 74 GLU CA C 74 59.199 59.199 58.974 0.225 18325
3835 1 8 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.188 0.886 18325
3836 1 8 . 1 1 74 74 GLU H H 74 7.925 7.925 7.550 0.375 18325
3837 1 8 . 1 1 75 75 VAL N N 75 120.141 120.141 120.084 0.057 18325
3838 1 8 . 1 1 75 75 VAL HA H 75 3.681 3.681 4.013 -0.332 18325
3839 1 8 . 1 1 75 75 VAL C C 75 177.008 177.008 178.078 -1.070 18325
3840 1 8 . 1 1 75 75 VAL CA C 75 67.172 67.172 66.297 0.874 18325
3841 1 8 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.325 -0.088 18325
3842 1 8 . 1 1 75 75 VAL H H 75 7.885 7.885 8.203 -0.318 18325
3843 1 8 . 1 1 76 76 LYS N N 76 118.715 118.715 120.587 -1.872 18325
3844 1 8 . 1 1 76 76 LYS HA H 76 3.827 3.827 4.007 -0.180 18325
3845 1 8 . 1 1 76 76 LYS C C 76 178.105 178.105 178.450 -0.345 18325
3846 1 8 . 1 1 76 76 LYS CA C 76 60.397 60.397 59.779 0.618 18325
3847 1 8 . 1 1 76 76 LYS CB C 76 32.405 32.405 32.312 0.093 18325
3848 1 8 . 1 1 76 76 LYS H H 76 8.298 8.298 8.465 -0.167 18325
3849 1 8 . 1 1 77 77 ALA N N 77 118.993 118.993 120.246 -1.253 18325
3850 1 8 . 1 1 77 77 ALA HA H 77 4.031 4.031 4.156 -0.125 18325
3851 1 8 . 1 1 77 77 ALA C C 77 180.450 180.450 179.418 1.032 18325
3852 1 8 . 1 1 77 77 ALA CA C 77 54.820 54.820 54.764 0.056 18325
3853 1 8 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.251 -0.051 18325
3854 1 8 . 1 1 77 77 ALA H H 77 7.985 7.985 7.787 0.198 18325
3855 1 8 . 1 1 78 78 LYS N N 78 119.952 119.952 118.296 1.656 18325
3856 1 8 . 1 1 78 78 LYS HA H 78 3.975 3.975 4.048 -0.073 18325
3857 1 8 . 1 1 78 78 LYS C C 78 177.949 177.949 178.256 -0.307 18325
3858 1 8 . 1 1 78 78 LYS CA C 78 58.079 58.079 57.123 0.956 18325
3859 1 8 . 1 1 78 78 LYS CB C 78 31.342 31.342 31.768 -0.426 18325
3860 1 8 . 1 1 78 78 LYS H H 78 7.480 7.480 7.291 0.189 18325
3861 1 8 . 1 1 79 79 LEU N N 79 118.729 118.729 122.062 -3.333 18325
3862 1 8 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.050 -0.014 18325
3863 1 8 . 1 1 79 79 LEU C C 79 180.234 180.234 178.105 2.129 18325
3864 1 8 . 1 1 79 79 LEU CA C 79 58.096 58.096 58.389 -0.293 18325
3865 1 8 . 1 1 79 79 LEU CB C 79 41.776 41.776 41.927 -0.151 18325
3866 1 8 . 1 1 79 79 LEU H H 79 8.075 8.075 8.028 0.047 18325
3867 1 8 . 1 1 80 80 VAL N N 80 118.567 118.567 111.924 6.643 18325
3868 1 8 . 1 1 80 80 VAL HA H 80 3.733 3.733 3.332 0.401 18325
3869 1 8 . 1 1 80 80 VAL C C 80 178.390 178.390 176.422 1.968 18325
3870 1 8 . 1 1 80 80 VAL CA C 80 65.895 65.895 65.399 0.496 18325
3871 1 8 . 1 1 80 80 VAL CB C 80 31.961 31.961 31.143 0.818 18325
3872 1 8 . 1 1 80 80 VAL H H 80 7.867 7.867 7.915 -0.048 18325
3873 1 8 . 1 1 81 81 LYS N N 81 121.106 121.106 118.224 2.882 18325
3874 1 8 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.154 -0.062 18325
3875 1 8 . 1 1 81 81 LYS C C 81 179.434 179.434 179.327 0.107 18325
3876 1 8 . 1 1 81 81 LYS CA C 81 58.943 58.943 58.187 0.756 18325
3877 1 8 . 1 1 81 81 LYS CB C 81 32.497 32.497 32.802 -0.305 18325
3878 1 8 . 1 1 81 81 LYS H H 81 7.565 7.565 7.206 0.359 18325
3879 1 8 . 1 1 82 82 ILE N N 82 117.365 117.365 116.846 0.519 18325
3880 1 8 . 1 1 82 82 ILE HA H 82 3.953 3.953 4.022 -0.069 18325
3881 1 8 . 1 1 82 82 ILE C C 82 177.482 177.482 176.912 0.570 18325
3882 1 8 . 1 1 82 82 ILE CA C 82 63.598 63.598 62.570 1.028 18325
3883 1 8 . 1 1 82 82 ILE CB C 82 38.372 38.372 37.231 1.141 18325
3884 1 8 . 1 1 82 82 ILE H H 82 8.124 8.124 8.018 0.106 18325
3885 1 8 . 1 1 83 83 ALA N N 83 123.334 123.334 120.927 2.407 18325
3886 1 8 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.347 -0.068 18325
3887 1 8 . 1 1 83 83 ALA C C 83 179.104 179.104 177.505 1.599 18325
3888 1 8 . 1 1 83 83 ALA CA C 83 53.851 53.851 51.765 2.086 18325
3889 1 8 . 1 1 83 83 ALA CB C 83 18.769 18.769 19.700 -0.930 18325
3890 1 8 . 1 1 83 83 ALA H H 83 7.867 7.867 8.010 -0.143 18325
3891 1 8 . 1 1 84 84 GLY N N 84 105.962 105.962 108.522 -2.560 18325
3892 1 8 . 1 1 84 84 GLY C C 84 174.779 174.779 174.748 0.031 18325
3893 1 8 . 1 1 84 84 GLY CA C 84 45.847 45.847 46.660 -0.813 18325
3894 1 8 . 1 1 84 84 GLY H H 84 8.019 8.019 7.809 0.210 18325
3895 1 8 . 1 1 85 85 LEU N N 85 120.702 120.702 118.175 2.527 18325
3896 1 8 . 1 1 85 85 LEU HA H 85 4.275 4.275 5.015 -0.740 18325
3897 1 8 . 1 1 85 85 LEU C C 85 177.609 177.609 176.511 1.098 18325
3898 1 8 . 1 1 85 85 LEU CA C 85 55.511 55.511 53.980 1.531 18325
3899 1 8 . 1 1 85 85 LEU CB C 85 42.449 42.449 43.526 -1.077 18325
3900 1 8 . 1 1 85 85 LEU H H 85 7.727 7.727 7.894 -0.167 18325
3901 1 8 . 1 1 86 86 GLU N N 86 120.386 120.386 123.036 -2.650 18325
3902 1 8 . 1 1 86 86 GLU HA H 86 4.154 4.154 4.348 -0.194 18325
3903 1 8 . 1 1 86 86 GLU C C 86 176.359 176.359 175.089 1.270 18325
3904 1 8 . 1 1 86 86 GLU CA C 86 56.941 56.941 56.249 0.692 18325
3905 1 8 . 1 1 86 86 GLU CB C 86 30.180 30.180 28.889 1.291 18325
3906 1 8 . 1 1 86 86 GLU H H 86 8.238 8.238 7.804 0.434 18325
3907 1 8 . 1 1 87 87 HIS N N 87 119.393 119.393 120.382 -0.989 18325
3908 1 8 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.843 -0.253 18325
3909 1 8 . 1 1 87 87 HIS C C 87 174.000 174.000 173.535 0.465 18325
3910 1 8 . 1 1 87 87 HIS CA C 87 56.146 56.146 55.368 0.778 18325
3911 1 8 . 1 1 87 87 HIS CB C 87 30.335 30.335 31.235 -0.901 18325
3912 1 8 . 1 1 87 87 HIS H H 87 8.177 8.177 7.689 0.488 18325
3913 1 9 . 1 1 2 2 VAL HA H 2 4.195 4.195 4.058 0.137 18325
3914 1 9 . 1 1 2 2 VAL C C 2 175.805 175.805 175.387 0.418 18325
3915 1 9 . 1 1 2 2 VAL CA C 2 62.388 62.388 62.993 -0.605 18325
3916 1 9 . 1 1 2 2 VAL CB C 2 32.777 32.777 31.160 1.617 18325
3917 1 9 . 1 1 3 3 THR N N 3 119.229 119.229 124.216 -4.987 18325
3918 1 9 . 1 1 3 3 THR HA H 3 4.259 4.259 4.183 0.076 18325
3919 1 9 . 1 1 3 3 THR C C 3 173.761 173.761 173.944 -0.183 18325
3920 1 9 . 1 1 3 3 THR CA C 3 61.673 61.673 62.470 -0.797 18325
3921 1 9 . 1 1 3 3 THR CB C 3 69.846 69.846 67.971 1.875 18325
3922 1 9 . 1 1 3 3 THR H H 3 8.256 8.256 8.470 -0.214 18325
3923 1 9 . 1 1 4 4 ALA N N 4 126.635 126.635 129.535 -2.900 18325
3924 1 9 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.543 -0.389 18325
3925 1 9 . 1 1 4 4 ALA C C 4 177.002 177.002 177.402 -0.400 18325
3926 1 9 . 1 1 4 4 ALA CA C 4 52.159 52.159 50.893 1.266 18325
3927 1 9 . 1 1 4 4 ALA CB C 4 19.512 19.512 20.270 -0.758 18325
3928 1 9 . 1 1 4 4 ALA H H 4 8.367 8.367 7.756 0.611 18325
3929 1 9 . 1 1 5 5 ALA N N 5 123.621 123.621 121.279 2.342 18325
3930 1 9 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.240 0.027 18325
3931 1 9 . 1 1 5 5 ALA C C 5 176.288 176.288 177.001 -0.713 18325
3932 1 9 . 1 1 5 5 ALA CA C 5 52.894 52.894 53.177 -0.283 18325
3933 1 9 . 1 1 5 5 ALA CB C 5 19.494 19.494 19.186 0.308 18325
3934 1 9 . 1 1 5 5 ALA H H 5 8.374 8.374 8.592 -0.218 18325
3935 1 9 . 1 1 6 6 LEU N N 6 115.731 115.731 117.303 -1.572 18325
3936 1 9 . 1 1 6 6 LEU HA H 6 4.648 4.648 4.712 -0.064 18325
3937 1 9 . 1 1 6 6 LEU C C 6 175.007 175.007 175.797 -0.790 18325
3938 1 9 . 1 1 6 6 LEU CA C 6 54.263 54.263 53.126 1.137 18325
3939 1 9 . 1 1 6 6 LEU CB C 6 44.224 44.224 43.600 0.624 18325
3940 1 9 . 1 1 6 6 LEU H H 6 7.478 7.478 7.552 -0.074 18325
3941 1 9 . 1 1 7 7 THR N N 7 119.383 119.383 121.755 -2.372 18325
3942 1 9 . 1 1 7 7 THR HA H 7 4.906 4.906 4.985 -0.079 18325
3943 1 9 . 1 1 7 7 THR C C 7 172.657 172.657 173.636 -0.979 18325
3944 1 9 . 1 1 7 7 THR CA C 7 61.586 61.586 62.011 -0.425 18325
3945 1 9 . 1 1 7 7 THR CB C 7 70.917 70.917 68.677 2.240 18325
3946 1 9 . 1 1 7 7 THR H H 7 8.342 8.342 8.165 0.177 18325
3947 1 9 . 1 1 8 8 ILE N N 8 124.711 124.711 127.530 -2.819 18325
3948 1 9 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.596 -0.021 18325
3949 1 9 . 1 1 8 8 ILE C C 8 172.650 172.650 174.465 -1.815 18325
3950 1 9 . 1 1 8 8 ILE CA C 8 59.206 59.206 60.000 -0.794 18325
3951 1 9 . 1 1 8 8 ILE CB C 8 40.150 40.150 40.605 -0.455 18325
3952 1 9 . 1 1 8 8 ILE H H 8 9.050 9.050 8.864 0.186 18325
3953 1 9 . 1 1 9 9 TYR N N 9 128.517 128.517 127.821 0.696 18325
3954 1 9 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.717 0.708 18325
3955 1 9 . 1 1 9 9 TYR C C 9 176.445 176.445 174.874 1.571 18325
3956 1 9 . 1 1 9 9 TYR CA C 9 57.397 57.397 57.719 -0.322 18325
3957 1 9 . 1 1 9 9 TYR CB C 9 39.232 39.232 38.039 1.193 18325
3958 1 9 . 1 1 9 9 TYR H H 9 9.094 9.094 9.372 -0.278 18325
3959 1 9 . 1 1 10 10 THR N N 10 112.214 112.214 115.357 -3.143 18325
3960 1 9 . 1 1 10 10 THR HA H 10 4.778 4.778 4.692 0.086 18325
3961 1 9 . 1 1 10 10 THR C C 10 173.410 173.410 173.325 0.085 18325
3962 1 9 . 1 1 10 10 THR CA C 10 59.893 59.893 59.904 -0.011 18325
3963 1 9 . 1 1 10 10 THR CB C 10 72.063 72.063 72.161 -0.098 18325
3964 1 9 . 1 1 10 10 THR H H 10 8.824 8.824 8.110 0.714 18325
3965 1 9 . 1 1 11 11 THR N N 11 103.866 103.866 112.487 -8.621 18325
3966 1 9 . 1 1 11 11 THR HA H 11 4.585 4.585 4.481 0.104 18325
3967 1 9 . 1 1 11 11 THR C C 11 176.335 176.335 174.406 1.929 18325
3968 1 9 . 1 1 11 11 THR CA C 11 60.389 60.389 59.980 0.409 18325
3969 1 9 . 1 1 11 11 THR CB C 11 72.584 72.584 71.062 1.522 18325
3970 1 9 . 1 1 11 11 THR H H 11 6.667 6.667 7.963 -1.296 18325
3971 1 9 . 1 1 12 12 SER N N 12 116.991 116.991 115.847 1.144 18325
3972 1 9 . 1 1 12 12 SER HA H 12 4.134 4.134 4.586 -0.452 18325
3973 1 9 . 1 1 12 12 SER C C 12 174.863 174.863 175.380 -0.517 18325
3974 1 9 . 1 1 12 12 SER CA C 12 61.183 61.183 59.007 2.176 18325
3975 1 9 . 1 1 12 12 SER CB C 12 62.845 62.845 63.411 -0.566 18325
3976 1 9 . 1 1 12 12 SER H H 12 9.561 9.561 9.241 0.320 18325
3977 1 9 . 1 1 13 13 TRP N N 13 117.675 117.675 120.275 -2.600 18325
3978 1 9 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.669 0.106 18325
3979 1 9 . 1 1 13 13 TRP C C 13 175.144 175.144 176.901 -1.757 18325
3980 1 9 . 1 1 13 13 TRP CA C 13 54.555 54.555 57.108 -2.553 18325
3981 1 9 . 1 1 13 13 TRP CB C 13 28.292 28.292 28.753 -0.461 18325
3982 1 9 . 1 1 13 13 TRP H H 13 6.996 6.996 7.562 -0.566 18325
3983 1 9 . 1 1 14 14 CYS N N 14 120.513 120.513 115.734 4.779 18325
3984 1 9 . 1 1 14 14 CYS HA H 14 4.498 4.498 5.025 -0.527 18325
3985 1 9 . 1 1 14 14 CYS CA C 14 53.859 53.859 56.991 -3.132 18325
3986 1 9 . 1 1 14 14 CYS CB C 14 44.419 44.419 29.829 14.590 18325
3987 1 9 . 1 1 14 14 CYS H H 14 6.755 6.755 7.833 -1.078 18325
3988 1 9 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.270 0.107 18325
3989 1 9 . 1 1 16 16 TYR C C 16 177.495 177.495 176.717 0.778 18325
3990 1 9 . 1 1 16 16 TYR CA C 16 60.662 60.662 60.550 0.112 18325
3991 1 9 . 1 1 16 16 TYR CB C 16 37.852 37.852 38.409 -0.557 18325
3992 1 9 . 1 1 17 17 CYS N N 17 114.160 114.160 115.911 -1.751 18325
3993 1 9 . 1 1 17 17 CYS HA H 17 3.923 3.923 4.052 -0.129 18325
3994 1 9 . 1 1 17 17 CYS C C 17 174.680 174.680 176.663 -1.983 18325
3995 1 9 . 1 1 17 17 CYS CA C 17 65.302 65.302 60.237 5.065 18325
3996 1 9 . 1 1 17 17 CYS CB C 17 33.986 33.986 26.157 7.829 18325
3997 1 9 . 1 1 17 17 CYS H H 17 8.495 8.495 8.220 0.275 18325
3998 1 9 . 1 1 18 18 LEU N N 18 119.295 119.295 120.661 -1.366 18325
3999 1 9 . 1 1 18 18 LEU HA H 18 4.031 4.031 4.079 -0.048 18325
4000 1 9 . 1 1 18 18 LEU C C 18 179.001 179.001 178.722 0.279 18325
4001 1 9 . 1 1 18 18 LEU CA C 18 58.234 58.234 57.932 0.302 18325
4002 1 9 . 1 1 18 18 LEU CB C 18 41.205 41.205 41.095 0.110 18325
4003 1 9 . 1 1 18 18 LEU H H 18 7.311 7.311 7.667 -0.356 18325
4004 1 9 . 1 1 19 19 ARG N N 19 119.771 119.771 119.306 0.465 18325
4005 1 9 . 1 1 19 19 ARG HA H 19 3.998 3.998 4.079 -0.081 18325
4006 1 9 . 1 1 19 19 ARG C C 19 178.949 178.949 178.910 0.039 18325
4007 1 9 . 1 1 19 19 ARG CA C 19 59.597 59.597 58.066 1.531 18325
4008 1 9 . 1 1 19 19 ARG CB C 19 30.006 30.006 29.314 0.692 18325
4009 1 9 . 1 1 19 19 ARG H H 19 7.469 7.469 7.115 0.354 18325
4010 1 9 . 1 1 20 20 LEU N N 20 120.802 120.802 121.699 -0.897 18325
4011 1 9 . 1 1 20 20 LEU HA H 20 4.097 4.097 4.006 0.091 18325
4012 1 9 . 1 1 20 20 LEU C C 20 177.928 177.928 177.687 0.241 18325
4013 1 9 . 1 1 20 20 LEU CA C 20 57.757 57.757 57.258 0.499 18325
4014 1 9 . 1 1 20 20 LEU CB C 20 40.940 40.940 41.543 -0.603 18325
4015 1 9 . 1 1 20 20 LEU H H 20 8.150 8.150 7.709 0.441 18325
4016 1 9 . 1 1 21 21 LYS N N 21 117.910 117.910 119.313 -1.403 18325
4017 1 9 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.698 -0.418 18325
4018 1 9 . 1 1 21 21 LYS C C 21 178.851 178.851 179.083 -0.232 18325
4019 1 9 . 1 1 21 21 LYS CA C 21 61.353 61.353 60.474 0.879 18325
4020 1 9 . 1 1 21 21 LYS CB C 21 31.698 31.698 32.181 -0.482 18325
4021 1 9 . 1 1 21 21 LYS H H 21 7.854 7.854 8.075 -0.221 18325
4022 1 9 . 1 1 22 22 THR N N 22 115.451 115.451 112.193 3.258 18325
4023 1 9 . 1 1 22 22 THR HA H 22 3.889 3.889 4.023 -0.134 18325
4024 1 9 . 1 1 22 22 THR C C 22 176.571 176.571 176.256 0.315 18325
4025 1 9 . 1 1 22 22 THR CA C 22 66.849 66.849 66.028 0.821 18325
4026 1 9 . 1 1 22 22 THR CB C 22 68.793 68.793 68.509 0.284 18325
4027 1 9 . 1 1 22 22 THR H H 22 8.125 8.125 8.001 0.124 18325
4028 1 9 . 1 1 23 23 ALA N N 23 125.218 125.218 124.879 0.339 18325
4029 1 9 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.061 0.213 18325
4030 1 9 . 1 1 23 23 ALA C C 23 180.948 180.948 179.709 1.239 18325
4031 1 9 . 1 1 23 23 ALA CA C 23 55.003 55.003 54.932 0.070 18325
4032 1 9 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.218 0.624 18325
4033 1 9 . 1 1 23 23 ALA H H 23 7.892 7.892 7.401 0.491 18325
4034 1 9 . 1 1 24 24 LEU N N 24 120.007 120.007 117.740 2.267 18325
4035 1 9 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.923 0.095 18325
4036 1 9 . 1 1 24 24 LEU C C 24 179.738 179.738 179.398 0.340 18325
4037 1 9 . 1 1 24 24 LEU CA C 24 58.807 58.807 58.086 0.722 18325
4038 1 9 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.695 -1.881 18325
4039 1 9 . 1 1 24 24 LEU H H 24 8.775 8.775 8.586 0.189 18325
4040 1 9 . 1 1 25 25 THR N N 25 118.777 118.777 115.633 3.144 18325
4041 1 9 . 1 1 25 25 THR HA H 25 4.175 4.175 4.136 0.039 18325
4042 1 9 . 1 1 25 25 THR C C 25 178.539 178.539 177.242 1.297 18325
4043 1 9 . 1 1 25 25 THR CA C 25 67.138 67.138 66.443 0.695 18325
4044 1 9 . 1 1 25 25 THR CB C 25 68.679 68.679 68.853 -0.174 18325
4045 1 9 . 1 1 25 25 THR H H 25 8.636 8.636 8.409 0.227 18325
4046 1 9 . 1 1 26 26 ALA N N 26 126.122 126.122 123.722 2.400 18325
4047 1 9 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.171 0.017 18325
4048 1 9 . 1 1 26 26 ALA C C 26 178.536 178.536 178.280 0.256 18325
4049 1 9 . 1 1 26 26 ALA CA C 26 55.134 55.134 54.551 0.583 18325
4050 1 9 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.351 -0.464 18325
4051 1 9 . 1 1 26 26 ALA H H 26 8.357 8.357 8.162 0.195 18325
4052 1 9 . 1 1 27 27 ASN N N 27 114.755 114.755 114.427 0.328 18325
4053 1 9 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.746 -0.049 18325
4054 1 9 . 1 1 27 27 ASN C C 27 172.751 172.751 174.854 -2.103 18325
4055 1 9 . 1 1 27 27 ASN CA C 27 53.712 53.712 53.071 0.641 18325
4056 1 9 . 1 1 27 27 ASN CB C 27 40.648 40.648 39.033 1.615 18325
4057 1 9 . 1 1 27 27 ASN H H 27 7.456 7.456 7.647 -0.191 18325
4058 1 9 . 1 1 28 28 ARG N N 28 115.444 115.444 115.200 0.244 18325
4059 1 9 . 1 1 28 28 ARG HA H 28 3.934 3.934 3.950 -0.016 18325
4060 1 9 . 1 1 28 28 ARG C C 28 175.075 175.075 175.101 -0.026 18325
4061 1 9 . 1 1 28 28 ARG CA C 28 57.091 57.091 57.147 -0.056 18325
4062 1 9 . 1 1 28 28 ARG CB C 28 26.393 26.393 27.262 -0.869 18325
4063 1 9 . 1 1 28 28 ARG H H 28 8.183 8.183 7.699 0.484 18325
4064 1 9 . 1 1 29 29 ILE N N 29 120.976 120.976 119.905 1.071 18325
4065 1 9 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.166 -0.087 18325
4066 1 9 . 1 1 29 29 ILE C C 29 175.050 175.050 175.276 -0.226 18325
4067 1 9 . 1 1 29 29 ILE CA C 29 60.664 60.664 61.083 -0.419 18325
4068 1 9 . 1 1 29 29 ILE CB C 29 38.695 38.695 38.216 0.479 18325
4069 1 9 . 1 1 29 29 ILE H H 29 8.004 8.004 8.176 -0.172 18325
4070 1 9 . 1 1 30 30 ALA N N 30 131.099 131.099 131.434 -0.335 18325
4071 1 9 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.480 -0.312 18325
4072 1 9 . 1 1 30 30 ALA C C 30 176.360 176.360 175.590 0.770 18325
4073 1 9 . 1 1 30 30 ALA CA C 30 51.819 51.819 51.704 0.115 18325
4074 1 9 . 1 1 30 30 ALA CB C 30 19.641 19.641 19.964 -0.323 18325
4075 1 9 . 1 1 30 30 ALA H H 30 8.329 8.329 8.512 -0.183 18325
4076 1 9 . 1 1 31 31 TYR N N 31 114.363 114.363 118.988 -4.625 18325
4077 1 9 . 1 1 31 31 TYR HA H 31 5.133 5.133 5.039 0.094 18325
4078 1 9 . 1 1 31 31 TYR C C 31 173.470 173.470 173.326 0.144 18325
4079 1 9 . 1 1 31 31 TYR CA C 31 55.522 55.522 55.639 -0.117 18325
4080 1 9 . 1 1 31 31 TYR CB C 31 41.184 41.184 40.870 0.314 18325
4081 1 9 . 1 1 31 31 TYR H H 31 7.509 7.509 7.822 -0.313 18325
4082 1 9 . 1 1 32 32 ASP N N 32 120.754 120.754 121.772 -1.018 18325
4083 1 9 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.911 0.015 18325
4084 1 9 . 1 1 32 32 ASP C C 32 174.611 174.611 175.030 -0.419 18325
4085 1 9 . 1 1 32 32 ASP CA C 32 52.875 52.875 52.637 0.238 18325
4086 1 9 . 1 1 32 32 ASP CB C 32 42.843 42.843 44.013 -1.170 18325
4087 1 9 . 1 1 32 32 ASP H H 32 8.517 8.517 8.963 -0.446 18325
4088 1 9 . 1 1 33 33 GLU N N 33 124.650 124.650 122.884 1.766 18325
4089 1 9 . 1 1 33 33 GLU HA H 33 5.205 5.205 5.196 0.009 18325
4090 1 9 . 1 1 33 33 GLU C C 33 175.049 175.049 175.942 -0.893 18325
4091 1 9 . 1 1 33 33 GLU CA C 33 54.489 54.489 54.410 0.078 18325
4092 1 9 . 1 1 33 33 GLU CB C 33 32.425 32.425 31.221 1.204 18325
4093 1 9 . 1 1 33 33 GLU H H 33 8.836 8.836 8.494 0.342 18325
4094 1 9 . 1 1 34 34 VAL N N 34 128.112 128.112 122.593 5.519 18325
4095 1 9 . 1 1 34 34 VAL HA H 34 4.062 4.062 4.009 0.053 18325
4096 1 9 . 1 1 34 34 VAL C C 34 173.620 173.620 176.763 -3.143 18325
4097 1 9 . 1 1 34 34 VAL CA C 34 61.427 61.427 61.787 -0.360 18325
4098 1 9 . 1 1 34 34 VAL CB C 34 34.690 34.690 32.479 2.211 18325
4099 1 9 . 1 1 34 34 VAL H H 34 8.615 8.615 8.366 0.249 18325
4100 1 9 . 1 1 35 35 ASP N N 35 127.319 127.319 122.840 4.479 18325
4101 1 9 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.480 0.457 18325
4102 1 9 . 1 1 35 35 ASP C C 35 179.260 179.260 177.570 1.690 18325
4103 1 9 . 1 1 35 35 ASP CA C 35 61.428 61.428 55.870 5.558 18325
4104 1 9 . 1 1 35 35 ASP CB C 35 41.858 41.858 40.253 1.605 18325
4105 1 9 . 1 1 35 35 ASP H H 35 8.458 8.458 8.651 -0.193 18325
4106 1 9 . 1 1 36 36 ILE N N 36 119.537 119.537 116.710 2.827 18325
4107 1 9 . 1 1 36 36 ILE HA H 36 4.360 4.360 4.040 0.320 18325
4108 1 9 . 1 1 36 36 ILE C C 36 176.943 176.943 177.808 -0.865 18325
4109 1 9 . 1 1 36 36 ILE CA C 36 63.681 63.681 63.650 0.031 18325
4110 1 9 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.374 0.263 18325
4111 1 9 . 1 1 36 36 ILE H H 36 8.833 8.833 7.750 1.083 18325
4112 1 9 . 1 1 37 37 GLU N N 37 122.074 122.074 122.035 0.039 18325
4113 1 9 . 1 1 37 37 GLU HA H 37 4.131 4.131 3.523 0.608 18325
4114 1 9 . 1 1 37 37 GLU C C 37 177.224 177.224 177.302 -0.078 18325
4115 1 9 . 1 1 37 37 GLU CA C 37 58.503 58.503 58.531 -0.028 18325
4116 1 9 . 1 1 37 37 GLU CB C 37 29.312 29.312 29.204 0.108 18325
4117 1 9 . 1 1 37 37 GLU H H 37 8.815 8.815 8.638 0.177 18325
4118 1 9 . 1 1 38 38 HIS N N 38 114.611 114.611 114.389 0.222 18325
4119 1 9 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.837 0.009 18325
4120 1 9 . 1 1 38 38 HIS C C 38 174.168 174.168 174.190 -0.022 18325
4121 1 9 . 1 1 38 38 HIS CA C 38 55.189 55.189 55.703 -0.514 18325
4122 1 9 . 1 1 38 38 HIS CB C 38 30.936 30.936 30.515 0.422 18325
4123 1 9 . 1 1 38 38 HIS H H 38 7.661 7.661 8.098 -0.437 18325
4124 1 9 . 1 1 39 39 ASN N N 39 117.944 117.944 119.122 -1.178 18325
4125 1 9 . 1 1 39 39 ASN HA H 39 4.900 4.900 4.899 0.001 18325
4126 1 9 . 1 1 39 39 ASN C C 39 173.626 173.626 175.660 -2.034 18325
4127 1 9 . 1 1 39 39 ASN CA C 39 52.634 52.634 52.340 0.294 18325
4128 1 9 . 1 1 39 39 ASN CB C 39 39.436 39.436 39.637 -0.201 18325
4129 1 9 . 1 1 39 39 ASN H H 39 7.095 7.095 7.522 -0.427 18325
4130 1 9 . 1 1 40 40 ARG N N 40 126.603 126.603 127.154 -0.551 18325
4131 1 9 . 1 1 40 40 ARG HA H 40 4.142 4.142 4.162 -0.020 18325
4132 1 9 . 1 1 40 40 ARG C C 40 178.292 178.292 176.956 1.336 18325
4133 1 9 . 1 1 40 40 ARG CA C 40 59.371 59.371 58.975 0.396 18325
4134 1 9 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.154 0.765 18325
4135 1 9 . 1 1 40 40 ARG H H 40 8.750 8.750 8.882 -0.132 18325
4136 1 9 . 1 1 41 41 ALA N N 41 122.148 122.148 122.481 -0.333 18325
4137 1 9 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.199 0.003 18325
4138 1 9 . 1 1 41 41 ALA C C 41 181.236 181.236 179.135 2.101 18325
4139 1 9 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.782 0.294 18325
4140 1 9 . 1 1 41 41 ALA CB C 41 17.795 17.795 18.025 -0.230 18325
4141 1 9 . 1 1 41 41 ALA H H 41 8.460 8.460 8.028 0.432 18325
4142 1 9 . 1 1 42 42 ALA N N 42 122.394 122.394 119.082 3.312 18325
4143 1 9 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.215 0.009 18325
4144 1 9 . 1 1 42 42 ALA C C 42 178.949 178.949 178.921 0.028 18325
4145 1 9 . 1 1 42 42 ALA CA C 42 54.423 54.423 53.683 0.740 18325
4146 1 9 . 1 1 42 42 ALA CB C 42 19.786 19.786 18.683 1.103 18325
4147 1 9 . 1 1 42 42 ALA H H 42 7.973 7.973 8.027 -0.054 18325
4148 1 9 . 1 1 43 43 ALA N N 43 120.965 120.965 122.342 -1.377 18325
4149 1 9 . 1 1 43 43 ALA HA H 43 3.788 3.788 4.173 -0.385 18325
4150 1 9 . 1 1 43 43 ALA C C 43 179.994 179.994 179.810 0.184 18325
4151 1 9 . 1 1 43 43 ALA CA C 43 56.189 56.189 55.162 1.027 18325
4152 1 9 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.365 -0.332 18325
4153 1 9 . 1 1 43 43 ALA H H 43 8.170 8.170 7.612 0.558 18325
4154 1 9 . 1 1 44 44 GLU N N 44 117.052 117.052 117.621 -0.569 18325
4155 1 9 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.136 -0.183 18325
4156 1 9 . 1 1 44 44 GLU C C 44 179.698 179.698 178.755 0.943 18325
4157 1 9 . 1 1 44 44 GLU CA C 44 58.934 58.934 58.402 0.532 18325
4158 1 9 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.293 -0.167 18325
4159 1 9 . 1 1 44 44 GLU H H 44 8.240 8.240 8.308 -0.068 18325
4160 1 9 . 1 1 45 45 PHE N N 45 122.282 122.282 120.656 1.626 18325
4161 1 9 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.244 -0.012 18325
4162 1 9 . 1 1 45 45 PHE C C 45 177.994 177.994 176.656 1.338 18325
4163 1 9 . 1 1 45 45 PHE CA C 45 61.170 61.170 61.170 -0.000 18325
4164 1 9 . 1 1 45 45 PHE CB C 45 38.225 38.225 39.182 -0.958 18325
4165 1 9 . 1 1 45 45 PHE H H 45 8.068 8.068 7.523 0.545 18325
4166 1 9 . 1 1 46 46 VAL N N 46 120.442 120.442 117.589 2.853 18325
4167 1 9 . 1 1 46 46 VAL HA H 46 2.908 2.908 3.364 -0.456 18325
4168 1 9 . 1 1 46 46 VAL C C 46 178.852 178.852 178.229 0.623 18325
4169 1 9 . 1 1 46 46 VAL CA C 46 67.186 67.186 65.805 1.381 18325
4170 1 9 . 1 1 46 46 VAL CB C 46 31.143 31.143 30.732 0.411 18325
4171 1 9 . 1 1 46 46 VAL H H 46 8.363 8.363 7.279 1.083 18325
4172 1 9 . 1 1 47 47 GLY N N 47 105.864 105.864 106.714 -0.850 18325
4173 1 9 . 1 1 47 47 GLY C C 47 176.759 176.759 176.570 0.189 18325
4174 1 9 . 1 1 47 47 GLY CA C 47 46.690 46.690 46.757 -0.067 18325
4175 1 9 . 1 1 47 47 GLY H H 47 8.187 8.187 7.633 0.554 18325
4176 1 9 . 1 1 48 48 SER N N 48 118.796 118.796 117.334 1.462 18325
4177 1 9 . 1 1 48 48 SER HA H 48 4.201 4.201 4.210 -0.009 18325
4178 1 9 . 1 1 48 48 SER C C 48 176.571 176.571 175.847 0.724 18325
4179 1 9 . 1 1 48 48 SER CA C 48 61.440 61.440 60.361 1.079 18325
4180 1 9 . 1 1 48 48 SER CB C 48 62.661 62.661 62.848 -0.187 18325
4181 1 9 . 1 1 48 48 SER H H 48 8.045 8.045 7.454 0.591 18325
4182 1 9 . 1 1 49 49 VAL N N 49 114.967 114.967 113.316 1.651 18325
4183 1 9 . 1 1 49 49 VAL HA H 49 4.356 4.356 4.242 0.114 18325
4184 1 9 . 1 1 49 49 VAL C C 49 175.807 175.807 174.474 1.333 18325
4185 1 9 . 1 1 49 49 VAL CA C 49 62.064 62.064 60.968 1.096 18325
4186 1 9 . 1 1 49 49 VAL CB C 49 31.110 31.110 31.737 -0.627 18325
4187 1 9 . 1 1 49 49 VAL H H 49 7.040 7.040 7.076 -0.036 18325
4188 1 9 . 1 1 50 50 ASN N N 50 119.765 119.765 118.337 1.428 18325
4189 1 9 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.944 0.190 18325
4190 1 9 . 1 1 50 50 ASN C C 50 176.473 176.473 175.601 0.872 18325
4191 1 9 . 1 1 50 50 ASN CA C 50 53.454 53.454 52.165 1.289 18325
4192 1 9 . 1 1 50 50 ASN CB C 50 40.815 40.815 41.534 -0.719 18325
4193 1 9 . 1 1 50 50 ASN H H 50 7.364 7.364 7.395 -0.031 18325
4194 1 9 . 1 1 51 51 GLY N N 51 110.407 110.407 108.059 2.348 18325
4195 1 9 . 1 1 51 51 GLY C C 51 174.967 174.967 174.545 0.422 18325
4196 1 9 . 1 1 51 51 GLY CA C 51 47.543 47.543 44.293 3.250 18325
4197 1 9 . 1 1 51 51 GLY H H 51 8.546 8.546 8.746 -0.200 18325
4198 1 9 . 1 1 52 52 GLY N N 52 106.482 106.482 113.052 -6.570 18325
4199 1 9 . 1 1 52 52 GLY C C 52 174.134 174.134 174.686 -0.552 18325
4200 1 9 . 1 1 52 52 GLY CA C 52 44.424 44.424 45.310 -0.886 18325
4201 1 9 . 1 1 52 52 GLY H H 52 8.810 8.810 7.905 0.905 18325
4202 1 9 . 1 1 53 53 ASN N N 53 119.129 119.129 123.551 -4.422 18325
4203 1 9 . 1 1 53 53 ASN HA H 53 4.738 4.738 4.701 0.037 18325
4204 1 9 . 1 1 53 53 ASN C C 53 174.828 174.828 175.184 -0.356 18325
4205 1 9 . 1 1 53 53 ASN CA C 53 52.654 52.654 52.992 -0.338 18325
4206 1 9 . 1 1 53 53 ASN CB C 53 40.237 40.237 39.111 1.126 18325
4207 1 9 . 1 1 53 53 ASN H H 53 7.330 7.330 8.388 -1.058 18325
4208 1 9 . 1 1 54 54 ARG N N 54 125.094 125.094 123.088 2.006 18325
4209 1 9 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.316 -0.182 18325
4210 1 9 . 1 1 54 54 ARG C C 54 174.863 174.863 175.677 -0.814 18325
4211 1 9 . 1 1 54 54 ARG CA C 54 55.132 55.132 56.658 -1.526 18325
4212 1 9 . 1 1 54 54 ARG CB C 54 27.409 27.409 29.637 -2.228 18325
4213 1 9 . 1 1 54 54 ARG H H 54 8.826 8.826 8.568 0.258 18325
4214 1 9 . 1 1 55 55 THR N N 55 117.920 117.920 121.560 -3.640 18325
4215 1 9 . 1 1 55 55 THR HA H 55 4.020 4.020 4.398 -0.378 18325
4216 1 9 . 1 1 55 55 THR C C 55 172.459 172.459 174.810 -2.351 18325
4217 1 9 . 1 1 55 55 THR CA C 55 63.451 63.451 62.346 1.105 18325
4218 1 9 . 1 1 55 55 THR CB C 55 69.158 69.158 69.646 -0.488 18325
4219 1 9 . 1 1 55 55 THR H H 55 6.994 6.994 8.579 -1.585 18325
4220 1 9 . 1 1 56 56 VAL N N 56 117.300 117.300 121.639 -4.339 18325
4221 1 9 . 1 1 56 56 VAL HA H 56 4.735 4.735 4.231 0.504 18325
4222 1 9 . 1 1 56 56 VAL CA C 56 56.872 56.872 63.010 -6.138 18325
4223 1 9 . 1 1 56 56 VAL CB C 56 34.378 34.378 30.756 3.622 18325
4224 1 9 . 1 1 56 56 VAL H H 56 8.172 8.172 8.360 -0.188 18325
4225 1 9 . 1 1 57 57 PRO HA H 57 5.350 5.350 4.592 0.758 18325
4226 1 9 . 1 1 57 57 PRO C C 57 176.879 176.879 175.992 0.887 18325
4227 1 9 . 1 1 57 57 PRO CA C 57 62.246 62.246 63.622 -1.376 18325
4228 1 9 . 1 1 57 57 PRO CB C 57 34.293 34.293 29.749 4.544 18325
4229 1 9 . 1 1 58 58 THR N N 58 120.440 120.440 120.047 0.393 18325
4230 1 9 . 1 1 58 58 THR HA H 58 5.042 5.042 5.116 -0.074 18325
4231 1 9 . 1 1 58 58 THR C C 58 172.321 172.321 173.398 -1.077 18325
4232 1 9 . 1 1 58 58 THR CA C 58 63.449 63.449 60.757 2.692 18325
4233 1 9 . 1 1 58 58 THR CB C 58 71.892 71.892 69.930 1.962 18325
4234 1 9 . 1 1 58 58 THR H H 58 7.948 7.948 8.336 -0.388 18325
4235 1 9 . 1 1 59 59 VAL N N 59 126.444 126.444 127.837 -1.393 18325
4236 1 9 . 1 1 59 59 VAL HA H 59 5.095 5.095 4.533 0.562 18325
4237 1 9 . 1 1 59 59 VAL C C 59 173.176 173.176 173.394 -0.218 18325
4238 1 9 . 1 1 59 59 VAL CA C 59 60.133 60.133 59.963 0.170 18325
4239 1 9 . 1 1 59 59 VAL CB C 59 34.117 34.117 34.244 -0.127 18325
4240 1 9 . 1 1 59 59 VAL H H 59 9.428 9.428 9.022 0.406 18325
4241 1 9 . 1 1 60 60 LYS N N 60 126.183 126.183 129.850 -3.667 18325
4242 1 9 . 1 1 60 60 LYS HA H 60 5.379 5.379 5.302 0.077 18325
4243 1 9 . 1 1 60 60 LYS C C 60 175.404 175.404 175.294 0.110 18325
4244 1 9 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.782 -0.171 18325
4245 1 9 . 1 1 60 60 LYS CB C 60 37.601 37.601 34.737 2.864 18325
4246 1 9 . 1 1 60 60 LYS H H 60 9.214 9.214 8.805 0.409 18325
4247 1 9 . 1 1 61 61 PHE N N 61 126.709 126.709 123.644 3.065 18325
4248 1 9 . 1 1 61 61 PHE HA H 61 4.736 4.736 4.979 -0.243 18325
4249 1 9 . 1 1 61 61 PHE C C 61 178.102 178.102 177.456 0.646 18325
4250 1 9 . 1 1 61 61 PHE CA C 61 58.048 58.048 56.470 1.578 18325
4251 1 9 . 1 1 61 61 PHE CB C 61 41.221 41.221 41.401 -0.180 18325
4252 1 9 . 1 1 61 61 PHE H H 61 9.069 9.069 9.257 -0.188 18325
4253 1 9 . 1 1 62 62 ALA N N 62 123.358 123.358 123.260 0.098 18325
4254 1 9 . 1 1 62 62 ALA HA H 62 4.134 4.134 4.171 -0.037 18325
4255 1 9 . 1 1 62 62 ALA C C 62 177.754 177.754 177.852 -0.098 18325
4256 1 9 . 1 1 62 62 ALA CA C 62 54.940 54.940 54.633 0.307 18325
4257 1 9 . 1 1 62 62 ALA CB C 62 19.243 19.243 18.355 0.888 18325
4258 1 9 . 1 1 62 62 ALA H H 62 9.728 9.728 8.898 0.830 18325
4259 1 9 . 1 1 63 63 ASP N N 63 113.412 113.412 117.526 -4.114 18325
4260 1 9 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.599 -0.013 18325
4261 1 9 . 1 1 63 63 ASP C C 63 177.032 177.032 177.473 -0.441 18325
4262 1 9 . 1 1 63 63 ASP CA C 63 53.141 53.141 54.598 -1.457 18325
4263 1 9 . 1 1 63 63 ASP CB C 63 40.040 40.040 40.788 -0.748 18325
4264 1 9 . 1 1 63 63 ASP H H 63 7.675 7.675 8.013 -0.338 18325
4265 1 9 . 1 1 64 64 GLY N N 64 109.285 109.285 107.539 1.746 18325
4266 1 9 . 1 1 64 64 GLY C C 64 173.680 173.680 174.013 -0.333 18325
4267 1 9 . 1 1 64 64 GLY CA C 64 45.328 45.328 45.078 0.249 18325
4268 1 9 . 1 1 64 64 GLY H H 64 8.361 8.361 7.996 0.365 18325
4269 1 9 . 1 1 65 65 SER N N 65 117.733 117.733 116.959 0.774 18325
4270 1 9 . 1 1 65 65 SER HA H 65 4.567 4.567 4.526 0.041 18325
4271 1 9 . 1 1 65 65 SER C C 65 173.595 173.595 174.050 -0.455 18325
4272 1 9 . 1 1 65 65 SER CA C 65 58.964 58.964 59.927 -0.963 18325
4273 1 9 . 1 1 65 65 SER CB C 65 64.637 64.637 63.741 0.896 18325
4274 1 9 . 1 1 65 65 SER H H 65 8.287 8.287 8.052 0.235 18325
4275 1 9 . 1 1 66 66 THR N N 66 106.725 106.725 119.587 -12.862 18325
4276 1 9 . 1 1 66 66 THR HA H 66 6.250 6.250 5.352 0.898 18325
4277 1 9 . 1 1 66 66 THR C C 66 175.730 175.730 174.264 1.466 18325
4278 1 9 . 1 1 66 66 THR CA C 66 59.494 59.494 61.693 -2.199 18325
4279 1 9 . 1 1 66 66 THR CB C 66 73.049 73.049 71.205 1.844 18325
4280 1 9 . 1 1 66 66 THR H H 66 8.221 8.221 8.419 -0.198 18325
4281 1 9 . 1 1 67 67 LEU N N 67 117.517 117.517 128.108 -10.591 18325
4282 1 9 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.745 0.123 18325
4283 1 9 . 1 1 67 67 LEU C C 67 176.030 176.030 175.774 0.256 18325
4284 1 9 . 1 1 67 67 LEU CA C 67 54.768 54.768 53.994 0.774 18325
4285 1 9 . 1 1 67 67 LEU CB C 67 47.406 47.406 44.597 2.809 18325
4286 1 9 . 1 1 67 67 LEU H H 67 8.763 8.763 9.305 -0.542 18325
4287 1 9 . 1 1 68 68 THR N N 68 120.988 120.988 121.409 -0.421 18325
4288 1 9 . 1 1 68 68 THR HA H 68 4.616 4.616 4.645 -0.029 18325
4289 1 9 . 1 1 68 68 THR C C 68 173.201 173.201 174.599 -1.398 18325
4290 1 9 . 1 1 68 68 THR CA C 68 62.802 62.802 62.498 0.304 18325
4291 1 9 . 1 1 68 68 THR CB C 68 69.226 69.226 68.819 0.407 18325
4292 1 9 . 1 1 68 68 THR H H 68 9.226 9.226 8.782 0.444 18325
4293 1 9 . 1 1 69 69 ASN N N 69 122.679 122.679 124.238 -1.559 18325
4294 1 9 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.668 -0.378 18325
4295 1 9 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.637 0.829 18325
4296 1 9 . 1 1 69 69 ASN CB C 69 38.731 38.731 38.333 0.398 18325
4297 1 9 . 1 1 69 69 ASN H H 69 9.097 9.097 8.759 0.338 18325
4298 1 9 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.944 -0.075 18325
4299 1 9 . 1 1 70 70 PRO C C 70 177.239 177.239 175.545 1.694 18325
4300 1 9 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.324 0.733 18325
4301 1 9 . 1 1 70 70 PRO CB C 70 32.153 32.153 33.690 -1.537 18325
4302 1 9 . 1 1 71 71 SER N N 71 115.373 115.373 112.117 3.256 18325
4303 1 9 . 1 1 71 71 SER HA H 71 4.620 4.620 4.853 -0.233 18325
4304 1 9 . 1 1 71 71 SER C C 71 175.966 175.966 175.820 0.146 18325
4305 1 9 . 1 1 71 71 SER CA C 71 56.624 56.624 56.730 -0.106 18325
4306 1 9 . 1 1 71 71 SER CB C 71 65.562 65.562 65.479 0.083 18325
4307 1 9 . 1 1 71 71 SER H H 71 8.932 8.932 8.264 0.668 18325
4308 1 9 . 1 1 72 72 ALA N N 72 124.008 124.008 127.330 -3.322 18325
4309 1 9 . 1 1 72 72 ALA HA H 72 3.763 3.763 3.956 -0.193 18325
4310 1 9 . 1 1 72 72 ALA C C 72 179.550 179.550 179.242 0.308 18325
4311 1 9 . 1 1 72 72 ALA CA C 72 55.970 55.970 55.506 0.464 18325
4312 1 9 . 1 1 72 72 ALA CB C 72 17.873 17.873 18.473 -0.600 18325
4313 1 9 . 1 1 72 72 ALA H H 72 9.235 9.235 9.017 0.218 18325
4314 1 9 . 1 1 73 73 ASP N N 73 116.584 116.584 118.403 -1.819 18325
4315 1 9 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.421 -0.091 18325
4316 1 9 . 1 1 73 73 ASP C C 73 179.219 179.219 178.586 0.633 18325
4317 1 9 . 1 1 73 73 ASP CA C 73 57.583 57.583 57.771 -0.188 18325
4318 1 9 . 1 1 73 73 ASP CB C 73 40.300 40.300 40.119 0.181 18325
4319 1 9 . 1 1 73 73 ASP H H 73 8.277 8.277 8.730 -0.453 18325
4320 1 9 . 1 1 74 74 GLU N N 74 122.057 122.057 119.596 2.461 18325
4321 1 9 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.118 -0.103 18325
4322 1 9 . 1 1 74 74 GLU C C 74 180.045 180.045 179.031 1.014 18325
4323 1 9 . 1 1 74 74 GLU CA C 74 59.199 59.199 59.280 -0.081 18325
4324 1 9 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.277 0.797 18325
4325 1 9 . 1 1 74 74 GLU H H 74 7.925 7.925 8.323 -0.398 18325
4326 1 9 . 1 1 75 75 VAL N N 75 120.141 120.141 120.528 -0.387 18325
4327 1 9 . 1 1 75 75 VAL HA H 75 3.681 3.681 3.924 -0.243 18325
4328 1 9 . 1 1 75 75 VAL C C 75 177.008 177.008 178.334 -1.326 18325
4329 1 9 . 1 1 75 75 VAL CA C 75 67.172 67.172 67.221 -0.049 18325
4330 1 9 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.487 -0.250 18325
4331 1 9 . 1 1 75 75 VAL H H 75 7.885 7.885 8.283 -0.398 18325
4332 1 9 . 1 1 76 76 LYS N N 76 118.715 118.715 119.886 -1.171 18325
4333 1 9 . 1 1 76 76 LYS HA H 76 3.827 3.827 4.103 -0.276 18325
4334 1 9 . 1 1 76 76 LYS C C 76 178.105 178.105 178.624 -0.519 18325
4335 1 9 . 1 1 76 76 LYS CA C 76 60.397 60.397 59.073 1.324 18325
4336 1 9 . 1 1 76 76 LYS CB C 76 32.405 32.405 32.149 0.256 18325
4337 1 9 . 1 1 76 76 LYS H H 76 8.298 8.298 8.193 0.105 18325
4338 1 9 . 1 1 77 77 ALA N N 77 118.993 118.993 121.023 -2.030 18325
4339 1 9 . 1 1 77 77 ALA HA H 77 4.031 4.031 4.102 -0.071 18325
4340 1 9 . 1 1 77 77 ALA C C 77 180.450 180.450 179.415 1.035 18325
4341 1 9 . 1 1 77 77 ALA CA C 77 54.820 54.820 55.004 -0.184 18325
4342 1 9 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.463 -0.263 18325
4343 1 9 . 1 1 77 77 ALA H H 77 7.985 7.985 8.053 -0.068 18325
4344 1 9 . 1 1 78 78 LYS N N 78 119.952 119.952 118.102 1.850 18325
4345 1 9 . 1 1 78 78 LYS HA H 78 3.975 3.975 3.960 0.015 18325
4346 1 9 . 1 1 78 78 LYS C C 78 177.949 177.949 178.403 -0.454 18325
4347 1 9 . 1 1 78 78 LYS CA C 78 58.079 58.079 57.443 0.636 18325
4348 1 9 . 1 1 78 78 LYS CB C 78 31.342 31.342 31.665 -0.323 18325
4349 1 9 . 1 1 78 78 LYS H H 78 7.480 7.480 8.233 -0.753 18325
4350 1 9 . 1 1 79 79 LEU N N 79 118.729 118.729 121.840 -3.111 18325
4351 1 9 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.256 -0.220 18325
4352 1 9 . 1 1 79 79 LEU C C 79 180.234 180.234 178.051 2.183 18325
4353 1 9 . 1 1 79 79 LEU CA C 79 58.096 58.096 58.408 -0.312 18325
4354 1 9 . 1 1 79 79 LEU CB C 79 41.776 41.776 41.969 -0.194 18325
4355 1 9 . 1 1 79 79 LEU H H 79 8.075 8.075 8.176 -0.101 18325
4356 1 9 . 1 1 80 80 VAL N N 80 118.567 118.567 114.210 4.357 18325
4357 1 9 . 1 1 80 80 VAL HA H 80 3.733 3.733 3.760 -0.027 18325
4358 1 9 . 1 1 80 80 VAL C C 80 178.390 178.390 178.228 0.162 18325
4359 1 9 . 1 1 80 80 VAL CA C 80 65.895 65.895 65.818 0.077 18325
4360 1 9 . 1 1 80 80 VAL CB C 80 31.961 31.961 30.716 1.245 18325
4361 1 9 . 1 1 80 80 VAL H H 80 7.867 7.867 7.806 0.061 18325
4362 1 9 . 1 1 81 81 LYS N N 81 121.106 121.106 118.692 2.414 18325
4363 1 9 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.157 -0.065 18325
4364 1 9 . 1 1 81 81 LYS C C 81 179.434 179.434 178.542 0.892 18325
4365 1 9 . 1 1 81 81 LYS CA C 81 58.943 58.943 59.135 -0.192 18325
4366 1 9 . 1 1 81 81 LYS CB C 81 32.497 32.497 32.420 0.077 18325
4367 1 9 . 1 1 81 81 LYS H H 81 7.565 7.565 7.412 0.153 18325
4368 1 9 . 1 1 82 82 ILE N N 82 117.365 117.365 114.822 2.543 18325
4369 1 9 . 1 1 82 82 ILE HA H 82 3.953 3.953 4.141 -0.188 18325
4370 1 9 . 1 1 82 82 ILE C C 82 177.482 177.482 176.807 0.675 18325
4371 1 9 . 1 1 82 82 ILE CA C 82 63.598 63.598 61.870 1.728 18325
4372 1 9 . 1 1 82 82 ILE CB C 82 38.372 38.372 37.128 1.244 18325
4373 1 9 . 1 1 82 82 ILE H H 82 8.124 8.124 7.606 0.518 18325
4374 1 9 . 1 1 83 83 ALA N N 83 123.334 123.334 120.849 2.485 18325
4375 1 9 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.373 -0.094 18325
4376 1 9 . 1 1 83 83 ALA C C 83 179.104 179.104 178.428 0.676 18325
4377 1 9 . 1 1 83 83 ALA CA C 83 53.851 53.851 52.852 0.999 18325
4378 1 9 . 1 1 83 83 ALA CB C 83 18.769 18.769 19.323 -0.554 18325
4379 1 9 . 1 1 83 83 ALA H H 83 7.867 7.867 7.914 -0.047 18325
4380 1 9 . 1 1 84 84 GLY N N 84 105.962 105.962 108.102 -2.140 18325
4381 1 9 . 1 1 84 84 GLY C C 84 174.779 174.779 175.437 -0.658 18325
4382 1 9 . 1 1 84 84 GLY CA C 84 45.847 45.847 46.433 -0.586 18325
4383 1 9 . 1 1 84 84 GLY H H 84 8.019 8.019 7.654 0.365 18325
4384 1 9 . 1 1 85 85 LEU N N 85 120.702 120.702 125.026 -4.324 18325
4385 1 9 . 1 1 85 85 LEU HA H 85 4.275 4.275 4.466 -0.191 18325
4386 1 9 . 1 1 85 85 LEU C C 85 177.609 177.609 177.206 0.403 18325
4387 1 9 . 1 1 85 85 LEU CA C 85 55.511 55.511 53.947 1.564 18325
4388 1 9 . 1 1 85 85 LEU CB C 85 42.449 42.449 41.684 0.764 18325
4389 1 9 . 1 1 85 85 LEU H H 85 7.727 7.727 8.017 -0.290 18325
4390 1 9 . 1 1 86 86 GLU N N 86 120.386 120.386 118.508 1.878 18325
4391 1 9 . 1 1 86 86 GLU HA H 86 4.154 4.154 3.998 0.156 18325
4392 1 9 . 1 1 86 86 GLU C C 86 176.359 176.359 176.964 -0.605 18325
4393 1 9 . 1 1 86 86 GLU CA C 86 56.941 56.941 59.143 -2.202 18325
4394 1 9 . 1 1 86 86 GLU CB C 86 30.180 30.180 28.507 1.673 18325
4395 1 9 . 1 1 86 86 GLU H H 86 8.238 8.238 8.496 -0.258 18325
4396 1 9 . 1 1 87 87 HIS N N 87 119.393 119.393 114.193 5.200 18325
4397 1 9 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.555 0.035 18325
4398 1 9 . 1 1 87 87 HIS C C 87 174.000 174.000 174.146 -0.146 18325
4399 1 9 . 1 1 87 87 HIS CA C 87 56.146 56.146 56.121 0.025 18325
4400 1 9 . 1 1 87 87 HIS CB C 87 30.335 30.335 30.640 -0.305 18325
4401 1 9 . 1 1 87 87 HIS H H 87 8.177 8.177 8.034 0.143 18325
4402 1 10 . 1 1 2 2 VAL HA H 2 4.195 4.195 3.844 0.351 18325
4403 1 10 . 1 1 2 2 VAL C C 2 175.805 175.805 174.087 1.718 18325
4404 1 10 . 1 1 2 2 VAL CA C 2 62.388 62.388 62.617 -0.229 18325
4405 1 10 . 1 1 2 2 VAL CB C 2 32.777 32.777 31.529 1.248 18325
4406 1 10 . 1 1 3 3 THR N N 3 119.229 119.229 120.345 -1.116 18325
4407 1 10 . 1 1 3 3 THR HA H 3 4.259 4.259 4.608 -0.349 18325
4408 1 10 . 1 1 3 3 THR C C 3 173.761 173.761 173.186 0.575 18325
4409 1 10 . 1 1 3 3 THR CA C 3 61.673 61.673 61.953 -0.280 18325
4410 1 10 . 1 1 3 3 THR CB C 3 69.846 69.846 69.754 0.092 18325
4411 1 10 . 1 1 3 3 THR H H 3 8.256 8.256 8.136 0.120 18325
4412 1 10 . 1 1 4 4 ALA N N 4 126.635 126.635 128.498 -1.863 18325
4413 1 10 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.845 -0.691 18325
4414 1 10 . 1 1 4 4 ALA C C 4 177.002 177.002 176.307 0.695 18325
4415 1 10 . 1 1 4 4 ALA CA C 4 52.159 52.159 50.641 1.518 18325
4416 1 10 . 1 1 4 4 ALA CB C 4 19.512 19.512 21.050 -1.538 18325
4417 1 10 . 1 1 4 4 ALA H H 4 8.367 8.367 8.307 0.060 18325
4418 1 10 . 1 1 5 5 ALA N N 5 123.621 123.621 121.800 1.821 18325
4419 1 10 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.524 -0.257 18325
4420 1 10 . 1 1 5 5 ALA C C 5 176.288 176.288 176.245 0.043 18325
4421 1 10 . 1 1 5 5 ALA CA C 5 52.894 52.894 52.422 0.472 18325
4422 1 10 . 1 1 5 5 ALA CB C 5 19.494 19.494 19.816 -0.322 18325
4423 1 10 . 1 1 5 5 ALA H H 5 8.374 8.374 8.668 -0.294 18325
4424 1 10 . 1 1 6 6 LEU N N 6 115.731 115.731 119.350 -3.619 18325
4425 1 10 . 1 1 6 6 LEU HA H 6 4.648 4.648 4.837 -0.189 18325
4426 1 10 . 1 1 6 6 LEU C C 6 175.007 175.007 174.574 0.433 18325
4427 1 10 . 1 1 6 6 LEU CA C 6 54.263 54.263 54.668 -0.405 18325
4428 1 10 . 1 1 6 6 LEU CB C 6 44.224 44.224 45.016 -0.792 18325
4429 1 10 . 1 1 6 6 LEU H H 6 7.478 7.478 7.612 -0.134 18325
4430 1 10 . 1 1 7 7 THR N N 7 119.383 119.383 123.955 -4.572 18325
4431 1 10 . 1 1 7 7 THR HA H 7 4.906 4.906 5.247 -0.341 18325
4432 1 10 . 1 1 7 7 THR C C 7 172.657 172.657 173.394 -0.737 18325
4433 1 10 . 1 1 7 7 THR CA C 7 61.586 61.586 61.842 -0.256 18325
4434 1 10 . 1 1 7 7 THR CB C 7 70.917 70.917 69.783 1.134 18325
4435 1 10 . 1 1 7 7 THR H H 7 8.342 8.342 8.686 -0.344 18325
4436 1 10 . 1 1 8 8 ILE N N 8 124.711 124.711 126.332 -1.621 18325
4437 1 10 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.493 0.082 18325
4438 1 10 . 1 1 8 8 ILE C C 8 172.650 172.650 174.632 -1.982 18325
4439 1 10 . 1 1 8 8 ILE CA C 8 59.206 59.206 59.843 -0.637 18325
4440 1 10 . 1 1 8 8 ILE CB C 8 40.150 40.150 41.356 -1.206 18325
4441 1 10 . 1 1 8 8 ILE H H 8 9.050 9.050 9.112 -0.062 18325
4442 1 10 . 1 1 9 9 TYR N N 9 128.517 128.517 127.155 1.362 18325
4443 1 10 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.649 0.776 18325
4444 1 10 . 1 1 9 9 TYR C C 9 176.445 176.445 175.047 1.398 18325
4445 1 10 . 1 1 9 9 TYR CA C 9 57.397 57.397 58.434 -1.037 18325
4446 1 10 . 1 1 9 9 TYR CB C 9 39.232 39.232 38.900 0.332 18325
4447 1 10 . 1 1 9 9 TYR H H 9 9.094 9.094 8.402 0.692 18325
4448 1 10 . 1 1 10 10 THR N N 10 112.214 112.214 113.755 -1.541 18325
4449 1 10 . 1 1 10 10 THR HA H 10 4.778 4.778 4.610 0.168 18325
4450 1 10 . 1 1 10 10 THR C C 10 173.410 173.410 173.274 0.136 18325
4451 1 10 . 1 1 10 10 THR CA C 10 59.893 59.893 59.980 -0.087 18325
4452 1 10 . 1 1 10 10 THR CB C 10 72.063 72.063 71.554 0.509 18325
4453 1 10 . 1 1 10 10 THR H H 10 8.824 8.824 8.205 0.619 18325
4454 1 10 . 1 1 11 11 THR N N 11 103.866 103.866 112.146 -8.280 18325
4455 1 10 . 1 1 11 11 THR HA H 11 4.585 4.585 4.312 0.273 18325
4456 1 10 . 1 1 11 11 THR C C 11 176.335 176.335 175.653 0.682 18325
4457 1 10 . 1 1 11 11 THR CA C 11 60.389 60.389 59.945 0.444 18325
4458 1 10 . 1 1 11 11 THR CB C 11 72.584 72.584 71.145 1.439 18325
4459 1 10 . 1 1 11 11 THR H H 11 6.667 6.667 7.780 -1.113 18325
4460 1 10 . 1 1 12 12 SER N N 12 116.991 116.991 115.696 1.295 18325
4461 1 10 . 1 1 12 12 SER HA H 12 4.134 4.134 4.455 -0.321 18325
4462 1 10 . 1 1 12 12 SER C C 12 174.863 174.863 174.376 0.487 18325
4463 1 10 . 1 1 12 12 SER CA C 12 61.183 61.183 60.185 0.998 18325
4464 1 10 . 1 1 12 12 SER CB C 12 62.845 62.845 62.931 -0.086 18325
4465 1 10 . 1 1 12 12 SER H H 12 9.561 9.561 8.456 1.105 18325
4466 1 10 . 1 1 13 13 TRP N N 13 117.675 117.675 120.042 -2.367 18325
4467 1 10 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.806 -0.031 18325
4468 1 10 . 1 1 13 13 TRP C C 13 175.144 175.144 176.101 -0.957 18325
4469 1 10 . 1 1 13 13 TRP CA C 13 54.555 54.555 55.514 -0.959 18325
4470 1 10 . 1 1 13 13 TRP CB C 13 28.292 28.292 28.588 -0.296 18325
4471 1 10 . 1 1 13 13 TRP H H 13 6.996 6.996 7.472 -0.476 18325
4472 1 10 . 1 1 14 14 CYS N N 14 120.513 120.513 120.854 -0.341 18325
4473 1 10 . 1 1 14 14 CYS HA H 14 4.498 4.498 4.793 -0.295 18325
4474 1 10 . 1 1 14 14 CYS CA C 14 53.859 53.859 58.798 -4.939 18325
4475 1 10 . 1 1 14 14 CYS CB C 14 44.419 44.419 27.143 17.276 18325
4476 1 10 . 1 1 14 14 CYS H H 14 6.755 6.755 7.535 -0.780 18325
4477 1 10 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.488 -0.111 18325
4478 1 10 . 1 1 16 16 TYR C C 16 177.495 177.495 176.788 0.707 18325
4479 1 10 . 1 1 16 16 TYR CA C 16 60.662 60.662 57.656 3.006 18325
4480 1 10 . 1 1 16 16 TYR CB C 16 37.852 37.852 36.672 1.179 18325
4481 1 10 . 1 1 17 17 CYS N N 17 114.160 114.160 118.840 -4.680 18325
4482 1 10 . 1 1 17 17 CYS HA H 17 3.923 3.923 3.983 -0.060 18325
4483 1 10 . 1 1 17 17 CYS C C 17 174.680 174.680 176.615 -1.935 18325
4484 1 10 . 1 1 17 17 CYS CA C 17 65.302 65.302 63.091 2.211 18325
4485 1 10 . 1 1 17 17 CYS CB C 17 33.986 33.986 25.938 8.048 18325
4486 1 10 . 1 1 17 17 CYS H H 17 8.495 8.495 7.671 0.824 18325
4487 1 10 . 1 1 18 18 LEU N N 18 119.295 119.295 121.953 -2.658 18325
4488 1 10 . 1 1 18 18 LEU HA H 18 4.031 4.031 3.957 0.074 18325
4489 1 10 . 1 1 18 18 LEU C C 18 179.001 179.001 177.990 1.011 18325
4490 1 10 . 1 1 18 18 LEU CA C 18 58.234 58.234 57.770 0.464 18325
4491 1 10 . 1 1 18 18 LEU CB C 18 41.205 41.205 41.725 -0.520 18325
4492 1 10 . 1 1 18 18 LEU H H 18 7.311 7.311 7.761 -0.450 18325
4493 1 10 . 1 1 19 19 ARG N N 19 119.771 119.771 119.293 0.478 18325
4494 1 10 . 1 1 19 19 ARG HA H 19 3.998 3.998 4.030 -0.032 18325
4495 1 10 . 1 1 19 19 ARG C C 19 178.949 178.949 178.493 0.456 18325
4496 1 10 . 1 1 19 19 ARG CA C 19 59.597 59.597 59.582 0.015 18325
4497 1 10 . 1 1 19 19 ARG CB C 19 30.006 30.006 30.099 -0.093 18325
4498 1 10 . 1 1 19 19 ARG H H 19 7.469 7.469 7.555 -0.086 18325
4499 1 10 . 1 1 20 20 LEU N N 20 120.802 120.802 119.848 0.954 18325
4500 1 10 . 1 1 20 20 LEU HA H 20 4.097 4.097 4.138 -0.041 18325
4501 1 10 . 1 1 20 20 LEU C C 20 177.928 177.928 178.072 -0.144 18325
4502 1 10 . 1 1 20 20 LEU CA C 20 57.757 57.757 57.671 0.086 18325
4503 1 10 . 1 1 20 20 LEU CB C 20 40.940 40.940 41.833 -0.893 18325
4504 1 10 . 1 1 20 20 LEU H H 20 8.150 8.150 7.377 0.773 18325
4505 1 10 . 1 1 21 21 LYS N N 21 117.910 117.910 119.327 -1.417 18325
4506 1 10 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.597 -0.317 18325
4507 1 10 . 1 1 21 21 LYS C C 21 178.851 178.851 179.197 -0.346 18325
4508 1 10 . 1 1 21 21 LYS CA C 21 61.353 61.353 60.482 0.871 18325
4509 1 10 . 1 1 21 21 LYS CB C 21 31.698 31.698 32.066 -0.368 18325
4510 1 10 . 1 1 21 21 LYS H H 21 7.854 7.854 8.193 -0.339 18325
4511 1 10 . 1 1 22 22 THR N N 22 115.451 115.451 113.302 2.149 18325
4512 1 10 . 1 1 22 22 THR HA H 22 3.889 3.889 4.058 -0.169 18325
4513 1 10 . 1 1 22 22 THR C C 22 176.571 176.571 176.240 0.331 18325
4514 1 10 . 1 1 22 22 THR CA C 22 66.849 66.849 66.309 0.540 18325
4515 1 10 . 1 1 22 22 THR CB C 22 68.793 68.793 68.171 0.622 18325
4516 1 10 . 1 1 22 22 THR H H 22 8.125 8.125 8.251 -0.126 18325
4517 1 10 . 1 1 23 23 ALA N N 23 125.218 125.218 124.665 0.553 18325
4518 1 10 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.080 0.194 18325
4519 1 10 . 1 1 23 23 ALA C C 23 180.948 180.948 179.862 1.086 18325
4520 1 10 . 1 1 23 23 ALA CA C 23 55.003 55.003 54.986 0.017 18325
4521 1 10 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.238 0.603 18325
4522 1 10 . 1 1 23 23 ALA H H 23 7.892 7.892 7.553 0.339 18325
4523 1 10 . 1 1 24 24 LEU N N 24 120.007 120.007 117.450 2.557 18325
4524 1 10 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.980 0.038 18325
4525 1 10 . 1 1 24 24 LEU C C 24 179.738 179.738 179.603 0.135 18325
4526 1 10 . 1 1 24 24 LEU CA C 24 58.807 58.807 57.588 1.219 18325
4527 1 10 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.695 -1.881 18325
4528 1 10 . 1 1 24 24 LEU H H 24 8.775 8.775 8.410 0.365 18325
4529 1 10 . 1 1 25 25 THR N N 25 118.777 118.777 115.898 2.879 18325
4530 1 10 . 1 1 25 25 THR HA H 25 4.175 4.175 4.125 0.050 18325
4531 1 10 . 1 1 25 25 THR C C 25 178.539 178.539 177.078 1.461 18325
4532 1 10 . 1 1 25 25 THR CA C 25 67.138 67.138 66.477 0.661 18325
4533 1 10 . 1 1 25 25 THR CB C 25 68.679 68.679 68.885 -0.206 18325
4534 1 10 . 1 1 25 25 THR H H 25 8.636 8.636 8.499 0.137 18325
4535 1 10 . 1 1 26 26 ALA N N 26 126.122 126.122 122.762 3.360 18325
4536 1 10 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.302 -0.114 18325
4537 1 10 . 1 1 26 26 ALA C C 26 178.536 178.536 177.815 0.721 18325
4538 1 10 . 1 1 26 26 ALA CA C 26 55.134 55.134 54.001 1.133 18325
4539 1 10 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.149 -0.263 18325
4540 1 10 . 1 1 26 26 ALA H H 26 8.357 8.357 8.326 0.031 18325
4541 1 10 . 1 1 27 27 ASN N N 27 114.755 114.755 115.510 -0.755 18325
4542 1 10 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.880 -0.182 18325
4543 1 10 . 1 1 27 27 ASN C C 27 172.751 172.751 174.234 -1.483 18325
4544 1 10 . 1 1 27 27 ASN CA C 27 53.712 53.712 52.734 0.978 18325
4545 1 10 . 1 1 27 27 ASN CB C 27 40.648 40.648 39.479 1.169 18325
4546 1 10 . 1 1 27 27 ASN H H 27 7.456 7.456 7.431 0.025 18325
4547 1 10 . 1 1 28 28 ARG N N 28 115.444 115.444 119.248 -3.804 18325
4548 1 10 . 1 1 28 28 ARG HA H 28 3.934 3.934 4.001 -0.067 18325
4549 1 10 . 1 1 28 28 ARG C C 28 175.075 175.075 174.082 0.993 18325
4550 1 10 . 1 1 28 28 ARG CA C 28 57.091 57.091 57.312 -0.221 18325
4551 1 10 . 1 1 28 28 ARG CB C 28 26.393 26.393 27.970 -1.577 18325
4552 1 10 . 1 1 28 28 ARG H H 28 8.183 8.183 7.554 0.629 18325
4553 1 10 . 1 1 29 29 ILE N N 29 120.976 120.976 121.164 -0.188 18325
4554 1 10 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.282 -0.203 18325
4555 1 10 . 1 1 29 29 ILE C C 29 175.050 175.050 174.411 0.639 18325
4556 1 10 . 1 1 29 29 ILE CA C 29 60.664 60.664 60.326 0.338 18325
4557 1 10 . 1 1 29 29 ILE CB C 29 38.695 38.695 39.648 -0.953 18325
4558 1 10 . 1 1 29 29 ILE H H 29 8.004 8.004 8.123 -0.119 18325
4559 1 10 . 1 1 30 30 ALA N N 30 131.099 131.099 131.759 -0.660 18325
4560 1 10 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.408 -0.240 18325
4561 1 10 . 1 1 30 30 ALA C C 30 176.360 176.360 175.778 0.582 18325
4562 1 10 . 1 1 30 30 ALA CA C 30 51.819 51.819 51.492 0.327 18325
4563 1 10 . 1 1 30 30 ALA CB C 30 19.641 19.641 19.656 -0.015 18325
4564 1 10 . 1 1 30 30 ALA H H 30 8.329 8.329 8.517 -0.188 18325
4565 1 10 . 1 1 31 31 TYR N N 31 114.363 114.363 120.436 -6.073 18325
4566 1 10 . 1 1 31 31 TYR HA H 31 5.133 5.133 5.355 -0.222 18325
4567 1 10 . 1 1 31 31 TYR C C 31 173.470 173.470 174.052 -0.582 18325
4568 1 10 . 1 1 31 31 TYR CA C 31 55.522 55.522 54.757 0.765 18325
4569 1 10 . 1 1 31 31 TYR CB C 31 41.184 41.184 40.871 0.313 18325
4570 1 10 . 1 1 31 31 TYR H H 31 7.509 7.509 7.623 -0.114 18325
4571 1 10 . 1 1 32 32 ASP N N 32 120.754 120.754 120.577 0.177 18325
4572 1 10 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.888 0.038 18325
4573 1 10 . 1 1 32 32 ASP C C 32 174.611 174.611 175.142 -0.531 18325
4574 1 10 . 1 1 32 32 ASP CA C 32 52.875 52.875 53.076 -0.201 18325
4575 1 10 . 1 1 32 32 ASP CB C 32 42.843 42.843 43.320 -0.477 18325
4576 1 10 . 1 1 32 32 ASP H H 32 8.517 8.517 9.027 -0.510 18325
4577 1 10 . 1 1 33 33 GLU N N 33 124.650 124.650 120.498 4.152 18325
4578 1 10 . 1 1 33 33 GLU HA H 33 5.205 5.205 5.364 -0.159 18325
4579 1 10 . 1 1 33 33 GLU C C 33 175.049 175.049 176.012 -0.963 18325
4580 1 10 . 1 1 33 33 GLU CA C 33 54.489 54.489 54.873 -0.384 18325
4581 1 10 . 1 1 33 33 GLU CB C 33 32.425 32.425 31.529 0.896 18325
4582 1 10 . 1 1 33 33 GLU H H 33 8.836 8.836 8.513 0.323 18325
4583 1 10 . 1 1 34 34 VAL N N 34 128.112 128.112 120.175 7.937 18325
4584 1 10 . 1 1 34 34 VAL HA H 34 4.062 4.062 4.084 -0.022 18325
4585 1 10 . 1 1 34 34 VAL C C 34 173.620 173.620 176.777 -3.157 18325
4586 1 10 . 1 1 34 34 VAL CA C 34 61.427 61.427 61.209 0.218 18325
4587 1 10 . 1 1 34 34 VAL CB C 34 34.690 34.690 32.824 1.866 18325
4588 1 10 . 1 1 34 34 VAL H H 34 8.615 8.615 7.925 0.690 18325
4589 1 10 . 1 1 35 35 ASP N N 35 127.319 127.319 125.086 2.233 18325
4590 1 10 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.380 0.557 18325
4591 1 10 . 1 1 35 35 ASP C C 35 179.260 179.260 177.715 1.545 18325
4592 1 10 . 1 1 35 35 ASP CA C 35 61.428 61.428 56.263 5.165 18325
4593 1 10 . 1 1 35 35 ASP CB C 35 41.858 41.858 40.866 0.992 18325
4594 1 10 . 1 1 35 35 ASP H H 35 8.458 8.458 8.844 -0.386 18325
4595 1 10 . 1 1 36 36 ILE N N 36 119.537 119.537 115.095 4.442 18325
4596 1 10 . 1 1 36 36 ILE HA H 36 4.360 4.360 3.984 0.376 18325
4597 1 10 . 1 1 36 36 ILE C C 36 176.943 176.943 176.967 -0.024 18325
4598 1 10 . 1 1 36 36 ILE CA C 36 63.681 63.681 63.525 0.156 18325
4599 1 10 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.184 0.453 18325
4600 1 10 . 1 1 36 36 ILE H H 36 8.833 8.833 7.883 0.950 18325
4601 1 10 . 1 1 37 37 GLU N N 37 122.074 122.074 118.712 3.362 18325
4602 1 10 . 1 1 37 37 GLU HA H 37 4.131 4.131 3.765 0.366 18325
4603 1 10 . 1 1 37 37 GLU C C 37 177.224 177.224 177.443 -0.219 18325
4604 1 10 . 1 1 37 37 GLU CA C 37 58.503 58.503 58.589 -0.086 18325
4605 1 10 . 1 1 37 37 GLU CB C 37 29.312 29.312 29.245 0.067 18325
4606 1 10 . 1 1 37 37 GLU H H 37 8.815 8.815 8.421 0.394 18325
4607 1 10 . 1 1 38 38 HIS N N 38 114.611 114.611 116.289 -1.678 18325
4608 1 10 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.743 0.103 18325
4609 1 10 . 1 1 38 38 HIS C C 38 174.168 174.168 174.231 -0.063 18325
4610 1 10 . 1 1 38 38 HIS CA C 38 55.189 55.189 56.678 -1.489 18325
4611 1 10 . 1 1 38 38 HIS CB C 38 30.936 30.936 32.728 -1.792 18325
4612 1 10 . 1 1 38 38 HIS H H 38 7.661 7.661 8.208 -0.547 18325
4613 1 10 . 1 1 39 39 ASN N N 39 117.944 117.944 119.904 -1.960 18325
4614 1 10 . 1 1 39 39 ASN HA H 39 4.900 4.900 4.825 0.075 18325
4615 1 10 . 1 1 39 39 ASN C C 39 173.626 173.626 176.235 -2.609 18325
4616 1 10 . 1 1 39 39 ASN CA C 39 52.634 52.634 52.012 0.622 18325
4617 1 10 . 1 1 39 39 ASN CB C 39 39.436 39.436 38.324 1.112 18325
4618 1 10 . 1 1 39 39 ASN H H 39 7.095 7.095 8.208 -1.113 18325
4619 1 10 . 1 1 40 40 ARG N N 40 126.603 126.603 126.442 0.161 18325
4620 1 10 . 1 1 40 40 ARG HA H 40 4.142 4.142 4.121 0.021 18325
4621 1 10 . 1 1 40 40 ARG C C 40 178.292 178.292 176.952 1.340 18325
4622 1 10 . 1 1 40 40 ARG CA C 40 59.371 59.371 59.140 0.231 18325
4623 1 10 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.886 0.033 18325
4624 1 10 . 1 1 40 40 ARG H H 40 8.750 8.750 7.767 0.983 18325
4625 1 10 . 1 1 41 41 ALA N N 41 122.148 122.148 121.970 0.178 18325
4626 1 10 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.165 0.037 18325
4627 1 10 . 1 1 41 41 ALA C C 41 181.236 181.236 178.855 2.381 18325
4628 1 10 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.504 0.572 18325
4629 1 10 . 1 1 41 41 ALA CB C 41 17.795 17.795 18.165 -0.370 18325
4630 1 10 . 1 1 41 41 ALA H H 41 8.460 8.460 8.442 0.018 18325
4631 1 10 . 1 1 42 42 ALA N N 42 122.394 122.394 118.958 3.436 18325
4632 1 10 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.229 -0.005 18325
4633 1 10 . 1 1 42 42 ALA C C 42 178.949 178.949 178.709 0.240 18325
4634 1 10 . 1 1 42 42 ALA CA C 42 54.423 54.423 53.813 0.610 18325
4635 1 10 . 1 1 42 42 ALA CB C 42 19.786 19.786 18.837 0.949 18325
4636 1 10 . 1 1 42 42 ALA H H 42 7.973 7.973 7.571 0.402 18325
4637 1 10 . 1 1 43 43 ALA N N 43 120.965 120.965 122.330 -1.365 18325
4638 1 10 . 1 1 43 43 ALA HA H 43 3.788 3.788 4.176 -0.388 18325
4639 1 10 . 1 1 43 43 ALA C C 43 179.994 179.994 179.800 0.194 18325
4640 1 10 . 1 1 43 43 ALA CA C 43 56.189 56.189 54.950 1.239 18325
4641 1 10 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.386 -0.353 18325
4642 1 10 . 1 1 43 43 ALA H H 43 8.170 8.170 7.614 0.556 18325
4643 1 10 . 1 1 44 44 GLU N N 44 117.052 117.052 119.430 -2.378 18325
4644 1 10 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.062 -0.109 18325
4645 1 10 . 1 1 44 44 GLU C C 44 179.698 179.698 178.348 1.350 18325
4646 1 10 . 1 1 44 44 GLU CA C 44 58.934 58.934 59.644 -0.710 18325
4647 1 10 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.306 -0.180 18325
4648 1 10 . 1 1 44 44 GLU H H 44 8.240 8.240 8.731 -0.491 18325
4649 1 10 . 1 1 45 45 PHE N N 45 122.282 122.282 120.551 1.731 18325
4650 1 10 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.198 0.034 18325
4651 1 10 . 1 1 45 45 PHE C C 45 177.994 177.994 176.919 1.075 18325
4652 1 10 . 1 1 45 45 PHE CA C 45 61.170 61.170 61.378 -0.208 18325
4653 1 10 . 1 1 45 45 PHE CB C 45 38.225 38.225 38.986 -0.761 18325
