data_18511
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18511
_Entry.PDB_ID 2LU7
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 18511
_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 4 4 THR N N 2 121.282 121.282 120.932 0.350 18511
2 1 1 . 1 1 4 4 THR HA H 2 4.463 4.463 4.082 0.381 18511
3 1 1 . 1 1 4 4 THR C C 2 173.255 173.255 173.575 -0.320 18511
4 1 1 . 1 1 4 4 THR CA C 2 62.056 62.056 62.254 -0.198 18511
5 1 1 . 1 1 4 4 THR CB C 2 70.955 70.955 68.372 2.583 18511
6 1 1 . 1 1 4 4 THR H H 2 8.319 8.319 8.251 0.068 18511
7 1 1 . 1 1 5 5 ARG N N 3 127.535 127.535 128.230 -0.695 18511
8 1 1 . 1 1 5 5 ARG HA H 3 5.083 5.083 4.497 0.586 18511
9 1 1 . 1 1 5 5 ARG C C 3 175.694 175.694 174.895 0.799 18511
10 1 1 . 1 1 5 5 ARG CA C 3 55.236 55.236 55.444 -0.208 18511
11 1 1 . 1 1 5 5 ARG CB C 3 30.776 30.776 30.932 -0.156 18511
12 1 1 . 1 1 5 5 ARG H H 3 8.958 8.958 8.397 0.561 18511
13 1 1 . 1 1 6 6 VAL N N 4 125.495 125.495 125.991 -0.496 18511
14 1 1 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.336 -0.004 18511
15 1 1 . 1 1 6 6 VAL C C 4 173.365 173.365 173.859 -0.494 18511
16 1 1 . 1 1 6 6 VAL CA C 4 61.473 61.473 60.740 0.733 18511
17 1 1 . 1 1 6 6 VAL CB C 4 35.854 35.854 35.543 0.311 18511
18 1 1 . 1 1 6 6 VAL H H 4 8.812 8.812 8.516 0.296 18511
19 1 1 . 1 1 7 7 ARG N N 5 127.554 127.554 125.659 1.895 18511
20 1 1 . 1 1 7 7 ARG HA H 5 5.175 5.175 5.136 0.039 18511
21 1 1 . 1 1 7 7 ARG C C 5 175.694 175.694 175.083 0.611 18511
22 1 1 . 1 1 7 7 ARG CA C 5 54.373 54.373 54.825 -0.452 18511
23 1 1 . 1 1 7 7 ARG CB C 5 31.679 31.679 32.683 -1.004 18511
24 1 1 . 1 1 7 7 ARG H H 5 8.712 8.712 8.639 0.073 18511
25 1 1 . 1 1 8 8 SER N N 6 120.281 120.281 119.681 0.600 18511
26 1 1 . 1 1 8 8 SER HA H 6 4.762 4.762 4.797 -0.035 18511
27 1 1 . 1 1 8 8 SER C C 6 173.555 173.555 172.622 0.933 18511
28 1 1 . 1 1 8 8 SER CA C 6 56.428 56.428 56.551 -0.123 18511
29 1 1 . 1 1 8 8 SER CB C 6 65.450 65.450 65.817 -0.367 18511
30 1 1 . 1 1 8 8 SER H H 6 8.669 8.669 8.854 -0.185 18511
31 1 1 . 1 1 9 9 THR N N 7 117.885 117.885 113.092 4.793 18511
32 1 1 . 1 1 9 9 THR HA H 7 4.847 4.847 5.628 -0.781 18511
33 1 1 . 1 1 9 9 THR C C 7 172.748 172.748 172.926 -0.178 18511
34 1 1 . 1 1 9 9 THR CA C 7 59.436 59.436 57.573 1.863 18511
35 1 1 . 1 1 9 9 THR CB C 7 69.938 69.938 70.342 -0.404 18511
36 1 1 . 1 1 9 9 THR H H 7 8.362 8.362 8.580 -0.218 18511
37 1 1 . 1 1 10 10 PRO HA H 8 4.060 4.060 4.593 -0.533 18511
38 1 1 . 1 1 10 10 PRO C C 8 177.966 177.966 176.804 1.162 18511
39 1 1 . 1 1 10 10 PRO CA C 8 63.484 63.484 63.367 0.117 18511
40 1 1 . 1 1 10 10 PRO CB C 8 30.986 30.986 30.006 0.980 18511
41 1 1 . 1 1 11 11 GLY N N 9 114.800 114.800 113.466 1.334 18511
42 1 1 . 1 1 11 11 GLY C C 9 174.870 174.870 174.677 0.193 18511
43 1 1 . 1 1 11 11 GLY CA C 9 45.147 45.147 45.168 -0.021 18511
44 1 1 . 1 1 11 11 GLY H H 9 9.824 9.824 8.683 1.141 18511
45 1 1 . 1 1 12 12 GLY N N 10 109.721 109.721 110.431 -0.710 18511
46 1 1 . 1 1 12 12 GLY C C 10 171.924 171.924 172.556 -0.632 18511
47 1 1 . 1 1 12 12 GLY CA C 10 43.913 43.913 43.939 -0.026 18511
48 1 1 . 1 1 12 12 GLY H H 10 8.172 8.172 7.866 0.306 18511
49 1 1 . 1 1 13 13 ASP N N 11 119.275 119.275 118.550 0.725 18511
50 1 1 . 1 1 13 13 ASP HA H 11 5.316 5.316 4.719 0.597 18511
51 1 1 . 1 1 13 13 ASP C C 11 176.185 176.185 174.749 1.436 18511
52 1 1 . 1 1 13 13 ASP CA C 11 53.404 53.404 52.790 0.614 18511
53 1 1 . 1 1 13 13 ASP CB C 11 41.309 41.309 43.529 -2.220 18511
54 1 1 . 1 1 13 13 ASP H H 11 8.442 8.442 8.140 0.302 18511
55 1 1 . 1 1 14 14 LEU N N 12 125.431 125.431 120.739 4.692 18511
56 1 1 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.709 -0.283 18511
57 1 1 . 1 1 14 14 LEU C C 12 174.934 174.934 174.358 0.576 18511
58 1 1 . 1 1 14 14 LEU CA C 12 53.697 53.697 54.217 -0.520 18511
59 1 1 . 1 1 14 14 LEU CB C 12 44.170 44.170 44.828 -0.658 18511
60 1 1 . 1 1 14 14 LEU H H 12 8.889 8.889 8.220 0.669 18511
61 1 1 . 1 1 15 15 GLU N N 13 126.203 126.203 127.363 -1.160 18511
62 1 1 . 1 1 15 15 GLU HA H 13 4.901 4.901 4.748 0.153 18511
63 1 1 . 1 1 15 15 GLU C C 13 173.555 173.555 175.277 -1.722 18511