4654 1 10 . 1 1 45 45 PHE H H 45 8.068 8.068 7.505 0.563 18325
4655 1 10 . 1 1 46 46 VAL N N 46 120.442 120.442 119.167 1.275 18325
4656 1 10 . 1 1 46 46 VAL HA H 46 2.908 2.908 3.224 -0.316 18325
4657 1 10 . 1 1 46 46 VAL C C 46 178.852 178.852 178.138 0.714 18325
4658 1 10 . 1 1 46 46 VAL CA C 46 67.186 67.186 67.097 0.089 18325
4659 1 10 . 1 1 46 46 VAL CB C 46 31.143 31.143 31.189 -0.045 18325
4660 1 10 . 1 1 46 46 VAL H H 46 8.363 8.363 7.675 0.688 18325
4661 1 10 . 1 1 47 47 GLY N N 47 105.864 105.864 106.237 -0.373 18325
4662 1 10 . 1 1 47 47 GLY C C 47 176.759 176.759 175.948 0.811 18325
4663 1 10 . 1 1 47 47 GLY CA C 47 46.690 46.690 47.096 -0.406 18325
4664 1 10 . 1 1 47 47 GLY H H 47 8.187 8.187 7.746 0.441 18325
4665 1 10 . 1 1 48 48 SER N N 48 118.796 118.796 117.411 1.385 18325
4666 1 10 . 1 1 48 48 SER HA H 48 4.201 4.201 4.214 -0.013 18325
4667 1 10 . 1 1 48 48 SER C C 48 176.571 176.571 176.543 0.028 18325
4668 1 10 . 1 1 48 48 SER CA C 48 61.440 61.440 60.959 0.481 18325
4669 1 10 . 1 1 48 48 SER CB C 48 62.661 62.661 63.274 -0.613 18325
4670 1 10 . 1 1 48 48 SER H H 48 8.045 8.045 8.288 -0.243 18325
4671 1 10 . 1 1 49 49 VAL N N 49 114.967 114.967 118.670 -3.703 18325
4672 1 10 . 1 1 49 49 VAL HA H 49 4.356 4.356 3.628 0.728 18325
4673 1 10 . 1 1 49 49 VAL C C 49 175.807 175.807 176.277 -0.470 18325
4674 1 10 . 1 1 49 49 VAL CA C 49 62.064 62.064 64.024 -1.960 18325
4675 1 10 . 1 1 49 49 VAL CB C 49 31.110 31.110 31.501 -0.391 18325
4676 1 10 . 1 1 49 49 VAL H H 49 7.040 7.040 7.946 -0.906 18325
4677 1 10 . 1 1 50 50 ASN N N 50 119.765 119.765 115.987 3.778 18325
4678 1 10 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.625 0.509 18325
4679 1 10 . 1 1 50 50 ASN C C 50 176.473 176.473 175.830 0.643 18325
4680 1 10 . 1 1 50 50 ASN CA C 50 53.454 53.454 54.244 -0.790 18325
4681 1 10 . 1 1 50 50 ASN CB C 50 40.815 40.815 40.765 0.050 18325
4682 1 10 . 1 1 50 50 ASN H H 50 7.364 7.364 7.526 -0.162 18325
4683 1 10 . 1 1 51 51 GLY N N 51 110.407 110.407 106.667 3.740 18325
4684 1 10 . 1 1 51 51 GLY C C 51 174.967 174.967 174.061 0.906 18325
4685 1 10 . 1 1 51 51 GLY CA C 51 47.543 47.543 45.695 1.848 18325
4686 1 10 . 1 1 51 51 GLY H H 51 8.546 8.546 8.381 0.165 18325
4687 1 10 . 1 1 52 52 GLY N N 52 106.482 106.482 108.889 -2.407 18325
4688 1 10 . 1 1 52 52 GLY C C 52 174.134 174.134 173.538 0.596 18325
4689 1 10 . 1 1 52 52 GLY CA C 52 44.424 44.424 45.624 -1.200 18325
4690 1 10 . 1 1 52 52 GLY H H 52 8.810 8.810 8.216 0.594 18325
4691 1 10 . 1 1 53 53 ASN N N 53 119.129 119.129 118.954 0.175 18325
4692 1 10 . 1 1 53 53 ASN HA H 53 4.738 4.738 4.618 0.120 18325
4693 1 10 . 1 1 53 53 ASN C C 53 174.828 174.828 175.241 -0.413 18325
4694 1 10 . 1 1 53 53 ASN CA C 53 52.654 52.654 52.325 0.329 18325
4695 1 10 . 1 1 53 53 ASN CB C 53 40.237 40.237 38.910 1.327 18325
4696 1 10 . 1 1 53 53 ASN H H 53 7.330 7.330 8.274 -0.944 18325
4697 1 10 . 1 1 54 54 ARG N N 54 125.094 125.094 122.567 2.527 18325
4698 1 10 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.396 -0.262 18325
4699 1 10 . 1 1 54 54 ARG C C 54 174.863 174.863 175.739 -0.876 18325
4700 1 10 . 1 1 54 54 ARG CA C 54 55.132 55.132 55.687 -0.555 18325
4701 1 10 . 1 1 54 54 ARG CB C 54 27.409 27.409 29.567 -2.158 18325
4702 1 10 . 1 1 54 54 ARG H H 54 8.826 8.826 8.551 0.275 18325
4703 1 10 . 1 1 55 55 THR N N 55 117.920 117.920 120.427 -2.507 18325
4704 1 10 . 1 1 55 55 THR HA H 55 4.020 4.020 4.415 -0.395 18325
4705 1 10 . 1 1 55 55 THR C C 55 172.459 172.459 175.379 -2.920 18325
4706 1 10 . 1 1 55 55 THR CA C 55 63.451 63.451 63.103 0.348 18325
4707 1 10 . 1 1 55 55 THR CB C 55 69.158 69.158 69.376 -0.219 18325
4708 1 10 . 1 1 55 55 THR H H 55 6.994 6.994 7.797 -0.803 18325
4709 1 10 . 1 1 56 56 VAL N N 56 117.300 117.300 126.982 -9.682 18325
4710 1 10 . 1 1 56 56 VAL HA H 56 4.735 4.735 4.008 0.727 18325
4711 1 10 . 1 1 56 56 VAL CA C 56 56.872 56.872 66.323 -9.451 18325
4712 1 10 . 1 1 56 56 VAL CB C 56 34.378 34.378 29.928 4.450 18325
4713 1 10 . 1 1 56 56 VAL H H 56 8.172 8.172 8.334 -0.162 18325
4714 1 10 . 1 1 57 57 PRO HA H 57 5.350 5.350 4.799 0.551 18325
4715 1 10 . 1 1 57 57 PRO C C 57 176.879 176.879 175.864 1.015 18325
4716 1 10 . 1 1 57 57 PRO CA C 57 62.246 62.246 62.501 -0.255 18325
4717 1 10 . 1 1 57 57 PRO CB C 57 34.293 34.293 29.399 4.894 18325
4718 1 10 . 1 1 58 58 THR N N 58 120.440 120.440 119.423 1.017 18325
4719 1 10 . 1 1 58 58 THR HA H 58 5.042 5.042 4.847 0.195 18325
4720 1 10 . 1 1 58 58 THR C C 58 172.321 172.321 173.137 -0.816 18325
4721 1 10 . 1 1 58 58 THR CA C 58 63.449 63.449 62.202 1.247 18325
4722 1 10 . 1 1 58 58 THR CB C 58 71.892 71.892 70.773 1.119 18325
4723 1 10 . 1 1 58 58 THR H H 58 7.948 7.948 8.872 -0.924 18325
4724 1 10 . 1 1 59 59 VAL N N 59 126.444 126.444 127.390 -0.946 18325
4725 1 10 . 1 1 59 59 VAL HA H 59 5.095 5.095 4.804 0.291 18325
4726 1 10 . 1 1 59 59 VAL C C 59 173.176 173.176 173.595 -0.419 18325
4727 1 10 . 1 1 59 59 VAL CA C 59 60.133 60.133 59.620 0.513 18325
4728 1 10 . 1 1 59 59 VAL CB C 59 34.117 34.117 34.457 -0.340 18325
4729 1 10 . 1 1 59 59 VAL H H 59 9.428 9.428 8.941 0.487 18325
4730 1 10 . 1 1 60 60 LYS N N 60 126.183 126.183 129.377 -3.194 18325
4731 1 10 . 1 1 60 60 LYS HA H 60 5.379 5.379 5.148 0.231 18325
4732 1 10 . 1 1 60 60 LYS C C 60 175.404 175.404 175.649 -0.245 18325
4733 1 10 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.747 -0.136 18325
4734 1 10 . 1 1 60 60 LYS CB C 60 37.601 37.601 33.974 3.627 18325
4735 1 10 . 1 1 60 60 LYS H H 60 9.214 9.214 9.013 0.201 18325
4736 1 10 . 1 1 61 61 PHE N N 61 126.709 126.709 124.330 2.379 18325
4737 1 10 . 1 1 61 61 PHE HA H 61 4.736 4.736 4.878 -0.142 18325
4738 1 10 . 1 1 61 61 PHE C C 61 178.102 178.102 177.676 0.426 18325
4739 1 10 . 1 1 61 61 PHE CA C 61 58.048 58.048 57.607 0.441 18325
4740 1 10 . 1 1 61 61 PHE CB C 61 41.221 41.221 40.826 0.395 18325
4741 1 10 . 1 1 61 61 PHE H H 61 9.069 9.069 8.668 0.401 18325
4742 1 10 . 1 1 62 62 ALA N N 62 123.358 123.358 123.769 -0.411 18325
4743 1 10 . 1 1 62 62 ALA HA H 62 4.134 4.134 4.129 0.005 18325
4744 1 10 . 1 1 62 62 ALA C C 62 177.754 177.754 177.846 -0.092 18325
4745 1 10 . 1 1 62 62 ALA CA C 62 54.940 54.940 54.394 0.546 18325
4746 1 10 . 1 1 62 62 ALA CB C 62 19.243 19.243 18.235 1.008 18325
4747 1 10 . 1 1 62 62 ALA H H 62 9.728 9.728 9.158 0.570 18325
4748 1 10 . 1 1 63 63 ASP N N 63 113.412 113.412 118.374 -4.962 18325
4749 1 10 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.524 0.062 18325
4750 1 10 . 1 1 63 63 ASP C C 63 177.032 177.032 177.525 -0.493 18325
4751 1 10 . 1 1 63 63 ASP CA C 63 53.141 53.141 54.966 -1.825 18325
4752 1 10 . 1 1 63 63 ASP CB C 63 40.040 40.040 40.681 -0.641 18325
4753 1 10 . 1 1 63 63 ASP H H 63 7.675 7.675 8.264 -0.589 18325
4754 1 10 . 1 1 64 64 GLY N N 64 109.285 109.285 107.259 2.026 18325
4755 1 10 . 1 1 64 64 GLY C C 64 173.680 173.680 174.237 -0.557 18325
4756 1 10 . 1 1 64 64 GLY CA C 64 45.328 45.328 45.355 -0.027 18325
4757 1 10 . 1 1 64 64 GLY H H 64 8.361 8.361 8.031 0.330 18325
4758 1 10 . 1 1 65 65 SER N N 65 117.733 117.733 115.560 2.173 18325
4759 1 10 . 1 1 65 65 SER HA H 65 4.567 4.567 4.901 -0.334 18325
4760 1 10 . 1 1 65 65 SER C C 65 173.595 173.595 173.788 -0.193 18325
4761 1 10 . 1 1 65 65 SER CA C 65 58.964 58.964 57.526 1.438 18325
4762 1 10 . 1 1 65 65 SER CB C 65 64.637 64.637 64.691 -0.054 18325
4763 1 10 . 1 1 65 65 SER H H 65 8.287 8.287 8.078 0.209 18325
4764 1 10 . 1 1 66 66 THR N N 66 106.725 106.725 113.530 -6.805 18325
4765 1 10 . 1 1 66 66 THR HA H 66 6.250 6.250 5.473 0.777 18325
4766 1 10 . 1 1 66 66 THR C C 66 175.730 175.730 173.945 1.785 18325
4767 1 10 . 1 1 66 66 THR CA C 66 59.494 59.494 60.945 -1.451 18325
4768 1 10 . 1 1 66 66 THR CB C 66 73.049 73.049 71.213 1.835 18325
4769 1 10 . 1 1 66 66 THR H H 66 8.221 8.221 8.279 -0.058 18325
4770 1 10 . 1 1 67 67 LEU N N 67 117.517 117.517 126.599 -9.082 18325
4771 1 10 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.748 0.120 18325
4772 1 10 . 1 1 67 67 LEU C C 67 176.030 176.030 175.399 0.631 18325
4773 1 10 . 1 1 67 67 LEU CA C 67 54.768 54.768 53.609 1.159 18325
4774 1 10 . 1 1 67 67 LEU CB C 67 47.406 47.406 44.733 2.673 18325
4775 1 10 . 1 1 67 67 LEU H H 67 8.763 8.763 9.305 -0.542 18325
4776 1 10 . 1 1 68 68 THR N N 68 120.988 120.988 124.853 -3.865 18325
4777 1 10 . 1 1 68 68 THR HA H 68 4.616 4.616 4.332 0.284 18325
4778 1 10 . 1 1 68 68 THR C C 68 173.201 173.201 174.456 -1.255 18325
4779 1 10 . 1 1 68 68 THR CA C 68 62.802 62.802 63.557 -0.755 18325
4780 1 10 . 1 1 68 68 THR CB C 68 69.226 69.226 68.808 0.418 18325
4781 1 10 . 1 1 68 68 THR H H 68 9.226 9.226 8.789 0.437 18325
4782 1 10 . 1 1 69 69 ASN N N 69 122.679 122.679 124.528 -1.849 18325
4783 1 10 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.531 -0.241 18325
4784 1 10 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.583 0.883 18325
4785 1 10 . 1 1 69 69 ASN CB C 69 38.731 38.731 38.345 0.386 18325
4786 1 10 . 1 1 69 69 ASN H H 69 9.097 9.097 8.489 0.608 18325
4787 1 10 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.796 0.073 18325
4788 1 10 . 1 1 70 70 PRO C C 70 177.239 177.239 175.266 1.973 18325
4789 1 10 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.002 1.055 18325
4790 1 10 . 1 1 70 70 PRO CB C 70 32.153 32.153 33.621 -1.468 18325
4791 1 10 . 1 1 71 71 SER N N 71 115.373 115.373 114.721 0.652 18325
4792 1 10 . 1 1 71 71 SER HA H 71 4.620 4.620 4.525 0.095 18325
4793 1 10 . 1 1 71 71 SER C C 71 175.966 175.966 176.048 -0.082 18325
4794 1 10 . 1 1 71 71 SER CA C 71 56.624 56.624 57.942 -1.318 18325
4795 1 10 . 1 1 71 71 SER CB C 71 65.562 65.562 64.633 0.929 18325
4796 1 10 . 1 1 71 71 SER H H 71 8.932 8.932 8.353 0.579 18325
4797 1 10 . 1 1 72 72 ALA N N 72 124.008 124.008 127.247 -3.239 18325
4798 1 10 . 1 1 72 72 ALA HA H 72 3.763 3.763 3.993 -0.230 18325
4799 1 10 . 1 1 72 72 ALA C C 72 179.550 179.550 179.449 0.101 18325
4800 1 10 . 1 1 72 72 ALA CA C 72 55.970 55.970 55.528 0.442 18325
4801 1 10 . 1 1 72 72 ALA CB C 72 17.873 17.873 18.512 -0.640 18325
4802 1 10 . 1 1 72 72 ALA H H 72 9.235 9.235 8.917 0.318 18325
4803 1 10 . 1 1 73 73 ASP N N 73 116.584 116.584 117.582 -0.998 18325
4804 1 10 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.352 -0.022 18325
4805 1 10 . 1 1 73 73 ASP C C 73 179.219 179.219 178.209 1.010 18325
4806 1 10 . 1 1 73 73 ASP CA C 73 57.583 57.583 57.439 0.144 18325
4807 1 10 . 1 1 73 73 ASP CB C 73 40.300 40.300 40.297 0.003 18325
4808 1 10 . 1 1 73 73 ASP H H 73 8.277 8.277 8.732 -0.455 18325
4809 1 10 . 1 1 74 74 GLU N N 74 122.057 122.057 118.758 3.299 18325
4810 1 10 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.118 -0.103 18325
4811 1 10 . 1 1 74 74 GLU C C 74 180.045 180.045 179.163 0.882 18325
4812 1 10 . 1 1 74 74 GLU CA C 74 59.199 59.199 59.301 -0.102 18325
4813 1 10 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.350 0.724 18325
4814 1 10 . 1 1 74 74 GLU H H 74 7.925 7.925 8.446 -0.521 18325
4815 1 10 . 1 1 75 75 VAL N N 75 120.141 120.141 120.465 -0.324 18325
4816 1 10 . 1 1 75 75 VAL HA H 75 3.681 3.681 3.930 -0.249 18325
4817 1 10 . 1 1 75 75 VAL C C 75 177.008 177.008 178.107 -1.099 18325
4818 1 10 . 1 1 75 75 VAL CA C 75 67.172 67.172 66.980 0.192 18325
4819 1 10 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.464 -0.227 18325
4820 1 10 . 1 1 75 75 VAL H H 75 7.885 7.885 8.230 -0.345 18325
4821 1 10 . 1 1 76 76 LYS N N 76 118.715 118.715 120.454 -1.739 18325
4822 1 10 . 1 1 76 76 LYS HA H 76 3.827 3.827 4.051 -0.224 18325
4823 1 10 . 1 1 76 76 LYS C C 76 178.105 178.105 178.478 -0.373 18325
4824 1 10 . 1 1 76 76 LYS CA C 76 60.397 60.397 59.045 1.352 18325
4825 1 10 . 1 1 76 76 LYS CB C 76 32.405 32.405 31.948 0.457 18325
4826 1 10 . 1 1 76 76 LYS H H 76 8.298 8.298 8.271 0.027 18325
4827 1 10 . 1 1 77 77 ALA N N 77 118.993 118.993 121.025 -2.032 18325
4828 1 10 . 1 1 77 77 ALA HA H 77 4.031 4.031 4.136 -0.105 18325
4829 1 10 . 1 1 77 77 ALA C C 77 180.450 180.450 179.872 0.578 18325
4830 1 10 . 1 1 77 77 ALA CA C 77 54.820 54.820 55.159 -0.339 18325
4831 1 10 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.239 -0.039 18325
4832 1 10 . 1 1 77 77 ALA H H 77 7.985 7.985 8.255 -0.270 18325
4833 1 10 . 1 1 78 78 LYS N N 78 119.952 119.952 119.245 0.707 18325
4834 1 10 . 1 1 78 78 LYS HA H 78 3.975 3.975 4.154 -0.179 18325
4835 1 10 . 1 1 78 78 LYS C C 78 177.949 177.949 178.673 -0.724 18325
4836 1 10 . 1 1 78 78 LYS CA C 78 58.079 58.079 57.763 0.316 18325
4837 1 10 . 1 1 78 78 LYS CB C 78 31.342 31.342 32.221 -0.879 18325
4838 1 10 . 1 1 78 78 LYS H H 78 7.480 7.480 7.778 -0.298 18325
4839 1 10 . 1 1 79 79 LEU N N 79 118.729 118.729 121.843 -3.114 18325
4840 1 10 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.190 -0.154 18325
4841 1 10 . 1 1 79 79 LEU C C 79 180.234 180.234 178.313 1.921 18325
4842 1 10 . 1 1 79 79 LEU CA C 79 58.096 58.096 58.501 -0.405 18325
4843 1 10 . 1 1 79 79 LEU CB C 79 41.776 41.776 42.086 -0.309 18325
4844 1 10 . 1 1 79 79 LEU H H 79 8.075 8.075 8.377 -0.302 18325
4845 1 10 . 1 1 80 80 VAL N N 80 118.567 118.567 113.254 5.313 18325
4846 1 10 . 1 1 80 80 VAL HA H 80 3.733 3.733 3.761 -0.028 18325
4847 1 10 . 1 1 80 80 VAL C C 80 178.390 178.390 176.898 1.492 18325
4848 1 10 . 1 1 80 80 VAL CA C 80 65.895 65.895 65.570 0.325 18325
4849 1 10 . 1 1 80 80 VAL CB C 80 31.961 31.961 31.554 0.407 18325
4850 1 10 . 1 1 80 80 VAL H H 80 7.867 7.867 7.997 -0.130 18325
4851 1 10 . 1 1 81 81 LYS N N 81 121.106 121.106 116.474 4.632 18325
4852 1 10 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.151 -0.059 18325
4853 1 10 . 1 1 81 81 LYS C C 81 179.434 179.434 178.160 1.274 18325
4854 1 10 . 1 1 81 81 LYS CA C 81 58.943 58.943 58.170 0.773 18325
4855 1 10 . 1 1 81 81 LYS CB C 81 32.497 32.497 32.980 -0.483 18325
4856 1 10 . 1 1 81 81 LYS H H 81 7.565 7.565 7.371 0.194 18325
4857 1 10 . 1 1 82 82 ILE N N 82 117.365 117.365 115.062 2.303 18325
4858 1 10 . 1 1 82 82 ILE HA H 82 3.953 3.953 4.159 -0.206 18325
4859 1 10 . 1 1 82 82 ILE C C 82 177.482 177.482 177.155 0.327 18325
4860 1 10 . 1 1 82 82 ILE CA C 82 63.598 63.598 62.359 1.239 18325
4861 1 10 . 1 1 82 82 ILE CB C 82 38.372 38.372 37.308 1.064 18325
4862 1 10 . 1 1 82 82 ILE H H 82 8.124 8.124 7.892 0.232 18325
4863 1 10 . 1 1 83 83 ALA N N 83 123.334 123.334 121.361 1.973 18325
4864 1 10 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.382 -0.103 18325
4865 1 10 . 1 1 83 83 ALA C C 83 179.104 179.104 177.686 1.418 18325
4866 1 10 . 1 1 83 83 ALA CA C 83 53.851 53.851 52.127 1.724 18325
4867 1 10 . 1 1 83 83 ALA CB C 83 18.769 18.769 19.651 -0.881 18325
4868 1 10 . 1 1 83 83 ALA H H 83 7.867 7.867 8.011 -0.144 18325
4869 1 10 . 1 1 84 84 GLY N N 84 105.962 105.962 107.578 -1.616 18325
4870 1 10 . 1 1 84 84 GLY C C 84 174.779 174.779 174.682 0.097 18325
4871 1 10 . 1 1 84 84 GLY CA C 84 45.847 45.847 45.825 0.022 18325
4872 1 10 . 1 1 84 84 GLY H H 84 8.019 8.019 7.412 0.607 18325
4873 1 10 . 1 1 85 85 LEU N N 85 120.702 120.702 126.573 -5.871 18325
4874 1 10 . 1 1 85 85 LEU HA H 85 4.275 4.275 4.543 -0.268 18325
4875 1 10 . 1 1 85 85 LEU C C 85 177.609 177.609 176.656 0.953 18325
4876 1 10 . 1 1 85 85 LEU CA C 85 55.511 55.511 54.363 1.148 18325
4877 1 10 . 1 1 85 85 LEU CB C 85 42.449 42.449 42.734 -0.285 18325
4878 1 10 . 1 1 85 85 LEU H H 85 7.727 7.727 8.461 -0.734 18325
4879 1 10 . 1 1 86 86 GLU N N 86 120.386 120.386 120.390 -0.004 18325
4880 1 10 . 1 1 86 86 GLU HA H 86 4.154 4.154 4.292 -0.138 18325
4881 1 10 . 1 1 86 86 GLU C C 86 176.359 176.359 175.620 0.739 18325
4882 1 10 . 1 1 86 86 GLU CA C 86 56.941 56.941 57.300 -0.359 18325
4883 1 10 . 1 1 86 86 GLU CB C 86 30.180 30.180 28.257 1.923 18325
4884 1 10 . 1 1 86 86 GLU H H 86 8.238 8.238 7.910 0.328 18325
4885 1 10 . 1 1 87 87 HIS N N 87 119.393 119.393 122.437 -3.044 18325
4886 1 10 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.691 -0.101 18325
4887 1 10 . 1 1 87 87 HIS C C 87 174.000 174.000 173.760 0.240 18325
4888 1 10 . 1 1 87 87 HIS CA C 87 56.146 56.146 55.677 0.469 18325
4889 1 10 . 1 1 87 87 HIS CB C 87 30.335 30.335 31.252 -0.917 18325
4890 1 10 . 1 1 87 87 HIS H H 87 8.177 8.177 7.973 0.204 18325
4891 1 11 . 1 1 2 2 VAL HA H 2 4.195 4.195 4.289 -0.094 18325
4892 1 11 . 1 1 2 2 VAL C C 2 175.805 175.805 176.741 -0.936 18325
4893 1 11 . 1 1 2 2 VAL CA C 2 62.388 62.388 64.339 -1.951 18325
4894 1 11 . 1 1 2 2 VAL CB C 2 32.777 32.777 33.819 -1.042 18325
4895 1 11 . 1 1 3 3 THR N N 3 119.229 119.229 110.898 8.331 18325
4896 1 11 . 1 1 3 3 THR HA H 3 4.259 4.259 4.481 -0.222 18325
4897 1 11 . 1 1 3 3 THR C C 3 173.761 173.761 174.524 -0.763 18325
4898 1 11 . 1 1 3 3 THR CA C 3 61.673 61.673 62.459 -0.786 18325
4899 1 11 . 1 1 3 3 THR CB C 3 69.846 69.846 71.506 -1.660 18325
4900 1 11 . 1 1 3 3 THR H H 3 8.256 8.256 8.331 -0.075 18325
4901 1 11 . 1 1 4 4 ALA N N 4 126.635 126.635 125.355 1.280 18325
4902 1 11 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.587 -0.433 18325
4903 1 11 . 1 1 4 4 ALA C C 4 177.002 177.002 176.289 0.713 18325
4904 1 11 . 1 1 4 4 ALA CA C 4 52.159 52.159 51.159 1.000 18325
4905 1 11 . 1 1 4 4 ALA CB C 4 19.512 19.512 20.571 -1.059 18325
4906 1 11 . 1 1 4 4 ALA H H 4 8.367 8.367 8.165 0.202 18325
4907 1 11 . 1 1 5 5 ALA N N 5 123.621 123.621 122.168 1.453 18325
4908 1 11 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.374 -0.107 18325
4909 1 11 . 1 1 5 5 ALA C C 5 176.288 176.288 176.396 -0.108 18325
4910 1 11 . 1 1 5 5 ALA CA C 5 52.894 52.894 52.639 0.255 18325
4911 1 11 . 1 1 5 5 ALA CB C 5 19.494 19.494 19.247 0.247 18325
4912 1 11 . 1 1 5 5 ALA H H 5 8.374 8.374 8.672 -0.298 18325
4913 1 11 . 1 1 6 6 LEU N N 6 115.731 115.731 118.319 -2.588 18325
4914 1 11 . 1 1 6 6 LEU HA H 6 4.648 4.648 4.778 -0.130 18325
4915 1 11 . 1 1 6 6 LEU C C 6 175.007 175.007 174.634 0.373 18325
4916 1 11 . 1 1 6 6 LEU CA C 6 54.263 54.263 54.109 0.154 18325
4917 1 11 . 1 1 6 6 LEU CB C 6 44.224 44.224 45.925 -1.701 18325
4918 1 11 . 1 1 6 6 LEU H H 6 7.478 7.478 7.528 -0.050 18325
4919 1 11 . 1 1 7 7 THR N N 7 119.383 119.383 122.538 -3.155 18325
4920 1 11 . 1 1 7 7 THR HA H 7 4.906 4.906 5.017 -0.111 18325
4921 1 11 . 1 1 7 7 THR C C 7 172.657 172.657 173.068 -0.411 18325
4922 1 11 . 1 1 7 7 THR CA C 7 61.586 61.586 62.093 -0.507 18325
4923 1 11 . 1 1 7 7 THR CB C 7 70.917 70.917 70.732 0.185 18325
4924 1 11 . 1 1 7 7 THR H H 7 8.342 8.342 8.421 -0.079 18325
4925 1 11 . 1 1 8 8 ILE N N 8 124.711 124.711 124.547 0.164 18325
4926 1 11 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.601 -0.026 18325
4927 1 11 . 1 1 8 8 ILE C C 8 172.650 172.650 174.091 -1.441 18325
4928 1 11 . 1 1 8 8 ILE CA C 8 59.206 59.206 60.397 -1.191 18325
4929 1 11 . 1 1 8 8 ILE CB C 8 40.150 40.150 41.809 -1.659 18325
4930 1 11 . 1 1 8 8 ILE H H 8 9.050 9.050 8.984 0.066 18325
4931 1 11 . 1 1 9 9 TYR N N 9 128.517 128.517 127.866 0.651 18325
4932 1 11 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.577 0.848 18325
4933 1 11 . 1 1 9 9 TYR C C 9 176.445 176.445 174.767 1.678 18325
4934 1 11 . 1 1 9 9 TYR CA C 9 57.397 57.397 58.081 -0.684 18325
4935 1 11 . 1 1 9 9 TYR CB C 9 39.232 39.232 37.435 1.796 18325
4936 1 11 . 1 1 9 9 TYR H H 9 9.094 9.094 8.972 0.122 18325
4937 1 11 . 1 1 10 10 THR N N 10 112.214 112.214 113.157 -0.943 18325
4938 1 11 . 1 1 10 10 THR HA H 10 4.778 4.778 4.720 0.058 18325
4939 1 11 . 1 1 10 10 THR C C 10 173.410 173.410 173.496 -0.086 18325
4940 1 11 . 1 1 10 10 THR CA C 10 59.893 59.893 59.655 0.238 18325
4941 1 11 . 1 1 10 10 THR CB C 10 72.063 72.063 71.853 0.210 18325
4942 1 11 . 1 1 10 10 THR H H 10 8.824 8.824 7.592 1.232 18325
4943 1 11 . 1 1 11 11 THR N N 11 103.866 103.866 110.339 -6.473 18325
4944 1 11 . 1 1 11 11 THR HA H 11 4.585 4.585 4.354 0.231 18325
4945 1 11 . 1 1 11 11 THR C C 11 176.335 176.335 174.535 1.800 18325
4946 1 11 . 1 1 11 11 THR CA C 11 60.389 60.389 59.295 1.093 18325
4947 1 11 . 1 1 11 11 THR CB C 11 72.584 72.584 70.643 1.941 18325
4948 1 11 . 1 1 11 11 THR H H 11 6.667 6.667 8.124 -1.457 18325
4949 1 11 . 1 1 12 12 SER N N 12 116.991 116.991 116.119 0.872 18325
4950 1 11 . 1 1 12 12 SER HA H 12 4.134 4.134 4.416 -0.282 18325
4951 1 11 . 1 1 12 12 SER C C 12 174.863 174.863 175.075 -0.212 18325
4952 1 11 . 1 1 12 12 SER CA C 12 61.183 61.183 60.206 0.976 18325
4953 1 11 . 1 1 12 12 SER CB C 12 62.845 62.845 63.594 -0.749 18325
4954 1 11 . 1 1 12 12 SER H H 12 9.561 9.561 8.892 0.669 18325
4955 1 11 . 1 1 13 13 TRP N N 13 117.675 117.675 121.503 -3.828 18325
4956 1 11 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.839 -0.064 18325
4957 1 11 . 1 1 13 13 TRP C C 13 175.144 175.144 175.277 -0.133 18325
4958 1 11 . 1 1 13 13 TRP CA C 13 54.555 54.555 54.393 0.162 18325
4959 1 11 . 1 1 13 13 TRP CB C 13 28.292 28.292 26.784 1.508 18325
4960 1 11 . 1 1 13 13 TRP H H 13 6.996 6.996 7.265 -0.269 18325
4961 1 11 . 1 1 14 14 CYS N N 14 120.513 120.513 118.736 1.777 18325
4962 1 11 . 1 1 14 14 CYS HA H 14 4.498 4.498 4.752 -0.254 18325
4963 1 11 . 1 1 14 14 CYS CA C 14 53.859 53.859 58.973 -5.114 18325
4964 1 11 . 1 1 14 14 CYS CB C 14 44.419 44.419 29.867 14.552 18325
4965 1 11 . 1 1 14 14 CYS H H 14 6.755 6.755 7.989 -1.234 18325
4966 1 11 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.456 -0.079 18325
4967 1 11 . 1 1 16 16 TYR C C 16 177.495 177.495 177.498 -0.003 18325
4968 1 11 . 1 1 16 16 TYR CA C 16 60.662 60.662 59.687 0.975 18325
4969 1 11 . 1 1 16 16 TYR CB C 16 37.852 37.852 38.628 -0.776 18325
4970 1 11 . 1 1 17 17 CYS N N 17 114.160 114.160 119.374 -5.214 18325
4971 1 11 . 1 1 17 17 CYS HA H 17 3.923 3.923 4.024 -0.101 18325
4972 1 11 . 1 1 17 17 CYS C C 17 174.680 174.680 176.372 -1.692 18325
4973 1 11 . 1 1 17 17 CYS CA C 17 65.302 65.302 62.623 2.679 18325
4974 1 11 . 1 1 17 17 CYS CB C 17 33.986 33.986 25.541 8.445 18325
4975 1 11 . 1 1 17 17 CYS H H 17 8.495 8.495 8.123 0.372 18325
4976 1 11 . 1 1 18 18 LEU N N 18 119.295 119.295 121.596 -2.301 18325
4977 1 11 . 1 1 18 18 LEU HA H 18 4.031 4.031 3.943 0.088 18325
4978 1 11 . 1 1 18 18 LEU C C 18 179.001 179.001 178.039 0.962 18325
4979 1 11 . 1 1 18 18 LEU CA C 18 58.234 58.234 57.930 0.304 18325
4980 1 11 . 1 1 18 18 LEU CB C 18 41.205 41.205 41.545 -0.341 18325
4981 1 11 . 1 1 18 18 LEU H H 18 7.311 7.311 7.729 -0.418 18325
4982 1 11 . 1 1 19 19 ARG N N 19 119.771 119.771 118.357 1.414 18325
4983 1 11 . 1 1 19 19 ARG HA H 19 3.998 3.998 3.926 0.072 18325
4984 1 11 . 1 1 19 19 ARG C C 19 178.949 178.949 178.563 0.386 18325
4985 1 11 . 1 1 19 19 ARG CA C 19 59.597 59.597 58.708 0.889 18325
4986 1 11 . 1 1 19 19 ARG CB C 19 30.006 30.006 29.166 0.840 18325
4987 1 11 . 1 1 19 19 ARG H H 19 7.469 7.469 7.773 -0.304 18325
4988 1 11 . 1 1 20 20 LEU N N 20 120.802 120.802 120.324 0.478 18325
4989 1 11 . 1 1 20 20 LEU HA H 20 4.097 4.097 4.203 -0.106 18325
4990 1 11 . 1 1 20 20 LEU C C 20 177.928 177.928 178.044 -0.116 18325
4991 1 11 . 1 1 20 20 LEU CA C 20 57.757 57.757 57.099 0.658 18325
4992 1 11 . 1 1 20 20 LEU CB C 20 40.940 40.940 42.020 -1.080 18325
4993 1 11 . 1 1 20 20 LEU H H 20 8.150 8.150 7.404 0.746 18325
4994 1 11 . 1 1 21 21 LYS N N 21 117.910 117.910 119.831 -1.921 18325
4995 1 11 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.709 -0.429 18325
4996 1 11 . 1 1 21 21 LYS C C 21 178.851 178.851 179.150 -0.299 18325
4997 1 11 . 1 1 21 21 LYS CA C 21 61.353 61.353 60.614 0.739 18325
4998 1 11 . 1 1 21 21 LYS CB C 21 31.698 31.698 32.304 -0.606 18325
4999 1 11 . 1 1 21 21 LYS H H 21 7.854 7.854 8.428 -0.574 18325
5000 1 11 . 1 1 22 22 THR N N 22 115.451 115.451 111.595 3.856 18325
5001 1 11 . 1 1 22 22 THR HA H 22 3.889 3.889 4.058 -0.169 18325
5002 1 11 . 1 1 22 22 THR C C 22 176.571 176.571 176.236 0.335 18325
5003 1 11 . 1 1 22 22 THR CA C 22 66.849 66.849 66.094 0.755 18325
5004 1 11 . 1 1 22 22 THR CB C 22 68.793 68.793 68.587 0.206 18325
5005 1 11 . 1 1 22 22 THR H H 22 8.125 8.125 8.207 -0.082 18325
5006 1 11 . 1 1 23 23 ALA N N 23 125.218 125.218 124.783 0.435 18325
5007 1 11 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.064 0.210 18325
5008 1 11 . 1 1 23 23 ALA C C 23 180.948 180.948 179.799 1.149 18325
5009 1 11 . 1 1 23 23 ALA CA C 23 55.003 55.003 54.897 0.106 18325
5010 1 11 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.205 0.637 18325
5011 1 11 . 1 1 23 23 ALA H H 23 7.892 7.892 7.504 0.388 18325
5012 1 11 . 1 1 24 24 LEU N N 24 120.007 120.007 117.864 2.143 18325
5013 1 11 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.974 0.044 18325
5014 1 11 . 1 1 24 24 LEU C C 24 179.738 179.738 179.338 0.400 18325
5015 1 11 . 1 1 24 24 LEU CA C 24 58.807 58.807 57.790 1.017 18325
5016 1 11 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.645 -1.831 18325
5017 1 11 . 1 1 24 24 LEU H H 24 8.775 8.775 8.445 0.330 18325
5018 1 11 . 1 1 25 25 THR N N 25 118.777 118.777 115.813 2.964 18325
5019 1 11 . 1 1 25 25 THR HA H 25 4.175 4.175 4.108 0.067 18325
5020 1 11 . 1 1 25 25 THR C C 25 178.539 178.539 176.577 1.962 18325
5021 1 11 . 1 1 25 25 THR CA C 25 67.138 67.138 66.406 0.732 18325
5022 1 11 . 1 1 25 25 THR CB C 25 68.679 68.679 68.621 0.058 18325
5023 1 11 . 1 1 25 25 THR H H 25 8.636 8.636 8.203 0.433 18325
5024 1 11 . 1 1 26 26 ALA N N 26 126.122 126.122 122.697 3.425 18325
5025 1 11 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.182 0.006 18325
5026 1 11 . 1 1 26 26 ALA C C 26 178.536 178.536 178.333 0.203 18325
5027 1 11 . 1 1 26 26 ALA CA C 26 55.134 55.134 54.297 0.837 18325
5028 1 11 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.462 -0.575 18325
5029 1 11 . 1 1 26 26 ALA H H 26 8.357 8.357 8.226 0.131 18325
5030 1 11 . 1 1 27 27 ASN N N 27 114.755 114.755 114.406 0.349 18325
5031 1 11 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.682 0.015 18325
5032 1 11 . 1 1 27 27 ASN C C 27 172.751 172.751 174.640 -1.889 18325
5033 1 11 . 1 1 27 27 ASN CA C 27 53.712 53.712 53.187 0.525 18325
5034 1 11 . 1 1 27 27 ASN CB C 27 40.648 40.648 39.138 1.510 18325
5035 1 11 . 1 1 27 27 ASN H H 27 7.456 7.456 7.630 -0.174 18325
5036 1 11 . 1 1 28 28 ARG N N 28 115.444 115.444 114.342 1.102 18325
5037 1 11 . 1 1 28 28 ARG HA H 28 3.934 3.934 3.978 -0.044 18325
5038 1 11 . 1 1 28 28 ARG C C 28 175.075 175.075 175.153 -0.078 18325
5039 1 11 . 1 1 28 28 ARG CA C 28 57.091 57.091 56.699 0.392 18325
5040 1 11 . 1 1 28 28 ARG CB C 28 26.393 26.393 26.727 -0.334 18325
5041 1 11 . 1 1 28 28 ARG H H 28 8.183 8.183 7.642 0.541 18325
5042 1 11 . 1 1 29 29 ILE N N 29 120.976 120.976 120.361 0.615 18325
5043 1 11 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.165 -0.086 18325
5044 1 11 . 1 1 29 29 ILE C C 29 175.050 175.050 174.901 0.149 18325
5045 1 11 . 1 1 29 29 ILE CA C 29 60.664 60.664 61.133 -0.469 18325
5046 1 11 . 1 1 29 29 ILE CB C 29 38.695 38.695 38.548 0.147 18325
5047 1 11 . 1 1 29 29 ILE H H 29 8.004 8.004 8.255 -0.251 18325
5048 1 11 . 1 1 30 30 ALA N N 30 131.099 131.099 130.759 0.340 18325
5049 1 11 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.481 -0.313 18325
5050 1 11 . 1 1 30 30 ALA C C 30 176.360 176.360 176.049 0.311 18325
5051 1 11 . 1 1 30 30 ALA CA C 30 51.819 51.819 51.164 0.655 18325
5052 1 11 . 1 1 30 30 ALA CB C 30 19.641 19.641 21.106 -1.465 18325
5053 1 11 . 1 1 30 30 ALA H H 30 8.329 8.329 8.410 -0.081 18325
5054 1 11 . 1 1 31 31 TYR N N 31 114.363 114.363 116.132 -1.769 18325
5055 1 11 . 1 1 31 31 TYR HA H 31 5.133 5.133 4.954 0.179 18325
5056 1 11 . 1 1 31 31 TYR C C 31 173.470 173.470 174.253 -0.783 18325
5057 1 11 . 1 1 31 31 TYR CA C 31 55.522 55.522 55.401 0.121 18325
5058 1 11 . 1 1 31 31 TYR CB C 31 41.184 41.184 40.560 0.624 18325
5059 1 11 . 1 1 31 31 TYR H H 31 7.509 7.509 7.587 -0.078 18325
5060 1 11 . 1 1 32 32 ASP N N 32 120.754 120.754 123.976 -3.222 18325
5061 1 11 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.784 0.142 18325
5062 1 11 . 1 1 32 32 ASP C C 32 174.611 174.611 175.359 -0.748 18325
5063 1 11 . 1 1 32 32 ASP CA C 32 52.875 52.875 54.201 -1.326 18325
5064 1 11 . 1 1 32 32 ASP CB C 32 42.843 42.843 41.951 0.892 18325
5065 1 11 . 1 1 32 32 ASP H H 32 8.517 8.517 8.840 -0.323 18325
5066 1 11 . 1 1 33 33 GLU N N 33 124.650 124.650 125.401 -0.751 18325
5067 1 11 . 1 1 33 33 GLU HA H 33 5.205 5.205 4.937 0.268 18325
5068 1 11 . 1 1 33 33 GLU C C 33 175.049 175.049 176.299 -1.250 18325
5069 1 11 . 1 1 33 33 GLU CA C 33 54.489 54.489 55.811 -1.322 18325
5070 1 11 . 1 1 33 33 GLU CB C 33 32.425 32.425 30.628 1.797 18325
5071 1 11 . 1 1 33 33 GLU H H 33 8.836 8.836 8.458 0.378 18325
5072 1 11 . 1 1 34 34 VAL N N 34 128.112 128.112 126.317 1.795 18325
5073 1 11 . 1 1 34 34 VAL HA H 34 4.062 4.062 3.917 0.145 18325
5074 1 11 . 1 1 34 34 VAL C C 34 173.620 173.620 176.724 -3.104 18325
5075 1 11 . 1 1 34 34 VAL CA C 34 61.427 61.427 62.722 -1.295 18325
5076 1 11 . 1 1 34 34 VAL CB C 34 34.690 34.690 32.489 2.201 18325
5077 1 11 . 1 1 34 34 VAL H H 34 8.615 8.615 7.875 0.740 18325
5078 1 11 . 1 1 35 35 ASP N N 35 127.319 127.319 123.081 4.238 18325
5079 1 11 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.385 0.552 18325
5080 1 11 . 1 1 35 35 ASP C C 35 179.260 179.260 178.213 1.047 18325
5081 1 11 . 1 1 35 35 ASP CA C 35 61.428 61.428 57.053 4.375 18325
5082 1 11 . 1 1 35 35 ASP CB C 35 41.858 41.858 40.462 1.396 18325
5083 1 11 . 1 1 35 35 ASP H H 35 8.458 8.458 8.755 -0.297 18325
5084 1 11 . 1 1 36 36 ILE N N 36 119.537 119.537 115.881 3.656 18325
5085 1 11 . 1 1 36 36 ILE HA H 36 4.360 4.360 4.019 0.341 18325
5086 1 11 . 1 1 36 36 ILE C C 36 176.943 176.943 176.744 0.199 18325
5087 1 11 . 1 1 36 36 ILE CA C 36 63.681 63.681 63.783 -0.103 18325
5088 1 11 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.191 0.447 18325
5089 1 11 . 1 1 36 36 ILE H H 36 8.833 8.833 7.944 0.889 18325
5090 1 11 . 1 1 37 37 GLU N N 37 122.074 122.074 117.971 4.103 18325
5091 1 11 . 1 1 37 37 GLU HA H 37 4.131 4.131 3.657 0.474 18325
5092 1 11 . 1 1 37 37 GLU C C 37 177.224 177.224 177.645 -0.421 18325
5093 1 11 . 1 1 37 37 GLU CA C 37 58.503 58.503 58.307 0.196 18325
5094 1 11 . 1 1 37 37 GLU CB C 37 29.312 29.312 28.907 0.405 18325
5095 1 11 . 1 1 37 37 GLU H H 37 8.815 8.815 8.200 0.615 18325
5096 1 11 . 1 1 38 38 HIS N N 38 114.611 114.611 118.679 -4.068 18325
5097 1 11 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.721 0.125 18325
5098 1 11 . 1 1 38 38 HIS C C 38 174.168 174.168 174.841 -0.673 18325
5099 1 11 . 1 1 38 38 HIS CA C 38 55.189 55.189 56.773 -1.584 18325
5100 1 11 . 1 1 38 38 HIS CB C 38 30.936 30.936 31.754 -0.818 18325
5101 1 11 . 1 1 38 38 HIS H H 38 7.661 7.661 8.158 -0.497 18325
5102 1 11 . 1 1 39 39 ASN N N 39 117.944 117.944 119.150 -1.206 18325
5103 1 11 . 1 1 39 39 ASN HA H 39 4.900 4.900 4.815 0.085 18325
5104 1 11 . 1 1 39 39 ASN C C 39 173.626 173.626 176.275 -2.649 18325
5105 1 11 . 1 1 39 39 ASN CA C 39 52.634 52.634 52.238 0.396 18325
5106 1 11 . 1 1 39 39 ASN CB C 39 39.436 39.436 38.470 0.966 18325
5107 1 11 . 1 1 39 39 ASN H H 39 7.095 7.095 8.258 -1.163 18325
5108 1 11 . 1 1 40 40 ARG N N 40 126.603 126.603 126.817 -0.214 18325
5109 1 11 . 1 1 40 40 ARG HA H 40 4.142 4.142 4.231 -0.089 18325
5110 1 11 . 1 1 40 40 ARG C C 40 178.292 178.292 177.128 1.164 18325
5111 1 11 . 1 1 40 40 ARG CA C 40 59.371 59.371 58.785 0.586 18325
5112 1 11 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.724 0.195 18325
5113 1 11 . 1 1 40 40 ARG H H 40 8.750 8.750 8.224 0.526 18325
5114 1 11 . 1 1 41 41 ALA N N 41 122.148 122.148 122.393 -0.245 18325
5115 1 11 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.183 0.019 18325
5116 1 11 . 1 1 41 41 ALA C C 41 181.236 181.236 179.048 2.188 18325
5117 1 11 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.722 0.354 18325
5118 1 11 . 1 1 41 41 ALA CB C 41 17.795 17.795 18.086 -0.291 18325
5119 1 11 . 1 1 41 41 ALA H H 41 8.460 8.460 7.908 0.552 18325
5120 1 11 . 1 1 42 42 ALA N N 42 122.394 122.394 119.107 3.287 18325
5121 1 11 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.260 -0.036 18325
5122 1 11 . 1 1 42 42 ALA C C 42 178.949 178.949 178.881 0.068 18325
5123 1 11 . 1 1 42 42 ALA CA C 42 54.423 54.423 53.707 0.716 18325
5124 1 11 . 1 1 42 42 ALA CB C 42 19.786 19.786 18.830 0.956 18325
5125 1 11 . 1 1 42 42 ALA H H 42 7.973 7.973 7.918 0.055 18325
5126 1 11 . 1 1 43 43 ALA N N 43 120.965 120.965 122.046 -1.081 18325
5127 1 11 . 1 1 43 43 ALA HA H 43 3.788 3.788 4.183 -0.395 18325
5128 1 11 . 1 1 43 43 ALA C C 43 179.994 179.994 180.311 -0.317 18325
5129 1 11 . 1 1 43 43 ALA CA C 43 56.189 56.189 55.018 1.171 18325
5130 1 11 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.258 -0.225 18325
5131 1 11 . 1 1 43 43 ALA H H 43 8.170 8.170 7.650 0.520 18325
5132 1 11 . 1 1 44 44 GLU N N 44 117.052 117.052 118.945 -1.893 18325
5133 1 11 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.147 -0.194 18325
5134 1 11 . 1 1 44 44 GLU C C 44 179.698 179.698 178.458 1.240 18325
5135 1 11 . 1 1 44 44 GLU CA C 44 58.934 58.934 58.587 0.347 18325
5136 1 11 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.244 -0.118 18325
5137 1 11 . 1 1 44 44 GLU H H 44 8.240 8.240 8.218 0.022 18325
5138 1 11 . 1 1 45 45 PHE N N 45 122.282 122.282 121.385 0.897 18325
5139 1 11 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.316 -0.084 18325
5140 1 11 . 1 1 45 45 PHE C C 45 177.994 177.994 176.922 1.072 18325
5141 1 11 . 1 1 45 45 PHE CA C 45 61.170 61.170 60.380 0.789 18325
5142 1 11 . 1 1 45 45 PHE CB C 45 38.225 38.225 39.203 -0.978 18325
5143 1 11 . 1 1 45 45 PHE H H 45 8.068 8.068 7.619 0.449 18325
5144 1 11 . 1 1 46 46 VAL N N 46 120.442 120.442 117.164 3.278 18325
5145 1 11 . 1 1 46 46 VAL HA H 46 2.908 2.908 3.379 -0.471 18325
5146 1 11 . 1 1 46 46 VAL C C 46 178.852 178.852 178.562 0.290 18325
5147 1 11 . 1 1 46 46 VAL CA C 46 67.186 67.186 65.945 1.241 18325
5148 1 11 . 1 1 46 46 VAL CB C 46 31.143 31.143 30.659 0.484 18325
5149 1 11 . 1 1 46 46 VAL H H 46 8.363 8.363 7.566 0.797 18325
5150 1 11 . 1 1 47 47 GLY N N 47 105.864 105.864 107.232 -1.368 18325
5151 1 11 . 1 1 47 47 GLY C C 47 176.759 176.759 175.975 0.784 18325
5152 1 11 . 1 1 47 47 GLY CA C 47 46.690 46.690 46.886 -0.196 18325
5153 1 11 . 1 1 47 47 GLY H H 47 8.187 8.187 7.321 0.866 18325
5154 1 11 . 1 1 48 48 SER N N 48 118.796 118.796 118.252 0.544 18325
5155 1 11 . 1 1 48 48 SER HA H 48 4.201 4.201 4.125 0.076 18325
5156 1 11 . 1 1 48 48 SER C C 48 176.571 176.571 176.492 0.079 18325
5157 1 11 . 1 1 48 48 SER CA C 48 61.440 61.440 61.659 -0.219 18325
5158 1 11 . 1 1 48 48 SER CB C 48 62.661 62.661 63.080 -0.419 18325
5159 1 11 . 1 1 48 48 SER H H 48 8.045 8.045 7.660 0.385 18325
5160 1 11 . 1 1 49 49 VAL N N 49 114.967 114.967 114.340 0.627 18325
5161 1 11 . 1 1 49 49 VAL HA H 49 4.356 4.356 3.752 0.604 18325
5162 1 11 . 1 1 49 49 VAL C C 49 175.807 175.807 175.570 0.237 18325
5163 1 11 . 1 1 49 49 VAL CA C 49 62.064 62.064 63.273 -1.209 18325
5164 1 11 . 1 1 49 49 VAL CB C 49 31.110 31.110 31.080 0.030 18325
5165 1 11 . 1 1 49 49 VAL H H 49 7.040 7.040 7.338 -0.298 18325
5166 1 11 . 1 1 50 50 ASN N N 50 119.765 119.765 116.607 3.158 18325
5167 1 11 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.670 0.464 18325
5168 1 11 . 1 1 50 50 ASN C C 50 176.473 176.473 175.724 0.749 18325
5169 1 11 . 1 1 50 50 ASN CA C 50 53.454 53.454 54.481 -1.028 18325
5170 1 11 . 1 1 50 50 ASN CB C 50 40.815 40.815 41.533 -0.718 18325
5171 1 11 . 1 1 50 50 ASN H H 50 7.364 7.364 7.563 -0.199 18325
5172 1 11 . 1 1 51 51 GLY N N 51 110.407 110.407 107.723 2.684 18325
5173 1 11 . 1 1 51 51 GLY C C 51 174.967 174.967 173.886 1.081 18325
5174 1 11 . 1 1 51 51 GLY CA C 51 47.543 47.543 44.975 2.568 18325
5175 1 11 . 1 1 51 51 GLY H H 51 8.546 8.546 8.617 -0.071 18325
5176 1 11 . 1 1 52 52 GLY N N 52 106.482 106.482 110.329 -3.847 18325
5177 1 11 . 1 1 52 52 GLY C C 52 174.134 174.134 174.468 -0.334 18325
5178 1 11 . 1 1 52 52 GLY CA C 52 44.424 44.424 44.713 -0.289 18325
5179 1 11 . 1 1 52 52 GLY H H 52 8.810 8.810 8.461 0.349 18325
5180 1 11 . 1 1 53 53 ASN N N 53 119.129 119.129 117.994 1.135 18325
5181 1 11 . 1 1 53 53 ASN HA H 53 4.738 4.738 4.878 -0.140 18325
5182 1 11 . 1 1 53 53 ASN C C 53 174.828 174.828 174.364 0.464 18325
5183 1 11 . 1 1 53 53 ASN CA C 53 52.654 52.654 52.083 0.571 18325
5184 1 11 . 1 1 53 53 ASN CB C 53 40.237 40.237 40.787 -0.550 18325
5185 1 11 . 1 1 53 53 ASN H H 53 7.330 7.330 8.048 -0.718 18325
5186 1 11 . 1 1 54 54 ARG N N 54 125.094 125.094 122.903 2.191 18325
5187 1 11 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.299 -0.165 18325
5188 1 11 . 1 1 54 54 ARG C C 54 174.863 174.863 175.703 -0.840 18325
5189 1 11 . 1 1 54 54 ARG CA C 54 55.132 55.132 56.172 -1.040 18325
5190 1 11 . 1 1 54 54 ARG CB C 54 27.409 27.409 29.700 -2.291 18325
5191 1 11 . 1 1 54 54 ARG H H 54 8.826 8.826 8.562 0.264 18325
5192 1 11 . 1 1 55 55 THR N N 55 117.920 117.920 120.370 -2.450 18325
5193 1 11 . 1 1 55 55 THR HA H 55 4.020 4.020 4.338 -0.318 18325
5194 1 11 . 1 1 55 55 THR C C 55 172.459 172.459 175.910 -3.451 18325
5195 1 11 . 1 1 55 55 THR CA C 55 63.451 63.451 62.203 1.248 18325
5196 1 11 . 1 1 55 55 THR CB C 55 69.158 69.158 69.569 -0.411 18325
5197 1 11 . 1 1 55 55 THR H H 55 6.994 6.994 8.171 -1.177 18325
5198 1 11 . 1 1 56 56 VAL N N 56 117.300 117.300 123.518 -6.218 18325
5199 1 11 . 1 1 56 56 VAL HA H 56 4.735 4.735 4.068 0.667 18325
5200 1 11 . 1 1 56 56 VAL CA C 56 56.872 56.872 65.454 -8.582 18325
5201 1 11 . 1 1 56 56 VAL CB C 56 34.378 34.378 29.832 4.546 18325
5202 1 11 . 1 1 56 56 VAL H H 56 8.172 8.172 8.767 -0.595 18325
5203 1 11 . 1 1 57 57 PRO HA H 57 5.350 5.350 4.557 0.793 18325
5204 1 11 . 1 1 57 57 PRO C C 57 176.879 176.879 175.316 1.563 18325
5205 1 11 . 1 1 57 57 PRO CA C 57 62.246 62.246 62.361 -0.115 18325
5206 1 11 . 1 1 57 57 PRO CB C 57 34.293 34.293 29.865 4.428 18325
5207 1 11 . 1 1 58 58 THR N N 58 120.440 120.440 121.251 -0.811 18325
5208 1 11 . 1 1 58 58 THR HA H 58 5.042 5.042 4.904 0.138 18325
5209 1 11 . 1 1 58 58 THR C C 58 172.321 172.321 173.152 -0.831 18325
5210 1 11 . 1 1 58 58 THR CA C 58 63.449 63.449 62.538 0.911 18325
5211 1 11 . 1 1 58 58 THR CB C 58 71.892 71.892 70.703 1.190 18325
5212 1 11 . 1 1 58 58 THR H H 58 7.948 7.948 8.705 -0.757 18325
5213 1 11 . 1 1 59 59 VAL N N 59 126.444 126.444 127.768 -1.324 18325
5214 1 11 . 1 1 59 59 VAL HA H 59 5.095 5.095 4.618 0.477 18325
5215 1 11 . 1 1 59 59 VAL C C 59 173.176 173.176 173.498 -0.322 18325
5216 1 11 . 1 1 59 59 VAL CA C 59 60.133 60.133 60.353 -0.220 18325
5217 1 11 . 1 1 59 59 VAL CB C 59 34.117 34.117 34.804 -0.687 18325
5218 1 11 . 1 1 59 59 VAL H H 59 9.428 9.428 9.144 0.284 18325
5219 1 11 . 1 1 60 60 LYS N N 60 126.183 126.183 128.386 -2.203 18325
5220 1 11 . 1 1 60 60 LYS HA H 60 5.379 5.379 5.078 0.301 18325
5221 1 11 . 1 1 60 60 LYS C C 60 175.404 175.404 174.883 0.521 18325
5222 1 11 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.229 0.382 18325
5223 1 11 . 1 1 60 60 LYS CB C 60 37.601 37.601 35.032 2.570 18325
5224 1 11 . 1 1 60 60 LYS H H 60 9.214 9.214 9.084 0.130 18325
5225 1 11 . 1 1 61 61 PHE N N 61 126.709 126.709 123.556 3.153 18325
5226 1 11 . 1 1 61 61 PHE HA H 61 4.736 4.736 4.933 -0.197 18325
5227 1 11 . 1 1 61 61 PHE C C 61 178.102 178.102 177.156 0.946 18325
5228 1 11 . 1 1 61 61 PHE CA C 61 58.048 58.048 56.619 1.429 18325
5229 1 11 . 1 1 61 61 PHE CB C 61 41.221 41.221 41.438 -0.217 18325
5230 1 11 . 1 1 61 61 PHE H H 61 9.069 9.069 9.359 -0.290 18325
5231 1 11 . 1 1 62 62 ALA N N 62 123.358 123.358 125.764 -2.406 18325
5232 1 11 . 1 1 62 62 ALA HA H 62 4.134 4.134 4.093 0.041 18325
5233 1 11 . 1 1 62 62 ALA C C 62 177.754 177.754 177.951 -0.197 18325
5234 1 11 . 1 1 62 62 ALA CA C 62 54.940 54.940 54.312 0.628 18325
5235 1 11 . 1 1 62 62 ALA CB C 62 19.243 19.243 18.486 0.757 18325
5236 1 11 . 1 1 62 62 ALA H H 62 9.728 9.728 9.231 0.497 18325
5237 1 11 . 1 1 63 63 ASP N N 63 113.412 113.412 117.232 -3.820 18325
5238 1 11 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.506 0.080 18325
5239 1 11 . 1 1 63 63 ASP C C 63 177.032 177.032 177.501 -0.469 18325
5240 1 11 . 1 1 63 63 ASP CA C 63 53.141 53.141 54.586 -1.445 18325
5241 1 11 . 1 1 63 63 ASP CB C 63 40.040 40.040 41.169 -1.129 18325
5242 1 11 . 1 1 63 63 ASP H H 63 7.675 7.675 8.096 -0.421 18325
5243 1 11 . 1 1 64 64 GLY N N 64 109.285 109.285 107.453 1.832 18325
5244 1 11 . 1 1 64 64 GLY C C 64 173.680 173.680 173.992 -0.312 18325
5245 1 11 . 1 1 64 64 GLY CA C 64 45.328 45.328 44.981 0.347 18325
5246 1 11 . 1 1 64 64 GLY H H 64 8.361 8.361 7.956 0.405 18325
5247 1 11 . 1 1 65 65 SER N N 65 117.733 117.733 116.186 1.547 18325
5248 1 11 . 1 1 65 65 SER HA H 65 4.567 4.567 4.592 -0.025 18325
5249 1 11 . 1 1 65 65 SER C C 65 173.595 173.595 173.619 -0.024 18325
5250 1 11 . 1 1 65 65 SER CA C 65 58.964 58.964 58.792 0.172 18325
5251 1 11 . 1 1 65 65 SER CB C 65 64.637 64.637 63.694 0.943 18325
5252 1 11 . 1 1 65 65 SER H H 65 8.287 8.287 8.142 0.145 18325
5253 1 11 . 1 1 66 66 THR N N 66 106.725 106.725 118.374 -11.649 18325
5254 1 11 . 1 1 66 66 THR HA H 66 6.250 6.250 5.392 0.858 18325
5255 1 11 . 1 1 66 66 THR C C 66 175.730 175.730 174.162 1.568 18325
5256 1 11 . 1 1 66 66 THR CA C 66 59.494 59.494 61.681 -2.187 18325
5257 1 11 . 1 1 66 66 THR CB C 66 73.049 73.049 71.509 1.540 18325
5258 1 11 . 1 1 66 66 THR H H 66 8.221 8.221 8.329 -0.108 18325
5259 1 11 . 1 1 67 67 LEU N N 67 117.517 117.517 127.561 -10.044 18325
5260 1 11 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.776 0.092 18325
5261 1 11 . 1 1 67 67 LEU C C 67 176.030 176.030 175.530 0.500 18325
5262 1 11 . 1 1 67 67 LEU CA C 67 54.768 54.768 54.355 0.413 18325
5263 1 11 . 1 1 67 67 LEU CB C 67 47.406 47.406 45.450 1.956 18325
5264 1 11 . 1 1 67 67 LEU H H 67 8.763 8.763 9.313 -0.550 18325
5265 1 11 . 1 1 68 68 THR N N 68 120.988 120.988 122.186 -1.198 18325
5266 1 11 . 1 1 68 68 THR HA H 68 4.616 4.616 4.409 0.207 18325
5267 1 11 . 1 1 68 68 THR C C 68 173.201 173.201 173.919 -0.718 18325
5268 1 11 . 1 1 68 68 THR CA C 68 62.802 62.802 62.707 0.095 18325
5269 1 11 . 1 1 68 68 THR CB C 68 69.226 69.226 69.034 0.191 18325
5270 1 11 . 1 1 68 68 THR H H 68 9.226 9.226 8.674 0.552 18325
5271 1 11 . 1 1 69 69 ASN N N 69 122.679 122.679 124.911 -2.232 18325
5272 1 11 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.549 -0.259 18325
5273 1 11 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.508 0.959 18325
5274 1 11 . 1 1 69 69 ASN CB C 69 38.731 38.731 38.364 0.367 18325
5275 1 11 . 1 1 69 69 ASN H H 69 9.097 9.097 8.380 0.717 18325
5276 1 11 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.870 -0.001 18325
5277 1 11 . 1 1 70 70 PRO C C 70 177.239 177.239 175.798 1.441 18325
5278 1 11 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.132 0.925 18325
5279 1 11 . 1 1 70 70 PRO CB C 70 32.153 32.153 33.898 -1.744 18325
5280 1 11 . 1 1 71 71 SER N N 71 115.373 115.373 114.306 1.067 18325
5281 1 11 . 1 1 71 71 SER HA H 71 4.620 4.620 4.492 0.128 18325
5282 1 11 . 1 1 71 71 SER C C 71 175.966 175.966 176.288 -0.322 18325
5283 1 11 . 1 1 71 71 SER CA C 71 56.624 56.624 56.539 0.085 18325
5284 1 11 . 1 1 71 71 SER CB C 71 65.562 65.562 64.264 1.298 18325
5285 1 11 . 1 1 71 71 SER H H 71 8.932 8.932 8.508 0.424 18325
5286 1 11 . 1 1 72 72 ALA N N 72 124.008 124.008 126.490 -2.482 18325
5287 1 11 . 1 1 72 72 ALA HA H 72 3.763 3.763 4.069 -0.306 18325
5288 1 11 . 1 1 72 72 ALA C C 72 179.550 179.550 178.896 0.654 18325
5289 1 11 . 1 1 72 72 ALA CA C 72 55.970 55.970 54.928 1.042 18325
5290 1 11 . 1 1 72 72 ALA CB C 72 17.873 17.873 19.002 -1.129 18325
5291 1 11 . 1 1 72 72 ALA H H 72 9.235 9.235 8.922 0.313 18325
5292 1 11 . 1 1 73 73 ASP N N 73 116.584 116.584 117.641 -1.057 18325
5293 1 11 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.297 0.033 18325
5294 1 11 . 1 1 73 73 ASP C C 73 179.219 179.219 178.466 0.753 18325
5295 1 11 . 1 1 73 73 ASP CA C 73 57.583 57.583 58.008 -0.425 18325
5296 1 11 . 1 1 73 73 ASP CB C 73 40.300 40.300 40.358 -0.058 18325
5297 1 11 . 1 1 73 73 ASP H H 73 8.277 8.277 8.183 0.094 18325
5298 1 11 . 1 1 74 74 GLU N N 74 122.057 122.057 119.318 2.739 18325
5299 1 11 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.144 -0.129 18325
5300 1 11 . 1 1 74 74 GLU C C 74 180.045 180.045 178.995 1.050 18325
5301 1 11 . 1 1 74 74 GLU CA C 74 59.199 59.199 58.795 0.404 18325
5302 1 11 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.415 0.659 18325
5303 1 11 . 1 1 74 74 GLU H H 74 7.925 7.925 7.630 0.295 18325
5304 1 11 . 1 1 75 75 VAL N N 75 120.141 120.141 120.391 -0.250 18325
5305 1 11 . 1 1 75 75 VAL HA H 75 3.681 3.681 3.923 -0.242 18325
5306 1 11 . 1 1 75 75 VAL C C 75 177.008 177.008 177.982 -0.974 18325
5307 1 11 . 1 1 75 75 VAL CA C 75 67.172 67.172 67.059 0.113 18325
5308 1 11 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.486 -0.249 18325
5309 1 11 . 1 1 75 75 VAL H H 75 7.885 7.885 7.742 0.143 18325
5310 1 11 . 1 1 76 76 LYS N N 76 118.715 118.715 120.257 -1.542 18325
5311 1 11 . 1 1 76 76 LYS HA H 76 3.827 3.827 3.929 -0.102 18325
5312 1 11 . 1 1 76 76 LYS C C 76 178.105 178.105 178.371 -0.266 18325
5313 1 11 . 1 1 76 76 LYS CA C 76 60.397 60.397 59.946 0.451 18325
5314 1 11 . 1 1 76 76 LYS CB C 76 32.405 32.405 32.327 0.078 18325
5315 1 11 . 1 1 76 76 LYS H H 76 8.298 8.298 8.518 -0.220 18325
5316 1 11 . 1 1 77 77 ALA N N 77 118.993 118.993 120.354 -1.361 18325
5317 1 11 . 1 1 77 77 ALA HA H 77 4.031 4.031 4.262 -0.231 18325
5318 1 11 . 1 1 77 77 ALA C C 77 180.450 180.450 179.829 0.621 18325
5319 1 11 . 1 1 77 77 ALA CA C 77 54.820 54.820 54.593 0.227 18325
5320 1 11 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.527 -0.327 18325
5321 1 11 . 1 1 77 77 ALA H H 77 7.985 7.985 7.651 0.334 18325
5322 1 11 . 1 1 78 78 LYS N N 78 119.952 119.952 119.186 0.766 18325
5323 1 11 . 1 1 78 78 LYS HA H 78 3.975 3.975 4.120 -0.145 18325
5324 1 11 . 1 1 78 78 LYS C C 78 177.949 177.949 178.543 -0.594 18325
5325 1 11 . 1 1 78 78 LYS CA C 78 58.079 58.079 57.355 0.723 18325
5326 1 11 . 1 1 78 78 LYS CB C 78 31.342 31.342 31.964 -0.622 18325
5327 1 11 . 1 1 78 78 LYS H H 78 7.480 7.480 7.756 -0.276 18325
5328 1 11 . 1 1 79 79 LEU N N 79 118.729 118.729 121.812 -3.083 18325
5329 1 11 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.257 -0.221 18325
5330 1 11 . 1 1 79 79 LEU C C 79 180.234 180.234 178.119 2.115 18325
5331 1 11 . 1 1 79 79 LEU CA C 79 58.096 58.096 58.403 -0.307 18325
5332 1 11 . 1 1 79 79 LEU CB C 79 41.776 41.776 41.900 -0.124 18325
5333 1 11 . 1 1 79 79 LEU H H 79 8.075 8.075 8.682 -0.607 18325
5334 1 11 . 1 1 80 80 VAL N N 80 118.567 118.567 114.278 4.289 18325
5335 1 11 . 1 1 80 80 VAL HA H 80 3.733 3.733 3.671 0.062 18325
5336 1 11 . 1 1 80 80 VAL C C 80 178.390 178.390 177.627 0.763 18325
5337 1 11 . 1 1 80 80 VAL CA C 80 65.895 65.895 66.256 -0.361 18325
5338 1 11 . 1 1 80 80 VAL CB C 80 31.961 31.961 30.785 1.176 18325
5339 1 11 . 1 1 80 80 VAL H H 80 7.867 7.867 7.580 0.287 18325
5340 1 11 . 1 1 81 81 LYS N N 81 121.106 121.106 118.399 2.707 18325
5341 1 11 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.431 -0.339 18325
5342 1 11 . 1 1 81 81 LYS C C 81 179.434 179.434 178.911 0.523 18325
5343 1 11 . 1 1 81 81 LYS CA C 81 58.943 58.943 58.154 0.789 18325
5344 1 11 . 1 1 81 81 LYS CB C 81 32.497 32.497 32.100 0.397 18325
5345 1 11 . 1 1 81 81 LYS H H 81 7.565 7.565 7.389 0.175 18325
5346 1 11 . 1 1 82 82 ILE N N 82 117.365 117.365 114.688 2.677 18325
5347 1 11 . 1 1 82 82 ILE HA H 82 3.953 3.953 4.127 -0.174 18325
5348 1 11 . 1 1 82 82 ILE C C 82 177.482 177.482 177.105 0.377 18325
5349 1 11 . 1 1 82 82 ILE CA C 82 63.598 63.598 62.451 1.147 18325
5350 1 11 . 1 1 82 82 ILE CB C 82 38.372 38.372 37.902 0.470 18325
5351 1 11 . 1 1 82 82 ILE H H 82 8.124 8.124 7.660 0.464 18325
5352 1 11 . 1 1 83 83 ALA N N 83 123.334 123.334 121.285 2.049 18325
5353 1 11 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.311 -0.032 18325
5354 1 11 . 1 1 83 83 ALA C C 83 179.104 179.104 177.923 1.181 18325
5355 1 11 . 1 1 83 83 ALA CA C 83 53.851 53.851 53.548 0.303 18325
5356 1 11 . 1 1 83 83 ALA CB C 83 18.769 18.769 19.888 -1.119 18325
5357 1 11 . 1 1 83 83 ALA H H 83 7.867 7.867 8.007 -0.140 18325
5358 1 11 . 1 1 84 84 GLY N N 84 105.962 105.962 105.684 0.278 18325
5359 1 11 . 1 1 84 84 GLY C C 84 174.779 174.779 172.668 2.111 18325
5360 1 11 . 1 1 84 84 GLY CA C 84 45.847 45.847 44.955 0.892 18325
5361 1 11 . 1 1 84 84 GLY H H 84 8.019 8.019 7.661 0.358 18325
5362 1 11 . 1 1 85 85 LEU N N 85 120.702 120.702 123.138 -2.436 18325
5363 1 11 . 1 1 85 85 LEU HA H 85 4.275 4.275 4.698 -0.423 18325
5364 1 11 . 1 1 85 85 LEU C C 85 177.609 177.609 176.787 0.822 18325
5365 1 11 . 1 1 85 85 LEU CA C 85 55.511 55.511 54.352 1.159 18325
5366 1 11 . 1 1 85 85 LEU CB C 85 42.449 42.449 41.528 0.921 18325
5367 1 11 . 1 1 85 85 LEU H H 85 7.727 7.727 8.479 -0.752 18325
5368 1 11 . 1 1 86 86 GLU N N 86 120.386 120.386 119.699 0.687 18325
5369 1 11 . 1 1 86 86 GLU HA H 86 4.154 4.154 4.152 0.001 18325
5370 1 11 . 1 1 86 86 GLU C C 86 176.359 176.359 176.307 0.052 18325
5371 1 11 . 1 1 86 86 GLU CA C 86 56.941 56.941 56.689 0.252 18325
5372 1 11 . 1 1 86 86 GLU CB C 86 30.180 30.180 29.578 0.602 18325
5373 1 11 . 1 1 86 86 GLU H H 86 8.238 8.238 8.262 -0.024 18325
5374 1 11 . 1 1 87 87 HIS N N 87 119.393 119.393 117.394 1.999 18325
5375 1 11 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.116 0.474 18325
5376 1 11 . 1 1 87 87 HIS C C 87 174.000 174.000 173.396 0.604 18325
5377 1 11 . 1 1 87 87 HIS CA C 87 56.146 56.146 56.184 -0.038 18325
5378 1 11 . 1 1 87 87 HIS CB C 87 30.335 30.335 28.636 1.699 18325
5379 1 11 . 1 1 87 87 HIS H H 87 8.177 8.177 8.313 -0.136 18325
5380 1 12 . 1 1 2 2 VAL HA H 2 4.195 4.195 3.419 0.776 18325
5381 1 12 . 1 1 2 2 VAL C C 2 175.805 175.805 176.931 -1.126 18325
5382 1 12 . 1 1 2 2 VAL CA C 2 62.388 62.388 64.192 -1.804 18325
5383 1 12 . 1 1 2 2 VAL CB C 2 32.777 32.777 31.115 1.662 18325
5384 1 12 . 1 1 3 3 THR N N 3 119.229 119.229 110.584 8.645 18325
5385 1 12 . 1 1 3 3 THR HA H 3 4.259 4.259 3.873 0.386 18325
5386 1 12 . 1 1 3 3 THR C C 3 173.761 173.761 173.588 0.173 18325
5387 1 12 . 1 1 3 3 THR CA C 3 61.673 61.673 64.499 -2.826 18325
5388 1 12 . 1 1 3 3 THR CB C 3 69.846 69.846 68.147 1.699 18325
5389 1 12 . 1 1 3 3 THR H H 3 8.256 8.256 8.471 -0.215 18325
5390 1 12 . 1 1 4 4 ALA N N 4 126.635 126.635 123.891 2.744 18325
5391 1 12 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.486 -0.332 18325
5392 1 12 . 1 1 4 4 ALA C C 4 177.002 177.002 176.771 0.231 18325
5393 1 12 . 1 1 4 4 ALA CA C 4 52.159 52.159 51.383 0.776 18325
5394 1 12 . 1 1 4 4 ALA CB C 4 19.512 19.512 20.546 -1.034 18325
5395 1 12 . 1 1 4 4 ALA H H 4 8.367 8.367 7.695 0.672 18325
5396 1 12 . 1 1 5 5 ALA N N 5 123.621 123.621 125.074 -1.453 18325
5397 1 12 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.298 -0.031 18325
5398 1 12 . 1 1 5 5 ALA C C 5 176.288 176.288 176.609 -0.321 18325
5399 1 12 . 1 1 5 5 ALA CA C 5 52.894 52.894 52.669 0.225 18325
5400 1 12 . 1 1 5 5 ALA CB C 5 19.494 19.494 19.568 -0.074 18325
5401 1 12 . 1 1 5 5 ALA H H 5 8.374 8.374 8.625 -0.251 18325
5402 1 12 . 1 1 6 6 LEU N N 6 115.731 115.731 119.425 -3.694 18325
5403 1 12 . 1 1 6 6 LEU HA H 6 4.648 4.648 4.485 0.163 18325
5404 1 12 . 1 1 6 6 LEU C C 6 175.007 175.007 175.843 -0.836 18325
5405 1 12 . 1 1 6 6 LEU CA C 6 54.263 54.263 54.348 -0.085 18325
5406 1 12 . 1 1 6 6 LEU CB C 6 44.224 44.224 42.723 1.501 18325
5407 1 12 . 1 1 6 6 LEU H H 6 7.478 7.478 7.757 -0.279 18325
5408 1 12 . 1 1 7 7 THR N N 7 119.383 119.383 122.317 -2.934 18325
5409 1 12 . 1 1 7 7 THR HA H 7 4.906 4.906 5.011 -0.105 18325
5410 1 12 . 1 1 7 7 THR C C 7 172.657 172.657 173.610 -0.953 18325
5411 1 12 . 1 1 7 7 THR CA C 7 61.586 61.586 61.932 -0.346 18325
5412 1 12 . 1 1 7 7 THR CB C 7 70.917 70.917 69.181 1.736 18325
5413 1 12 . 1 1 7 7 THR H H 7 8.342 8.342 9.056 -0.714 18325
5414 1 12 . 1 1 8 8 ILE N N 8 124.711 124.711 126.712 -2.001 18325
5415 1 12 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.691 -0.116 18325
5416 1 12 . 1 1 8 8 ILE C C 8 172.650 172.650 174.572 -1.922 18325
5417 1 12 . 1 1 8 8 ILE CA C 8 59.206 59.206 59.850 -0.644 18325
5418 1 12 . 1 1 8 8 ILE CB C 8 40.150 40.150 40.797 -0.647 18325
5419 1 12 . 1 1 8 8 ILE H H 8 9.050 9.050 8.882 0.168 18325
5420 1 12 . 1 1 9 9 TYR N N 9 128.517 128.517 127.567 0.950 18325
5421 1 12 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.628 0.797 18325
5422 1 12 . 1 1 9 9 TYR C C 9 176.445 176.445 175.152 1.293 18325
5423 1 12 . 1 1 9 9 TYR CA C 9 57.397 57.397 58.674 -1.277 18325
5424 1 12 . 1 1 9 9 TYR CB C 9 39.232 39.232 38.284 0.948 18325
5425 1 12 . 1 1 9 9 TYR H H 9 9.094 9.094 9.108 -0.014 18325
5426 1 12 . 1 1 10 10 THR N N 10 112.214 112.214 114.073 -1.859 18325
5427 1 12 . 1 1 10 10 THR HA H 10 4.778 4.778 4.602 0.176 18325
5428 1 12 . 1 1 10 10 THR C C 10 173.410 173.410 173.399 0.011 18325
5429 1 12 . 1 1 10 10 THR CA C 10 59.893 59.893 59.953 -0.060 18325
5430 1 12 . 1 1 10 10 THR CB C 10 72.063 72.063 71.039 1.024 18325
5431 1 12 . 1 1 10 10 THR H H 10 8.824 8.824 8.219 0.605 18325
5432 1 12 . 1 1 11 11 THR N N 11 103.866 103.866 113.907 -10.041 18325
5433 1 12 . 1 1 11 11 THR HA H 11 4.585 4.585 4.659 -0.074 18325
5434 1 12 . 1 1 11 11 THR C C 11 176.335 176.335 174.863 1.472 18325
5435 1 12 . 1 1 11 11 THR CA C 11 60.389 60.389 60.586 -0.197 18325
5436 1 12 . 1 1 11 11 THR CB C 11 72.584 72.584 72.042 0.542 18325
5437 1 12 . 1 1 11 11 THR H H 11 6.667 6.667 8.016 -1.349 18325
5438 1 12 . 1 1 12 12 SER N N 12 116.991 116.991 118.535 -1.544 18325
5439 1 12 . 1 1 12 12 SER HA H 12 4.134 4.134 4.201 -0.067 18325
5440 1 12 . 1 1 12 12 SER C C 12 174.863 174.863 174.690 0.173 18325
5441 1 12 . 1 1 12 12 SER CA C 12 61.183 61.183 61.367 -0.184 18325
5442 1 12 . 1 1 12 12 SER CB C 12 62.845 62.845 63.224 -0.379 18325
5443 1 12 . 1 1 12 12 SER H H 12 9.561 9.561 9.253 0.308 18325
5444 1 12 . 1 1 13 13 TRP N N 13 117.675 117.675 118.641 -0.966 18325
5445 1 12 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.879 -0.104 18325
5446 1 12 . 1 1 13 13 TRP C C 13 175.144 175.144 174.799 0.345 18325
5447 1 12 . 1 1 13 13 TRP CA C 13 54.555 54.555 55.568 -1.013 18325
5448 1 12 . 1 1 13 13 TRP CB C 13 28.292 28.292 30.617 -2.325 18325
5449 1 12 . 1 1 13 13 TRP H H 13 6.996 6.996 7.056 -0.060 18325
5450 1 12 . 1 1 14 14 CYS N N 14 120.513 120.513 124.097 -3.584 18325
5451 1 12 . 1 1 14 14 CYS HA H 14 4.498 4.498 4.769 -0.271 18325
5452 1 12 . 1 1 14 14 CYS CA C 14 53.859 53.859 58.871 -5.012 18325
5453 1 12 . 1 1 14 14 CYS CB C 14 44.419 44.419 29.189 15.230 18325
5454 1 12 . 1 1 14 14 CYS H H 14 6.755 6.755 8.609 -1.854 18325
5455 1 12 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.440 -0.063 18325
5456 1 12 . 1 1 16 16 TYR C C 16 177.495 177.495 177.351 0.144 18325
5457 1 12 . 1 1 16 16 TYR CA C 16 60.662 60.662 60.105 0.557 18325
5458 1 12 . 1 1 16 16 TYR CB C 16 37.852 37.852 38.713 -0.861 18325
5459 1 12 . 1 1 17 17 CYS N N 17 114.160 114.160 117.654 -3.494 18325
5460 1 12 . 1 1 17 17 CYS HA H 17 3.923 3.923 4.021 -0.098 18325
5461 1 12 . 1 1 17 17 CYS C C 17 174.680 174.680 176.638 -1.958 18325
5462 1 12 . 1 1 17 17 CYS CA C 17 65.302 65.302 62.342 2.960 18325
5463 1 12 . 1 1 17 17 CYS CB C 17 33.986 33.986 26.186 7.800 18325
5464 1 12 . 1 1 17 17 CYS H H 17 8.495 8.495 7.920 0.575 18325
5465 1 12 . 1 1 18 18 LEU N N 18 119.295 119.295 120.780 -1.485 18325
5466 1 12 . 1 1 18 18 LEU HA H 18 4.031 4.031 4.038 -0.007 18325
5467 1 12 . 1 1 18 18 LEU C C 18 179.001 179.001 178.211 0.790 18325
5468 1 12 . 1 1 18 18 LEU CA C 18 58.234 58.234 57.554 0.680 18325
5469 1 12 . 1 1 18 18 LEU CB C 18 41.205 41.205 41.615 -0.410 18325
5470 1 12 . 1 1 18 18 LEU H H 18 7.311 7.311 7.825 -0.514 18325
5471 1 12 . 1 1 19 19 ARG N N 19 119.771 119.771 119.446 0.325 18325
5472 1 12 . 1 1 19 19 ARG HA H 19 3.998 3.998 3.938 0.060 18325
5473 1 12 . 1 1 19 19 ARG C C 19 178.949 178.949 178.399 0.550 18325
5474 1 12 . 1 1 19 19 ARG CA C 19 59.597 59.597 59.435 0.162 18325
5475 1 12 . 1 1 19 19 ARG CB C 19 30.006 30.006 29.691 0.315 18325
5476 1 12 . 1 1 19 19 ARG H H 19 7.469 7.469 7.423 0.046 18325
5477 1 12 . 1 1 20 20 LEU N N 20 120.802 120.802 119.295 1.507 18325
5478 1 12 . 1 1 20 20 LEU HA H 20 4.097 4.097 4.132 -0.035 18325
5479 1 12 . 1 1 20 20 LEU C C 20 177.928 177.928 177.924 0.004 18325
5480 1 12 . 1 1 20 20 LEU CA C 20 57.757 57.757 57.160 0.597 18325
5481 1 12 . 1 1 20 20 LEU CB C 20 40.940 40.940 41.803 -0.863 18325
5482 1 12 . 1 1 20 20 LEU H H 20 8.150 8.150 7.440 0.710 18325
5483 1 12 . 1 1 21 21 LYS N N 21 117.910 117.910 119.597 -1.687 18325
5484 1 12 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.568 -0.288 18325
5485 1 12 . 1 1 21 21 LYS C C 21 178.851 178.851 178.778 0.073 18325
5486 1 12 . 1 1 21 21 LYS CA C 21 61.353 61.353 60.211 1.142 18325
5487 1 12 . 1 1 21 21 LYS CB C 21 31.698 31.698 32.203 -0.505 18325
5488 1 12 . 1 1 21 21 LYS H H 21 7.854 7.854 8.238 -0.384 18325
5489 1 12 . 1 1 22 22 THR N N 22 115.451 115.451 114.716 0.735 18325
5490 1 12 . 1 1 22 22 THR HA H 22 3.889 3.889 4.154 -0.265 18325
5491 1 12 . 1 1 22 22 THR C C 22 176.571 176.571 176.091 0.480 18325
5492 1 12 . 1 1 22 22 THR CA C 22 66.849 66.849 66.398 0.451 18325
5493 1 12 . 1 1 22 22 THR CB C 22 68.793 68.793 68.462 0.331 18325
5494 1 12 . 1 1 22 22 THR H H 22 8.125 8.125 8.139 -0.014 18325
5495 1 12 . 1 1 23 23 ALA N N 23 125.218 125.218 124.747 0.471 18325
5496 1 12 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.125 0.149 18325
5497 1 12 . 1 1 23 23 ALA C C 23 180.948 180.948 179.637 1.311 18325
5498 1 12 . 1 1 23 23 ALA CA C 23 55.003 55.003 55.010 -0.007 18325
5499 1 12 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.080 0.762 18325
5500 1 12 . 1 1 23 23 ALA H H 23 7.892 7.892 7.351 0.541 18325
5501 1 12 . 1 1 24 24 LEU N N 24 120.007 120.007 118.153 1.854 18325
5502 1 12 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.941 0.077 18325
5503 1 12 . 1 1 24 24 LEU C C 24 179.738 179.738 179.398 0.340 18325
5504 1 12 . 1 1 24 24 LEU CA C 24 58.807 58.807 57.924 0.883 18325
5505 1 12 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.545 -1.731 18325
5506 1 12 . 1 1 24 24 LEU H H 24 8.775 8.775 8.306 0.469 18325
5507 1 12 . 1 1 25 25 THR N N 25 118.777 118.777 115.665 3.112 18325
5508 1 12 . 1 1 25 25 THR HA H 25 4.175 4.175 4.182 -0.007 18325
5509 1 12 . 1 1 25 25 THR C C 25 178.539 178.539 176.952 1.587 18325
5510 1 12 . 1 1 25 25 THR CA C 25 67.138 67.138 66.698 0.440 18325
5511 1 12 . 1 1 25 25 THR CB C 25 68.679 68.679 68.548 0.131 18325
5512 1 12 . 1 1 25 25 THR H H 25 8.636 8.636 8.003 0.633 18325
5513 1 12 . 1 1 26 26 ALA N N 26 126.122 126.122 122.288 3.834 18325
5514 1 12 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.315 -0.127 18325
5515 1 12 . 1 1 26 26 ALA C C 26 178.536 178.536 177.946 0.590 18325
5516 1 12 . 1 1 26 26 ALA CA C 26 55.134 55.134 54.001 1.133 18325
5517 1 12 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.314 -0.427 18325
5518 1 12 . 1 1 26 26 ALA H H 26 8.357 8.357 7.716 0.641 18325
5519 1 12 . 1 1 27 27 ASN N N 27 114.755 114.755 116.280 -1.525 18325
5520 1 12 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.783 -0.086 18325
5521 1 12 . 1 1 27 27 ASN C C 27 172.751 172.751 174.912 -2.161 18325
5522 1 12 . 1 1 27 27 ASN CA C 27 53.712 53.712 52.815 0.897 18325
5523 1 12 . 1 1 27 27 ASN CB C 27 40.648 40.648 39.143 1.505 18325
5524 1 12 . 1 1 27 27 ASN H H 27 7.456 7.456 7.548 -0.092 18325
5525 1 12 . 1 1 28 28 ARG N N 28 115.444 115.444 114.926 0.518 18325
5526 1 12 . 1 1 28 28 ARG HA H 28 3.934 3.934 3.936 -0.002 18325
5527 1 12 . 1 1 28 28 ARG C C 28 175.075 175.075 175.106 -0.031 18325
5528 1 12 . 1 1 28 28 ARG CA C 28 57.091 57.091 57.320 -0.229 18325
5529 1 12 . 1 1 28 28 ARG CB C 28 26.393 26.393 27.645 -1.252 18325
5530 1 12 . 1 1 28 28 ARG H H 28 8.183 8.183 7.490 0.693 18325
5531 1 12 . 1 1 29 29 ILE N N 29 120.976 120.976 120.114 0.862 18325
5532 1 12 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.314 -0.235 18325
5533 1 12 . 1 1 29 29 ILE C C 29 175.050 175.050 174.864 0.186 18325
5534 1 12 . 1 1 29 29 ILE CA C 29 60.664 60.664 60.993 -0.329 18325
5535 1 12 . 1 1 29 29 ILE CB C 29 38.695 38.695 38.401 0.294 18325
5536 1 12 . 1 1 29 29 ILE H H 29 8.004 8.004 8.316 -0.312 18325
5537 1 12 . 1 1 30 30 ALA N N 30 131.099 131.099 131.075 0.024 18325
5538 1 12 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.442 -0.274 18325
5539 1 12 . 1 1 30 30 ALA C C 30 176.360 176.360 175.405 0.955 18325
5540 1 12 . 1 1 30 30 ALA CA C 30 51.819 51.819 51.630 0.189 18325
5541 1 12 . 1 1 30 30 ALA CB C 30 19.641 19.641 20.391 -0.750 18325
5542 1 12 . 1 1 30 30 ALA H H 30 8.329 8.329 8.543 -0.214 18325
5543 1 12 . 1 1 31 31 TYR N N 31 114.363 114.363 116.297 -1.934 18325
5544 1 12 . 1 1 31 31 TYR HA H 31 5.133 5.133 4.868 0.265 18325
5545 1 12 . 1 1 31 31 TYR C C 31 173.470 173.470 173.212 0.258 18325
5546 1 12 . 1 1 31 31 TYR CA C 31 55.522 55.522 55.608 -0.086 18325
5547 1 12 . 1 1 31 31 TYR CB C 31 41.184 41.184 40.447 0.737 18325
5548 1 12 . 1 1 31 31 TYR H H 31 7.509 7.509 7.499 0.010 18325
5549 1 12 . 1 1 32 32 ASP N N 32 120.754 120.754 122.622 -1.868 18325
5550 1 12 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.870 0.056 18325
5551 1 12 . 1 1 32 32 ASP C C 32 174.611 174.611 175.295 -0.684 18325
5552 1 12 . 1 1 32 32 ASP CA C 32 52.875 52.875 52.359 0.516 18325
5553 1 12 . 1 1 32 32 ASP CB C 32 42.843 42.843 43.292 -0.449 18325
5554 1 12 . 1 1 32 32 ASP H H 32 8.517 8.517 8.712 -0.195 18325
5555 1 12 . 1 1 33 33 GLU N N 33 124.650 124.650 123.817 0.833 18325
5556 1 12 . 1 1 33 33 GLU HA H 33 5.205 5.205 5.223 -0.018 18325
5557 1 12 . 1 1 33 33 GLU C C 33 175.049 175.049 175.865 -0.816 18325
5558 1 12 . 1 1 33 33 GLU CA C 33 54.489 54.489 55.116 -0.627 18325
5559 1 12 . 1 1 33 33 GLU CB C 33 32.425 32.425 31.139 1.286 18325
5560 1 12 . 1 1 33 33 GLU H H 33 8.836 8.836 8.500 0.336 18325
5561 1 12 . 1 1 34 34 VAL N N 34 128.112 128.112 120.664 7.448 18325
5562 1 12 . 1 1 34 34 VAL HA H 34 4.062 4.062 4.115 -0.053 18325
5563 1 12 . 1 1 34 34 VAL C C 34 173.620 173.620 176.993 -3.373 18325
5564 1 12 . 1 1 34 34 VAL CA C 34 61.427 61.427 61.355 0.072 18325
5565 1 12 . 1 1 34 34 VAL CB C 34 34.690 34.690 32.719 1.971 18325
5566 1 12 . 1 1 34 34 VAL H H 34 8.615 8.615 8.314 0.301 18325
5567 1 12 . 1 1 35 35 ASP N N 35 127.319 127.319 123.710 3.609 18325
5568 1 12 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.481 0.456 18325
5569 1 12 . 1 1 35 35 ASP C C 35 179.260 179.260 177.646 1.614 18325
5570 1 12 . 1 1 35 35 ASP CA C 35 61.428 61.428 55.549 5.879 18325
5571 1 12 . 1 1 35 35 ASP CB C 35 41.858 41.858 40.894 0.964 18325
5572 1 12 . 1 1 35 35 ASP H H 35 8.458 8.458 8.829 -0.371 18325
5573 1 12 . 1 1 36 36 ILE N N 36 119.537 119.537 115.185 4.352 18325
5574 1 12 . 1 1 36 36 ILE HA H 36 4.360 4.360 3.962 0.398 18325
5575 1 12 . 1 1 36 36 ILE C C 36 176.943 176.943 176.728 0.215 18325
5576 1 12 . 1 1 36 36 ILE CA C 36 63.681 63.681 63.666 0.015 18325
5577 1 12 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.358 0.279 18325
5578 1 12 . 1 1 36 36 ILE H H 36 8.833 8.833 8.027 0.806 18325
5579 1 12 . 1 1 37 37 GLU N N 37 122.074 122.074 116.956 5.118 18325
5580 1 12 . 1 1 37 37 GLU HA H 37 4.131 4.131 4.057 0.074 18325
5581 1 12 . 1 1 37 37 GLU C C 37 177.224 177.224 176.873 0.351 18325
5582 1 12 . 1 1 37 37 GLU CA C 37 58.503 58.503 58.370 0.133 18325
5583 1 12 . 1 1 37 37 GLU CB C 37 29.312 29.312 29.642 -0.330 18325
5584 1 12 . 1 1 37 37 GLU H H 37 8.815 8.815 8.035 0.780 18325
5585 1 12 . 1 1 38 38 HIS N N 38 114.611 114.611 118.641 -4.030 18325
5586 1 12 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.703 0.143 18325
5587 1 12 . 1 1 38 38 HIS C C 38 174.168 174.168 174.565 -0.397 18325
5588 1 12 . 1 1 38 38 HIS CA C 38 55.189 55.189 56.491 -1.302 18325
5589 1 12 . 1 1 38 38 HIS CB C 38 30.936 30.936 32.021 -1.085 18325
5590 1 12 . 1 1 38 38 HIS H H 38 7.661 7.661 8.385 -0.724 18325
5591 1 12 . 1 1 39 39 ASN N N 39 117.944 117.944 118.954 -1.010 18325
5592 1 12 . 1 1 39 39 ASN HA H 39 4.900 4.900 4.676 0.224 18325
5593 1 12 . 1 1 39 39 ASN C C 39 173.626 173.626 175.907 -2.281 18325
5594 1 12 . 1 1 39 39 ASN CA C 39 52.634 52.634 51.790 0.844 18325
5595 1 12 . 1 1 39 39 ASN CB C 39 39.436 39.436 38.835 0.601 18325
5596 1 12 . 1 1 39 39 ASN H H 39 7.095 7.095 8.037 -0.942 18325
5597 1 12 . 1 1 40 40 ARG N N 40 126.603 126.603 127.061 -0.458 18325
5598 1 12 . 1 1 40 40 ARG HA H 40 4.142 4.142 4.155 -0.013 18325
5599 1 12 . 1 1 40 40 ARG C C 40 178.292 178.292 177.184 1.108 18325
5600 1 12 . 1 1 40 40 ARG CA C 40 59.371 59.371 58.972 0.399 18325
5601 1 12 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.707 0.212 18325
5602 1 12 . 1 1 40 40 ARG H H 40 8.750 8.750 8.668 0.082 18325
5603 1 12 . 1 1 41 41 ALA N N 41 122.148 122.148 123.654 -1.506 18325
5604 1 12 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.186 0.016 18325
5605 1 12 . 1 1 41 41 ALA C C 41 181.236 181.236 179.535 1.701 18325
5606 1 12 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.906 0.170 18325
5607 1 12 . 1 1 41 41 ALA CB C 41 17.795 17.795 18.069 -0.274 18325
5608 1 12 . 1 1 41 41 ALA H H 41 8.460 8.460 7.993 0.467 18325
5609 1 12 . 1 1 42 42 ALA N N 42 122.394 122.394 120.191 2.203 18325
5610 1 12 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.197 0.027 18325
5611 1 12 . 1 1 42 42 ALA C C 42 178.949 178.949 179.281 -0.332 18325
5612 1 12 . 1 1 42 42 ALA CA C 42 54.423 54.423 54.397 0.026 18325
5613 1 12 . 1 1 42 42 ALA CB C 42 19.786 19.786 18.360 1.426 18325
5614 1 12 . 1 1 42 42 ALA H H 42 7.973 7.973 8.365 -0.392 18325
5615 1 12 . 1 1 43 43 ALA N N 43 120.965 120.965 121.850 -0.885 18325
5616 1 12 . 1 1 43 43 ALA HA H 43 3.788 3.788 4.054 -0.266 18325
5617 1 12 . 1 1 43 43 ALA C C 43 179.994 179.994 179.497 0.497 18325
5618 1 12 . 1 1 43 43 ALA CA C 43 56.189 56.189 55.037 1.152 18325
5619 1 12 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.172 -0.139 18325
5620 1 12 . 1 1 43 43 ALA H H 43 8.170 8.170 7.593 0.577 18325
5621 1 12 . 1 1 44 44 GLU N N 44 117.052 117.052 119.312 -2.260 18325
5622 1 12 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.050 -0.097 18325
5623 1 12 . 1 1 44 44 GLU C C 44 179.698 179.698 179.273 0.425 18325
5624 1 12 . 1 1 44 44 GLU CA C 44 58.934 58.934 58.943 -0.009 18325
5625 1 12 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.690 -0.564 18325
5626 1 12 . 1 1 44 44 GLU H H 44 8.240 8.240 8.200 0.040 18325
5627 1 12 . 1 1 45 45 PHE N N 45 122.282 122.282 120.404 1.878 18325
5628 1 12 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.246 -0.014 18325
5629 1 12 . 1 1 45 45 PHE C C 45 177.994 177.994 177.481 0.513 18325
5630 1 12 . 1 1 45 45 PHE CA C 45 61.170 61.170 60.961 0.209 18325
5631 1 12 . 1 1 45 45 PHE CB C 45 38.225 38.225 39.319 -1.094 18325
5632 1 12 . 1 1 45 45 PHE H H 45 8.068 8.068 7.786 0.282 18325
5633 1 12 . 1 1 46 46 VAL N N 46 120.442 120.442 118.659 1.783 18325
5634 1 12 . 1 1 46 46 VAL HA H 46 2.908 2.908 3.348 -0.440 18325
5635 1 12 . 1 1 46 46 VAL C C 46 178.852 178.852 177.744 1.108 18325
5636 1 12 . 1 1 46 46 VAL CA C 46 67.186 67.186 65.963 1.223 18325
5637 1 12 . 1 1 46 46 VAL CB C 46 31.143 31.143 30.228 0.915 18325
5638 1 12 . 1 1 46 46 VAL H H 46 8.363 8.363 7.812 0.551 18325
5639 1 12 . 1 1 47 47 GLY N N 47 105.864 105.864 105.347 0.517 18325
5640 1 12 . 1 1 47 47 GLY C C 47 176.759 176.759 175.185 1.574 18325
5641 1 12 . 1 1 47 47 GLY CA C 47 46.690 46.690 46.679 0.011 18325
5642 1 12 . 1 1 47 47 GLY H H 47 8.187 8.187 7.619 0.568 18325
5643 1 12 . 1 1 48 48 SER N N 48 118.796 118.796 115.023 3.773 18325
5644 1 12 . 1 1 48 48 SER HA H 48 4.201 4.201 4.311 -0.110 18325
5645 1 12 . 1 1 48 48 SER C C 48 176.571 176.571 175.496 1.075 18325
5646 1 12 . 1 1 48 48 SER CA C 48 61.440 61.440 59.538 1.903 18325
5647 1 12 . 1 1 48 48 SER CB C 48 62.661 62.661 63.206 -0.546 18325
5648 1 12 . 1 1 48 48 SER H H 48 8.045 8.045 7.514 0.531 18325
5649 1 12 . 1 1 49 49 VAL N N 49 114.967 114.967 114.798 0.169 18325
5650 1 12 . 1 1 49 49 VAL HA H 49 4.356 4.356 4.059 0.297 18325
5651 1 12 . 1 1 49 49 VAL C C 49 175.807 175.807 175.380 0.427 18325
5652 1 12 . 1 1 49 49 VAL CA C 49 62.064 62.064 62.247 -0.183 18325
5653 1 12 . 1 1 49 49 VAL CB C 49 31.110 31.110 32.661 -1.551 18325
5654 1 12 . 1 1 49 49 VAL H H 49 7.040 7.040 7.274 -0.234 18325
5655 1 12 . 1 1 50 50 ASN N N 50 119.765 119.765 118.044 1.721 18325
5656 1 12 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.843 0.291 18325
5657 1 12 . 1 1 50 50 ASN C C 50 176.473 176.473 173.253 3.220 18325
5658 1 12 . 1 1 50 50 ASN CA C 50 53.454 53.454 52.827 0.627 18325
5659 1 12 . 1 1 50 50 ASN CB C 50 40.815 40.815 41.192 -0.377 18325
5660 1 12 . 1 1 50 50 ASN H H 50 7.364 7.364 7.787 -0.423 18325
5661 1 12 . 1 1 51 51 GLY N N 51 110.407 110.407 106.198 4.209 18325
5662 1 12 . 1 1 51 51 GLY C C 51 174.967 174.967 175.151 -0.184 18325
5663 1 12 . 1 1 51 51 GLY CA C 51 47.543 47.543 44.440 3.103 18325
5664 1 12 . 1 1 51 51 GLY H H 51 8.546 8.546 8.353 0.193 18325
5665 1 12 . 1 1 52 52 GLY N N 52 106.482 106.482 110.537 -4.055 18325
5666 1 12 . 1 1 52 52 GLY C C 52 174.134 174.134 174.657 -0.523 18325
5667 1 12 . 1 1 52 52 GLY CA C 52 44.424 44.424 45.542 -1.118 18325
5668 1 12 . 1 1 52 52 GLY H H 52 8.810 8.810 8.447 0.363 18325
5669 1 12 . 1 1 53 53 ASN N N 53 119.129 119.129 123.670 -4.541 18325
5670 1 12 . 1 1 53 53 ASN HA H 53 4.738 4.738 4.859 -0.121 18325
5671 1 12 . 1 1 53 53 ASN C C 53 174.828 174.828 174.124 0.704 18325
5672 1 12 . 1 1 53 53 ASN CA C 53 52.654 52.654 52.307 0.347 18325
5673 1 12 . 1 1 53 53 ASN CB C 53 40.237 40.237 39.434 0.802 18325
5674 1 12 . 1 1 53 53 ASN H H 53 7.330 7.330 8.250 -0.920 18325
5675 1 12 . 1 1 54 54 ARG N N 54 125.094 125.094 126.510 -1.416 18325
5676 1 12 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.523 -0.389 18325
5677 1 12 . 1 1 54 54 ARG C C 54 174.863 174.863 176.111 -1.248 18325
5678 1 12 . 1 1 54 54 ARG CA C 54 55.132 55.132 56.305 -1.173 18325
5679 1 12 . 1 1 54 54 ARG CB C 54 27.409 27.409 30.170 -2.761 18325
5680 1 12 . 1 1 54 54 ARG H H 54 8.826 8.826 8.701 0.125 18325
5681 1 12 . 1 1 55 55 THR N N 55 117.920 117.920 124.535 -6.615 18325
5682 1 12 . 1 1 55 55 THR HA H 55 4.020 4.020 4.312 -0.292 18325
5683 1 12 . 1 1 55 55 THR C C 55 172.459 172.459 175.062 -2.603 18325
5684 1 12 . 1 1 55 55 THR CA C 55 63.451 63.451 63.283 0.168 18325
5685 1 12 . 1 1 55 55 THR CB C 55 69.158 69.158 68.901 0.257 18325
5686 1 12 . 1 1 55 55 THR H H 55 6.994 6.994 9.080 -2.086 18325
5687 1 12 . 1 1 56 56 VAL N N 56 117.300 117.300 127.579 -10.279 18325
5688 1 12 . 1 1 56 56 VAL HA H 56 4.735 4.735 4.064 0.671 18325
5689 1 12 . 1 1 56 56 VAL CA C 56 56.872 56.872 66.085 -9.213 18325
5690 1 12 . 1 1 56 56 VAL CB C 56 34.378 34.378 29.641 4.737 18325
5691 1 12 . 1 1 56 56 VAL H H 56 8.172 8.172 8.690 -0.518 18325
5692 1 12 . 1 1 57 57 PRO HA H 57 5.350 5.350 4.885 0.465 18325
5693 1 12 . 1 1 57 57 PRO C C 57 176.879 176.879 176.140 0.739 18325
5694 1 12 . 1 1 57 57 PRO CA C 57 62.246 62.246 62.108 0.138 18325
5695 1 12 . 1 1 57 57 PRO CB C 57 34.293 34.293 29.730 4.563 18325
5696 1 12 . 1 1 58 58 THR N N 58 120.440 120.440 117.004 3.436 18325
5697 1 12 . 1 1 58 58 THR HA H 58 5.042 5.042 4.655 0.387 18325
5698 1 12 . 1 1 58 58 THR C C 58 172.321 172.321 173.371 -1.050 18325
5699 1 12 . 1 1 58 58 THR CA C 58 63.449 63.449 63.654 -0.205 18325
5700 1 12 . 1 1 58 58 THR CB C 58 71.892 71.892 70.491 1.401 18325
5701 1 12 . 1 1 58 58 THR H H 58 7.948 7.948 8.372 -0.424 18325
5702 1 12 . 1 1 59 59 VAL N N 59 126.444 126.444 126.279 0.165 18325
5703 1 12 . 1 1 59 59 VAL HA H 59 5.095 5.095 4.963 0.132 18325
5704 1 12 . 1 1 59 59 VAL C C 59 173.176 173.176 173.190 -0.014 18325
5705 1 12 . 1 1 59 59 VAL CA C 59 60.133 60.133 59.593 0.540 18325
5706 1 12 . 1 1 59 59 VAL CB C 59 34.117 34.117 35.563 -1.446 18325
5707 1 12 . 1 1 59 59 VAL H H 59 9.428 9.428 8.891 0.537 18325
5708 1 12 . 1 1 60 60 LYS N N 60 126.183 126.183 128.520 -2.337 18325
5709 1 12 . 1 1 60 60 LYS HA H 60 5.379 5.379 5.292 0.087 18325
5710 1 12 . 1 1 60 60 LYS C C 60 175.404 175.404 174.992 0.412 18325
5711 1 12 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.438 0.173 18325
5712 1 12 . 1 1 60 60 LYS CB C 60 37.601 37.601 35.506 2.095 18325
5713 1 12 . 1 1 60 60 LYS H H 60 9.214 9.214 8.969 0.245 18325
5714 1 12 . 1 1 61 61 PHE N N 61 126.709 126.709 123.572 3.137 18325
5715 1 12 . 1 1 61 61 PHE HA H 61 4.736 4.736 5.392 -0.656 18325
5716 1 12 . 1 1 61 61 PHE C C 61 178.102 178.102 177.190 0.912 18325
5717 1 12 . 1 1 61 61 PHE CA C 61 58.048 58.048 56.513 1.535 18325
5718 1 12 . 1 1 61 61 PHE CB C 61 41.221 41.221 41.561 -0.340 18325
5719 1 12 . 1 1 61 61 PHE H H 61 9.069 9.069 9.475 -0.406 18325
5720 1 12 . 1 1 62 62 ALA N N 62 123.358 123.358 125.620 -2.262 18325
5721 1 12 . 1 1 62 62 ALA HA H 62 4.134 4.134 4.089 0.045 18325
5722 1 12 . 1 1 62 62 ALA C C 62 177.754 177.754 177.503 0.251 18325
5723 1 12 . 1 1 62 62 ALA CA C 62 54.940 54.940 54.559 0.381 18325
5724 1 12 . 1 1 62 62 ALA CB C 62 19.243 19.243 18.444 0.799 18325
5725 1 12 . 1 1 62 62 ALA H H 62 9.728 9.728 8.704 1.024 18325
5726 1 12 . 1 1 63 63 ASP N N 63 113.412 113.412 115.825 -2.413 18325
5727 1 12 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.591 -0.005 18325
5728 1 12 . 1 1 63 63 ASP C C 63 177.032 177.032 177.559 -0.527 18325
5729 1 12 . 1 1 63 63 ASP CA C 63 53.141 53.141 53.804 -0.663 18325
5730 1 12 . 1 1 63 63 ASP CB C 63 40.040 40.040 40.669 -0.629 18325
5731 1 12 . 1 1 63 63 ASP H H 63 7.675 7.675 8.053 -0.378 18325
5732 1 12 . 1 1 64 64 GLY N N 64 109.285 109.285 108.592 0.693 18325
5733 1 12 . 1 1 64 64 GLY C C 64 173.680 173.680 174.240 -0.560 18325
5734 1 12 . 1 1 64 64 GLY CA C 64 45.328 45.328 44.754 0.574 18325
5735 1 12 . 1 1 64 64 GLY H H 64 8.361 8.361 8.077 0.284 18325
5736 1 12 . 1 1 65 65 SER N N 65 117.733 117.733 119.194 -1.461 18325
5737 1 12 . 1 1 65 65 SER HA H 65 4.567 4.567 4.672 -0.105 18325
5738 1 12 . 1 1 65 65 SER C C 65 173.595 173.595 173.726 -0.131 18325
5739 1 12 . 1 1 65 65 SER CA C 65 58.964 58.964 58.997 -0.033 18325
5740 1 12 . 1 1 65 65 SER CB C 65 64.637 64.637 64.063 0.574 18325
5741 1 12 . 1 1 65 65 SER H H 65 8.287 8.287 8.515 -0.228 18325
5742 1 12 . 1 1 66 66 THR N N 66 106.725 106.725 117.227 -10.502 18325
5743 1 12 . 1 1 66 66 THR HA H 66 6.250 6.250 5.414 0.836 18325
5744 1 12 . 1 1 66 66 THR C C 66 175.730 175.730 174.073 1.657 18325
5745 1 12 . 1 1 66 66 THR CA C 66 59.494 59.494 60.467 -0.973 18325
5746 1 12 . 1 1 66 66 THR CB C 66 73.049 73.049 70.811 2.238 18325
5747 1 12 . 1 1 66 66 THR H H 66 8.221 8.221 8.546 -0.325 18325
5748 1 12 . 1 1 67 67 LEU N N 67 117.517 117.517 127.767 -10.250 18325
5749 1 12 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.779 0.089 18325
5750 1 12 . 1 1 67 67 LEU C C 67 176.030 176.030 175.573 0.457 18325
5751 1 12 . 1 1 67 67 LEU CA C 67 54.768 54.768 54.616 0.152 18325
5752 1 12 . 1 1 67 67 LEU CB C 67 47.406 47.406 45.105 2.301 18325
5753 1 12 . 1 1 67 67 LEU H H 67 8.763 8.763 9.407 -0.644 18325
5754 1 12 . 1 1 68 68 THR N N 68 120.988 120.988 121.004 -0.016 18325
5755 1 12 . 1 1 68 68 THR HA H 68 4.616 4.616 4.568 0.048 18325
5756 1 12 . 1 1 68 68 THR C C 68 173.201 173.201 173.982 -0.781 18325
5757 1 12 . 1 1 68 68 THR CA C 68 62.802 62.802 62.023 0.778 18325
5758 1 12 . 1 1 68 68 THR CB C 68 69.226 69.226 69.028 0.198 18325
5759 1 12 . 1 1 68 68 THR H H 68 9.226 9.226 8.648 0.578 18325
5760 1 12 . 1 1 69 69 ASN N N 69 122.679 122.679 121.321 1.358 18325
5761 1 12 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.570 -0.280 18325
5762 1 12 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.484 0.982 18325
5763 1 12 . 1 1 69 69 ASN CB C 69 38.731 38.731 37.507 1.224 18325
5764 1 12 . 1 1 69 69 ASN H H 69 9.097 9.097 8.745 0.352 18325
5765 1 12 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.652 0.217 18325
5766 1 12 . 1 1 70 70 PRO C C 70 177.239 177.239 175.993 1.246 18325
5767 1 12 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.415 0.642 18325
5768 1 12 . 1 1 70 70 PRO CB C 70 32.153 32.153 32.847 -0.694 18325
5769 1 12 . 1 1 71 71 SER N N 71 115.373 115.373 113.238 2.135 18325
5770 1 12 . 1 1 71 71 SER HA H 71 4.620 4.620 4.557 0.063 18325
5771 1 12 . 1 1 71 71 SER C C 71 175.966 175.966 176.135 -0.169 18325
5772 1 12 . 1 1 71 71 SER CA C 71 56.624 56.624 56.385 0.239 18325
5773 1 12 . 1 1 71 71 SER CB C 71 65.562 65.562 64.775 0.787 18325
5774 1 12 . 1 1 71 71 SER H H 71 8.932 8.932 8.231 0.701 18325
5775 1 12 . 1 1 72 72 ALA N N 72 124.008 124.008 126.633 -2.625 18325
5776 1 12 . 1 1 72 72 ALA HA H 72 3.763 3.763 4.135 -0.372 18325
5777 1 12 . 1 1 72 72 ALA C C 72 179.550 179.550 179.479 0.071 18325
5778 1 12 . 1 1 72 72 ALA CA C 72 55.970 55.970 54.855 1.115 18325
5779 1 12 . 1 1 72 72 ALA CB C 72 17.873 17.873 18.683 -0.810 18325
5780 1 12 . 1 1 72 72 ALA H H 72 9.235 9.235 8.883 0.352 18325
5781 1 12 . 1 1 73 73 ASP N N 73 116.584 116.584 118.618 -2.034 18325
5782 1 12 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.292 0.038 18325
5783 1 12 . 1 1 73 73 ASP C C 73 179.219 179.219 178.618 0.601 18325
5784 1 12 . 1 1 73 73 ASP CA C 73 57.583 57.583 57.985 -0.402 18325
5785 1 12 . 1 1 73 73 ASP CB C 73 40.300 40.300 40.455 -0.155 18325
5786 1 12 . 1 1 73 73 ASP H H 73 8.277 8.277 7.843 0.434 18325
5787 1 12 . 1 1 74 74 GLU N N 74 122.057 122.057 119.902 2.155 18325
5788 1 12 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.122 -0.107 18325
5789 1 12 . 1 1 74 74 GLU C C 74 180.045 180.045 179.263 0.782 18325
5790 1 12 . 1 1 74 74 GLU CA C 74 59.199 59.199 58.817 0.382 18325
5791 1 12 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.340 0.734 18325
5792 1 12 . 1 1 74 74 GLU H H 74 7.925 7.925 7.647 0.278 18325
5793 1 12 . 1 1 75 75 VAL N N 75 120.141 120.141 120.702 -0.561 18325
5794 1 12 . 1 1 75 75 VAL HA H 75 3.681 3.681 3.767 -0.086 18325
5795 1 12 . 1 1 75 75 VAL C C 75 177.008 177.008 177.828 -0.820 18325
5796 1 12 . 1 1 75 75 VAL CA C 75 67.172 67.172 66.932 0.240 18325
5797 1 12 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.613 -0.376 18325
5798 1 12 . 1 1 75 75 VAL H H 75 7.885 7.885 7.890 -0.005 18325
5799 1 12 . 1 1 76 76 LYS N N 76 118.715 118.715 120.106 -1.391 18325
5800 1 12 . 1 1 76 76 LYS HA H 76 3.827 3.827 3.901 -0.074 18325
5801 1 12 . 1 1 76 76 LYS C C 76 178.105 178.105 178.694 -0.589 18325
5802 1 12 . 1 1 76 76 LYS CA C 76 60.397 60.397 59.997 0.400 18325
5803 1 12 . 1 1 76 76 LYS CB C 76 32.405 32.405 32.373 0.032 18325
5804 1 12 . 1 1 76 76 LYS H H 76 8.298 8.298 8.458 -0.160 18325
5805 1 12 . 1 1 77 77 ALA N N 77 118.993 118.993 121.045 -2.052 18325
5806 1 12 . 1 1 77 77 ALA HA H 77 4.031 4.031 4.067 -0.036 18325
5807 1 12 . 1 1 77 77 ALA C C 77 180.450 180.450 179.665 0.785 18325
5808 1 12 . 1 1 77 77 ALA CA C 77 54.820 54.820 55.023 -0.203 18325
5809 1 12 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.198 0.002 18325
5810 1 12 . 1 1 77 77 ALA H H 77 7.985 7.985 8.236 -0.251 18325
5811 1 12 . 1 1 78 78 LYS N N 78 119.952 119.952 119.442 0.510 18325
5812 1 12 . 1 1 78 78 LYS HA H 78 3.975 3.975 3.872 0.103 18325
5813 1 12 . 1 1 78 78 LYS C C 78 177.949 177.949 178.399 -0.450 18325
5814 1 12 . 1 1 78 78 LYS CA C 78 58.079 58.079 58.464 -0.385 18325
5815 1 12 . 1 1 78 78 LYS CB C 78 31.342 31.342 31.675 -0.333 18325
5816 1 12 . 1 1 78 78 LYS H H 78 7.480 7.480 7.898 -0.418 18325
5817 1 12 . 1 1 79 79 LEU N N 79 118.729 118.729 120.388 -1.659 18325
5818 1 12 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.086 -0.050 18325
5819 1 12 . 1 1 79 79 LEU C C 79 180.234 180.234 178.592 1.642 18325
5820 1 12 . 1 1 79 79 LEU CA C 79 58.096 58.096 58.102 -0.006 18325
5821 1 12 . 1 1 79 79 LEU CB C 79 41.776 41.776 41.731 0.045 18325
5822 1 12 . 1 1 79 79 LEU H H 79 8.075 8.075 8.199 -0.124 18325
5823 1 12 . 1 1 80 80 VAL N N 80 118.567 118.567 114.470 4.097 18325
5824 1 12 . 1 1 80 80 VAL HA H 80 3.733 3.733 3.765 -0.032 18325
5825 1 12 . 1 1 80 80 VAL C C 80 178.390 178.390 177.873 0.517 18325
5826 1 12 . 1 1 80 80 VAL CA C 80 65.895 65.895 65.882 0.013 18325
5827 1 12 . 1 1 80 80 VAL CB C 80 31.961 31.961 30.755 1.206 18325
5828 1 12 . 1 1 80 80 VAL H H 80 7.867 7.867 8.110 -0.243 18325
5829 1 12 . 1 1 81 81 LYS N N 81 121.106 121.106 119.571 1.535 18325
5830 1 12 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.098 -0.006 18325
5831 1 12 . 1 1 81 81 LYS C C 81 179.434 179.434 178.754 0.680 18325
5832 1 12 . 1 1 81 81 LYS CA C 81 58.943 58.943 58.909 0.034 18325
5833 1 12 . 1 1 81 81 LYS CB C 81 32.497 32.497 32.434 0.063 18325
5834 1 12 . 1 1 81 81 LYS H H 81 7.565 7.565 7.359 0.206 18325
5835 1 12 . 1 1 82 82 ILE N N 82 117.365 117.365 115.254 2.111 18325
5836 1 12 . 1 1 82 82 ILE HA H 82 3.953 3.953 4.105 -0.152 18325
5837 1 12 . 1 1 82 82 ILE C C 82 177.482 177.482 177.245 0.237 18325
5838 1 12 . 1 1 82 82 ILE CA C 82 63.598 63.598 62.737 0.861 18325
5839 1 12 . 1 1 82 82 ILE CB C 82 38.372 38.372 37.488 0.884 18325
5840 1 12 . 1 1 82 82 ILE H H 82 8.124 8.124 7.941 0.183 18325
5841 1 12 . 1 1 83 83 ALA N N 83 123.334 123.334 121.066 2.268 18325
5842 1 12 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.476 -0.197 18325
5843 1 12 . 1 1 83 83 ALA C C 83 179.104 179.104 179.119 -0.015 18325
5844 1 12 . 1 1 83 83 ALA CA C 83 53.851 53.851 52.998 0.853 18325
5845 1 12 . 1 1 83 83 ALA CB C 83 18.769 18.769 19.922 -1.153 18325
5846 1 12 . 1 1 83 83 ALA H H 83 7.867 7.867 8.251 -0.384 18325
5847 1 12 . 1 1 84 84 GLY N N 84 105.962 105.962 107.512 -1.550 18325
5848 1 12 . 1 1 84 84 GLY C C 84 174.779 174.779 173.798 0.981 18325
5849 1 12 . 1 1 84 84 GLY CA C 84 45.847 45.847 46.474 -0.627 18325
5850 1 12 . 1 1 84 84 GLY H H 84 8.019 8.019 8.219 -0.200 18325
5851 1 12 . 1 1 85 85 LEU N N 85 120.702 120.702 121.022 -0.320 18325
5852 1 12 . 1 1 85 85 LEU HA H 85 4.275 4.275 5.156 -0.881 18325
5853 1 12 . 1 1 85 85 LEU C C 85 177.609 177.609 177.309 0.300 18325
5854 1 12 . 1 1 85 85 LEU CA C 85 55.511 55.511 53.169 2.341 18325
5855 1 12 . 1 1 85 85 LEU CB C 85 42.449 42.449 44.114 -1.665 18325
5856 1 12 . 1 1 85 85 LEU H H 85 7.727 7.727 7.709 0.018 18325
5857 1 12 . 1 1 86 86 GLU N N 86 120.386 120.386 118.629 1.757 18325
5858 1 12 . 1 1 86 86 GLU HA H 86 4.154 4.154 3.885 0.269 18325
5859 1 12 . 1 1 86 86 GLU C C 86 176.359 176.359 177.272 -0.913 18325
5860 1 12 . 1 1 86 86 GLU CA C 86 56.941 56.941 58.819 -1.878 18325
5861 1 12 . 1 1 86 86 GLU CB C 86 30.180 30.180 28.368 1.812 18325
5862 1 12 . 1 1 86 86 GLU H H 86 8.238 8.238 8.742 -0.504 18325
5863 1 12 . 1 1 87 87 HIS N N 87 119.393 119.393 119.129 0.264 18325
5864 1 12 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.605 -0.015 18325
5865 1 12 . 1 1 87 87 HIS C C 87 174.000 174.000 175.213 -1.213 18325
5866 1 12 . 1 1 87 87 HIS CA C 87 56.146 56.146 57.072 -0.926 18325
5867 1 12 . 1 1 87 87 HIS CB C 87 30.335 30.335 30.861 -0.527 18325
5868 1 12 . 1 1 87 87 HIS H H 87 8.177 8.177 8.198 -0.021 18325
5869 1 13 . 1 1 2 2 VAL HA H 2 4.195 4.195 4.126 0.069 18325
5870 1 13 . 1 1 2 2 VAL C C 2 175.805 175.805 177.268 -1.463 18325
5871 1 13 . 1 1 2 2 VAL CA C 2 62.388 62.388 63.947 -1.559 18325
5872 1 13 . 1 1 2 2 VAL CB C 2 32.777 32.777 33.075 -0.298 18325
5873 1 13 . 1 1 3 3 THR N N 3 119.229 119.229 114.393 4.836 18325
5874 1 13 . 1 1 3 3 THR HA H 3 4.259 4.259 4.083 0.176 18325
5875 1 13 . 1 1 3 3 THR C C 3 173.761 173.761 174.650 -0.889 18325
5876 1 13 . 1 1 3 3 THR CA C 3 61.673 61.673 64.129 -2.455 18325
5877 1 13 . 1 1 3 3 THR CB C 3 69.846 69.846 68.867 0.979 18325
5878 1 13 . 1 1 3 3 THR H H 3 8.256 8.256 7.765 0.491 18325
5879 1 13 . 1 1 4 4 ALA N N 4 126.635 126.635 122.449 4.186 18325
5880 1 13 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.538 -0.384 18325
5881 1 13 . 1 1 4 4 ALA C C 4 177.002 177.002 176.390 0.612 18325
5882 1 13 . 1 1 4 4 ALA CA C 4 52.159 52.159 50.445 1.714 18325
5883 1 13 . 1 1 4 4 ALA CB C 4 19.512 19.512 20.968 -1.456 18325
5884 1 13 . 1 1 4 4 ALA H H 4 8.367 8.367 8.035 0.332 18325
5885 1 13 . 1 1 5 5 ALA N N 5 123.621 123.621 123.772 -0.151 18325
5886 1 13 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.178 0.089 18325
5887 1 13 . 1 1 5 5 ALA C C 5 176.288 176.288 177.268 -0.980 18325
5888 1 13 . 1 1 5 5 ALA CA C 5 52.894 52.894 53.687 -0.793 18325
5889 1 13 . 1 1 5 5 ALA CB C 5 19.494 19.494 19.180 0.314 18325
5890 1 13 . 1 1 5 5 ALA H H 5 8.374 8.374 8.473 -0.099 18325
5891 1 13 . 1 1 6 6 LEU N N 6 115.731 115.731 117.559 -1.828 18325
5892 1 13 . 1 1 6 6 LEU HA H 6 4.648 4.648 4.465 0.183 18325
5893 1 13 . 1 1 6 6 LEU C C 6 175.007 175.007 175.248 -0.241 18325
5894 1 13 . 1 1 6 6 LEU CA C 6 54.263 54.263 54.015 0.248 18325
5895 1 13 . 1 1 6 6 LEU CB C 6 44.224 44.224 45.633 -1.409 18325
5896 1 13 . 1 1 6 6 LEU H H 6 7.478 7.478 7.291 0.187 18325
5897 1 13 . 1 1 7 7 THR N N 7 119.383 119.383 121.462 -2.079 18325
5898 1 13 . 1 1 7 7 THR HA H 7 4.906 4.906 4.890 0.016 18325
5899 1 13 . 1 1 7 7 THR C C 7 172.657 172.657 173.028 -0.371 18325
5900 1 13 . 1 1 7 7 THR CA C 7 61.586 61.586 62.031 -0.445 18325
5901 1 13 . 1 1 7 7 THR CB C 7 70.917 70.917 69.574 1.343 18325
5902 1 13 . 1 1 7 7 THR H H 7 8.342 8.342 7.967 0.375 18325
5903 1 13 . 1 1 8 8 ILE N N 8 124.711 124.711 126.884 -2.173 18325
5904 1 13 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.498 0.077 18325
5905 1 13 . 1 1 8 8 ILE C C 8 172.650 172.650 174.040 -1.390 18325
5906 1 13 . 1 1 8 8 ILE CA C 8 59.206 59.206 59.925 -0.719 18325
5907 1 13 . 1 1 8 8 ILE CB C 8 40.150 40.150 41.259 -1.109 18325
5908 1 13 . 1 1 8 8 ILE H H 8 9.050 9.050 9.176 -0.126 18325
5909 1 13 . 1 1 9 9 TYR N N 9 128.517 128.517 127.758 0.759 18325
5910 1 13 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.752 0.673 18325
5911 1 13 . 1 1 9 9 TYR C C 9 176.445 176.445 174.673 1.772 18325
5912 1 13 . 1 1 9 9 TYR CA C 9 57.397 57.397 58.233 -0.836 18325
5913 1 13 . 1 1 9 9 TYR CB C 9 39.232 39.232 39.274 -0.042 18325
5914 1 13 . 1 1 9 9 TYR H H 9 9.094 9.094 9.187 -0.093 18325
5915 1 13 . 1 1 10 10 THR N N 10 112.214 112.214 112.518 -0.304 18325
5916 1 13 . 1 1 10 10 THR HA H 10 4.778 4.778 4.504 0.274 18325
5917 1 13 . 1 1 10 10 THR C C 10 173.410 173.410 172.538 0.872 18325
5918 1 13 . 1 1 10 10 THR CA C 10 59.893 59.893 60.344 -0.451 18325
5919 1 13 . 1 1 10 10 THR CB C 10 72.063 72.063 71.504 0.559 18325
5920 1 13 . 1 1 10 10 THR H H 10 8.824 8.824 8.431 0.393 18325
5921 1 13 . 1 1 11 11 THR N N 11 103.866 103.866 115.184 -11.318 18325
5922 1 13 . 1 1 11 11 THR HA H 11 4.585 4.585 4.583 0.002 18325
5923 1 13 . 1 1 11 11 THR C C 11 176.335 176.335 175.118 1.217 18325
5924 1 13 . 1 1 11 11 THR CA C 11 60.389 60.389 60.412 -0.023 18325
5925 1 13 . 1 1 11 11 THR CB C 11 72.584 72.584 71.518 1.066 18325
5926 1 13 . 1 1 11 11 THR H H 11 6.667 6.667 7.807 -1.140 18325
5927 1 13 . 1 1 12 12 SER N N 12 116.991 116.991 118.648 -1.657 18325
5928 1 13 . 1 1 12 12 SER HA H 12 4.134 4.134 4.347 -0.213 18325
5929 1 13 . 1 1 12 12 SER C C 12 174.863 174.863 175.244 -0.381 18325
5930 1 13 . 1 1 12 12 SER CA C 12 61.183 61.183 60.438 0.745 18325
5931 1 13 . 1 1 12 12 SER CB C 12 62.845 62.845 63.575 -0.730 18325
5932 1 13 . 1 1 12 12 SER H H 12 9.561 9.561 9.785 -0.224 18325
5933 1 13 . 1 1 13 13 TRP N N 13 117.675 117.675 124.505 -6.830 18325
5934 1 13 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.685 0.090 18325
5935 1 13 . 1 1 13 13 TRP C C 13 175.144 175.144 174.346 0.798 18325
5936 1 13 . 1 1 13 13 TRP CA C 13 54.555 54.555 57.030 -2.475 18325
5937 1 13 . 1 1 13 13 TRP CB C 13 28.292 28.292 28.180 0.112 18325
5938 1 13 . 1 1 13 13 TRP H H 13 6.996 6.996 7.441 -0.445 18325
5939 1 13 . 1 1 14 14 CYS N N 14 120.513 120.513 124.985 -4.472 18325
5940 1 13 . 1 1 14 14 CYS HA H 14 4.498 4.498 4.654 -0.156 18325
5941 1 13 . 1 1 14 14 CYS CA C 14 53.859 53.859 59.053 -5.194 18325
5942 1 13 . 1 1 14 14 CYS CB C 14 44.419 44.419 31.076 13.343 18325
5943 1 13 . 1 1 14 14 CYS H H 14 6.755 6.755 8.013 -1.258 18325
5944 1 13 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.372 0.005 18325
5945 1 13 . 1 1 16 16 TYR C C 16 177.495 177.495 177.675 -0.180 18325
5946 1 13 . 1 1 16 16 TYR CA C 16 60.662 60.662 58.577 2.086 18325
5947 1 13 . 1 1 16 16 TYR CB C 16 37.852 37.852 36.252 1.600 18325
5948 1 13 . 1 1 17 17 CYS N N 17 114.160 114.160 117.843 -3.683 18325
5949 1 13 . 1 1 17 17 CYS HA H 17 3.923 3.923 3.935 -0.012 18325
5950 1 13 . 1 1 17 17 CYS C C 17 174.680 174.680 176.843 -2.163 18325
5951 1 13 . 1 1 17 17 CYS CA C 17 65.302 65.302 62.508 2.794 18325
5952 1 13 . 1 1 17 17 CYS CB C 17 33.986 33.986 26.044 7.942 18325
5953 1 13 . 1 1 17 17 CYS H H 17 8.495 8.495 8.116 0.379 18325
5954 1 13 . 1 1 18 18 LEU N N 18 119.295 119.295 121.059 -1.764 18325
5955 1 13 . 1 1 18 18 LEU HA H 18 4.031 4.031 3.823 0.208 18325
5956 1 13 . 1 1 18 18 LEU C C 18 179.001 179.001 179.210 -0.209 18325
5957 1 13 . 1 1 18 18 LEU CA C 18 58.234 58.234 58.061 0.173 18325
5958 1 13 . 1 1 18 18 LEU CB C 18 41.205 41.205 41.180 0.025 18325
5959 1 13 . 1 1 18 18 LEU H H 18 7.311 7.311 7.642 -0.331 18325
5960 1 13 . 1 1 19 19 ARG N N 19 119.771 119.771 118.629 1.142 18325
5961 1 13 . 1 1 19 19 ARG HA H 19 3.998 3.998 3.990 0.008 18325
5962 1 13 . 1 1 19 19 ARG C C 19 178.949 178.949 179.194 -0.245 18325
5963 1 13 . 1 1 19 19 ARG CA C 19 59.597 59.597 59.462 0.135 18325
5964 1 13 . 1 1 19 19 ARG CB C 19 30.006 30.006 29.986 0.020 18325
5965 1 13 . 1 1 19 19 ARG H H 19 7.469 7.469 7.868 -0.399 18325
5966 1 13 . 1 1 20 20 LEU N N 20 120.802 120.802 120.536 0.266 18325
5967 1 13 . 1 1 20 20 LEU HA H 20 4.097 4.097 4.149 -0.052 18325
5968 1 13 . 1 1 20 20 LEU C C 20 177.928 177.928 177.643 0.285 18325
5969 1 13 . 1 1 20 20 LEU CA C 20 57.757 57.757 57.532 0.225 18325
5970 1 13 . 1 1 20 20 LEU CB C 20 40.940 40.940 41.873 -0.933 18325
5971 1 13 . 1 1 20 20 LEU H H 20 8.150 8.150 7.599 0.551 18325
5972 1 13 . 1 1 21 21 LYS N N 21 117.910 117.910 119.471 -1.561 18325
5973 1 13 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.650 -0.370 18325
5974 1 13 . 1 1 21 21 LYS C C 21 178.851 178.851 178.825 0.026 18325
5975 1 13 . 1 1 21 21 LYS CA C 21 61.353 61.353 60.058 1.295 18325
5976 1 13 . 1 1 21 21 LYS CB C 21 31.698 31.698 32.245 -0.547 18325
5977 1 13 . 1 1 21 21 LYS H H 21 7.854 7.854 8.465 -0.611 18325
5978 1 13 . 1 1 22 22 THR N N 22 115.451 115.451 114.000 1.451 18325
5979 1 13 . 1 1 22 22 THR HA H 22 3.889 3.889 4.143 -0.254 18325
5980 1 13 . 1 1 22 22 THR C C 22 176.571 176.571 175.850 0.721 18325
5981 1 13 . 1 1 22 22 THR CA C 22 66.849 66.849 65.651 1.198 18325
5982 1 13 . 1 1 22 22 THR CB C 22 68.793 68.793 68.622 0.171 18325
5983 1 13 . 1 1 22 22 THR H H 22 8.125 8.125 8.348 -0.223 18325
5984 1 13 . 1 1 23 23 ALA N N 23 125.218 125.218 124.419 0.799 18325
5985 1 13 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.131 0.143 18325
5986 1 13 . 1 1 23 23 ALA C C 23 180.948 180.948 179.545 1.403 18325
5987 1 13 . 1 1 23 23 ALA CA C 23 55.003 55.003 55.133 -0.131 18325
5988 1 13 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.054 0.788 18325
5989 1 13 . 1 1 23 23 ALA H H 23 7.892 7.892 7.410 0.482 18325
5990 1 13 . 1 1 24 24 LEU N N 24 120.007 120.007 117.984 2.023 18325
5991 1 13 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.944 0.074 18325
5992 1 13 . 1 1 24 24 LEU C C 24 179.738 179.738 179.361 0.377 18325
5993 1 13 . 1 1 24 24 LEU CA C 24 58.807 58.807 57.899 0.908 18325
5994 1 13 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.499 -1.685 18325
5995 1 13 . 1 1 24 24 LEU H H 24 8.775 8.775 8.681 0.094 18325
5996 1 13 . 1 1 25 25 THR N N 25 118.777 118.777 115.125 3.652 18325
5997 1 13 . 1 1 25 25 THR HA H 25 4.175 4.175 4.232 -0.057 18325
5998 1 13 . 1 1 25 25 THR C C 25 178.539 178.539 176.980 1.559 18325
5999 1 13 . 1 1 25 25 THR CA C 25 67.138 67.138 66.433 0.705 18325
6000 1 13 . 1 1 25 25 THR CB C 25 68.679 68.679 68.581 0.098 18325
6001 1 13 . 1 1 25 25 THR H H 25 8.636 8.636 8.011 0.625 18325
6002 1 13 . 1 1 26 26 ALA N N 26 126.122 126.122 124.487 1.635 18325
6003 1 13 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.276 -0.088 18325
6004 1 13 . 1 1 26 26 ALA C C 26 178.536 178.536 178.825 -0.289 18325
6005 1 13 . 1 1 26 26 ALA CA C 26 55.134 55.134 54.327 0.807 18325
6006 1 13 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.677 -0.790 18325
6007 1 13 . 1 1 26 26 ALA H H 26 8.357 8.357 7.903 0.454 18325
6008 1 13 . 1 1 27 27 ASN N N 27 114.755 114.755 116.132 -1.377 18325
6009 1 13 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.824 -0.127 18325
6010 1 13 . 1 1 27 27 ASN C C 27 172.751 172.751 174.362 -1.611 18325
6011 1 13 . 1 1 27 27 ASN CA C 27 53.712 53.712 52.410 1.302 18325
6012 1 13 . 1 1 27 27 ASN CB C 27 40.648 40.648 38.539 2.109 18325
6013 1 13 . 1 1 27 27 ASN H H 27 7.456 7.456 8.221 -0.765 18325
6014 1 13 . 1 1 28 28 ARG N N 28 115.444 115.444 118.471 -3.027 18325
6015 1 13 . 1 1 28 28 ARG HA H 28 3.934 3.934 3.932 0.002 18325
6016 1 13 . 1 1 28 28 ARG C C 28 175.075 175.075 173.516 1.559 18325
6017 1 13 . 1 1 28 28 ARG CA C 28 57.091 57.091 57.337 -0.247 18325
6018 1 13 . 1 1 28 28 ARG CB C 28 26.393 26.393 28.006 -1.613 18325
6019 1 13 . 1 1 28 28 ARG H H 28 8.183 8.183 7.452 0.731 18325
6020 1 13 . 1 1 29 29 ILE N N 29 120.976 120.976 119.920 1.056 18325
6021 1 13 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.385 -0.306 18325
6022 1 13 . 1 1 29 29 ILE C C 29 175.050 175.050 174.070 0.980 18325
6023 1 13 . 1 1 29 29 ILE CA C 29 60.664 60.664 59.887 0.777 18325
6024 1 13 . 1 1 29 29 ILE CB C 29 38.695 38.695 40.748 -2.054 18325
6025 1 13 . 1 1 29 29 ILE H H 29 8.004 8.004 8.455 -0.451 18325
6026 1 13 . 1 1 30 30 ALA N N 30 131.099 131.099 130.721 0.378 18325
6027 1 13 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.455 -0.287 18325
6028 1 13 . 1 1 30 30 ALA C C 30 176.360 176.360 175.512 0.848 18325
6029 1 13 . 1 1 30 30 ALA CA C 30 51.819 51.819 51.101 0.718 18325
6030 1 13 . 1 1 30 30 ALA CB C 30 19.641 19.641 20.086 -0.445 18325
6031 1 13 . 1 1 30 30 ALA H H 30 8.329 8.329 8.233 0.096 18325
6032 1 13 . 1 1 31 31 TYR N N 31 114.363 114.363 117.717 -3.354 18325
6033 1 13 . 1 1 31 31 TYR HA H 31 5.133 5.133 4.751 0.382 18325
6034 1 13 . 1 1 31 31 TYR C C 31 173.470 173.470 173.274 0.196 18325
6035 1 13 . 1 1 31 31 TYR CA C 31 55.522 55.522 55.632 -0.110 18325
6036 1 13 . 1 1 31 31 TYR CB C 31 41.184 41.184 40.545 0.639 18325
6037 1 13 . 1 1 31 31 TYR H H 31 7.509 7.509 7.760 -0.251 18325
6038 1 13 . 1 1 32 32 ASP N N 32 120.754 120.754 122.848 -2.094 18325
6039 1 13 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.917 0.009 18325
6040 1 13 . 1 1 32 32 ASP C C 32 174.611 174.611 175.187 -0.576 18325
6041 1 13 . 1 1 32 32 ASP CA C 32 52.875 52.875 53.600 -0.725 18325
6042 1 13 . 1 1 32 32 ASP CB C 32 42.843 42.843 43.819 -0.976 18325
6043 1 13 . 1 1 32 32 ASP H H 32 8.517 8.517 8.643 -0.126 18325
6044 1 13 . 1 1 33 33 GLU N N 33 124.650 124.650 120.915 3.735 18325
6045 1 13 . 1 1 33 33 GLU HA H 33 5.205 5.205 5.214 -0.009 18325
6046 1 13 . 1 1 33 33 GLU C C 33 175.049 175.049 175.988 -0.939 18325
6047 1 13 . 1 1 33 33 GLU CA C 33 54.489 54.489 54.772 -0.283 18325
6048 1 13 . 1 1 33 33 GLU CB C 33 32.425 32.425 31.527 0.898 18325
6049 1 13 . 1 1 33 33 GLU H H 33 8.836 8.836 8.517 0.319 18325
6050 1 13 . 1 1 34 34 VAL N N 34 128.112 128.112 122.460 5.652 18325
6051 1 13 . 1 1 34 34 VAL HA H 34 4.062 4.062 3.993 0.069 18325
6052 1 13 . 1 1 34 34 VAL C C 34 173.620 173.620 176.621 -3.001 18325
6053 1 13 . 1 1 34 34 VAL CA C 34 61.427 61.427 61.398 0.029 18325
6054 1 13 . 1 1 34 34 VAL CB C 34 34.690 34.690 32.783 1.907 18325
6055 1 13 . 1 1 34 34 VAL H H 34 8.615 8.615 8.403 0.212 18325
6056 1 13 . 1 1 35 35 ASP N N 35 127.319 127.319 123.215 4.104 18325
6057 1 13 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.509 0.428 18325
6058 1 13 . 1 1 35 35 ASP C C 35 179.260 179.260 178.150 1.110 18325
6059 1 13 . 1 1 35 35 ASP CA C 35 61.428 61.428 56.186 5.242 18325
6060 1 13 . 1 1 35 35 ASP CB C 35 41.858 41.858 40.521 1.337 18325
6061 1 13 . 1 1 35 35 ASP H H 35 8.458 8.458 8.774 -0.316 18325
6062 1 13 . 1 1 36 36 ILE N N 36 119.537 119.537 115.397 4.140 18325
6063 1 13 . 1 1 36 36 ILE HA H 36 4.360 4.360 4.081 0.279 18325
6064 1 13 . 1 1 36 36 ILE C C 36 176.943 176.943 176.963 -0.020 18325
6065 1 13 . 1 1 36 36 ILE CA C 36 63.681 63.681 63.639 0.042 18325
6066 1 13 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.363 0.274 18325
6067 1 13 . 1 1 36 36 ILE H H 36 8.833 8.833 7.961 0.872 18325
6068 1 13 . 1 1 37 37 GLU N N 37 122.074 122.074 119.382 2.692 18325
6069 1 13 . 1 1 37 37 GLU HA H 37 4.131 4.131 3.985 0.146 18325
6070 1 13 . 1 1 37 37 GLU C C 37 177.224 177.224 177.926 -0.702 18325
6071 1 13 . 1 1 37 37 GLU CA C 37 58.503 58.503 59.032 -0.529 18325
6072 1 13 . 1 1 37 37 GLU CB C 37 29.312 29.312 29.768 -0.456 18325
6073 1 13 . 1 1 37 37 GLU H H 37 8.815 8.815 8.440 0.375 18325
6074 1 13 . 1 1 38 38 HIS N N 38 114.611 114.611 117.260 -2.649 18325
6075 1 13 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.663 0.183 18325
6076 1 13 . 1 1 38 38 HIS C C 38 174.168 174.168 175.358 -1.190 18325
6077 1 13 . 1 1 38 38 HIS CA C 38 55.189 55.189 57.662 -2.473 18325
6078 1 13 . 1 1 38 38 HIS CB C 38 30.936 30.936 31.392 -0.456 18325
6079 1 13 . 1 1 38 38 HIS H H 38 7.661 7.661 8.260 -0.599 18325
6080 1 13 . 1 1 39 39 ASN N N 39 117.944 117.944 118.704 -0.760 18325
6081 1 13 . 1 1 39 39 ASN HA H 39 4.900 4.900 4.775 0.125 18325
6082 1 13 . 1 1 39 39 ASN C C 39 173.626 173.626 175.970 -2.344 18325
6083 1 13 . 1 1 39 39 ASN CA C 39 52.634 52.634 52.126 0.508 18325
6084 1 13 . 1 1 39 39 ASN CB C 39 39.436 39.436 38.889 0.547 18325
6085 1 13 . 1 1 39 39 ASN H H 39 7.095 7.095 8.256 -1.161 18325
6086 1 13 . 1 1 40 40 ARG N N 40 126.603 126.603 127.330 -0.727 18325
6087 1 13 . 1 1 40 40 ARG HA H 40 4.142 4.142 4.256 -0.114 18325
6088 1 13 . 1 1 40 40 ARG C C 40 178.292 178.292 177.044 1.248 18325
6089 1 13 . 1 1 40 40 ARG CA C 40 59.371 59.371 57.794 1.577 18325
6090 1 13 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.320 0.599 18325
6091 1 13 . 1 1 40 40 ARG H H 40 8.750 8.750 8.444 0.306 18325
6092 1 13 . 1 1 41 41 ALA N N 41 122.148 122.148 122.920 -0.772 18325
6093 1 13 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.195 0.007 18325
6094 1 13 . 1 1 41 41 ALA C C 41 181.236 181.236 179.134 2.102 18325
6095 1 13 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.515 0.561 18325
6096 1 13 . 1 1 41 41 ALA CB C 41 17.795 17.795 18.419 -0.624 18325
6097 1 13 . 1 1 41 41 ALA H H 41 8.460 8.460 8.241 0.219 18325
6098 1 13 . 1 1 42 42 ALA N N 42 122.394 122.394 119.709 2.685 18325
6099 1 13 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.208 0.016 18325
6100 1 13 . 1 1 42 42 ALA C C 42 178.949 178.949 179.081 -0.132 18325
6101 1 13 . 1 1 42 42 ALA CA C 42 54.423 54.423 54.038 0.385 18325
6102 1 13 . 1 1 42 42 ALA CB C 42 19.786 19.786 18.723 1.063 18325
6103 1 13 . 1 1 42 42 ALA H H 42 7.973 7.973 8.152 -0.179 18325
6104 1 13 . 1 1 43 43 ALA N N 43 120.965 120.965 121.138 -0.173 18325
6105 1 13 . 1 1 43 43 ALA HA H 43 3.788 3.788 4.089 -0.301 18325
6106 1 13 . 1 1 43 43 ALA C C 43 179.994 179.994 179.322 0.672 18325
6107 1 13 . 1 1 43 43 ALA CA C 43 56.189 56.189 54.823 1.366 18325
6108 1 13 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.269 -0.236 18325
6109 1 13 . 1 1 43 43 ALA H H 43 8.170 8.170 7.759 0.411 18325
6110 1 13 . 1 1 44 44 GLU N N 44 117.052 117.052 119.120 -2.068 18325
6111 1 13 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.081 -0.128 18325
6112 1 13 . 1 1 44 44 GLU C C 44 179.698 179.698 178.475 1.223 18325
6113 1 13 . 1 1 44 44 GLU CA C 44 58.934 58.934 58.808 0.126 18325
6114 1 13 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.421 -0.295 18325
6115 1 13 . 1 1 44 44 GLU H H 44 8.240 8.240 7.873 0.367 18325
6116 1 13 . 1 1 45 45 PHE N N 45 122.282 122.282 119.670 2.612 18325
6117 1 13 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.233 -0.001 18325
6118 1 13 . 1 1 45 45 PHE C C 45 177.994 177.994 176.863 1.131 18325
6119 1 13 . 1 1 45 45 PHE CA C 45 61.170 61.170 60.762 0.408 18325
6120 1 13 . 1 1 45 45 PHE CB C 45 38.225 38.225 38.965 -0.741 18325
6121 1 13 . 1 1 45 45 PHE H H 45 8.068 8.068 7.618 0.450 18325
6122 1 13 . 1 1 46 46 VAL N N 46 120.442 120.442 119.819 0.623 18325
6123 1 13 . 1 1 46 46 VAL HA H 46 2.908 2.908 3.125 -0.217 18325
6124 1 13 . 1 1 46 46 VAL C C 46 178.852 178.852 177.689 1.163 18325
6125 1 13 . 1 1 46 46 VAL CA C 46 67.186 67.186 66.845 0.341 18325
6126 1 13 . 1 1 46 46 VAL CB C 46 31.143 31.143 31.085 0.058 18325
6127 1 13 . 1 1 46 46 VAL H H 46 8.363 8.363 7.373 0.990 18325
6128 1 13 . 1 1 47 47 GLY N N 47 105.864 105.864 105.451 0.413 18325
6129 1 13 . 1 1 47 47 GLY C C 47 176.759 176.759 175.305 1.454 18325
6130 1 13 . 1 1 47 47 GLY CA C 47 46.690 46.690 46.956 -0.266 18325
6131 1 13 . 1 1 47 47 GLY H H 47 8.187 8.187 7.970 0.217 18325
6132 1 13 . 1 1 48 48 SER N N 48 118.796 118.796 115.526 3.270 18325
6133 1 13 . 1 1 48 48 SER HA H 48 4.201 4.201 4.316 -0.115 18325
6134 1 13 . 1 1 48 48 SER C C 48 176.571 176.571 175.957 0.614 18325
6135 1 13 . 1 1 48 48 SER CA C 48 61.440 61.440 60.300 1.140 18325
6136 1 13 . 1 1 48 48 SER CB C 48 62.661 62.661 63.493 -0.832 18325
6137 1 13 . 1 1 48 48 SER H H 48 8.045 8.045 7.352 0.693 18325
6138 1 13 . 1 1 49 49 VAL N N 49 114.967 114.967 119.510 -4.543 18325
6139 1 13 . 1 1 49 49 VAL HA H 49 4.356 4.356 3.860 0.496 18325
6140 1 13 . 1 1 49 49 VAL C C 49 175.807 175.807 175.678 0.129 18325
6141 1 13 . 1 1 49 49 VAL CA C 49 62.064 62.064 63.001 -0.937 18325
6142 1 13 . 1 1 49 49 VAL CB C 49 31.110 31.110 32.181 -1.071 18325
6143 1 13 . 1 1 49 49 VAL H H 49 7.040 7.040 7.633 -0.593 18325
6144 1 13 . 1 1 50 50 ASN N N 50 119.765 119.765 118.546 1.219 18325
6145 1 13 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.731 0.403 18325
6146 1 13 . 1 1 50 50 ASN C C 50 176.473 176.473 174.923 1.550 18325
6147 1 13 . 1 1 50 50 ASN CA C 50 53.454 53.454 52.347 1.107 18325
6148 1 13 . 1 1 50 50 ASN CB C 50 40.815 40.815 39.255 1.560 18325
6149 1 13 . 1 1 50 50 ASN H H 50 7.364 7.364 7.764 -0.400 18325
6150 1 13 . 1 1 51 51 GLY N N 51 110.407 110.407 107.749 2.658 18325
6151 1 13 . 1 1 51 51 GLY C C 51 174.967 174.967 174.728 0.239 18325
6152 1 13 . 1 1 51 51 GLY CA C 51 47.543 47.543 44.622 2.921 18325
6153 1 13 . 1 1 51 51 GLY H H 51 8.546 8.546 8.376 0.170 18325
6154 1 13 . 1 1 52 52 GLY N N 52 106.482 106.482 113.369 -6.887 18325
6155 1 13 . 1 1 52 52 GLY C C 52 174.134 174.134 174.657 -0.523 18325
6156 1 13 . 1 1 52 52 GLY CA C 52 44.424 44.424 45.818 -1.394 18325
6157 1 13 . 1 1 52 52 GLY H H 52 8.810 8.810 8.690 0.120 18325
6158 1 13 . 1 1 53 53 ASN N N 53 119.129 119.129 121.189 -2.060 18325
6159 1 13 . 1 1 53 53 ASN HA H 53 4.738 4.738 4.907 -0.169 18325
6160 1 13 . 1 1 53 53 ASN C C 53 174.828 174.828 174.432 0.396 18325
6161 1 13 . 1 1 53 53 ASN CA C 53 52.654 52.654 52.157 0.497 18325
6162 1 13 . 1 1 53 53 ASN CB C 53 40.237 40.237 39.370 0.868 18325
6163 1 13 . 1 1 53 53 ASN H H 53 7.330 7.330 8.310 -0.980 18325
6164 1 13 . 1 1 54 54 ARG N N 54 125.094 125.094 121.791 3.303 18325
6165 1 13 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.255 -0.121 18325
6166 1 13 . 1 1 54 54 ARG C C 54 174.863 174.863 175.447 -0.584 18325
6167 1 13 . 1 1 54 54 ARG CA C 54 55.132 55.132 55.664 -0.532 18325
6168 1 13 . 1 1 54 54 ARG CB C 54 27.409 27.409 29.306 -1.897 18325
6169 1 13 . 1 1 54 54 ARG H H 54 8.826 8.826 8.638 0.188 18325
6170 1 13 . 1 1 55 55 THR N N 55 117.920 117.920 120.866 -2.946 18325
6171 1 13 . 1 1 55 55 THR HA H 55 4.020 4.020 4.199 -0.179 18325
6172 1 13 . 1 1 55 55 THR C C 55 172.459 172.459 175.324 -2.865 18325
6173 1 13 . 1 1 55 55 THR CA C 55 63.451 63.451 64.475 -1.024 18325
6174 1 13 . 1 1 55 55 THR CB C 55 69.158 69.158 69.340 -0.182 18325
6175 1 13 . 1 1 55 55 THR H H 55 6.994 6.994 7.832 -0.838 18325
6176 1 13 . 1 1 56 56 VAL N N 56 117.300 117.300 123.013 -5.713 18325
6177 1 13 . 1 1 56 56 VAL HA H 56 4.735 4.735 4.146 0.589 18325
6178 1 13 . 1 1 56 56 VAL CA C 56 56.872 56.872 63.691 -6.819 18325
6179 1 13 . 1 1 56 56 VAL CB C 56 34.378 34.378 29.623 4.755 18325
6180 1 13 . 1 1 56 56 VAL H H 56 8.172 8.172 8.385 -0.213 18325
6181 1 13 . 1 1 57 57 PRO HA H 57 5.350 5.350 5.013 0.337 18325
6182 1 13 . 1 1 57 57 PRO C C 57 176.879 176.879 175.791 1.088 18325
6183 1 13 . 1 1 57 57 PRO CA C 57 62.246 62.246 62.443 -0.197 18325
6184 1 13 . 1 1 57 57 PRO CB C 57 34.293 34.293 29.855 4.438 18325
6185 1 13 . 1 1 58 58 THR N N 58 120.440 120.440 121.045 -0.605 18325
6186 1 13 . 1 1 58 58 THR HA H 58 5.042 5.042 4.932 0.110 18325
6187 1 13 . 1 1 58 58 THR C C 58 172.321 172.321 173.215 -0.894 18325
6188 1 13 . 1 1 58 58 THR CA C 58 63.449 63.449 61.455 1.994 18325
6189 1 13 . 1 1 58 58 THR CB C 58 71.892 71.892 70.360 1.532 18325
6190 1 13 . 1 1 58 58 THR H H 58 7.948 7.948 8.362 -0.414 18325
6191 1 13 . 1 1 59 59 VAL N N 59 126.444 126.444 127.122 -0.678 18325
6192 1 13 . 1 1 59 59 VAL HA H 59 5.095 5.095 4.795 0.300 18325
6193 1 13 . 1 1 59 59 VAL C C 59 173.176 173.176 173.308 -0.132 18325
6194 1 13 . 1 1 59 59 VAL CA C 59 60.133 60.133 59.660 0.473 18325
6195 1 13 . 1 1 59 59 VAL CB C 59 34.117 34.117 34.153 -0.036 18325
6196 1 13 . 1 1 59 59 VAL H H 59 9.428 9.428 9.090 0.338 18325
6197 1 13 . 1 1 60 60 LYS N N 60 126.183 126.183 128.270 -2.087 18325
6198 1 13 . 1 1 60 60 LYS HA H 60 5.379 5.379 4.996 0.383 18325
6199 1 13 . 1 1 60 60 LYS C C 60 175.404 175.404 175.004 0.400 18325
6200 1 13 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.812 -0.201 18325
6201 1 13 . 1 1 60 60 LYS CB C 60 37.601 37.601 35.058 2.543 18325
6202 1 13 . 1 1 60 60 LYS H H 60 9.214 9.214 8.831 0.383 18325
6203 1 13 . 1 1 61 61 PHE N N 61 126.709 126.709 123.629 3.080 18325
6204 1 13 . 1 1 61 61 PHE HA H 61 4.736 4.736 4.879 -0.143 18325
6205 1 13 . 1 1 61 61 PHE C C 61 178.102 178.102 177.227 0.875 18325
6206 1 13 . 1 1 61 61 PHE CA C 61 58.048 58.048 56.605 1.444 18325
6207 1 13 . 1 1 61 61 PHE CB C 61 41.221 41.221 41.320 -0.099 18325
6208 1 13 . 1 1 61 61 PHE H H 61 9.069 9.069 8.923 0.146 18325
6209 1 13 . 1 1 62 62 ALA N N 62 123.358 123.358 125.946 -2.588 18325
6210 1 13 . 1 1 62 62 ALA HA H 62 4.134 4.134 4.061 0.073 18325
6211 1 13 . 1 1 62 62 ALA C C 62 177.754 177.754 178.020 -0.266 18325
6212 1 13 . 1 1 62 62 ALA CA C 62 54.940 54.940 54.461 0.479 18325
6213 1 13 . 1 1 62 62 ALA CB C 62 19.243 19.243 18.300 0.943 18325
6214 1 13 . 1 1 62 62 ALA H H 62 9.728 9.728 8.721 1.007 18325
6215 1 13 . 1 1 63 63 ASP N N 63 113.412 113.412 118.356 -4.944 18325
6216 1 13 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.458 0.128 18325
6217 1 13 . 1 1 63 63 ASP C C 63 177.032 177.032 177.521 -0.489 18325
6218 1 13 . 1 1 63 63 ASP CA C 63 53.141 53.141 54.548 -1.407 18325
6219 1 13 . 1 1 63 63 ASP CB C 63 40.040 40.040 40.799 -0.759 18325
6220 1 13 . 1 1 63 63 ASP H H 63 7.675 7.675 8.090 -0.415 18325
6221 1 13 . 1 1 64 64 GLY N N 64 109.285 109.285 105.721 3.564 18325
6222 1 13 . 1 1 64 64 GLY C C 64 173.680 173.680 174.345 -0.665 18325
6223 1 13 . 1 1 64 64 GLY CA C 64 45.328 45.328 45.062 0.266 18325
6224 1 13 . 1 1 64 64 GLY H H 64 8.361 8.361 7.998 0.363 18325
6225 1 13 . 1 1 65 65 SER N N 65 117.733 117.733 115.326 2.407 18325
6226 1 13 . 1 1 65 65 SER HA H 65 4.567 4.567 5.043 -0.476 18325
6227 1 13 . 1 1 65 65 SER C C 65 173.595 173.595 172.927 0.668 18325
6228 1 13 . 1 1 65 65 SER CA C 65 58.964 58.964 56.525 2.439 18325
6229 1 13 . 1 1 65 65 SER CB C 65 64.637 64.637 64.404 0.232 18325
6230 1 13 . 1 1 65 65 SER H H 65 8.287 8.287 7.997 0.290 18325
6231 1 13 . 1 1 66 66 THR N N 66 106.725 106.725 117.042 -10.317 18325
6232 1 13 . 1 1 66 66 THR HA H 66 6.250 6.250 5.523 0.727 18325
6233 1 13 . 1 1 66 66 THR C C 66 175.730 175.730 173.939 1.791 18325
6234 1 13 . 1 1 66 66 THR CA C 66 59.494 59.494 60.692 -1.198 18325
6235 1 13 . 1 1 66 66 THR CB C 66 73.049 73.049 70.965 2.084 18325
6236 1 13 . 1 1 66 66 THR H H 66 8.221 8.221 8.226 -0.005 18325
6237 1 13 . 1 1 67 67 LEU N N 67 117.517 117.517 126.115 -8.598 18325
6238 1 13 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.705 0.163 18325
6239 1 13 . 1 1 67 67 LEU C C 67 176.030 176.030 175.965 0.065 18325
6240 1 13 . 1 1 67 67 LEU CA C 67 54.768 54.768 54.232 0.536 18325
6241 1 13 . 1 1 67 67 LEU CB C 67 47.406 47.406 44.644 2.762 18325
6242 1 13 . 1 1 67 67 LEU H H 67 8.763 8.763 9.267 -0.504 18325
6243 1 13 . 1 1 68 68 THR N N 68 120.988 120.988 120.882 0.106 18325
6244 1 13 . 1 1 68 68 THR HA H 68 4.616 4.616 4.692 -0.076 18325
6245 1 13 . 1 1 68 68 THR C C 68 173.201 173.201 174.449 -1.248 18325
6246 1 13 . 1 1 68 68 THR CA C 68 62.802 62.802 62.145 0.657 18325
6247 1 13 . 1 1 68 68 THR CB C 68 69.226 69.226 68.767 0.458 18325
6248 1 13 . 1 1 68 68 THR H H 68 9.226 9.226 8.738 0.488 18325
6249 1 13 . 1 1 69 69 ASN N N 69 122.679 122.679 122.605 0.074 18325
6250 1 13 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.500 -0.210 18325
6251 1 13 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.809 0.657 18325
6252 1 13 . 1 1 69 69 ASN CB C 69 38.731 38.731 37.528 1.203 18325
6253 1 13 . 1 1 69 69 ASN H H 69 9.097 9.097 8.333 0.764 18325
6254 1 13 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.695 0.174 18325
6255 1 13 . 1 1 70 70 PRO C C 70 177.239 177.239 175.653 1.586 18325
6256 1 13 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.328 0.729 18325
6257 1 13 . 1 1 70 70 PRO CB C 70 32.153 32.153 32.947 -0.794 18325
6258 1 13 . 1 1 71 71 SER N N 71 115.373 115.373 114.938 0.435 18325
6259 1 13 . 1 1 71 71 SER HA H 71 4.620 4.620 4.508 0.112 18325
6260 1 13 . 1 1 71 71 SER C C 71 175.966 175.966 175.930 0.036 18325
6261 1 13 . 1 1 71 71 SER CA C 71 56.624 56.624 57.142 -0.518 18325
6262 1 13 . 1 1 71 71 SER CB C 71 65.562 65.562 64.420 1.142 18325
6263 1 13 . 1 1 71 71 SER H H 71 8.932 8.932 8.139 0.793 18325
6264 1 13 . 1 1 72 72 ALA N N 72 124.008 124.008 126.247 -2.239 18325
6265 1 13 . 1 1 72 72 ALA HA H 72 3.763 3.763 4.027 -0.264 18325
6266 1 13 . 1 1 72 72 ALA C C 72 179.550 179.550 179.212 0.338 18325
6267 1 13 . 1 1 72 72 ALA CA C 72 55.970 55.970 55.498 0.472 18325
6268 1 13 . 1 1 72 72 ALA CB C 72 17.873 17.873 18.173 -0.300 18325
6269 1 13 . 1 1 72 72 ALA H H 72 9.235 9.235 8.858 0.377 18325
6270 1 13 . 1 1 73 73 ASP N N 73 116.584 116.584 118.613 -2.029 18325
6271 1 13 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.387 -0.057 18325
6272 1 13 . 1 1 73 73 ASP C C 73 179.219 179.219 178.565 0.654 18325
6273 1 13 . 1 1 73 73 ASP CA C 73 57.583 57.583 58.001 -0.418 18325
6274 1 13 . 1 1 73 73 ASP CB C 73 40.300 40.300 40.046 0.254 18325
6275 1 13 . 1 1 73 73 ASP H H 73 8.277 8.277 8.751 -0.474 18325
6276 1 13 . 1 1 74 74 GLU N N 74 122.057 122.057 118.976 3.081 18325
6277 1 13 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.104 -0.089 18325