64 1 1 . 1 1 15 15 GLU CA C 13 55.168 55.168 54.683 0.485 18511
65 1 1 . 1 1 15 15 GLU CB C 13 32.489 32.489 31.579 0.910 18511
66 1 1 . 1 1 15 15 GLU H H 13 8.469 8.469 8.564 -0.095 18511
67 1 1 . 1 1 16 16 LEU N N 14 127.480 127.480 129.898 -2.418 18511
68 1 1 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.693 -0.471 18511
69 1 1 . 1 1 16 16 LEU C C 14 174.221 174.221 175.448 -1.227 18511
70 1 1 . 1 1 16 16 LEU CA C 14 52.900 52.900 53.860 -0.960 18511
71 1 1 . 1 1 16 16 LEU CB C 14 40.861 40.861 42.035 -1.174 18511
72 1 1 . 1 1 16 16 LEU H H 14 9.082 9.082 8.663 0.419 18511
73 1 1 . 1 1 17 17 VAL N N 15 122.038 122.038 125.699 -3.661 18511
74 1 1 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.701 0.060 18511
75 1 1 . 1 1 17 17 VAL C C 15 175.330 175.330 176.158 -0.828 18511
76 1 1 . 1 1 17 17 VAL CA C 15 61.468 61.468 61.399 0.069 18511
77 1 1 . 1 1 17 17 VAL CB C 15 33.749 33.749 32.778 0.971 18511
78 1 1 . 1 1 17 17 VAL H H 15 8.105 8.105 8.500 -0.395 18511
79 1 1 . 1 1 18 18 VAL N N 16 127.741 127.741 126.252 1.489 18511
80 1 1 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.623 -0.338 18511
81 1 1 . 1 1 18 18 VAL C C 16 173.555 173.555 175.299 -1.744 18511
82 1 1 . 1 1 18 18 VAL CA C 16 61.020 61.020 61.273 -0.253 18511
83 1 1 . 1 1 18 18 VAL CB C 16 35.604 35.604 33.584 2.020 18511
84 1 1 . 1 1 18 18 VAL H H 16 9.335 9.335 8.358 0.977 18511
85 1 1 . 1 1 19 19 HIS N N 17 126.695 126.695 121.775 4.920 18511
86 1 1 . 1 1 19 19 HIS HA H 17 5.023 5.023 5.318 -0.295 18511
87 1 1 . 1 1 19 19 HIS C C 17 175.710 175.710 174.934 0.776 18511
88 1 1 . 1 1 19 19 HIS CA C 17 55.225 55.225 54.679 0.546 18511
89 1 1 . 1 1 19 19 HIS CB C 17 30.418 30.418 29.833 0.585 18511
90 1 1 . 1 1 19 19 HIS H H 17 8.710 8.710 8.668 0.042 18511
91 1 1 . 1 1 20 20 LEU N N 18 124.981 124.981 118.287 6.694 18511
92 1 1 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.476 -0.165 18511
93 1 1 . 1 1 20 20 LEU C C 18 177.357 177.357 176.802 0.555 18511
94 1 1 . 1 1 20 20 LEU CA C 18 54.162 54.162 54.462 -0.299 18511
95 1 1 . 1 1 20 20 LEU CB C 18 43.005 43.005 42.543 0.462 18511
96 1 1 . 1 1 20 20 LEU H H 18 8.941 8.941 7.610 1.331 18511
97 1 1 . 1 1 21 21 SER N N 19 116.428 116.428 116.270 0.158 18511
98 1 1 . 1 1 21 21 SER HA H 19 4.280 4.280 4.497 -0.217 18511
99 1 1 . 1 1 21 21 SER C C 19 174.348 174.348 174.044 0.304 18511
100 1 1 . 1 1 21 21 SER CA C 19 59.696 59.696 58.938 0.758 18511
101 1 1 . 1 1 21 21 SER CB C 19 63.364 63.364 63.084 0.280 18511
102 1 1 . 1 1 21 21 SER H H 19 9.513 9.513 8.630 0.883 18511
103 1 1 . 1 1 22 22 GLY N N 20 107.975 107.975 109.310 -1.335 18511
104 1 1 . 1 1 22 22 GLY C C 20 171.306 171.306 172.273 -0.967 18511
105 1 1 . 1 1 22 22 GLY CA C 20 44.193 44.193 42.248 1.945 18511
106 1 1 . 1 1 22 22 GLY H H 20 7.532 7.532 7.835 -0.303 18511
107 1 1 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.594 -0.231 18511
108 1 1 . 1 1 23 23 PRO C C 21 177.141 177.141 178.368 -1.227 18511
109 1 1 . 1 1 23 23 PRO CA C 21 63.096 63.096 62.282 0.814 18511
110 1 1 . 1 1 23 23 PRO CB C 21 32.105 32.105 33.541 -1.436 18511
111 1 1 . 1 1 24 24 GLY N N 22 107.827 107.827 106.817 1.010 18511
112 1 1 . 1 1 24 24 GLY C C 22 173.270 173.270 175.242 -1.972 18511
113 1 1 . 1 1 24 24 GLY CA C 22 45.013 45.013 46.648 -1.635 18511
114 1 1 . 1 1 24 24 GLY H H 22 8.264 8.264 8.732 -0.468 18511
115 1 1 . 1 1 25 25 GLY N N 23 108.700 108.700 108.277 0.423 18511
116 1 1 . 1 1 25 25 GLY C C 23 170.292 170.292 172.937 -2.645 18511
117 1 1 . 1 1 25 25 GLY CA C 23 43.573 43.573 44.648 -1.075 18511
118 1 1 . 1 1 25 25 GLY H H 23 7.797 7.797 8.115 -0.318 18511
119 1 1 . 1 1 26 26 PRO HA H 24 4.574 4.574 4.702 -0.128 18511
120 1 1 . 1 1 26 26 PRO C C 24 175.331 175.331 176.267 -0.936 18511
121 1 1 . 1 1 26 26 PRO CA C 24 62.105 62.105 62.854 -0.749 18511
122 1 1 . 1 1 26 26 PRO CB C 24 34.842 34.842 32.469 2.373 18511
123 1 1 . 1 1 27 27 VAL N N 25 121.565 121.565 124.620 -3.055 18511
124 1 1 . 1 1 27 27 VAL HA H 25 4.662 4.662 3.921 0.741 18511
125 1 1 . 1 1 27 27 VAL C C 25 175.742 175.742 176.029 -0.287 18511