6278 1 13 . 1 1 74 74 GLU C C 74 180.045 180.045 179.091 0.954 18325
6279 1 13 . 1 1 74 74 GLU CA C 74 59.199 59.199 59.285 -0.086 18325
6280 1 13 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.230 0.844 18325
6281 1 13 . 1 1 74 74 GLU H H 74 7.925 7.925 8.425 -0.500 18325
6282 1 13 . 1 1 75 75 VAL N N 75 120.141 120.141 120.422 -0.281 18325
6283 1 13 . 1 1 75 75 VAL HA H 75 3.681 3.681 3.947 -0.266 18325
6284 1 13 . 1 1 75 75 VAL C C 75 177.008 177.008 177.936 -0.928 18325
6285 1 13 . 1 1 75 75 VAL CA C 75 67.172 67.172 66.958 0.214 18325
6286 1 13 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.579 -0.342 18325
6287 1 13 . 1 1 75 75 VAL H H 75 7.885 7.885 8.011 -0.126 18325
6288 1 13 . 1 1 76 76 LYS N N 76 118.715 118.715 120.336 -1.621 18325
6289 1 13 . 1 1 76 76 LYS HA H 76 3.827 3.827 3.957 -0.130 18325
6290 1 13 . 1 1 76 76 LYS C C 76 178.105 178.105 178.760 -0.655 18325
6291 1 13 . 1 1 76 76 LYS CA C 76 60.397 60.397 60.224 0.173 18325
6292 1 13 . 1 1 76 76 LYS CB C 76 32.405 32.405 32.419 -0.014 18325
6293 1 13 . 1 1 76 76 LYS H H 76 8.298 8.298 8.319 -0.021 18325
6294 1 13 . 1 1 77 77 ALA N N 77 118.993 118.993 120.838 -1.845 18325
6295 1 13 . 1 1 77 77 ALA HA H 77 4.031 4.031 4.202 -0.171 18325
6296 1 13 . 1 1 77 77 ALA C C 77 180.450 180.450 179.914 0.536 18325
6297 1 13 . 1 1 77 77 ALA CA C 77 54.820 54.820 55.004 -0.184 18325
6298 1 13 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.374 -0.174 18325
6299 1 13 . 1 1 77 77 ALA H H 77 7.985 7.985 8.178 -0.193 18325
6300 1 13 . 1 1 78 78 LYS N N 78 119.952 119.952 118.741 1.211 18325
6301 1 13 . 1 1 78 78 LYS HA H 78 3.975 3.975 3.983 -0.008 18325
6302 1 13 . 1 1 78 78 LYS C C 78 177.949 177.949 178.701 -0.752 18325
6303 1 13 . 1 1 78 78 LYS CA C 78 58.079 58.079 58.328 -0.249 18325
6304 1 13 . 1 1 78 78 LYS CB C 78 31.342 31.342 31.683 -0.341 18325
6305 1 13 . 1 1 78 78 LYS H H 78 7.480 7.480 7.832 -0.352 18325
6306 1 13 . 1 1 79 79 LEU N N 79 118.729 118.729 121.362 -2.633 18325
6307 1 13 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.276 -0.240 18325
6308 1 13 . 1 1 79 79 LEU C C 79 180.234 180.234 178.283 1.951 18325
6309 1 13 . 1 1 79 79 LEU CA C 79 58.096 58.096 58.415 -0.319 18325
6310 1 13 . 1 1 79 79 LEU CB C 79 41.776 41.776 42.163 -0.387 18325
6311 1 13 . 1 1 79 79 LEU H H 79 8.075 8.075 8.228 -0.153 18325
6312 1 13 . 1 1 80 80 VAL N N 80 118.567 118.567 113.704 4.863 18325
6313 1 13 . 1 1 80 80 VAL HA H 80 3.733 3.733 3.863 -0.130 18325
6314 1 13 . 1 1 80 80 VAL C C 80 178.390 178.390 177.680 0.710 18325
6315 1 13 . 1 1 80 80 VAL CA C 80 65.895 65.895 65.640 0.255 18325
6316 1 13 . 1 1 80 80 VAL CB C 80 31.961 31.961 31.553 0.408 18325
6317 1 13 . 1 1 80 80 VAL H H 80 7.867 7.867 8.090 -0.223 18325
6318 1 13 . 1 1 81 81 LYS N N 81 121.106 121.106 120.021 1.085 18325
6319 1 13 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.179 -0.087 18325
6320 1 13 . 1 1 81 81 LYS C C 81 179.434 179.434 178.219 1.215 18325
6321 1 13 . 1 1 81 81 LYS CA C 81 58.943 58.943 58.406 0.537 18325
6322 1 13 . 1 1 81 81 LYS CB C 81 32.497 32.497 31.995 0.502 18325
6323 1 13 . 1 1 81 81 LYS H H 81 7.565 7.565 7.611 -0.046 18325
6324 1 13 . 1 1 82 82 ILE N N 82 117.365 117.365 115.854 1.511 18325
6325 1 13 . 1 1 82 82 ILE HA H 82 3.953 3.953 4.221 -0.268 18325
6326 1 13 . 1 1 82 82 ILE C C 82 177.482 177.482 177.239 0.243 18325
6327 1 13 . 1 1 82 82 ILE CA C 82 63.598 63.598 62.408 1.190 18325
6328 1 13 . 1 1 82 82 ILE CB C 82 38.372 38.372 38.120 0.252 18325
6329 1 13 . 1 1 82 82 ILE H H 82 8.124 8.124 7.605 0.519 18325
6330 1 13 . 1 1 83 83 ALA N N 83 123.334 123.334 121.350 1.984 18325
6331 1 13 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.419 -0.140 18325
6332 1 13 . 1 1 83 83 ALA C C 83 179.104 179.104 178.607 0.497 18325
6333 1 13 . 1 1 83 83 ALA CA C 83 53.851 53.851 53.414 0.437 18325
6334 1 13 . 1 1 83 83 ALA CB C 83 18.769 18.769 20.113 -1.344 18325
6335 1 13 . 1 1 83 83 ALA H H 83 7.867 7.867 8.431 -0.564 18325
6336 1 13 . 1 1 84 84 GLY N N 84 105.962 105.962 106.500 -0.538 18325
6337 1 13 . 1 1 84 84 GLY C C 84 174.779 174.779 175.064 -0.285 18325
6338 1 13 . 1 1 84 84 GLY CA C 84 45.847 45.847 45.194 0.653 18325
6339 1 13 . 1 1 84 84 GLY H H 84 8.019 8.019 7.931 0.088 18325
6340 1 13 . 1 1 85 85 LEU N N 85 120.702 120.702 124.773 -4.071 18325
6341 1 13 . 1 1 85 85 LEU HA H 85 4.275 4.275 4.428 -0.153 18325
6342 1 13 . 1 1 85 85 LEU C C 85 177.609 177.609 176.457 1.152 18325
6343 1 13 . 1 1 85 85 LEU CA C 85 55.511 55.511 56.551 -1.040 18325
6344 1 13 . 1 1 85 85 LEU CB C 85 42.449 42.449 42.169 0.280 18325
6345 1 13 . 1 1 85 85 LEU H H 85 7.727 7.727 8.442 -0.715 18325
6346 1 13 . 1 1 86 86 GLU N N 86 120.386 120.386 119.054 1.332 18325
6347 1 13 . 1 1 86 86 GLU HA H 86 4.154 4.154 4.085 0.069 18325
6348 1 13 . 1 1 86 86 GLU C C 86 176.359 176.359 175.801 0.558 18325
6349 1 13 . 1 1 86 86 GLU CA C 86 56.941 56.941 55.369 1.572 18325
6350 1 13 . 1 1 86 86 GLU CB C 86 30.180 30.180 28.096 2.084 18325
6351 1 13 . 1 1 86 86 GLU H H 86 8.238 8.238 8.256 -0.018 18325
6352 1 13 . 1 1 87 87 HIS N N 87 119.393 119.393 122.327 -2.934 18325
6353 1 13 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.887 -0.297 18325
6354 1 13 . 1 1 87 87 HIS C C 87 174.000 174.000 174.230 -0.230 18325
6355 1 13 . 1 1 87 87 HIS CA C 87 56.146 56.146 54.424 1.722 18325
6356 1 13 . 1 1 87 87 HIS CB C 87 30.335 30.335 30.874 -0.539 18325
6357 1 13 . 1 1 87 87 HIS H H 87 8.177 8.177 7.667 0.510 18325
6358 1 14 . 1 1 2 2 VAL HA H 2 4.195 4.195 4.253 -0.058 18325
6359 1 14 . 1 1 2 2 VAL C C 2 175.805 175.805 175.540 0.265 18325
6360 1 14 . 1 1 2 2 VAL CA C 2 62.388 62.388 62.651 -0.263 18325
6361 1 14 . 1 1 2 2 VAL CB C 2 32.777 32.777 32.386 0.391 18325
6362 1 14 . 1 1 3 3 THR N N 3 119.229 119.229 115.162 4.067 18325
6363 1 14 . 1 1 3 3 THR HA H 3 4.259 4.259 4.231 0.028 18325
6364 1 14 . 1 1 3 3 THR C C 3 173.761 173.761 174.162 -0.401 18325
6365 1 14 . 1 1 3 3 THR CA C 3 61.673 61.673 61.658 0.015 18325
6366 1 14 . 1 1 3 3 THR CB C 3 69.846 69.846 69.020 0.826 18325
6367 1 14 . 1 1 3 3 THR H H 3 8.256 8.256 7.603 0.653 18325
6368 1 14 . 1 1 4 4 ALA N N 4 126.635 126.635 129.038 -2.403 18325
6369 1 14 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.352 -0.198 18325
6370 1 14 . 1 1 4 4 ALA C C 4 177.002 177.002 176.569 0.433 18325
6371 1 14 . 1 1 4 4 ALA CA C 4 52.159 52.159 51.728 0.431 18325
6372 1 14 . 1 1 4 4 ALA CB C 4 19.512 19.512 19.242 0.269 18325
6373 1 14 . 1 1 4 4 ALA H H 4 8.367 8.367 8.467 -0.100 18325
6374 1 14 . 1 1 5 5 ALA N N 5 123.621 123.621 126.673 -3.052 18325
6375 1 14 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.374 -0.107 18325
6376 1 14 . 1 1 5 5 ALA C C 5 176.288 176.288 176.830 -0.542 18325
6377 1 14 . 1 1 5 5 ALA CA C 5 52.894 52.894 53.704 -0.810 18325
6378 1 14 . 1 1 5 5 ALA CB C 5 19.494 19.494 19.570 -0.076 18325
6379 1 14 . 1 1 5 5 ALA H H 5 8.374 8.374 8.532 -0.158 18325
6380 1 14 . 1 1 6 6 LEU N N 6 115.731 115.731 117.117 -1.386 18325
6381 1 14 . 1 1 6 6 LEU HA H 6 4.648 4.648 4.783 -0.135 18325
6382 1 14 . 1 1 6 6 LEU C C 6 175.007 175.007 175.394 -0.387 18325
6383 1 14 . 1 1 6 6 LEU CA C 6 54.263 54.263 52.856 1.407 18325
6384 1 14 . 1 1 6 6 LEU CB C 6 44.224 44.224 43.739 0.485 18325
6385 1 14 . 1 1 6 6 LEU H H 6 7.478 7.478 7.668 -0.190 18325
6386 1 14 . 1 1 7 7 THR N N 7 119.383 119.383 121.381 -1.998 18325
6387 1 14 . 1 1 7 7 THR HA H 7 4.906 4.906 4.676 0.230 18325
6388 1 14 . 1 1 7 7 THR C C 7 172.657 172.657 173.732 -1.075 18325
6389 1 14 . 1 1 7 7 THR CA C 7 61.586 61.586 62.599 -1.013 18325
6390 1 14 . 1 1 7 7 THR CB C 7 70.917 70.917 68.717 2.200 18325
6391 1 14 . 1 1 7 7 THR H H 7 8.342 8.342 8.904 -0.562 18325
6392 1 14 . 1 1 8 8 ILE N N 8 124.711 124.711 127.037 -2.326 18325
6393 1 14 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.773 -0.198 18325
6394 1 14 . 1 1 8 8 ILE C C 8 172.650 172.650 174.585 -1.935 18325
6395 1 14 . 1 1 8 8 ILE CA C 8 59.206 59.206 59.750 -0.544 18325
6396 1 14 . 1 1 8 8 ILE CB C 8 40.150 40.150 40.720 -0.570 18325
6397 1 14 . 1 1 8 8 ILE H H 8 9.050 9.050 9.138 -0.088 18325
6398 1 14 . 1 1 9 9 TYR N N 9 128.517 128.517 127.816 0.701 18325
6399 1 14 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.699 0.726 18325
6400 1 14 . 1 1 9 9 TYR C C 9 176.445 176.445 174.673 1.772 18325
6401 1 14 . 1 1 9 9 TYR CA C 9 57.397 57.397 58.266 -0.869 18325
6402 1 14 . 1 1 9 9 TYR CB C 9 39.232 39.232 38.528 0.704 18325
6403 1 14 . 1 1 9 9 TYR H H 9 9.094 9.094 8.685 0.409 18325
6404 1 14 . 1 1 10 10 THR N N 10 112.214 112.214 114.572 -2.358 18325
6405 1 14 . 1 1 10 10 THR HA H 10 4.778 4.778 4.584 0.194 18325
6406 1 14 . 1 1 10 10 THR C C 10 173.410 173.410 172.816 0.594 18325
6407 1 14 . 1 1 10 10 THR CA C 10 59.893 59.893 59.260 0.633 18325
6408 1 14 . 1 1 10 10 THR CB C 10 72.063 72.063 72.060 0.003 18325
6409 1 14 . 1 1 10 10 THR H H 10 8.824 8.824 8.373 0.451 18325
6410 1 14 . 1 1 11 11 THR N N 11 103.866 103.866 110.284 -6.418 18325
6411 1 14 . 1 1 11 11 THR HA H 11 4.585 4.585 4.249 0.336 18325
6412 1 14 . 1 1 11 11 THR C C 11 176.335 176.335 173.799 2.536 18325
6413 1 14 . 1 1 11 11 THR CA C 11 60.389 60.389 60.367 0.022 18325
6414 1 14 . 1 1 11 11 THR CB C 11 72.584 72.584 70.682 1.902 18325
6415 1 14 . 1 1 11 11 THR H H 11 6.667 6.667 7.759 -1.092 18325
6416 1 14 . 1 1 12 12 SER N N 12 116.991 116.991 115.408 1.583 18325
6417 1 14 . 1 1 12 12 SER HA H 12 4.134 4.134 4.440 -0.306 18325
6418 1 14 . 1 1 12 12 SER C C 12 174.863 174.863 175.501 -0.638 18325
6419 1 14 . 1 1 12 12 SER CA C 12 61.183 61.183 59.752 1.431 18325
6420 1 14 . 1 1 12 12 SER CB C 12 62.845 62.845 63.383 -0.538 18325
6421 1 14 . 1 1 12 12 SER H H 12 9.561 9.561 8.926 0.635 18325
6422 1 14 . 1 1 13 13 TRP N N 13 117.675 117.675 121.559 -3.884 18325
6423 1 14 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.728 0.047 18325
6424 1 14 . 1 1 13 13 TRP C C 13 175.144 175.144 175.164 -0.020 18325
6425 1 14 . 1 1 13 13 TRP CA C 13 54.555 54.555 54.297 0.258 18325
6426 1 14 . 1 1 13 13 TRP CB C 13 28.292 28.292 26.750 1.542 18325
6427 1 14 . 1 1 13 13 TRP H H 13 6.996 6.996 7.457 -0.461 18325
6428 1 14 . 1 1 14 14 CYS N N 14 120.513 120.513 119.228 1.285 18325
6429 1 14 . 1 1 14 14 CYS HA H 14 4.498 4.498 4.766 -0.268 18325
6430 1 14 . 1 1 14 14 CYS CA C 14 53.859 53.859 58.020 -4.161 18325
6431 1 14 . 1 1 14 14 CYS CB C 14 44.419 44.419 28.445 15.974 18325
6432 1 14 . 1 1 14 14 CYS H H 14 6.755 6.755 7.826 -1.071 18325
6433 1 14 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.412 -0.035 18325
6434 1 14 . 1 1 16 16 TYR C C 16 177.495 177.495 177.171 0.324 18325
6435 1 14 . 1 1 16 16 TYR CA C 16 60.662 60.662 59.126 1.536 18325
6436 1 14 . 1 1 16 16 TYR CB C 16 37.852 37.852 36.731 1.121 18325
6437 1 14 . 1 1 17 17 CYS N N 17 114.160 114.160 116.031 -1.871 18325
6438 1 14 . 1 1 17 17 CYS HA H 17 3.923 3.923 4.127 -0.204 18325
6439 1 14 . 1 1 17 17 CYS C C 17 174.680 174.680 176.677 -1.997 18325
6440 1 14 . 1 1 17 17 CYS CA C 17 65.302 65.302 59.665 5.637 18325
6441 1 14 . 1 1 17 17 CYS CB C 17 33.986 33.986 26.110 7.876 18325
6442 1 14 . 1 1 17 17 CYS H H 17 8.495 8.495 7.665 0.830 18325
6443 1 14 . 1 1 18 18 LEU N N 18 119.295 119.295 122.479 -3.184 18325
6444 1 14 . 1 1 18 18 LEU HA H 18 4.031 4.031 3.935 0.096 18325
6445 1 14 . 1 1 18 18 LEU C C 18 179.001 179.001 179.259 -0.258 18325
6446 1 14 . 1 1 18 18 LEU CA C 18 58.234 58.234 57.552 0.682 18325
6447 1 14 . 1 1 18 18 LEU CB C 18 41.205 41.205 41.050 0.155 18325
6448 1 14 . 1 1 18 18 LEU H H 18 7.311 7.311 7.826 -0.515 18325
6449 1 14 . 1 1 19 19 ARG N N 19 119.771 119.771 119.920 -0.149 18325
6450 1 14 . 1 1 19 19 ARG HA H 19 3.998 3.998 3.962 0.036 18325
6451 1 14 . 1 1 19 19 ARG C C 19 178.949 178.949 178.524 0.425 18325
6452 1 14 . 1 1 19 19 ARG CA C 19 59.597 59.597 59.744 -0.147 18325
6453 1 14 . 1 1 19 19 ARG CB C 19 30.006 30.006 30.181 -0.175 18325
6454 1 14 . 1 1 19 19 ARG H H 19 7.469 7.469 7.547 -0.078 18325
6455 1 14 . 1 1 20 20 LEU N N 20 120.802 120.802 118.510 2.292 18325
6456 1 14 . 1 1 20 20 LEU HA H 20 4.097 4.097 4.155 -0.058 18325
6457 1 14 . 1 1 20 20 LEU C C 20 177.928 177.928 177.899 0.029 18325
6458 1 14 . 1 1 20 20 LEU CA C 20 57.757 57.757 57.689 0.068 18325
6459 1 14 . 1 1 20 20 LEU CB C 20 40.940 40.940 41.874 -0.934 18325
6460 1 14 . 1 1 20 20 LEU H H 20 8.150 8.150 7.500 0.650 18325
6461 1 14 . 1 1 21 21 LYS N N 21 117.910 117.910 117.969 -0.059 18325
6462 1 14 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.777 -0.497 18325
6463 1 14 . 1 1 21 21 LYS C C 21 178.851 178.851 178.748 0.103 18325
6464 1 14 . 1 1 21 21 LYS CA C 21 61.353 61.353 59.212 2.141 18325
6465 1 14 . 1 1 21 21 LYS CB C 21 31.698 31.698 31.740 -0.042 18325
6466 1 14 . 1 1 21 21 LYS H H 21 7.854 7.854 8.311 -0.457 18325
6467 1 14 . 1 1 22 22 THR N N 22 115.451 115.451 112.924 2.527 18325
6468 1 14 . 1 1 22 22 THR HA H 22 3.889 3.889 4.289 -0.400 18325
6469 1 14 . 1 1 22 22 THR C C 22 176.571 176.571 176.227 0.344 18325
6470 1 14 . 1 1 22 22 THR CA C 22 66.849 66.849 65.168 1.681 18325
6471 1 14 . 1 1 22 22 THR CB C 22 68.793 68.793 68.243 0.550 18325
6472 1 14 . 1 1 22 22 THR H H 22 8.125 8.125 8.352 -0.227 18325
6473 1 14 . 1 1 23 23 ALA N N 23 125.218 125.218 124.633 0.585 18325
6474 1 14 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.161 0.113 18325
6475 1 14 . 1 1 23 23 ALA C C 23 180.948 180.948 179.535 1.413 18325
6476 1 14 . 1 1 23 23 ALA CA C 23 55.003 55.003 54.875 0.128 18325
6477 1 14 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.148 0.694 18325
6478 1 14 . 1 1 23 23 ALA H H 23 7.892 7.892 7.468 0.424 18325
6479 1 14 . 1 1 24 24 LEU N N 24 120.007 120.007 118.446 1.561 18325
6480 1 14 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.950 0.068 18325
6481 1 14 . 1 1 24 24 LEU C C 24 179.738 179.738 179.424 0.314 18325
6482 1 14 . 1 1 24 24 LEU CA C 24 58.807 58.807 57.931 0.876 18325
6483 1 14 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.566 -1.752 18325
6484 1 14 . 1 1 24 24 LEU H H 24 8.775 8.775 8.242 0.532 18325
6485 1 14 . 1 1 25 25 THR N N 25 118.777 118.777 116.172 2.605 18325
6486 1 14 . 1 1 25 25 THR HA H 25 4.175 4.175 4.105 0.070 18325
6487 1 14 . 1 1 25 25 THR C C 25 178.539 178.539 177.164 1.375 18325
6488 1 14 . 1 1 25 25 THR CA C 25 67.138 67.138 66.849 0.289 18325
6489 1 14 . 1 1 25 25 THR CB C 25 68.679 68.679 68.528 0.151 18325
6490 1 14 . 1 1 25 25 THR H H 25 8.636 8.636 8.395 0.241 18325
6491 1 14 . 1 1 26 26 ALA N N 26 126.122 126.122 123.315 2.807 18325
6492 1 14 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.225 -0.037 18325
6493 1 14 . 1 1 26 26 ALA C C 26 178.536 178.536 178.556 -0.020 18325
6494 1 14 . 1 1 26 26 ALA CA C 26 55.134 55.134 54.614 0.520 18325
6495 1 14 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.118 -0.231 18325
6496 1 14 . 1 1 26 26 ALA H H 26 8.357 8.357 8.265 0.092 18325
6497 1 14 . 1 1 27 27 ASN N N 27 114.755 114.755 114.455 0.300 18325
6498 1 14 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.809 -0.112 18325
6499 1 14 . 1 1 27 27 ASN C C 27 172.751 172.751 174.719 -1.968 18325
6500 1 14 . 1 1 27 27 ASN CA C 27 53.712 53.712 52.959 0.753 18325
6501 1 14 . 1 1 27 27 ASN CB C 27 40.648 40.648 39.511 1.137 18325
6502 1 14 . 1 1 27 27 ASN H H 27 7.456 7.456 7.512 -0.056 18325
6503 1 14 . 1 1 28 28 ARG N N 28 115.444 115.444 115.483 -0.039 18325
6504 1 14 . 1 1 28 28 ARG HA H 28 3.934 3.934 4.013 -0.079 18325
6505 1 14 . 1 1 28 28 ARG C C 28 175.075 175.075 175.124 -0.049 18325
6506 1 14 . 1 1 28 28 ARG CA C 28 57.091 57.091 56.711 0.380 18325
6507 1 14 . 1 1 28 28 ARG CB C 28 26.393 26.393 27.092 -0.699 18325
6508 1 14 . 1 1 28 28 ARG H H 28 8.183 8.183 8.023 0.160 18325
6509 1 14 . 1 1 29 29 ILE N N 29 120.976 120.976 120.785 0.191 18325
6510 1 14 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.157 -0.078 18325
6511 1 14 . 1 1 29 29 ILE C C 29 175.050 175.050 174.811 0.239 18325
6512 1 14 . 1 1 29 29 ILE CA C 29 60.664 60.664 61.457 -0.793 18325
6513 1 14 . 1 1 29 29 ILE CB C 29 38.695 38.695 38.195 0.500 18325
6514 1 14 . 1 1 29 29 ILE H H 29 8.004 8.004 8.252 -0.248 18325
6515 1 14 . 1 1 30 30 ALA N N 30 131.099 131.099 131.400 -0.301 18325
6516 1 14 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.506 -0.338 18325
6517 1 14 . 1 1 30 30 ALA C C 30 176.360 176.360 175.664 0.696 18325
6518 1 14 . 1 1 30 30 ALA CA C 30 51.819 51.819 51.733 0.086 18325
6519 1 14 . 1 1 30 30 ALA CB C 30 19.641 19.641 19.800 -0.159 18325
6520 1 14 . 1 1 30 30 ALA H H 30 8.329 8.329 8.575 -0.246 18325
6521 1 14 . 1 1 31 31 TYR N N 31 114.363 114.363 119.010 -4.647 18325
6522 1 14 . 1 1 31 31 TYR HA H 31 5.133 5.133 5.083 0.050 18325
6523 1 14 . 1 1 31 31 TYR C C 31 173.470 173.470 173.470 0.000 18325
6524 1 14 . 1 1 31 31 TYR CA C 31 55.522 55.522 55.129 0.393 18325
6525 1 14 . 1 1 31 31 TYR CB C 31 41.184 41.184 40.569 0.615 18325
6526 1 14 . 1 1 31 31 TYR H H 31 7.509 7.509 7.825 -0.316 18325
6527 1 14 . 1 1 32 32 ASP N N 32 120.754 120.754 119.466 1.288 18325
6528 1 14 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.886 0.040 18325
6529 1 14 . 1 1 32 32 ASP C C 32 174.611 174.611 174.063 0.548 18325
6530 1 14 . 1 1 32 32 ASP CA C 32 52.875 52.875 52.450 0.424 18325
6531 1 14 . 1 1 32 32 ASP CB C 32 42.843 42.843 44.298 -1.456 18325
6532 1 14 . 1 1 32 32 ASP H H 32 8.517 8.517 8.821 -0.304 18325
6533 1 14 . 1 1 33 33 GLU N N 33 124.650 124.650 122.510 2.140 18325
6534 1 14 . 1 1 33 33 GLU HA H 33 5.205 5.205 5.378 -0.173 18325
6535 1 14 . 1 1 33 33 GLU C C 33 175.049 175.049 176.148 -1.099 18325
6536 1 14 . 1 1 33 33 GLU CA C 33 54.489 54.489 54.703 -0.214 18325
6537 1 14 . 1 1 33 33 GLU CB C 33 32.425 32.425 31.752 0.673 18325
6538 1 14 . 1 1 33 33 GLU H H 33 8.836 8.836 8.389 0.447 18325
6539 1 14 . 1 1 34 34 VAL N N 34 128.112 128.112 124.200 3.912 18325
6540 1 14 . 1 1 34 34 VAL HA H 34 4.062 4.062 3.984 0.078 18325
6541 1 14 . 1 1 34 34 VAL C C 34 173.620 173.620 177.272 -3.652 18325
6542 1 14 . 1 1 34 34 VAL CA C 34 61.427 61.427 62.043 -0.616 18325
6543 1 14 . 1 1 34 34 VAL CB C 34 34.690 34.690 32.631 2.059 18325
6544 1 14 . 1 1 34 34 VAL H H 34 8.615 8.615 8.408 0.207 18325
6545 1 14 . 1 1 35 35 ASP N N 35 127.319 127.319 125.161 2.158 18325
6546 1 14 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.370 0.567 18325
6547 1 14 . 1 1 35 35 ASP C C 35 179.260 179.260 178.065 1.195 18325
6548 1 14 . 1 1 35 35 ASP CA C 35 61.428 61.428 56.846 4.582 18325
6549 1 14 . 1 1 35 35 ASP CB C 35 41.858 41.858 40.610 1.248 18325
6550 1 14 . 1 1 35 35 ASP H H 35 8.458 8.458 8.857 -0.399 18325
6551 1 14 . 1 1 36 36 ILE N N 36 119.537 119.537 115.545 3.992 18325
6552 1 14 . 1 1 36 36 ILE HA H 36 4.360 4.360 4.010 0.350 18325
6553 1 14 . 1 1 36 36 ILE C C 36 176.943 176.943 176.946 -0.003 18325
6554 1 14 . 1 1 36 36 ILE CA C 36 63.681 63.681 63.814 -0.133 18325
6555 1 14 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.204 0.433 18325
6556 1 14 . 1 1 36 36 ILE H H 36 8.833 8.833 7.872 0.961 18325
6557 1 14 . 1 1 37 37 GLU N N 37 122.074 122.074 118.988 3.086 18325
6558 1 14 . 1 1 37 37 GLU HA H 37 4.131 4.131 3.895 0.236 18325
6559 1 14 . 1 1 37 37 GLU C C 37 177.224 177.224 177.938 -0.714 18325
6560 1 14 . 1 1 37 37 GLU CA C 37 58.503 58.503 58.396 0.107 18325
6561 1 14 . 1 1 37 37 GLU CB C 37 29.312 29.312 29.436 -0.124 18325
6562 1 14 . 1 1 37 37 GLU H H 37 8.815 8.815 8.362 0.453 18325
6563 1 14 . 1 1 38 38 HIS N N 38 114.611 114.611 114.405 0.206 18325
6564 1 14 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.690 0.156 18325
6565 1 14 . 1 1 38 38 HIS C C 38 174.168 174.168 175.023 -0.855 18325
6566 1 14 . 1 1 38 38 HIS CA C 38 55.189 55.189 57.494 -2.305 18325
6567 1 14 . 1 1 38 38 HIS CB C 38 30.936 30.936 31.564 -0.628 18325
6568 1 14 . 1 1 38 38 HIS H H 38 7.661 7.661 8.330 -0.669 18325
6569 1 14 . 1 1 39 39 ASN N N 39 117.944 117.944 118.048 -0.104 18325
6570 1 14 . 1 1 39 39 ASN HA H 39 4.900 4.900 4.999 -0.099 18325
6571 1 14 . 1 1 39 39 ASN C C 39 173.626 173.626 175.855 -2.229 18325
6572 1 14 . 1 1 39 39 ASN CA C 39 52.634 52.634 52.176 0.458 18325
6573 1 14 . 1 1 39 39 ASN CB C 39 39.436 39.436 40.099 -0.663 18325
6574 1 14 . 1 1 39 39 ASN H H 39 7.095 7.095 7.918 -0.823 18325
6575 1 14 . 1 1 40 40 ARG N N 40 126.603 126.603 124.181 2.422 18325
6576 1 14 . 1 1 40 40 ARG HA H 40 4.142 4.142 4.368 -0.226 18325
6577 1 14 . 1 1 40 40 ARG C C 40 178.292 178.292 177.005 1.287 18325
6578 1 14 . 1 1 40 40 ARG CA C 40 59.371 59.371 58.344 1.027 18325
6579 1 14 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.271 0.648 18325
6580 1 14 . 1 1 40 40 ARG H H 40 8.750 8.750 8.970 -0.220 18325
6581 1 14 . 1 1 41 41 ALA N N 41 122.148 122.148 123.192 -1.044 18325
6582 1 14 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.155 0.047 18325
6583 1 14 . 1 1 41 41 ALA C C 41 181.236 181.236 179.642 1.594 18325
6584 1 14 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.947 0.129 18325
6585 1 14 . 1 1 41 41 ALA CB C 41 17.795 17.795 17.895 -0.100 18325
6586 1 14 . 1 1 41 41 ALA H H 41 8.460 8.460 8.393 0.067 18325
6587 1 14 . 1 1 42 42 ALA N N 42 122.394 122.394 119.637 2.757 18325
6588 1 14 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.148 0.076 18325
6589 1 14 . 1 1 42 42 ALA C C 42 178.949 178.949 179.004 -0.055 18325
6590 1 14 . 1 1 42 42 ALA CA C 42 54.423 54.423 54.011 0.412 18325
6591 1 14 . 1 1 42 42 ALA CB C 42 19.786 19.786 18.346 1.440 18325
6592 1 14 . 1 1 42 42 ALA H H 42 7.973 7.973 8.359 -0.386 18325
6593 1 14 . 1 1 43 43 ALA N N 43 120.965 120.965 121.432 -0.467 18325
6594 1 14 . 1 1 43 43 ALA HA H 43 3.788 3.788 4.209 -0.421 18325
6595 1 14 . 1 1 43 43 ALA C C 43 179.994 179.994 180.282 -0.288 18325
6596 1 14 . 1 1 43 43 ALA CA C 43 56.189 56.189 54.973 1.216 18325
6597 1 14 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.371 -0.338 18325
6598 1 14 . 1 1 43 43 ALA H H 43 8.170 8.170 7.639 0.531 18325
6599 1 14 . 1 1 44 44 GLU N N 44 117.052 117.052 119.260 -2.208 18325
6600 1 14 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.172 -0.219 18325
6601 1 14 . 1 1 44 44 GLU C C 44 179.698 179.698 178.699 0.999 18325
6602 1 14 . 1 1 44 44 GLU CA C 44 58.934 58.934 58.426 0.508 18325
6603 1 14 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.304 -0.178 18325
6604 1 14 . 1 1 44 44 GLU H H 44 8.240 8.240 8.233 0.007 18325
6605 1 14 . 1 1 45 45 PHE N N 45 122.282 122.282 121.527 0.755 18325
6606 1 14 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.292 -0.060 18325
6607 1 14 . 1 1 45 45 PHE C C 45 177.994 177.994 176.822 1.172 18325
6608 1 14 . 1 1 45 45 PHE CA C 45 61.170 61.170 60.681 0.488 18325
6609 1 14 . 1 1 45 45 PHE CB C 45 38.225 38.225 39.265 -1.040 18325
6610 1 14 . 1 1 45 45 PHE H H 45 8.068 8.068 7.548 0.520 18325
6611 1 14 . 1 1 46 46 VAL N N 46 120.442 120.442 116.224 4.218 18325
6612 1 14 . 1 1 46 46 VAL HA H 46 2.908 2.908 3.265 -0.357 18325
6613 1 14 . 1 1 46 46 VAL C C 46 178.852 178.852 177.882 0.970 18325
6614 1 14 . 1 1 46 46 VAL CA C 46 67.186 67.186 65.461 1.725 18325
6615 1 14 . 1 1 46 46 VAL CB C 46 31.143 31.143 30.653 0.490 18325
6616 1 14 . 1 1 46 46 VAL H H 46 8.363 8.363 7.566 0.797 18325
6617 1 14 . 1 1 47 47 GLY N N 47 105.864 105.864 107.323 -1.459 18325
6618 1 14 . 1 1 47 47 GLY C C 47 176.759 176.759 175.543 1.216 18325
6619 1 14 . 1 1 47 47 GLY CA C 47 46.690 46.690 46.914 -0.225 18325
6620 1 14 . 1 1 47 47 GLY H H 47 8.187 8.187 7.706 0.481 18325
6621 1 14 . 1 1 48 48 SER N N 48 118.796 118.796 117.313 1.483 18325
6622 1 14 . 1 1 48 48 SER HA H 48 4.201 4.201 4.164 0.037 18325
6623 1 14 . 1 1 48 48 SER C C 48 176.571 176.571 176.092 0.479 18325
6624 1 14 . 1 1 48 48 SER CA C 48 61.440 61.440 61.140 0.300 18325
6625 1 14 . 1 1 48 48 SER CB C 48 62.661 62.661 63.073 -0.412 18325
6626 1 14 . 1 1 48 48 SER H H 48 8.045 8.045 7.453 0.592 18325
6627 1 14 . 1 1 49 49 VAL N N 49 114.967 114.967 113.504 1.463 18325
6628 1 14 . 1 1 49 49 VAL HA H 49 4.356 4.356 3.844 0.512 18325
6629 1 14 . 1 1 49 49 VAL C C 49 175.807 175.807 175.336 0.471 18325
6630 1 14 . 1 1 49 49 VAL CA C 49 62.064 62.064 63.243 -1.179 18325
6631 1 14 . 1 1 49 49 VAL CB C 49 31.110 31.110 30.708 0.402 18325
6632 1 14 . 1 1 49 49 VAL H H 49 7.040 7.040 7.168 -0.128 18325
6633 1 14 . 1 1 50 50 ASN N N 50 119.765 119.765 118.132 1.633 18325
6634 1 14 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.717 0.417 18325
6635 1 14 . 1 1 50 50 ASN C C 50 176.473 176.473 176.043 0.430 18325
6636 1 14 . 1 1 50 50 ASN CA C 50 53.454 53.454 54.556 -1.102 18325
6637 1 14 . 1 1 50 50 ASN CB C 50 40.815 40.815 41.693 -0.878 18325
6638 1 14 . 1 1 50 50 ASN H H 50 7.364 7.364 7.548 -0.184 18325
6639 1 14 . 1 1 51 51 GLY N N 51 110.407 110.407 106.575 3.832 18325
6640 1 14 . 1 1 51 51 GLY C C 51 174.967 174.967 174.058 0.909 18325
6641 1 14 . 1 1 51 51 GLY CA C 51 47.543 47.543 45.505 2.038 18325
6642 1 14 . 1 1 51 51 GLY H H 51 8.546 8.546 8.755 -0.209 18325
6643 1 14 . 1 1 52 52 GLY N N 52 106.482 106.482 108.676 -2.194 18325
6644 1 14 . 1 1 52 52 GLY C C 52 174.134 174.134 173.640 0.494 18325
6645 1 14 . 1 1 52 52 GLY CA C 52 44.424 44.424 45.416 -0.992 18325
6646 1 14 . 1 1 52 52 GLY H H 52 8.810 8.810 8.402 0.408 18325
6647 1 14 . 1 1 53 53 ASN N N 53 119.129 119.129 119.042 0.087 18325
6648 1 14 . 1 1 53 53 ASN HA H 53 4.738 4.738 4.729 0.009 18325
6649 1 14 . 1 1 53 53 ASN C C 53 174.828 174.828 174.297 0.531 18325
6650 1 14 . 1 1 53 53 ASN CA C 53 52.654 52.654 51.966 0.688 18325
6651 1 14 . 1 1 53 53 ASN CB C 53 40.237 40.237 39.277 0.960 18325
6652 1 14 . 1 1 53 53 ASN H H 53 7.330 7.330 8.112 -0.782 18325
6653 1 14 . 1 1 54 54 ARG N N 54 125.094 125.094 118.736 6.358 18325
6654 1 14 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.570 -0.436 18325
6655 1 14 . 1 1 54 54 ARG C C 54 174.863 174.863 175.363 -0.500 18325
6656 1 14 . 1 1 54 54 ARG CA C 54 55.132 55.132 55.557 -0.425 18325
6657 1 14 . 1 1 54 54 ARG CB C 54 27.409 27.409 32.200 -4.791 18325
6658 1 14 . 1 1 54 54 ARG H H 54 8.826 8.826 8.475 0.351 18325
6659 1 14 . 1 1 55 55 THR N N 55 117.920 117.920 118.385 -0.465 18325
6660 1 14 . 1 1 55 55 THR HA H 55 4.020 4.020 4.598 -0.579 18325
6661 1 14 . 1 1 55 55 THR C C 55 172.459 172.459 175.033 -2.574 18325
6662 1 14 . 1 1 55 55 THR CA C 55 63.451 63.451 61.110 2.341 18325
6663 1 14 . 1 1 55 55 THR CB C 55 69.158 69.158 70.886 -1.728 18325
6664 1 14 . 1 1 55 55 THR H H 55 6.994 6.994 8.517 -1.523 18325
6665 1 14 . 1 1 56 56 VAL N N 56 117.300 117.300 123.083 -5.783 18325
6666 1 14 . 1 1 56 56 VAL HA H 56 4.735 4.735 4.094 0.641 18325
6667 1 14 . 1 1 56 56 VAL CA C 56 56.872 56.872 65.856 -8.984 18325
6668 1 14 . 1 1 56 56 VAL CB C 56 34.378 34.378 30.477 3.901 18325
6669 1 14 . 1 1 56 56 VAL H H 56 8.172 8.172 8.450 -0.278 18325
6670 1 14 . 1 1 57 57 PRO HA H 57 5.350 5.350 4.632 0.718 18325
6671 1 14 . 1 1 57 57 PRO C C 57 176.879 176.879 175.564 1.315 18325
6672 1 14 . 1 1 57 57 PRO CA C 57 62.246 62.246 62.782 -0.536 18325
6673 1 14 . 1 1 57 57 PRO CB C 57 34.293 34.293 30.181 4.112 18325
6674 1 14 . 1 1 58 58 THR N N 58 120.440 120.440 121.230 -0.790 18325
6675 1 14 . 1 1 58 58 THR HA H 58 5.042 5.042 5.292 -0.250 18325
6676 1 14 . 1 1 58 58 THR C C 58 172.321 172.321 172.926 -0.605 18325
6677 1 14 . 1 1 58 58 THR CA C 58 63.449 63.449 61.657 1.792 18325
6678 1 14 . 1 1 58 58 THR CB C 58 71.892 71.892 71.720 0.172 18325
6679 1 14 . 1 1 58 58 THR H H 58 7.948 7.948 8.581 -0.633 18325
6680 1 14 . 1 1 59 59 VAL N N 59 126.444 126.444 126.807 -0.363 18325
6681 1 14 . 1 1 59 59 VAL HA H 59 5.095 5.095 5.012 0.083 18325
6682 1 14 . 1 1 59 59 VAL C C 59 173.176 173.176 173.368 -0.192 18325
6683 1 14 . 1 1 59 59 VAL CA C 59 60.133 60.133 59.101 1.032 18325
6684 1 14 . 1 1 59 59 VAL CB C 59 34.117 34.117 34.968 -0.851 18325
6685 1 14 . 1 1 59 59 VAL H H 59 9.428 9.428 9.160 0.268 18325
6686 1 14 . 1 1 60 60 LYS N N 60 126.183 126.183 129.254 -3.071 18325
6687 1 14 . 1 1 60 60 LYS HA H 60 5.379 5.379 5.416 -0.037 18325
6688 1 14 . 1 1 60 60 LYS C C 60 175.404 175.404 175.683 -0.279 18325
6689 1 14 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.469 0.142 18325
6690 1 14 . 1 1 60 60 LYS CB C 60 37.601 37.601 34.883 2.718 18325
6691 1 14 . 1 1 60 60 LYS H H 60 9.214 9.214 8.852 0.362 18325
6692 1 14 . 1 1 61 61 PHE N N 61 126.709 126.709 123.969 2.740 18325
6693 1 14 . 1 1 61 61 PHE HA H 61 4.736 4.736 5.284 -0.548 18325
6694 1 14 . 1 1 61 61 PHE C C 61 178.102 178.102 177.765 0.337 18325
6695 1 14 . 1 1 61 61 PHE CA C 61 58.048 58.048 57.047 1.001 18325
6696 1 14 . 1 1 61 61 PHE CB C 61 41.221 41.221 40.811 0.410 18325
6697 1 14 . 1 1 61 61 PHE H H 61 9.069 9.069 9.370 -0.301 18325
6698 1 14 . 1 1 62 62 ALA N N 62 123.358 123.358 123.127 0.231 18325
6699 1 14 . 1 1 62 62 ALA HA H 62 4.134 4.134 4.159 -0.025 18325
6700 1 14 . 1 1 62 62 ALA C C 62 177.754 177.754 177.723 0.031 18325
6701 1 14 . 1 1 62 62 ALA CA C 62 54.940 54.940 54.720 0.220 18325
6702 1 14 . 1 1 62 62 ALA CB C 62 19.243 19.243 18.589 0.654 18325
6703 1 14 . 1 1 62 62 ALA H H 62 9.728 9.728 9.001 0.727 18325
6704 1 14 . 1 1 63 63 ASP N N 63 113.412 113.412 116.739 -3.327 18325
6705 1 14 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.621 -0.035 18325
6706 1 14 . 1 1 63 63 ASP C C 63 177.032 177.032 177.261 -0.229 18325
6707 1 14 . 1 1 63 63 ASP CA C 63 53.141 53.141 54.006 -0.865 18325
6708 1 14 . 1 1 63 63 ASP CB C 63 40.040 40.040 40.557 -0.517 18325
6709 1 14 . 1 1 63 63 ASP H H 63 7.675 7.675 8.106 -0.431 18325
6710 1 14 . 1 1 64 64 GLY N N 64 109.285 109.285 107.916 1.369 18325
6711 1 14 . 1 1 64 64 GLY C C 64 173.680 173.680 174.159 -0.479 18325
6712 1 14 . 1 1 64 64 GLY CA C 64 45.328 45.328 45.469 -0.141 18325
6713 1 14 . 1 1 64 64 GLY H H 64 8.361 8.361 7.818 0.543 18325
6714 1 14 . 1 1 65 65 SER N N 65 117.733 117.733 116.926 0.807 18325
6715 1 14 . 1 1 65 65 SER HA H 65 4.567 4.567 4.541 0.026 18325
6716 1 14 . 1 1 65 65 SER C C 65 173.595 173.595 174.167 -0.572 18325
6717 1 14 . 1 1 65 65 SER CA C 65 58.964 58.964 59.628 -0.664 18325
6718 1 14 . 1 1 65 65 SER CB C 65 64.637 64.637 63.536 1.101 18325
6719 1 14 . 1 1 65 65 SER H H 65 8.287 8.287 8.071 0.216 18325
6720 1 14 . 1 1 66 66 THR N N 66 106.725 106.725 116.302 -9.577 18325
6721 1 14 . 1 1 66 66 THR HA H 66 6.250 6.250 5.636 0.614 18325
6722 1 14 . 1 1 66 66 THR C C 66 175.730 175.730 174.272 1.458 18325
6723 1 14 . 1 1 66 66 THR CA C 66 59.494 59.494 60.123 -0.629 18325
6724 1 14 . 1 1 66 66 THR CB C 66 73.049 73.049 71.230 1.819 18325
6725 1 14 . 1 1 66 66 THR H H 66 8.221 8.221 8.351 -0.130 18325
6726 1 14 . 1 1 67 67 LEU N N 67 117.517 117.517 126.022 -8.505 18325
6727 1 14 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.804 0.064 18325
6728 1 14 . 1 1 67 67 LEU C C 67 176.030 176.030 175.844 0.186 18325
6729 1 14 . 1 1 67 67 LEU CA C 67 54.768 54.768 53.822 0.946 18325
6730 1 14 . 1 1 67 67 LEU CB C 67 47.406 47.406 45.782 1.624 18325
6731 1 14 . 1 1 67 67 LEU H H 67 8.763 8.763 9.307 -0.544 18325
6732 1 14 . 1 1 68 68 THR N N 68 120.988 120.988 120.060 0.928 18325
6733 1 14 . 1 1 68 68 THR HA H 68 4.616 4.616 4.644 -0.028 18325
6734 1 14 . 1 1 68 68 THR C C 68 173.201 173.201 174.752 -1.551 18325
6735 1 14 . 1 1 68 68 THR CA C 68 62.802 62.802 62.703 0.099 18325
6736 1 14 . 1 1 68 68 THR CB C 68 69.226 69.226 69.040 0.186 18325
6737 1 14 . 1 1 68 68 THR H H 68 9.226 9.226 8.719 0.507 18325
6738 1 14 . 1 1 69 69 ASN N N 69 122.679 122.679 122.464 0.215 18325
6739 1 14 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.559 -0.269 18325
6740 1 14 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.705 0.761 18325
6741 1 14 . 1 1 69 69 ASN CB C 69 38.731 38.731 37.089 1.642 18325
6742 1 14 . 1 1 69 69 ASN H H 69 9.097 9.097 8.545 0.552 18325
6743 1 14 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.672 0.197 18325
6744 1 14 . 1 1 70 70 PRO C C 70 177.239 177.239 175.862 1.377 18325
6745 1 14 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.442 0.615 18325
6746 1 14 . 1 1 70 70 PRO CB C 70 32.153 32.153 33.182 -1.029 18325
6747 1 14 . 1 1 71 71 SER N N 71 115.373 115.373 114.760 0.613 18325
6748 1 14 . 1 1 71 71 SER HA H 71 4.620 4.620 4.688 -0.068 18325
6749 1 14 . 1 1 71 71 SER C C 71 175.966 175.966 175.289 0.677 18325
6750 1 14 . 1 1 71 71 SER CA C 71 56.624 56.624 56.761 -0.137 18325
6751 1 14 . 1 1 71 71 SER CB C 71 65.562 65.562 65.924 -0.362 18325
6752 1 14 . 1 1 71 71 SER H H 71 8.932 8.932 8.307 0.625 18325
6753 1 14 . 1 1 72 72 ALA N N 72 124.008 124.008 126.442 -2.434 18325
6754 1 14 . 1 1 72 72 ALA HA H 72 3.763 3.763 3.966 -0.203 18325
6755 1 14 . 1 1 72 72 ALA C C 72 179.550 179.550 179.407 0.143 18325
6756 1 14 . 1 1 72 72 ALA CA C 72 55.970 55.970 55.487 0.483 18325
6757 1 14 . 1 1 72 72 ALA CB C 72 17.873 17.873 18.263 -0.390 18325
6758 1 14 . 1 1 72 72 ALA H H 72 9.235 9.235 8.909 0.326 18325
6759 1 14 . 1 1 73 73 ASP N N 73 116.584 116.584 117.540 -0.956 18325
6760 1 14 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.508 -0.178 18325
6761 1 14 . 1 1 73 73 ASP C C 73 179.219 179.219 178.374 0.845 18325
6762 1 14 . 1 1 73 73 ASP CA C 73 57.583 57.583 56.807 0.776 18325
6763 1 14 . 1 1 73 73 ASP CB C 73 40.300 40.300 40.517 -0.217 18325
6764 1 14 . 1 1 73 73 ASP H H 73 8.277 8.277 8.735 -0.458 18325
6765 1 14 . 1 1 74 74 GLU N N 74 122.057 122.057 120.276 1.781 18325
6766 1 14 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.102 -0.087 18325
6767 1 14 . 1 1 74 74 GLU C C 74 180.045 180.045 179.064 0.981 18325
6768 1 14 . 1 1 74 74 GLU CA C 74 59.199 59.199 59.107 0.092 18325
6769 1 14 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.705 0.369 18325
6770 1 14 . 1 1 74 74 GLU H H 74 7.925 7.925 8.528 -0.603 18325
6771 1 14 . 1 1 75 75 VAL N N 75 120.141 120.141 120.139 0.002 18325
6772 1 14 . 1 1 75 75 VAL HA H 75 3.681 3.681 3.813 -0.132 18325
6773 1 14 . 1 1 75 75 VAL C C 75 177.008 177.008 177.644 -0.636 18325
6774 1 14 . 1 1 75 75 VAL CA C 75 67.172 67.172 66.793 0.379 18325
6775 1 14 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.605 -0.368 18325
6776 1 14 . 1 1 75 75 VAL H H 75 7.885 7.885 8.710 -0.825 18325
6777 1 14 . 1 1 76 76 LYS N N 76 118.715 118.715 120.174 -1.459 18325
6778 1 14 . 1 1 76 76 LYS HA H 76 3.827 3.827 4.009 -0.182 18325
6779 1 14 . 1 1 76 76 LYS C C 76 178.105 178.105 178.534 -0.429 18325
6780 1 14 . 1 1 76 76 LYS CA C 76 60.397 60.397 59.754 0.643 18325
6781 1 14 . 1 1 76 76 LYS CB C 76 32.405 32.405 32.338 0.067 18325
6782 1 14 . 1 1 76 76 LYS H H 76 8.298 8.298 7.541 0.757 18325
6783 1 14 . 1 1 77 77 ALA N N 77 118.993 118.993 120.766 -1.773 18325
6784 1 14 . 1 1 77 77 ALA HA H 77 4.031 4.031 4.035 -0.004 18325
6785 1 14 . 1 1 77 77 ALA C C 77 180.450 180.450 179.424 1.026 18325
6786 1 14 . 1 1 77 77 ALA CA C 77 54.820 54.820 55.104 -0.284 18325
6787 1 14 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.409 -0.209 18325
6788 1 14 . 1 1 77 77 ALA H H 77 7.985 7.985 7.972 0.013 18325
6789 1 14 . 1 1 78 78 LYS N N 78 119.952 119.952 117.756 2.196 18325
6790 1 14 . 1 1 78 78 LYS HA H 78 3.975 3.975 3.975 -0.000 18325
6791 1 14 . 1 1 78 78 LYS C C 78 177.949 177.949 178.451 -0.502 18325
6792 1 14 . 1 1 78 78 LYS CA C 78 58.079 58.079 57.546 0.533 18325
6793 1 14 . 1 1 78 78 LYS CB C 78 31.342 31.342 31.799 -0.457 18325
6794 1 14 . 1 1 78 78 LYS H H 78 7.480 7.480 7.737 -0.257 18325
6795 1 14 . 1 1 79 79 LEU N N 79 118.729 118.729 121.771 -3.042 18325
6796 1 14 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.222 -0.186 18325
6797 1 14 . 1 1 79 79 LEU C C 79 180.234 180.234 177.916 2.318 18325
6798 1 14 . 1 1 79 79 LEU CA C 79 58.096 58.096 57.984 0.112 18325
6799 1 14 . 1 1 79 79 LEU CB C 79 41.776 41.776 41.851 -0.075 18325
6800 1 14 . 1 1 79 79 LEU H H 79 8.075 8.075 8.125 -0.050 18325
6801 1 14 . 1 1 80 80 VAL N N 80 118.567 118.567 113.776 4.791 18325
6802 1 14 . 1 1 80 80 VAL HA H 80 3.733 3.733 3.385 0.348 18325
6803 1 14 . 1 1 80 80 VAL C C 80 178.390 178.390 177.280 1.110 18325
6804 1 14 . 1 1 80 80 VAL CA C 80 65.895 65.895 66.284 -0.389 18325
6805 1 14 . 1 1 80 80 VAL CB C 80 31.961 31.961 31.322 0.639 18325
6806 1 14 . 1 1 80 80 VAL H H 80 7.867 7.867 7.931 -0.064 18325
6807 1 14 . 1 1 81 81 LYS N N 81 121.106 121.106 118.717 2.389 18325
6808 1 14 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.107 -0.015 18325
6809 1 14 . 1 1 81 81 LYS C C 81 179.434 179.434 178.323 1.111 18325
6810 1 14 . 1 1 81 81 LYS CA C 81 58.943 58.943 58.943 0.000 18325
6811 1 14 . 1 1 81 81 LYS CB C 81 32.497 32.497 32.394 0.103 18325
6812 1 14 . 1 1 81 81 LYS H H 81 7.565 7.565 7.472 0.093 18325
6813 1 14 . 1 1 82 82 ILE N N 82 117.365 117.365 114.629 2.736 18325
6814 1 14 . 1 1 82 82 ILE HA H 82 3.953 3.953 4.063 -0.110 18325
6815 1 14 . 1 1 82 82 ILE C C 82 177.482 177.482 177.313 0.169 18325
6816 1 14 . 1 1 82 82 ILE CA C 82 63.598 63.598 62.585 1.013 18325
6817 1 14 . 1 1 82 82 ILE CB C 82 38.372 38.372 37.941 0.431 18325
6818 1 14 . 1 1 82 82 ILE H H 82 8.124 8.124 7.577 0.547 18325
6819 1 14 . 1 1 83 83 ALA N N 83 123.334 123.334 121.145 2.189 18325
6820 1 14 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.325 -0.046 18325
6821 1 14 . 1 1 83 83 ALA C C 83 179.104 179.104 179.335 -0.231 18325
6822 1 14 . 1 1 83 83 ALA CA C 83 53.851 53.851 53.721 0.130 18325
6823 1 14 . 1 1 83 83 ALA CB C 83 18.769 18.769 19.910 -1.141 18325
6824 1 14 . 1 1 83 83 ALA H H 83 7.867 7.867 8.126 -0.259 18325
6825 1 14 . 1 1 84 84 GLY N N 84 105.962 105.962 107.841 -1.879 18325
6826 1 14 . 1 1 84 84 GLY C C 84 174.779 174.779 174.746 0.033 18325
6827 1 14 . 1 1 84 84 GLY CA C 84 45.847 45.847 45.994 -0.147 18325
6828 1 14 . 1 1 84 84 GLY H H 84 8.019 8.019 8.456 -0.437 18325
6829 1 14 . 1 1 85 85 LEU N N 85 120.702 120.702 122.007 -1.305 18325
6830 1 14 . 1 1 85 85 LEU HA H 85 4.275 4.275 4.661 -0.386 18325
6831 1 14 . 1 1 85 85 LEU C C 85 177.609 177.609 178.054 -0.445 18325
6832 1 14 . 1 1 85 85 LEU CA C 85 55.511 55.511 53.568 1.943 18325
6833 1 14 . 1 1 85 85 LEU CB C 85 42.449 42.449 42.828 -0.379 18325
6834 1 14 . 1 1 85 85 LEU H H 85 7.727 7.727 7.693 0.034 18325
6835 1 14 . 1 1 86 86 GLU N N 86 120.386 120.386 118.287 2.099 18325
6836 1 14 . 1 1 86 86 GLU HA H 86 4.154 4.154 3.883 0.271 18325
6837 1 14 . 1 1 86 86 GLU C C 86 176.359 176.359 176.866 -0.507 18325
6838 1 14 . 1 1 86 86 GLU CA C 86 56.941 56.941 58.562 -1.621 18325
6839 1 14 . 1 1 86 86 GLU CB C 86 30.180 30.180 28.760 1.420 18325
6840 1 14 . 1 1 86 86 GLU H H 86 8.238 8.238 9.069 -0.831 18325
6841 1 14 . 1 1 87 87 HIS N N 87 119.393 119.393 116.748 2.645 18325
6842 1 14 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.382 0.208 18325
6843 1 14 . 1 1 87 87 HIS C C 87 174.000 174.000 175.388 -1.388 18325
6844 1 14 . 1 1 87 87 HIS CA C 87 56.146 56.146 57.567 -1.421 18325
6845 1 14 . 1 1 87 87 HIS CB C 87 30.335 30.335 30.392 -0.057 18325
6846 1 14 . 1 1 87 87 HIS H H 87 8.177 8.177 8.214 -0.037 18325
6847 1 15 . 1 1 2 2 VAL HA H 2 4.195 4.195 4.142 0.053 18325
6848 1 15 . 1 1 2 2 VAL C C 2 175.805 175.805 176.034 -0.229 18325
6849 1 15 . 1 1 2 2 VAL CA C 2 62.388 62.388 62.944 -0.556 18325
6850 1 15 . 1 1 2 2 VAL CB C 2 32.777 32.777 32.042 0.735 18325
6851 1 15 . 1 1 3 3 THR N N 3 119.229 119.229 108.383 10.846 18325
6852 1 15 . 1 1 3 3 THR HA H 3 4.259 4.259 4.020 0.239 18325
6853 1 15 . 1 1 3 3 THR C C 3 173.761 173.761 173.799 -0.038 18325
6854 1 15 . 1 1 3 3 THR CA C 3 61.673 61.673 62.031 -0.358 18325
6855 1 15 . 1 1 3 3 THR CB C 3 69.846 69.846 69.415 0.431 18325
6856 1 15 . 1 1 3 3 THR H H 3 8.256 8.256 7.356 0.900 18325
6857 1 15 . 1 1 4 4 ALA N N 4 126.635 126.635 125.892 0.743 18325
6858 1 15 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.452 -0.298 18325
6859 1 15 . 1 1 4 4 ALA C C 4 177.002 177.002 177.163 -0.161 18325
6860 1 15 . 1 1 4 4 ALA CA C 4 52.159 52.159 51.394 0.765 18325
6861 1 15 . 1 1 4 4 ALA CB C 4 19.512 19.512 20.349 -0.837 18325
6862 1 15 . 1 1 4 4 ALA H H 4 8.367 8.367 9.128 -0.761 18325
6863 1 15 . 1 1 5 5 ALA N N 5 123.621 123.621 123.435 0.186 18325
6864 1 15 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.249 0.018 18325
6865 1 15 . 1 1 5 5 ALA C C 5 176.288 176.288 176.513 -0.225 18325
6866 1 15 . 1 1 5 5 ALA CA C 5 52.894 52.894 52.814 0.080 18325
6867 1 15 . 1 1 5 5 ALA CB C 5 19.494 19.494 18.917 0.577 18325
6868 1 15 . 1 1 5 5 ALA H H 5 8.374 8.374 8.721 -0.347 18325
6869 1 15 . 1 1 6 6 LEU N N 6 115.731 115.731 113.471 2.260 18325
6870 1 15 . 1 1 6 6 LEU HA H 6 4.648 4.648 5.395 -0.747 18325
6871 1 15 . 1 1 6 6 LEU C C 6 175.007 175.007 175.225 -0.218 18325
6872 1 15 . 1 1 6 6 LEU CA C 6 54.263 54.263 52.214 2.049 18325
6873 1 15 . 1 1 6 6 LEU CB C 6 44.224 44.224 43.502 0.722 18325
6874 1 15 . 1 1 6 6 LEU H H 6 7.478 7.478 7.411 0.067 18325
6875 1 15 . 1 1 7 7 THR N N 7 119.383 119.383 120.807 -1.424 18325
6876 1 15 . 1 1 7 7 THR HA H 7 4.906 4.906 5.036 -0.130 18325
6877 1 15 . 1 1 7 7 THR C C 7 172.657 172.657 173.926 -1.269 18325
6878 1 15 . 1 1 7 7 THR CA C 7 61.586 61.586 61.960 -0.374 18325
6879 1 15 . 1 1 7 7 THR CB C 7 70.917 70.917 69.391 1.526 18325
6880 1 15 . 1 1 7 7 THR H H 7 8.342 8.342 8.905 -0.563 18325
6881 1 15 . 1 1 8 8 ILE N N 8 124.711 124.711 126.763 -2.052 18325
6882 1 15 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.411 0.164 18325
6883 1 15 . 1 1 8 8 ILE C C 8 172.650 172.650 174.539 -1.889 18325
6884 1 15 . 1 1 8 8 ILE CA C 8 59.206 59.206 60.348 -1.142 18325
6885 1 15 . 1 1 8 8 ILE CB C 8 40.150 40.150 39.913 0.237 18325
6886 1 15 . 1 1 8 8 ILE H H 8 9.050 9.050 8.979 0.071 18325
6887 1 15 . 1 1 9 9 TYR N N 9 128.517 128.517 127.125 1.392 18325
6888 1 15 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.616 0.809 18325
6889 1 15 . 1 1 9 9 TYR C C 9 176.445 176.445 174.546 1.899 18325
6890 1 15 . 1 1 9 9 TYR CA C 9 57.397 57.397 57.995 -0.598 18325
6891 1 15 . 1 1 9 9 TYR CB C 9 39.232 39.232 38.373 0.859 18325
6892 1 15 . 1 1 9 9 TYR H H 9 9.094 9.094 9.210 -0.116 18325
6893 1 15 . 1 1 10 10 THR N N 10 112.214 112.214 113.470 -1.256 18325
6894 1 15 . 1 1 10 10 THR HA H 10 4.778 4.778 4.602 0.176 18325
6895 1 15 . 1 1 10 10 THR C C 10 173.410 173.410 173.127 0.283 18325
6896 1 15 . 1 1 10 10 THR CA C 10 59.893 59.893 60.077 -0.184 18325
6897 1 15 . 1 1 10 10 THR CB C 10 72.063 72.063 71.920 0.143 18325
6898 1 15 . 1 1 10 10 THR H H 10 8.824 8.824 8.231 0.593 18325
6899 1 15 . 1 1 11 11 THR N N 11 103.866 103.866 112.117 -8.251 18325
6900 1 15 . 1 1 11 11 THR HA H 11 4.585 4.585 4.439 0.146 18325
6901 1 15 . 1 1 11 11 THR C C 11 176.335 176.335 174.773 1.562 18325
6902 1 15 . 1 1 11 11 THR CA C 11 60.389 60.389 59.421 0.968 18325
6903 1 15 . 1 1 11 11 THR CB C 11 72.584 72.584 70.356 2.228 18325
6904 1 15 . 1 1 11 11 THR H H 11 6.667 6.667 7.731 -1.064 18325
6905 1 15 . 1 1 12 12 SER N N 12 116.991 116.991 114.503 2.488 18325
6906 1 15 . 1 1 12 12 SER HA H 12 4.134 4.134 4.573 -0.439 18325
6907 1 15 . 1 1 12 12 SER C C 12 174.863 174.863 174.537 0.326 18325
6908 1 15 . 1 1 12 12 SER CA C 12 61.183 61.183 59.765 1.418 18325
6909 1 15 . 1 1 12 12 SER CB C 12 62.845 62.845 63.253 -0.408 18325
6910 1 15 . 1 1 12 12 SER H H 12 9.561 9.561 8.346 1.215 18325
6911 1 15 . 1 1 13 13 TRP N N 13 117.675 117.675 121.062 -3.387 18325
6912 1 15 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.768 0.007 18325
6913 1 15 . 1 1 13 13 TRP C C 13 175.144 175.144 176.484 -1.340 18325
6914 1 15 . 1 1 13 13 TRP CA C 13 54.555 54.555 56.320 -1.765 18325
6915 1 15 . 1 1 13 13 TRP CB C 13 28.292 28.292 28.695 -0.403 18325
6916 1 15 . 1 1 13 13 TRP H H 13 6.996 6.996 7.623 -0.627 18325
6917 1 15 . 1 1 14 14 CYS N N 14 120.513 120.513 115.728 4.785 18325
6918 1 15 . 1 1 14 14 CYS HA H 14 4.498 4.498 5.086 -0.588 18325
6919 1 15 . 1 1 14 14 CYS CA C 14 53.859 53.859 57.045 -3.186 18325
6920 1 15 . 1 1 14 14 CYS CB C 14 44.419 44.419 30.085 14.334 18325
6921 1 15 . 1 1 14 14 CYS H H 14 6.755 6.755 7.463 -0.708 18325
6922 1 15 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.187 0.190 18325
6923 1 15 . 1 1 16 16 TYR C C 16 177.495 177.495 176.787 0.708 18325
6924 1 15 . 1 1 16 16 TYR CA C 16 60.662 60.662 59.094 1.567 18325
6925 1 15 . 1 1 16 16 TYR CB C 16 37.852 37.852 36.628 1.224 18325
6926 1 15 . 1 1 17 17 CYS N N 17 114.160 114.160 115.953 -1.793 18325
6927 1 15 . 1 1 17 17 CYS HA H 17 3.923 3.923 4.016 -0.093 18325
6928 1 15 . 1 1 17 17 CYS C C 17 174.680 174.680 176.547 -1.867 18325
6929 1 15 . 1 1 17 17 CYS CA C 17 65.302 65.302 59.211 6.091 18325
6930 1 15 . 1 1 17 17 CYS CB C 17 33.986 33.986 26.277 7.709 18325
6931 1 15 . 1 1 17 17 CYS H H 17 8.495 8.495 7.556 0.939 18325
6932 1 15 . 1 1 18 18 LEU N N 18 119.295 119.295 122.717 -3.422 18325
6933 1 15 . 1 1 18 18 LEU HA H 18 4.031 4.031 4.037 -0.006 18325
6934 1 15 . 1 1 18 18 LEU C C 18 179.001 179.001 178.511 0.490 18325
6935 1 15 . 1 1 18 18 LEU CA C 18 58.234 58.234 57.358 0.875 18325
6936 1 15 . 1 1 18 18 LEU CB C 18 41.205 41.205 41.593 -0.388 18325
6937 1 15 . 1 1 18 18 LEU H H 18 7.311 7.311 7.864 -0.553 18325
6938 1 15 . 1 1 19 19 ARG N N 19 119.771 119.771 119.283 0.488 18325
6939 1 15 . 1 1 19 19 ARG HA H 19 3.998 3.998 4.023 -0.025 18325
6940 1 15 . 1 1 19 19 ARG C C 19 178.949 178.949 178.746 0.203 18325
6941 1 15 . 1 1 19 19 ARG CA C 19 59.597 59.597 58.917 0.680 18325
6942 1 15 . 1 1 19 19 ARG CB C 19 30.006 30.006 29.182 0.824 18325
6943 1 15 . 1 1 19 19 ARG H H 19 7.469 7.469 7.528 -0.059 18325
6944 1 15 . 1 1 20 20 LEU N N 20 120.802 120.802 120.550 0.252 18325
6945 1 15 . 1 1 20 20 LEU HA H 20 4.097 4.097 4.095 0.002 18325
6946 1 15 . 1 1 20 20 LEU C C 20 177.928 177.928 177.833 0.095 18325
6947 1 15 . 1 1 20 20 LEU CA C 20 57.757 57.757 57.697 0.060 18325
6948 1 15 . 1 1 20 20 LEU CB C 20 40.940 40.940 41.707 -0.767 18325
6949 1 15 . 1 1 20 20 LEU H H 20 8.150 8.150 7.561 0.589 18325
6950 1 15 . 1 1 21 21 LYS N N 21 117.910 117.910 119.133 -1.223 18325
6951 1 15 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.563 -0.283 18325
6952 1 15 . 1 1 21 21 LYS C C 21 178.851 178.851 178.661 0.190 18325
6953 1 15 . 1 1 21 21 LYS CA C 21 61.353 61.353 59.718 1.635 18325
6954 1 15 . 1 1 21 21 LYS CB C 21 31.698 31.698 31.991 -0.293 18325
6955 1 15 . 1 1 21 21 LYS H H 21 7.854 7.854 8.049 -0.195 18325
6956 1 15 . 1 1 22 22 THR N N 22 115.451 115.451 115.548 -0.097 18325
6957 1 15 . 1 1 22 22 THR HA H 22 3.889 3.889 4.178 -0.289 18325
6958 1 15 . 1 1 22 22 THR C C 22 176.571 176.571 176.223 0.348 18325
6959 1 15 . 1 1 22 22 THR CA C 22 66.849 66.849 66.142 0.707 18325
6960 1 15 . 1 1 22 22 THR CB C 22 68.793 68.793 68.540 0.253 18325
6961 1 15 . 1 1 22 22 THR H H 22 8.125 8.125 7.869 0.256 18325
6962 1 15 . 1 1 23 23 ALA N N 23 125.218 125.218 124.864 0.354 18325
6963 1 15 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.110 0.164 18325
6964 1 15 . 1 1 23 23 ALA C C 23 180.948 180.948 179.774 1.174 18325
6965 1 15 . 1 1 23 23 ALA CA C 23 55.003 55.003 55.162 -0.159 18325
6966 1 15 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.088 0.754 18325
6967 1 15 . 1 1 23 23 ALA H H 23 7.892 7.892 7.694 0.198 18325
6968 1 15 . 1 1 24 24 LEU N N 24 120.007 120.007 117.279 2.728 18325
6969 1 15 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.980 0.038 18325
6970 1 15 . 1 1 24 24 LEU C C 24 179.738 179.738 179.227 0.511 18325
6971 1 15 . 1 1 24 24 LEU CA C 24 58.807 58.807 57.821 0.986 18325
6972 1 15 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.407 -1.593 18325
6973 1 15 . 1 1 24 24 LEU H H 24 8.775 8.775 8.686 0.089 18325
6974 1 15 . 1 1 25 25 THR N N 25 118.777 118.777 116.198 2.579 18325
6975 1 15 . 1 1 25 25 THR HA H 25 4.175 4.175 4.173 0.002 18325
6976 1 15 . 1 1 25 25 THR C C 25 178.539 178.539 177.132 1.407 18325
6977 1 15 . 1 1 25 25 THR CA C 25 67.138 67.138 66.457 0.681 18325
6978 1 15 . 1 1 25 25 THR CB C 25 68.679 68.679 68.525 0.154 18325
6979 1 15 . 1 1 25 25 THR H H 25 8.636 8.636 7.617 1.018 18325
6980 1 15 . 1 1 26 26 ALA N N 26 126.122 126.122 124.175 1.947 18325
6981 1 15 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.212 -0.024 18325
6982 1 15 . 1 1 26 26 ALA C C 26 178.536 178.536 178.887 -0.351 18325
6983 1 15 . 1 1 26 26 ALA CA C 26 55.134 55.134 54.546 0.588 18325
6984 1 15 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.264 -0.377 18325
6985 1 15 . 1 1 26 26 ALA H H 26 8.357 8.357 8.188 0.169 18325
6986 1 15 . 1 1 27 27 ASN N N 27 114.755 114.755 115.452 -0.697 18325
6987 1 15 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.786 -0.089 18325
6988 1 15 . 1 1 27 27 ASN C C 27 172.751 172.751 174.712 -1.961 18325
6989 1 15 . 1 1 27 27 ASN CA C 27 53.712 53.712 53.394 0.318 18325
6990 1 15 . 1 1 27 27 ASN CB C 27 40.648 40.648 39.227 1.421 18325
6991 1 15 . 1 1 27 27 ASN H H 27 7.456 7.456 7.777 -0.321 18325
6992 1 15 . 1 1 28 28 ARG N N 28 115.444 115.444 117.794 -2.350 18325
6993 1 15 . 1 1 28 28 ARG HA H 28 3.934 3.934 3.989 -0.055 18325
6994 1 15 . 1 1 28 28 ARG C C 28 175.075 175.075 174.389 0.686 18325
6995 1 15 . 1 1 28 28 ARG CA C 28 57.091 57.091 57.316 -0.225 18325
6996 1 15 . 1 1 28 28 ARG CB C 28 26.393 26.393 28.064 -1.671 18325
6997 1 15 . 1 1 28 28 ARG H H 28 8.183 8.183 7.576 0.607 18325
6998 1 15 . 1 1 29 29 ILE N N 29 120.976 120.976 119.570 1.406 18325
6999 1 15 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.229 -0.150 18325
7000 1 15 . 1 1 29 29 ILE C C 29 175.050 175.050 174.815 0.235 18325
7001 1 15 . 1 1 29 29 ILE CA C 29 60.664 60.664 60.872 -0.208 18325
7002 1 15 . 1 1 29 29 ILE CB C 29 38.695 38.695 38.517 0.178 18325
7003 1 15 . 1 1 29 29 ILE H H 29 8.004 8.004 8.410 -0.406 18325
7004 1 15 . 1 1 30 30 ALA N N 30 131.099 131.099 131.676 -0.577 18325
7005 1 15 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.306 -0.138 18325
7006 1 15 . 1 1 30 30 ALA C C 30 176.360 176.360 175.733 0.627 18325
7007 1 15 . 1 1 30 30 ALA CA C 30 51.819 51.819 51.791 0.028 18325
7008 1 15 . 1 1 30 30 ALA CB C 30 19.641 19.641 19.646 -0.005 18325
7009 1 15 . 1 1 30 30 ALA H H 30 8.329 8.329 8.422 -0.093 18325
7010 1 15 . 1 1 31 31 TYR N N 31 114.363 114.363 119.943 -5.580 18325
7011 1 15 . 1 1 31 31 TYR HA H 31 5.133 5.133 4.819 0.314 18325
7012 1 15 . 1 1 31 31 TYR C C 31 173.470 173.470 174.113 -0.643 18325
7013 1 15 . 1 1 31 31 TYR CA C 31 55.522 55.522 55.737 -0.215 18325
7014 1 15 . 1 1 31 31 TYR CB C 31 41.184 41.184 40.636 0.548 18325
7015 1 15 . 1 1 31 31 TYR H H 31 7.509 7.509 7.718 -0.209 18325
7016 1 15 . 1 1 32 32 ASP N N 32 120.754 120.754 123.479 -2.725 18325
7017 1 15 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.920 0.006 18325
7018 1 15 . 1 1 32 32 ASP C C 32 174.611 174.611 175.172 -0.561 18325
7019 1 15 . 1 1 32 32 ASP CA C 32 52.875 52.875 53.711 -0.836 18325
7020 1 15 . 1 1 32 32 ASP CB C 32 42.843 42.843 43.445 -0.602 18325
7021 1 15 . 1 1 32 32 ASP H H 32 8.517 8.517 8.303 0.214 18325
7022 1 15 . 1 1 33 33 GLU N N 33 124.650 124.650 121.829 2.821 18325
7023 1 15 . 1 1 33 33 GLU HA H 33 5.205 5.205 5.275 -0.070 18325
7024 1 15 . 1 1 33 33 GLU C C 33 175.049 175.049 175.783 -0.734 18325
7025 1 15 . 1 1 33 33 GLU CA C 33 54.489 54.489 54.568 -0.079 18325
7026 1 15 . 1 1 33 33 GLU CB C 33 32.425 32.425 31.602 0.823 18325
7027 1 15 . 1 1 33 33 GLU H H 33 8.836 8.836 8.590 0.246 18325
7028 1 15 . 1 1 34 34 VAL N N 34 128.112 128.112 121.148 6.964 18325
7029 1 15 . 1 1 34 34 VAL HA H 34 4.062 4.062 4.084 -0.022 18325
7030 1 15 . 1 1 34 34 VAL C C 34 173.620 173.620 177.048 -3.428 18325
7031 1 15 . 1 1 34 34 VAL CA C 34 61.427 61.427 61.320 0.107 18325
7032 1 15 . 1 1 34 34 VAL CB C 34 34.690 34.690 32.554 2.136 18325
7033 1 15 . 1 1 34 34 VAL H H 34 8.615 8.615 8.250 0.365 18325
7034 1 15 . 1 1 35 35 ASP N N 35 127.319 127.319 123.484 3.835 18325
7035 1 15 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.150 0.787 18325
7036 1 15 . 1 1 35 35 ASP C C 35 179.260 179.260 177.326 1.934 18325
7037 1 15 . 1 1 35 35 ASP CA C 35 61.428 61.428 55.999 5.429 18325
7038 1 15 . 1 1 35 35 ASP CB C 35 41.858 41.858 40.070 1.788 18325
7039 1 15 . 1 1 35 35 ASP H H 35 8.458 8.458 8.807 -0.349 18325
7040 1 15 . 1 1 36 36 ILE N N 36 119.537 119.537 115.967 3.570 18325
7041 1 15 . 1 1 36 36 ILE HA H 36 4.360 4.360 3.947 0.413 18325
7042 1 15 . 1 1 36 36 ILE C C 36 176.943 176.943 177.672 -0.729 18325
7043 1 15 . 1 1 36 36 ILE CA C 36 63.681 63.681 63.544 0.137 18325
7044 1 15 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.142 0.495 18325
7045 1 15 . 1 1 36 36 ILE H H 36 8.833 8.833 7.718 1.115 18325
7046 1 15 . 1 1 37 37 GLU N N 37 122.074 122.074 119.453 2.621 18325
7047 1 15 . 1 1 37 37 GLU HA H 37 4.131 4.131 3.740 0.391 18325
7048 1 15 . 1 1 37 37 GLU C C 37 177.224 177.224 177.521 -0.297 18325
7049 1 15 . 1 1 37 37 GLU CA C 37 58.503 58.503 58.853 -0.350 18325
7050 1 15 . 1 1 37 37 GLU CB C 37 29.312 29.312 29.416 -0.104 18325
7051 1 15 . 1 1 37 37 GLU H H 37 8.815 8.815 8.288 0.527 18325
7052 1 15 . 1 1 38 38 HIS N N 38 114.611 114.611 110.964 3.647 18325
7053 1 15 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.924 -0.078 18325
7054 1 15 . 1 1 38 38 HIS C C 38 174.168 174.168 173.937 0.231 18325
7055 1 15 . 1 1 38 38 HIS CA C 38 55.189 55.189 54.320 0.869 18325
7056 1 15 . 1 1 38 38 HIS CB C 38 30.936 30.936 30.169 0.767 18325
7057 1 15 . 1 1 38 38 HIS H H 38 7.661 7.661 7.646 0.015 18325
7058 1 15 . 1 1 39 39 ASN N N 39 117.944 117.944 119.099 -1.155 18325
7059 1 15 . 1 1 39 39 ASN HA H 39 4.900 4.900 4.908 -0.008 18325
7060 1 15 . 1 1 39 39 ASN C C 39 173.626 173.626 175.443 -1.817 18325
7061 1 15 . 1 1 39 39 ASN CA C 39 52.634 52.634 52.435 0.199 18325
7062 1 15 . 1 1 39 39 ASN CB C 39 39.436 39.436 40.524 -1.088 18325
7063 1 15 . 1 1 39 39 ASN H H 39 7.095 7.095 7.418 -0.323 18325
7064 1 15 . 1 1 40 40 ARG N N 40 126.603 126.603 126.151 0.452 18325
7065 1 15 . 1 1 40 40 ARG HA H 40 4.142 4.142 4.235 -0.093 18325
7066 1 15 . 1 1 40 40 ARG C C 40 178.292 178.292 177.050 1.242 18325
7067 1 15 . 1 1 40 40 ARG CA C 40 59.371 59.371 58.903 0.468 18325
7068 1 15 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.932 -0.013 18325
7069 1 15 . 1 1 40 40 ARG H H 40 8.750 8.750 8.874 -0.124 18325
7070 1 15 . 1 1 41 41 ALA N N 41 122.148 122.148 122.378 -0.230 18325
7071 1 15 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.176 0.026 18325
7072 1 15 . 1 1 41 41 ALA C C 41 181.236 181.236 179.163 2.073 18325
7073 1 15 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.806 0.270 18325
7074 1 15 . 1 1 41 41 ALA CB C 41 17.795 17.795 17.988 -0.193 18325
7075 1 15 . 1 1 41 41 ALA H H 41 8.460 8.460 8.433 0.027 18325
7076 1 15 . 1 1 42 42 ALA N N 42 122.394 122.394 118.785 3.609 18325
7077 1 15 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.174 0.050 18325
7078 1 15 . 1 1 42 42 ALA C C 42 178.949 178.949 178.685 0.264 18325
7079 1 15 . 1 1 42 42 ALA CA C 42 54.423 54.423 53.786 0.637 18325
7080 1 15 . 1 1 42 42 ALA CB C 42 19.786 19.786 18.410 1.376 18325
7081 1 15 . 1 1 42 42 ALA H H 42 7.973 7.973 8.416 -0.443 18325
7082 1 15 . 1 1 43 43 ALA N N 43 120.965 120.965 121.686 -0.721 18325
7083 1 15 . 1 1 43 43 ALA HA H 43 3.788 3.788 4.129 -0.341 18325
7084 1 15 . 1 1 43 43 ALA C C 43 179.994 179.994 179.509 0.485 18325
7085 1 15 . 1 1 43 43 ALA CA C 43 56.189 56.189 54.906 1.283 18325
7086 1 15 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.137 -0.104 18325
7087 1 15 . 1 1 43 43 ALA H H 43 8.170 8.170 7.648 0.522 18325
7088 1 15 . 1 1 44 44 GLU N N 44 117.052 117.052 119.180 -2.128 18325