126 1 1 . 1 1 27 27 VAL CA C 25 61.384 61.384 62.982 -1.598 18511
127 1 1 . 1 1 27 27 VAL CB C 25 32.971 32.971 32.202 0.769 18511
128 1 1 . 1 1 27 27 VAL H H 25 8.579 8.579 8.165 0.414 18511
129 1 1 . 1 1 28 28 ARG N N 26 127.876 127.876 126.867 1.009 18511
130 1 1 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.478 0.104 18511
131 1 1 . 1 1 28 28 ARG C C 26 173.144 173.144 174.884 -1.740 18511
132 1 1 . 1 1 28 28 ARG CA C 26 54.861 54.861 54.768 0.093 18511
133 1 1 . 1 1 28 28 ARG CB C 26 34.589 34.589 31.974 2.615 18511
134 1 1 . 1 1 28 28 ARG H H 26 8.856 8.856 7.947 0.909 18511
135 1 1 . 1 1 29 29 TRP N N 27 121.571 121.571 122.244 -0.673 18511
136 1 1 . 1 1 29 29 TRP HA H 27 5.986 5.986 5.197 0.789 18511
137 1 1 . 1 1 29 29 TRP C C 27 175.932 175.932 175.728 0.204 18511
138 1 1 . 1 1 29 29 TRP CA C 27 55.504 55.504 56.114 -0.610 18511
139 1 1 . 1 1 29 29 TRP CB C 27 32.584 32.584 31.209 1.375 18511
140 1 1 . 1 1 29 29 TRP H H 27 8.858 8.858 8.711 0.147 18511
141 1 1 . 1 1 30 30 TYR N N 28 118.451 118.451 123.205 -4.754 18511
142 1 1 . 1 1 30 30 TYR HA H 28 5.332 5.332 4.760 0.572 18511
143 1 1 . 1 1 30 30 TYR C C 28 175.108 175.108 174.918 0.190 18511
144 1 1 . 1 1 30 30 TYR CA C 28 55.924 55.924 56.878 -0.954 18511
145 1 1 . 1 1 30 30 TYR CB C 28 43.194 43.194 41.689 1.505 18511
146 1 1 . 1 1 30 30 TYR H H 28 9.605 9.605 8.943 0.662 18511
147 1 1 . 1 1 31 31 LYS N N 29 120.638 120.638 120.323 0.315 18511
148 1 1 . 1 1 31 31 LYS HA H 29 4.790 4.790 4.520 0.270 18511
149 1 1 . 1 1 31 31 LYS C C 29 176.565 176.565 176.014 0.551 18511
150 1 1 . 1 1 31 31 LYS CA C 29 54.496 54.496 55.123 -0.627 18511
151 1 1 . 1 1 31 31 LYS CB C 29 35.345 35.345 34.514 0.831 18511
152 1 1 . 1 1 31 31 LYS H H 29 9.055 9.055 8.637 0.418 18511
153 1 1 . 1 1 32 32 ASP N N 30 131.009 131.009 128.517 2.492 18511
154 1 1 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.279 0.167 18511
155 1 1 . 1 1 32 32 ASP C C 30 176.344 176.344 176.160 0.184 18511
156 1 1 . 1 1 32 32 ASP CA C 30 55.846 55.846 55.716 0.130 18511
157 1 1 . 1 1 32 32 ASP CB C 30 40.289 40.289 39.784 0.505 18511
158 1 1 . 1 1 32 32 ASP H H 30 10.006 10.006 8.816 1.190 18511
159 1 1 . 1 1 33 33 GLY N N 31 102.658 102.658 104.195 -1.537 18511
160 1 1 . 1 1 33 33 GLY C C 31 173.809 173.809 173.693 0.116 18511
161 1 1 . 1 1 33 33 GLY CA C 31 45.127 45.127 44.993 0.134 18511
162 1 1 . 1 1 33 33 GLY H H 31 8.903 8.903 8.673 0.230 18511
163 1 1 . 1 1 34 34 GLU N N 32 121.796 121.796 122.632 -0.836 18511
164 1 1 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.770 -0.028 18511
165 1 1 . 1 1 34 34 GLU C C 32 175.789 175.789 175.886 -0.097 18511
166 1 1 . 1 1 34 34 GLU CA C 32 54.496 54.496 54.425 0.071 18511
167 1 1 . 1 1 34 34 GLU CB C 32 31.161 31.161 31.410 -0.249 18511
168 1 1 . 1 1 34 34 GLU H H 32 8.152 8.152 8.014 0.138 18511
169 1 1 . 1 1 35 35 ARG N N 33 126.589 126.589 126.176 0.413 18511
170 1 1 . 1 1 35 35 ARG HA H 33 3.927 3.927 4.276 -0.349 18511
171 1 1 . 1 1 35 35 ARG C C 33 176.296 176.296 175.388 0.908 18511
172 1 1 . 1 1 35 35 ARG CA C 33 56.344 56.344 56.204 0.140 18511
173 1 1 . 1 1 35 35 ARG CB C 33 29.803 29.803 30.150 -0.347 18511
174 1 1 . 1 1 35 35 ARG H H 33 8.928 8.928 8.703 0.225 18511
175 1 1 . 1 1 36 36 LEU N N 34 127.490 127.490 123.111 4.379 18511
176 1 1 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.541 0.056 18511
177 1 1 . 1 1 36 36 LEU C C 34 175.361 175.361 176.174 -0.813 18511
178 1 1 . 1 1 36 36 LEU CA C 34 53.656 53.656 54.242 -0.586 18511
179 1 1 . 1 1 36 36 LEU CB C 34 44.501 44.501 42.908 1.593 18511
180 1 1 . 1 1 36 36 LEU H H 34 8.668 8.668 8.313 0.355 18511
181 1 1 . 1 1 37 37 ALA N N 35 124.016 124.016 124.319 -0.303 18511
182 1 1 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.605 -0.056 18511
183 1 1 . 1 1 37 37 ALA C C 35 175.757 175.757 176.249 -0.492 18511
184 1 1 . 1 1 37 37 ALA CA C 35 50.039 50.039 50.315 -0.276 18511
185 1 1 . 1 1 37 37 ALA CB C 35 21.822 21.822 20.386 1.436 18511
186 1 1 . 1 1 37 37 ALA H H 35 8.177 8.177 8.079 0.098 18511
187 1 1 . 1 1 38 38 SER N N 36 114.574 114.574 116.259 -1.685 18511
188 1 1 . 1 1 38 38 SER HA H 36 4.440 4.440 4.353 0.087 18511