7089 1 15 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.107 -0.154 18325
7090 1 15 . 1 1 44 44 GLU C C 44 179.698 179.698 178.509 1.189 18325
7091 1 15 . 1 1 44 44 GLU CA C 44 58.934 58.934 59.252 -0.319 18325
7092 1 15 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.650 -0.524 18325
7093 1 15 . 1 1 44 44 GLU H H 44 8.240 8.240 8.184 0.056 18325
7094 1 15 . 1 1 45 45 PHE N N 45 122.282 122.282 119.153 3.129 18325
7095 1 15 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.280 -0.048 18325
7096 1 15 . 1 1 45 45 PHE C C 45 177.994 177.994 176.959 1.035 18325
7097 1 15 . 1 1 45 45 PHE CA C 45 61.170 61.170 60.830 0.340 18325
7098 1 15 . 1 1 45 45 PHE CB C 45 38.225 38.225 38.975 -0.750 18325
7099 1 15 . 1 1 45 45 PHE H H 45 8.068 8.068 7.444 0.624 18325
7100 1 15 . 1 1 46 46 VAL N N 46 120.442 120.442 118.811 1.631 18325
7101 1 15 . 1 1 46 46 VAL HA H 46 2.908 2.908 3.278 -0.370 18325
7102 1 15 . 1 1 46 46 VAL C C 46 178.852 178.852 177.859 0.993 18325
7103 1 15 . 1 1 46 46 VAL CA C 46 67.186 67.186 66.405 0.781 18325
7104 1 15 . 1 1 46 46 VAL CB C 46 31.143 31.143 30.993 0.150 18325
7105 1 15 . 1 1 46 46 VAL H H 46 8.363 8.363 7.476 0.887 18325
7106 1 15 . 1 1 47 47 GLY N N 47 105.864 105.864 106.477 -0.613 18325
7107 1 15 . 1 1 47 47 GLY C C 47 176.759 176.759 175.604 1.155 18325
7108 1 15 . 1 1 47 47 GLY CA C 47 46.690 46.690 46.818 -0.128 18325
7109 1 15 . 1 1 47 47 GLY H H 47 8.187 8.187 7.700 0.487 18325
7110 1 15 . 1 1 48 48 SER N N 48 118.796 118.796 116.153 2.643 18325
7111 1 15 . 1 1 48 48 SER HA H 48 4.201 4.201 4.176 0.025 18325
7112 1 15 . 1 1 48 48 SER C C 48 176.571 176.571 176.099 0.472 18325
7113 1 15 . 1 1 48 48 SER CA C 48 61.440 61.440 60.610 0.830 18325
7114 1 15 . 1 1 48 48 SER CB C 48 62.661 62.661 63.073 -0.412 18325
7115 1 15 . 1 1 48 48 SER H H 48 8.045 8.045 7.497 0.548 18325
7116 1 15 . 1 1 49 49 VAL N N 49 114.967 114.967 116.406 -1.439 18325
7117 1 15 . 1 1 49 49 VAL HA H 49 4.356 4.356 3.828 0.528 18325
7118 1 15 . 1 1 49 49 VAL C C 49 175.807 175.807 176.504 -0.697 18325
7119 1 15 . 1 1 49 49 VAL CA C 49 62.064 62.064 63.705 -1.641 18325
7120 1 15 . 1 1 49 49 VAL CB C 49 31.110 31.110 31.567 -0.457 18325
7121 1 15 . 1 1 49 49 VAL H H 49 7.040 7.040 7.179 -0.139 18325
7122 1 15 . 1 1 50 50 ASN N N 50 119.765 119.765 120.110 -0.345 18325
7123 1 15 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.751 0.383 18325
7124 1 15 . 1 1 50 50 ASN C C 50 176.473 176.473 174.503 1.970 18325
7125 1 15 . 1 1 50 50 ASN CA C 50 53.454 53.454 52.623 0.831 18325
7126 1 15 . 1 1 50 50 ASN CB C 50 40.815 40.815 39.806 1.008 18325
7127 1 15 . 1 1 50 50 ASN H H 50 7.364 7.364 8.124 -0.760 18325
7128 1 15 . 1 1 51 51 GLY N N 51 110.407 110.407 109.665 0.742 18325
7129 1 15 . 1 1 51 51 GLY C C 51 174.967 174.967 175.133 -0.166 18325
7130 1 15 . 1 1 51 51 GLY CA C 51 47.543 47.543 45.024 2.519 18325
7131 1 15 . 1 1 51 51 GLY H H 51 8.546 8.546 8.543 0.003 18325
7132 1 15 . 1 1 52 52 GLY N N 52 106.482 106.482 115.302 -8.820 18325
7133 1 15 . 1 1 52 52 GLY C C 52 174.134 174.134 174.756 -0.622 18325
7134 1 15 . 1 1 52 52 GLY CA C 52 44.424 44.424 45.574 -1.150 18325
7135 1 15 . 1 1 52 52 GLY H H 52 8.810 8.810 8.675 0.135 18325
7136 1 15 . 1 1 53 53 ASN N N 53 119.129 119.129 124.583 -5.454 18325
7137 1 15 . 1 1 53 53 ASN HA H 53 4.738 4.738 4.792 -0.054 18325
7138 1 15 . 1 1 53 53 ASN C C 53 174.828 174.828 174.932 -0.104 18325
7139 1 15 . 1 1 53 53 ASN CA C 53 52.654 52.654 52.623 0.031 18325
7140 1 15 . 1 1 53 53 ASN CB C 53 40.237 40.237 38.638 1.599 18325
7141 1 15 . 1 1 53 53 ASN H H 53 7.330 7.330 8.268 -0.938 18325
7142 1 15 . 1 1 54 54 ARG N N 54 125.094 125.094 125.455 -0.361 18325
7143 1 15 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.319 -0.185 18325
7144 1 15 . 1 1 54 54 ARG C C 54 174.863 174.863 175.471 -0.608 18325
7145 1 15 . 1 1 54 54 ARG CA C 54 55.132 55.132 55.966 -0.834 18325
7146 1 15 . 1 1 54 54 ARG CB C 54 27.409 27.409 29.849 -2.440 18325
7147 1 15 . 1 1 54 54 ARG H H 54 8.826 8.826 8.636 0.190 18325
7148 1 15 . 1 1 55 55 THR N N 55 117.920 117.920 119.944 -2.024 18325
7149 1 15 . 1 1 55 55 THR HA H 55 4.020 4.020 4.339 -0.319 18325
7150 1 15 . 1 1 55 55 THR C C 55 172.459 172.459 175.974 -3.515 18325
7151 1 15 . 1 1 55 55 THR CA C 55 63.451 63.451 63.846 -0.395 18325
7152 1 15 . 1 1 55 55 THR CB C 55 69.158 69.158 69.208 -0.050 18325
7153 1 15 . 1 1 55 55 THR H H 55 6.994 6.994 8.144 -1.150 18325
7154 1 15 . 1 1 56 56 VAL N N 56 117.300 117.300 126.945 -9.645 18325
7155 1 15 . 1 1 56 56 VAL HA H 56 4.735 4.735 3.995 0.740 18325
7156 1 15 . 1 1 56 56 VAL CA C 56 56.872 56.872 66.909 -10.037 18325
7157 1 15 . 1 1 56 56 VAL CB C 56 34.378 34.378 30.134 4.244 18325
7158 1 15 . 1 1 56 56 VAL H H 56 8.172 8.172 8.812 -0.640 18325
7159 1 15 . 1 1 57 57 PRO HA H 57 5.350 5.350 4.895 0.455 18325
7160 1 15 . 1 1 57 57 PRO C C 57 176.879 176.879 175.779 1.100 18325
7161 1 15 . 1 1 57 57 PRO CA C 57 62.246 62.246 62.285 -0.039 18325
7162 1 15 . 1 1 57 57 PRO CB C 57 34.293 34.293 29.316 4.977 18325
7163 1 15 . 1 1 58 58 THR N N 58 120.440 120.440 119.311 1.129 18325
7164 1 15 . 1 1 58 58 THR HA H 58 5.042 5.042 5.258 -0.216 18325
7165 1 15 . 1 1 58 58 THR C C 58 172.321 172.321 172.859 -0.538 18325
7166 1 15 . 1 1 58 58 THR CA C 58 63.449 63.449 62.220 1.229 18325
7167 1 15 . 1 1 58 58 THR CB C 58 71.892 71.892 71.914 -0.022 18325
7168 1 15 . 1 1 58 58 THR H H 58 7.948 7.948 8.820 -0.872 18325
7169 1 15 . 1 1 59 59 VAL N N 59 126.444 126.444 124.737 1.707 18325
7170 1 15 . 1 1 59 59 VAL HA H 59 5.095 5.095 5.101 -0.006 18325
7171 1 15 . 1 1 59 59 VAL C C 59 173.176 173.176 173.157 0.019 18325
7172 1 15 . 1 1 59 59 VAL CA C 59 60.133 60.133 59.561 0.572 18325
7173 1 15 . 1 1 59 59 VAL CB C 59 34.117 34.117 36.099 -1.982 18325
7174 1 15 . 1 1 59 59 VAL H H 59 9.428 9.428 9.248 0.180 18325
7175 1 15 . 1 1 60 60 LYS N N 60 126.183 126.183 128.130 -1.947 18325
7176 1 15 . 1 1 60 60 LYS HA H 60 5.379 5.379 4.900 0.479 18325
7177 1 15 . 1 1 60 60 LYS C C 60 175.404 175.404 174.949 0.455 18325
7178 1 15 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.974 -0.363 18325
7179 1 15 . 1 1 60 60 LYS CB C 60 37.601 37.601 34.694 2.907 18325
7180 1 15 . 1 1 60 60 LYS H H 60 9.214 9.214 8.907 0.307 18325
7181 1 15 . 1 1 61 61 PHE N N 61 126.709 126.709 123.737 2.972 18325
7182 1 15 . 1 1 61 61 PHE HA H 61 4.736 4.736 5.678 -0.942 18325
7183 1 15 . 1 1 61 61 PHE C C 61 178.102 178.102 177.168 0.934 18325
7184 1 15 . 1 1 61 61 PHE CA C 61 58.048 58.048 56.207 1.841 18325
7185 1 15 . 1 1 61 61 PHE CB C 61 41.221 41.221 42.735 -1.514 18325
7186 1 15 . 1 1 61 61 PHE H H 61 9.069 9.069 8.505 0.564 18325
7187 1 15 . 1 1 62 62 ALA N N 62 123.358 123.358 124.028 -0.670 18325
7188 1 15 . 1 1 62 62 ALA HA H 62 4.134 4.134 4.134 0.000 18325
7189 1 15 . 1 1 62 62 ALA C C 62 177.754 177.754 177.809 -0.055 18325
7190 1 15 . 1 1 62 62 ALA CA C 62 54.940 54.940 54.121 0.819 18325
7191 1 15 . 1 1 62 62 ALA CB C 62 19.243 19.243 18.401 0.842 18325
7192 1 15 . 1 1 62 62 ALA H H 62 9.728 9.728 8.605 1.123 18325
7193 1 15 . 1 1 63 63 ASP N N 63 113.412 113.412 117.922 -4.510 18325
7194 1 15 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.434 0.152 18325
7195 1 15 . 1 1 63 63 ASP C C 63 177.032 177.032 177.573 -0.541 18325
7196 1 15 . 1 1 63 63 ASP CA C 63 53.141 53.141 54.883 -1.742 18325
7197 1 15 . 1 1 63 63 ASP CB C 63 40.040 40.040 40.903 -0.863 18325
7198 1 15 . 1 1 63 63 ASP H H 63 7.675 7.675 8.130 -0.455 18325
7199 1 15 . 1 1 64 64 GLY N N 64 109.285 109.285 104.940 4.345 18325
7200 1 15 . 1 1 64 64 GLY C C 64 173.680 173.680 174.354 -0.674 18325
7201 1 15 . 1 1 64 64 GLY CA C 64 45.328 45.328 45.102 0.226 18325
7202 1 15 . 1 1 64 64 GLY H H 64 8.361 8.361 7.919 0.442 18325
7203 1 15 . 1 1 65 65 SER N N 65 117.733 117.733 113.625 4.108 18325
7204 1 15 . 1 1 65 65 SER HA H 65 4.567 4.567 4.936 -0.369 18325
7205 1 15 . 1 1 65 65 SER C C 65 173.595 173.595 172.824 0.771 18325
7206 1 15 . 1 1 65 65 SER CA C 65 58.964 58.964 57.169 1.794 18325
7207 1 15 . 1 1 65 65 SER CB C 65 64.637 64.637 64.287 0.350 18325
7208 1 15 . 1 1 65 65 SER H H 65 8.287 8.287 8.007 0.280 18325
7209 1 15 . 1 1 66 66 THR N N 66 106.725 106.725 114.911 -8.186 18325
7210 1 15 . 1 1 66 66 THR HA H 66 6.250 6.250 5.487 0.763 18325
7211 1 15 . 1 1 66 66 THR C C 66 175.730 175.730 173.964 1.766 18325
7212 1 15 . 1 1 66 66 THR CA C 66 59.494 59.494 60.145 -0.651 18325
7213 1 15 . 1 1 66 66 THR CB C 66 73.049 73.049 70.826 2.223 18325
7214 1 15 . 1 1 66 66 THR H H 66 8.221 8.221 8.227 -0.006 18325
7215 1 15 . 1 1 67 67 LEU N N 67 117.517 117.517 125.819 -8.302 18325
7216 1 15 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.877 -0.009 18325
7217 1 15 . 1 1 67 67 LEU C C 67 176.030 176.030 175.775 0.255 18325
7218 1 15 . 1 1 67 67 LEU CA C 67 54.768 54.768 54.592 0.177 18325
7219 1 15 . 1 1 67 67 LEU CB C 67 47.406 47.406 45.290 2.116 18325
7220 1 15 . 1 1 67 67 LEU H H 67 8.763 8.763 9.104 -0.341 18325
7221 1 15 . 1 1 68 68 THR N N 68 120.988 120.988 117.045 3.943 18325
7222 1 15 . 1 1 68 68 THR HA H 68 4.616 4.616 4.819 -0.203 18325
7223 1 15 . 1 1 68 68 THR C C 68 173.201 173.201 173.873 -0.672 18325
7224 1 15 . 1 1 68 68 THR CA C 68 62.802 62.802 61.612 1.190 18325
7225 1 15 . 1 1 68 68 THR CB C 68 69.226 69.226 69.512 -0.286 18325
7226 1 15 . 1 1 68 68 THR H H 68 9.226 9.226 8.153 1.073 18325
7227 1 15 . 1 1 69 69 ASN N N 69 122.679 122.679 121.503 1.176 18325
7228 1 15 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.477 -0.187 18325
7229 1 15 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.830 0.636 18325
7230 1 15 . 1 1 69 69 ASN CB C 69 38.731 38.731 37.312 1.419 18325
7231 1 15 . 1 1 69 69 ASN H H 69 9.097 9.097 8.725 0.372 18325
7232 1 15 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.583 0.286 18325
7233 1 15 . 1 1 70 70 PRO C C 70 177.239 177.239 176.400 0.839 18325
7234 1 15 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.602 0.454 18325
7235 1 15 . 1 1 70 70 PRO CB C 70 32.153 32.153 32.639 -0.486 18325
7236 1 15 . 1 1 71 71 SER N N 71 115.373 115.373 116.813 -1.440 18325
7237 1 15 . 1 1 71 71 SER HA H 71 4.620 4.620 4.606 0.014 18325
7238 1 15 . 1 1 71 71 SER C C 71 175.966 175.966 176.073 -0.107 18325
7239 1 15 . 1 1 71 71 SER CA C 71 56.624 56.624 57.447 -0.823 18325
7240 1 15 . 1 1 71 71 SER CB C 71 65.562 65.562 64.420 1.142 18325
7241 1 15 . 1 1 71 71 SER H H 71 8.932 8.932 9.299 -0.367 18325
7242 1 15 . 1 1 72 72 ALA N N 72 124.008 124.008 126.717 -2.709 18325
7243 1 15 . 1 1 72 72 ALA HA H 72 3.763 3.763 3.961 -0.198 18325
7244 1 15 . 1 1 72 72 ALA C C 72 179.550 179.550 179.512 0.038 18325
7245 1 15 . 1 1 72 72 ALA CA C 72 55.970 55.970 55.600 0.370 18325
7246 1 15 . 1 1 72 72 ALA CB C 72 17.873 17.873 18.401 -0.528 18325
7247 1 15 . 1 1 72 72 ALA H H 72 9.235 9.235 8.864 0.371 18325
7248 1 15 . 1 1 73 73 ASP N N 73 116.584 116.584 117.431 -0.847 18325
7249 1 15 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.337 -0.007 18325
7250 1 15 . 1 1 73 73 ASP C C 73 179.219 179.219 178.393 0.826 18325
7251 1 15 . 1 1 73 73 ASP CA C 73 57.583 57.583 57.537 0.046 18325
7252 1 15 . 1 1 73 73 ASP CB C 73 40.300 40.300 40.730 -0.430 18325
7253 1 15 . 1 1 73 73 ASP H H 73 8.277 8.277 8.858 -0.581 18325
7254 1 15 . 1 1 74 74 GLU N N 74 122.057 122.057 119.890 2.167 18325
7255 1 15 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.044 -0.029 18325
7256 1 15 . 1 1 74 74 GLU C C 74 180.045 180.045 179.209 0.836 18325
7257 1 15 . 1 1 74 74 GLU CA C 74 59.199 59.199 59.143 0.056 18325
7258 1 15 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.724 0.350 18325
7259 1 15 . 1 1 74 74 GLU H H 74 7.925 7.925 7.527 0.398 18325
7260 1 15 . 1 1 75 75 VAL N N 75 120.141 120.141 120.628 -0.487 18325
7261 1 15 . 1 1 75 75 VAL HA H 75 3.681 3.681 3.726 -0.045 18325
7262 1 15 . 1 1 75 75 VAL C C 75 177.008 177.008 178.084 -1.076 18325
7263 1 15 . 1 1 75 75 VAL CA C 75 67.172 67.172 66.803 0.369 18325
7264 1 15 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.702 -0.465 18325
7265 1 15 . 1 1 75 75 VAL H H 75 7.885 7.885 8.229 -0.344 18325
7266 1 15 . 1 1 76 76 LYS N N 76 118.715 118.715 120.048 -1.333 18325
7267 1 15 . 1 1 76 76 LYS HA H 76 3.827 3.827 4.105 -0.278 18325
7268 1 15 . 1 1 76 76 LYS C C 76 178.105 178.105 178.378 -0.273 18325
7269 1 15 . 1 1 76 76 LYS CA C 76 60.397 60.397 58.729 1.668 18325
7270 1 15 . 1 1 76 76 LYS CB C 76 32.405 32.405 31.923 0.482 18325
7271 1 15 . 1 1 76 76 LYS H H 76 8.298 8.298 8.142 0.156 18325
7272 1 15 . 1 1 77 77 ALA N N 77 118.993 118.993 121.825 -2.832 18325
7273 1 15 . 1 1 77 77 ALA HA H 77 4.031 4.031 4.138 -0.107 18325
7274 1 15 . 1 1 77 77 ALA C C 77 180.450 180.450 180.075 0.375 18325
7275 1 15 . 1 1 77 77 ALA CA C 77 54.820 54.820 55.307 -0.487 18325
7276 1 15 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.239 -0.039 18325
7277 1 15 . 1 1 77 77 ALA H H 77 7.985 7.985 8.318 -0.333 18325
7278 1 15 . 1 1 78 78 LYS N N 78 119.952 119.952 118.216 1.736 18325
7279 1 15 . 1 1 78 78 LYS HA H 78 3.975 3.975 3.981 -0.006 18325
7280 1 15 . 1 1 78 78 LYS C C 78 177.949 177.949 178.613 -0.664 18325
7281 1 15 . 1 1 78 78 LYS CA C 78 58.079 58.079 58.150 -0.071 18325
7282 1 15 . 1 1 78 78 LYS CB C 78 31.342 31.342 31.715 -0.373 18325
7283 1 15 . 1 1 78 78 LYS H H 78 7.480 7.480 7.997 -0.517 18325
7284 1 15 . 1 1 79 79 LEU N N 79 118.729 118.729 121.375 -2.646 18325
7285 1 15 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.148 -0.112 18325
7286 1 15 . 1 1 79 79 LEU C C 79 180.234 180.234 178.601 1.633 18325
7287 1 15 . 1 1 79 79 LEU CA C 79 58.096 58.096 58.057 0.039 18325
7288 1 15 . 1 1 79 79 LEU CB C 79 41.776 41.776 41.905 -0.129 18325
7289 1 15 . 1 1 79 79 LEU H H 79 8.075 8.075 7.998 0.077 18325
7290 1 15 . 1 1 80 80 VAL N N 80 118.567 118.567 112.919 5.648 18325
7291 1 15 . 1 1 80 80 VAL HA H 80 3.733 3.733 3.951 -0.218 18325
7292 1 15 . 1 1 80 80 VAL C C 80 178.390 178.390 177.176 1.214 18325
7293 1 15 . 1 1 80 80 VAL CA C 80 65.895 65.895 65.293 0.602 18325
7294 1 15 . 1 1 80 80 VAL CB C 80 31.961 31.961 31.744 0.217 18325
7295 1 15 . 1 1 80 80 VAL H H 80 7.867 7.867 8.264 -0.397 18325
7296 1 15 . 1 1 81 81 LYS N N 81 121.106 121.106 118.771 2.335 18325
7297 1 15 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.191 -0.099 18325
7298 1 15 . 1 1 81 81 LYS C C 81 179.434 179.434 178.875 0.559 18325
7299 1 15 . 1 1 81 81 LYS CA C 81 58.943 58.943 58.537 0.406 18325
7300 1 15 . 1 1 81 81 LYS CB C 81 32.497 32.497 33.038 -0.541 18325
7301 1 15 . 1 1 81 81 LYS H H 81 7.565 7.565 7.415 0.150 18325
7302 1 15 . 1 1 82 82 ILE N N 82 117.365 117.365 115.516 1.849 18325
7303 1 15 . 1 1 82 82 ILE HA H 82 3.953 3.953 4.123 -0.170 18325
7304 1 15 . 1 1 82 82 ILE C C 82 177.482 177.482 177.239 0.243 18325
7305 1 15 . 1 1 82 82 ILE CA C 82 63.598 63.598 62.715 0.882 18325
7306 1 15 . 1 1 82 82 ILE CB C 82 38.372 38.372 37.634 0.738 18325
7307 1 15 . 1 1 82 82 ILE H H 82 8.124 8.124 8.081 0.043 18325
7308 1 15 . 1 1 83 83 ALA N N 83 123.334 123.334 120.511 2.823 18325
7309 1 15 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.685 -0.406 18325
7310 1 15 . 1 1 83 83 ALA C C 83 179.104 179.104 177.162 1.942 18325
7311 1 15 . 1 1 83 83 ALA CA C 83 53.851 53.851 51.606 2.245 18325
7312 1 15 . 1 1 83 83 ALA CB C 83 18.769 18.769 19.362 -0.593 18325
7313 1 15 . 1 1 83 83 ALA H H 83 7.867 7.867 8.370 -0.503 18325
7314 1 15 . 1 1 84 84 GLY N N 84 105.962 105.962 107.262 -1.300 18325
7315 1 15 . 1 1 84 84 GLY C C 84 174.779 174.779 174.963 -0.184 18325
7316 1 15 . 1 1 84 84 GLY CA C 84 45.847 45.847 44.616 1.231 18325
7317 1 15 . 1 1 84 84 GLY H H 84 8.019 8.019 7.372 0.647 18325
7318 1 15 . 1 1 85 85 LEU N N 85 120.702 120.702 121.471 -0.769 18325
7319 1 15 . 1 1 85 85 LEU HA H 85 4.275 4.275 4.220 0.055 18325
7320 1 15 . 1 1 85 85 LEU C C 85 177.609 177.609 177.512 0.097 18325
7321 1 15 . 1 1 85 85 LEU CA C 85 55.511 55.511 57.012 -1.501 18325
7322 1 15 . 1 1 85 85 LEU CB C 85 42.449 42.449 41.926 0.523 18325
7323 1 15 . 1 1 85 85 LEU H H 85 7.727 7.727 8.674 -0.947 18325
7324 1 15 . 1 1 86 86 GLU N N 86 120.386 120.386 115.361 5.025 18325
7325 1 15 . 1 1 86 86 GLU HA H 86 4.154 4.154 4.133 0.021 18325
7326 1 15 . 1 1 86 86 GLU C C 86 176.359 176.359 176.295 0.064 18325
7327 1 15 . 1 1 86 86 GLU CA C 86 56.941 56.941 58.160 -1.219 18325
7328 1 15 . 1 1 86 86 GLU CB C 86 30.180 30.180 29.822 0.358 18325
7329 1 15 . 1 1 86 86 GLU H H 86 8.238 8.238 8.434 -0.196 18325
7330 1 15 . 1 1 87 87 HIS N N 87 119.393 119.393 119.373 0.020 18325
7331 1 15 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.793 -0.203 18325
7332 1 15 . 1 1 87 87 HIS C C 87 174.000 174.000 174.055 -0.055 18325
7333 1 15 . 1 1 87 87 HIS CA C 87 56.146 56.146 55.978 0.168 18325
7334 1 15 . 1 1 87 87 HIS CB C 87 30.335 30.335 29.865 0.470 18325
7335 1 15 . 1 1 87 87 HIS H H 87 8.177 8.177 7.668 0.509 18325
7336 1 16 . 1 1 2 2 VAL HA H 2 4.195 4.195 4.041 0.154 18325
7337 1 16 . 1 1 2 2 VAL C C 2 175.805 175.805 175.610 0.195 18325
7338 1 16 . 1 1 2 2 VAL CA C 2 62.388 62.388 62.792 -0.404 18325
7339 1 16 . 1 1 2 2 VAL CB C 2 32.777 32.777 31.599 1.178 18325
7340 1 16 . 1 1 3 3 THR N N 3 119.229 119.229 122.261 -3.032 18325
7341 1 16 . 1 1 3 3 THR HA H 3 4.259 4.259 4.266 -0.007 18325
7342 1 16 . 1 1 3 3 THR C C 3 173.761 173.761 174.407 -0.646 18325
7343 1 16 . 1 1 3 3 THR CA C 3 61.673 61.673 64.391 -2.718 18325
7344 1 16 . 1 1 3 3 THR CB C 3 69.846 69.846 69.293 0.553 18325
7345 1 16 . 1 1 3 3 THR H H 3 8.256 8.256 7.992 0.264 18325
7346 1 16 . 1 1 4 4 ALA N N 4 126.635 126.635 123.521 3.114 18325
7347 1 16 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.474 -0.320 18325
7348 1 16 . 1 1 4 4 ALA C C 4 177.002 177.002 176.124 0.878 18325
7349 1 16 . 1 1 4 4 ALA CA C 4 52.159 52.159 51.176 0.983 18325
7350 1 16 . 1 1 4 4 ALA CB C 4 19.512 19.512 17.573 1.940 18325
7351 1 16 . 1 1 4 4 ALA H H 4 8.367 8.367 8.000 0.367 18325
7352 1 16 . 1 1 5 5 ALA N N 5 123.621 123.621 123.544 0.077 18325
7353 1 16 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.432 -0.165 18325
7354 1 16 . 1 1 5 5 ALA C C 5 176.288 176.288 176.284 0.004 18325
7355 1 16 . 1 1 5 5 ALA CA C 5 52.894 52.894 53.351 -0.457 18325
7356 1 16 . 1 1 5 5 ALA CB C 5 19.494 19.494 19.967 -0.473 18325
7357 1 16 . 1 1 5 5 ALA H H 5 8.374 8.374 7.874 0.500 18325
7358 1 16 . 1 1 6 6 LEU N N 6 115.731 115.731 111.587 4.144 18325
7359 1 16 . 1 1 6 6 LEU HA H 6 4.648 4.648 5.285 -0.637 18325
7360 1 16 . 1 1 6 6 LEU C C 6 175.007 175.007 174.955 0.052 18325
7361 1 16 . 1 1 6 6 LEU CA C 6 54.263 54.263 52.863 1.400 18325
7362 1 16 . 1 1 6 6 LEU CB C 6 44.224 44.224 44.821 -0.597 18325
7363 1 16 . 1 1 6 6 LEU H H 6 7.478 7.478 7.359 0.119 18325
7364 1 16 . 1 1 7 7 THR N N 7 119.383 119.383 119.880 -0.497 18325
7365 1 16 . 1 1 7 7 THR HA H 7 4.906 4.906 4.988 -0.082 18325
7366 1 16 . 1 1 7 7 THR C C 7 172.657 172.657 173.818 -1.161 18325
7367 1 16 . 1 1 7 7 THR CA C 7 61.586 61.586 62.521 -0.935 18325
7368 1 16 . 1 1 7 7 THR CB C 7 70.917 70.917 69.430 1.487 18325
7369 1 16 . 1 1 7 7 THR H H 7 8.342 8.342 9.105 -0.763 18325
7370 1 16 . 1 1 8 8 ILE N N 8 124.711 124.711 126.888 -2.177 18325
7371 1 16 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.720 -0.145 18325
7372 1 16 . 1 1 8 8 ILE C C 8 172.650 172.650 174.758 -2.108 18325
7373 1 16 . 1 1 8 8 ILE CA C 8 59.206 59.206 59.808 -0.602 18325
7374 1 16 . 1 1 8 8 ILE CB C 8 40.150 40.150 40.681 -0.531 18325
7375 1 16 . 1 1 8 8 ILE H H 8 9.050 9.050 9.088 -0.038 18325
7376 1 16 . 1 1 9 9 TYR N N 9 128.517 128.517 126.840 1.677 18325
7377 1 16 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.640 0.785 18325
7378 1 16 . 1 1 9 9 TYR C C 9 176.445 176.445 175.077 1.368 18325
7379 1 16 . 1 1 9 9 TYR CA C 9 57.397 57.397 58.428 -1.031 18325
7380 1 16 . 1 1 9 9 TYR CB C 9 39.232 39.232 38.406 0.826 18325
7381 1 16 . 1 1 9 9 TYR H H 9 9.094 9.094 8.693 0.401 18325
7382 1 16 . 1 1 10 10 THR N N 10 112.214 112.214 113.618 -1.404 18325
7383 1 16 . 1 1 10 10 THR HA H 10 4.778 4.778 4.671 0.107 18325
7384 1 16 . 1 1 10 10 THR C C 10 173.410 173.410 173.516 -0.106 18325
7385 1 16 . 1 1 10 10 THR CA C 10 59.893 59.893 60.162 -0.269 18325
7386 1 16 . 1 1 10 10 THR CB C 10 72.063 72.063 71.696 0.367 18325
7387 1 16 . 1 1 10 10 THR H H 10 8.824 8.824 8.345 0.479 18325
7388 1 16 . 1 1 11 11 THR N N 11 103.866 103.866 114.938 -11.072 18325
7389 1 16 . 1 1 11 11 THR HA H 11 4.585 4.585 4.677 -0.092 18325
7390 1 16 . 1 1 11 11 THR C C 11 176.335 176.335 174.946 1.389 18325
7391 1 16 . 1 1 11 11 THR CA C 11 60.389 60.389 60.601 -0.212 18325
7392 1 16 . 1 1 11 11 THR CB C 11 72.584 72.584 71.721 0.863 18325
7393 1 16 . 1 1 11 11 THR H H 11 6.667 6.667 7.803 -1.136 18325
7394 1 16 . 1 1 12 12 SER N N 12 116.991 116.991 118.781 -1.790 18325
7395 1 16 . 1 1 12 12 SER HA H 12 4.134 4.134 4.268 -0.134 18325
7396 1 16 . 1 1 12 12 SER C C 12 174.863 174.863 175.306 -0.443 18325
7397 1 16 . 1 1 12 12 SER CA C 12 61.183 61.183 61.011 0.172 18325
7398 1 16 . 1 1 12 12 SER CB C 12 62.845 62.845 63.193 -0.347 18325
7399 1 16 . 1 1 12 12 SER H H 12 9.561 9.561 9.460 0.101 18325
7400 1 16 . 1 1 13 13 TRP N N 13 117.675 117.675 123.389 -5.714 18325
7401 1 16 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.531 0.244 18325
7402 1 16 . 1 1 13 13 TRP C C 13 175.144 175.144 174.427 0.717 18325
7403 1 16 . 1 1 13 13 TRP CA C 13 54.555 54.555 55.904 -1.349 18325
7404 1 16 . 1 1 13 13 TRP CB C 13 28.292 28.292 28.343 -0.051 18325
7405 1 16 . 1 1 13 13 TRP H H 13 6.996 6.996 7.739 -0.743 18325
7406 1 16 . 1 1 14 14 CYS N N 14 120.513 120.513 125.258 -4.745 18325
7407 1 16 . 1 1 14 14 CYS HA H 14 4.498 4.498 4.343 0.155 18325
7408 1 16 . 1 1 14 14 CYS CA C 14 53.859 53.859 58.650 -4.791 18325
7409 1 16 . 1 1 14 14 CYS CB C 14 44.419 44.419 29.564 14.855 18325
7410 1 16 . 1 1 14 14 CYS H H 14 6.755 6.755 7.859 -1.104 18325
7411 1 16 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.527 -0.150 18325
7412 1 16 . 1 1 16 16 TYR C C 16 177.495 177.495 177.346 0.149 18325
7413 1 16 . 1 1 16 16 TYR CA C 16 60.662 60.662 58.191 2.471 18325
7414 1 16 . 1 1 16 16 TYR CB C 16 37.852 37.852 36.567 1.285 18325
7415 1 16 . 1 1 17 17 CYS N N 17 114.160 114.160 117.783 -3.623 18325
7416 1 16 . 1 1 17 17 CYS HA H 17 3.923 3.923 4.388 -0.465 18325
7417 1 16 . 1 1 17 17 CYS C C 17 174.680 174.680 176.654 -1.974 18325
7418 1 16 . 1 1 17 17 CYS CA C 17 65.302 65.302 61.722 3.579 18325
7419 1 16 . 1 1 17 17 CYS CB C 17 33.986 33.986 25.819 8.167 18325
7420 1 16 . 1 1 17 17 CYS H H 17 8.495 8.495 8.295 0.200 18325
7421 1 16 . 1 1 18 18 LEU N N 18 119.295 119.295 121.700 -2.405 18325
7422 1 16 . 1 1 18 18 LEU HA H 18 4.031 4.031 4.109 -0.078 18325
7423 1 16 . 1 1 18 18 LEU C C 18 179.001 179.001 178.335 0.666 18325
7424 1 16 . 1 1 18 18 LEU CA C 18 58.234 58.234 57.655 0.579 18325
7425 1 16 . 1 1 18 18 LEU CB C 18 41.205 41.205 41.675 -0.470 18325
7426 1 16 . 1 1 18 18 LEU H H 18 7.311 7.311 7.592 -0.281 18325
7427 1 16 . 1 1 19 19 ARG N N 19 119.771 119.771 118.579 1.192 18325
7428 1 16 . 1 1 19 19 ARG HA H 19 3.998 3.998 4.034 -0.036 18325
7429 1 16 . 1 1 19 19 ARG C C 19 178.949 178.949 179.098 -0.149 18325
7430 1 16 . 1 1 19 19 ARG CA C 19 59.597 59.597 58.929 0.668 18325
7431 1 16 . 1 1 19 19 ARG CB C 19 30.006 30.006 29.465 0.541 18325
7432 1 16 . 1 1 19 19 ARG H H 19 7.469 7.469 7.720 -0.251 18325
7433 1 16 . 1 1 20 20 LEU N N 20 120.802 120.802 120.478 0.324 18325
7434 1 16 . 1 1 20 20 LEU HA H 20 4.097 4.097 4.264 -0.167 18325
7435 1 16 . 1 1 20 20 LEU C C 20 177.928 177.928 177.750 0.178 18325
7436 1 16 . 1 1 20 20 LEU CA C 20 57.757 57.757 57.130 0.627 18325
7437 1 16 . 1 1 20 20 LEU CB C 20 40.940 40.940 41.952 -1.012 18325
7438 1 16 . 1 1 20 20 LEU H H 20 8.150 8.150 7.358 0.792 18325
7439 1 16 . 1 1 21 21 LYS N N 21 117.910 117.910 119.784 -1.874 18325
7440 1 16 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.639 -0.359 18325
7441 1 16 . 1 1 21 21 LYS C C 21 178.851 178.851 178.872 -0.021 18325
7442 1 16 . 1 1 21 21 LYS CA C 21 61.353 61.353 60.277 1.076 18325
7443 1 16 . 1 1 21 21 LYS CB C 21 31.698 31.698 32.176 -0.478 18325
7444 1 16 . 1 1 21 21 LYS H H 21 7.854 7.854 8.093 -0.239 18325
7445 1 16 . 1 1 22 22 THR N N 22 115.451 115.451 114.064 1.387 18325
7446 1 16 . 1 1 22 22 THR HA H 22 3.889 3.889 4.117 -0.228 18325
7447 1 16 . 1 1 22 22 THR C C 22 176.571 176.571 175.821 0.750 18325
7448 1 16 . 1 1 22 22 THR CA C 22 66.849 66.849 66.179 0.670 18325
7449 1 16 . 1 1 22 22 THR CB C 22 68.793 68.793 68.606 0.188 18325
7450 1 16 . 1 1 22 22 THR H H 22 8.125 8.125 8.359 -0.234 18325
7451 1 16 . 1 1 23 23 ALA N N 23 125.218 125.218 124.194 1.024 18325
7452 1 16 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.144 0.130 18325
7453 1 16 . 1 1 23 23 ALA C C 23 180.948 180.948 179.957 0.991 18325
7454 1 16 . 1 1 23 23 ALA CA C 23 55.003 55.003 55.121 -0.118 18325
7455 1 16 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.143 0.699 18325
7456 1 16 . 1 1 23 23 ALA H H 23 7.892 7.892 7.433 0.459 18325
7457 1 16 . 1 1 24 24 LEU N N 24 120.007 120.007 117.707 2.300 18325
7458 1 16 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.992 0.026 18325
7459 1 16 . 1 1 24 24 LEU C C 24 179.738 179.738 179.296 0.442 18325
7460 1 16 . 1 1 24 24 LEU CA C 24 58.807 58.807 57.900 0.907 18325
7461 1 16 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.660 -1.846 18325
7462 1 16 . 1 1 24 24 LEU H H 24 8.775 8.775 8.563 0.212 18325
7463 1 16 . 1 1 25 25 THR N N 25 118.777 118.777 116.264 2.513 18325
7464 1 16 . 1 1 25 25 THR HA H 25 4.175 4.175 4.206 -0.031 18325
7465 1 16 . 1 1 25 25 THR C C 25 178.539 178.539 177.151 1.388 18325
7466 1 16 . 1 1 25 25 THR CA C 25 67.138 67.138 66.691 0.447 18325
7467 1 16 . 1 1 25 25 THR CB C 25 68.679 68.679 68.562 0.117 18325
7468 1 16 . 1 1 25 25 THR H H 25 8.636 8.636 8.017 0.619 18325
7469 1 16 . 1 1 26 26 ALA N N 26 126.122 126.122 123.521 2.601 18325
7470 1 16 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.218 -0.030 18325
7471 1 16 . 1 1 26 26 ALA C C 26 178.536 178.536 178.500 0.036 18325
7472 1 16 . 1 1 26 26 ALA CA C 26 55.134 55.134 54.525 0.609 18325
7473 1 16 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.210 -0.323 18325
7474 1 16 . 1 1 26 26 ALA H H 26 8.357 8.357 8.169 0.188 18325
7475 1 16 . 1 1 27 27 ASN N N 27 114.755 114.755 114.605 0.150 18325
7476 1 16 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.790 -0.093 18325
7477 1 16 . 1 1 27 27 ASN C C 27 172.751 172.751 175.052 -2.301 18325
7478 1 16 . 1 1 27 27 ASN CA C 27 53.712 53.712 53.272 0.440 18325
7479 1 16 . 1 1 27 27 ASN CB C 27 40.648 40.648 39.176 1.472 18325
7480 1 16 . 1 1 27 27 ASN H H 27 7.456 7.456 7.666 -0.210 18325
7481 1 16 . 1 1 28 28 ARG N N 28 115.444 115.444 114.941 0.503 18325
7482 1 16 . 1 1 28 28 ARG HA H 28 3.934 3.934 3.927 0.007 18325
7483 1 16 . 1 1 28 28 ARG C C 28 175.075 175.075 174.749 0.326 18325
7484 1 16 . 1 1 28 28 ARG CA C 28 57.091 57.091 57.331 -0.240 18325
7485 1 16 . 1 1 28 28 ARG CB C 28 26.393 26.393 27.404 -1.010 18325
7486 1 16 . 1 1 28 28 ARG H H 28 8.183 8.183 7.828 0.355 18325
7487 1 16 . 1 1 29 29 ILE N N 29 120.976 120.976 119.615 1.361 18325
7488 1 16 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.142 -0.063 18325
7489 1 16 . 1 1 29 29 ILE C C 29 175.050 175.050 175.184 -0.134 18325
7490 1 16 . 1 1 29 29 ILE CA C 29 60.664 60.664 61.205 -0.541 18325
7491 1 16 . 1 1 29 29 ILE CB C 29 38.695 38.695 38.227 0.468 18325
7492 1 16 . 1 1 29 29 ILE H H 29 8.004 8.004 8.216 -0.212 18325
7493 1 16 . 1 1 30 30 ALA N N 30 131.099 131.099 131.258 -0.159 18325
7494 1 16 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.413 -0.245 18325
7495 1 16 . 1 1 30 30 ALA C C 30 176.360 176.360 175.678 0.682 18325
7496 1 16 . 1 1 30 30 ALA CA C 30 51.819 51.819 51.625 0.194 18325
7497 1 16 . 1 1 30 30 ALA CB C 30 19.641 19.641 19.817 -0.176 18325
7498 1 16 . 1 1 30 30 ALA H H 30 8.329 8.329 8.460 -0.131 18325
7499 1 16 . 1 1 31 31 TYR N N 31 114.363 114.363 119.443 -5.080 18325
7500 1 16 . 1 1 31 31 TYR HA H 31 5.133 5.133 5.322 -0.189 18325
7501 1 16 . 1 1 31 31 TYR C C 31 173.470 173.470 173.491 -0.021 18325
7502 1 16 . 1 1 31 31 TYR CA C 31 55.522 55.522 55.387 0.135 18325
7503 1 16 . 1 1 31 31 TYR CB C 31 41.184 41.184 40.867 0.317 18325
7504 1 16 . 1 1 31 31 TYR H H 31 7.509 7.509 7.739 -0.230 18325
7505 1 16 . 1 1 32 32 ASP N N 32 120.754 120.754 121.015 -0.261 18325
7506 1 16 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.967 -0.041 18325
7507 1 16 . 1 1 32 32 ASP C C 32 174.611 174.611 174.792 -0.181 18325
7508 1 16 . 1 1 32 32 ASP CA C 32 52.875 52.875 52.459 0.416 18325
7509 1 16 . 1 1 32 32 ASP CB C 32 42.843 42.843 44.468 -1.625 18325
7510 1 16 . 1 1 32 32 ASP H H 32 8.517 8.517 8.576 -0.059 18325
7511 1 16 . 1 1 33 33 GLU N N 33 124.650 124.650 122.297 2.353 18325
7512 1 16 . 1 1 33 33 GLU HA H 33 5.205 5.205 5.347 -0.142 18325
7513 1 16 . 1 1 33 33 GLU C C 33 175.049 175.049 175.724 -0.675 18325
7514 1 16 . 1 1 33 33 GLU CA C 33 54.489 54.489 54.712 -0.223 18325
7515 1 16 . 1 1 33 33 GLU CB C 33 32.425 32.425 31.551 0.874 18325
7516 1 16 . 1 1 33 33 GLU H H 33 8.836 8.836 8.475 0.361 18325
7517 1 16 . 1 1 34 34 VAL N N 34 128.112 128.112 122.513 5.599 18325
7518 1 16 . 1 1 34 34 VAL HA H 34 4.062 4.062 4.028 0.034 18325
7519 1 16 . 1 1 34 34 VAL C C 34 173.620 173.620 177.494 -3.874 18325
7520 1 16 . 1 1 34 34 VAL CA C 34 61.427 61.427 61.660 -0.233 18325
7521 1 16 . 1 1 34 34 VAL CB C 34 34.690 34.690 32.491 2.199 18325
7522 1 16 . 1 1 34 34 VAL H H 34 8.615 8.615 8.254 0.361 18325
7523 1 16 . 1 1 35 35 ASP N N 35 127.319 127.319 124.004 3.315 18325
7524 1 16 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.371 0.566 18325
7525 1 16 . 1 1 35 35 ASP C C 35 179.260 179.260 177.895 1.365 18325
7526 1 16 . 1 1 35 35 ASP CA C 35 61.428 61.428 56.347 5.081 18325
7527 1 16 . 1 1 35 35 ASP CB C 35 41.858 41.858 40.194 1.664 18325
7528 1 16 . 1 1 35 35 ASP H H 35 8.458 8.458 8.819 -0.361 18325
7529 1 16 . 1 1 36 36 ILE N N 36 119.537 119.537 116.165 3.372 18325
7530 1 16 . 1 1 36 36 ILE HA H 36 4.360 4.360 4.160 0.200 18325
7531 1 16 . 1 1 36 36 ILE C C 36 176.943 176.943 176.814 0.129 18325
7532 1 16 . 1 1 36 36 ILE CA C 36 63.681 63.681 63.743 -0.062 18325
7533 1 16 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.331 0.306 18325
7534 1 16 . 1 1 36 36 ILE H H 36 8.833 8.833 7.830 1.003 18325
7535 1 16 . 1 1 37 37 GLU N N 37 122.074 122.074 118.990 3.084 18325
7536 1 16 . 1 1 37 37 GLU HA H 37 4.131 4.131 4.108 0.023 18325
7537 1 16 . 1 1 37 37 GLU C C 37 177.224 177.224 177.839 -0.615 18325
7538 1 16 . 1 1 37 37 GLU CA C 37 58.503 58.503 58.478 0.025 18325
7539 1 16 . 1 1 37 37 GLU CB C 37 29.312 29.312 29.898 -0.585 18325
7540 1 16 . 1 1 37 37 GLU H H 37 8.815 8.815 8.385 0.430 18325
7541 1 16 . 1 1 38 38 HIS N N 38 114.611 114.611 114.432 0.179 18325
7542 1 16 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.746 0.100 18325
7543 1 16 . 1 1 38 38 HIS C C 38 174.168 174.168 174.873 -0.705 18325
7544 1 16 . 1 1 38 38 HIS CA C 38 55.189 55.189 56.869 -1.680 18325
7545 1 16 . 1 1 38 38 HIS CB C 38 30.936 30.936 32.059 -1.123 18325
7546 1 16 . 1 1 38 38 HIS H H 38 7.661 7.661 8.358 -0.697 18325
7547 1 16 . 1 1 39 39 ASN N N 39 117.944 117.944 118.774 -0.830 18325
7548 1 16 . 1 1 39 39 ASN HA H 39 4.900 4.900 4.908 -0.008 18325
7549 1 16 . 1 1 39 39 ASN C C 39 173.626 173.626 175.402 -1.776 18325
7550 1 16 . 1 1 39 39 ASN CA C 39 52.634 52.634 51.548 1.086 18325
7551 1 16 . 1 1 39 39 ASN CB C 39 39.436 39.436 39.471 -0.035 18325
7552 1 16 . 1 1 39 39 ASN H H 39 7.095 7.095 8.204 -1.109 18325
7553 1 16 . 1 1 40 40 ARG N N 40 126.603 126.603 126.999 -0.396 18325
7554 1 16 . 1 1 40 40 ARG HA H 40 4.142 4.142 4.246 -0.104 18325
7555 1 16 . 1 1 40 40 ARG C C 40 178.292 178.292 177.260 1.032 18325
7556 1 16 . 1 1 40 40 ARG CA C 40 59.371 59.371 58.890 0.481 18325
7557 1 16 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.759 0.160 18325
7558 1 16 . 1 1 40 40 ARG H H 40 8.750 8.750 8.941 -0.191 18325
7559 1 16 . 1 1 41 41 ALA N N 41 122.148 122.148 122.741 -0.593 18325
7560 1 16 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.181 0.021 18325
7561 1 16 . 1 1 41 41 ALA C C 41 181.236 181.236 179.070 2.166 18325
7562 1 16 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.890 0.186 18325
7563 1 16 . 1 1 41 41 ALA CB C 41 17.795 17.795 18.084 -0.289 18325
7564 1 16 . 1 1 41 41 ALA H H 41 8.460 8.460 8.510 -0.050 18325
7565 1 16 . 1 1 42 42 ALA N N 42 122.394 122.394 118.877 3.517 18325
7566 1 16 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.261 -0.037 18325
7567 1 16 . 1 1 42 42 ALA C C 42 178.949 178.949 178.830 0.119 18325
7568 1 16 . 1 1 42 42 ALA CA C 42 54.423 54.423 53.786 0.637 18325
7569 1 16 . 1 1 42 42 ALA CB C 42 19.786 19.786 18.668 1.118 18325
7570 1 16 . 1 1 42 42 ALA H H 42 7.973 7.973 8.157 -0.184 18325
7571 1 16 . 1 1 43 43 ALA N N 43 120.965 120.965 122.433 -1.468 18325
7572 1 16 . 1 1 43 43 ALA HA H 43 3.788 3.788 4.014 -0.226 18325
7573 1 16 . 1 1 43 43 ALA C C 43 179.994 179.994 179.377 0.617 18325
7574 1 16 . 1 1 43 43 ALA CA C 43 56.189 56.189 55.015 1.174 18325
7575 1 16 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.455 -0.422 18325
7576 1 16 . 1 1 43 43 ALA H H 43 8.170 8.170 7.632 0.538 18325
7577 1 16 . 1 1 44 44 GLU N N 44 117.052 117.052 117.761 -0.709 18325
7578 1 16 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.132 -0.179 18325
7579 1 16 . 1 1 44 44 GLU C C 44 179.698 179.698 178.727 0.971 18325
7580 1 16 . 1 1 44 44 GLU CA C 44 58.934 58.934 58.197 0.737 18325
7581 1 16 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.164 -0.038 18325
7582 1 16 . 1 1 44 44 GLU H H 44 8.240 8.240 8.483 -0.243 18325
7583 1 16 . 1 1 45 45 PHE N N 45 122.282 122.282 120.547 1.735 18325
7584 1 16 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.258 -0.026 18325
7585 1 16 . 1 1 45 45 PHE C C 45 177.994 177.994 176.783 1.211 18325
7586 1 16 . 1 1 45 45 PHE CA C 45 61.170 61.170 61.130 0.040 18325
7587 1 16 . 1 1 45 45 PHE CB C 45 38.225 38.225 39.087 -0.862 18325
7588 1 16 . 1 1 45 45 PHE H H 45 8.068 8.068 7.556 0.512 18325
7589 1 16 . 1 1 46 46 VAL N N 46 120.442 120.442 118.166 2.276 18325
7590 1 16 . 1 1 46 46 VAL HA H 46 2.908 2.908 3.208 -0.300 18325
7591 1 16 . 1 1 46 46 VAL C C 46 178.852 178.852 177.683 1.169 18325
7592 1 16 . 1 1 46 46 VAL CA C 46 67.186 67.186 65.906 1.280 18325
7593 1 16 . 1 1 46 46 VAL CB C 46 31.143 31.143 31.145 -0.002 18325
7594 1 16 . 1 1 46 46 VAL H H 46 8.363 8.363 7.210 1.153 18325
7595 1 16 . 1 1 47 47 GLY N N 47 105.864 105.864 105.891 -0.027 18325
7596 1 16 . 1 1 47 47 GLY C C 47 176.759 176.759 175.297 1.462 18325
7597 1 16 . 1 1 47 47 GLY CA C 47 46.690 46.690 46.688 0.002 18325
7598 1 16 . 1 1 47 47 GLY H H 47 8.187 8.187 7.655 0.532 18325
7599 1 16 . 1 1 48 48 SER N N 48 118.796 118.796 115.356 3.440 18325
7600 1 16 . 1 1 48 48 SER HA H 48 4.201 4.201 4.300 -0.099 18325
7601 1 16 . 1 1 48 48 SER C C 48 176.571 176.571 176.052 0.519 18325
7602 1 16 . 1 1 48 48 SER CA C 48 61.440 61.440 60.084 1.356 18325
7603 1 16 . 1 1 48 48 SER CB C 48 62.661 62.661 63.352 -0.691 18325
7604 1 16 . 1 1 48 48 SER H H 48 8.045 8.045 7.458 0.587 18325
7605 1 16 . 1 1 49 49 VAL N N 49 114.967 114.967 116.317 -1.350 18325
7606 1 16 . 1 1 49 49 VAL HA H 49 4.356 4.356 3.921 0.435 18325
7607 1 16 . 1 1 49 49 VAL C C 49 175.807 175.807 176.367 -0.560 18325
7608 1 16 . 1 1 49 49 VAL CA C 49 62.064 62.064 62.883 -0.819 18325
7609 1 16 . 1 1 49 49 VAL CB C 49 31.110 31.110 31.801 -0.691 18325
7610 1 16 . 1 1 49 49 VAL H H 49 7.040 7.040 7.405 -0.365 18325
7611 1 16 . 1 1 50 50 ASN N N 50 119.765 119.765 119.038 0.727 18325
7612 1 16 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.847 0.287 18325
7613 1 16 . 1 1 50 50 ASN C C 50 176.473 176.473 174.565 1.908 18325
7614 1 16 . 1 1 50 50 ASN CA C 50 53.454 53.454 52.486 0.968 18325
7615 1 16 . 1 1 50 50 ASN CB C 50 40.815 40.815 40.397 0.418 18325
7616 1 16 . 1 1 50 50 ASN H H 50 7.364 7.364 7.872 -0.508 18325
7617 1 16 . 1 1 51 51 GLY N N 51 110.407 110.407 106.759 3.648 18325
7618 1 16 . 1 1 51 51 GLY C C 51 174.967 174.967 174.122 0.845 18325
7619 1 16 . 1 1 51 51 GLY CA C 51 47.543 47.543 44.314 3.229 18325
7620 1 16 . 1 1 51 51 GLY H H 51 8.546 8.546 8.395 0.151 18325
7621 1 16 . 1 1 52 52 GLY N N 52 106.482 106.482 111.878 -5.396 18325
7622 1 16 . 1 1 52 52 GLY C C 52 174.134 174.134 174.520 -0.386 18325
7623 1 16 . 1 1 52 52 GLY CA C 52 44.424 44.424 45.503 -1.079 18325
7624 1 16 . 1 1 52 52 GLY H H 52 8.810 8.810 8.458 0.352 18325
7625 1 16 . 1 1 53 53 ASN N N 53 119.129 119.129 123.186 -4.057 18325
7626 1 16 . 1 1 53 53 ASN HA H 53 4.738 4.738 4.794 -0.056 18325
7627 1 16 . 1 1 53 53 ASN C C 53 174.828 174.828 175.341 -0.513 18325
7628 1 16 . 1 1 53 53 ASN CA C 53 52.654 52.654 52.260 0.394 18325
7629 1 16 . 1 1 53 53 ASN CB C 53 40.237 40.237 39.697 0.540 18325
7630 1 16 . 1 1 53 53 ASN H H 53 7.330 7.330 8.532 -1.202 18325
7631 1 16 . 1 1 54 54 ARG N N 54 125.094 125.094 124.211 0.883 18325
7632 1 16 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.232 -0.098 18325
7633 1 16 . 1 1 54 54 ARG C C 54 174.863 174.863 175.521 -0.658 18325
7634 1 16 . 1 1 54 54 ARG CA C 54 55.132 55.132 56.384 -1.252 18325
7635 1 16 . 1 1 54 54 ARG CB C 54 27.409 27.409 29.718 -2.308 18325
7636 1 16 . 1 1 54 54 ARG H H 54 8.826 8.826 8.668 0.158 18325
7637 1 16 . 1 1 55 55 THR N N 55 117.920 117.920 121.783 -3.863 18325
7638 1 16 . 1 1 55 55 THR HA H 55 4.020 4.020 4.218 -0.198 18325
7639 1 16 . 1 1 55 55 THR C C 55 172.459 172.459 175.097 -2.638 18325
7640 1 16 . 1 1 55 55 THR CA C 55 63.451 63.451 63.289 0.162 18325
7641 1 16 . 1 1 55 55 THR CB C 55 69.158 69.158 69.016 0.142 18325
7642 1 16 . 1 1 55 55 THR H H 55 6.994 6.994 8.118 -1.124 18325
7643 1 16 . 1 1 56 56 VAL N N 56 117.300 117.300 125.914 -8.614 18325
7644 1 16 . 1 1 56 56 VAL HA H 56 4.735 4.735 4.039 0.696 18325
7645 1 16 . 1 1 56 56 VAL CA C 56 56.872 56.872 65.279 -8.407 18325
7646 1 16 . 1 1 56 56 VAL CB C 56 34.378 34.378 29.327 5.051 18325
7647 1 16 . 1 1 56 56 VAL H H 56 8.172 8.172 8.681 -0.509 18325
7648 1 16 . 1 1 57 57 PRO HA H 57 5.350 5.350 4.991 0.359 18325
7649 1 16 . 1 1 57 57 PRO C C 57 176.879 176.879 175.907 0.972 18325
7650 1 16 . 1 1 57 57 PRO CA C 57 62.246 62.246 62.516 -0.270 18325
7651 1 16 . 1 1 57 57 PRO CB C 57 34.293 34.293 29.483 4.810 18325
7652 1 16 . 1 1 58 58 THR N N 58 120.440 120.440 119.878 0.562 18325
7653 1 16 . 1 1 58 58 THR HA H 58 5.042 5.042 4.994 0.048 18325
7654 1 16 . 1 1 58 58 THR C C 58 172.321 172.321 173.106 -0.785 18325
7655 1 16 . 1 1 58 58 THR CA C 58 63.449 63.449 62.190 1.259 18325
7656 1 16 . 1 1 58 58 THR CB C 58 71.892 71.892 71.193 0.699 18325
7657 1 16 . 1 1 58 58 THR H H 58 7.948 7.948 8.863 -0.915 18325
7658 1 16 . 1 1 59 59 VAL N N 59 126.444 126.444 127.419 -0.975 18325
7659 1 16 . 1 1 59 59 VAL HA H 59 5.095 5.095 4.642 0.453 18325
7660 1 16 . 1 1 59 59 VAL C C 59 173.176 173.176 173.376 -0.200 18325
7661 1 16 . 1 1 59 59 VAL CA C 59 60.133 60.133 59.794 0.339 18325
7662 1 16 . 1 1 59 59 VAL CB C 59 34.117 34.117 33.855 0.262 18325
7663 1 16 . 1 1 59 59 VAL H H 59 9.428 9.428 9.264 0.164 18325
7664 1 16 . 1 1 60 60 LYS N N 60 126.183 126.183 130.708 -4.525 18325
7665 1 16 . 1 1 60 60 LYS HA H 60 5.379 5.379 4.989 0.390 18325
7666 1 16 . 1 1 60 60 LYS C C 60 175.404 175.404 175.445 -0.041 18325
7667 1 16 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.685 -0.074 18325
7668 1 16 . 1 1 60 60 LYS CB C 60 37.601 37.601 33.831 3.770 18325
7669 1 16 . 1 1 60 60 LYS H H 60 9.214 9.214 9.086 0.128 18325
7670 1 16 . 1 1 61 61 PHE N N 61 126.709 126.709 125.001 1.708 18325
7671 1 16 . 1 1 61 61 PHE HA H 61 4.736 4.736 4.833 -0.097 18325
7672 1 16 . 1 1 61 61 PHE C C 61 178.102 178.102 177.381 0.721 18325
7673 1 16 . 1 1 61 61 PHE CA C 61 58.048 58.048 58.472 -0.424 18325
7674 1 16 . 1 1 61 61 PHE CB C 61 41.221 41.221 40.259 0.962 18325
7675 1 16 . 1 1 61 61 PHE H H 61 9.069 9.069 9.440 -0.371 18325
7676 1 16 . 1 1 62 62 ALA N N 62 123.358 123.358 124.694 -1.336 18325
7677 1 16 . 1 1 62 62 ALA HA H 62 4.134 4.134 4.063 0.071 18325
7678 1 16 . 1 1 62 62 ALA C C 62 177.754 177.754 177.683 0.071 18325
7679 1 16 . 1 1 62 62 ALA CA C 62 54.940 54.940 54.859 0.081 18325
7680 1 16 . 1 1 62 62 ALA CB C 62 19.243 19.243 18.606 0.637 18325
7681 1 16 . 1 1 62 62 ALA H H 62 9.728 9.728 8.676 1.052 18325
7682 1 16 . 1 1 63 63 ASP N N 63 113.412 113.412 115.716 -2.304 18325
7683 1 16 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.532 0.054 18325
7684 1 16 . 1 1 63 63 ASP C C 63 177.032 177.032 177.126 -0.094 18325
7685 1 16 . 1 1 63 63 ASP CA C 63 53.141 53.141 54.245 -1.104 18325
7686 1 16 . 1 1 63 63 ASP CB C 63 40.040 40.040 40.931 -0.891 18325
7687 1 16 . 1 1 63 63 ASP H H 63 7.675 7.675 8.041 -0.366 18325
7688 1 16 . 1 1 64 64 GLY N N 64 109.285 109.285 108.702 0.583 18325
7689 1 16 . 1 1 64 64 GLY C C 64 173.680 173.680 174.206 -0.526 18325
7690 1 16 . 1 1 64 64 GLY CA C 64 45.328 45.328 44.734 0.594 18325
7691 1 16 . 1 1 64 64 GLY H H 64 8.361 8.361 8.282 0.079 18325
7692 1 16 . 1 1 65 65 SER N N 65 117.733 117.733 117.403 0.330 18325
7693 1 16 . 1 1 65 65 SER HA H 65 4.567 4.567 4.638 -0.071 18325
7694 1 16 . 1 1 65 65 SER C C 65 173.595 173.595 173.390 0.205 18325
7695 1 16 . 1 1 65 65 SER CA C 65 58.964 58.964 58.235 0.729 18325
7696 1 16 . 1 1 65 65 SER CB C 65 64.637 64.637 64.091 0.546 18325
7697 1 16 . 1 1 65 65 SER H H 65 8.287 8.287 8.243 0.044 18325
7698 1 16 . 1 1 66 66 THR N N 66 106.725 106.725 122.129 -15.404 18325
7699 1 16 . 1 1 66 66 THR HA H 66 6.250 6.250 5.472 0.778 18325
7700 1 16 . 1 1 66 66 THR C C 66 175.730 175.730 174.076 1.654 18325
7701 1 16 . 1 1 66 66 THR CA C 66 59.494 59.494 61.515 -2.021 18325
7702 1 16 . 1 1 66 66 THR CB C 66 73.049 73.049 70.899 2.150 18325
7703 1 16 . 1 1 66 66 THR H H 66 8.221 8.221 8.332 -0.111 18325
7704 1 16 . 1 1 67 67 LEU N N 67 117.517 117.517 126.569 -9.052 18325
7705 1 16 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.749 0.119 18325
7706 1 16 . 1 1 67 67 LEU C C 67 176.030 176.030 175.950 0.080 18325
7707 1 16 . 1 1 67 67 LEU CA C 67 54.768 54.768 53.778 0.990 18325
7708 1 16 . 1 1 67 67 LEU CB C 67 47.406 47.406 45.886 1.520 18325
7709 1 16 . 1 1 67 67 LEU H H 67 8.763 8.763 9.377 -0.614 18325
7710 1 16 . 1 1 68 68 THR N N 68 120.988 120.988 119.256 1.732 18325
7711 1 16 . 1 1 68 68 THR HA H 68 4.616 4.616 4.530 0.086 18325
7712 1 16 . 1 1 68 68 THR C C 68 173.201 173.201 174.164 -0.963 18325
7713 1 16 . 1 1 68 68 THR CA C 68 62.802 62.802 61.855 0.946 18325
7714 1 16 . 1 1 68 68 THR CB C 68 69.226 69.226 68.903 0.323 18325
7715 1 16 . 1 1 68 68 THR H H 68 9.226 9.226 8.614 0.612 18325
7716 1 16 . 1 1 69 69 ASN N N 69 122.679 122.679 123.692 -1.013 18325
7717 1 16 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.393 -0.103 18325
7718 1 16 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.527 0.939 18325
7719 1 16 . 1 1 69 69 ASN CB C 69 38.731 38.731 36.718 2.013 18325
7720 1 16 . 1 1 69 69 ASN H H 69 9.097 9.097 8.265 0.832 18325
7721 1 16 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.805 0.064 18325
7722 1 16 . 1 1 70 70 PRO C C 70 177.239 177.239 175.309 1.930 18325
7723 1 16 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.204 0.853 18325
7724 1 16 . 1 1 70 70 PRO CB C 70 32.153 32.153 33.396 -1.243 18325
7725 1 16 . 1 1 71 71 SER N N 71 115.373 115.373 113.464 1.909 18325
7726 1 16 . 1 1 71 71 SER HA H 71 4.620 4.620 4.594 0.026 18325
7727 1 16 . 1 1 71 71 SER C C 71 175.966 175.966 175.366 0.600 18325
7728 1 16 . 1 1 71 71 SER CA C 71 56.624 56.624 57.430 -0.806 18325
7729 1 16 . 1 1 71 71 SER CB C 71 65.562 65.562 65.705 -0.143 18325
7730 1 16 . 1 1 71 71 SER H H 71 8.932 8.932 8.062 0.870 18325
7731 1 16 . 1 1 72 72 ALA N N 72 124.008 124.008 125.325 -1.317 18325
7732 1 16 . 1 1 72 72 ALA HA H 72 3.763 3.763 4.075 -0.312 18325
7733 1 16 . 1 1 72 72 ALA C C 72 179.550 179.550 179.193 0.357 18325
7734 1 16 . 1 1 72 72 ALA CA C 72 55.970 55.970 55.851 0.119 18325
7735 1 16 . 1 1 72 72 ALA CB C 72 17.873 17.873 18.428 -0.555 18325
7736 1 16 . 1 1 72 72 ALA H H 72 9.235 9.235 8.848 0.387 18325
7737 1 16 . 1 1 73 73 ASP N N 73 116.584 116.584 117.795 -1.211 18325
7738 1 16 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.322 0.008 18325
7739 1 16 . 1 1 73 73 ASP C C 73 179.219 179.219 178.360 0.859 18325
7740 1 16 . 1 1 73 73 ASP CA C 73 57.583 57.583 58.273 -0.690 18325
7741 1 16 . 1 1 73 73 ASP CB C 73 40.300 40.300 40.157 0.143 18325
7742 1 16 . 1 1 73 73 ASP H H 73 8.277 8.277 8.766 -0.489 18325
7743 1 16 . 1 1 74 74 GLU N N 74 122.057 122.057 119.979 2.078 18325
7744 1 16 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.099 -0.084 18325
7745 1 16 . 1 1 74 74 GLU C C 74 180.045 180.045 179.041 1.004 18325
7746 1 16 . 1 1 74 74 GLU CA C 74 59.199 59.199 59.218 -0.019 18325
7747 1 16 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.249 0.825 18325
7748 1 16 . 1 1 74 74 GLU H H 74 7.925 7.925 7.551 0.374 18325
7749 1 16 . 1 1 75 75 VAL N N 75 120.141 120.141 120.067 0.074 18325
7750 1 16 . 1 1 75 75 VAL HA H 75 3.681 3.681 3.942 -0.261 18325
7751 1 16 . 1 1 75 75 VAL C C 75 177.008 177.008 178.121 -1.113 18325
7752 1 16 . 1 1 75 75 VAL CA C 75 67.172 67.172 66.412 0.760 18325
7753 1 16 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.094 0.143 18325
7754 1 16 . 1 1 75 75 VAL H H 75 7.885 7.885 8.158 -0.273 18325
7755 1 16 . 1 1 76 76 LYS N N 76 118.715 118.715 120.784 -2.069 18325
7756 1 16 . 1 1 76 76 LYS HA H 76 3.827 3.827 3.943 -0.116 18325
7757 1 16 . 1 1 76 76 LYS C C 76 178.105 178.105 178.496 -0.391 18325
7758 1 16 . 1 1 76 76 LYS CA C 76 60.397 60.397 60.118 0.279 18325
7759 1 16 . 1 1 76 76 LYS CB C 76 32.405 32.405 32.353 0.052 18325
7760 1 16 . 1 1 76 76 LYS H H 76 8.298 8.298 8.637 -0.339 18325
7761 1 16 . 1 1 77 77 ALA N N 77 118.993 118.993 120.099 -1.106 18325
7762 1 16 . 1 1 77 77 ALA HA H 77 4.031 4.031 4.140 -0.109 18325
7763 1 16 . 1 1 77 77 ALA C C 77 180.450 180.450 180.059 0.391 18325
7764 1 16 . 1 1 77 77 ALA CA C 77 54.820 54.820 54.741 0.079 18325
7765 1 16 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.253 -0.053 18325
7766 1 16 . 1 1 77 77 ALA H H 77 7.985 7.985 7.918 0.067 18325
7767 1 16 . 1 1 78 78 LYS N N 78 119.952 119.952 119.084 0.868 18325
7768 1 16 . 1 1 78 78 LYS HA H 78 3.975 3.975 4.032 -0.057 18325
7769 1 16 . 1 1 78 78 LYS C C 78 177.949 177.949 178.398 -0.449 18325
7770 1 16 . 1 1 78 78 LYS CA C 78 58.079 58.079 57.764 0.315 18325
7771 1 16 . 1 1 78 78 LYS CB C 78 31.342 31.342 31.988 -0.646 18325
7772 1 16 . 1 1 78 78 LYS H H 78 7.480 7.480 7.527 -0.047 18325
7773 1 16 . 1 1 79 79 LEU N N 79 118.729 118.729 122.115 -3.386 18325
7774 1 16 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.081 -0.045 18325
7775 1 16 . 1 1 79 79 LEU C C 79 180.234 180.234 178.173 2.061 18325
7776 1 16 . 1 1 79 79 LEU CA C 79 58.096 58.096 58.383 -0.287 18325
7777 1 16 . 1 1 79 79 LEU CB C 79 41.776 41.776 41.831 -0.056 18325
7778 1 16 . 1 1 79 79 LEU H H 79 8.075 8.075 8.416 -0.341 18325
7779 1 16 . 1 1 80 80 VAL N N 80 118.567 118.567 113.146 5.421 18325
7780 1 16 . 1 1 80 80 VAL HA H 80 3.733 3.733 3.323 0.410 18325
7781 1 16 . 1 1 80 80 VAL C C 80 178.390 178.390 176.997 1.393 18325
7782 1 16 . 1 1 80 80 VAL CA C 80 65.895 65.895 65.477 0.418 18325
7783 1 16 . 1 1 80 80 VAL CB C 80 31.961 31.961 31.366 0.595 18325
7784 1 16 . 1 1 80 80 VAL H H 80 7.867 7.867 7.792 0.075 18325
7785 1 16 . 1 1 81 81 LYS N N 81 121.106 121.106 118.442 2.664 18325
7786 1 16 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.151 -0.059 18325
7787 1 16 . 1 1 81 81 LYS C C 81 179.434 179.434 178.461 0.973 18325
7788 1 16 . 1 1 81 81 LYS CA C 81 58.943 58.943 58.414 0.529 18325
7789 1 16 . 1 1 81 81 LYS CB C 81 32.497 32.497 32.341 0.156 18325
7790 1 16 . 1 1 81 81 LYS H H 81 7.565 7.565 7.189 0.376 18325
7791 1 16 . 1 1 82 82 ILE N N 82 117.365 117.365 114.871 2.494 18325
7792 1 16 . 1 1 82 82 ILE HA H 82 3.953 3.953 4.078 -0.125 18325
7793 1 16 . 1 1 82 82 ILE C C 82 177.482 177.482 176.796 0.686 18325
7794 1 16 . 1 1 82 82 ILE CA C 82 63.598 63.598 62.367 1.231 18325
7795 1 16 . 1 1 82 82 ILE CB C 82 38.372 38.372 37.572 0.800 18325
7796 1 16 . 1 1 82 82 ILE H H 82 8.124 8.124 8.132 -0.008 18325
7797 1 16 . 1 1 83 83 ALA N N 83 123.334 123.334 120.219 3.115 18325
7798 1 16 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.506 -0.227 18325
7799 1 16 . 1 1 83 83 ALA C C 83 179.104 179.104 177.775 1.329 18325
7800 1 16 . 1 1 83 83 ALA CA C 83 53.851 53.851 52.863 0.988 18325
7801 1 16 . 1 1 83 83 ALA CB C 83 18.769 18.769 20.567 -1.798 18325
7802 1 16 . 1 1 83 83 ALA H H 83 7.867 7.867 8.255 -0.388 18325
7803 1 16 . 1 1 84 84 GLY N N 84 105.962 105.962 106.876 -0.914 18325
7804 1 16 . 1 1 84 84 GLY C C 84 174.779 174.779 175.151 -0.372 18325
7805 1 16 . 1 1 84 84 GLY CA C 84 45.847 45.847 45.120 0.728 18325
7806 1 16 . 1 1 84 84 GLY H H 84 8.019 8.019 7.649 0.370 18325
7807 1 16 . 1 1 85 85 LEU N N 85 120.702 120.702 124.819 -4.117 18325
7808 1 16 . 1 1 85 85 LEU HA H 85 4.275 4.275 4.375 -0.100 18325
7809 1 16 . 1 1 85 85 LEU C C 85 177.609 177.609 177.453 0.156 18325
7810 1 16 . 1 1 85 85 LEU CA C 85 55.511 55.511 56.868 -1.357 18325
7811 1 16 . 1 1 85 85 LEU CB C 85 42.449 42.449 41.979 0.470 18325
7812 1 16 . 1 1 85 85 LEU H H 85 7.727 7.727 8.622 -0.895 18325
7813 1 16 . 1 1 86 86 GLU N N 86 120.386 120.386 117.953 2.433 18325
7814 1 16 . 1 1 86 86 GLU HA H 86 4.154 4.154 4.306 -0.152 18325
7815 1 16 . 1 1 86 86 GLU C C 86 176.359 176.359 175.607 0.752 18325
7816 1 16 . 1 1 86 86 GLU CA C 86 56.941 56.941 56.213 0.728 18325
7817 1 16 . 1 1 86 86 GLU CB C 86 30.180 30.180 28.936 1.244 18325
7818 1 16 . 1 1 86 86 GLU H H 86 8.238 8.238 8.356 -0.118 18325
7819 1 16 . 1 1 87 87 HIS N N 87 119.393 119.393 119.279 0.114 18325
7820 1 16 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.746 -0.156 18325
7821 1 16 . 1 1 87 87 HIS C C 87 174.000 174.000 173.694 0.306 18325
7822 1 16 . 1 1 87 87 HIS CA C 87 56.146 56.146 55.110 1.036 18325
7823 1 16 . 1 1 87 87 HIS CB C 87 30.335 30.335 30.725 -0.390 18325
7824 1 16 . 1 1 87 87 HIS H H 87 8.177 8.177 7.742 0.435 18325
7825 1 17 . 1 1 2 2 VAL HA H 2 4.195 4.195 4.547 -0.352 18325
7826 1 17 . 1 1 2 2 VAL C C 2 175.805 175.805 174.745 1.060 18325
7827 1 17 . 1 1 2 2 VAL CA C 2 62.388 62.388 61.308 1.080 18325
7828 1 17 . 1 1 2 2 VAL CB C 2 32.777 32.777 32.805 -0.028 18325
7829 1 17 . 1 1 3 3 THR N N 3 119.229 119.229 116.612 2.617 18325
7830 1 17 . 1 1 3 3 THR HA H 3 4.259 4.259 4.744 -0.485 18325
7831 1 17 . 1 1 3 3 THR C C 3 173.761 173.761 172.989 0.772 18325
7832 1 17 . 1 1 3 3 THR CA C 3 61.673 61.673 62.125 -0.452 18325
7833 1 17 . 1 1 3 3 THR CB C 3 69.846 69.846 70.440 -0.594 18325
7834 1 17 . 1 1 3 3 THR H H 3 8.256 8.256 8.157 0.099 18325
7835 1 17 . 1 1 4 4 ALA N N 4 126.635 126.635 128.664 -2.029 18325
7836 1 17 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.804 -0.650 18325
7837 1 17 . 1 1 4 4 ALA C C 4 177.002 177.002 176.004 0.998 18325
7838 1 17 . 1 1 4 4 ALA CA C 4 52.159 52.159 50.667 1.492 18325
7839 1 17 . 1 1 4 4 ALA CB C 4 19.512 19.512 21.327 -1.815 18325
7840 1 17 . 1 1 4 4 ALA H H 4 8.367 8.367 9.427 -1.060 18325
7841 1 17 . 1 1 5 5 ALA N N 5 123.621 123.621 121.665 1.956 18325
7842 1 17 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.398 -0.131 18325
7843 1 17 . 1 1 5 5 ALA C C 5 176.288 176.288 176.959 -0.671 18325
7844 1 17 . 1 1 5 5 ALA CA C 5 52.894 52.894 52.671 0.223 18325
7845 1 17 . 1 1 5 5 ALA CB C 5 19.494 19.494 19.096 0.398 18325
7846 1 17 . 1 1 5 5 ALA H H 5 8.374 8.374 8.630 -0.256 18325
7847 1 17 . 1 1 6 6 LEU N N 6 115.731 115.731 120.337 -4.606 18325
7848 1 17 . 1 1 6 6 LEU HA H 6 4.648 4.648 4.620 0.028 18325
7849 1 17 . 1 1 6 6 LEU C C 6 175.007 175.007 175.851 -0.844 18325
7850 1 17 . 1 1 6 6 LEU CA C 6 54.263 54.263 53.999 0.264 18325
7851 1 17 . 1 1 6 6 LEU CB C 6 44.224 44.224 41.607 2.617 18325
7852 1 17 . 1 1 6 6 LEU H H 6 7.478 7.478 7.662 -0.184 18325
7853 1 17 . 1 1 7 7 THR N N 7 119.383 119.383 122.827 -3.444 18325
7854 1 17 . 1 1 7 7 THR HA H 7 4.906 4.906 4.837 0.069 18325
7855 1 17 . 1 1 7 7 THR C C 7 172.657 172.657 173.597 -0.940 18325
7856 1 17 . 1 1 7 7 THR CA C 7 61.586 61.586 62.054 -0.468 18325
7857 1 17 . 1 1 7 7 THR CB C 7 70.917 70.917 68.622 2.295 18325
7858 1 17 . 1 1 7 7 THR H H 7 8.342 8.342 8.982 -0.640 18325
7859 1 17 . 1 1 8 8 ILE N N 8 124.711 124.711 127.631 -2.920 18325
7860 1 17 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.384 0.191 18325
7861 1 17 . 1 1 8 8 ILE C C 8 172.650 172.650 174.215 -1.565 18325
7862 1 17 . 1 1 8 8 ILE CA C 8 59.206 59.206 60.190 -0.984 18325
7863 1 17 . 1 1 8 8 ILE CB C 8 40.150 40.150 40.029 0.121 18325
7864 1 17 . 1 1 8 8 ILE H H 8 9.050 9.050 9.114 -0.064 18325
7865 1 17 . 1 1 9 9 TYR N N 9 128.517 128.517 128.086 0.431 18325
7866 1 17 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.664 0.761 18325
7867 1 17 . 1 1 9 9 TYR C C 9 176.445 176.445 174.765 1.680 18325
7868 1 17 . 1 1 9 9 TYR CA C 9 57.397 57.397 57.733 -0.336 18325
7869 1 17 . 1 1 9 9 TYR CB C 9 39.232 39.232 38.054 1.178 18325
7870 1 17 . 1 1 9 9 TYR H H 9 9.094 9.094 9.200 -0.106 18325
7871 1 17 . 1 1 10 10 THR N N 10 112.214 112.214 116.092 -3.878 18325
7872 1 17 . 1 1 10 10 THR HA H 10 4.778 4.778 4.630 0.148 18325
7873 1 17 . 1 1 10 10 THR C C 10 173.410 173.410 173.402 0.008 18325
7874 1 17 . 1 1 10 10 THR CA C 10 59.893 59.893 60.118 -0.225 18325
7875 1 17 . 1 1 10 10 THR CB C 10 72.063 72.063 71.591 0.472 18325
7876 1 17 . 1 1 10 10 THR H H 10 8.824 8.824 7.975 0.849 18325
7877 1 17 . 1 1 11 11 THR N N 11 103.866 103.866 119.007 -15.141 18325
7878 1 17 . 1 1 11 11 THR HA H 11 4.585 4.585 4.380 0.205 18325
7879 1 17 . 1 1 11 11 THR C C 11 176.335 176.335 175.518 0.817 18325
7880 1 17 . 1 1 11 11 THR CA C 11 60.389 60.389 61.246 -0.857 18325
7881 1 17 . 1 1 11 11 THR CB C 11 72.584 72.584 69.682 2.902 18325
7882 1 17 . 1 1 11 11 THR H H 11 6.667 6.667 8.425 -1.758 18325
7883 1 17 . 1 1 12 12 SER N N 12 116.991 116.991 116.939 0.052 18325
7884 1 17 . 1 1 12 12 SER HA H 12 4.134 4.134 4.293 -0.159 18325
7885 1 17 . 1 1 12 12 SER C C 12 174.863 174.863 175.498 -0.635 18325
7886 1 17 . 1 1 12 12 SER CA C 12 61.183 61.183 59.824 1.359 18325
7887 1 17 . 1 1 12 12 SER CB C 12 62.845 62.845 63.301 -0.456 18325
7888 1 17 . 1 1 12 12 SER H H 12 9.561 9.561 8.350 1.211 18325
7889 1 17 . 1 1 13 13 TRP N N 13 117.675 117.675 120.319 -2.644 18325
7890 1 17 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.749 0.026 18325
7891 1 17 . 1 1 13 13 TRP C C 13 175.144 175.144 174.605 0.539 18325
7892 1 17 . 1 1 13 13 TRP CA C 13 54.555 54.555 55.955 -1.400 18325
7893 1 17 . 1 1 13 13 TRP CB C 13 28.292 28.292 28.099 0.193 18325
7894 1 17 . 1 1 13 13 TRP H H 13 6.996 6.996 7.227 -0.231 18325
7895 1 17 . 1 1 14 14 CYS N N 14 120.513 120.513 125.935 -5.422 18325
7896 1 17 . 1 1 14 14 CYS HA H 14 4.498 4.498 4.635 -0.137 18325
7897 1 17 . 1 1 14 14 CYS CA C 14 53.859 53.859 58.713 -4.854 18325
7898 1 17 . 1 1 14 14 CYS CB C 14 44.419 44.419 30.293 14.126 18325
7899 1 17 . 1 1 14 14 CYS H H 14 6.755 6.755 8.120 -1.365 18325
7900 1 17 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.277 0.100 18325
7901 1 17 . 1 1 16 16 TYR C C 16 177.495 177.495 177.301 0.194 18325