189 1 1 . 1 1 38 38 SER C C 36 174.005 174.005 174.332 -0.327 18511
190 1 1 . 1 1 38 38 SER CA C 36 57.610 57.610 58.189 -0.579 18511
191 1 1 . 1 1 38 38 SER CB C 36 62.056 62.056 63.364 -1.308 18511
192 1 1 . 1 1 38 38 SER H H 36 8.444 8.444 8.405 0.038 18511
193 1 1 . 1 1 39 39 GLN N N 37 126.057 126.057 126.755 -0.698 18511
194 1 1 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.470 -0.018 18511
195 1 1 . 1 1 39 39 GLN C C 37 175.599 175.599 176.866 -1.267 18511
196 1 1 . 1 1 39 39 GLN CA C 37 55.433 55.433 54.143 1.290 18511
197 1 1 . 1 1 39 39 GLN CB C 37 29.970 29.970 31.084 -1.114 18511
198 1 1 . 1 1 39 39 GLN H H 37 8.477 8.477 7.917 0.560 18511
199 1 1 . 1 1 41 41 ARG HA H 39 4.228 4.228 4.320 -0.092 18511
200 1 1 . 1 1 41 41 ARG C C 39 174.776 174.776 175.840 -1.064 18511
201 1 1 . 1 1 41 41 ARG CA C 39 57.143 57.143 57.291 -0.148 18511
202 1 1 . 1 1 41 41 ARG CB C 39 30.504 30.504 30.754 -0.250 18511
203 1 1 . 1 1 42 42 VAL N N 40 119.931 119.931 121.087 -1.156 18511
204 1 1 . 1 1 42 42 VAL HA H 40 4.602 4.602 4.504 0.098 18511
205 1 1 . 1 1 42 42 VAL C C 40 174.854 174.854 175.237 -0.383 18511
206 1 1 . 1 1 42 42 VAL CA C 40 61.663 61.663 61.078 0.585 18511
207 1 1 . 1 1 42 42 VAL CB C 40 32.800 32.800 29.583 3.217 18511
208 1 1 . 1 1 42 42 VAL H H 40 7.662 7.662 7.722 -0.060 18511
209 1 1 . 1 1 43 43 GLN N N 41 125.689 125.689 126.598 -0.909 18511
210 1 1 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.412 0.119 18511
211 1 1 . 1 1 43 43 GLN C C 41 173.952 173.952 174.805 -0.853 18511
212 1 1 . 1 1 43 43 GLN CA C 41 53.656 53.656 54.928 -1.272 18511
213 1 1 . 1 1 43 43 GLN CB C 41 31.817 31.817 28.343 3.474 18511
214 1 1 . 1 1 43 43 GLN H H 41 8.937 8.937 8.492 0.445 18511
215 1 1 . 1 1 44 44 LEU N N 42 123.562 123.562 126.619 -3.057 18511
216 1 1 . 1 1 44 44 LEU HA H 42 4.984 4.984 5.039 -0.055 18511
217 1 1 . 1 1 44 44 LEU C C 42 176.565 176.565 176.644 -0.079 18511
218 1 1 . 1 1 44 44 LEU CA C 42 52.931 52.931 53.831 -0.900 18511
219 1 1 . 1 1 44 44 LEU CB C 42 42.474 42.474 43.410 -0.936 18511
220 1 1 . 1 1 44 44 LEU H H 42 8.231 8.231 8.256 -0.025 18511
221 1 1 . 1 1 45 45 GLU N N 43 124.016 124.016 120.845 3.171 18511
222 1 1 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.556 0.100 18511
223 1 1 . 1 1 45 45 GLU C C 43 175.346 175.346 174.387 0.959 18511
224 1 1 . 1 1 45 45 GLU CA C 43 54.723 54.723 55.076 -0.353 18511
225 1 1 . 1 1 45 45 GLU CB C 43 32.841 32.841 33.677 -0.836 18511
226 1 1 . 1 1 45 45 GLU H H 43 9.309 9.309 8.458 0.851 18511
227 1 1 . 1 1 46 46 GLN N N 44 125.220 125.220 125.623 -0.403 18511
228 1 1 . 1 1 46 46 GLN HA H 44 4.928 4.928 4.979 -0.051 18511
229 1 1 . 1 1 46 46 GLN C C 44 174.332 174.332 174.917 -0.585 18511
230 1 1 . 1 1 46 46 GLN CA C 44 54.832 54.832 54.891 -0.059 18511
231 1 1 . 1 1 46 46 GLN CB C 44 30.726 30.726 29.698 1.028 18511
232 1 1 . 1 1 46 46 GLN H H 44 8.825 8.825 8.691 0.134 18511
233 1 1 . 1 1 47 47 ALA N N 45 129.999 129.999 127.493 2.506 18511
234 1 1 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.608 0.064 18511
235 1 1 . 1 1 47 47 ALA C C 45 177.056 177.056 177.098 -0.042 18511
236 1 1 . 1 1 47 47 ALA CA C 45 50.716 50.716 51.548 -0.832 18511
237 1 1 . 1 1 47 47 ALA CB C 45 18.798 18.798 20.630 -1.832 18511
238 1 1 . 1 1 47 47 ALA H H 45 8.636 8.636 8.952 -0.316 18511
239 1 1 . 1 1 48 48 GLY CA C 46 46.885 46.885 46.069 0.816 18511
240 1 1 . 1 1 49 49 ALA HA H 47 4.183 4.183 4.153 0.030 18511
241 1 1 . 1 1 49 49 ALA C C 47 176.586 176.586 176.286 0.300 18511
242 1 1 . 1 1 49 49 ALA CA C 47 53.068 53.068 52.896 0.172 18511
243 1 1 . 1 1 49 49 ALA CB C 47 18.714 18.714 19.603 -0.889 18511
244 1 1 . 1 1 50 50 ARG N N 48 119.282 119.282 118.204 1.078 18511
245 1 1 . 1 1 50 50 ARG HA H 48 4.635 4.635 5.122 -0.487 18511
246 1 1 . 1 1 50 50 ARG C C 48 174.348 174.348 174.146 0.202 18511
247 1 1 . 1 1 50 50 ARG CA C 48 55.672 55.672 54.761 0.911 18511
248 1 1 . 1 1 50 50 ARG CB C 48 31.413 31.413 31.958 -0.545 18511
249 1 1 . 1 1 50 50 ARG H H 48 7.725 7.725 7.788 -0.063 18511
250 1 1 . 1 1 51 51 GLN N N 49 125.499 125.499 125.639 -0.140 18511
251 1 1 . 1 1 51 51 GLN HA H 49 4.961 4.961 5.099 -0.138 18511
252 1 1 . 1 1 51 51 GLN C C 49 174.427 174.427 175.020 -0.593 18511
253 1 1 . 1 1 51 51 GLN CA C 49 53.404 53.404 54.291 -0.887 18511
254 1 1 . 1 1 51 51 GLN CB C 49 30.133 30.133 31.192 -1.059 18511
255 1 1 . 1 1 51 51 GLN H H 49 9.086 9.086 8.309 0.777 18511
256 1 1 . 1 1 52 52 VAL N N 50 121.957 121.957 125.561 -3.604 18511
257 1 1 . 1 1 52 52 VAL HA H 50 5.185 5.185 5.043 0.141 18511
258 1 1 . 1 1 52 52 VAL C C 50 173.714 173.714 174.275 -0.561 18511
259 1 1 . 1 1 52 52 VAL CA C 50 60.314 60.314 61.023 -0.709 18511
260 1 1 . 1 1 52 52 VAL CB C 50 36.154 36.154 33.611 2.543 18511
261 1 1 . 1 1 52 52 VAL H H 50 8.687 8.687 8.934 -0.247 18511
262 1 1 . 1 1 53 53 LEU N N 51 129.580 129.580 129.063 0.517 18511
263 1 1 . 1 1 53 53 LEU HA H 51 4.389 4.389 4.356 0.033 18511
264 1 1 . 1 1 53 53 LEU C C 51 174.427 174.427 174.152 0.275 18511
265 1 1 . 1 1 53 53 LEU CA C 51 53.536 53.536 52.962 0.574 18511
266 1 1 . 1 1 53 53 LEU CB C 51 42.056 42.056 42.344 -0.288 18511
267 1 1 . 1 1 53 53 LEU H H 51 8.380 8.380 8.137 0.243 18511
268 1 1 . 1 1 54 54 ARG N N 52 125.706 125.706 127.474 -1.768 18511
269 1 1 . 1 1 54 54 ARG HA H 52 5.255 5.255 5.161 0.094 18511
270 1 1 . 1 1 54 54 ARG C C 52 174.981 174.981 174.968 0.013 18511
271 1 1 . 1 1 54 54 ARG CA C 52 53.992 53.992 54.416 -0.424 18511
272 1 1 . 1 1 54 54 ARG CB C 52 33.497 33.497 31.846 1.651 18511
273 1 1 . 1 1 54 54 ARG H H 52 8.956 8.956 8.136 0.820 18511
274 1 1 . 1 1 55 55 VAL N N 53 123.212 123.212 124.714 -1.502 18511
275 1 1 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.279 0.340 18511
276 1 1 . 1 1 55 55 VAL C C 53 175.124 175.124 174.978 0.146 18511
277 1 1 . 1 1 55 55 VAL CA C 53 61.092 61.092 61.615 -0.523 18511
278 1 1 . 1 1 55 55 VAL CB C 53 34.527 34.527 32.580 1.947 18511
279 1 1 . 1 1 55 55 VAL H H 53 8.511 8.511 8.628 -0.117 18511
280 1 1 . 1 1 56 56 GLN N N 54 126.653 126.653 129.051 -2.398 18511
281 1 1 . 1 1 56 56 GLN HA H 54 4.518 4.518 4.244 0.274 18511
282 1 1 . 1 1 56 56 GLN C C 54 176.296 176.296 175.835 0.461 18511
283 1 1 . 1 1 56 56 GLN CA C 54 55.022 55.022 56.056 -1.034 18511
284 1 1 . 1 1 56 56 GLN CB C 54 29.749 29.749 28.800 0.949 18511
285 1 1 . 1 1 56 56 GLN H H 54 8.509 8.509 8.052 0.457 18511
286 1 1 . 1 1 57 57 GLY N N 55 114.559 114.559 112.293 2.266 18511
287 1 1 . 1 1 57 57 GLY C C 55 174.585 174.585 173.420 1.165 18511
288 1 1 . 1 1 57 57 GLY CA C 55 47.319 47.319 44.891 2.429 18511
289 1 1 . 1 1 57 57 GLY H H 55 8.420 8.420 8.277 0.143 18511
290 1 1 . 1 1 58 58 ALA N N 56 122.793 122.793 124.450 -1.657 18511
291 1 1 . 1 1 58 58 ALA HA H 56 4.088 4.088 4.476 -0.388 18511
292 1 1 . 1 1 58 58 ALA C C 56 177.120 177.120 176.073 1.047 18511
293 1 1 . 1 1 58 58 ALA CA C 56 53.051 53.051 51.712 1.339 18511
294 1 1 . 1 1 58 58 ALA CB C 56 18.051 18.051 19.121 -1.070 18511
295 1 1 . 1 1 58 58 ALA H H 56 8.977 8.977 8.233 0.744 18511
296 1 1 . 1 1 59 59 ARG N N 57 122.118 122.118 125.461 -3.343 18511
297 1 1 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.689 0.062 18511
298 1 1 . 1 1 59 59 ARG C C 57 177.231 177.231 176.870 0.361 18511
299 1 1 . 1 1 59 59 ARG CA C 57 53.236 53.236 57.177 -3.941 18511
300 1 1 . 1 1 59 59 ARG CB C 57 33.526 33.526 31.759 1.767 18511
301 1 1 . 1 1 59 59 ARG H H 57 9.709 9.709 9.079 0.630 18511
302 1 1 . 1 1 61 61 GLY C C 59 174.202 174.202 175.298 -1.096 18511
303 1 1 . 1 1 61 61 GLY CA C 59 45.899 45.899 46.526 -0.627 18511
304 1 1 . 1 1 62 62 ASP N N 60 116.489 116.489 120.169 -3.680 18511
305 1 1 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.600 0.071 18511
306 1 1 . 1 1 62 62 ASP C C 60 176.692 176.692 175.460 1.232 18511
307 1 1 . 1 1 62 62 ASP CA C 60 54.854 54.854 55.277 -0.423 18511
308 1 1 . 1 1 62 62 ASP CB C 60 41.130 41.130 40.888 0.242 18511
309 1 1 . 1 1 62 62 ASP H H 60 8.300 8.300 8.169 0.131 18511
310 1 1 . 1 1 63 63 ALA N N 61 122.793 122.793 122.066 0.727 18511
311 1 1 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.422 -0.317 18511
312 1 1 . 1 1 63 63 ALA C C 61 176.581 176.581 176.527 0.054 18511