7902 1 17 . 1 1 16 16 TYR CA C 16 60.662 60.662 61.143 -0.481 18325
7903 1 17 . 1 1 16 16 TYR CB C 16 37.852 37.852 38.552 -0.700 18325
7904 1 17 . 1 1 17 17 CYS N N 17 114.160 114.160 117.915 -3.755 18325
7905 1 17 . 1 1 17 17 CYS HA H 17 3.923 3.923 4.157 -0.234 18325
7906 1 17 . 1 1 17 17 CYS C C 17 174.680 174.680 176.582 -1.902 18325
7907 1 17 . 1 1 17 17 CYS CA C 17 65.302 65.302 62.343 2.959 18325
7908 1 17 . 1 1 17 17 CYS CB C 17 33.986 33.986 26.059 7.927 18325
7909 1 17 . 1 1 17 17 CYS H H 17 8.495 8.495 7.858 0.637 18325
7910 1 17 . 1 1 18 18 LEU N N 18 119.295 119.295 121.962 -2.667 18325
7911 1 17 . 1 1 18 18 LEU HA H 18 4.031 4.031 3.958 0.073 18325
7912 1 17 . 1 1 18 18 LEU C C 18 179.001 179.001 178.684 0.317 18325
7913 1 17 . 1 1 18 18 LEU CA C 18 58.234 58.234 58.147 0.088 18325
7914 1 17 . 1 1 18 18 LEU CB C 18 41.205 41.205 41.173 0.032 18325
7915 1 17 . 1 1 18 18 LEU H H 18 7.311 7.311 7.730 -0.419 18325
7916 1 17 . 1 1 19 19 ARG N N 19 119.771 119.771 117.418 2.353 18325
7917 1 17 . 1 1 19 19 ARG HA H 19 3.998 3.998 3.963 0.035 18325
7918 1 17 . 1 1 19 19 ARG C C 19 178.949 178.949 178.925 0.024 18325
7919 1 17 . 1 1 19 19 ARG CA C 19 59.597 59.597 59.294 0.303 18325
7920 1 17 . 1 1 19 19 ARG CB C 19 30.006 30.006 29.755 0.251 18325
7921 1 17 . 1 1 19 19 ARG H H 19 7.469 7.469 7.854 -0.385 18325
7922 1 17 . 1 1 20 20 LEU N N 20 120.802 120.802 120.492 0.310 18325
7923 1 17 . 1 1 20 20 LEU HA H 20 4.097 4.097 4.080 0.017 18325
7924 1 17 . 1 1 20 20 LEU C C 20 177.928 177.928 177.625 0.303 18325
7925 1 17 . 1 1 20 20 LEU CA C 20 57.757 57.757 57.355 0.402 18325
7926 1 17 . 1 1 20 20 LEU CB C 20 40.940 40.940 41.764 -0.824 18325
7927 1 17 . 1 1 20 20 LEU H H 20 8.150 8.150 7.436 0.714 18325
7928 1 17 . 1 1 21 21 LYS N N 21 117.910 117.910 119.183 -1.273 18325
7929 1 17 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.500 -0.220 18325
7930 1 17 . 1 1 21 21 LYS C C 21 178.851 178.851 178.938 -0.087 18325
7931 1 17 . 1 1 21 21 LYS CA C 21 61.353 61.353 60.309 1.044 18325
7932 1 17 . 1 1 21 21 LYS CB C 21 31.698 31.698 32.237 -0.539 18325
7933 1 17 . 1 1 21 21 LYS H H 21 7.854 7.854 8.267 -0.413 18325
7934 1 17 . 1 1 22 22 THR N N 22 115.451 115.451 111.907 3.544 18325
7935 1 17 . 1 1 22 22 THR HA H 22 3.889 3.889 4.084 -0.195 18325
7936 1 17 . 1 1 22 22 THR C C 22 176.571 176.571 176.167 0.404 18325
7937 1 17 . 1 1 22 22 THR CA C 22 66.849 66.849 65.896 0.953 18325
7938 1 17 . 1 1 22 22 THR CB C 22 68.793 68.793 68.152 0.641 18325
7939 1 17 . 1 1 22 22 THR H H 22 8.125 8.125 8.165 -0.040 18325
7940 1 17 . 1 1 23 23 ALA N N 23 125.218 125.218 124.060 1.158 18325
7941 1 17 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.110 0.164 18325
7942 1 17 . 1 1 23 23 ALA C C 23 180.948 180.948 179.520 1.428 18325
7943 1 17 . 1 1 23 23 ALA CA C 23 55.003 55.003 54.710 0.293 18325
7944 1 17 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.191 0.651 18325
7945 1 17 . 1 1 23 23 ALA H H 23 7.892 7.892 7.366 0.526 18325
7946 1 17 . 1 1 24 24 LEU N N 24 120.007 120.007 118.267 1.740 18325
7947 1 17 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.895 0.123 18325
7948 1 17 . 1 1 24 24 LEU C C 24 179.738 179.738 179.485 0.253 18325
7949 1 17 . 1 1 24 24 LEU CA C 24 58.807 58.807 57.868 0.939 18325
7950 1 17 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.464 -1.650 18325
7951 1 17 . 1 1 24 24 LEU H H 24 8.775 8.775 8.365 0.410 18325
7952 1 17 . 1 1 25 25 THR N N 25 118.777 118.777 115.524 3.253 18325
7953 1 17 . 1 1 25 25 THR HA H 25 4.175 4.175 4.063 0.112 18325
7954 1 17 . 1 1 25 25 THR C C 25 178.539 178.539 177.005 1.534 18325
7955 1 17 . 1 1 25 25 THR CA C 25 67.138 67.138 66.683 0.455 18325
7956 1 17 . 1 1 25 25 THR CB C 25 68.679 68.679 68.489 0.190 18325
7957 1 17 . 1 1 25 25 THR H H 25 8.636 8.636 8.253 0.383 18325
7958 1 17 . 1 1 26 26 ALA N N 26 126.122 126.122 122.558 3.564 18325
7959 1 17 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.301 -0.113 18325
7960 1 17 . 1 1 26 26 ALA C C 26 178.536 178.536 178.107 0.429 18325
7961 1 17 . 1 1 26 26 ALA CA C 26 55.134 55.134 53.983 1.151 18325
7962 1 17 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.382 -0.495 18325
7963 1 17 . 1 1 26 26 ALA H H 26 8.357 8.357 7.854 0.503 18325
7964 1 17 . 1 1 27 27 ASN N N 27 114.755 114.755 114.983 -0.228 18325
7965 1 17 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.902 -0.205 18325
7966 1 17 . 1 1 27 27 ASN C C 27 172.751 172.751 174.580 -1.829 18325
7967 1 17 . 1 1 27 27 ASN CA C 27 53.712 53.712 52.665 1.047 18325
7968 1 17 . 1 1 27 27 ASN CB C 27 40.648 40.648 39.696 0.952 18325
7969 1 17 . 1 1 27 27 ASN H H 27 7.456 7.456 7.544 -0.088 18325
7970 1 17 . 1 1 28 28 ARG N N 28 115.444 115.444 115.047 0.397 18325
7971 1 17 . 1 1 28 28 ARG HA H 28 3.934 3.934 3.888 0.046 18325
7972 1 17 . 1 1 28 28 ARG C C 28 175.075 175.075 175.140 -0.065 18325
7973 1 17 . 1 1 28 28 ARG CA C 28 57.091 57.091 57.402 -0.311 18325
7974 1 17 . 1 1 28 28 ARG CB C 28 26.393 26.393 27.370 -0.977 18325
7975 1 17 . 1 1 28 28 ARG H H 28 8.183 8.183 7.666 0.517 18325
7976 1 17 . 1 1 29 29 ILE N N 29 120.976 120.976 120.841 0.135 18325
7977 1 17 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.129 -0.050 18325
7978 1 17 . 1 1 29 29 ILE C C 29 175.050 175.050 174.767 0.283 18325
7979 1 17 . 1 1 29 29 ILE CA C 29 60.664 60.664 61.157 -0.493 18325
7980 1 17 . 1 1 29 29 ILE CB C 29 38.695 38.695 38.044 0.651 18325
7981 1 17 . 1 1 29 29 ILE H H 29 8.004 8.004 8.082 -0.078 18325
7982 1 17 . 1 1 30 30 ALA N N 30 131.099 131.099 131.424 -0.325 18325
7983 1 17 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.411 -0.243 18325
7984 1 17 . 1 1 30 30 ALA C C 30 176.360 176.360 175.461 0.899 18325
7985 1 17 . 1 1 30 30 ALA CA C 30 51.819 51.819 51.886 -0.067 18325
7986 1 17 . 1 1 30 30 ALA CB C 30 19.641 19.641 20.331 -0.690 18325
7987 1 17 . 1 1 30 30 ALA H H 30 8.329 8.329 8.346 -0.017 18325
7988 1 17 . 1 1 31 31 TYR N N 31 114.363 114.363 116.927 -2.564 18325
7989 1 17 . 1 1 31 31 TYR HA H 31 5.133 5.133 4.687 0.446 18325
7990 1 17 . 1 1 31 31 TYR C C 31 173.470 173.470 173.536 -0.066 18325
7991 1 17 . 1 1 31 31 TYR CA C 31 55.522 55.522 55.663 -0.141 18325
7992 1 17 . 1 1 31 31 TYR CB C 31 41.184 41.184 40.555 0.629 18325
7993 1 17 . 1 1 31 31 TYR H H 31 7.509 7.509 7.663 -0.154 18325
7994 1 17 . 1 1 32 32 ASP N N 32 120.754 120.754 123.580 -2.826 18325
7995 1 17 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.879 0.047 18325
7996 1 17 . 1 1 32 32 ASP C C 32 174.611 174.611 175.226 -0.615 18325
7997 1 17 . 1 1 32 32 ASP CA C 32 52.875 52.875 53.795 -0.920 18325
7998 1 17 . 1 1 32 32 ASP CB C 32 42.843 42.843 42.992 -0.149 18325
7999 1 17 . 1 1 32 32 ASP H H 32 8.517 8.517 8.865 -0.348 18325
8000 1 17 . 1 1 33 33 GLU N N 33 124.650 124.650 122.650 2.000 18325
8001 1 17 . 1 1 33 33 GLU HA H 33 5.205 5.205 5.134 0.071 18325
8002 1 17 . 1 1 33 33 GLU C C 33 175.049 175.049 175.776 -0.727 18325
8003 1 17 . 1 1 33 33 GLU CA C 33 54.489 54.489 55.055 -0.566 18325
8004 1 17 . 1 1 33 33 GLU CB C 33 32.425 32.425 31.213 1.212 18325
8005 1 17 . 1 1 33 33 GLU H H 33 8.836 8.836 8.581 0.255 18325
8006 1 17 . 1 1 34 34 VAL N N 34 128.112 128.112 122.394 5.718 18325
8007 1 17 . 1 1 34 34 VAL HA H 34 4.062 4.062 4.081 -0.019 18325
8008 1 17 . 1 1 34 34 VAL C C 34 173.620 173.620 176.660 -3.040 18325
8009 1 17 . 1 1 34 34 VAL CA C 34 61.427 61.427 61.364 0.063 18325
8010 1 17 . 1 1 34 34 VAL CB C 34 34.690 34.690 32.779 1.911 18325
8011 1 17 . 1 1 34 34 VAL H H 34 8.615 8.615 8.450 0.165 18325
8012 1 17 . 1 1 35 35 ASP N N 35 127.319 127.319 123.119 4.200 18325
8013 1 17 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.185 0.752 18325
8014 1 17 . 1 1 35 35 ASP C C 35 179.260 179.260 177.826 1.434 18325
8015 1 17 . 1 1 35 35 ASP CA C 35 61.428 61.428 56.912 4.516 18325
8016 1 17 . 1 1 35 35 ASP CB C 35 41.858 41.858 40.108 1.750 18325
8017 1 17 . 1 1 35 35 ASP H H 35 8.458 8.458 8.769 -0.311 18325
8018 1 17 . 1 1 36 36 ILE N N 36 119.537 119.537 115.156 4.381 18325
8019 1 17 . 1 1 36 36 ILE HA H 36 4.360 4.360 4.082 0.278 18325
8020 1 17 . 1 1 36 36 ILE C C 36 176.943 176.943 176.544 0.399 18325
8021 1 17 . 1 1 36 36 ILE CA C 36 63.681 63.681 63.560 0.121 18325
8022 1 17 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.310 0.327 18325
8023 1 17 . 1 1 36 36 ILE H H 36 8.833 8.833 7.794 1.039 18325
8024 1 17 . 1 1 37 37 GLU N N 37 122.074 122.074 118.253 3.821 18325
8025 1 17 . 1 1 37 37 GLU HA H 37 4.131 4.131 3.965 0.166 18325
8026 1 17 . 1 1 37 37 GLU C C 37 177.224 177.224 177.593 -0.369 18325
8027 1 17 . 1 1 37 37 GLU CA C 37 58.503 58.503 58.248 0.255 18325
8028 1 17 . 1 1 37 37 GLU CB C 37 29.312 29.312 29.253 0.059 18325
8029 1 17 . 1 1 37 37 GLU H H 37 8.815 8.815 8.330 0.485 18325
8030 1 17 . 1 1 38 38 HIS N N 38 114.611 114.611 113.495 1.116 18325
8031 1 17 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.835 0.011 18325
8032 1 17 . 1 1 38 38 HIS C C 38 174.168 174.168 175.065 -0.897 18325
8033 1 17 . 1 1 38 38 HIS CA C 38 55.189 55.189 55.624 -0.435 18325
8034 1 17 . 1 1 38 38 HIS CB C 38 30.936 30.936 31.043 -0.107 18325
8035 1 17 . 1 1 38 38 HIS H H 38 7.661 7.661 7.917 -0.256 18325
8036 1 17 . 1 1 39 39 ASN N N 39 117.944 117.944 120.455 -2.511 18325
8037 1 17 . 1 1 39 39 ASN HA H 39 4.900 4.900 4.732 0.168 18325
8038 1 17 . 1 1 39 39 ASN C C 39 173.626 173.626 176.051 -2.425 18325
8039 1 17 . 1 1 39 39 ASN CA C 39 52.634 52.634 51.888 0.746 18325
8040 1 17 . 1 1 39 39 ASN CB C 39 39.436 39.436 38.531 0.905 18325
8041 1 17 . 1 1 39 39 ASN H H 39 7.095 7.095 7.909 -0.814 18325
8042 1 17 . 1 1 40 40 ARG N N 40 126.603 126.603 127.054 -0.451 18325
8043 1 17 . 1 1 40 40 ARG HA H 40 4.142 4.142 4.160 -0.018 18325
8044 1 17 . 1 1 40 40 ARG C C 40 178.292 178.292 177.111 1.181 18325
8045 1 17 . 1 1 40 40 ARG CA C 40 59.371 59.371 58.867 0.504 18325
8046 1 17 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.735 0.183 18325
8047 1 17 . 1 1 40 40 ARG H H 40 8.750 8.750 8.443 0.307 18325
8048 1 17 . 1 1 41 41 ALA N N 41 122.148 122.148 122.828 -0.680 18325
8049 1 17 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.163 0.039 18325
8050 1 17 . 1 1 41 41 ALA C C 41 181.236 181.236 179.247 1.989 18325
8051 1 17 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.895 0.181 18325
8052 1 17 . 1 1 41 41 ALA CB C 41 17.795 17.795 18.013 -0.218 18325
8053 1 17 . 1 1 41 41 ALA H H 41 8.460 8.460 7.951 0.509 18325
8054 1 17 . 1 1 42 42 ALA N N 42 122.394 122.394 119.592 2.802 18325
8055 1 17 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.203 0.021 18325
8056 1 17 . 1 1 42 42 ALA C C 42 178.949 178.949 179.025 -0.076 18325
8057 1 17 . 1 1 42 42 ALA CA C 42 54.423 54.423 54.054 0.369 18325
8058 1 17 . 1 1 42 42 ALA CB C 42 19.786 19.786 18.441 1.345 18325
8059 1 17 . 1 1 42 42 ALA H H 42 7.973 7.973 8.121 -0.148 18325
8060 1 17 . 1 1 43 43 ALA N N 43 120.965 120.965 121.722 -0.757 18325
8061 1 17 . 1 1 43 43 ALA HA H 43 3.788 3.788 4.083 -0.295 18325
8062 1 17 . 1 1 43 43 ALA C C 43 179.994 179.994 179.542 0.452 18325
8063 1 17 . 1 1 43 43 ALA CA C 43 56.189 56.189 54.878 1.311 18325
8064 1 17 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.272 -0.239 18325
8065 1 17 . 1 1 43 43 ALA H H 43 8.170 8.170 7.657 0.513 18325
8066 1 17 . 1 1 44 44 GLU N N 44 117.052 117.052 119.715 -2.663 18325
8067 1 17 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.051 -0.098 18325
8068 1 17 . 1 1 44 44 GLU C C 44 179.698 179.698 178.531 1.167 18325
8069 1 17 . 1 1 44 44 GLU CA C 44 58.934 58.934 58.807 0.127 18325
8070 1 17 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.417 -0.291 18325
8071 1 17 . 1 1 44 44 GLU H H 44 8.240 8.240 8.127 0.113 18325
8072 1 17 . 1 1 45 45 PHE N N 45 122.282 122.282 119.165 3.117 18325
8073 1 17 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.265 -0.033 18325
8074 1 17 . 1 1 45 45 PHE C C 45 177.994 177.994 177.133 0.861 18325
8075 1 17 . 1 1 45 45 PHE CA C 45 61.170 61.170 60.542 0.628 18325
8076 1 17 . 1 1 45 45 PHE CB C 45 38.225 38.225 38.914 -0.689 18325
8077 1 17 . 1 1 45 45 PHE H H 45 8.068 8.068 7.523 0.545 18325
8078 1 17 . 1 1 46 46 VAL N N 46 120.442 120.442 118.912 1.530 18325
8079 1 17 . 1 1 46 46 VAL HA H 46 2.908 2.908 3.231 -0.323 18325
8080 1 17 . 1 1 46 46 VAL C C 46 178.852 178.852 177.867 0.985 18325
8081 1 17 . 1 1 46 46 VAL CA C 46 67.186 67.186 66.448 0.738 18325
8082 1 17 . 1 1 46 46 VAL CB C 46 31.143 31.143 31.097 0.046 18325
8083 1 17 . 1 1 46 46 VAL H H 46 8.363 8.363 7.478 0.885 18325
8084 1 17 . 1 1 47 47 GLY N N 47 105.864 105.864 105.331 0.533 18325
8085 1 17 . 1 1 47 47 GLY C C 47 176.759 176.759 175.468 1.291 18325
8086 1 17 . 1 1 47 47 GLY CA C 47 46.690 46.690 46.745 -0.055 18325
8087 1 17 . 1 1 47 47 GLY H H 47 8.187 8.187 7.659 0.528 18325
8088 1 17 . 1 1 48 48 SER N N 48 118.796 118.796 116.342 2.454 18325
8089 1 17 . 1 1 48 48 SER HA H 48 4.201 4.201 4.293 -0.092 18325
8090 1 17 . 1 1 48 48 SER C C 48 176.571 176.571 175.559 1.012 18325
8091 1 17 . 1 1 48 48 SER CA C 48 61.440 61.440 60.739 0.701 18325
8092 1 17 . 1 1 48 48 SER CB C 48 62.661 62.661 63.114 -0.453 18325
8093 1 17 . 1 1 48 48 SER H H 48 8.045 8.045 7.475 0.570 18325
8094 1 17 . 1 1 49 49 VAL N N 49 114.967 114.967 114.286 0.681 18325
8095 1 17 . 1 1 49 49 VAL HA H 49 4.356 4.356 4.016 0.340 18325
8096 1 17 . 1 1 49 49 VAL C C 49 175.807 175.807 175.280 0.527 18325
8097 1 17 . 1 1 49 49 VAL CA C 49 62.064 62.064 62.362 -0.298 18325
8098 1 17 . 1 1 49 49 VAL CB C 49 31.110 31.110 32.165 -1.055 18325
8099 1 17 . 1 1 49 49 VAL H H 49 7.040 7.040 7.085 -0.045 18325
8100 1 17 . 1 1 50 50 ASN N N 50 119.765 119.765 119.926 -0.161 18325
8101 1 17 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.779 0.355 18325
8102 1 17 . 1 1 50 50 ASN C C 50 176.473 176.473 174.625 1.848 18325
8103 1 17 . 1 1 50 50 ASN CA C 50 53.454 53.454 52.239 1.214 18325
8104 1 17 . 1 1 50 50 ASN CB C 50 40.815 40.815 40.586 0.229 18325
8105 1 17 . 1 1 50 50 ASN H H 50 7.364 7.364 7.567 -0.203 18325
8106 1 17 . 1 1 51 51 GLY N N 51 110.407 110.407 109.528 0.879 18325
8107 1 17 . 1 1 51 51 GLY C C 51 174.967 174.967 175.523 -0.556 18325
8108 1 17 . 1 1 51 51 GLY CA C 51 47.543 47.543 45.270 2.273 18325
8109 1 17 . 1 1 51 51 GLY H H 51 8.546 8.546 8.638 -0.092 18325
8110 1 17 . 1 1 52 52 GLY N N 52 106.482 106.482 114.724 -8.242 18325
8111 1 17 . 1 1 52 52 GLY C C 52 174.134 174.134 174.228 -0.094 18325
8112 1 17 . 1 1 52 52 GLY CA C 52 44.424 44.424 45.592 -1.168 18325
8113 1 17 . 1 1 52 52 GLY H H 52 8.810 8.810 8.710 0.100 18325
8114 1 17 . 1 1 53 53 ASN N N 53 119.129 119.129 121.977 -2.848 18325
8115 1 17 . 1 1 53 53 ASN HA H 53 4.738 4.738 4.796 -0.058 18325
8116 1 17 . 1 1 53 53 ASN C C 53 174.828 174.828 174.211 0.617 18325
8117 1 17 . 1 1 53 53 ASN CA C 53 52.654 52.654 52.319 0.335 18325
8118 1 17 . 1 1 53 53 ASN CB C 53 40.237 40.237 40.446 -0.209 18325
8119 1 17 . 1 1 53 53 ASN H H 53 7.330 7.330 8.226 -0.896 18325
8120 1 17 . 1 1 54 54 ARG N N 54 125.094 125.094 125.458 -0.364 18325
8121 1 17 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.156 -0.022 18325
8122 1 17 . 1 1 54 54 ARG C C 54 174.863 174.863 175.374 -0.511 18325
8123 1 17 . 1 1 54 54 ARG CA C 54 55.132 55.132 56.607 -1.475 18325
8124 1 17 . 1 1 54 54 ARG CB C 54 27.409 27.409 29.632 -2.223 18325
8125 1 17 . 1 1 54 54 ARG H H 54 8.826 8.826 8.524 0.302 18325
8126 1 17 . 1 1 55 55 THR N N 55 117.920 117.920 120.276 -2.356 18325
8127 1 17 . 1 1 55 55 THR HA H 55 4.020 4.020 4.255 -0.235 18325
8128 1 17 . 1 1 55 55 THR C C 55 172.459 172.459 175.509 -3.050 18325
8129 1 17 . 1 1 55 55 THR CA C 55 63.451 63.451 62.746 0.705 18325
8130 1 17 . 1 1 55 55 THR CB C 55 69.158 69.158 69.525 -0.367 18325
8131 1 17 . 1 1 55 55 THR H H 55 6.994 6.994 7.843 -0.849 18325
8132 1 17 . 1 1 56 56 VAL N N 56 117.300 117.300 123.554 -6.254 18325
8133 1 17 . 1 1 56 56 VAL HA H 56 4.735 4.735 4.054 0.681 18325
8134 1 17 . 1 1 56 56 VAL CA C 56 56.872 56.872 64.050 -7.178 18325
8135 1 17 . 1 1 56 56 VAL CB C 56 34.378 34.378 29.119 5.259 18325
8136 1 17 . 1 1 56 56 VAL H H 56 8.172 8.172 8.545 -0.373 18325
8137 1 17 . 1 1 57 57 PRO HA H 57 5.350 5.350 4.889 0.461 18325
8138 1 17 . 1 1 57 57 PRO C C 57 176.879 176.879 175.790 1.089 18325
8139 1 17 . 1 1 57 57 PRO CA C 57 62.246 62.246 63.197 -0.951 18325
8140 1 17 . 1 1 57 57 PRO CB C 57 34.293 34.293 30.180 4.113 18325
8141 1 17 . 1 1 58 58 THR N N 58 120.440 120.440 121.746 -1.306 18325
8142 1 17 . 1 1 58 58 THR HA H 58 5.042 5.042 5.002 0.040 18325
8143 1 17 . 1 1 58 58 THR C C 58 172.321 172.321 173.066 -0.745 18325
8144 1 17 . 1 1 58 58 THR CA C 58 63.449 63.449 61.574 1.875 18325
8145 1 17 . 1 1 58 58 THR CB C 58 71.892 71.892 70.803 1.089 18325
8146 1 17 . 1 1 58 58 THR H H 58 7.948 7.948 8.265 -0.317 18325
8147 1 17 . 1 1 59 59 VAL N N 59 126.444 126.444 128.181 -1.737 18325
8148 1 17 . 1 1 59 59 VAL HA H 59 5.095 5.095 4.680 0.415 18325
8149 1 17 . 1 1 59 59 VAL C C 59 173.176 173.176 173.223 -0.047 18325
8150 1 17 . 1 1 59 59 VAL CA C 59 60.133 60.133 59.634 0.499 18325
8151 1 17 . 1 1 59 59 VAL CB C 59 34.117 34.117 34.656 -0.539 18325
8152 1 17 . 1 1 59 59 VAL H H 59 9.428 9.428 9.294 0.134 18325
8153 1 17 . 1 1 60 60 LYS N N 60 126.183 126.183 129.439 -3.256 18325
8154 1 17 . 1 1 60 60 LYS HA H 60 5.379 5.379 5.116 0.263 18325
8155 1 17 . 1 1 60 60 LYS C C 60 175.404 175.404 175.307 0.097 18325
8156 1 17 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.755 -0.144 18325
8157 1 17 . 1 1 60 60 LYS CB C 60 37.601 37.601 34.301 3.300 18325
8158 1 17 . 1 1 60 60 LYS H H 60 9.214 9.214 8.930 0.284 18325
8159 1 17 . 1 1 61 61 PHE N N 61 126.709 126.709 124.766 1.943 18325
8160 1 17 . 1 1 61 61 PHE HA H 61 4.736 4.736 5.427 -0.691 18325
8161 1 17 . 1 1 61 61 PHE C C 61 178.102 178.102 177.727 0.375 18325
8162 1 17 . 1 1 61 61 PHE CA C 61 58.048 58.048 56.217 1.831 18325
8163 1 17 . 1 1 61 61 PHE CB C 61 41.221 41.221 41.247 -0.026 18325
8164 1 17 . 1 1 61 61 PHE H H 61 9.069 9.069 8.130 0.939 18325
8165 1 17 . 1 1 62 62 ALA N N 62 123.358 123.358 123.308 0.050 18325
8166 1 17 . 1 1 62 62 ALA HA H 62 4.134 4.134 4.112 0.021 18325
8167 1 17 . 1 1 62 62 ALA C C 62 177.754 177.754 178.197 -0.443 18325
8168 1 17 . 1 1 62 62 ALA CA C 62 54.940 54.940 54.586 0.354 18325
8169 1 17 . 1 1 62 62 ALA CB C 62 19.243 19.243 17.926 1.317 18325
8170 1 17 . 1 1 62 62 ALA H H 62 9.728 9.728 8.787 0.941 18325
8171 1 17 . 1 1 63 63 ASP N N 63 113.412 113.412 118.365 -4.953 18325
8172 1 17 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.484 0.102 18325
8173 1 17 . 1 1 63 63 ASP C C 63 177.032 177.032 177.746 -0.714 18325
8174 1 17 . 1 1 63 63 ASP CA C 63 53.141 53.141 54.429 -1.288 18325
8175 1 17 . 1 1 63 63 ASP CB C 63 40.040 40.040 40.888 -0.848 18325
8176 1 17 . 1 1 63 63 ASP H H 63 7.675 7.675 8.072 -0.397 18325
8177 1 17 . 1 1 64 64 GLY N N 64 109.285 109.285 108.005 1.280 18325
8178 1 17 . 1 1 64 64 GLY C C 64 173.680 173.680 174.355 -0.675 18325
8179 1 17 . 1 1 64 64 GLY CA C 64 45.328 45.328 45.093 0.235 18325
8180 1 17 . 1 1 64 64 GLY H H 64 8.361 8.361 8.117 0.244 18325
8181 1 17 . 1 1 65 65 SER N N 65 117.733 117.733 116.220 1.513 18325
8182 1 17 . 1 1 65 65 SER HA H 65 4.567 4.567 4.992 -0.425 18325
8183 1 17 . 1 1 65 65 SER C C 65 173.595 173.595 173.384 0.211 18325
8184 1 17 . 1 1 65 65 SER CA C 65 58.964 58.964 56.941 2.022 18325
8185 1 17 . 1 1 65 65 SER CB C 65 64.637 64.637 64.022 0.615 18325
8186 1 17 . 1 1 65 65 SER H H 65 8.287 8.287 7.950 0.337 18325
8187 1 17 . 1 1 66 66 THR N N 66 106.725 106.725 114.250 -7.525 18325
8188 1 17 . 1 1 66 66 THR HA H 66 6.250 6.250 5.305 0.945 18325
8189 1 17 . 1 1 66 66 THR C C 66 175.730 175.730 173.567 2.163 18325
8190 1 17 . 1 1 66 66 THR CA C 66 59.494 59.494 60.683 -1.189 18325
8191 1 17 . 1 1 66 66 THR CB C 66 73.049 73.049 70.845 2.204 18325
8192 1 17 . 1 1 66 66 THR H H 66 8.221 8.221 8.171 0.050 18325
8193 1 17 . 1 1 67 67 LEU N N 67 117.517 117.517 125.641 -8.124 18325
8194 1 17 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.816 0.052 18325
8195 1 17 . 1 1 67 67 LEU C C 67 176.030 176.030 174.930 1.100 18325
8196 1 17 . 1 1 67 67 LEU CA C 67 54.768 54.768 53.894 0.874 18325
8197 1 17 . 1 1 67 67 LEU CB C 67 47.406 47.406 45.325 2.081 18325
8198 1 17 . 1 1 67 67 LEU H H 67 8.763 8.763 9.257 -0.494 18325
8199 1 17 . 1 1 68 68 THR N N 68 120.988 120.988 121.993 -1.005 18325
8200 1 17 . 1 1 68 68 THR HA H 68 4.616 4.616 5.013 -0.397 18325
8201 1 17 . 1 1 68 68 THR C C 68 173.201 173.201 173.971 -0.770 18325
8202 1 17 . 1 1 68 68 THR CA C 68 62.802 62.802 61.482 1.320 18325
8203 1 17 . 1 1 68 68 THR CB C 68 69.226 69.226 70.286 -1.060 18325
8204 1 17 . 1 1 68 68 THR H H 68 9.226 9.226 8.572 0.654 18325
8205 1 17 . 1 1 69 69 ASN N N 69 122.679 122.679 118.797 3.882 18325
8206 1 17 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.571 -0.281 18325
8207 1 17 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.575 0.890 18325
8208 1 17 . 1 1 69 69 ASN CB C 69 38.731 38.731 37.120 1.611 18325
8209 1 17 . 1 1 69 69 ASN H H 69 9.097 9.097 8.605 0.492 18325
8210 1 17 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.856 0.013 18325
8211 1 17 . 1 1 70 70 PRO C C 70 177.239 177.239 176.134 1.105 18325
8212 1 17 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.465 0.592 18325
8213 1 17 . 1 1 70 70 PRO CB C 70 32.153 32.153 33.554 -1.401 18325
8214 1 17 . 1 1 71 71 SER N N 71 115.373 115.373 116.212 -0.839 18325
8215 1 17 . 1 1 71 71 SER HA H 71 4.620 4.620 4.661 -0.041 18325
8216 1 17 . 1 1 71 71 SER C C 71 175.966 175.966 175.454 0.512 18325
8217 1 17 . 1 1 71 71 SER CA C 71 56.624 56.624 57.179 -0.555 18325
8218 1 17 . 1 1 71 71 SER CB C 71 65.562 65.562 64.430 1.132 18325
8219 1 17 . 1 1 71 71 SER H H 71 8.932 8.932 8.741 0.191 18325
8220 1 17 . 1 1 72 72 ALA N N 72 124.008 124.008 126.096 -2.088 18325
8221 1 17 . 1 1 72 72 ALA HA H 72 3.763 3.763 4.053 -0.290 18325
8222 1 17 . 1 1 72 72 ALA C C 72 179.550 179.550 179.379 0.171 18325
8223 1 17 . 1 1 72 72 ALA CA C 72 55.970 55.970 55.174 0.796 18325
8224 1 17 . 1 1 72 72 ALA CB C 72 17.873 17.873 18.281 -0.408 18325
8225 1 17 . 1 1 72 72 ALA H H 72 9.235 9.235 8.736 0.499 18325
8226 1 17 . 1 1 73 73 ASP N N 73 116.584 116.584 117.954 -1.370 18325
8227 1 17 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.355 -0.025 18325
8228 1 17 . 1 1 73 73 ASP C C 73 179.219 179.219 178.357 0.862 18325
8229 1 17 . 1 1 73 73 ASP CA C 73 57.583 57.583 57.465 0.118 18325
8230 1 17 . 1 1 73 73 ASP CB C 73 40.300 40.300 40.603 -0.303 18325
8231 1 17 . 1 1 73 73 ASP H H 73 8.277 8.277 8.766 -0.489 18325
8232 1 17 . 1 1 74 74 GLU N N 74 122.057 122.057 120.037 2.020 18325
8233 1 17 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.017 -0.002 18325
8234 1 17 . 1 1 74 74 GLU C C 74 180.045 180.045 179.192 0.853 18325
8235 1 17 . 1 1 74 74 GLU CA C 74 59.199 59.199 59.118 0.081 18325
8236 1 17 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.637 0.437 18325
8237 1 17 . 1 1 74 74 GLU H H 74 7.925 7.925 7.528 0.397 18325
8238 1 17 . 1 1 75 75 VAL N N 75 120.141 120.141 120.151 -0.010 18325
8239 1 17 . 1 1 75 75 VAL HA H 75 3.681 3.681 3.846 -0.165 18325
8240 1 17 . 1 1 75 75 VAL C C 75 177.008 177.008 177.894 -0.886 18325
8241 1 17 . 1 1 75 75 VAL CA C 75 67.172 67.172 66.657 0.515 18325
8242 1 17 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.110 0.127 18325
8243 1 17 . 1 1 75 75 VAL H H 75 7.885 7.885 8.142 -0.257 18325
8244 1 17 . 1 1 76 76 LYS N N 76 118.715 118.715 120.241 -1.526 18325
8245 1 17 . 1 1 76 76 LYS HA H 76 3.827 3.827 3.974 -0.147 18325
8246 1 17 . 1 1 76 76 LYS C C 76 178.105 178.105 178.631 -0.526 18325
8247 1 17 . 1 1 76 76 LYS CA C 76 60.397 60.397 59.914 0.483 18325
8248 1 17 . 1 1 76 76 LYS CB C 76 32.405 32.405 32.396 0.009 18325
8249 1 17 . 1 1 76 76 LYS H H 76 8.298 8.298 8.200 0.098 18325
8250 1 17 . 1 1 77 77 ALA N N 77 118.993 118.993 121.352 -2.359 18325
8251 1 17 . 1 1 77 77 ALA HA H 77 4.031 4.031 3.994 0.037 18325
8252 1 17 . 1 1 77 77 ALA C C 77 180.450 180.450 179.532 0.918 18325
8253 1 17 . 1 1 77 77 ALA CA C 77 54.820 54.820 55.184 -0.363 18325
8254 1 17 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.357 -0.157 18325
8255 1 17 . 1 1 77 77 ALA H H 77 7.985 7.985 8.304 -0.319 18325
8256 1 17 . 1 1 78 78 LYS N N 78 119.952 119.952 118.515 1.437 18325
8257 1 17 . 1 1 78 78 LYS HA H 78 3.975 3.975 3.902 0.073 18325
8258 1 17 . 1 1 78 78 LYS C C 78 177.949 177.949 178.617 -0.668 18325
8259 1 17 . 1 1 78 78 LYS CA C 78 58.079 58.079 58.362 -0.283 18325
8260 1 17 . 1 1 78 78 LYS CB C 78 31.342 31.342 31.651 -0.309 18325
8261 1 17 . 1 1 78 78 LYS H H 78 7.480 7.480 8.051 -0.571 18325
8262 1 17 . 1 1 79 79 LEU N N 79 118.729 118.729 120.654 -1.925 18325
8263 1 17 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.085 -0.049 18325
8264 1 17 . 1 1 79 79 LEU C C 79 180.234 180.234 178.816 1.418 18325
8265 1 17 . 1 1 79 79 LEU CA C 79 58.096 58.096 58.022 0.075 18325
8266 1 17 . 1 1 79 79 LEU CB C 79 41.776 41.776 42.227 -0.452 18325
8267 1 17 . 1 1 79 79 LEU H H 79 8.075 8.075 8.042 0.033 18325
8268 1 17 . 1 1 80 80 VAL N N 80 118.567 118.567 113.733 4.834 18325
8269 1 17 . 1 1 80 80 VAL HA H 80 3.733 3.733 3.719 0.014 18325
8270 1 17 . 1 1 80 80 VAL C C 80 178.390 178.390 177.459 0.931 18325
8271 1 17 . 1 1 80 80 VAL CA C 80 65.895 65.895 65.367 0.528 18325
8272 1 17 . 1 1 80 80 VAL CB C 80 31.961 31.961 31.807 0.154 18325
8273 1 17 . 1 1 80 80 VAL H H 80 7.867 7.867 8.066 -0.199 18325
8274 1 17 . 1 1 81 81 LYS N N 81 121.106 121.106 119.046 2.060 18325
8275 1 17 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.409 -0.317 18325
8276 1 17 . 1 1 81 81 LYS C C 81 179.434 179.434 179.376 0.058 18325
8277 1 17 . 1 1 81 81 LYS CA C 81 58.943 58.943 58.226 0.717 18325
8278 1 17 . 1 1 81 81 LYS CB C 81 32.497 32.497 32.883 -0.386 18325
8279 1 17 . 1 1 81 81 LYS H H 81 7.565 7.565 7.488 0.077 18325
8280 1 17 . 1 1 82 82 ILE N N 82 117.365 117.365 117.870 -0.505 18325
8281 1 17 . 1 1 82 82 ILE HA H 82 3.953 3.953 4.036 -0.083 18325
8282 1 17 . 1 1 82 82 ILE C C 82 177.482 177.482 177.061 0.421 18325
8283 1 17 . 1 1 82 82 ILE CA C 82 63.598 63.598 63.093 0.505 18325
8284 1 17 . 1 1 82 82 ILE CB C 82 38.372 38.372 37.100 1.272 18325
8285 1 17 . 1 1 82 82 ILE H H 82 8.124 8.124 8.177 -0.053 18325
8286 1 17 . 1 1 83 83 ALA N N 83 123.334 123.334 119.930 3.404 18325
8287 1 17 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.535 -0.256 18325
8288 1 17 . 1 1 83 83 ALA C C 83 179.104 179.104 177.869 1.235 18325
8289 1 17 . 1 1 83 83 ALA CA C 83 53.851 53.851 51.807 2.043 18325
8290 1 17 . 1 1 83 83 ALA CB C 83 18.769 18.769 19.213 -0.444 18325
8291 1 17 . 1 1 83 83 ALA H H 83 7.867 7.867 7.906 -0.039 18325
8292 1 17 . 1 1 84 84 GLY N N 84 105.962 105.962 107.893 -1.931 18325
8293 1 17 . 1 1 84 84 GLY C C 84 174.779 174.779 173.637 1.142 18325
8294 1 17 . 1 1 84 84 GLY CA C 84 45.847 45.847 45.950 -0.103 18325
8295 1 17 . 1 1 84 84 GLY H H 84 8.019 8.019 7.807 0.212 18325
8296 1 17 . 1 1 85 85 LEU N N 85 120.702 120.702 122.682 -1.980 18325
8297 1 17 . 1 1 85 85 LEU HA H 85 4.275 4.275 4.684 -0.409 18325
8298 1 17 . 1 1 85 85 LEU C C 85 177.609 177.609 176.018 1.591 18325
8299 1 17 . 1 1 85 85 LEU CA C 85 55.511 55.511 53.669 1.842 18325
8300 1 17 . 1 1 85 85 LEU CB C 85 42.449 42.449 42.979 -0.530 18325
8301 1 17 . 1 1 85 85 LEU H H 85 7.727 7.727 8.232 -0.505 18325
8302 1 17 . 1 1 86 86 GLU N N 86 120.386 120.386 119.755 0.631 18325
8303 1 17 . 1 1 86 86 GLU HA H 86 4.154 4.154 4.562 -0.408 18325
8304 1 17 . 1 1 86 86 GLU C C 86 176.359 176.359 176.317 0.042 18325
8305 1 17 . 1 1 86 86 GLU CA C 86 56.941 56.941 55.530 1.411 18325
8306 1 17 . 1 1 86 86 GLU CB C 86 30.180 30.180 30.363 -0.183 18325
8307 1 17 . 1 1 86 86 GLU H H 86 8.238 8.238 7.356 0.882 18325
8308 1 17 . 1 1 87 87 HIS N N 87 119.393 119.393 116.350 3.043 18325
8309 1 17 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.276 0.314 18325
8310 1 17 . 1 1 87 87 HIS C C 87 174.000 174.000 173.932 0.068 18325
8311 1 17 . 1 1 87 87 HIS CA C 87 56.146 56.146 57.089 -0.943 18325
8312 1 17 . 1 1 87 87 HIS CB C 87 30.335 30.335 28.956 1.379 18325
8313 1 17 . 1 1 87 87 HIS H H 87 8.177 8.177 8.549 -0.372 18325
8314 1 18 . 1 1 2 2 VAL HA H 2 4.195 4.195 4.223 -0.028 18325
8315 1 18 . 1 1 2 2 VAL C C 2 175.805 175.805 176.158 -0.353 18325
8316 1 18 . 1 1 2 2 VAL CA C 2 62.388 62.388 63.142 -0.754 18325
8317 1 18 . 1 1 2 2 VAL CB C 2 32.777 32.777 29.615 3.162 18325
8318 1 18 . 1 1 3 3 THR N N 3 119.229 119.229 120.669 -1.440 18325
8319 1 18 . 1 1 3 3 THR HA H 3 4.259 4.259 4.253 0.006 18325
8320 1 18 . 1 1 3 3 THR C C 3 173.761 173.761 174.202 -0.441 18325
8321 1 18 . 1 1 3 3 THR CA C 3 61.673 61.673 63.340 -1.667 18325
8322 1 18 . 1 1 3 3 THR CB C 3 69.846 69.846 69.429 0.417 18325
8323 1 18 . 1 1 3 3 THR H H 3 8.256 8.256 8.345 -0.089 18325
8324 1 18 . 1 1 4 4 ALA N N 4 126.635 126.635 122.113 4.522 18325
8325 1 18 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.673 -0.519 18325
8326 1 18 . 1 1 4 4 ALA C C 4 177.002 177.002 175.519 1.483 18325
8327 1 18 . 1 1 4 4 ALA CA C 4 52.159 52.159 51.178 0.981 18325
8328 1 18 . 1 1 4 4 ALA CB C 4 19.512 19.512 21.431 -1.919 18325
8329 1 18 . 1 1 4 4 ALA H H 4 8.367 8.367 7.267 1.100 18325
8330 1 18 . 1 1 5 5 ALA N N 5 123.621 123.621 121.191 2.430 18325
8331 1 18 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.501 -0.234 18325
8332 1 18 . 1 1 5 5 ALA C C 5 176.288 176.288 175.842 0.446 18325
8333 1 18 . 1 1 5 5 ALA CA C 5 52.894 52.894 52.142 0.752 18325
8334 1 18 . 1 1 5 5 ALA CB C 5 19.494 19.494 19.965 -0.471 18325
8335 1 18 . 1 1 5 5 ALA H H 5 8.374 8.374 8.650 -0.276 18325
8336 1 18 . 1 1 6 6 LEU N N 6 115.731 115.731 119.114 -3.383 18325
8337 1 18 . 1 1 6 6 LEU HA H 6 4.648 4.648 4.709 -0.061 18325
8338 1 18 . 1 1 6 6 LEU C C 6 175.007 175.007 174.604 0.403 18325
8339 1 18 . 1 1 6 6 LEU CA C 6 54.263 54.263 54.361 -0.098 18325
8340 1 18 . 1 1 6 6 LEU CB C 6 44.224 44.224 45.927 -1.703 18325
8341 1 18 . 1 1 6 6 LEU H H 6 7.478 7.478 7.392 0.086 18325
8342 1 18 . 1 1 7 7 THR N N 7 119.383 119.383 123.219 -3.836 18325
8343 1 18 . 1 1 7 7 THR HA H 7 4.906 4.906 5.261 -0.355 18325
8344 1 18 . 1 1 7 7 THR C C 7 172.657 172.657 173.355 -0.698 18325
8345 1 18 . 1 1 7 7 THR CA C 7 61.586 61.586 61.772 -0.186 18325
8346 1 18 . 1 1 7 7 THR CB C 7 70.917 70.917 69.716 1.201 18325
8347 1 18 . 1 1 7 7 THR H H 7 8.342 8.342 9.003 -0.661 18325
8348 1 18 . 1 1 8 8 ILE N N 8 124.711 124.711 126.151 -1.440 18325
8349 1 18 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.636 -0.061 18325
8350 1 18 . 1 1 8 8 ILE C C 8 172.650 172.650 174.211 -1.561 18325
8351 1 18 . 1 1 8 8 ILE CA C 8 59.206 59.206 59.630 -0.424 18325
8352 1 18 . 1 1 8 8 ILE CB C 8 40.150 40.150 41.919 -1.770 18325
8353 1 18 . 1 1 8 8 ILE H H 8 9.050 9.050 9.165 -0.115 18325
8354 1 18 . 1 1 9 9 TYR N N 9 128.517 128.517 125.221 3.296 18325
8355 1 18 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.657 0.768 18325
8356 1 18 . 1 1 9 9 TYR C C 9 176.445 176.445 174.895 1.550 18325
8357 1 18 . 1 1 9 9 TYR CA C 9 57.397 57.397 57.815 -0.418 18325
8358 1 18 . 1 1 9 9 TYR CB C 9 39.232 39.232 39.798 -0.566 18325
8359 1 18 . 1 1 9 9 TYR H H 9 9.094 9.094 8.861 0.233 18325
8360 1 18 . 1 1 10 10 THR N N 10 112.214 112.214 113.600 -1.386 18325
8361 1 18 . 1 1 10 10 THR HA H 10 4.778 4.778 4.716 0.062 18325
8362 1 18 . 1 1 10 10 THR C C 10 173.410 173.410 172.872 0.538 18325
8363 1 18 . 1 1 10 10 THR CA C 10 59.893 59.893 60.362 -0.469 18325
8364 1 18 . 1 1 10 10 THR CB C 10 72.063 72.063 71.781 0.282 18325
8365 1 18 . 1 1 10 10 THR H H 10 8.824 8.824 8.171 0.653 18325
8366 1 18 . 1 1 11 11 THR N N 11 103.866 103.866 111.708 -7.842 18325
8367 1 18 . 1 1 11 11 THR HA H 11 4.585 4.585 4.353 0.232 18325
8368 1 18 . 1 1 11 11 THR C C 11 176.335 176.335 174.863 1.472 18325
8369 1 18 . 1 1 11 11 THR CA C 11 60.389 60.389 59.935 0.454 18325
8370 1 18 . 1 1 11 11 THR CB C 11 72.584 72.584 71.501 1.083 18325
8371 1 18 . 1 1 11 11 THR H H 11 6.667 6.667 8.218 -1.551 18325
8372 1 18 . 1 1 12 12 SER N N 12 116.991 116.991 114.754 2.237 18325
8373 1 18 . 1 1 12 12 SER HA H 12 4.134 4.134 4.541 -0.407 18325
8374 1 18 . 1 1 12 12 SER C C 12 174.863 174.863 174.838 0.025 18325
8375 1 18 . 1 1 12 12 SER CA C 12 61.183 61.183 59.501 1.682 18325
8376 1 18 . 1 1 12 12 SER CB C 12 62.845 62.845 63.511 -0.666 18325
8377 1 18 . 1 1 12 12 SER H H 12 9.561 9.561 9.220 0.342 18325
8378 1 18 . 1 1 13 13 TRP N N 13 117.675 117.675 120.678 -3.003 18325
8379 1 18 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.817 -0.042 18325
8380 1 18 . 1 1 13 13 TRP C C 13 175.144 175.144 175.691 -0.547 18325
8381 1 18 . 1 1 13 13 TRP CA C 13 54.555 54.555 55.182 -0.627 18325
8382 1 18 . 1 1 13 13 TRP CB C 13 28.292 28.292 27.642 0.650 18325
8383 1 18 . 1 1 13 13 TRP H H 13 6.996 6.996 7.516 -0.520 18325
8384 1 18 . 1 1 14 14 CYS N N 14 120.513 120.513 118.006 2.507 18325
8385 1 18 . 1 1 14 14 CYS HA H 14 4.498 4.498 4.825 -0.327 18325
8386 1 18 . 1 1 14 14 CYS CA C 14 53.859 53.859 58.246 -4.387 18325
8387 1 18 . 1 1 14 14 CYS CB C 14 44.419 44.419 30.036 14.383 18325
8388 1 18 . 1 1 14 14 CYS H H 14 6.755 6.755 7.508 -0.753 18325
8389 1 18 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.274 0.103 18325
8390 1 18 . 1 1 16 16 TYR C C 16 177.495 177.495 176.834 0.661 18325
8391 1 18 . 1 1 16 16 TYR CA C 16 60.662 60.662 60.268 0.394 18325
8392 1 18 . 1 1 16 16 TYR CB C 16 37.852 37.852 38.774 -0.922 18325
8393 1 18 . 1 1 17 17 CYS N N 17 114.160 114.160 116.249 -2.089 18325
8394 1 18 . 1 1 17 17 CYS HA H 17 3.923 3.923 4.019 -0.096 18325
8395 1 18 . 1 1 17 17 CYS C C 17 174.680 174.680 176.667 -1.987 18325
8396 1 18 . 1 1 17 17 CYS CA C 17 65.302 65.302 60.562 4.740 18325
8397 1 18 . 1 1 17 17 CYS CB C 17 33.986 33.986 26.046 7.941 18325
8398 1 18 . 1 1 17 17 CYS H H 17 8.495 8.495 8.167 0.328 18325
8399 1 18 . 1 1 18 18 LEU N N 18 119.295 119.295 121.333 -2.038 18325
8400 1 18 . 1 1 18 18 LEU HA H 18 4.031 4.031 3.970 0.061 18325
8401 1 18 . 1 1 18 18 LEU C C 18 179.001 179.001 178.944 0.057 18325
8402 1 18 . 1 1 18 18 LEU CA C 18 58.234 58.234 56.854 1.380 18325
8403 1 18 . 1 1 18 18 LEU CB C 18 41.205 41.205 41.050 0.155 18325
8404 1 18 . 1 1 18 18 LEU H H 18 7.311 7.311 7.502 -0.191 18325
8405 1 18 . 1 1 19 19 ARG N N 19 119.771 119.771 120.432 -0.661 18325
8406 1 18 . 1 1 19 19 ARG HA H 19 3.998 3.998 3.947 0.051 18325
8407 1 18 . 1 1 19 19 ARG C C 19 178.949 178.949 178.432 0.517 18325
8408 1 18 . 1 1 19 19 ARG CA C 19 59.597 59.597 59.438 0.159 18325
8409 1 18 . 1 1 19 19 ARG CB C 19 30.006 30.006 29.942 0.064 18325
8410 1 18 . 1 1 19 19 ARG H H 19 7.469 7.469 7.441 0.028 18325
8411 1 18 . 1 1 20 20 LEU N N 20 120.802 120.802 119.662 1.140 18325
8412 1 18 . 1 1 20 20 LEU HA H 20 4.097 4.097 3.970 0.127 18325
8413 1 18 . 1 1 20 20 LEU C C 20 177.928 177.928 178.038 -0.110 18325
8414 1 18 . 1 1 20 20 LEU CA C 20 57.757 57.757 57.769 -0.012 18325
8415 1 18 . 1 1 20 20 LEU CB C 20 40.940 40.940 41.707 -0.767 18325
8416 1 18 . 1 1 20 20 LEU H H 20 8.150 8.150 7.427 0.723 18325
8417 1 18 . 1 1 21 21 LYS N N 21 117.910 117.910 118.884 -0.974 18325
8418 1 18 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.561 -0.281 18325
8419 1 18 . 1 1 21 21 LYS C C 21 178.851 178.851 178.802 0.049 18325
8420 1 18 . 1 1 21 21 LYS CA C 21 61.353 61.353 60.159 1.194 18325
8421 1 18 . 1 1 21 21 LYS CB C 21 31.698 31.698 32.363 -0.665 18325
8422 1 18 . 1 1 21 21 LYS H H 21 7.854 7.854 8.142 -0.288 18325
8423 1 18 . 1 1 22 22 THR N N 22 115.451 115.451 112.907 2.544 18325
8424 1 18 . 1 1 22 22 THR HA H 22 3.889 3.889 4.122 -0.233 18325
8425 1 18 . 1 1 22 22 THR C C 22 176.571 176.571 176.347 0.224 18325
8426 1 18 . 1 1 22 22 THR CA C 22 66.849 66.849 65.698 1.151 18325
8427 1 18 . 1 1 22 22 THR CB C 22 68.793 68.793 68.246 0.547 18325
8428 1 18 . 1 1 22 22 THR H H 22 8.125 8.125 7.956 0.169 18325
8429 1 18 . 1 1 23 23 ALA N N 23 125.218 125.218 124.401 0.817 18325
8430 1 18 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.074 0.200 18325
8431 1 18 . 1 1 23 23 ALA C C 23 180.948 180.948 179.697 1.251 18325
8432 1 18 . 1 1 23 23 ALA CA C 23 55.003 55.003 54.918 0.085 18325
8433 1 18 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.156 0.686 18325
8434 1 18 . 1 1 23 23 ALA H H 23 7.892 7.892 7.736 0.156 18325
8435 1 18 . 1 1 24 24 LEU N N 24 120.007 120.007 117.748 2.259 18325
8436 1 18 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.962 0.056 18325
8437 1 18 . 1 1 24 24 LEU C C 24 179.738 179.738 179.318 0.420 18325
8438 1 18 . 1 1 24 24 LEU CA C 24 58.807 58.807 57.768 1.039 18325
8439 1 18 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.618 -1.804 18325
8440 1 18 . 1 1 24 24 LEU H H 24 8.775 8.775 8.395 0.380 18325
8441 1 18 . 1 1 25 25 THR N N 25 118.777 118.777 116.386 2.391 18325
8442 1 18 . 1 1 25 25 THR HA H 25 4.175 4.175 4.135 0.040 18325
8443 1 18 . 1 1 25 25 THR C C 25 178.539 178.539 177.097 1.442 18325
8444 1 18 . 1 1 25 25 THR CA C 25 67.138 67.138 66.797 0.341 18325
8445 1 18 . 1 1 25 25 THR CB C 25 68.679 68.679 68.528 0.151 18325
8446 1 18 . 1 1 25 25 THR H H 25 8.636 8.636 8.002 0.634 18325
8447 1 18 . 1 1 26 26 ALA N N 26 126.122 126.122 122.771 3.351 18325
8448 1 18 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.233 -0.045 18325
8449 1 18 . 1 1 26 26 ALA C C 26 178.536 178.536 177.925 0.611 18325
8450 1 18 . 1 1 26 26 ALA CA C 26 55.134 55.134 54.256 0.878 18325
8451 1 18 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.367 -0.480 18325
8452 1 18 . 1 1 26 26 ALA H H 26 8.357 8.357 8.088 0.269 18325
8453 1 18 . 1 1 27 27 ASN N N 27 114.755 114.755 115.389 -0.634 18325
8454 1 18 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.711 -0.014 18325
8455 1 18 . 1 1 27 27 ASN C C 27 172.751 172.751 175.155 -2.404 18325
8456 1 18 . 1 1 27 27 ASN CA C 27 53.712 53.712 52.914 0.798 18325
8457 1 18 . 1 1 27 27 ASN CB C 27 40.648 40.648 38.866 1.782 18325
8458 1 18 . 1 1 27 27 ASN H H 27 7.456 7.456 7.378 0.078 18325
8459 1 18 . 1 1 28 28 ARG N N 28 115.444 115.444 115.125 0.319 18325
8460 1 18 . 1 1 28 28 ARG HA H 28 3.934 3.934 4.001 -0.067 18325
8461 1 18 . 1 1 28 28 ARG C C 28 175.075 175.075 175.158 -0.083 18325
8462 1 18 . 1 1 28 28 ARG CA C 28 57.091 57.091 56.903 0.188 18325
8463 1 18 . 1 1 28 28 ARG CB C 28 26.393 26.393 27.032 -0.639 18325
8464 1 18 . 1 1 28 28 ARG H H 28 8.183 8.183 8.040 0.143 18325
8465 1 18 . 1 1 29 29 ILE N N 29 120.976 120.976 120.756 0.220 18325
8466 1 18 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.164 -0.085 18325
8467 1 18 . 1 1 29 29 ILE C C 29 175.050 175.050 174.796 0.254 18325
8468 1 18 . 1 1 29 29 ILE CA C 29 60.664 60.664 61.268 -0.604 18325
8469 1 18 . 1 1 29 29 ILE CB C 29 38.695 38.695 38.151 0.544 18325
8470 1 18 . 1 1 29 29 ILE H H 29 8.004 8.004 8.220 -0.216 18325
8471 1 18 . 1 1 30 30 ALA N N 30 131.099 131.099 131.390 -0.291 18325
8472 1 18 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.559 -0.391 18325
8473 1 18 . 1 1 30 30 ALA C C 30 176.360 176.360 175.514 0.846 18325
8474 1 18 . 1 1 30 30 ALA CA C 30 51.819 51.819 51.246 0.573 18325
8475 1 18 . 1 1 30 30 ALA CB C 30 19.641 19.641 19.982 -0.341 18325
8476 1 18 . 1 1 30 30 ALA H H 30 8.329 8.329 8.573 -0.244 18325
8477 1 18 . 1 1 31 31 TYR N N 31 114.363 114.363 119.814 -5.451 18325
8478 1 18 . 1 1 31 31 TYR HA H 31 5.133 5.133 5.464 -0.331 18325
8479 1 18 . 1 1 31 31 TYR C C 31 173.470 173.470 174.080 -0.610 18325
8480 1 18 . 1 1 31 31 TYR CA C 31 55.522 55.522 54.747 0.775 18325
8481 1 18 . 1 1 31 31 TYR CB C 31 41.184 41.184 41.243 -0.059 18325
8482 1 18 . 1 1 31 31 TYR H H 31 7.509 7.509 7.790 -0.281 18325
8483 1 18 . 1 1 32 32 ASP N N 32 120.754 120.754 120.679 0.075 18325
8484 1 18 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.852 0.074 18325
8485 1 18 . 1 1 32 32 ASP C C 32 174.611 174.611 175.089 -0.478 18325
8486 1 18 . 1 1 32 32 ASP CA C 32 52.875 52.875 53.037 -0.162 18325
8487 1 18 . 1 1 32 32 ASP CB C 32 42.843 42.843 43.329 -0.486 18325
8488 1 18 . 1 1 32 32 ASP H H 32 8.517 8.517 9.022 -0.505 18325
8489 1 18 . 1 1 33 33 GLU N N 33 124.650 124.650 120.509 4.141 18325
8490 1 18 . 1 1 33 33 GLU HA H 33 5.205 5.205 5.433 -0.228 18325
8491 1 18 . 1 1 33 33 GLU C C 33 175.049 175.049 175.987 -0.938 18325
8492 1 18 . 1 1 33 33 GLU CA C 33 54.489 54.489 54.249 0.240 18325
8493 1 18 . 1 1 33 33 GLU CB C 33 32.425 32.425 31.802 0.623 18325
8494 1 18 . 1 1 33 33 GLU H H 33 8.836 8.836 8.507 0.329 18325
8495 1 18 . 1 1 34 34 VAL N N 34 128.112 128.112 122.285 5.827 18325
8496 1 18 . 1 1 34 34 VAL HA H 34 4.062 4.062 4.122 -0.060 18325
8497 1 18 . 1 1 34 34 VAL C C 34 173.620 173.620 176.106 -2.486 18325
8498 1 18 . 1 1 34 34 VAL CA C 34 61.427 61.427 61.382 0.045 18325
8499 1 18 . 1 1 34 34 VAL CB C 34 34.690 34.690 32.963 1.727 18325
8500 1 18 . 1 1 34 34 VAL H H 34 8.615 8.615 8.301 0.314 18325
8501 1 18 . 1 1 35 35 ASP N N 35 127.319 127.319 125.806 1.513 18325
8502 1 18 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.378 0.559 18325
8503 1 18 . 1 1 35 35 ASP C C 35 179.260 179.260 178.161 1.099 18325
8504 1 18 . 1 1 35 35 ASP CA C 35 61.428 61.428 56.938 4.490 18325
8505 1 18 . 1 1 35 35 ASP CB C 35 41.858 41.858 40.255 1.603 18325
8506 1 18 . 1 1 35 35 ASP H H 35 8.458 8.458 8.936 -0.478 18325
8507 1 18 . 1 1 36 36 ILE N N 36 119.537 119.537 116.306 3.231 18325
8508 1 18 . 1 1 36 36 ILE HA H 36 4.360 4.360 4.052 0.308 18325
8509 1 18 . 1 1 36 36 ILE C C 36 176.943 176.943 177.289 -0.346 18325
8510 1 18 . 1 1 36 36 ILE CA C 36 63.681 63.681 63.597 0.083 18325
8511 1 18 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.602 0.035 18325
8512 1 18 . 1 1 36 36 ILE H H 36 8.833 8.833 7.327 1.506 18325
8513 1 18 . 1 1 37 37 GLU N N 37 122.074 122.074 119.289 2.785 18325
8514 1 18 . 1 1 37 37 GLU HA H 37 4.131 4.131 3.824 0.307 18325
8515 1 18 . 1 1 37 37 GLU C C 37 177.224 177.224 177.392 -0.168 18325
8516 1 18 . 1 1 37 37 GLU CA C 37 58.503 58.503 59.087 -0.584 18325
8517 1 18 . 1 1 37 37 GLU CB C 37 29.312 29.312 29.395 -0.083 18325
8518 1 18 . 1 1 37 37 GLU H H 37 8.815 8.815 8.372 0.443 18325
8519 1 18 . 1 1 38 38 HIS N N 38 114.611 114.611 115.996 -1.385 18325
8520 1 18 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.707 0.139 18325
8521 1 18 . 1 1 38 38 HIS C C 38 174.168 174.168 175.311 -1.143 18325
8522 1 18 . 1 1 38 38 HIS CA C 38 55.189 55.189 56.563 -1.374 18325
8523 1 18 . 1 1 38 38 HIS CB C 38 30.936 30.936 31.650 -0.714 18325
8524 1 18 . 1 1 38 38 HIS H H 38 7.661 7.661 8.197 -0.536 18325
8525 1 18 . 1 1 39 39 ASN N N 39 117.944 117.944 119.050 -1.106 18325
8526 1 18 . 1 1 39 39 ASN HA H 39 4.900 4.900 4.664 0.236 18325
8527 1 18 . 1 1 39 39 ASN C C 39 173.626 173.626 175.744 -2.118 18325
8528 1 18 . 1 1 39 39 ASN CA C 39 52.634 52.634 51.742 0.892 18325
8529 1 18 . 1 1 39 39 ASN CB C 39 39.436 39.436 38.441 0.995 18325
8530 1 18 . 1 1 39 39 ASN H H 39 7.095 7.095 8.294 -1.199 18325
8531 1 18 . 1 1 40 40 ARG N N 40 126.603 126.603 126.687 -0.084 18325
8532 1 18 . 1 1 40 40 ARG HA H 40 4.142 4.142 4.245 -0.103 18325
8533 1 18 . 1 1 40 40 ARG C C 40 178.292 178.292 176.910 1.382 18325
8534 1 18 . 1 1 40 40 ARG CA C 40 59.371 59.371 58.554 0.817 18325
8535 1 18 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.742 0.176 18325
8536 1 18 . 1 1 40 40 ARG H H 40 8.750 8.750 8.359 0.391 18325
8537 1 18 . 1 1 41 41 ALA N N 41 122.148 122.148 122.836 -0.688 18325
8538 1 18 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.169 0.033 18325
8539 1 18 . 1 1 41 41 ALA C C 41 181.236 181.236 179.241 1.995 18325
8540 1 18 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.873 0.203 18325
8541 1 18 . 1 1 41 41 ALA CB C 41 17.795 17.795 18.023 -0.228 18325
8542 1 18 . 1 1 41 41 ALA H H 41 8.460 8.460 7.804 0.656 18325
8543 1 18 . 1 1 42 42 ALA N N 42 122.394 122.394 119.953 2.441 18325
8544 1 18 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.176 0.048 18325
8545 1 18 . 1 1 42 42 ALA C C 42 178.949 178.949 179.043 -0.094 18325
8546 1 18 . 1 1 42 42 ALA CA C 42 54.423 54.423 54.229 0.194 18325
8547 1 18 . 1 1 42 42 ALA CB C 42 19.786 19.786 18.364 1.422 18325
8548 1 18 . 1 1 42 42 ALA H H 42 7.973 7.973 8.201 -0.228 18325
8549 1 18 . 1 1 43 43 ALA N N 43 120.965 120.965 121.378 -0.413 18325
8550 1 18 . 1 1 43 43 ALA HA H 43 3.788 3.788 4.114 -0.326 18325
8551 1 18 . 1 1 43 43 ALA C C 43 179.994 179.994 179.586 0.408 18325
8552 1 18 . 1 1 43 43 ALA CA C 43 56.189 56.189 55.037 1.152 18325
8553 1 18 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.294 -0.261 18325
8554 1 18 . 1 1 43 43 ALA H H 43 8.170 8.170 7.760 0.410 18325
8555 1 18 . 1 1 44 44 GLU N N 44 117.052 117.052 119.757 -2.705 18325
8556 1 18 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.099 -0.146 18325
8557 1 18 . 1 1 44 44 GLU C C 44 179.698 179.698 178.548 1.150 18325
8558 1 18 . 1 1 44 44 GLU CA C 44 58.934 58.934 58.924 0.010 18325
8559 1 18 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.486 -0.360 18325
8560 1 18 . 1 1 44 44 GLU H H 44 8.240 8.240 7.799 0.441 18325
8561 1 18 . 1 1 45 45 PHE N N 45 122.282 122.282 120.392 1.890 18325
8562 1 18 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.205 0.027 18325
8563 1 18 . 1 1 45 45 PHE C C 45 177.994 177.994 177.102 0.892 18325
8564 1 18 . 1 1 45 45 PHE CA C 45 61.170 61.170 61.065 0.105 18325
8565 1 18 . 1 1 45 45 PHE CB C 45 38.225 38.225 39.162 -0.937 18325
8566 1 18 . 1 1 45 45 PHE H H 45 8.068 8.068 7.500 0.568 18325
8567 1 18 . 1 1 46 46 VAL N N 46 120.442 120.442 118.652 1.790 18325
8568 1 18 . 1 1 46 46 VAL HA H 46 2.908 2.908 3.150 -0.242 18325
8569 1 18 . 1 1 46 46 VAL C C 46 178.852 178.852 178.000 0.852 18325
8570 1 18 . 1 1 46 46 VAL CA C 46 67.186 67.186 66.377 0.809 18325
8571 1 18 . 1 1 46 46 VAL CB C 46 31.143 31.143 30.495 0.648 18325
8572 1 18 . 1 1 46 46 VAL H H 46 8.363 8.363 8.164 0.199 18325
8573 1 18 . 1 1 47 47 GLY N N 47 105.864 105.864 107.434 -1.570 18325
8574 1 18 . 1 1 47 47 GLY C C 47 176.759 176.759 175.549 1.210 18325
8575 1 18 . 1 1 47 47 GLY CA C 47 46.690 46.690 47.250 -0.560 18325
8576 1 18 . 1 1 47 47 GLY H H 47 8.187 8.187 8.184 0.003 18325
8577 1 18 . 1 1 48 48 SER N N 48 118.796 118.796 114.882 3.914 18325
8578 1 18 . 1 1 48 48 SER HA H 48 4.201 4.201 4.311 -0.110 18325
8579 1 18 . 1 1 48 48 SER C C 48 176.571 176.571 175.540 1.031 18325
8580 1 18 . 1 1 48 48 SER CA C 48 61.440 61.440 59.966 1.474 18325
8581 1 18 . 1 1 48 48 SER CB C 48 62.661 62.661 63.741 -1.080 18325
8582 1 18 . 1 1 48 48 SER H H 48 8.045 8.045 7.448 0.597 18325
8583 1 18 . 1 1 49 49 VAL N N 49 114.967 114.967 119.839 -4.872 18325
8584 1 18 . 1 1 49 49 VAL HA H 49 4.356 4.356 3.613 0.743 18325
8585 1 18 . 1 1 49 49 VAL C C 49 175.807 175.807 175.975 -0.168 18325
8586 1 18 . 1 1 49 49 VAL CA C 49 62.064 62.064 64.616 -2.552 18325
8587 1 18 . 1 1 49 49 VAL CB C 49 31.110 31.110 31.867 -0.757 18325
8588 1 18 . 1 1 49 49 VAL H H 49 7.040 7.040 7.298 -0.258 18325
8589 1 18 . 1 1 50 50 ASN N N 50 119.765 119.765 116.028 3.737 18325
8590 1 18 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.583 0.551 18325
8591 1 18 . 1 1 50 50 ASN C C 50 176.473 176.473 175.175 1.298 18325
8592 1 18 . 1 1 50 50 ASN CA C 50 53.454 53.454 53.465 -0.011 18325
8593 1 18 . 1 1 50 50 ASN CB C 50 40.815 40.815 39.882 0.933 18325
8594 1 18 . 1 1 50 50 ASN H H 50 7.364 7.364 7.762 -0.398 18325
8595 1 18 . 1 1 51 51 GLY N N 51 110.407 110.407 107.329 3.078 18325
8596 1 18 . 1 1 51 51 GLY C C 51 174.967 174.967 174.570 0.397 18325
8597 1 18 . 1 1 51 51 GLY CA C 51 47.543 47.543 45.597 1.946 18325
8598 1 18 . 1 1 51 51 GLY H H 51 8.546 8.546 8.660 -0.114 18325
8599 1 18 . 1 1 52 52 GLY N N 52 106.482 106.482 108.974 -2.492 18325
8600 1 18 . 1 1 52 52 GLY C C 52 174.134 174.134 174.447 -0.313 18325
8601 1 18 . 1 1 52 52 GLY CA C 52 44.424 44.424 44.750 -0.326 18325
8602 1 18 . 1 1 52 52 GLY H H 52 8.810 8.810 8.422 0.388 18325
8603 1 18 . 1 1 53 53 ASN N N 53 119.129 119.129 118.284 0.845 18325
8604 1 18 . 1 1 53 53 ASN HA H 53 4.738 4.738 4.805 -0.067 18325
8605 1 18 . 1 1 53 53 ASN C C 53 174.828 174.828 174.292 0.536 18325
8606 1 18 . 1 1 53 53 ASN CA C 53 52.654 52.654 52.152 0.502 18325
8607 1 18 . 1 1 53 53 ASN CB C 53 40.237 40.237 40.612 -0.375 18325
8608 1 18 . 1 1 53 53 ASN H H 53 7.330 7.330 8.267 -0.937 18325
8609 1 18 . 1 1 54 54 ARG N N 54 125.094 125.094 123.438 1.656 18325
8610 1 18 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.319 -0.185 18325
8611 1 18 . 1 1 54 54 ARG C C 54 174.863 174.863 175.952 -1.089 18325
8612 1 18 . 1 1 54 54 ARG CA C 54 55.132 55.132 56.998 -1.866 18325
8613 1 18 . 1 1 54 54 ARG CB C 54 27.409 27.409 29.599 -2.190 18325
8614 1 18 . 1 1 54 54 ARG H H 54 8.826 8.826 8.576 0.250 18325
8615 1 18 . 1 1 55 55 THR N N 55 117.920 117.920 121.707 -3.787 18325
8616 1 18 . 1 1 55 55 THR HA H 55 4.020 4.020 4.412 -0.392 18325
8617 1 18 . 1 1 55 55 THR C C 55 172.459 172.459 175.224 -2.765 18325
8618 1 18 . 1 1 55 55 THR CA C 55 63.451 63.451 61.958 1.493 18325
8619 1 18 . 1 1 55 55 THR CB C 55 69.158 69.158 70.010 -0.853 18325
8620 1 18 . 1 1 55 55 THR H H 55 6.994 6.994 9.146 -2.152 18325
8621 1 18 . 1 1 56 56 VAL N N 56 117.300 117.300 125.758 -8.458 18325
8622 1 18 . 1 1 56 56 VAL HA H 56 4.735 4.735 4.087 0.648 18325
8623 1 18 . 1 1 56 56 VAL CA C 56 56.872 56.872 66.032 -9.160 18325
8624 1 18 . 1 1 56 56 VAL CB C 56 34.378 34.378 29.345 5.034 18325
8625 1 18 . 1 1 56 56 VAL H H 56 8.172 8.172 8.900 -0.728 18325
8626 1 18 . 1 1 57 57 PRO HA H 57 5.350 5.350 4.892 0.458 18325
8627 1 18 . 1 1 57 57 PRO C C 57 176.879 176.879 176.019 0.860 18325
8628 1 18 . 1 1 57 57 PRO CA C 57 62.246 62.246 61.918 0.328 18325
8629 1 18 . 1 1 57 57 PRO CB C 57 34.293 34.293 29.775 4.518 18325
8630 1 18 . 1 1 58 58 THR N N 58 120.440 120.440 117.216 3.224 18325
8631 1 18 . 1 1 58 58 THR HA H 58 5.042 5.042 4.779 0.263 18325
8632 1 18 . 1 1 58 58 THR C C 58 172.321 172.321 173.460 -1.139 18325
8633 1 18 . 1 1 58 58 THR CA C 58 63.449 63.449 63.822 -0.373 18325
8634 1 18 . 1 1 58 58 THR CB C 58 71.892 71.892 70.389 1.503 18325
8635 1 18 . 1 1 58 58 THR H H 58 7.948 7.948 8.420 -0.472 18325
8636 1 18 . 1 1 59 59 VAL N N 59 126.444 126.444 125.932 0.512 18325
8637 1 18 . 1 1 59 59 VAL HA H 59 5.095 5.095 5.065 0.030 18325
8638 1 18 . 1 1 59 59 VAL C C 59 173.176 173.176 173.355 -0.179 18325
8639 1 18 . 1 1 59 59 VAL CA C 59 60.133 60.133 59.586 0.547 18325
8640 1 18 . 1 1 59 59 VAL CB C 59 34.117 34.117 36.225 -2.108 18325
8641 1 18 . 1 1 59 59 VAL H H 59 9.428 9.428 9.136 0.292 18325
8642 1 18 . 1 1 60 60 LYS N N 60 126.183 126.183 127.216 -1.033 18325
8643 1 18 . 1 1 60 60 LYS HA H 60 5.379 5.379 5.298 0.081 18325
8644 1 18 . 1 1 60 60 LYS C C 60 175.404 175.404 175.097 0.307 18325
8645 1 18 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.791 -0.180 18325
8646 1 18 . 1 1 60 60 LYS CB C 60 37.601 37.601 35.343 2.259 18325
8647 1 18 . 1 1 60 60 LYS H H 60 9.214 9.214 9.084 0.130 18325
8648 1 18 . 1 1 61 61 PHE N N 61 126.709 126.709 123.919 2.790 18325
8649 1 18 . 1 1 61 61 PHE HA H 61 4.736 4.736 4.860 -0.124 18325
8650 1 18 . 1 1 61 61 PHE C C 61 178.102 178.102 177.316 0.786 18325
8651 1 18 . 1 1 61 61 PHE CA C 61 58.048 58.048 57.540 0.508 18325
8652 1 18 . 1 1 61 61 PHE CB C 61 41.221 41.221 40.733 0.488 18325
8653 1 18 . 1 1 61 61 PHE H H 61 9.069 9.069 9.551 -0.482 18325
8654 1 18 . 1 1 62 62 ALA N N 62 123.358 123.358 124.747 -1.389 18325
8655 1 18 . 1 1 62 62 ALA HA H 62 4.134 4.134 4.075 0.059 18325
8656 1 18 . 1 1 62 62 ALA C C 62 177.754 177.754 178.120 -0.366 18325
8657 1 18 . 1 1 62 62 ALA CA C 62 54.940 54.940 54.528 0.412 18325
8658 1 18 . 1 1 62 62 ALA CB C 62 19.243 19.243 18.556 0.687 18325
8659 1 18 . 1 1 62 62 ALA H H 62 9.728 9.728 8.772 0.956 18325
8660 1 18 . 1 1 63 63 ASP N N 63 113.412 113.412 117.616 -4.204 18325
8661 1 18 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.511 0.075 18325
8662 1 18 . 1 1 63 63 ASP C C 63 177.032 177.032 177.703 -0.671 18325
8663 1 18 . 1 1 63 63 ASP CA C 63 53.141 53.141 54.268 -1.127 18325
8664 1 18 . 1 1 63 63 ASP CB C 63 40.040 40.040 41.025 -0.985 18325
8665 1 18 . 1 1 63 63 ASP H H 63 7.675 7.675 7.994 -0.319 18325
8666 1 18 . 1 1 64 64 GLY N N 64 109.285 109.285 106.925 2.360 18325
8667 1 18 . 1 1 64 64 GLY C C 64 173.680 173.680 174.327 -0.647 18325
8668 1 18 . 1 1 64 64 GLY CA C 64 45.328 45.328 45.191 0.136 18325
8669 1 18 . 1 1 64 64 GLY H H 64 8.361 8.361 8.290 0.071 18325
8670 1 18 . 1 1 65 65 SER N N 65 117.733 117.733 117.204 0.529 18325
8671 1 18 . 1 1 65 65 SER HA H 65 4.567 4.567 4.678 -0.111 18325
8672 1 18 . 1 1 65 65 SER C C 65 173.595 173.595 173.863 -0.268 18325
8673 1 18 . 1 1 65 65 SER CA C 65 58.964 58.964 58.727 0.236 18325
8674 1 18 . 1 1 65 65 SER CB C 65 64.637 64.637 64.139 0.498 18325
8675 1 18 . 1 1 65 65 SER H H 65 8.287 8.287 7.868 0.419 18325
8676 1 18 . 1 1 66 66 THR N N 66 106.725 106.725 114.870 -8.145 18325
8677 1 18 . 1 1 66 66 THR HA H 66 6.250 6.250 5.610 0.640 18325
8678 1 18 . 1 1 66 66 THR C C 66 175.730 175.730 174.174 1.556 18325
8679 1 18 . 1 1 66 66 THR CA C 66 59.494 59.494 60.198 -0.704 18325
8680 1 18 . 1 1 66 66 THR CB C 66 73.049 73.049 71.450 1.599 18325
8681 1 18 . 1 1 66 66 THR H H 66 8.221 8.221 8.288 -0.067 18325
8682 1 18 . 1 1 67 67 LEU N N 67 117.517 117.517 124.911 -7.394 18325
8683 1 18 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.814 0.054 18325
8684 1 18 . 1 1 67 67 LEU C C 67 176.030 176.030 175.942 0.088 18325
8685 1 18 . 1 1 67 67 LEU CA C 67 54.768 54.768 54.022 0.746 18325
8686 1 18 . 1 1 67 67 LEU CB C 67 47.406 47.406 46.042 1.364 18325
8687 1 18 . 1 1 67 67 LEU H H 67 8.763 8.763 9.152 -0.389 18325
8688 1 18 . 1 1 68 68 THR N N 68 120.988 120.988 119.037 1.951 18325
8689 1 18 . 1 1 68 68 THR HA H 68 4.616 4.616 4.527 0.089 18325
8690 1 18 . 1 1 68 68 THR C C 68 173.201 173.201 174.069 -0.868 18325
8691 1 18 . 1 1 68 68 THR CA C 68 62.802 62.802 61.922 0.879 18325
8692 1 18 . 1 1 68 68 THR CB C 68 69.226 69.226 69.270 -0.044 18325
8693 1 18 . 1 1 68 68 THR H H 68 9.226 9.226 8.578 0.648 18325
8694 1 18 . 1 1 69 69 ASN N N 69 122.679 122.679 121.034 1.645 18325
8695 1 18 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.591 -0.301 18325
8696 1 18 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.466 1.000 18325
8697 1 18 . 1 1 69 69 ASN CB C 69 38.731 38.731 37.387 1.344 18325
8698 1 18 . 1 1 69 69 ASN H H 69 9.097 9.097 8.734 0.363 18325
8699 1 18 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.650 0.219 18325
8700 1 18 . 1 1 70 70 PRO C C 70 177.239 177.239 176.066 1.173 18325
8701 1 18 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.410 0.647 18325
8702 1 18 . 1 1 70 70 PRO CB C 70 32.153 32.153 32.901 -0.748 18325
8703 1 18 . 1 1 71 71 SER N N 71 115.373 115.373 115.822 -0.449 18325
8704 1 18 . 1 1 71 71 SER HA H 71 4.620 4.620 4.485 0.135 18325
8705 1 18 . 1 1 71 71 SER C C 71 175.966 175.966 176.040 -0.074 18325
8706 1 18 . 1 1 71 71 SER CA C 71 56.624 56.624 57.507 -0.883 18325
8707 1 18 . 1 1 71 71 SER CB C 71 65.562 65.562 64.847 0.714 18325
8708 1 18 . 1 1 71 71 SER H H 71 8.932 8.932 8.501 0.431 18325
8709 1 18 . 1 1 72 72 ALA N N 72 124.008 124.008 126.878 -2.870 18325
8710 1 18 . 1 1 72 72 ALA HA H 72 3.763 3.763 4.051 -0.288 18325
8711 1 18 . 1 1 72 72 ALA C C 72 179.550 179.550 179.483 0.067 18325
8712 1 18 . 1 1 72 72 ALA CA C 72 55.970 55.970 55.147 0.823 18325