313 1 1 . 1 1 63 63 ALA CA C 61 52.732 52.732 52.404 0.328 18511
314 1 1 . 1 1 63 63 ALA CB C 61 19.806 19.806 19.628 0.178 18511
315 1 1 . 1 1 63 63 ALA H H 61 7.551 7.551 7.452 0.099 18511
316 1 1 . 1 1 64 64 GLY N N 62 108.029 108.029 111.769 -3.740 18511
317 1 1 . 1 1 64 64 GLY C C 62 171.274 171.274 172.543 -1.269 18511
318 1 1 . 1 1 64 64 GLY CA C 62 44.826 44.826 45.392 -0.566 18511
319 1 1 . 1 1 64 64 GLY H H 62 8.720 8.720 8.469 0.251 18511
320 1 1 . 1 1 65 65 GLU N N 63 122.343 122.343 120.949 1.394 18511
321 1 1 . 1 1 65 65 GLU HA H 63 5.134 5.134 5.418 -0.284 18511
322 1 1 . 1 1 65 65 GLU C C 63 175.900 175.900 176.418 -0.518 18511
323 1 1 . 1 1 65 65 GLU CA C 63 55.309 55.309 55.278 0.031 18511
324 1 1 . 1 1 65 65 GLU CB C 63 31.183 31.183 30.074 1.109 18511
325 1 1 . 1 1 65 65 GLU H H 63 9.038 9.038 8.525 0.513 18511
326 1 1 . 1 1 66 66 TYR N N 64 128.776 128.776 124.342 4.434 18511
327 1 1 . 1 1 66 66 TYR HA H 64 5.769 5.769 5.113 0.656 18511
328 1 1 . 1 1 66 66 TYR C C 64 174.157 174.157 175.871 -1.714 18511
329 1 1 . 1 1 66 66 TYR CA C 64 56.596 56.596 57.877 -1.281 18511
330 1 1 . 1 1 66 66 TYR CB C 64 40.857 40.857 40.869 -0.012 18511
331 1 1 . 1 1 66 66 TYR H H 64 9.984 9.984 8.978 1.006 18511
332 1 1 . 1 1 67 67 LEU N N 65 125.560 125.560 122.932 2.628 18511
333 1 1 . 1 1 67 67 LEU HA H 65 5.360 5.360 5.098 0.262 18511
334 1 1 . 1 1 67 67 LEU C C 65 174.617 174.617 175.622 -1.005 18511
335 1 1 . 1 1 67 67 LEU CA C 65 53.294 53.294 54.155 -0.861 18511
336 1 1 . 1 1 67 67 LEU CB C 65 46.296 46.296 44.571 1.725 18511
337 1 1 . 1 1 67 67 LEU H H 65 9.385 9.385 8.535 0.850 18511
338 1 1 . 1 1 68 68 CYS N N 66 127.135 127.135 128.777 -1.642 18511
339 1 1 . 1 1 68 68 CYS HA H 66 3.994 3.994 4.169 -0.175 18511
340 1 1 . 1 1 68 68 CYS C C 66 172.383 172.383 173.791 -1.408 18511
341 1 1 . 1 1 68 68 CYS CA C 66 57.828 57.828 57.048 0.780 18511
342 1 1 . 1 1 68 68 CYS CB C 66 26.535 26.535 26.968 -0.433 18511
343 1 1 . 1 1 68 68 CYS H H 66 9.102 9.102 8.938 0.164 18511
344 1 1 . 1 1 69 69 ASP N N 67 129.420 129.420 129.681 -0.261 18511
345 1 1 . 1 1 69 69 ASP HA H 67 4.953 4.953 4.686 0.267 18511
346 1 1 . 1 1 69 69 ASP C C 67 173.128 173.128 175.029 -1.901 18511
347 1 1 . 1 1 69 69 ASP CA C 67 53.459 53.459 53.486 -0.027 18511
348 1 1 . 1 1 69 69 ASP CB C 67 44.249 44.249 41.706 2.542 18511
349 1 1 . 1 1 69 69 ASP H H 67 9.296 9.296 8.433 0.863 18511
350 1 1 . 1 1 70 70 ALA N N 68 129.162 129.162 128.928 0.234 18511
351 1 1 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.599 0.455 18511
352 1 1 . 1 1 70 70 ALA C C 68 175.108 175.108 177.140 -2.032 18511
353 1 1 . 1 1 70 70 ALA CA C 68 49.404 49.404 49.679 -0.275 18511
354 1 1 . 1 1 70 70 ALA CB C 68 21.402 21.402 18.746 2.656 18511
355 1 1 . 1 1 70 70 ALA H H 68 8.179 8.179 7.668 0.511 18511
356 1 1 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.133 0.032 18511
357 1 1 . 1 1 71 71 PRO C C 69 177.840 177.840 177.091 0.749 18511
358 1 1 . 1 1 71 71 PRO CA C 69 65.906 65.906 65.097 0.809 18511
359 1 1 . 1 1 71 71 PRO CB C 69 31.744 31.744 31.937 -0.193 18511
360 1 1 . 1 1 72 72 GLN N N 70 113.851 113.851 113.614 0.237 18511
361 1 1 . 1 1 72 72 GLN HA H 70 4.363 4.363 4.483 -0.120 18511
362 1 1 . 1 1 72 72 GLN C C 70 174.744 174.744 175.401 -0.657 18511
363 1 1 . 1 1 72 72 GLN CA C 70 55.239 55.239 55.655 -0.416 18511
364 1 1 . 1 1 72 72 GLN CB C 70 29.355 29.355 29.471 -0.116 18511
365 1 1 . 1 1 72 72 GLN H H 70 9.053 9.053 8.243 0.810 18511
366 1 1 . 1 1 73 73 ASP N N 71 118.081 118.081 120.772 -2.691 18511
367 1 1 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.702 0.121 18511
368 1 1 . 1 1 73 73 ASP C C 71 173.017 173.017 174.595 -1.578 18511
369 1 1 . 1 1 73 73 ASP CA C 71 53.992 53.992 54.611 -0.619 18511
370 1 1 . 1 1 73 73 ASP CB C 71 44.449 44.449 41.881 2.568 18511
371 1 1 . 1 1 73 73 ASP H H 71 7.336 7.336 7.647 -0.311 18511
372 1 1 . 1 1 74 74 SER N N 72 114.356 114.356 116.594 -2.238 18511
373 1 1 . 1 1 74 74 SER HA H 72 5.209 5.209 4.640 0.569 18511
374 1 1 . 1 1 74 74 SER C C 72 174.189 174.189 174.554 -0.365 18511
375 1 1 . 1 1 74 74 SER CA C 72 57.604 57.604 59.017 -1.413 18511
376 1 1 . 1 1 74 74 SER CB C 72 64.697 64.697 63.497 1.200 18511
377 1 1 . 1 1 74 74 SER H H 72 8.161 8.161 8.272 -0.111 18511
378 1 1 . 1 1 75 75 ARG N N 73 122.793 122.793 127.924 -5.131 18511
379 1 1 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.667 0.029 18511
380 1 1 . 1 1 75 75 ARG C C 73 173.460 173.460 174.517 -1.057 18511
381 1 1 . 1 1 75 75 ARG CA C 73 53.404 53.404 54.507 -1.103 18511
382 1 1 . 1 1 75 75 ARG CB C 73 33.600 33.600 33.787 -0.187 18511
383 1 1 . 1 1 75 75 ARG H H 73 8.592 8.592 8.399 0.193 18511
384 1 1 . 1 1 76 76 ILE N N 74 122.343 122.343 121.778 0.565 18511
385 1 1 . 1 1 76 76 ILE HA H 74 5.154 5.154 4.685 0.469 18511
386 1 1 . 1 1 76 76 ILE C C 74 175.266 175.266 175.498 -0.232 18511
387 1 1 . 1 1 76 76 ILE CA C 74 59.620 59.620 60.355 -0.735 18511
388 1 1 . 1 1 76 76 ILE CB C 74 40.889 40.889 39.178 1.711 18511
389 1 1 . 1 1 76 76 ILE H H 74 8.262 8.262 8.578 -0.316 18511
390 1 1 . 1 1 77 77 PHE N N 75 126.428 126.428 125.755 0.673 18511
391 1 1 . 1 1 77 77 PHE HA H 75 5.524 5.524 5.196 0.328 18511
392 1 1 . 1 1 77 77 PHE C C 75 174.680 174.680 175.561 -0.881 18511
393 1 1 . 1 1 77 77 PHE CA C 75 55.570 55.570 56.382 -0.812 18511
394 1 1 . 1 1 77 77 PHE CB C 75 42.186 42.186 40.360 1.826 18511
395 1 1 . 1 1 77 77 PHE H H 75 9.932 9.932 9.144 0.788 18511
396 1 1 . 1 1 78 78 LEU N N 76 126.068 126.068 127.029 -0.961 18511
397 1 1 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.434 0.690 18511
398 1 1 . 1 1 78 78 LEU C C 76 176.138 176.138 175.696 0.442 18511
399 1 1 . 1 1 78 78 LEU CA C 76 53.799 53.799 54.770 -0.971 18511
400 1 1 . 1 1 78 78 LEU CB C 76 41.851 41.851 41.517 0.334 18511
401 1 1 . 1 1 78 78 LEU H H 76 9.091 9.091 8.918 0.173 18511
402 1 1 . 1 1 79 79 VAL N N 77 129.130 129.130 125.624 3.506 18511
403 1 1 . 1 1 79 79 VAL HA H 77 5.109 5.109 5.004 0.105 18511
404 1 1 . 1 1 79 79 VAL C C 77 176.597 176.597 175.385 1.212 18511
405 1 1 . 1 1 79 79 VAL CA C 77 61.384 61.384 61.162 0.222 18511
406 1 1 . 1 1 79 79 VAL CB C 77 33.846 33.846 32.154 1.692 18511
407 1 1 . 1 1 79 79 VAL H H 77 9.408 9.408 8.071 1.337 18511
408 1 1 . 1 1 80 80 SER N N 78 124.016 124.016 122.891 1.125 18511
409 1 1 . 1 1 80 80 SER HA H 78 4.908 4.908 4.820 0.088 18511
410 1 1 . 1 1 80 80 SER C C 78 172.431 172.431 173.052 -0.621 18511
411 1 1 . 1 1 80 80 SER CA C 78 56.344 56.344 56.056 0.288 18511
412 1 1 . 1 1 80 80 SER CB C 78 65.164 65.164 64.581 0.584 18511
413 1 1 . 1 1 80 80 SER H H 78 9.125 9.125 8.201 0.924 18511
414 1 1 . 1 1 81 81 VAL N N 79 124.402 124.402 129.062 -4.660 18511
415 1 1 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.194 0.341 18511
416 1 1 . 1 1 81 81 VAL C C 79 174.744 174.744 175.401 -0.657 18511
417 1 1 . 1 1 81 81 VAL CA C 79 61.028 61.028 62.787 -1.759 18511
418 1 1 . 1 1 81 81 VAL CB C 79 32.741 32.741 31.202 1.539 18511
419 1 1 . 1 1 81 81 VAL H H 79 8.638 8.638 8.882 -0.244 18511
420 1 1 . 1 1 82 82 GLU N N 80 124.145 124.145 126.569 -2.424 18511
421 1 1 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.646 -0.085 18511
422 1 1 . 1 1 82 82 GLU C C 80 174.839 174.839 175.290 -0.451 18511
423 1 1 . 1 1 82 82 GLU CA C 80 54.664 54.664 53.593 1.071 18511
424 1 1 . 1 1 82 82 GLU CB C 80 32.237 32.237 32.733 -0.496 18511
425 1 1 . 1 1 82 82 GLU H H 80 8.281 8.281 8.616 -0.335 18511
426 1 1 . 1 1 83 83 GLU N N 81 123.244 123.244 118.273 4.971 18511
427 1 1 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.073 0.366 18511
428 1 1 . 1 1 83 83 GLU C C 81 173.841 173.841 174.567 -0.726 18511
429 1 1 . 1 1 83 83 GLU CA C 81 54.611 54.611 55.738 -1.127 18511
430 1 1 . 1 1 83 83 GLU CB C 81 29.046 29.046 29.651 -0.605 18511
431 1 1 . 1 1 83 83 GLU H H 81 8.656 8.656 8.858 -0.202 18511
432 1 2 . 1 1 4 4 THR N N 2 121.282 121.282 121.203 0.079 18511
433 1 2 . 1 1 4 4 THR HA H 2 4.463 4.463 4.231 0.232 18511
434 1 2 . 1 1 4 4 THR C C 2 173.255 173.255 173.357 -0.102 18511
435 1 2 . 1 1 4 4 THR CA C 2 62.056 62.056 62.134 -0.078 18511
436 1 2 . 1 1 4 4 THR CB C 2 70.955 70.955 68.088 2.867 18511
437 1 2 . 1 1 4 4 THR H H 2 8.319 8.319 8.392 -0.073 18511