8713 1 18 . 1 1 72 72 ALA CB C 72 17.873 17.873 18.356 -0.483 18325
8714 1 18 . 1 1 72 72 ALA H H 72 9.235 9.235 8.940 0.295 18325
8715 1 18 . 1 1 73 73 ASP N N 73 116.584 116.584 118.382 -1.798 18325
8716 1 18 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.343 -0.013 18325
8717 1 18 . 1 1 73 73 ASP C C 73 179.219 179.219 178.973 0.246 18325
8718 1 18 . 1 1 73 73 ASP CA C 73 57.583 57.583 58.023 -0.440 18325
8719 1 18 . 1 1 73 73 ASP CB C 73 40.300 40.300 40.343 -0.042 18325
8720 1 18 . 1 1 73 73 ASP H H 73 8.277 8.277 8.756 -0.479 18325
8721 1 18 . 1 1 74 74 GLU N N 74 122.057 122.057 120.538 1.519 18325
8722 1 18 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.089 -0.074 18325
8723 1 18 . 1 1 74 74 GLU C C 74 180.045 180.045 179.344 0.701 18325
8724 1 18 . 1 1 74 74 GLU CA C 74 59.199 59.199 59.129 0.070 18325
8725 1 18 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.849 0.224 18325
8726 1 18 . 1 1 74 74 GLU H H 74 7.925 7.925 7.584 0.341 18325
8727 1 18 . 1 1 75 75 VAL N N 75 120.141 120.141 120.357 -0.216 18325
8728 1 18 . 1 1 75 75 VAL HA H 75 3.681 3.681 3.863 -0.182 18325
8729 1 18 . 1 1 75 75 VAL C C 75 177.008 177.008 177.856 -0.848 18325
8730 1 18 . 1 1 75 75 VAL CA C 75 67.172 67.172 67.005 0.166 18325
8731 1 18 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.570 -0.333 18325
8732 1 18 . 1 1 75 75 VAL H H 75 7.885 7.885 8.511 -0.626 18325
8733 1 18 . 1 1 76 76 LYS N N 76 118.715 118.715 120.099 -1.384 18325
8734 1 18 . 1 1 76 76 LYS HA H 76 3.827 3.827 3.998 -0.171 18325
8735 1 18 . 1 1 76 76 LYS C C 76 178.105 178.105 178.532 -0.427 18325
8736 1 18 . 1 1 76 76 LYS CA C 76 60.397 60.397 59.811 0.586 18325
8737 1 18 . 1 1 76 76 LYS CB C 76 32.405 32.405 32.391 0.014 18325
8738 1 18 . 1 1 76 76 LYS H H 76 8.298 8.298 8.226 0.072 18325
8739 1 18 . 1 1 77 77 ALA N N 77 118.993 118.993 121.185 -2.192 18325
8740 1 18 . 1 1 77 77 ALA HA H 77 4.031 4.031 4.106 -0.075 18325
8741 1 18 . 1 1 77 77 ALA C C 77 180.450 180.450 180.090 0.360 18325
8742 1 18 . 1 1 77 77 ALA CA C 77 54.820 54.820 55.101 -0.281 18325
8743 1 18 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.301 -0.101 18325
8744 1 18 . 1 1 77 77 ALA H H 77 7.985 7.985 8.171 -0.186 18325
8745 1 18 . 1 1 78 78 LYS N N 78 119.952 119.952 118.615 1.337 18325
8746 1 18 . 1 1 78 78 LYS HA H 78 3.975 3.975 4.083 -0.108 18325
8747 1 18 . 1 1 78 78 LYS C C 78 177.949 177.949 178.653 -0.704 18325
8748 1 18 . 1 1 78 78 LYS CA C 78 58.079 58.079 57.909 0.170 18325
8749 1 18 . 1 1 78 78 LYS CB C 78 31.342 31.342 32.044 -0.702 18325
8750 1 18 . 1 1 78 78 LYS H H 78 7.480 7.480 8.193 -0.713 18325
8751 1 18 . 1 1 79 79 LEU N N 79 118.729 118.729 121.842 -3.113 18325
8752 1 18 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.254 -0.218 18325
8753 1 18 . 1 1 79 79 LEU C C 79 180.234 180.234 178.217 2.017 18325
8754 1 18 . 1 1 79 79 LEU CA C 79 58.096 58.096 58.602 -0.506 18325
8755 1 18 . 1 1 79 79 LEU CB C 79 41.776 41.776 41.927 -0.151 18325
8756 1 18 . 1 1 79 79 LEU H H 79 8.075 8.075 8.402 -0.327 18325
8757 1 18 . 1 1 80 80 VAL N N 80 118.567 118.567 114.964 3.603 18325
8758 1 18 . 1 1 80 80 VAL HA H 80 3.733 3.733 3.547 0.186 18325
8759 1 18 . 1 1 80 80 VAL C C 80 178.390 178.390 177.740 0.650 18325
8760 1 18 . 1 1 80 80 VAL CA C 80 65.895 65.895 66.144 -0.249 18325
8761 1 18 . 1 1 80 80 VAL CB C 80 31.961 31.961 30.837 1.124 18325
8762 1 18 . 1 1 80 80 VAL H H 80 7.867 7.867 7.920 -0.053 18325
8763 1 18 . 1 1 81 81 LYS N N 81 121.106 121.106 119.672 1.434 18325
8764 1 18 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.242 -0.150 18325
8765 1 18 . 1 1 81 81 LYS C C 81 179.434 179.434 178.740 0.694 18325
8766 1 18 . 1 1 81 81 LYS CA C 81 58.943 58.943 58.602 0.341 18325
8767 1 18 . 1 1 81 81 LYS CB C 81 32.497 32.497 32.553 -0.056 18325
8768 1 18 . 1 1 81 81 LYS H H 81 7.565 7.565 7.325 0.240 18325
8769 1 18 . 1 1 82 82 ILE N N 82 117.365 117.365 115.869 1.496 18325
8770 1 18 . 1 1 82 82 ILE HA H 82 3.953 3.953 4.094 -0.141 18325
8771 1 18 . 1 1 82 82 ILE C C 82 177.482 177.482 176.499 0.983 18325
8772 1 18 . 1 1 82 82 ILE CA C 82 63.598 63.598 61.987 1.611 18325
8773 1 18 . 1 1 82 82 ILE CB C 82 38.372 38.372 37.473 0.899 18325
8774 1 18 . 1 1 82 82 ILE H H 82 8.124 8.124 8.240 -0.116 18325
8775 1 18 . 1 1 83 83 ALA N N 83 123.334 123.334 120.900 2.434 18325
8776 1 18 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.364 -0.085 18325
8777 1 18 . 1 1 83 83 ALA C C 83 179.104 179.104 177.910 1.194 18325
8778 1 18 . 1 1 83 83 ALA CA C 83 53.851 53.851 52.346 1.504 18325
8779 1 18 . 1 1 83 83 ALA CB C 83 18.769 18.769 19.206 -0.437 18325
8780 1 18 . 1 1 83 83 ALA H H 83 7.867 7.867 7.818 0.049 18325
8781 1 18 . 1 1 84 84 GLY N N 84 105.962 105.962 108.280 -2.318 18325
8782 1 18 . 1 1 84 84 GLY C C 84 174.779 174.779 173.757 1.022 18325
8783 1 18 . 1 1 84 84 GLY CA C 84 45.847 45.847 44.782 1.065 18325
8784 1 18 . 1 1 84 84 GLY H H 84 8.019 8.019 7.584 0.435 18325
8785 1 18 . 1 1 85 85 LEU N N 85 120.702 120.702 123.719 -3.017 18325
8786 1 18 . 1 1 85 85 LEU HA H 85 4.275 4.275 4.529 -0.254 18325
8787 1 18 . 1 1 85 85 LEU C C 85 177.609 177.609 175.999 1.610 18325
8788 1 18 . 1 1 85 85 LEU CA C 85 55.511 55.511 54.894 0.617 18325
8789 1 18 . 1 1 85 85 LEU CB C 85 42.449 42.449 41.895 0.554 18325
8790 1 18 . 1 1 85 85 LEU H H 85 7.727 7.727 8.373 -0.646 18325
8791 1 18 . 1 1 86 86 GLU N N 86 120.386 120.386 124.455 -4.069 18325
8792 1 18 . 1 1 86 86 GLU HA H 86 4.154 4.154 4.284 -0.130 18325
8793 1 18 . 1 1 86 86 GLU C C 86 176.359 176.359 176.831 -0.472 18325
8794 1 18 . 1 1 86 86 GLU CA C 86 56.941 56.941 56.976 -0.035 18325
8795 1 18 . 1 1 86 86 GLU CB C 86 30.180 30.180 30.155 0.025 18325
8796 1 18 . 1 1 86 86 GLU H H 86 8.238 8.238 9.026 -0.788 18325
8797 1 18 . 1 1 87 87 HIS N N 87 119.393 119.393 118.063 1.330 18325
8798 1 18 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.587 0.003 18325
8799 1 18 . 1 1 87 87 HIS C C 87 174.000 174.000 175.312 -1.312 18325
8800 1 18 . 1 1 87 87 HIS CA C 87 56.146 56.146 58.282 -2.136 18325
8801 1 18 . 1 1 87 87 HIS CB C 87 30.335 30.335 30.423 -0.088 18325
8802 1 18 . 1 1 87 87 HIS H H 87 8.177 8.177 8.579 -0.402 18325
8803 1 19 . 1 1 2 2 VAL HA H 2 4.195 4.195 4.412 -0.217 18325
8804 1 19 . 1 1 2 2 VAL C C 2 175.805 175.805 175.486 0.319 18325
8805 1 19 . 1 1 2 2 VAL CA C 2 62.388 62.388 61.383 1.006 18325
8806 1 19 . 1 1 2 2 VAL CB C 2 32.777 32.777 31.686 1.091 18325
8807 1 19 . 1 1 3 3 THR N N 3 119.229 119.229 115.845 3.384 18325
8808 1 19 . 1 1 3 3 THR HA H 3 4.259 4.259 4.226 0.033 18325
8809 1 19 . 1 1 3 3 THR C C 3 173.761 173.761 174.228 -0.467 18325
8810 1 19 . 1 1 3 3 THR CA C 3 61.673 61.673 63.091 -1.418 18325
8811 1 19 . 1 1 3 3 THR CB C 3 69.846 69.846 69.058 0.787 18325
8812 1 19 . 1 1 3 3 THR H H 3 8.256 8.256 8.147 0.109 18325
8813 1 19 . 1 1 4 4 ALA N N 4 126.635 126.635 129.717 -3.082 18325
8814 1 19 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.191 -0.037 18325
8815 1 19 . 1 1 4 4 ALA C C 4 177.002 177.002 177.253 -0.251 18325
8816 1 19 . 1 1 4 4 ALA CA C 4 52.159 52.159 52.346 -0.187 18325
8817 1 19 . 1 1 4 4 ALA CB C 4 19.512 19.512 17.939 1.573 18325
8818 1 19 . 1 1 4 4 ALA H H 4 8.367 8.367 8.565 -0.198 18325
8819 1 19 . 1 1 5 5 ALA N N 5 123.621 123.621 126.697 -3.076 18325
8820 1 19 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.249 0.018 18325
8821 1 19 . 1 1 5 5 ALA C C 5 176.288 176.288 176.387 -0.099 18325
8822 1 19 . 1 1 5 5 ALA CA C 5 52.894 52.894 53.449 -0.555 18325
8823 1 19 . 1 1 5 5 ALA CB C 5 19.494 19.494 19.688 -0.194 18325
8824 1 19 . 1 1 5 5 ALA H H 5 8.374 8.374 8.059 0.315 18325
8825 1 19 . 1 1 6 6 LEU N N 6 115.731 115.731 116.621 -0.890 18325
8826 1 19 . 1 1 6 6 LEU HA H 6 4.648 4.648 4.835 -0.187 18325
8827 1 19 . 1 1 6 6 LEU C C 6 175.007 175.007 175.622 -0.615 18325
8828 1 19 . 1 1 6 6 LEU CA C 6 54.263 54.263 52.524 1.739 18325
8829 1 19 . 1 1 6 6 LEU CB C 6 44.224 44.224 41.775 2.449 18325
8830 1 19 . 1 1 6 6 LEU H H 6 7.478 7.478 7.640 -0.162 18325
8831 1 19 . 1 1 7 7 THR N N 7 119.383 119.383 121.894 -2.511 18325
8832 1 19 . 1 1 7 7 THR HA H 7 4.906 4.906 4.803 0.103 18325
8833 1 19 . 1 1 7 7 THR C C 7 172.657 172.657 173.695 -1.038 18325
8834 1 19 . 1 1 7 7 THR CA C 7 61.586 61.586 62.021 -0.435 18325
8835 1 19 . 1 1 7 7 THR CB C 7 70.917 70.917 68.711 2.206 18325
8836 1 19 . 1 1 7 7 THR H H 7 8.342 8.342 8.951 -0.609 18325
8837 1 19 . 1 1 8 8 ILE N N 8 124.711 124.711 127.803 -3.092 18325
8838 1 19 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.586 -0.011 18325
8839 1 19 . 1 1 8 8 ILE C C 8 172.650 172.650 174.497 -1.847 18325
8840 1 19 . 1 1 8 8 ILE CA C 8 59.206 59.206 59.962 -0.756 18325
8841 1 19 . 1 1 8 8 ILE CB C 8 40.150 40.150 40.088 0.062 18325
8842 1 19 . 1 1 8 8 ILE H H 8 9.050 9.050 9.120 -0.070 18325
8843 1 19 . 1 1 9 9 TYR N N 9 128.517 128.517 127.913 0.604 18325
8844 1 19 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.769 0.656 18325
8845 1 19 . 1 1 9 9 TYR C C 9 176.445 176.445 174.942 1.503 18325
8846 1 19 . 1 1 9 9 TYR CA C 9 57.397 57.397 57.800 -0.403 18325
8847 1 19 . 1 1 9 9 TYR CB C 9 39.232 39.232 38.420 0.812 18325
8848 1 19 . 1 1 9 9 TYR H H 9 9.094 9.094 8.944 0.150 18325
8849 1 19 . 1 1 10 10 THR N N 10 112.214 112.214 114.246 -2.032 18325
8850 1 19 . 1 1 10 10 THR HA H 10 4.778 4.778 4.793 -0.015 18325
8851 1 19 . 1 1 10 10 THR C C 10 173.410 173.410 173.558 -0.148 18325
8852 1 19 . 1 1 10 10 THR CA C 10 59.893 59.893 60.081 -0.188 18325
8853 1 19 . 1 1 10 10 THR CB C 10 72.063 72.063 72.032 0.031 18325
8854 1 19 . 1 1 10 10 THR H H 10 8.824 8.824 8.075 0.749 18325
8855 1 19 . 1 1 11 11 THR N N 11 103.866 103.866 109.717 -5.851 18325
8856 1 19 . 1 1 11 11 THR HA H 11 4.585 4.585 4.688 -0.103 18325
8857 1 19 . 1 1 11 11 THR C C 11 176.335 176.335 175.276 1.059 18325
8858 1 19 . 1 1 11 11 THR CA C 11 60.389 60.389 59.565 0.824 18325
8859 1 19 . 1 1 11 11 THR CB C 11 72.584 72.584 70.470 2.114 18325
8860 1 19 . 1 1 11 11 THR H H 11 6.667 6.667 7.678 -1.011 18325
8861 1 19 . 1 1 12 12 SER N N 12 116.991 116.991 113.866 3.125 18325
8862 1 19 . 1 1 12 12 SER HA H 12 4.134 4.134 4.401 -0.267 18325
8863 1 19 . 1 1 12 12 SER C C 12 174.863 174.863 174.253 0.610 18325
8864 1 19 . 1 1 12 12 SER CA C 12 61.183 61.183 60.058 1.125 18325
8865 1 19 . 1 1 12 12 SER CB C 12 62.845 62.845 62.421 0.424 18325
8866 1 19 . 1 1 12 12 SER H H 12 9.561 9.561 8.514 1.047 18325
8867 1 19 . 1 1 13 13 TRP N N 13 117.675 117.675 120.400 -2.725 18325
8868 1 19 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.836 -0.061 18325
8869 1 19 . 1 1 13 13 TRP C C 13 175.144 175.144 175.908 -0.764 18325
8870 1 19 . 1 1 13 13 TRP CA C 13 54.555 54.555 54.975 -0.420 18325
8871 1 19 . 1 1 13 13 TRP CB C 13 28.292 28.292 28.536 -0.244 18325
8872 1 19 . 1 1 13 13 TRP H H 13 6.996 6.996 7.160 -0.164 18325
8873 1 19 . 1 1 14 14 CYS N N 14 120.513 120.513 119.861 0.652 18325
8874 1 19 . 1 1 14 14 CYS HA H 14 4.498 4.498 4.466 0.032 18325
8875 1 19 . 1 1 14 14 CYS CA C 14 53.859 53.859 59.716 -5.857 18325
8876 1 19 . 1 1 14 14 CYS CB C 14 44.419 44.419 26.317 18.102 18325
8877 1 19 . 1 1 14 14 CYS H H 14 6.755 6.755 7.466 -0.711 18325
8878 1 19 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.394 -0.017 18325
8879 1 19 . 1 1 16 16 TYR C C 16 177.495 177.495 177.162 0.333 18325
8880 1 19 . 1 1 16 16 TYR CA C 16 60.662 60.662 58.811 1.851 18325
8881 1 19 . 1 1 16 16 TYR CB C 16 37.852 37.852 37.200 0.652 18325
8882 1 19 . 1 1 17 17 CYS N N 17 114.160 114.160 117.869 -3.709 18325
8883 1 19 . 1 1 17 17 CYS HA H 17 3.923 3.923 4.042 -0.119 18325
8884 1 19 . 1 1 17 17 CYS C C 17 174.680 174.680 176.609 -1.929 18325
8885 1 19 . 1 1 17 17 CYS CA C 17 65.302 65.302 61.424 3.878 18325
8886 1 19 . 1 1 17 17 CYS CB C 17 33.986 33.986 25.953 8.033 18325
8887 1 19 . 1 1 17 17 CYS H H 17 8.495 8.495 7.825 0.670 18325
8888 1 19 . 1 1 18 18 LEU N N 18 119.295 119.295 119.487 -0.192 18325
8889 1 19 . 1 1 18 18 LEU HA H 18 4.031 4.031 3.988 0.043 18325
8890 1 19 . 1 1 18 18 LEU C C 18 179.001 179.001 178.935 0.066 18325
8891 1 19 . 1 1 18 18 LEU CA C 18 58.234 58.234 57.468 0.766 18325
8892 1 19 . 1 1 18 18 LEU CB C 18 41.205 41.205 41.001 0.204 18325
8893 1 19 . 1 1 18 18 LEU H H 18 7.311 7.311 7.821 -0.510 18325
8894 1 19 . 1 1 19 19 ARG N N 19 119.771 119.771 118.261 1.510 18325
8895 1 19 . 1 1 19 19 ARG HA H 19 3.998 3.998 4.086 -0.088 18325
8896 1 19 . 1 1 19 19 ARG C C 19 178.949 178.949 178.551 0.398 18325
8897 1 19 . 1 1 19 19 ARG CA C 19 59.597 59.597 58.299 1.298 18325
8898 1 19 . 1 1 19 19 ARG CB C 19 30.006 30.006 29.488 0.518 18325
8899 1 19 . 1 1 19 19 ARG H H 19 7.469 7.469 7.688 -0.219 18325
8900 1 19 . 1 1 20 20 LEU N N 20 120.802 120.802 120.510 0.292 18325
8901 1 19 . 1 1 20 20 LEU HA H 20 4.097 4.097 4.296 -0.199 18325
8902 1 19 . 1 1 20 20 LEU C C 20 177.928 177.928 177.725 0.203 18325
8903 1 19 . 1 1 20 20 LEU CA C 20 57.757 57.757 57.016 0.741 18325
8904 1 19 . 1 1 20 20 LEU CB C 20 40.940 40.940 42.147 -1.207 18325
8905 1 19 . 1 1 20 20 LEU H H 20 8.150 8.150 7.561 0.589 18325
8906 1 19 . 1 1 21 21 LYS N N 21 117.910 117.910 119.831 -1.921 18325
8907 1 19 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.597 -0.317 18325
8908 1 19 . 1 1 21 21 LYS C C 21 178.851 178.851 178.779 0.072 18325
8909 1 19 . 1 1 21 21 LYS CA C 21 61.353 61.353 60.055 1.298 18325
8910 1 19 . 1 1 21 21 LYS CB C 21 31.698 31.698 32.312 -0.614 18325
8911 1 19 . 1 1 21 21 LYS H H 21 7.854 7.854 7.988 -0.134 18325
8912 1 19 . 1 1 22 22 THR N N 22 115.451 115.451 114.611 0.840 18325
8913 1 19 . 1 1 22 22 THR HA H 22 3.889 3.889 4.114 -0.225 18325
8914 1 19 . 1 1 22 22 THR C C 22 176.571 176.571 176.141 0.430 18325
8915 1 19 . 1 1 22 22 THR CA C 22 66.849 66.849 65.900 0.949 18325
8916 1 19 . 1 1 22 22 THR CB C 22 68.793 68.793 68.659 0.134 18325
8917 1 19 . 1 1 22 22 THR H H 22 8.125 8.125 8.263 -0.138 18325
8918 1 19 . 1 1 23 23 ALA N N 23 125.218 125.218 124.717 0.501 18325
8919 1 19 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.172 0.102 18325
8920 1 19 . 1 1 23 23 ALA C C 23 180.948 180.948 179.414 1.534 18325
8921 1 19 . 1 1 23 23 ALA CA C 23 55.003 55.003 54.917 0.086 18325
8922 1 19 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.069 0.773 18325
8923 1 19 . 1 1 23 23 ALA H H 23 7.892 7.892 7.579 0.313 18325
8924 1 19 . 1 1 24 24 LEU N N 24 120.007 120.007 118.705 1.302 18325
8925 1 19 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.959 0.059 18325
8926 1 19 . 1 1 24 24 LEU C C 24 179.738 179.738 179.200 0.538 18325
8927 1 19 . 1 1 24 24 LEU CA C 24 58.807 58.807 57.802 1.005 18325
8928 1 19 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.425 -1.611 18325
8929 1 19 . 1 1 24 24 LEU H H 24 8.775 8.775 8.136 0.639 18325
8930 1 19 . 1 1 25 25 THR N N 25 118.777 118.777 115.926 2.851 18325
8931 1 19 . 1 1 25 25 THR HA H 25 4.175 4.175 4.130 0.045 18325
8932 1 19 . 1 1 25 25 THR C C 25 178.539 178.539 177.233 1.306 18325
8933 1 19 . 1 1 25 25 THR CA C 25 67.138 67.138 66.688 0.450 18325
8934 1 19 . 1 1 25 25 THR CB C 25 68.679 68.679 68.456 0.223 18325
8935 1 19 . 1 1 25 25 THR H H 25 8.636 8.636 8.311 0.325 18325
8936 1 19 . 1 1 26 26 ALA N N 26 126.122 126.122 124.474 1.648 18325
8937 1 19 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.126 0.062 18325
8938 1 19 . 1 1 26 26 ALA C C 26 178.536 178.536 178.960 -0.424 18325
8939 1 19 . 1 1 26 26 ALA CA C 26 55.134 55.134 54.995 0.140 18325
8940 1 19 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.368 -0.481 18325
8941 1 19 . 1 1 26 26 ALA H H 26 8.357 8.357 8.323 0.034 18325
8942 1 19 . 1 1 27 27 ASN N N 27 114.755 114.755 114.774 -0.019 18325
8943 1 19 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.640 0.057 18325
8944 1 19 . 1 1 27 27 ASN C C 27 172.751 172.751 174.833 -2.082 18325
8945 1 19 . 1 1 27 27 ASN CA C 27 53.712 53.712 53.781 -0.069 18325
8946 1 19 . 1 1 27 27 ASN CB C 27 40.648 40.648 38.779 1.869 18325
8947 1 19 . 1 1 27 27 ASN H H 27 7.456 7.456 8.070 -0.614 18325
8948 1 19 . 1 1 28 28 ARG N N 28 115.444 115.444 114.744 0.700 18325
8949 1 19 . 1 1 28 28 ARG HA H 28 3.934 3.934 3.904 0.030 18325
8950 1 19 . 1 1 28 28 ARG C C 28 175.075 175.075 175.265 -0.190 18325
8951 1 19 . 1 1 28 28 ARG CA C 28 57.091 57.091 56.860 0.231 18325
8952 1 19 . 1 1 28 28 ARG CB C 28 26.393 26.393 27.085 -0.692 18325
8953 1 19 . 1 1 28 28 ARG H H 28 8.183 8.183 7.536 0.647 18325
8954 1 19 . 1 1 29 29 ILE N N 29 120.976 120.976 119.469 1.507 18325
8955 1 19 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.139 -0.060 18325
8956 1 19 . 1 1 29 29 ILE C C 29 175.050 175.050 175.442 -0.392 18325
8957 1 19 . 1 1 29 29 ILE CA C 29 60.664 60.664 61.257 -0.593 18325
8958 1 19 . 1 1 29 29 ILE CB C 29 38.695 38.695 38.469 0.226 18325
8959 1 19 . 1 1 29 29 ILE H H 29 8.004 8.004 8.235 -0.231 18325
8960 1 19 . 1 1 30 30 ALA N N 30 131.099 131.099 132.069 -0.970 18325
8961 1 19 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.427 -0.259 18325
8962 1 19 . 1 1 30 30 ALA C C 30 176.360 176.360 176.192 0.168 18325
8963 1 19 . 1 1 30 30 ALA CA C 30 51.819 51.819 51.509 0.310 18325
8964 1 19 . 1 1 30 30 ALA CB C 30 19.641 19.641 19.376 0.265 18325
8965 1 19 . 1 1 30 30 ALA H H 30 8.329 8.329 8.521 -0.192 18325
8966 1 19 . 1 1 31 31 TYR N N 31 114.363 114.363 120.587 -6.224 18325
8967 1 19 . 1 1 31 31 TYR HA H 31 5.133 5.133 5.123 0.010 18325
8968 1 19 . 1 1 31 31 TYR C C 31 173.470 173.470 173.500 -0.030 18325
8969 1 19 . 1 1 31 31 TYR CA C 31 55.522 55.522 55.439 0.083 18325
8970 1 19 . 1 1 31 31 TYR CB C 31 41.184 41.184 40.695 0.489 18325
8971 1 19 . 1 1 31 31 TYR H H 31 7.509 7.509 7.783 -0.274 18325
8972 1 19 . 1 1 32 32 ASP N N 32 120.754 120.754 121.736 -0.982 18325
8973 1 19 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.894 0.032 18325
8974 1 19 . 1 1 32 32 ASP C C 32 174.611 174.611 174.845 -0.234 18325
8975 1 19 . 1 1 32 32 ASP CA C 32 52.875 52.875 52.942 -0.067 18325
8976 1 19 . 1 1 32 32 ASP CB C 32 42.843 42.843 44.151 -1.308 18325
8977 1 19 . 1 1 32 32 ASP H H 32 8.517 8.517 8.742 -0.225 18325
8978 1 19 . 1 1 33 33 GLU N N 33 124.650 124.650 123.889 0.761 18325
8979 1 19 . 1 1 33 33 GLU HA H 33 5.205 5.205 5.231 -0.026 18325
8980 1 19 . 1 1 33 33 GLU C C 33 175.049 175.049 176.176 -1.127 18325
8981 1 19 . 1 1 33 33 GLU CA C 33 54.489 54.489 54.435 0.054 18325
8982 1 19 . 1 1 33 33 GLU CB C 33 32.425 32.425 30.334 2.091 18325
8983 1 19 . 1 1 33 33 GLU H H 33 8.836 8.836 8.540 0.296 18325
8984 1 19 . 1 1 34 34 VAL N N 34 128.112 128.112 123.934 4.178 18325
8985 1 19 . 1 1 34 34 VAL HA H 34 4.062 4.062 3.989 0.073 18325
8986 1 19 . 1 1 34 34 VAL C C 34 173.620 173.620 176.775 -3.155 18325
8987 1 19 . 1 1 34 34 VAL CA C 34 61.427 61.427 62.128 -0.701 18325
8988 1 19 . 1 1 34 34 VAL CB C 34 34.690 34.690 32.385 2.305 18325
8989 1 19 . 1 1 34 34 VAL H H 34 8.615 8.615 8.635 -0.020 18325
8990 1 19 . 1 1 35 35 ASP N N 35 127.319 127.319 125.869 1.450 18325
8991 1 19 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.361 0.576 18325
8992 1 19 . 1 1 35 35 ASP C C 35 179.260 179.260 178.099 1.161 18325
8993 1 19 . 1 1 35 35 ASP CA C 35 61.428 61.428 56.800 4.628 18325
8994 1 19 . 1 1 35 35 ASP CB C 35 41.858 41.858 40.395 1.463 18325
8995 1 19 . 1 1 35 35 ASP H H 35 8.458 8.458 8.823 -0.365 18325
8996 1 19 . 1 1 36 36 ILE N N 36 119.537 119.537 113.898 5.639 18325
8997 1 19 . 1 1 36 36 ILE HA H 36 4.360 4.360 3.797 0.563 18325
8998 1 19 . 1 1 36 36 ILE C C 36 176.943 176.943 177.598 -0.655 18325
8999 1 19 . 1 1 36 36 ILE CA C 36 63.681 63.681 63.785 -0.104 18325
9000 1 19 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.518 0.119 18325
9001 1 19 . 1 1 36 36 ILE H H 36 8.833 8.833 7.179 1.654 18325
9002 1 19 . 1 1 37 37 GLU N N 37 122.074 122.074 119.567 2.507 18325
9003 1 19 . 1 1 37 37 GLU HA H 37 4.131 4.131 3.960 0.171 18325
9004 1 19 . 1 1 37 37 GLU C C 37 177.224 177.224 177.271 -0.047 18325
9005 1 19 . 1 1 37 37 GLU CA C 37 58.503 58.503 58.508 -0.006 18325
9006 1 19 . 1 1 37 37 GLU CB C 37 29.312 29.312 28.924 0.388 18325
9007 1 19 . 1 1 37 37 GLU H H 37 8.815 8.815 8.423 0.392 18325
9008 1 19 . 1 1 38 38 HIS N N 38 114.611 114.611 117.778 -3.167 18325
9009 1 19 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.753 0.093 18325
9010 1 19 . 1 1 38 38 HIS C C 38 174.168 174.168 173.876 0.292 18325
9011 1 19 . 1 1 38 38 HIS CA C 38 55.189 55.189 56.196 -1.006 18325
9012 1 19 . 1 1 38 38 HIS CB C 38 30.936 30.936 31.446 -0.510 18325
9013 1 19 . 1 1 38 38 HIS H H 38 7.661 7.661 7.933 -0.272 18325
9014 1 19 . 1 1 39 39 ASN N N 39 117.944 117.944 118.245 -0.301 18325
9015 1 19 . 1 1 39 39 ASN HA H 39 4.900 4.900 4.928 -0.028 18325
9016 1 19 . 1 1 39 39 ASN C C 39 173.626 173.626 175.789 -2.163 18325
9017 1 19 . 1 1 39 39 ASN CA C 39 52.634 52.634 52.178 0.456 18325
9018 1 19 . 1 1 39 39 ASN CB C 39 39.436 39.436 39.903 -0.467 18325
9019 1 19 . 1 1 39 39 ASN H H 39 7.095 7.095 7.738 -0.643 18325
9020 1 19 . 1 1 40 40 ARG N N 40 126.603 126.603 124.360 2.243 18325
9021 1 19 . 1 1 40 40 ARG HA H 40 4.142 4.142 3.886 0.256 18325
9022 1 19 . 1 1 40 40 ARG C C 40 178.292 178.292 177.645 0.647 18325
9023 1 19 . 1 1 40 40 ARG CA C 40 59.371 59.371 59.682 -0.311 18325
9024 1 19 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.386 0.533 18325
9025 1 19 . 1 1 40 40 ARG H H 40 8.750 8.750 8.848 -0.098 18325
9026 1 19 . 1 1 41 41 ALA N N 41 122.148 122.148 122.007 0.141 18325
9027 1 19 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.130 0.072 18325
9028 1 19 . 1 1 41 41 ALA C C 41 181.236 181.236 179.646 1.590 18325
9029 1 19 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.734 0.342 18325
9030 1 19 . 1 1 41 41 ALA CB C 41 17.795 17.795 17.909 -0.114 18325
9031 1 19 . 1 1 41 41 ALA H H 41 8.460 8.460 8.487 -0.027 18325
9032 1 19 . 1 1 42 42 ALA N N 42 122.394 122.394 119.380 3.014 18325
9033 1 19 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.223 0.001 18325
9034 1 19 . 1 1 42 42 ALA C C 42 178.949 178.949 179.033 -0.084 18325
9035 1 19 . 1 1 42 42 ALA CA C 42 54.423 54.423 53.784 0.639 18325
9036 1 19 . 1 1 42 42 ALA CB C 42 19.786 19.786 18.982 0.804 18325
9037 1 19 . 1 1 42 42 ALA H H 42 7.973 7.973 7.703 0.270 18325
9038 1 19 . 1 1 43 43 ALA N N 43 120.965 120.965 121.784 -0.819 18325
9039 1 19 . 1 1 43 43 ALA HA H 43 3.788 3.788 4.115 -0.327 18325
9040 1 19 . 1 1 43 43 ALA C C 43 179.994 179.994 179.724 0.270 18325
9041 1 19 . 1 1 43 43 ALA CA C 43 56.189 56.189 55.001 1.188 18325
9042 1 19 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.510 -0.477 18325
9043 1 19 . 1 1 43 43 ALA H H 43 8.170 8.170 7.916 0.254 18325
9044 1 19 . 1 1 44 44 GLU N N 44 117.052 117.052 118.841 -1.789 18325
9045 1 19 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.093 -0.140 18325
9046 1 19 . 1 1 44 44 GLU C C 44 179.698 179.698 178.380 1.318 18325
9047 1 19 . 1 1 44 44 GLU CA C 44 58.934 58.934 58.574 0.360 18325
9048 1 19 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.529 -0.403 18325
9049 1 19 . 1 1 44 44 GLU H H 44 8.240 8.240 8.523 -0.283 18325
9050 1 19 . 1 1 45 45 PHE N N 45 122.282 122.282 120.128 2.154 18325
9051 1 19 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.369 -0.137 18325
9052 1 19 . 1 1 45 45 PHE C C 45 177.994 177.994 176.805 1.189 18325
9053 1 19 . 1 1 45 45 PHE CA C 45 61.170 61.170 60.237 0.933 18325
9054 1 19 . 1 1 45 45 PHE CB C 45 38.225 38.225 38.907 -0.682 18325
9055 1 19 . 1 1 45 45 PHE H H 45 8.068 8.068 7.540 0.528 18325
9056 1 19 . 1 1 46 46 VAL N N 46 120.442 120.442 117.272 3.170 18325
9057 1 19 . 1 1 46 46 VAL HA H 46 2.908 2.908 3.179 -0.271 18325
9058 1 19 . 1 1 46 46 VAL C C 46 178.852 178.852 177.561 1.291 18325
9059 1 19 . 1 1 46 46 VAL CA C 46 67.186 67.186 65.964 1.222 18325
9060 1 19 . 1 1 46 46 VAL CB C 46 31.143 31.143 31.172 -0.028 18325
9061 1 19 . 1 1 46 46 VAL H H 46 8.363 8.363 7.531 0.832 18325
9062 1 19 . 1 1 47 47 GLY N N 47 105.864 105.864 105.732 0.132 18325
9063 1 19 . 1 1 47 47 GLY C C 47 176.759 176.759 176.045 0.714 18325
9064 1 19 . 1 1 47 47 GLY CA C 47 46.690 46.690 46.871 -0.181 18325
9065 1 19 . 1 1 47 47 GLY H H 47 8.187 8.187 7.420 0.767 18325
9066 1 19 . 1 1 48 48 SER N N 48 118.796 118.796 117.947 0.849 18325
9067 1 19 . 1 1 48 48 SER HA H 48 4.201 4.201 4.238 -0.037 18325
9068 1 19 . 1 1 48 48 SER C C 48 176.571 176.571 176.295 0.276 18325
9069 1 19 . 1 1 48 48 SER CA C 48 61.440 61.440 61.204 0.236 18325
9070 1 19 . 1 1 48 48 SER CB C 48 62.661 62.661 62.999 -0.338 18325
9071 1 19 . 1 1 48 48 SER H H 48 8.045 8.045 7.675 0.370 18325
9072 1 19 . 1 1 49 49 VAL N N 49 114.967 114.967 114.566 0.401 18325
9073 1 19 . 1 1 49 49 VAL HA H 49 4.356 4.356 4.005 0.351 18325
9074 1 19 . 1 1 49 49 VAL C C 49 175.807 175.807 175.975 -0.168 18325
9075 1 19 . 1 1 49 49 VAL CA C 49 62.064 62.064 63.053 -0.989 18325
9076 1 19 . 1 1 49 49 VAL CB C 49 31.110 31.110 31.266 -0.156 18325
9077 1 19 . 1 1 49 49 VAL H H 49 7.040 7.040 7.420 -0.380 18325
9078 1 19 . 1 1 50 50 ASN N N 50 119.765 119.765 117.872 1.893 18325
9079 1 19 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.756 0.378 18325
9080 1 19 . 1 1 50 50 ASN C C 50 176.473 176.473 175.831 0.642 18325
9081 1 19 . 1 1 50 50 ASN CA C 50 53.454 53.454 53.931 -0.477 18325
9082 1 19 . 1 1 50 50 ASN CB C 50 40.815 40.815 41.153 -0.338 18325
9083 1 19 . 1 1 50 50 ASN H H 50 7.364 7.364 7.463 -0.099 18325
9084 1 19 . 1 1 51 51 GLY N N 51 110.407 110.407 107.876 2.531 18325
9085 1 19 . 1 1 51 51 GLY C C 51 174.967 174.967 175.337 -0.370 18325
9086 1 19 . 1 1 51 51 GLY CA C 51 47.543 47.543 45.017 2.526 18325
9087 1 19 . 1 1 51 51 GLY H H 51 8.546 8.546 8.429 0.117 18325
9088 1 19 . 1 1 52 52 GLY N N 52 106.482 106.482 110.878 -4.396 18325
9089 1 19 . 1 1 52 52 GLY C C 52 174.134 174.134 174.473 -0.339 18325
9090 1 19 . 1 1 52 52 GLY CA C 52 44.424 44.424 45.204 -0.780 18325
9091 1 19 . 1 1 52 52 GLY H H 52 8.810 8.810 8.306 0.504 18325
9092 1 19 . 1 1 53 53 ASN N N 53 119.129 119.129 121.670 -2.541 18325
9093 1 19 . 1 1 53 53 ASN HA H 53 4.738 4.738 4.803 -0.065 18325
9094 1 19 . 1 1 53 53 ASN C C 53 174.828 174.828 174.732 0.096 18325
9095 1 19 . 1 1 53 53 ASN CA C 53 52.654 52.654 52.804 -0.151 18325
9096 1 19 . 1 1 53 53 ASN CB C 53 40.237 40.237 39.570 0.667 18325
9097 1 19 . 1 1 53 53 ASN H H 53 7.330 7.330 8.057 -0.727 18325
9098 1 19 . 1 1 54 54 ARG N N 54 125.094 125.094 122.453 2.641 18325
9099 1 19 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.509 -0.375 18325
9100 1 19 . 1 1 54 54 ARG C C 54 174.863 174.863 175.366 -0.503 18325
9101 1 19 . 1 1 54 54 ARG CA C 54 55.132 55.132 55.180 -0.048 18325
9102 1 19 . 1 1 54 54 ARG CB C 54 27.409 27.409 29.579 -2.170 18325
9103 1 19 . 1 1 54 54 ARG H H 54 8.826 8.826 8.478 0.348 18325
9104 1 19 . 1 1 55 55 THR N N 55 117.920 117.920 119.613 -1.693 18325
9105 1 19 . 1 1 55 55 THR HA H 55 4.020 4.020 4.335 -0.315 18325
9106 1 19 . 1 1 55 55 THR C C 55 172.459 172.459 175.774 -3.315 18325
9107 1 19 . 1 1 55 55 THR CA C 55 63.451 63.451 62.999 0.452 18325
9108 1 19 . 1 1 55 55 THR CB C 55 69.158 69.158 69.616 -0.458 18325
9109 1 19 . 1 1 55 55 THR H H 55 6.994 6.994 8.011 -1.017 18325
9110 1 19 . 1 1 56 56 VAL N N 56 117.300 117.300 124.620 -7.320 18325
9111 1 19 . 1 1 56 56 VAL HA H 56 4.735 4.735 4.065 0.670 18325
9112 1 19 . 1 1 56 56 VAL CA C 56 56.872 56.872 65.207 -8.335 18325
9113 1 19 . 1 1 56 56 VAL CB C 56 34.378 34.378 28.970 5.408 18325
9114 1 19 . 1 1 56 56 VAL H H 56 8.172 8.172 8.669 -0.497 18325
9115 1 19 . 1 1 57 57 PRO HA H 57 5.350 5.350 4.985 0.365 18325
9116 1 19 . 1 1 57 57 PRO C C 57 176.879 176.879 175.932 0.947 18325
9117 1 19 . 1 1 57 57 PRO CA C 57 62.246 62.246 62.277 -0.031 18325
9118 1 19 . 1 1 57 57 PRO CB C 57 34.293 34.293 29.934 4.359 18325
9119 1 19 . 1 1 58 58 THR N N 58 120.440 120.440 120.356 0.084 18325
9120 1 19 . 1 1 58 58 THR HA H 58 5.042 5.042 4.987 0.055 18325
9121 1 19 . 1 1 58 58 THR C C 58 172.321 172.321 173.039 -0.718 18325
9122 1 19 . 1 1 58 58 THR CA C 58 63.449 63.449 62.239 1.210 18325
9123 1 19 . 1 1 58 58 THR CB C 58 71.892 71.892 71.271 0.621 18325
9124 1 19 . 1 1 58 58 THR H H 58 7.948 7.948 8.823 -0.875 18325
9125 1 19 . 1 1 59 59 VAL N N 59 126.444 126.444 127.179 -0.735 18325
9126 1 19 . 1 1 59 59 VAL HA H 59 5.095 5.095 4.988 0.107 18325
9127 1 19 . 1 1 59 59 VAL C C 59 173.176 173.176 173.351 -0.175 18325
9128 1 19 . 1 1 59 59 VAL CA C 59 60.133 60.133 59.420 0.713 18325
9129 1 19 . 1 1 59 59 VAL CB C 59 34.117 34.117 35.251 -1.134 18325
9130 1 19 . 1 1 59 59 VAL H H 59 9.428 9.428 9.175 0.253 18325
9131 1 19 . 1 1 60 60 LYS N N 60 126.183 126.183 129.418 -3.235 18325
9132 1 19 . 1 1 60 60 LYS HA H 60 5.379 5.379 5.076 0.303 18325
9133 1 19 . 1 1 60 60 LYS C C 60 175.404 175.404 175.467 -0.063 18325
9134 1 19 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.896 -0.285 18325
9135 1 19 . 1 1 60 60 LYS CB C 60 37.601 37.601 34.292 3.309 18325
9136 1 19 . 1 1 60 60 LYS H H 60 9.214 9.214 8.902 0.312 18325
9137 1 19 . 1 1 61 61 PHE N N 61 126.709 126.709 124.558 2.151 18325
9138 1 19 . 1 1 61 61 PHE HA H 61 4.736 4.736 5.299 -0.563 18325
9139 1 19 . 1 1 61 61 PHE C C 61 178.102 178.102 177.589 0.513 18325
9140 1 19 . 1 1 61 61 PHE CA C 61 58.048 58.048 57.344 0.703 18325
9141 1 19 . 1 1 61 61 PHE CB C 61 41.221 41.221 41.041 0.180 18325
9142 1 19 . 1 1 61 61 PHE H H 61 9.069 9.069 8.935 0.134 18325
9143 1 19 . 1 1 62 62 ALA N N 62 123.358 123.358 123.735 -0.377 18325
9144 1 19 . 1 1 62 62 ALA HA H 62 4.134 4.134 4.178 -0.044 18325
9145 1 19 . 1 1 62 62 ALA C C 62 177.754 177.754 177.878 -0.124 18325
9146 1 19 . 1 1 62 62 ALA CA C 62 54.940 54.940 54.493 0.447 18325
9147 1 19 . 1 1 62 62 ALA CB C 62 19.243 19.243 18.463 0.780 18325
9148 1 19 . 1 1 62 62 ALA H H 62 9.728 9.728 8.933 0.795 18325
9149 1 19 . 1 1 63 63 ASP N N 63 113.412 113.412 116.920 -3.508 18325
9150 1 19 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.527 0.059 18325
9151 1 19 . 1 1 63 63 ASP C C 63 177.032 177.032 177.673 -0.641 18325
9152 1 19 . 1 1 63 63 ASP CA C 63 53.141 53.141 54.065 -0.924 18325
9153 1 19 . 1 1 63 63 ASP CB C 63 40.040 40.040 40.924 -0.884 18325
9154 1 19 . 1 1 63 63 ASP H H 63 7.675 7.675 8.327 -0.652 18325
9155 1 19 . 1 1 64 64 GLY N N 64 109.285 109.285 108.664 0.621 18325
9156 1 19 . 1 1 64 64 GLY C C 64 173.680 173.680 174.483 -0.803 18325
9157 1 19 . 1 1 64 64 GLY CA C 64 45.328 45.328 45.104 0.224 18325
9158 1 19 . 1 1 64 64 GLY H H 64 8.361 8.361 7.841 0.520 18325
9159 1 19 . 1 1 65 65 SER N N 65 117.733 117.733 117.738 -0.005 18325
9160 1 19 . 1 1 65 65 SER HA H 65 4.567 4.567 4.687 -0.120 18325
9161 1 19 . 1 1 65 65 SER C C 65 173.595 173.595 173.683 -0.088 18325
9162 1 19 . 1 1 65 65 SER CA C 65 58.964 58.964 58.533 0.431 18325
9163 1 19 . 1 1 65 65 SER CB C 65 64.637 64.637 64.398 0.239 18325
9164 1 19 . 1 1 65 65 SER H H 65 8.287 8.287 7.899 0.388 18325
9165 1 19 . 1 1 66 66 THR N N 66 106.725 106.725 114.258 -7.533 18325
9166 1 19 . 1 1 66 66 THR HA H 66 6.250 6.250 5.330 0.920 18325
9167 1 19 . 1 1 66 66 THR C C 66 175.730 175.730 174.143 1.587 18325
9168 1 19 . 1 1 66 66 THR CA C 66 59.494 59.494 60.414 -0.920 18325
9169 1 19 . 1 1 66 66 THR CB C 66 73.049 73.049 71.219 1.830 18325
9170 1 19 . 1 1 66 66 THR H H 66 8.221 8.221 8.211 0.010 18325
9171 1 19 . 1 1 67 67 LEU N N 67 117.517 117.517 126.815 -9.298 18325
9172 1 19 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.734 0.134 18325
9173 1 19 . 1 1 67 67 LEU C C 67 176.030 176.030 176.051 -0.021 18325
9174 1 19 . 1 1 67 67 LEU CA C 67 54.768 54.768 54.077 0.691 18325
9175 1 19 . 1 1 67 67 LEU CB C 67 47.406 47.406 44.100 3.306 18325
9176 1 19 . 1 1 67 67 LEU H H 67 8.763 8.763 9.352 -0.589 18325
9177 1 19 . 1 1 68 68 THR N N 68 120.988 120.988 122.070 -1.082 18325
9178 1 19 . 1 1 68 68 THR HA H 68 4.616 4.616 4.410 0.206 18325
9179 1 19 . 1 1 68 68 THR C C 68 173.201 173.201 174.387 -1.186 18325
9180 1 19 . 1 1 68 68 THR CA C 68 62.802 62.802 62.919 -0.117 18325
9181 1 19 . 1 1 68 68 THR CB C 68 69.226 69.226 68.751 0.475 18325
9182 1 19 . 1 1 68 68 THR H H 68 9.226 9.226 8.779 0.447 18325
9183 1 19 . 1 1 69 69 ASN N N 69 122.679 122.679 124.700 -2.021 18325
9184 1 19 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.542 -0.252 18325
9185 1 19 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.642 0.824 18325
9186 1 19 . 1 1 69 69 ASN CB C 69 38.731 38.731 38.316 0.414 18325
9187 1 19 . 1 1 69 69 ASN H H 69 9.097 9.097 8.563 0.534 18325
9188 1 19 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.803 0.066 18325
9189 1 19 . 1 1 70 70 PRO C C 70 177.239 177.239 175.941 1.298 18325
9190 1 19 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.390 0.667 18325
9191 1 19 . 1 1 70 70 PRO CB C 70 32.153 32.153 34.051 -1.898 18325
9192 1 19 . 1 1 71 71 SER N N 71 115.373 115.373 112.991 2.382 18325
9193 1 19 . 1 1 71 71 SER HA H 71 4.620 4.620 4.693 -0.073 18325
9194 1 19 . 1 1 71 71 SER C C 71 175.966 175.966 175.785 0.181 18325
9195 1 19 . 1 1 71 71 SER CA C 71 56.624 56.624 55.961 0.663 18325
9196 1 19 . 1 1 71 71 SER CB C 71 65.562 65.562 64.669 0.893 18325
9197 1 19 . 1 1 71 71 SER H H 71 8.932 8.932 8.986 -0.054 18325
9198 1 19 . 1 1 72 72 ALA N N 72 124.008 124.008 126.422 -2.414 18325
9199 1 19 . 1 1 72 72 ALA HA H 72 3.763 3.763 4.112 -0.349 18325
9200 1 19 . 1 1 72 72 ALA C C 72 179.550 179.550 179.235 0.315 18325
9201 1 19 . 1 1 72 72 ALA CA C 72 55.970 55.970 55.427 0.543 18325
9202 1 19 . 1 1 72 72 ALA CB C 72 17.873 17.873 18.772 -0.899 18325
9203 1 19 . 1 1 72 72 ALA H H 72 9.235 9.235 8.820 0.415 18325
9204 1 19 . 1 1 73 73 ASP N N 73 116.584 116.584 117.796 -1.212 18325
9205 1 19 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.345 -0.015 18325
9206 1 19 . 1 1 73 73 ASP C C 73 179.219 179.219 178.182 1.037 18325
9207 1 19 . 1 1 73 73 ASP CA C 73 57.583 57.583 57.537 0.046 18325
9208 1 19 . 1 1 73 73 ASP CB C 73 40.300 40.300 40.607 -0.307 18325
9209 1 19 . 1 1 73 73 ASP H H 73 8.277 8.277 8.764 -0.487 18325
9210 1 19 . 1 1 74 74 GLU N N 74 122.057 122.057 118.963 3.094 18325
9211 1 19 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.088 -0.073 18325
9212 1 19 . 1 1 74 74 GLU C C 74 180.045 180.045 178.950 1.095 18325
9213 1 19 . 1 1 74 74 GLU CA C 74 59.199 59.199 59.145 0.054 18325
9214 1 19 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.644 0.430 18325
9215 1 19 . 1 1 74 74 GLU H H 74 7.925 7.925 8.323 -0.398 18325
9216 1 19 . 1 1 75 75 VAL N N 75 120.141 120.141 120.372 -0.231 18325
9217 1 19 . 1 1 75 75 VAL HA H 75 3.681 3.681 3.940 -0.259 18325
9218 1 19 . 1 1 75 75 VAL C C 75 177.008 177.008 177.814 -0.806 18325
9219 1 19 . 1 1 75 75 VAL CA C 75 67.172 67.172 67.115 0.057 18325
9220 1 19 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.445 -0.208 18325
9221 1 19 . 1 1 75 75 VAL H H 75 7.885 7.885 8.015 -0.130 18325
9222 1 19 . 1 1 76 76 LYS N N 76 118.715 118.715 120.102 -1.387 18325
9223 1 19 . 1 1 76 76 LYS HA H 76 3.827 3.827 4.017 -0.190 18325
9224 1 19 . 1 1 76 76 LYS C C 76 178.105 178.105 178.557 -0.452 18325
9225 1 19 . 1 1 76 76 LYS CA C 76 60.397 60.397 59.874 0.523 18325
9226 1 19 . 1 1 76 76 LYS CB C 76 32.405 32.405 32.479 -0.074 18325
9227 1 19 . 1 1 76 76 LYS H H 76 8.298 8.298 8.155 0.143 18325
9228 1 19 . 1 1 77 77 ALA N N 77 118.993 118.993 120.198 -1.205 18325
9229 1 19 . 1 1 77 77 ALA HA H 77 4.031 4.031 4.126 -0.095 18325
9230 1 19 . 1 1 77 77 ALA C C 77 180.450 180.450 179.383 1.067 18325
9231 1 19 . 1 1 77 77 ALA CA C 77 54.820 54.820 54.758 0.062 18325
9232 1 19 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.523 -0.323 18325
9233 1 19 . 1 1 77 77 ALA H H 77 7.985 7.985 7.936 0.049 18325
9234 1 19 . 1 1 78 78 LYS N N 78 119.952 119.952 118.120 1.832 18325
9235 1 19 . 1 1 78 78 LYS HA H 78 3.975 3.975 4.137 -0.162 18325
9236 1 19 . 1 1 78 78 LYS C C 78 177.949 177.949 178.558 -0.609 18325
9237 1 19 . 1 1 78 78 LYS CA C 78 58.079 58.079 57.347 0.732 18325
9238 1 19 . 1 1 78 78 LYS CB C 78 31.342 31.342 31.991 -0.650 18325
9239 1 19 . 1 1 78 78 LYS H H 78 7.480 7.480 8.078 -0.598 18325
9240 1 19 . 1 1 79 79 LEU N N 79 118.729 118.729 122.045 -3.316 18325
9241 1 19 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.336 -0.300 18325
9242 1 19 . 1 1 79 79 LEU C C 79 180.234 180.234 178.433 1.801 18325
9243 1 19 . 1 1 79 79 LEU CA C 79 58.096 58.096 58.093 0.003 18325
9244 1 19 . 1 1 79 79 LEU CB C 79 41.776 41.776 42.014 -0.238 18325
9245 1 19 . 1 1 79 79 LEU H H 79 8.075 8.075 8.197 -0.122 18325
9246 1 19 . 1 1 80 80 VAL N N 80 118.567 118.567 115.445 3.122 18325
9247 1 19 . 1 1 80 80 VAL HA H 80 3.733 3.733 3.860 -0.127 18325
9248 1 19 . 1 1 80 80 VAL C C 80 178.390 178.390 177.409 0.981 18325
9249 1 19 . 1 1 80 80 VAL CA C 80 65.895 65.895 66.107 -0.212 18325
9250 1 19 . 1 1 80 80 VAL CB C 80 31.961 31.961 30.889 1.072 18325
9251 1 19 . 1 1 80 80 VAL H H 80 7.867 7.867 7.964 -0.097 18325
9252 1 19 . 1 1 81 81 LYS N N 81 121.106 121.106 117.468 3.638 18325
9253 1 19 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.195 -0.103 18325
9254 1 19 . 1 1 81 81 LYS C C 81 179.434 179.434 178.536 0.898 18325
9255 1 19 . 1 1 81 81 LYS CA C 81 58.943 58.943 58.585 0.358 18325
9256 1 19 . 1 1 81 81 LYS CB C 81 32.497 32.497 32.445 0.052 18325
9257 1 19 . 1 1 81 81 LYS H H 81 7.565 7.565 7.551 0.014 18325
9258 1 19 . 1 1 82 82 ILE N N 82 117.365 117.365 115.479 1.886 18325
9259 1 19 . 1 1 82 82 ILE HA H 82 3.953 3.953 4.201 -0.248 18325
9260 1 19 . 1 1 82 82 ILE C C 82 177.482 177.482 176.625 0.857 18325
9261 1 19 . 1 1 82 82 ILE CA C 82 63.598 63.598 62.919 0.679 18325
9262 1 19 . 1 1 82 82 ILE CB C 82 38.372 38.372 38.420 -0.049 18325
9263 1 19 . 1 1 82 82 ILE H H 82 8.124 8.124 7.548 0.576 18325
9264 1 19 . 1 1 83 83 ALA N N 83 123.334 123.334 121.939 1.395 18325
9265 1 19 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.606 -0.327 18325
9266 1 19 . 1 1 83 83 ALA C C 83 179.104 179.104 178.245 0.859 18325
9267 1 19 . 1 1 83 83 ALA CA C 83 53.851 53.851 52.629 1.222 18325
9268 1 19 . 1 1 83 83 ALA CB C 83 18.769 18.769 20.355 -1.586 18325
9269 1 19 . 1 1 83 83 ALA H H 83 7.867 7.867 8.601 -0.734 18325
9270 1 19 . 1 1 84 84 GLY N N 84 105.962 105.962 105.904 0.058 18325
9271 1 19 . 1 1 84 84 GLY C C 84 174.779 174.779 174.591 0.188 18325
9272 1 19 . 1 1 84 84 GLY CA C 84 45.847 45.847 45.749 0.098 18325
9273 1 19 . 1 1 84 84 GLY H H 84 8.019 8.019 8.110 -0.091 18325
9274 1 19 . 1 1 85 85 LEU N N 85 120.702 120.702 119.227 1.475 18325
9275 1 19 . 1 1 85 85 LEU HA H 85 4.275 4.275 4.419 -0.144 18325
9276 1 19 . 1 1 85 85 LEU C C 85 177.609 177.609 177.813 -0.204 18325
9277 1 19 . 1 1 85 85 LEU CA C 85 55.511 55.511 56.303 -0.792 18325
9278 1 19 . 1 1 85 85 LEU CB C 85 42.449 42.449 42.194 0.255 18325
9279 1 19 . 1 1 85 85 LEU H H 85 7.727 7.727 7.822 -0.095 18325
9280 1 19 . 1 1 86 86 GLU N N 86 120.386 120.386 119.442 0.944 18325
9281 1 19 . 1 1 86 86 GLU HA H 86 4.154 4.154 4.073 0.081 18325
9282 1 19 . 1 1 86 86 GLU C C 86 176.359 176.359 176.067 0.292 18325
9283 1 19 . 1 1 86 86 GLU CA C 86 56.941 56.941 57.898 -0.957 18325
9284 1 19 . 1 1 86 86 GLU CB C 86 30.180 30.180 30.012 0.168 18325
9285 1 19 . 1 1 86 86 GLU H H 86 8.238 8.238 8.554 -0.316 18325
9286 1 19 . 1 1 87 87 HIS N N 87 119.393 119.393 112.646 6.747 18325
9287 1 19 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.822 -0.232 18325
9288 1 19 . 1 1 87 87 HIS C C 87 174.000 174.000 172.972 1.028 18325
9289 1 19 . 1 1 87 87 HIS CA C 87 56.146 56.146 55.556 0.590 18325
9290 1 19 . 1 1 87 87 HIS CB C 87 30.335 30.335 32.544 -2.209 18325
9291 1 19 . 1 1 87 87 HIS H H 87 8.177 8.177 7.808 0.369 18325
9292 1 20 . 1 1 2 2 VAL HA H 2 4.195 4.195 4.322 -0.127 18325
9293 1 20 . 1 1 2 2 VAL C C 2 175.805 175.805 175.348 0.457 18325
9294 1 20 . 1 1 2 2 VAL CA C 2 62.388 62.388 60.680 1.708 18325
9295 1 20 . 1 1 2 2 VAL CB C 2 32.777 32.777 33.656 -0.879 18325
9296 1 20 . 1 1 3 3 THR N N 3 119.229 119.229 118.984 0.245 18325
9297 1 20 . 1 1 3 3 THR HA H 3 4.259 4.259 4.362 -0.103 18325
9298 1 20 . 1 1 3 3 THR C C 3 173.761 173.761 173.800 -0.039 18325
9299 1 20 . 1 1 3 3 THR CA C 3 61.673 61.673 62.715 -1.042 18325
9300 1 20 . 1 1 3 3 THR CB C 3 69.846 69.846 68.110 1.736 18325
9301 1 20 . 1 1 3 3 THR H H 3 8.256 8.256 8.554 -0.298 18325
9302 1 20 . 1 1 4 4 ALA N N 4 126.635 126.635 128.366 -1.731 18325
9303 1 20 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.786 -0.632 18325
9304 1 20 . 1 1 4 4 ALA C C 4 177.002 177.002 176.701 0.301 18325
9305 1 20 . 1 1 4 4 ALA CA C 4 52.159 52.159 51.054 1.105 18325
9306 1 20 . 1 1 4 4 ALA CB C 4 19.512 19.512 18.518 0.994 18325
9307 1 20 . 1 1 4 4 ALA H H 4 8.367 8.367 7.852 0.515 18325
9308 1 20 . 1 1 5 5 ALA N N 5 123.621 123.621 126.043 -2.422 18325
9309 1 20 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.486 -0.219 18325
9310 1 20 . 1 1 5 5 ALA C C 5 176.288 176.288 176.238 0.050 18325
9311 1 20 . 1 1 5 5 ALA CA C 5 52.894 52.894 51.981 0.913 18325
9312 1 20 . 1 1 5 5 ALA CB C 5 19.494 19.494 20.116 -0.623 18325
9313 1 20 . 1 1 5 5 ALA H H 5 8.374 8.374 8.133 0.241 18325
9314 1 20 . 1 1 6 6 LEU N N 6 115.731 115.731 113.221 2.510 18325
9315 1 20 . 1 1 6 6 LEU HA H 6 4.648 4.648 5.381 -0.733 18325
9316 1 20 . 1 1 6 6 LEU C C 6 175.007 175.007 175.259 -0.252 18325
9317 1 20 . 1 1 6 6 LEU CA C 6 54.263 54.263 52.739 1.524 18325
9318 1 20 . 1 1 6 6 LEU CB C 6 44.224 44.224 44.469 -0.246 18325
9319 1 20 . 1 1 6 6 LEU H H 6 7.478 7.478 7.361 0.117 18325
9320 1 20 . 1 1 7 7 THR N N 7 119.383 119.383 119.174 0.209 18325
9321 1 20 . 1 1 7 7 THR HA H 7 4.906 4.906 5.124 -0.218 18325
9322 1 20 . 1 1 7 7 THR C C 7 172.657 172.657 173.511 -0.854 18325
9323 1 20 . 1 1 7 7 THR CA C 7 61.586 61.586 61.711 -0.125 18325
9324 1 20 . 1 1 7 7 THR CB C 7 70.917 70.917 69.876 1.041 18325
9325 1 20 . 1 1 7 7 THR H H 7 8.342 8.342 8.958 -0.616 18325
9326 1 20 . 1 1 8 8 ILE N N 8 124.711 124.711 126.606 -1.895 18325
9327 1 20 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.620 -0.045 18325
9328 1 20 . 1 1 8 8 ILE C C 8 172.650 172.650 174.603 -1.953 18325
9329 1 20 . 1 1 8 8 ILE CA C 8 59.206 59.206 59.748 -0.542 18325
9330 1 20 . 1 1 8 8 ILE CB C 8 40.150 40.150 40.900 -0.750 18325
9331 1 20 . 1 1 8 8 ILE H H 8 9.050 9.050 9.006 0.044 18325
9332 1 20 . 1 1 9 9 TYR N N 9 128.517 128.517 127.475 1.042 18325
9333 1 20 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.618 0.807 18325
9334 1 20 . 1 1 9 9 TYR C C 9 176.445 176.445 174.791 1.654 18325
9335 1 20 . 1 1 9 9 TYR CA C 9 57.397 57.397 58.671 -1.274 18325
9336 1 20 . 1 1 9 9 TYR CB C 9 39.232 39.232 38.950 0.282 18325
9337 1 20 . 1 1 9 9 TYR H H 9 9.094 9.094 8.887 0.207 18325
9338 1 20 . 1 1 10 10 THR N N 10 112.214 112.214 115.217 -3.003 18325
9339 1 20 . 1 1 10 10 THR HA H 10 4.778 4.778 4.569 0.209 18325
9340 1 20 . 1 1 10 10 THR C C 10 173.410 173.410 173.094 0.316 18325
9341 1 20 . 1 1 10 10 THR CA C 10 59.893 59.893 59.886 0.007 18325
9342 1 20 . 1 1 10 10 THR CB C 10 72.063 72.063 71.911 0.152 18325
9343 1 20 . 1 1 10 10 THR H H 10 8.824 8.824 8.316 0.508 18325
9344 1 20 . 1 1 11 11 THR N N 11 103.866 103.866 115.988 -12.122 18325
9345 1 20 . 1 1 11 11 THR HA H 11 4.585 4.585 4.448 0.137 18325
9346 1 20 . 1 1 11 11 THR C C 11 176.335 176.335 175.352 0.983 18325
9347 1 20 . 1 1 11 11 THR CA C 11 60.389 60.389 61.449 -1.060 18325
9348 1 20 . 1 1 11 11 THR CB C 11 72.584 72.584 72.502 0.082 18325
9349 1 20 . 1 1 11 11 THR H H 11 6.667 6.667 8.276 -1.609 18325
9350 1 20 . 1 1 12 12 SER N N 12 116.991 116.991 120.377 -3.386 18325
9351 1 20 . 1 1 12 12 SER HA H 12 4.134 4.134 4.445 -0.311 18325
9352 1 20 . 1 1 12 12 SER C C 12 174.863 174.863 175.472 -0.609 18325
9353 1 20 . 1 1 12 12 SER CA C 12 61.183 61.183 60.610 0.573 18325
9354 1 20 . 1 1 12 12 SER CB C 12 62.845 62.845 63.144 -0.299 18325
9355 1 20 . 1 1 12 12 SER H H 12 9.561 9.561 9.524 0.037 18325
9356 1 20 . 1 1 13 13 TRP N N 13 117.675 117.675 119.969 -2.294 18325
9357 1 20 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.529 0.246 18325
9358 1 20 . 1 1 13 13 TRP C C 13 175.144 175.144 176.776 -1.632 18325
9359 1 20 . 1 1 13 13 TRP CA C 13 54.555 54.555 57.299 -2.744 18325
9360 1 20 . 1 1 13 13 TRP CB C 13 28.292 28.292 29.692 -1.400 18325
9361 1 20 . 1 1 13 13 TRP H H 13 6.996 6.996 7.640 -0.644 18325
9362 1 20 . 1 1 14 14 CYS N N 14 120.513 120.513 118.704 1.809 18325
9363 1 20 . 1 1 14 14 CYS HA H 14 4.498 4.498 4.821 -0.323 18325
9364 1 20 . 1 1 14 14 CYS CA C 14 53.859 53.859 58.633 -4.774 18325
9365 1 20 . 1 1 14 14 CYS CB C 14 44.419 44.419 28.074 16.345 18325
9366 1 20 . 1 1 14 14 CYS H H 14 6.755 6.755 7.769 -1.014 18325
9367 1 20 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.281 0.096 18325
9368 1 20 . 1 1 16 16 TYR C C 16 177.495 177.495 177.242 0.253 18325
9369 1 20 . 1 1 16 16 TYR CA C 16 60.662 60.662 60.450 0.212 18325
9370 1 20 . 1 1 16 16 TYR CB C 16 37.852 37.852 38.400 -0.548 18325
9371 1 20 . 1 1 17 17 CYS N N 17 114.160 114.160 118.386 -4.226 18325
9372 1 20 . 1 1 17 17 CYS HA H 17 3.923 3.923 3.988 -0.065 18325
9373 1 20 . 1 1 17 17 CYS C C 17 174.680 174.680 176.950 -2.270 18325
9374 1 20 . 1 1 17 17 CYS CA C 17 65.302 65.302 63.277 2.025 18325
9375 1 20 . 1 1 17 17 CYS CB C 17 33.986 33.986 25.980 8.006 18325
9376 1 20 . 1 1 17 17 CYS H H 17 8.495 8.495 8.154 0.341 18325
9377 1 20 . 1 1 18 18 LEU N N 18 119.295 119.295 120.542 -1.247 18325
9378 1 20 . 1 1 18 18 LEU HA H 18 4.031 4.031 3.990 0.041 18325
9379 1 20 . 1 1 18 18 LEU C C 18 179.001 179.001 178.405 0.596 18325
9380 1 20 . 1 1 18 18 LEU CA C 18 58.234 58.234 57.861 0.373 18325
9381 1 20 . 1 1 18 18 LEU CB C 18 41.205 41.205 41.896 -0.691 18325
9382 1 20 . 1 1 18 18 LEU H H 18 7.311 7.311 7.469 -0.158 18325
9383 1 20 . 1 1 19 19 ARG N N 19 119.771 119.771 120.210 -0.439 18325
9384 1 20 . 1 1 19 19 ARG HA H 19 3.998 3.998 4.009 -0.011 18325
9385 1 20 . 1 1 19 19 ARG C C 19 178.949 178.949 178.509 0.440 18325
9386 1 20 . 1 1 19 19 ARG CA C 19 59.597 59.597 58.450 1.147 18325
9387 1 20 . 1 1 19 19 ARG CB C 19 30.006 30.006 29.448 0.558 18325
9388 1 20 . 1 1 19 19 ARG H H 19 7.469 7.469 7.632 -0.163 18325
9389 1 20 . 1 1 20 20 LEU N N 20 120.802 120.802 119.769 1.033 18325
9390 1 20 . 1 1 20 20 LEU HA H 20 4.097 4.097 4.024 0.073 18325
9391 1 20 . 1 1 20 20 LEU C C 20 177.928 177.928 177.837 0.091 18325
9392 1 20 . 1 1 20 20 LEU CA C 20 57.757 57.757 57.620 0.137 18325
9393 1 20 . 1 1 20 20 LEU CB C 20 40.940 40.940 41.600 -0.660 18325
9394 1 20 . 1 1 20 20 LEU H H 20 8.150 8.150 7.604 0.546 18325
9395 1 20 . 1 1 21 21 LYS N N 21 117.910 117.910 119.437 -1.527 18325
9396 1 20 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.574 -0.294 18325
9397 1 20 . 1 1 21 21 LYS C C 21 178.851 178.851 178.721 0.130 18325
9398 1 20 . 1 1 21 21 LYS CA C 21 61.353 61.353 59.998 1.355 18325
9399 1 20 . 1 1 21 21 LYS CB C 21 31.698 31.698 32.263 -0.565 18325
9400 1 20 . 1 1 21 21 LYS H H 21 7.854 7.854 8.113 -0.259 18325
9401 1 20 . 1 1 22 22 THR N N 22 115.451 115.451 111.756 3.695 18325
9402 1 20 . 1 1 22 22 THR HA H 22 3.889 3.889 4.149 -0.260 18325
9403 1 20 . 1 1 22 22 THR C C 22 176.571 176.571 176.297 0.274 18325
9404 1 20 . 1 1 22 22 THR CA C 22 66.849 66.849 65.648 1.201 18325
9405 1 20 . 1 1 22 22 THR CB C 22 68.793 68.793 68.686 0.106 18325
9406 1 20 . 1 1 22 22 THR H H 22 8.125 8.125 8.274 -0.149 18325
9407 1 20 . 1 1 23 23 ALA N N 23 125.218 125.218 125.000 0.218 18325
9408 1 20 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.062 0.212 18325
9409 1 20 . 1 1 23 23 ALA C C 23 180.948 180.948 179.664 1.284 18325
9410 1 20 . 1 1 23 23 ALA CA C 23 55.003 55.003 54.949 0.054 18325
9411 1 20 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.173 0.669 18325
9412 1 20 . 1 1 23 23 ALA H H 23 7.892 7.892 7.488 0.404 18325
9413 1 20 . 1 1 24 24 LEU N N 24 120.007 120.007 117.773 2.234 18325
9414 1 20 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.931 0.087 18325
9415 1 20 . 1 1 24 24 LEU C C 24 179.738 179.738 179.259 0.479 18325
9416 1 20 . 1 1 24 24 LEU CA C 24 58.807 58.807 57.856 0.951 18325
9417 1 20 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.518 -1.704 18325
9418 1 20 . 1 1 24 24 LEU H H 24 8.775 8.775 8.498 0.277 18325
9419 1 20 . 1 1 25 25 THR N N 25 118.777 118.777 116.196 2.581 18325
9420 1 20 . 1 1 25 25 THR HA H 25 4.175 4.175 4.168 0.007 18325
9421 1 20 . 1 1 25 25 THR C C 25 178.539 178.539 177.153 1.386 18325
9422 1 20 . 1 1 25 25 THR CA C 25 67.138 67.138 66.721 0.417 18325
9423 1 20 . 1 1 25 25 THR CB C 25 68.679 68.679 68.535 0.144 18325
9424 1 20 . 1 1 25 25 THR H H 25 8.636 8.636 7.938 0.698 18325
9425 1 20 . 1 1 26 26 ALA N N 26 126.122 126.122 123.678 2.444 18325
9426 1 20 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.207 -0.019 18325
9427 1 20 . 1 1 26 26 ALA C C 26 178.536 178.536 178.720 -0.184 18325
9428 1 20 . 1 1 26 26 ALA CA C 26 55.134 55.134 54.490 0.644 18325
9429 1 20 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.111 -0.224 18325
9430 1 20 . 1 1 26 26 ALA H H 26 8.357 8.357 8.475 -0.118 18325
9431 1 20 . 1 1 27 27 ASN N N 27 114.755 114.755 114.980 -0.225 18325
9432 1 20 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.869 -0.172 18325
9433 1 20 . 1 1 27 27 ASN C C 27 172.751 172.751 174.555 -1.804 18325
9434 1 20 . 1 1 27 27 ASN CA C 27 53.712 53.712 53.071 0.641 18325
9435 1 20 . 1 1 27 27 ASN CB C 27 40.648 40.648 39.182 1.466 18325
9436 1 20 . 1 1 27 27 ASN H H 27 7.456 7.456 7.600 -0.144 18325
9437 1 20 . 1 1 28 28 ARG N N 28 115.444 115.444 116.941 -1.497 18325
9438 1 20 . 1 1 28 28 ARG HA H 28 3.934 3.934 3.966 -0.032 18325
9439 1 20 . 1 1 28 28 ARG C C 28 175.075 175.075 174.639 0.436 18325
9440 1 20 . 1 1 28 28 ARG CA C 28 57.091 57.091 57.602 -0.511 18325
9441 1 20 . 1 1 28 28 ARG CB C 28 26.393 26.393 28.510 -2.117 18325
9442 1 20 . 1 1 28 28 ARG H H 28 8.183 8.183 7.750 0.433 18325
9443 1 20 . 1 1 29 29 ILE N N 29 120.976 120.976 120.513 0.463 18325
9444 1 20 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.124 -0.045 18325
9445 1 20 . 1 1 29 29 ILE C C 29 175.050 175.050 174.648 0.402 18325
9446 1 20 . 1 1 29 29 ILE CA C 29 60.664 60.664 61.642 -0.978 18325
9447 1 20 . 1 1 29 29 ILE CB C 29 38.695 38.695 38.120 0.575 18325
9448 1 20 . 1 1 29 29 ILE H H 29 8.004 8.004 8.210 -0.206 18325
9449 1 20 . 1 1 30 30 ALA N N 30 131.099 131.099 130.651 0.448 18325
9450 1 20 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.587 -0.419 18325
9451 1 20 . 1 1 30 30 ALA C C 30 176.360 176.360 175.917 0.443 18325
9452 1 20 . 1 1 30 30 ALA CA C 30 51.819 51.819 51.138 0.681 18325
9453 1 20 . 1 1 30 30 ALA CB C 30 19.641 19.641 20.146 -0.505 18325
9454 1 20 . 1 1 30 30 ALA H H 30 8.329 8.329 8.564 -0.235 18325
9455 1 20 . 1 1 31 31 TYR N N 31 114.363 114.363 120.051 -5.688 18325
9456 1 20 . 1 1 31 31 TYR HA H 31 5.133 5.133 5.303 -0.170 18325
9457 1 20 . 1 1 31 31 TYR C C 31 173.470 173.470 173.620 -0.150 18325
9458 1 20 . 1 1 31 31 TYR CA C 31 55.522 55.522 55.603 -0.081 18325
9459 1 20 . 1 1 31 31 TYR CB C 31 41.184 41.184 41.130 0.054 18325
9460 1 20 . 1 1 31 31 TYR H H 31 7.509 7.509 7.890 -0.381 18325
9461 1 20 . 1 1 32 32 ASP N N 32 120.754 120.754 121.668 -0.914 18325
9462 1 20 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.922 0.004 18325
9463 1 20 . 1 1 32 32 ASP C C 32 174.611 174.611 175.047 -0.436 18325
9464 1 20 . 1 1 32 32 ASP CA C 32 52.875 52.875 52.350 0.525 18325
9465 1 20 . 1 1 32 32 ASP CB C 32 42.843 42.843 43.920 -1.077 18325
9466 1 20 . 1 1 32 32 ASP H H 32 8.517 8.517 8.558 -0.041 18325
9467 1 20 . 1 1 33 33 GLU N N 33 124.650 124.650 123.328 1.322 18325
9468 1 20 . 1 1 33 33 GLU HA H 33 5.205 5.205 5.239 -0.034 18325
9469 1 20 . 1 1 33 33 GLU C C 33 175.049 175.049 175.874 -0.825 18325
9470 1 20 . 1 1 33 33 GLU CA C 33 54.489 54.489 54.858 -0.369 18325
9471 1 20 . 1 1 33 33 GLU CB C 33 32.425 32.425 31.300 1.125 18325
9472 1 20 . 1 1 33 33 GLU H H 33 8.836 8.836 8.502 0.334 18325
9473 1 20 . 1 1 34 34 VAL N N 34 128.112 128.112 122.541 5.571 18325
9474 1 20 . 1 1 34 34 VAL HA H 34 4.062 4.062 4.030 0.032 18325
9475 1 20 . 1 1 34 34 VAL C C 34 173.620 173.620 176.578 -2.958 18325
9476 1 20 . 1 1 34 34 VAL CA C 34 61.427 61.427 61.513 -0.086 18325
9477 1 20 . 1 1 34 34 VAL CB C 34 34.690 34.690 32.662 2.028 18325
9478 1 20 . 1 1 34 34 VAL H H 34 8.615 8.615 8.277 0.338 18325
9479 1 20 . 1 1 35 35 ASP N N 35 127.319 127.319 121.235 6.084 18325
9480 1 20 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.280 0.657 18325
9481 1 20 . 1 1 35 35 ASP C C 35 179.260 179.260 177.382 1.878 18325
9482 1 20 . 1 1 35 35 ASP CA C 35 61.428 61.428 56.012 5.416 18325
9483 1 20 . 1 1 35 35 ASP CB C 35 41.858 41.858 40.443 1.415 18325
9484 1 20 . 1 1 35 35 ASP H H 35 8.458 8.458 8.611 -0.153 18325
9485 1 20 . 1 1 36 36 ILE N N 36 119.537 119.537 118.321 1.216 18325
9486 1 20 . 1 1 36 36 ILE HA H 36 4.360 4.360 3.977 0.383 18325
9487 1 20 . 1 1 36 36 ILE C C 36 176.943 176.943 177.773 -0.830 18325
9488 1 20 . 1 1 36 36 ILE CA C 36 63.681 63.681 64.023 -0.342 18325
9489 1 20 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.343 0.294 18325
9490 1 20 . 1 1 36 36 ILE H H 36 8.833 8.833 7.793 1.040 18325
9491 1 20 . 1 1 37 37 GLU N N 37 122.074 122.074 121.032 1.042 18325
9492 1 20 . 1 1 37 37 GLU HA H 37 4.131 4.131 3.916 0.215 18325
9493 1 20 . 1 1 37 37 GLU C C 37 177.224 177.224 177.300 -0.076 18325
9494 1 20 . 1 1 37 37 GLU CA C 37 58.503 58.503 58.538 -0.035 18325
9495 1 20 . 1 1 37 37 GLU CB C 37 29.312 29.312 29.884 -0.573 18325
9496 1 20 . 1 1 37 37 GLU H H 37 8.815 8.815 8.462 0.353 18325
9497 1 20 . 1 1 38 38 HIS N N 38 114.611 114.611 111.880 2.731 18325
9498 1 20 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.906 -0.060 18325
9499 1 20 . 1 1 38 38 HIS C C 38 174.168 174.168 173.922 0.246 18325
9500 1 20 . 1 1 38 38 HIS CA C 38 55.189 55.189 54.204 0.985 18325
9501 1 20 . 1 1 38 38 HIS CB C 38 30.936 30.936 29.854 1.082 18325
9502 1 20 . 1 1 38 38 HIS H H 38 7.661 7.661 7.637 0.024 18325
9503 1 20 . 1 1 39 39 ASN N N 39 117.944 117.944 119.639 -1.695 18325
9504 1 20 . 1 1 39 39 ASN HA H 39 4.900 4.900 4.853 0.047 18325
9505 1 20 . 1 1 39 39 ASN C C 39 173.626 173.626 175.600 -1.974 18325
9506 1 20 . 1 1 39 39 ASN CA C 39 52.634 52.634 52.476 0.158 18325
9507 1 20 . 1 1 39 39 ASN CB C 39 39.436 39.436 39.673 -0.237 18325
9508 1 20 . 1 1 39 39 ASN H H 39 7.095 7.095 7.487 -0.392 18325
9509 1 20 . 1 1 40 40 ARG N N 40 126.603 126.603 125.497 1.106 18325
9510 1 20 . 1 1 40 40 ARG HA H 40 4.142 4.142 4.131 0.011 18325
9511 1 20 . 1 1 40 40 ARG C C 40 178.292 178.292 177.040 1.252 18325
9512 1 20 . 1 1 40 40 ARG CA C 40 59.371 59.371 58.791 0.580 18325
9513 1 20 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.760 0.159 18325
9514 1 20 . 1 1 40 40 ARG H H 40 8.750 8.750 8.753 -0.003 18325
9515 1 20 . 1 1 41 41 ALA N N 41 122.148 122.148 122.577 -0.429 18325
9516 1 20 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.158 0.044 18325
9517 1 20 . 1 1 41 41 ALA C C 41 181.236 181.236 179.143 2.093 18325
9518 1 20 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.729 0.347 18325
9519 1 20 . 1 1 41 41 ALA CB C 41 17.795 17.795 18.073 -0.279 18325
9520 1 20 . 1 1 41 41 ALA H H 41 8.460 8.460 7.873 0.587 18325
9521 1 20 . 1 1 42 42 ALA N N 42 122.394 122.394 119.272 3.122 18325
9522 1 20 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.156 0.068 18325
9523 1 20 . 1 1 42 42 ALA C C 42 178.949 178.949 178.875 0.074 18325
9524 1 20 . 1 1 42 42 ALA CA C 42 54.423 54.423 53.682 0.741 18325
9525 1 20 . 1 1 42 42 ALA CB C 42 19.786 19.786 18.586 1.200 18325
9526 1 20 . 1 1 42 42 ALA H H 42 7.973 7.973 7.931 0.042 18325
9527 1 20 . 1 1 43 43 ALA N N 43 120.965 120.965 122.294 -1.329 18325
9528 1 20 . 1 1 43 43 ALA HA H 43 3.788 3.788 3.950 -0.162 18325
9529 1 20 . 1 1 43 43 ALA C C 43 179.994 179.994 179.109 0.885 18325
9530 1 20 . 1 1 43 43 ALA CA C 43 56.189 56.189 55.140 1.049 18325
9531 1 20 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.229 -0.195 18325
9532 1 20 . 1 1 43 43 ALA H H 43 8.170 8.170 7.589 0.581 18325
9533 1 20 . 1 1 44 44 GLU N N 44 117.052 117.052 119.245 -2.193 18325
9534 1 20 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.046 -0.093 18325
9535 1 20 . 1 1 44 44 GLU C C 44 179.698 179.698 178.572 1.126 18325
9536 1 20 . 1 1 44 44 GLU CA C 44 58.934 58.934 58.942 -0.008 18325
9537 1 20 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.468 -0.342 18325
9538 1 20 . 1 1 44 44 GLU H H 44 8.240 8.240 8.051 0.189 18325
9539 1 20 . 1 1 45 45 PHE N N 45 122.282 122.282 118.978 3.304 18325
9540 1 20 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.268 -0.036 18325
9541 1 20 . 1 1 45 45 PHE C C 45 177.994 177.994 177.042 0.952 18325
9542 1 20 . 1 1 45 45 PHE CA C 45 61.170 61.170 60.858 0.312 18325
9543 1 20 . 1 1 45 45 PHE CB C 45 38.225 38.225 39.188 -0.963 18325
9544 1 20 . 1 1 45 45 PHE H H 45 8.068 8.068 7.501 0.567 18325
9545 1 20 . 1 1 46 46 VAL N N 46 120.442 120.442 119.642 0.800 18325
9546 1 20 . 1 1 46 46 VAL HA H 46 2.908 2.908 3.143 -0.235 18325
9547 1 20 . 1 1 46 46 VAL C C 46 178.852 178.852 177.670 1.182 18325
9548 1 20 . 1 1 46 46 VAL CA C 46 67.186 67.186 66.951 0.235 18325
9549 1 20 . 1 1 46 46 VAL CB C 46 31.143 31.143 31.065 0.078 18325
9550 1 20 . 1 1 46 46 VAL H H 46 8.363 8.363 7.621 0.742 18325
9551 1 20 . 1 1 47 47 GLY N N 47 105.864 105.864 105.024 0.840 18325
9552 1 20 . 1 1 47 47 GLY C C 47 176.759 176.759 175.476 1.283 18325
9553 1 20 . 1 1 47 47 GLY CA C 47 46.690 46.690 47.056 -0.366 18325
9554 1 20 . 1 1 47 47 GLY H H 47 8.187 8.187 7.720 0.467 18325
9555 1 20 . 1 1 48 48 SER N N 48 118.796 118.796 116.031 2.765 18325
9556 1 20 . 1 1 48 48 SER HA H 48 4.201 4.201 4.345 -0.144 18325
9557 1 20 . 1 1 48 48 SER C C 48 176.571 176.571 176.290 0.281 18325
9558 1 20 . 1 1 48 48 SER CA C 48 61.440 61.440 60.462 0.978 18325
9559 1 20 . 1 1 48 48 SER CB C 48 62.661 62.661 63.054 -0.393 18325
9560 1 20 . 1 1 48 48 SER H H 48 8.045 8.045 7.375 0.670 18325
9561 1 20 . 1 1 49 49 VAL N N 49 114.967 114.967 115.232 -0.265 18325
9562 1 20 . 1 1 49 49 VAL HA H 49 4.356 4.356 3.814 0.542 18325
9563 1 20 . 1 1 49 49 VAL C C 49 175.807 175.807 175.941 -0.134 18325
9564 1 20 . 1 1 49 49 VAL CA C 49 62.064 62.064 63.639 -1.575 18325
9565 1 20 . 1 1 49 49 VAL CB C 49 31.110 31.110 31.980 -0.870 18325
9566 1 20 . 1 1 49 49 VAL H H 49 7.040 7.040 7.265 -0.225 18325
9567 1 20 . 1 1 50 50 ASN N N 50 119.765 119.765 117.882 1.883 18325
9568 1 20 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.777 0.357 18325
9569 1 20 . 1 1 50 50 ASN C C 50 176.473 176.473 174.769 1.704 18325
9570 1 20 . 1 1 50 50 ASN CA C 50 53.454 53.454 51.245 2.208 18325
9571 1 20 . 1 1 50 50 ASN CB C 50 40.815 40.815 37.927 2.888 18325
9572 1 20 . 1 1 50 50 ASN H H 50 7.364 7.364 7.860 -0.496 18325
9573 1 20 . 1 1 51 51 GLY N N 51 110.407 110.407 109.644 0.763 18325
9574 1 20 . 1 1 51 51 GLY C C 51 174.967 174.967 175.046 -0.079 18325
9575 1 20 . 1 1 51 51 GLY CA C 51 47.543 47.543 45.822 1.721 18325
9576 1 20 . 1 1 51 51 GLY H H 51 8.546 8.546 8.646 -0.100 18325
9577 1 20 . 1 1 52 52 GLY N N 52 106.482 106.482 113.243 -6.761 18325
9578 1 20 . 1 1 52 52 GLY C C 52 174.134 174.134 174.057 0.077 18325
9579 1 20 . 1 1 52 52 GLY CA C 52 44.424 44.424 44.829 -0.405 18325
9580 1 20 . 1 1 52 52 GLY H H 52 8.810 8.810 8.236 0.574 18325
9581 1 20 . 1 1 53 53 ASN N N 53 119.129 119.129 118.856 0.273 18325
9582 1 20 . 1 1 53 53 ASN HA H 53 4.738 4.738 5.037 -0.299 18325
9583 1 20 . 1 1 53 53 ASN C C 53 174.828 174.828 173.344 1.484 18325
9584 1 20 . 1 1 53 53 ASN CA C 53 52.654 52.654 51.795 0.859 18325
9585 1 20 . 1 1 53 53 ASN CB C 53 40.237 40.237 40.575 -0.338 18325
9586 1 20 . 1 1 53 53 ASN H H 53 7.330 7.330 7.896 -0.566 18325
9587 1 20 . 1 1 54 54 ARG N N 54 125.094 125.094 120.196 4.898 18325
9588 1 20 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.500 -0.366 18325
9589 1 20 . 1 1 54 54 ARG C C 54 174.863 174.863 175.198 -0.335 18325
9590 1 20 . 1 1 54 54 ARG CA C 54 55.132 55.132 55.002 0.130 18325
9591 1 20 . 1 1 54 54 ARG CB C 54 27.409 27.409 30.482 -3.072 18325
9592 1 20 . 1 1 54 54 ARG H H 54 8.826 8.826 8.632 0.194 18325
9593 1 20 . 1 1 55 55 THR N N 55 117.920 117.920 119.213 -1.293 18325
9594 1 20 . 1 1 55 55 THR HA H 55 4.020 4.020 4.328 -0.308 18325
9595 1 20 . 1 1 55 55 THR C C 55 172.459 172.459 175.483 -3.024 18325
9596 1 20 . 1 1 55 55 THR CA C 55 63.451 63.451 63.224 0.227 18325
9597 1 20 . 1 1 55 55 THR CB C 55 69.158 69.158 69.343 -0.185 18325
9598 1 20 . 1 1 55 55 THR H H 55 6.994 6.994 8.890 -1.896 18325
9599 1 20 . 1 1 56 56 VAL N N 56 117.300 117.300 126.685 -9.385 18325
9600 1 20 . 1 1 56 56 VAL HA H 56 4.735 4.735 4.032 0.703 18325
9601 1 20 . 1 1 56 56 VAL CA C 56 56.872 56.872 66.991 -10.119 18325
9602 1 20 . 1 1 56 56 VAL CB C 56 34.378 34.378 30.142 4.236 18325
9603 1 20 . 1 1 56 56 VAL H H 56 8.172 8.172 8.807 -0.635 18325
9604 1 20 . 1 1 57 57 PRO HA H 57 5.350 5.350 4.976 0.374 18325
9605 1 20 . 1 1 57 57 PRO C C 57 176.879 176.879 175.748 1.131 18325
9606 1 20 . 1 1 57 57 PRO CA C 57 62.246 62.246 62.452 -0.206 18325
9607 1 20 . 1 1 57 57 PRO CB C 57 34.293 34.293 29.855 4.438 18325
9608 1 20 . 1 1 58 58 THR N N 58 120.440 120.440 119.771 0.669 18325
9609 1 20 . 1 1 58 58 THR HA H 58 5.042 5.042 5.219 -0.177 18325
9610 1 20 . 1 1 58 58 THR C C 58 172.321 172.321 172.991 -0.670 18325
9611 1 20 . 1 1 58 58 THR CA C 58 63.449 63.449 62.304 1.145 18325
9612 1 20 . 1 1 58 58 THR CB C 58 71.892 71.892 71.712 0.180 18325
9613 1 20 . 1 1 58 58 THR H H 58 7.948 7.948 8.905 -0.957 18325
9614 1 20 . 1 1 59 59 VAL N N 59 126.444 126.444 127.072 -0.628 18325
9615 1 20 . 1 1 59 59 VAL HA H 59 5.095 5.095 4.990 0.105 18325
9616 1 20 . 1 1 59 59 VAL C C 59 173.176 173.176 173.240 -0.064 18325
9617 1 20 . 1 1 59 59 VAL CA C 59 60.133 60.133 59.489 0.644 18325
9618 1 20 . 1 1 59 59 VAL CB C 59 34.117 34.117 35.315 -1.198 18325
9619 1 20 . 1 1 59 59 VAL H H 59 9.428 9.428 9.313 0.115 18325
9620 1 20 . 1 1 60 60 LYS N N 60 126.183 126.183 129.290 -3.107 18325
9621 1 20 . 1 1 60 60 LYS HA H 60 5.379 5.379 5.287 0.092 18325
9622 1 20 . 1 1 60 60 LYS C C 60 175.404 175.404 175.329 0.075 18325
9623 1 20 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.464 0.147 18325
9624 1 20 . 1 1 60 60 LYS CB C 60 37.601 37.601 34.776 2.825 18325
9625 1 20 . 1 1 60 60 LYS H H 60 9.214 9.214 9.007 0.207 18325
9626 1 20 . 1 1 61 61 PHE N N 61 126.709 126.709 124.521 2.188 18325
9627 1 20 . 1 1 61 61 PHE HA H 61 4.736 4.736 5.157 -0.421 18325
9628 1 20 . 1 1 61 61 PHE C C 61 178.102 178.102 177.320 0.782 18325
9629 1 20 . 1 1 61 61 PHE CA C 61 58.048 58.048 57.522 0.526 18325
9630 1 20 . 1 1 61 61 PHE CB C 61 41.221 41.221 40.760 0.461 18325
9631 1 20 . 1 1 61 61 PHE H H 61 9.069 9.069 9.399 -0.330 18325
9632 1 20 . 1 1 62 62 ALA N N 62 123.358 123.358 125.214 -1.856 18325
9633 1 20 . 1 1 62 62 ALA HA H 62 4.134 4.134 4.038 0.096 18325
9634 1 20 . 1 1 62 62 ALA C C 62 177.754 177.754 178.543 -0.789 18325
9635 1 20 . 1 1 62 62 ALA CA C 62 54.940 54.940 54.884 0.056 18325
9636 1 20 . 1 1 62 62 ALA CB C 62 19.243 19.243 18.576 0.667 18325
9637 1 20 . 1 1 62 62 ALA H H 62 9.728 9.728 9.060 0.668 18325
9638 1 20 . 1 1 63 63 ASP N N 63 113.412 113.412 117.735 -4.323 18325
9639 1 20 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.475 0.111 18325
9640 1 20 . 1 1 63 63 ASP C C 63 177.032 177.032 177.713 -0.681 18325
9641 1 20 . 1 1 63 63 ASP CA C 63 53.141 53.141 54.534 -1.393 18325
9642 1 20 . 1 1 63 63 ASP CB C 63 40.040 40.040 40.873 -0.833 18325
9643 1 20 . 1 1 63 63 ASP H H 63 7.675 7.675 8.098 -0.423 18325
9644 1 20 . 1 1 64 64 GLY N N 64 109.285 109.285 107.083 2.202 18325
9645 1 20 . 1 1 64 64 GLY C C 64 173.680 173.680 174.212 -0.532 18325
9646 1 20 . 1 1 64 64 GLY CA C 64 45.328 45.328 45.169 0.159 18325
9647 1 20 . 1 1 64 64 GLY H H 64 8.361 8.361 8.383 -0.022 18325
9648 1 20 . 1 1 65 65 SER N N 65 117.733 117.733 116.512 1.221 18325
9649 1 20 . 1 1 65 65 SER HA H 65 4.567 4.567 4.589 -0.022 18325
9650 1 20 . 1 1 65 65 SER C C 65 173.595 173.595 174.214 -0.619 18325
9651 1 20 . 1 1 65 65 SER CA C 65 58.964 58.964 58.647 0.317 18325
9652 1 20 . 1 1 65 65 SER CB C 65 64.637 64.637 63.979 0.658 18325
9653 1 20 . 1 1 65 65 SER H H 65 8.287 8.287 7.724 0.563 18325
9654 1 20 . 1 1 66 66 THR N N 66 106.725 106.725 115.228 -8.503 18325
9655 1 20 . 1 1 66 66 THR HA H 66 6.250 6.250 5.560 0.690 18325
9656 1 20 . 1 1 66 66 THR C C 66 175.730 175.730 174.098 1.632 18325
9657 1 20 . 1 1 66 66 THR CA C 66 59.494 59.494 60.450 -0.956 18325
9658 1 20 . 1 1 66 66 THR CB C 66 73.049 73.049 71.012 2.037 18325
9659 1 20 . 1 1 66 66 THR H H 66 8.221 8.221 8.414 -0.193 18325
9660 1 20 . 1 1 67 67 LEU N N 67 117.517 117.517 126.952 -9.435 18325
9661 1 20 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.746 0.122 18325
9662 1 20 . 1 1 67 67 LEU C C 67 176.030 176.030 175.451 0.579 18325
9663 1 20 . 1 1 67 67 LEU CA C 67 54.768 54.768 54.714 0.054 18325
9664 1 20 . 1 1 67 67 LEU CB C 67 47.406 47.406 45.565 1.841 18325
9665 1 20 . 1 1 67 67 LEU H H 67 8.763 8.763 9.310 -0.547 18325
9666 1 20 . 1 1 68 68 THR N N 68 120.988 120.988 120.527 0.461 18325
9667 1 20 . 1 1 68 68 THR HA H 68 4.616 4.616 4.802 -0.186 18325
9668 1 20 . 1 1 68 68 THR C C 68 173.201 173.201 174.360 -1.159 18325
9669 1 20 . 1 1 68 68 THR CA C 68 62.802 62.802 62.130 0.672 18325
9670 1 20 . 1 1 68 68 THR CB C 68 69.226 69.226 69.438 -0.212 18325
9671 1 20 . 1 1 68 68 THR H H 68 9.226 9.226 8.657 0.569 18325
9672 1 20 . 1 1 69 69 ASN N N 69 122.679 122.679 122.158 0.521 18325
9673 1 20 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.602 -0.312 18325
9674 1 20 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.729 0.737 18325
9675 1 20 . 1 1 69 69 ASN CB C 69 38.731 38.731 37.387 1.344 18325
9676 1 20 . 1 1 69 69 ASN H H 69 9.097 9.097 8.706 0.391 18325
9677 1 20 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.635 0.234 18325
9678 1 20 . 1 1 70 70 PRO C C 70 177.239 177.239 176.115 1.124 18325
9679 1 20 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.555 0.502 18325
9680 1 20 . 1 1 70 70 PRO CB C 70 32.153 32.153 33.162 -1.009 18325
9681 1 20 . 1 1 71 71 SER N N 71 115.373 115.373 115.129 0.244 18325
9682 1 20 . 1 1 71 71 SER HA H 71 4.620 4.620 4.593 0.027 18325
9683 1 20 . 1 1 71 71 SER C C 71 175.966 175.966 176.063 -0.097 18325
9684 1 20 . 1 1 71 71 SER CA C 71 56.624 56.624 57.256 -0.632 18325
9685 1 20 . 1 1 71 71 SER CB C 71 65.562 65.562 64.602 0.960 18325
9686 1 20 . 1 1 71 71 SER H H 71 8.932 8.932 9.151 -0.219 18325
9687 1 20 . 1 1 72 72 ALA N N 72 124.008 124.008 126.663 -2.655 18325
9688 1 20 . 1 1 72 72 ALA HA H 72 3.763 3.763 4.064 -0.301 18325
9689 1 20 . 1 1 72 72 ALA C C 72 179.550 179.550 179.385 0.165 18325
9690 1 20 . 1 1 72 72 ALA CA C 72 55.970 55.970 55.140 0.830 18325
9691 1 20 . 1 1 72 72 ALA CB C 72 17.873 17.873 18.212 -0.339 18325
9692 1 20 . 1 1 72 72 ALA H H 72 9.235 9.235 8.867 0.368 18325
9693 1 20 . 1 1 73 73 ASP N N 73 116.584 116.584 117.670 -1.086 18325
9694 1 20 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.346 -0.016 18325
9695 1 20 . 1 1 73 73 ASP C C 73 179.219 179.219 178.616 0.603 18325
9696 1 20 . 1 1 73 73 ASP CA C 73 57.583 57.583 58.040 -0.457 18325
9697 1 20 . 1 1 73 73 ASP CB C 73 40.300 40.300 40.267 0.034 18325
9698 1 20 . 1 1 73 73 ASP H H 73 8.277 8.277 8.851 -0.574 18325
9699 1 20 . 1 1 74 74 GLU N N 74 122.057 122.057 120.679 1.378 18325
9700 1 20 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.120 -0.105 18325
9701 1 20 . 1 1 74 74 GLU C C 74 180.045 180.045 179.204 0.841 18325
9702 1 20 . 1 1 74 74 GLU CA C 74 59.199 59.199 59.064 0.135 18325
9703 1 20 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.676 0.398 18325
9704 1 20 . 1 1 74 74 GLU H H 74 7.925 7.925 7.519 0.406 18325
9705 1 20 . 1 1 75 75 VAL N N 75 120.141 120.141 120.383 -0.242 18325
9706 1 20 . 1 1 75 75 VAL HA H 75 3.681 3.681 3.819 -0.138 18325
9707 1 20 . 1 1 75 75 VAL C C 75 177.008 177.008 177.919 -0.911 18325
9708 1 20 . 1 1 75 75 VAL CA C 75 67.172 67.172 66.720 0.452 18325
9709 1 20 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.705 -0.468 18325
9710 1 20 . 1 1 75 75 VAL H H 75 7.885 7.885 7.999 -0.114 18325
9711 1 20 . 1 1 76 76 LYS N N 76 118.715 118.715 120.685 -1.970 18325
9712 1 20 . 1 1 76 76 LYS HA H 76 3.827 3.827 3.970 -0.143 18325
9713 1 20 . 1 1 76 76 LYS C C 76 178.105 178.105 178.227 -0.122 18325
9714 1 20 . 1 1 76 76 LYS CA C 76 60.397 60.397 59.124 1.273 18325
9715 1 20 . 1 1 76 76 LYS CB C 76 32.405 32.405 31.842 0.563 18325
9716 1 20 . 1 1 76 76 LYS H H 76 8.298 8.298 8.469 -0.171 18325
9717 1 20 . 1 1 77 77 ALA N N 77 118.993 118.993 119.863 -0.870 18325
9718 1 20 . 1 1 77 77 ALA HA H 77 4.031 4.031 4.218 -0.187 18325
9719 1 20 . 1 1 77 77 ALA C C 77 180.450 180.450 180.146 0.304 18325
9720 1 20 . 1 1 77 77 ALA CA C 77 54.820 54.820 54.812 0.008 18325
9721 1 20 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.236 -0.036 18325
9722 1 20 . 1 1 77 77 ALA H H 77 7.985 7.985 8.166 -0.181 18325
9723 1 20 . 1 1 78 78 LYS N N 78 119.952 119.952 119.133 0.819 18325
9724 1 20 . 1 1 78 78 LYS HA H 78 3.975 3.975 4.076 -0.101 18325
9725 1 20 . 1 1 78 78 LYS C C 78 177.949 177.949 178.447 -0.498 18325
9726 1 20 . 1 1 78 78 LYS CA C 78 58.079 58.079 57.802 0.277 18325
9727 1 20 . 1 1 78 78 LYS CB C 78 31.342 31.342 31.937 -0.595 18325
9728 1 20 . 1 1 78 78 LYS H H 78 7.480 7.480 7.699 -0.219 18325
9729 1 20 . 1 1 79 79 LEU N N 79 118.729 118.729 121.971 -3.242 18325
9730 1 20 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.162 -0.126 18325
9731 1 20 . 1 1 79 79 LEU C C 79 180.234 180.234 178.812 1.422 18325
9732 1 20 . 1 1 79 79 LEU CA C 79 58.096 58.096 58.273 -0.177 18325
9733 1 20 . 1 1 79 79 LEU CB C 79 41.776 41.776 41.785 -0.009 18325
9734 1 20 . 1 1 79 79 LEU H H 79 8.075 8.075 8.496 -0.421 18325
9735 1 20 . 1 1 80 80 VAL N N 80 118.567 118.567 115.319 3.248 18325
9736 1 20 . 1 1 80 80 VAL HA H 80 3.733 3.733 3.716 0.017 18325
9737 1 20 . 1 1 80 80 VAL C C 80 178.390 178.390 177.404 0.986 18325
9738 1 20 . 1 1 80 80 VAL CA C 80 65.895 65.895 66.573 -0.678 18325
9739 1 20 . 1 1 80 80 VAL CB C 80 31.961 31.961 31.027 0.934 18325
9740 1 20 . 1 1 80 80 VAL H H 80 7.867 7.867 7.994 -0.127 18325
9741 1 20 . 1 1 81 81 LYS N N 81 121.106 121.106 118.775 2.331 18325
9742 1 20 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.173 -0.081 18325
9743 1 20 . 1 1 81 81 LYS C C 81 179.434 179.434 178.453 0.981 18325
9744 1 20 . 1 1 81 81 LYS CA C 81 58.943 58.943 58.539 0.404 18325
9745 1 20 . 1 1 81 81 LYS CB C 81 32.497 32.497 32.481 0.016 18325
9746 1 20 . 1 1 81 81 LYS H H 81 7.565 7.565 7.269 0.296 18325
9747 1 20 . 1 1 82 82 ILE N N 82 117.365 117.365 115.387 1.978 18325
9748 1 20 . 1 1 82 82 ILE HA H 82 3.953 3.953 4.076 -0.123 18325
9749 1 20 . 1 1 82 82 ILE C C 82 177.482 177.482 177.113 0.369 18325
9750 1 20 . 1 1 82 82 ILE CA C 82 63.598 63.598 62.400 1.198 18325
9751 1 20 . 1 1 82 82 ILE CB C 82 38.372 38.372 38.024 0.348 18325
9752 1 20 . 1 1 82 82 ILE H H 82 8.124 8.124 8.056 0.068 18325
9753 1 20 . 1 1 83 83 ALA N N 83 123.334 123.334 120.563 2.771 18325
9754 1 20 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.438 -0.159 18325
9755 1 20 . 1 1 83 83 ALA C C 83 179.104 179.104 179.193 -0.089 18325
9756 1 20 . 1 1 83 83 ALA CA C 83 53.851 53.851 53.302 0.549 18325
9757 1 20 . 1 1 83 83 ALA CB C 83 18.769 18.769 20.066 -1.296 18325
9758 1 20 . 1 1 83 83 ALA H H 83 7.867 7.867 8.392 -0.525 18325
9759 1 20 . 1 1 84 84 GLY N N 84 105.962 105.962 107.110 -1.148 18325
9760 1 20 . 1 1 84 84 GLY C C 84 174.779 174.779 175.437 -0.658 18325
9761 1 20 . 1 1 84 84 GLY CA C 84 45.847 45.847 46.602 -0.755 18325
9762 1 20 . 1 1 84 84 GLY H H 84 8.019 8.019 8.124 -0.105 18325
9763 1 20 . 1 1 85 85 LEU N N 85 120.702 120.702 124.354 -3.652 18325
9764 1 20 . 1 1 85 85 LEU HA H 85 4.275 4.275 4.538 -0.263 18325
9765 1 20 . 1 1 85 85 LEU C C 85 177.609 177.609 175.929 1.680 18325
9766 1 20 . 1 1 85 85 LEU CA C 85 55.511 55.511 54.151 1.360 18325
9767 1 20 . 1 1 85 85 LEU CB C 85 42.449 42.449 41.870 0.579 18325
9768 1 20 . 1 1 85 85 LEU H H 85 7.727 7.727 7.759 -0.032 18325
9769 1 20 . 1 1 86 86 GLU N N 86 120.386 120.386 120.632 -0.246 18325
9770 1 20 . 1 1 86 86 GLU HA H 86 4.154 4.154 4.437 -0.283 18325
9771 1 20 . 1 1 86 86 GLU C C 86 176.359 176.359 175.817 0.542 18325
9772 1 20 . 1 1 86 86 GLU CA C 86 56.941 56.941 54.934 2.007 18325
9773 1 20 . 1 1 86 86 GLU CB C 86 30.180 30.180 28.974 1.206 18325
9774 1 20 . 1 1 86 86 GLU H H 86 8.238 8.238 8.083 0.155 18325
9775 1 20 . 1 1 87 87 HIS N N 87 119.393 119.393 124.891 -5.498 18325
9776 1 20 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.239 0.351 18325
9777 1 20 . 1 1 87 87 HIS C C 87 174.000 174.000 173.516 0.484 18325
9778 1 20 . 1 1 87 87 HIS CA C 87 56.146 56.146 56.665 -0.519 18325
9779 1 20 . 1 1 87 87 HIS CB C 87 30.335 30.335 28.843 1.492 18325
9780 1 20 . 1 1 87 87 HIS H H 87 8.177 8.177 8.691 -0.514 18325
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 81 3.034 0.353 3.032 18325
2 1 1 "Average Difference" HA 90 0.301 0.000 0.303 18325
3 1 1 "Average Difference" C 82 1.067 -0.059 1.072 18325
4 1 1 "Average Difference" CA 85 1.617 -0.177 1.617 18325
5 1 1 "Average Difference" CB 80 2.217 -0.606 2.146 18325
6 1 1 "Average Difference" HN 81 0.570 0.037 0.572 18325
7 1 2 "Average Difference" N 81 3.277 0.484 3.261 18325
8 1 2 "Average Difference" HA 90 0.250 -0.020 0.251 18325
9 1 2 "Average Difference" C 82 1.021 -0.201 1.008 18325
10 1 2 "Average Difference" CA 85 1.584 -0.143 1.587 18325
11 1 2 "Average Difference" CB 80 2.232 -0.565 2.173 18325
12 1 2 "Average Difference" HN 81 0.572 -0.021 0.575 18325
13 1 3 "Average Difference" N 81 3.226 0.698 3.169 18325
14 1 3 "Average Difference" HA 90 0.263 -0.002 0.265 18325
15 1 3 "Average Difference" C 82 1.097 -0.174 1.090 18325
16 1 3 "Average Difference" CA 85 1.608 -0.143 1.611 18325
17 1 3 "Average Difference" CB 80 2.261 -0.583 2.198 18325
18 1 3 "Average Difference" HN 81 0.576 0.014 0.579 18325
19 1 4 "Average Difference" N 81 3.242 0.710 3.183 18325
20 1 4 "Average Difference" HA 90 0.273 -0.019 0.274 18325
21 1 4 "Average Difference" C 82 1.070 -0.210 1.055 18325
22 1 4 "Average Difference" CA 85 1.517 -0.177 1.516 18325
23 1 4 "Average Difference" CB 80 2.205 -0.326 2.194 18325
24 1 4 "Average Difference" HN 81 0.558 -0.012 0.562 18325
25 1 5 "Average Difference" N 81 2.864 0.068 2.881 18325
26 1 5 "Average Difference" HA 90 0.284 -0.022 0.285 18325
27 1 5 "Average Difference" C 82 1.003 -0.121 1.002 18325
28 1 5 "Average Difference" CA 85 1.539 -0.151 1.541 18325
29 1 5 "Average Difference" CB 80 2.120 -0.506 2.072 18325
30 1 5 "Average Difference" HN 81 0.534 -0.013 0.537 18325
31 1 6 "Average Difference" N 81 3.192 0.361 3.191 18325
32 1 6 "Average Difference" HA 90 0.281 -0.009 0.282 18325
33 1 6 "Average Difference" C 82 1.095 -0.236 1.076 18325
34 1 6 "Average Difference" CA 85 1.574 -0.199 1.571 18325
35 1 6 "Average Difference" CB 80 2.339 -0.529 2.293 18325
36 1 6 "Average Difference" HN 81 0.521 -0.046 0.522 18325
37 1 7 "Average Difference" N 81 3.336 0.376 3.336 18325
38 1 7 "Average Difference" HA 90 0.284 -0.048 0.282 18325
39 1 7 "Average Difference" C 82 1.127 -0.088 1.131 18325
40 1 7 "Average Difference" CA 85 1.664 -0.121 1.670 18325
41 1 7 "Average Difference" CB 80 2.257 -0.646 2.176 18325
42 1 7 "Average Difference" HN 81 0.540 -0.002 0.543 18325
43 1 8 "Average Difference" N 81 2.856 0.232 2.865 18325
44 1 8 "Average Difference" HA 90 0.320 -0.013 0.322 18325
45 1 8 "Average Difference" C 82 1.077 -0.154 1.073 18325
46 1 8 "Average Difference" CA 85 1.501 -0.127 1.504 18325
47 1 8 "Average Difference" CB 80 2.234 -0.575 2.172 18325
48 1 8 "Average Difference" HN 81 0.486 -0.021 0.489 18325
49 1 9 "Average Difference" N 81 3.333 0.378 3.332 18325
50 1 9 "Average Difference" HA 90 0.286 -0.013 0.288 18325
51 1 9 "Average Difference" C 82 1.040 -0.045 1.046 18325
52 1 9 "Average Difference" CA 85 1.479 -0.240 1.468 18325
53 1 9 "Average Difference" CB 80 2.213 -0.645 2.130 18325
54 1 9 "Average Difference" HN 81 0.489 -0.029 0.491 18325
55 1 10 "Average Difference" N 81 3.310 0.495 3.293 18325
56 1 10 "Average Difference" HA 90 0.292 -0.009 0.293 18325
57 1 10 "Average Difference" C 82 1.083 -0.198 1.072 18325
58 1 10 "Average Difference" CA 85 1.564 -0.117 1.569 18325
59 1 10 "Average Difference" CB 80 2.466 -0.531 2.424 18325
60 1 10 "Average Difference" HN 81 0.514 -0.028 0.516 18325
61 1 11 "Average Difference" N 81 3.127 0.168 3.142 18325
62 1 11 "Average Difference" HA 90 0.296 -0.021 0.297 18325
63 1 11 "Average Difference" C 82 1.080 -0.140 1.077 18325
64 1 11 "Average Difference" CA 85 1.482 -0.114 1.486 18325
65 1 11 "Average Difference" CB 80 2.262 -0.492 2.221 18325
66 1 11 "Average Difference" HN 81 0.514 -0.040 0.515 18325
67 1 12 "Average Difference" N 81 3.492 0.367 3.495 18325
68 1 12 "Average Difference" HA 90 0.298 -0.026 0.298 18325
69 1 12 "Average Difference" C 82 1.073 -0.107 1.074 18325
70 1 12 "Average Difference" CA 85 1.599 -0.073 1.607 18325
71 1 12 "Average Difference" CB 80 2.306 -0.526 2.260 18325
72 1 12 "Average Difference" HN 81 0.561 0.006 0.564 18325
73 1 13 "Average Difference" N 81 3.366 0.506 3.348 18325
74 1 13 "Average Difference" HA 90 0.259 -0.026 0.259 18325
75 1 13 "Average Difference" C 82 1.080 -0.143 1.077 18325
76 1 13 "Average Difference" CA 85 1.523 -0.150 1.524 18325
77 1 13 "Average Difference" CB 80 2.141 -0.512 2.092 18325
78 1 13 "Average Difference" HN 81 0.501 -0.008 0.505 18325
79 1 14 "Average Difference" N 81 2.833 -0.046 2.850 18325
80 1 14 "Average Difference" HA 90 0.282 -0.003 0.284 18325
81 1 14 "Average Difference" C 82 1.066 -0.085 1.069 18325
82 1 14 "Average Difference" CA 85 1.602 -0.199 1.599 18325
83 1 14 "Average Difference" CB 80 2.338 -0.541 2.289 18325
84 1 14 "Average Difference" HN 81 0.509 0.014 0.512 18325
85 1 15 "Average Difference" N 81 3.534 -0.041 3.556 18325
86 1 15 "Average Difference" HA 90 0.316 -0.005 0.317 18325
87 1 15 "Average Difference" C 82 1.079 -0.115 1.080 18325
88 1 15 "Average Difference" CA 85 1.706 -0.231 1.700 18325
89 1 15 "Average Difference" CB 80 2.196 -0.583 2.131 18325
90 1 15 "Average Difference" HN 81 0.548 -0.032 0.550 18325
91 1 16 "Average Difference" N 81 3.543 0.460 3.535 18325
92 1 16 "Average Difference" HA 90 0.266 -0.007 0.268 18325
93 1 16 "Average Difference" C 82 1.081 -0.166 1.074 18325
94 1 16 "Average Difference" CA 85 1.549 -0.137 1.552 18325
95 1 16 "Average Difference" CB 80 2.282 -0.602 2.215 18325
96 1 16 "Average Difference" HN 81 0.529 0.005 0.532 18325
97 1 17 "Average Difference" N 81 3.408 0.526 3.388 18325
98 1 17 "Average Difference" HA 90 0.305 -0.021 0.305 18325
99 1 17 "Average Difference" C 82 1.060 -0.191 1.049 18325
100 1 17 "Average Difference" CA 85 1.410 -0.229 1.400 18325
101 1 17 "Average Difference" CB 80 2.225 -0.606 2.155 18325
102 1 17 "Average Difference" HN 81 0.540 -0.037 0.542 18325
103 1 18 "Average Difference" N 81 3.020 0.179 3.033 18325
104 1 18 "Average Difference" HA 90 0.273 -0.004 0.275 18325
105 1 18 "Average Difference" C 82 1.031 -0.121 1.031 18325
106 1 18 "Average Difference" CA 85 1.562 -0.132 1.565 18325
107 1 18 "Average Difference" CB 80 2.219 -0.459 2.185 18325
108 1 18 "Average Difference" HN 81 0.566 0.027 0.568 18325
109 1 19 "Average Difference" N 81 2.888 0.183 2.900 18325
110 1 19 "Average Difference" HA 90 0.268 -0.007 0.270 18325
111 1 19 "Average Difference" C 82 1.000 -0.057 1.005 18325
112 1 19 "Average Difference" CA 85 1.483 -0.166 1.482 18325
113 1 19 "Average Difference" CB 80 2.590 -0.653 2.522 18325
114 1 19 "Average Difference" HN 81 0.494 -0.022 0.497 18325
115 1 20 "Average Difference" N 81 3.285 0.466 3.272 18325
116 1 20 "Average Difference" HA 90 0.289 -0.002 0.291 18325
117 1 20 "Average Difference" C 82 1.044 -0.133 1.042 18325
118 1 20 "Average Difference" CA 85 1.613 -0.157 1.615 18325
119 1 20 "Average Difference" CB 80 2.378 -0.525 2.334 18325
120 1 20 "Average Difference" HN 81 0.500 0.016 0.503 18325
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 18325
_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 VAL HA H 2 4.195 4.195 4.217 -0.022 18325
2 1 . 1 1 2 2 VAL C C 2 175.805 175.805 175.589 0.216 18325
3 1 . 1 1 2 2 VAL CA C 2 62.388 62.388 62.605 -0.216 18325
4 1 . 1 1 2 2 VAL CB C 2 32.777 32.777 32.112 0.665 18325
5 1 . 1 1 3 3 THR N N 3 119.229 119.229 117.623 1.606 18325
6 1 . 1 1 3 3 THR HA H 3 4.259 4.259 4.288 -0.029 18325
7 1 . 1 1 3 3 THR C C 3 173.761 173.761 173.868 -0.107 18325
8 1 . 1 1 3 3 THR CA C 3 61.673 61.673 62.625 -0.952 18325
9 1 . 1 1 3 3 THR CB C 3 69.846 69.846 69.164 0.682 18325
10 1 . 1 1 3 3 THR H H 3 8.256 8.256 8.149 0.107 18325
11 1 . 1 1 4 4 ALA N N 4 126.635 126.635 126.364 0.271 18325
12 1 . 1 1 4 4 ALA HA H 4 4.154 4.154 4.562 -0.408 18325
13 1 . 1 1 4 4 ALA C C 4 177.002 177.002 176.587 0.415 18325
14 1 . 1 1 4 4 ALA CA C 4 52.159 52.159 51.317 0.842 18325
15 1 . 1 1 4 4 ALA CB C 4 19.512 19.512 19.769 -0.257 18325
16 1 . 1 1 4 4 ALA H H 4 8.367 8.367 8.147 0.220 18325
17 1 . 1 1 5 5 ALA N N 5 123.621 123.621 124.663 -1.042 18325
18 1 . 1 1 5 5 ALA HA H 5 4.267 4.267 4.365 -0.098 18325
19 1 . 1 1 5 5 ALA C C 5 176.288 176.288 176.514 -0.226 18325
20 1 . 1 1 5 5 ALA CA C 5 52.894 52.894 52.723 0.171 18325
21 1 . 1 1 5 5 ALA CB C 5 19.494 19.494 19.631 -0.137 18325
22 1 . 1 1 5 5 ALA H H 5 8.374 8.374 8.485 -0.111 18325
23 1 . 1 1 6 6 LEU N N 6 115.731 115.731 116.837 -1.106 18325
24 1 . 1 1 6 6 LEU HA H 6 4.648 4.648 4.859 -0.211 18325
25 1 . 1 1 6 6 LEU C C 6 175.007 175.007 175.286 -0.279 18325
26 1 . 1 1 6 6 LEU CA C 6 54.263 54.263 53.527 0.736 18325
27 1 . 1 1 6 6 LEU CB C 6 44.224 44.224 44.121 0.103 18325
28 1 . 1 1 6 6 LEU H H 6 7.478 7.478 7.483 -0.006 18325
29 1 . 1 1 7 7 THR N N 7 119.383 119.383 121.613 -2.230 18325
30 1 . 1 1 7 7 THR HA H 7 4.906 4.906 4.977 -0.071 18325
31 1 . 1 1 7 7 THR C C 7 172.657 172.657 173.523 -0.866 18325
32 1 . 1 1 7 7 THR CA C 7 61.586 61.586 62.046 -0.460 18325
33 1 . 1 1 7 7 THR CB C 7 70.917 70.917 69.339 1.578 18325
34 1 . 1 1 7 7 THR H H 7 8.342 8.342 8.797 -0.455 18325
35 1 . 1 1 8 8 ILE N N 8 124.711 124.711 126.822 -2.111 18325
36 1 . 1 1 8 8 ILE HA H 8 4.575 4.575 4.586 -0.010 18325
37 1 . 1 1 8 8 ILE C C 8 172.650 172.650 174.493 -1.843 18325
38 1 . 1 1 8 8 ILE CA C 8 59.206 59.206 59.898 -0.692 18325
39 1 . 1 1 8 8 ILE CB C 8 40.150 40.150 40.773 -0.623 18325
40 1 . 1 1 8 8 ILE H H 8 9.050 9.050 9.051 -0.001 18325
41 1 . 1 1 9 9 TYR N N 9 128.517 128.517 127.333 1.184 18325
42 1 . 1 1 9 9 TYR HA H 9 5.425 5.425 4.657 0.768 18325
43 1 . 1 1 9 9 TYR C C 9 176.445 176.445 174.870 1.575 18325
44 1 . 1 1 9 9 TYR CA C 9 57.397 57.397 58.255 -0.858 18325
45 1 . 1 1 9 9 TYR CB C 9 39.232 39.232 38.523 0.709 18325
46 1 . 1 1 9 9 TYR H H 9 9.094 9.094 8.948 0.146 18325
47 1 . 1 1 10 10 THR N N 10 112.214 112.214 114.055 -1.841 18325
48 1 . 1 1 10 10 THR HA H 10 4.778 4.778 4.639 0.139 18325
49 1 . 1 1 10 10 THR C C 10 173.410 173.410 173.145 0.265 18325
50 1 . 1 1 10 10 THR CA C 10 59.893 59.893 60.012 -0.119 18325
51 1 . 1 1 10 10 THR CB C 10 72.063 72.063 71.680 0.383 18325
52 1 . 1 1 10 10 THR H H 10 8.824 8.824 8.163 0.661 18325
53 1 . 1 1 11 11 THR N N 11 103.866 103.866 113.139 -9.273 18325
54 1 . 1 1 11 11 THR HA H 11 4.585 4.585 4.494 0.091 18325
55 1 . 1 1 11 11 THR C C 11 176.335 176.335 174.704 1.631 18325
56 1 . 1 1 11 11 THR CA C 11 60.389 60.389 60.371 0.018 18325
57 1 . 1 1 11 11 THR CB C 11 72.584 72.584 71.309 1.275 18325
58 1 . 1 1 11 11 THR H H 11 6.667 6.667 7.985 -1.318 18325
59 1 . 1 1 12 12 SER N N 12 116.991 116.991 117.078 -0.087 18325
60 1 . 1 1 12 12 SER HA H 12 4.134 4.134 4.411 -0.277 18325
61 1 . 1 1 12 12 SER C C 12 174.863 174.863 174.993 -0.130 18325
62 1 . 1 1 12 12 SER CA C 12 61.183 61.183 60.543 0.640 18325
63 1 . 1 1 12 12 SER CB C 12 62.845 62.845 63.338 -0.493 18325
64 1 . 1 1 12 12 SER H H 12 9.561 9.561 9.147 0.414 18325
65 1 . 1 1 13 13 TRP N N 13 117.675 117.675 121.109 -3.434 18325
66 1 . 1 1 13 13 TRP HA H 13 4.775 4.775 4.731 0.044 18325
67 1 . 1 1 13 13 TRP C C 13 175.144 175.144 175.500 -0.356 18325
68 1 . 1 1 13 13 TRP CA C 13 54.555 54.555 55.955 -1.400 18325
69 1 . 1 1 13 13 TRP CB C 13 28.292 28.292 28.399 -0.107 18325
70 1 . 1 1 13 13 TRP H H 13 6.996 6.996 7.486 -0.490 18325
71 1 . 1 1 14 14 CYS N N 14 120.513 120.513 121.352 -0.839 18325
72 1 . 1 1 14 14 CYS HA H 14 4.498 4.498 4.783 -0.285 18325
73 1 . 1 1 14 14 CYS CA C 14 53.859 53.859 58.270 -4.411 18325
74 1 . 1 1 14 14 CYS CB C 14 44.419 44.419 29.405 15.014 18325
75 1 . 1 1 14 14 CYS H H 14 6.755 6.755 7.906 -1.151 18325
76 1 . 1 1 16 16 TYR HA H 16 4.377 4.377 4.369 0.008 18325
77 1 . 1 1 16 16 TYR C C 16 177.495 177.495 177.170 0.325 18325
78 1 . 1 1 16 16 TYR CA C 16 60.662 60.662 59.526 1.136 18325
79 1 . 1 1 16 16 TYR CB C 16 37.852 37.852 37.660 0.192 18325
80 1 . 1 1 17 17 CYS N N 17 114.160 114.160 116.984 -2.824 18325
81 1 . 1 1 17 17 CYS HA H 17 3.923 3.923 4.062 -0.139 18325
82 1 . 1 1 17 17 CYS C C 17 174.680 174.680 176.618 -1.938 18325
83 1 . 1 1 17 17 CYS CA C 17 65.302 65.302 61.231 4.071 18325
84 1 . 1 1 17 17 CYS CB C 17 33.986 33.986 26.051 7.935 18325
85 1 . 1 1 17 17 CYS H H 17 8.495 8.495 8.041 0.454 18325
86 1 . 1 1 18 18 LEU N N 18 119.295 119.295 121.677 -2.382 18325
87 1 . 1 1 18 18 LEU HA H 18 4.031 4.031 3.986 0.045 18325
88 1 . 1 1 18 18 LEU C C 18 179.001 179.001 178.638 0.363 18325
89 1 . 1 1 18 18 LEU CA C 18 58.234 58.234 57.682 0.552 18325
90 1 . 1 1 18 18 LEU CB C 18 41.205 41.205 41.369 -0.164 18325
91 1 . 1 1 18 18 LEU H H 18 7.311 7.311 7.697 -0.386 18325
92 1 . 1 1 19 19 ARG N N 19 119.771 119.771 119.257 0.514 18325
93 1 . 1 1 19 19 ARG HA H 19 3.998 3.998 3.986 0.012 18325
94 1 . 1 1 19 19 ARG C C 19 178.949 178.949 178.653 0.296 18325
95 1 . 1 1 19 19 ARG CA C 19 59.597 59.597 59.022 0.575 18325
96 1 . 1 1 19 19 ARG CB C 19 30.006 30.006 29.572 0.434 18325
97 1 . 1 1 19 19 ARG H H 19 7.469 7.469 7.571 -0.102 18325
98 1 . 1 1 20 20 LEU N N 20 120.802 120.802 120.009 0.793 18325
99 1 . 1 1 20 20 LEU HA H 20 4.097 4.097 4.095 0.002 18325
100 1 . 1 1 20 20 LEU C C 20 177.928 177.928 177.889 0.039 18325
101 1 . 1 1 20 20 LEU CA C 20 57.757 57.757 57.511 0.246 18325
102 1 . 1 1 20 20 LEU CB C 20 40.940 40.940 41.786 -0.846 18325
103 1 . 1 1 20 20 LEU H H 20 8.150 8.150 7.522 0.628 18325
104 1 . 1 1 21 21 LYS N N 21 117.910 117.910 119.314 -1.404 18325
105 1 . 1 1 21 21 LYS HA H 21 3.280 3.280 3.607 -0.327 18325
106 1 . 1 1 21 21 LYS C C 21 178.851 178.851 178.856 -0.005 18325
107 1 . 1 1 21 21 LYS CA C 21 61.353 61.353 60.109 1.245 18325
108 1 . 1 1 21 21 LYS CB C 21 31.698 31.698 32.163 -0.465 18325
109 1 . 1 1 21 21 LYS H H 21 7.854 7.854 8.192 -0.338 18325
110 1 . 1 1 22 22 THR N N 22 115.451 115.451 113.698 1.753 18325
111 1 . 1 1 22 22 THR HA H 22 3.889 3.889 4.114 -0.225 18325
112 1 . 1 1 22 22 THR C C 22 176.571 176.571 176.149 0.422 18325
113 1 . 1 1 22 22 THR CA C 22 66.849 66.849 66.006 0.843 18325
114 1 . 1 1 22 22 THR CB C 22 68.793 68.793 68.491 0.302 18325
115 1 . 1 1 22 22 THR H H 22 8.125 8.125 8.175 -0.050 18325
116 1 . 1 1 23 23 ALA N N 23 125.218 125.218 124.617 0.601 18325
117 1 . 1 1 23 23 ALA HA H 23 4.274 4.274 4.107 0.167 18325
118 1 . 1 1 23 23 ALA C C 23 180.948 180.948 179.681 1.267 18325
119 1 . 1 1 23 23 ALA CA C 23 55.003 55.003 55.004 -0.001 18325
120 1 . 1 1 23 23 ALA CB C 23 18.842 18.842 18.142 0.700 18325
121 1 . 1 1 23 23 ALA H H 23 7.892 7.892 7.510 0.382 18325
122 1 . 1 1 24 24 LEU N N 24 120.007 120.007 117.867 2.140 18325
123 1 . 1 1 24 24 LEU HA H 24 4.018 4.018 3.953 0.065 18325
124 1 . 1 1 24 24 LEU C C 24 179.738 179.738 179.341 0.397 18325
125 1 . 1 1 24 24 LEU CA C 24 58.807 58.807 57.844 0.963 18325
126 1 . 1 1 24 24 LEU CB C 24 39.814 39.814 41.578 -1.764 18325
127 1 . 1 1 24 24 LEU H H 24 8.775 8.775 8.439 0.336 18325
128 1 . 1 1 25 25 THR N N 25 118.777 118.777 115.841 2.936 18325
129 1 . 1 1 25 25 THR HA H 25 4.175 4.175 4.144 0.031 18325
130 1 . 1 1 25 25 THR C C 25 178.539 178.539 177.032 1.507 18325
131 1 . 1 1 25 25 THR CA C 25 67.138 67.138 66.573 0.565 18325
132 1 . 1 1 25 25 THR CB C 25 68.679 68.679 68.615 0.064 18325
133 1 . 1 1 25 25 THR H H 25 8.636 8.636 8.090 0.546 18325
134 1 . 1 1 26 26 ALA N N 26 126.122 126.122 123.435 2.687 18325
135 1 . 1 1 26 26 ALA HA H 26 4.188 4.188 4.231 -0.043 18325
136 1 . 1 1 26 26 ALA C C 26 178.536 178.536 178.441 0.095 18325
137 1 . 1 1 26 26 ALA CA C 26 55.134 55.134 54.356 0.778 18325
138 1 . 1 1 26 26 ALA CB C 26 17.887 17.887 18.318 -0.431 18325
139 1 . 1 1 26 26 ALA H H 26 8.357 8.357 8.134 0.223 18325
140 1 . 1 1 27 27 ASN N N 27 114.755 114.755 115.132 -0.377 18325
141 1 . 1 1 27 27 ASN HA H 27 4.697 4.697 4.781 -0.084 18325
142 1 . 1 1 27 27 ASN C C 27 172.751 172.751 174.696 -1.945 18325
143 1 . 1 1 27 27 ASN CA C 27 53.712 53.712 53.062 0.649 18325
144 1 . 1 1 27 27 ASN CB C 27 40.648 40.648 39.185 1.463 18325
145 1 . 1 1 27 27 ASN H H 27 7.456 7.456 7.707 -0.251 18325
146 1 . 1 1 28 28 ARG N N 28 115.444 115.444 115.822 -0.378 18325
147 1 . 1 1 28 28 ARG HA H 28 3.934 3.934 3.942 -0.008 18325
148 1 . 1 1 28 28 ARG C C 28 175.075 175.075 174.804 0.271 18325
149 1 . 1 1 28 28 ARG CA C 28 57.091 57.091 57.190 -0.099 18325
150 1 . 1 1 28 28 ARG CB C 28 26.393 26.393 27.479 -1.086 18325
151 1 . 1 1 28 28 ARG H H 28 8.183 8.183 7.658 0.525 18325
152 1 . 1 1 29 29 ILE N N 29 120.976 120.976 120.307 0.669 18325
153 1 . 1 1 29 29 ILE HA H 29 4.079 4.079 4.199 -0.120 18325
154 1 . 1 1 29 29 ILE C C 29 175.050 175.050 174.826 0.224 18325
155 1 . 1 1 29 29 ILE CA C 29 60.664 60.664 60.964 -0.300 18325
156 1 . 1 1 29 29 ILE CB C 29 38.695 38.695 38.532 0.163 18325
157 1 . 1 1 29 29 ILE H H 29 8.004 8.004 8.234 -0.230 18325
158 1 . 1 1 30 30 ALA N N 30 131.099 131.099 131.361 -0.262 18325
159 1 . 1 1 30 30 ALA HA H 30 4.168 4.168 4.437 -0.269 18325
160 1 . 1 1 30 30 ALA C C 30 176.360 176.360 175.726 0.634 18325
161 1 . 1 1 30 30 ALA CA C 30 51.819 51.819 51.497 0.322 18325
162 1 . 1 1 30 30 ALA CB C 30 19.641 19.641 19.878 -0.237 18325
163 1 . 1 1 30 30 ALA H H 30 8.329 8.329 8.501 -0.172 18325
164 1 . 1 1 31 31 TYR N N 31 114.363 114.363 119.110 -4.747 18325
165 1 . 1 1 31 31 TYR HA H 31 5.133 5.133 5.122 0.011 18325
166 1 . 1 1 31 31 TYR C C 31 173.470 173.470 173.732 -0.262 18325
167 1 . 1 1 31 31 TYR CA C 31 55.522 55.522 55.199 0.323 18325
168 1 . 1 1 31 31 TYR CB C 31 41.184 41.184 40.780 0.404 18325
169 1 . 1 1 31 31 TYR H H 31 7.509 7.509 7.681 -0.172 18325
170 1 . 1 1 32 32 ASP N N 32 120.754 120.754 121.848 -1.094 18325
171 1 . 1 1 32 32 ASP HA H 32 4.926 4.926 4.894 0.032 18325
172 1 . 1 1 32 32 ASP C C 32 174.611 174.611 175.041 -0.430 18325
173 1 . 1 1 32 32 ASP CA C 32 52.875 52.875 52.868 0.007 18325
174 1 . 1 1 32 32 ASP CB C 32 42.843 42.843 43.588 -0.745 18325
175 1 . 1 1 32 32 ASP H H 32 8.517 8.517 8.770 -0.253 18325
176 1 . 1 1 33 33 GLU N N 33 124.650 124.650 122.688 1.962 18325
177 1 . 1 1 33 33 GLU HA H 33 5.205 5.205 5.247 -0.042 18325
178 1 . 1 1 33 33 GLU C C 33 175.049 175.049 175.934 -0.885 18325
179 1 . 1 1 33 33 GLU CA C 33 54.489 54.489 54.819 -0.330 18325
180 1 . 1 1 33 33 GLU CB C 33 32.425 32.425 31.259 1.165 18325
181 1 . 1 1 33 33 GLU H H 33 8.836 8.836 8.522 0.314 18325
182 1 . 1 1 34 34 VAL N N 34 128.112 128.112 122.665 5.447 18325
183 1 . 1 1 34 34 VAL HA H 34 4.062 4.062 4.065 -0.003 18325
184 1 . 1 1 34 34 VAL C C 34 173.620 173.620 176.792 -3.172 18325
185 1 . 1 1 34 34 VAL CA C 34 61.427 61.427 61.520 -0.093 18325
186 1 . 1 1 34 34 VAL CB C 34 34.690 34.690 32.733 1.957 18325
187 1 . 1 1 34 34 VAL H H 34 8.615 8.615 8.295 0.320 18325
188 1 . 1 1 35 35 ASP N N 35 127.319 127.319 124.072 3.247 18325
189 1 . 1 1 35 35 ASP HA H 35 4.937 4.937 4.387 0.550 18325
190 1 . 1 1 35 35 ASP C C 35 179.260 179.260 177.869 1.392 18325
191 1 . 1 1 35 35 ASP CA C 35 61.428 61.428 56.424 5.004 18325
192 1 . 1 1 35 35 ASP CB C 35 41.858 41.858 40.522 1.336 18325
193 1 . 1 1 35 35 ASP H H 35 8.458 8.458 8.811 -0.353 18325
194 1 . 1 1 36 36 ILE N N 36 119.537 119.537 115.807 3.730 18325
195 1 . 1 1 36 36 ILE HA H 36 4.360 4.360 4.027 0.333 18325
196 1 . 1 1 36 36 ILE C C 36 176.943 176.943 177.113 -0.170 18325
197 1 . 1 1 36 36 ILE CA C 36 63.681 63.681 63.685 -0.004 18325
198 1 . 1 1 36 36 ILE CB C 36 37.637 37.637 37.327 0.310 18325
199 1 . 1 1 36 36 ILE H H 36 8.833 8.833 7.777 1.056 18325
200 1 . 1 1 37 37 GLU N N 37 122.074 122.074 119.147 2.927 18325
201 1 . 1 1 37 37 GLU HA H 37 4.131 4.131 3.888 0.243 18325
202 1 . 1 1 37 37 GLU C C 37 177.224 177.224 177.560 -0.336 18325
203 1 . 1 1 37 37 GLU CA C 37 58.503 58.503 58.652 -0.149 18325
204 1 . 1 1 37 37 GLU CB C 37 29.312 29.312 29.458 -0.146 18325
205 1 . 1 1 37 37 GLU H H 37 8.815 8.815 8.346 0.469 18325
206 1 . 1 1 38 38 HIS N N 38 114.611 114.611 115.440 -0.829 18325
207 1 . 1 1 38 38 HIS HA H 38 4.846 4.846 4.753 0.093 18325
208 1 . 1 1 38 38 HIS C C 38 174.168 174.168 174.763 -0.595 18325
209 1 . 1 1 38 38 HIS CA C 38 55.189 55.189 56.462 -1.273 18325
210 1 . 1 1 38 38 HIS CB C 38 30.936 30.936 31.383 -0.447 18325
211 1 . 1 1 38 38 HIS H H 38 7.661 7.661 8.131 -0.470 18325
212 1 . 1 1 39 39 ASN N N 39 117.944 117.944 119.121 -1.177 18325
213 1 . 1 1 39 39 ASN HA H 39 4.900 4.900 4.820 0.080 18325
214 1 . 1 1 39 39 ASN C C 39 173.626 173.626 175.848 -2.222 18325
215 1 . 1 1 39 39 ASN CA C 39 52.634 52.634 52.196 0.438 18325
216 1 . 1 1 39 39 ASN CB C 39 39.436 39.436 39.054 0.382 18325
217 1 . 1 1 39 39 ASN H H 39 7.095 7.095 8.000 -0.905 18325
218 1 . 1 1 40 40 ARG N N 40 126.603 126.603 126.478 0.125 18325
219 1 . 1 1 40 40 ARG HA H 40 4.142 4.142 4.178 -0.036 18325
220 1 . 1 1 40 40 ARG C C 40 178.292 178.292 177.165 1.127 18325
221 1 . 1 1 40 40 ARG CA C 40 59.371 59.371 58.858 0.513 18325
222 1 . 1 1 40 40 ARG CB C 40 29.919 29.919 29.638 0.281 18325
223 1 . 1 1 40 40 ARG H H 40 8.750 8.750 8.570 0.180 18325
224 1 . 1 1 41 41 ALA N N 41 122.148 122.148 122.591 -0.443 18325
225 1 . 1 1 41 41 ALA HA H 41 4.202 4.202 4.171 0.031 18325
226 1 . 1 1 41 41 ALA C C 41 181.236 181.236 179.254 1.982 18325
227 1 . 1 1 41 41 ALA CA C 41 55.076 55.076 54.770 0.307 18325
228 1 . 1 1 41 41 ALA CB C 41 17.795 17.795 18.071 -0.276 18325
229 1 . 1 1 41 41 ALA H H 41 8.460 8.460 8.188 0.272 18325
230 1 . 1 1 42 42 ALA N N 42 122.394 122.394 119.368 3.027 18325
231 1 . 1 1 42 42 ALA HA H 42 4.224 4.224 4.209 0.015 18325
232 1 . 1 1 42 42 ALA C C 42 178.949 178.949 178.945 0.004 18325
233 1 . 1 1 42 42 ALA CA C 42 54.423 54.423 53.921 0.502 18325
234 1 . 1 1 42 42 ALA CB C 42 19.786 19.786 18.659 1.127 18325
235 1 . 1 1 42 42 ALA H H 42 7.973 7.973 8.021 -0.048 18325
236 1 . 1 1 43 43 ALA N N 43 120.965 120.965 121.947 -0.982 18325
237 1 . 1 1 43 43 ALA HA H 43 3.788 3.788 4.092 -0.304 18325
238 1 . 1 1 43 43 ALA C C 43 179.994 179.994 179.666 0.328 18325
239 1 . 1 1 43 43 ALA CA C 43 56.189 56.189 55.041 1.148 18325
240 1 . 1 1 43 43 ALA CB C 43 18.033 18.033 18.315 -0.282 18325
241 1 . 1 1 43 43 ALA H H 43 8.170 8.170 7.667 0.503 18325
242 1 . 1 1 44 44 GLU N N 44 117.052 117.052 118.843 -1.791 18325
243 1 . 1 1 44 44 GLU HA H 44 3.953 3.953 4.092 -0.139 18325
244 1 . 1 1 44 44 GLU C C 44 179.698 179.698 178.651 1.047 18325
245 1 . 1 1 44 44 GLU CA C 44 58.934 58.934 58.751 0.183 18325
246 1 . 1 1 44 44 GLU CB C 44 29.126 29.126 29.405 -0.279 18325
247 1 . 1 1 44 44 GLU H H 44 8.240 8.240 8.256 -0.016 18325
248 1 . 1 1 45 45 PHE N N 45 122.282 122.282 120.466 1.816 18325
249 1 . 1 1 45 45 PHE HA H 45 4.232 4.232 4.268 -0.036 18325
250 1 . 1 1 45 45 PHE C C 45 177.994 177.994 176.901 1.093 18325
251 1 . 1 1 45 45 PHE CA C 45 61.170 61.170 60.854 0.316 18325
252 1 . 1 1 45 45 PHE CB C 45 38.225 38.225 39.094 -0.869 18325
253 1 . 1 1 45 45 PHE H H 45 8.068 8.068 7.531 0.537 18325
254 1 . 1 1 46 46 VAL N N 46 120.442 120.442 118.570 1.872 18325
255 1 . 1 1 46 46 VAL HA H 46 2.908 2.908 3.209 -0.301 18325
256 1 . 1 1 46 46 VAL C C 46 178.852 178.852 177.918 0.934 18325
257 1 . 1 1 46 46 VAL CA C 46 67.186 67.186 66.409 0.776 18325
258 1 . 1 1 46 46 VAL CB C 46 31.143 31.143 30.905 0.238 18325
259 1 . 1 1 46 46 VAL H H 46 8.363 8.363 7.619 0.744 18325
260 1 . 1 1 47 47 GLY N N 47 105.864 105.864 106.036 -0.172 18325
261 1 . 1 1 47 47 GLY C C 47 176.759 176.759 175.695 1.064 18325
262 1 . 1 1 47 47 GLY CA C 47 46.690 46.690 47.010 -0.320 18325
263 1 . 1 1 47 47 GLY H H 47 8.187 8.187 7.779 0.408 18325
264 1 . 1 1 48 48 SER N N 48 118.796 118.796 116.484 2.312 18325
265 1 . 1 1 48 48 SER HA H 48 4.201 4.201 4.245 -0.044 18325
266 1 . 1 1 48 48 SER C C 48 176.571 176.571 176.042 0.529 18325
267 1 . 1 1 48 48 SER CA C 48 61.440 61.440 60.790 0.650 18325
268 1 . 1 1 48 48 SER CB C 48 62.661 62.661 63.156 -0.495 18325
269 1 . 1 1 48 48 SER H H 48 8.045 8.045 7.537 0.508 18325
270 1 . 1 1 49 49 VAL N N 49 114.967 114.967 116.656 -1.689 18325
271 1 . 1 1 49 49 VAL HA H 49 4.356 4.356 3.835 0.521 18325
272 1 . 1 1 49 49 VAL C C 49 175.807 175.807 175.884 -0.077 18325
273 1 . 1 1 49 49 VAL CA C 49 62.064 62.064 63.248 -1.184 18325
274 1 . 1 1 49 49 VAL CB C 49 31.110 31.110 31.669 -0.559 18325
275 1 . 1 1 49 49 VAL H H 49 7.040 7.040 7.435 -0.395 18325
276 1 . 1 1 50 50 ASN N N 50 119.765 119.765 117.836 1.929 18325
277 1 . 1 1 50 50 ASN HA H 50 5.134 5.134 4.729 0.405 18325
278 1 . 1 1 50 50 ASN C C 50 176.473 176.473 175.117 1.356 18325
279 1 . 1 1 50 50 ASN CA C 50 53.454 53.454 53.157 0.296 18325
280 1 . 1 1 50 50 ASN CB C 50 40.815 40.815 40.246 0.569 18325
281 1 . 1 1 50 50 ASN H H 50 7.364 7.364 7.721 -0.357 18325
282 1 . 1 1 51 51 GLY N N 51 110.407 110.407 107.550 2.857 18325
283 1 . 1 1 51 51 GLY C C 51 174.967 174.967 174.589 0.378 18325
284 1 . 1 1 51 51 GLY CA C 51 47.543 47.543 44.922 2.621 18325
285 1 . 1 1 51 51 GLY H H 51 8.546 8.546 8.359 0.187 18325
286 1 . 1 1 52 52 GLY N N 52 106.482 106.482 111.216 -4.734 18325
287 1 . 1 1 52 52 GLY C C 52 174.134 174.134 174.355 -0.221 18325
288 1 . 1 1 52 52 GLY CA C 52 44.424 44.424 45.319 -0.896 18325
289 1 . 1 1 52 52 GLY H H 52 8.810 8.810 8.490 0.320 18325
290 1 . 1 1 53 53 ASN N N 53 119.129 119.129 120.959 -1.830 18325
291 1 . 1 1 53 53 ASN HA H 53 4.738 4.738 4.800 -0.062 18325
292 1 . 1 1 53 53 ASN C C 53 174.828 174.828 174.488 0.340 18325
293 1 . 1 1 53 53 ASN CA C 53 52.654 52.654 52.257 0.397 18325
294 1 . 1 1 53 53 ASN CB C 53 40.237 40.237 39.691 0.546 18325
295 1 . 1 1 53 53 ASN H H 53 7.330 7.330 8.173 -0.843 18325
296 1 . 1 1 54 54 ARG N N 54 125.094 125.094 123.799 1.295 18325
297 1 . 1 1 54 54 ARG HA H 54 4.134 4.134 4.377 -0.243 18325
298 1 . 1 1 54 54 ARG C C 54 174.863 174.863 175.561 -0.698 18325
299 1 . 1 1 54 54 ARG CA C 54 55.132 55.132 56.050 -0.918 18325
300 1 . 1 1 54 54 ARG CB C 54 27.409 27.409 30.038 -2.629 18325
301 1 . 1 1 54 54 ARG H H 54 8.826 8.826 8.581 0.245 18325
302 1 . 1 1 55 55 THR N N 55 117.920 117.920 120.754 -2.834 18325
303 1 . 1 1 55 55 THR HA H 55 4.020 4.020 4.395 -0.375 18325
304 1 . 1 1 55 55 THR C C 55 172.459 172.459 175.270 -2.811 18325
305 1 . 1 1 55 55 THR CA C 55 63.451 63.451 62.649 0.802 18325
306 1 . 1 1 55 55 THR CB C 55 69.158 69.158 69.758 -0.600 18325
307 1 . 1 1 55 55 THR H H 55 6.994 6.994 8.456 -1.462 18325
308 1 . 1 1 56 56 VAL N N 56 117.300 117.300 125.169 -7.869 18325
309 1 . 1 1 56 56 VAL HA H 56 4.735 4.735 4.068 0.667 18325
310 1 . 1 1 56 56 VAL CA C 56 56.872 56.872 65.666 -8.794 18325
311 1 . 1 1 56 56 VAL CB C 56 34.378 34.378 29.868 4.510 18325
312 1 . 1 1 56 56 VAL H H 56 8.172 8.172 8.726 -0.554 18325
313 1 . 1 1 57 57 PRO HA H 57 5.350 5.350 4.868 0.482 18325
314 1 . 1 1 57 57 PRO C C 57 176.879 176.879 175.822 1.057 18325
315 1 . 1 1 57 57 PRO CA C 57 62.246 62.246 62.398 -0.152 18325
316 1 . 1 1 57 57 PRO CB C 57 34.293 34.293 29.774 4.519 18325
317 1 . 1 1 58 58 THR N N 58 120.440 120.440 119.819 0.621 18325
318 1 . 1 1 58 58 THR HA H 58 5.042 5.042 4.968 0.074 18325
319 1 . 1 1 58 58 THR C C 58 172.321 172.321 173.149 -0.828 18325
320 1 . 1 1 58 58 THR CA C 58 63.449 63.449 62.387 1.062 18325
321 1 . 1 1 58 58 THR CB C 58 71.892 71.892 70.959 0.933 18325
322 1 . 1 1 58 58 THR H H 58 7.948 7.948 8.635 -0.687 18325
323 1 . 1 1 59 59 VAL N N 59 126.444 126.444 126.974 -0.530 18325
324 1 . 1 1 59 59 VAL HA H 59 5.095 5.095 4.864 0.231 18325
325 1 . 1 1 59 59 VAL C C 59 173.176 173.176 173.344 -0.168 18325
326 1 . 1 1 59 59 VAL CA C 59 60.133 60.133 59.631 0.502 18325
327 1 . 1 1 59 59 VAL CB C 59 34.117 34.117 34.920 -0.803 18325
328 1 . 1 1 59 59 VAL H H 59 9.428 9.428 9.091 0.337 18325
329 1 . 1 1 60 60 LYS N N 60 126.183 126.183 129.004 -2.821 18325
330 1 . 1 1 60 60 LYS HA H 60 5.379 5.379 5.167 0.212 18325
331 1 . 1 1 60 60 LYS C C 60 175.404 175.404 175.288 0.116 18325
332 1 . 1 1 60 60 LYS CA C 60 54.611 54.611 54.648 -0.037 18325
333 1 . 1 1 60 60 LYS CB C 60 37.601 37.601 34.769 2.832 18325
334 1 . 1 1 60 60 LYS H H 60 9.214 9.214 8.960 0.254 18325
335 1 . 1 1 61 61 PHE N N 61 126.709 126.709 124.092 2.617 18325
336 1 . 1 1 61 61 PHE HA H 61 4.736 4.736 5.086 -0.350 18325
337 1 . 1 1 61 61 PHE C C 61 178.102 178.102 177.434 0.668 18325
338 1 . 1 1 61 61 PHE CA C 61 58.048 58.048 57.113 0.935 18325
339 1 . 1 1 61 61 PHE CB C 61 41.221 41.221 41.040 0.181 18325
340 1 . 1 1 61 61 PHE H H 61 9.069 9.069 9.112 -0.043 18325
341 1 . 1 1 62 62 ALA N N 62 123.358 123.358 124.257 -0.899 18325
342 1 . 1 1 62 62 ALA HA H 62 4.134 4.134 4.103 0.031 18325
343 1 . 1 1 62 62 ALA C C 62 177.754 177.754 177.886 -0.132 18325
344 1 . 1 1 62 62 ALA CA C 62 54.940 54.940 54.575 0.365 18325
345 1 . 1 1 62 62 ALA CB C 62 19.243 19.243 18.454 0.789 18325
346 1 . 1 1 62 62 ALA H H 62 9.728 9.728 8.829 0.899 18325
347 1 . 1 1 63 63 ASP N N 63 113.412 113.412 117.060 -3.648 18325
348 1 . 1 1 63 63 ASP HA H 63 4.586 4.586 4.532 0.054 18325
349 1 . 1 1 63 63 ASP C C 63 177.032 177.032 177.494 -0.462 18325
350 1 . 1 1 63 63 ASP CA C 63 53.141 53.141 54.335 -1.194 18325
351 1 . 1 1 63 63 ASP CB C 63 40.040 40.040 40.859 -0.819 18325
352 1 . 1 1 63 63 ASP H H 63 7.675 7.675 8.096 -0.421 18325
353 1 . 1 1 64 64 GLY N N 64 109.285 109.285 107.472 1.813 18325
354 1 . 1 1 64 64 GLY C C 64 173.680 173.680 174.308 -0.628 18325
355 1 . 1 1 64 64 GLY CA C 64 45.328 45.328 45.051 0.277 18325
356 1 . 1 1 64 64 GLY H H 64 8.361 8.361 8.068 0.293 18325
357 1 . 1 1 65 65 SER N N 65 117.733 117.733 116.949 0.784 18325
358 1 . 1 1 65 65 SER HA H 65 4.567 4.567 4.700 -0.133 18325
359 1 . 1 1 65 65 SER C C 65 173.595 173.595 173.706 -0.111 18325
360 1 . 1 1 65 65 SER CA C 65 58.964 58.964 58.427 0.537 18325
361 1 . 1 1 65 65 SER CB C 65 64.637 64.637 64.077 0.560 18325
362 1 . 1 1 65 65 SER H H 65 8.287 8.287 8.067 0.220 18325
363 1 . 1 1 66 66 THR N N 66 106.725 106.725 116.091 -9.366 18325
364 1 . 1 1 66 66 THR HA H 66 6.250 6.250 5.474 0.776 18325
365 1 . 1 1 66 66 THR C C 66 175.730 175.730 174.046 1.684 18325
366 1 . 1 1 66 66 THR CA C 66 59.494 59.494 60.620 -1.126 18325
367 1 . 1 1 66 66 THR CB C 66 73.049 73.049 71.111 1.938 18325
368 1 . 1 1 66 66 THR H H 66 8.221 8.221 8.291 -0.070 18325
369 1 . 1 1 67 67 LEU N N 67 117.517 117.517 126.183 -8.666 18325
370 1 . 1 1 67 67 LEU HA H 67 4.868 4.868 4.775 0.093 18325
371 1 . 1 1 67 67 LEU C C 67 176.030 176.030 175.657 0.373 18325
372 1 . 1 1 67 67 LEU CA C 67 54.768 54.768 54.232 0.536 18325
373 1 . 1 1 67 67 LEU CB C 67 47.406 47.406 45.178 2.228 18325
374 1 . 1 1 67 67 LEU H H 67 8.763 8.763 9.275 -0.512 18325
375 1 . 1 1 68 68 THR N N 68 120.988 120.988 121.232 -0.244 18325
376 1 . 1 1 68 68 THR HA H 68 4.616 4.616 4.587 0.029 18325
377 1 . 1 1 68 68 THR C C 68 173.201 173.201 174.114 -0.913 18325
378 1 . 1 1 68 68 THR CA C 68 62.802 62.802 62.333 0.469 18325
379 1 . 1 1 68 68 THR CB C 68 69.226 69.226 69.155 0.071 18325
380 1 . 1 1 68 68 THR H H 68 9.226 9.226 8.648 0.578 18325
381 1 . 1 1 69 69 ASN N N 69 122.679 122.679 122.555 0.124 18325
382 1 . 1 1 69 69 ASN HA H 69 4.290 4.290 4.544 -0.254 18325
383 1 . 1 1 69 69 ASN CA C 69 54.466 54.466 53.576 0.890 18325
384 1 . 1 1 69 69 ASN CB C 69 38.731 38.731 37.600 1.131 18325
385 1 . 1 1 69 69 ASN H H 69 9.097 9.097 8.532 0.565 18325
386 1 . 1 1 70 70 PRO HA H 70 4.869 4.869 4.743 0.126 18325
387 1 . 1 1 70 70 PRO C C 70 177.239 177.239 175.921 1.318 18325
388 1 . 1 1 70 70 PRO CA C 70 63.057 63.057 62.369 0.688 18325
389 1 . 1 1 70 70 PRO CB C 70 32.153 32.153 33.235 -1.082 18325
390 1 . 1 1 71 71 SER N N 71 115.373 115.373 114.449 0.924 18325
391 1 . 1 1 71 71 SER HA H 71 4.620 4.620 4.621 -0.001 18325
392 1 . 1 1 71 71 SER C C 71 175.966 175.966 175.742 0.224 18325
393 1 . 1 1 71 71 SER CA C 71 56.624 56.624 57.045 -0.421 18325
394 1 . 1 1 71 71 SER CB C 71 65.562 65.562 64.819 0.743 18325
395 1 . 1 1 71 71 SER H H 71 8.932 8.932 8.556 0.376 18325
396 1 . 1 1 72 72 ALA N N 72 124.008 124.008 126.604 -2.595 18325
397 1 . 1 1 72 72 ALA HA H 72 3.763 3.763 4.039 -0.276 18325
398 1 . 1 1 72 72 ALA C C 72 179.550 179.550 179.254 0.297 18325
399 1 . 1 1 72 72 ALA CA C 72 55.970 55.970 55.317 0.653 18325
400 1 . 1 1 72 72 ALA CB C 72 17.873 17.873 18.396 -0.523 18325
401 1 . 1 1 72 72 ALA H H 72 9.235 9.235 8.848 0.387 18325
402 1 . 1 1 73 73 ASP N N 73 116.584 116.584 117.658 -1.074 18325
403 1 . 1 1 73 73 ASP HA H 73 4.330 4.330 4.350 -0.020 18325
404 1 . 1 1 73 73 ASP C C 73 179.219 179.219 178.438 0.781 18325
405 1 . 1 1 73 73 ASP CA C 73 57.583 57.583 57.652 -0.069 18325
406 1 . 1 1 73 73 ASP CB C 73 40.300 40.300 40.291 0.009 18325
407 1 . 1 1 73 73 ASP H H 73 8.277 8.277 8.666 -0.389 18325
408 1 . 1 1 74 74 GLU N N 74 122.057 122.057 119.849 2.208 18325
409 1 . 1 1 74 74 GLU HA H 74 4.015 4.015 4.097 -0.082 18325
410 1 . 1 1 74 74 GLU C C 74 180.045 180.045 179.117 0.928 18325
411 1 . 1 1 74 74 GLU CA C 74 59.199 59.199 59.088 0.111 18325
412 1 . 1 1 74 74 GLU CB C 74 30.074 30.074 29.500 0.574 18325
413 1 . 1 1 74 74 GLU H H 74 7.925 7.925 7.857 0.068 18325
414 1 . 1 1 75 75 VAL N N 75 120.141 120.141 120.283 -0.142 18325
415 1 . 1 1 75 75 VAL HA H 75 3.681 3.681 3.882 -0.201 18325
416 1 . 1 1 75 75 VAL C C 75 177.008 177.008 177.987 -0.979 18325
417 1 . 1 1 75 75 VAL CA C 75 67.172 67.172 66.771 0.401 18325
418 1 . 1 1 75 75 VAL CB C 75 31.237 31.237 31.397 -0.160 18325
419 1 . 1 1 75 75 VAL H H 75 7.885 7.885 8.134 -0.249 18325
420 1 . 1 1 76 76 LYS N N 76 118.715 118.715 120.330 -1.615 18325
421 1 . 1 1 76 76 LYS HA H 76 3.827 3.827 3.991 -0.164 18325
422 1 . 1 1 76 76 LYS C C 76 178.105 178.105 178.540 -0.435 18325
423 1 . 1 1 76 76 LYS CA C 76 60.397 60.397 59.719 0.678 18325
424 1 . 1 1 76 76 LYS CB C 76 32.405 32.405 32.273 0.132 18325
425 1 . 1 1 76 76 LYS H H 76 8.298 8.298 8.300 -0.002 18325
426 1 . 1 1 77 77 ALA N N 77 118.993 118.993 120.705 -1.712 18325
427 1 . 1 1 77 77 ALA HA H 77 4.031 4.031 4.122 -0.091 18325
428 1 . 1 1 77 77 ALA C C 77 180.450 180.450 179.757 0.692 18325
429 1 . 1 1 77 77 ALA CA C 77 54.820 54.820 54.958 -0.138 18325
430 1 . 1 1 77 77 ALA CB C 77 18.200 18.200 18.343 -0.143 18325
431 1 . 1 1 77 77 ALA H H 77 7.985 7.985 8.032 -0.047 18325
432 1 . 1 1 78 78 LYS N N 78 119.952 119.952 118.648 1.304 18325
433 1 . 1 1 78 78 LYS HA H 78 3.975 3.975 4.037 -0.062 18325
434 1 . 1 1 78 78 LYS C C 78 177.949 177.949 178.550 -0.601 18325
435 1 . 1 1 78 78 LYS CA C 78 58.079 58.079 57.804 0.275 18325
436 1 . 1 1 78 78 LYS CB C 78 31.342 31.342 31.875 -0.533 18325
437 1 . 1 1 78 78 LYS H H 78 7.480 7.480 7.863 -0.383 18325
438 1 . 1 1 79 79 LEU N N 79 118.729 118.729 121.588 -2.859 18325
439 1 . 1 1 79 79 LEU HA H 79 4.036 4.036 4.193 -0.157 18325
440 1 . 1 1 79 79 LEU C C 79 180.234 180.234 178.396 1.838 18325
441 1 . 1 1 79 79 LEU CA C 79 58.096 58.096 58.279 -0.183 18325
442 1 . 1 1 79 79 LEU CB C 79 41.776 41.776 41.892 -0.116 18325
443 1 . 1 1 79 79 LEU H H 79 8.075 8.075 8.257 -0.182 18325
444 1 . 1 1 80 80 VAL N N 80 118.567 118.567 114.093 4.474 18325
445 1 . 1 1 80 80 VAL HA H 80 3.733 3.733 3.689 0.044 18325
446 1 . 1 1 80 80 VAL C C 80 178.390 178.390 177.397 0.993 18325
447 1 . 1 1 80 80 VAL CA C 80 65.895 65.895 65.861 0.034 18325
448 1 . 1 1 80 80 VAL CB C 80 31.961 31.961 31.202 0.759 18325
449 1 . 1 1 80 80 VAL H H 80 7.867 7.867 7.961 -0.094 18325
450 1 . 1 1 81 81 LYS N N 81 121.106 121.106 118.699 2.407 18325
451 1 . 1 1 81 81 LYS HA H 81 4.092 4.092 4.215 -0.123 18325
452 1 . 1 1 81 81 LYS C C 81 179.434 179.434 178.655 0.779 18325
453 1 . 1 1 81 81 LYS CA C 81 58.943 58.943 58.526 0.417 18325
454 1 . 1 1 81 81 LYS CB C 81 32.497 32.497 32.513 -0.016 18325
455 1 . 1 1 81 81 LYS H H 81 7.565 7.565 7.378 0.187 18325
456 1 . 1 1 82 82 ILE N N 82 117.365 117.365 115.652 1.713 18325
457 1 . 1 1 82 82 ILE HA H 82 3.953 3.953 4.111 -0.158 18325
458 1 . 1 1 82 82 ILE C C 82 177.482 177.482 177.038 0.444 18325
459 1 . 1 1 82 82 ILE CA C 82 63.598 63.598 62.500 1.098 18325
460 1 . 1 1 82 82 ILE CB C 82 38.372 38.372 37.628 0.744 18325
461 1 . 1 1 82 82 ILE H H 82 8.124 8.124 7.902 0.222 18325
462 1 . 1 1 83 83 ALA N N 83 123.334 123.334 121.046 2.288 18325
463 1 . 1 1 83 83 ALA HA H 83 4.279 4.279 4.424 -0.145 18325
464 1 . 1 1 83 83 ALA C C 83 179.104 179.104 178.292 0.812 18325
465 1 . 1 1 83 83 ALA CA C 83 53.851 53.851 52.702 1.149 18325
466 1 . 1 1 83 83 ALA CB C 83 18.769 18.769 19.680 -0.911 18325
467 1 . 1 1 83 83 ALA H H 83 7.867 7.867 8.122 -0.255 18325
468 1 . 1 1 84 84 GLY N N 84 105.962 105.962 107.196 -1.234 18325
469 1 . 1 1 84 84 GLY C C 84 174.779 174.779 174.364 0.415 18325
470 1 . 1 1 84 84 GLY CA C 84 45.847 45.847 45.682 0.165 18325
471 1 . 1 1 84 84 GLY H H 84 8.019 8.019 7.844 0.175 18325
472 1 . 1 1 85 85 LEU N N 85 120.702 120.702 122.231 -1.529 18325
473 1 . 1 1 85 85 LEU HA H 85 4.275 4.275 4.562 -0.287 18325
474 1 . 1 1 85 85 LEU C C 85 177.609 177.609 176.762 0.847 18325
475 1 . 1 1 85 85 LEU CA C 85 55.511 55.511 54.875 0.636 18325
476 1 . 1 1 85 85 LEU CB C 85 42.449 42.449 42.461 -0.012 18325
477 1 . 1 1 85 85 LEU H H 85 7.727 7.727 8.024 -0.297 18325
478 1 . 1 1 86 86 GLU N N 86 120.386 120.386 119.431 0.955 18325
479 1 . 1 1 86 86 GLU HA H 86 4.154 4.154 4.207 -0.053 18325
480 1 . 1 1 86 86 GLU C C 86 176.359 176.359 176.006 0.353 18325
481 1 . 1 1 86 86 GLU CA C 86 56.941 56.941 57.006 -0.065 18325
482 1 . 1 1 86 86 GLU CB C 86 30.180 30.180 29.501 0.679 18325
483 1 . 1 1 86 86 GLU H H 86 8.238 8.238 8.276 -0.038 18325
484 1 . 1 1 87 87 HIS N N 87 119.393 119.393 118.646 0.747 18325
485 1 . 1 1 87 87 HIS HA H 87 4.590 4.590 4.609 -0.019 18325
486 1 . 1 1 87 87 HIS C C 87 174.000 174.000 174.051 -0.051 18325
487 1 . 1 1 87 87 HIS CA C 87 56.146 56.146 56.277 -0.131 18325
488 1 . 1 1 87 87 HIS CB C 87 30.335 30.335 30.547 -0.212 18325
489 1 . 1 1 87 87 HIS H H 87 8.177 8.177 8.111 0.066 18325
stop_
save_