438 1 2 . 1 1 5 5 ARG N N 3 127.535 127.535 126.376 1.159 18511
439 1 2 . 1 1 5 5 ARG HA H 3 5.083 5.083 4.411 0.672 18511
440 1 2 . 1 1 5 5 ARG C C 3 175.694 175.694 175.495 0.199 18511
441 1 2 . 1 1 5 5 ARG CA C 3 55.236 55.236 55.445 -0.209 18511
442 1 2 . 1 1 5 5 ARG CB C 3 30.776 30.776 31.725 -0.949 18511
443 1 2 . 1 1 5 5 ARG H H 3 8.958 8.958 8.163 0.795 18511
444 1 2 . 1 1 6 6 VAL N N 4 125.495 125.495 122.357 3.138 18511
445 1 2 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.365 -0.033 18511
446 1 2 . 1 1 6 6 VAL C C 4 173.365 173.365 174.398 -1.033 18511
447 1 2 . 1 1 6 6 VAL CA C 4 61.473 61.473 60.955 0.518 18511
448 1 2 . 1 1 6 6 VAL CB C 4 35.854 35.854 35.365 0.489 18511
449 1 2 . 1 1 6 6 VAL H H 4 8.812 8.812 8.104 0.708 18511
450 1 2 . 1 1 7 7 ARG N N 5 127.554 127.554 127.555 -0.001 18511
451 1 2 . 1 1 7 7 ARG HA H 5 5.175 5.175 4.702 0.473 18511
452 1 2 . 1 1 7 7 ARG C C 5 175.694 175.694 175.046 0.648 18511
453 1 2 . 1 1 7 7 ARG CA C 5 54.373 54.373 55.584 -1.211 18511
454 1 2 . 1 1 7 7 ARG CB C 5 31.679 31.679 31.690 -0.011 18511
455 1 2 . 1 1 7 7 ARG H H 5 8.712 8.712 8.627 0.085 18511
456 1 2 . 1 1 8 8 SER N N 6 120.281 120.281 121.425 -1.144 18511
457 1 2 . 1 1 8 8 SER HA H 6 4.762 4.762 4.828 -0.066 18511
458 1 2 . 1 1 8 8 SER C C 6 173.555 173.555 173.542 0.013 18511
459 1 2 . 1 1 8 8 SER CA C 6 56.428 56.428 56.911 -0.483 18511
460 1 2 . 1 1 8 8 SER CB C 6 65.450 65.450 65.511 -0.061 18511
461 1 2 . 1 1 8 8 SER H H 6 8.669 8.669 8.735 -0.066 18511
462 1 2 . 1 1 9 9 THR N N 7 117.885 117.885 114.238 3.647 18511
463 1 2 . 1 1 9 9 THR HA H 7 4.847 4.847 5.002 -0.155 18511
464 1 2 . 1 1 9 9 THR C C 7 172.748 172.748 173.943 -1.195 18511
465 1 2 . 1 1 9 9 THR CA C 7 59.436 59.436 58.934 0.502 18511
466 1 2 . 1 1 9 9 THR CB C 7 69.938 69.938 68.926 1.012 18511
467 1 2 . 1 1 9 9 THR H H 7 8.362 8.362 8.487 -0.125 18511
468 1 2 . 1 1 10 10 PRO HA H 8 4.060 4.060 4.859 -0.799 18511
469 1 2 . 1 1 10 10 PRO C C 8 177.966 177.966 176.060 1.906 18511
470 1 2 . 1 1 10 10 PRO CA C 8 63.484 63.484 62.561 0.923 18511
471 1 2 . 1 1 10 10 PRO CB C 8 30.986 30.986 30.300 0.686 18511
472 1 2 . 1 1 11 11 GLY N N 9 114.800 114.800 105.942 8.858 18511
473 1 2 . 1 1 11 11 GLY C C 9 174.870 174.870 174.019 0.851 18511
474 1 2 . 1 1 11 11 GLY CA C 9 45.147 45.147 45.355 -0.208 18511
475 1 2 . 1 1 11 11 GLY H H 9 9.824 9.824 7.655 2.169 18511
476 1 2 . 1 1 12 12 GLY N N 10 109.721 109.721 108.183 1.538 18511
477 1 2 . 1 1 12 12 GLY C C 10 171.924 171.924 172.087 -0.163 18511
478 1 2 . 1 1 12 12 GLY CA C 10 43.913 43.913 45.338 -1.425 18511
479 1 2 . 1 1 12 12 GLY H H 10 8.172 8.172 7.422 0.750 18511
480 1 2 . 1 1 13 13 ASP N N 11 119.275 119.275 119.691 -0.416 18511
481 1 2 . 1 1 13 13 ASP HA H 11 5.316 5.316 4.744 0.572 18511
482 1 2 . 1 1 13 13 ASP C C 11 176.185 176.185 175.712 0.473 18511
483 1 2 . 1 1 13 13 ASP CA C 11 53.404 53.404 53.755 -0.351 18511
484 1 2 . 1 1 13 13 ASP CB C 11 41.309 41.309 41.813 -0.504 18511
485 1 2 . 1 1 13 13 ASP H H 11 8.442 8.442 8.364 0.078 18511
486 1 2 . 1 1 14 14 LEU N N 12 125.431 125.431 123.259 2.172 18511
487 1 2 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.325 0.101 18511
488 1 2 . 1 1 14 14 LEU C C 12 174.934 174.934 175.347 -0.413 18511
489 1 2 . 1 1 14 14 LEU CA C 12 53.697 53.697 54.513 -0.816 18511
490 1 2 . 1 1 14 14 LEU CB C 12 44.170 44.170 42.570 1.600 18511
491 1 2 . 1 1 14 14 LEU H H 12 8.889 8.889 8.172 0.717 18511
492 1 2 . 1 1 15 15 GLU N N 13 126.203 126.203 128.406 -2.203 18511
493 1 2 . 1 1 15 15 GLU HA H 13 4.901 4.901 5.113 -0.212 18511
494 1 2 . 1 1 15 15 GLU C C 13 173.555 173.555 175.525 -1.970 18511
495 1 2 . 1 1 15 15 GLU CA C 13 55.168 55.168 54.288 0.880 18511
496 1 2 . 1 1 15 15 GLU CB C 13 32.489 32.489 30.949 1.540 18511
497 1 2 . 1 1 15 15 GLU H H 13 8.469 8.469 8.479 -0.010 18511
498 1 2 . 1 1 16 16 LEU N N 14 127.480 127.480 129.501 -2.021 18511
499 1 2 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.587 -0.365 18511
500 1 2 . 1 1 16 16 LEU C C 14 174.221 174.221 175.783 -1.562 18511
501 1 2 . 1 1 16 16 LEU CA C 14 52.900 52.900 54.001 -1.101 18511
502 1 2 . 1 1 16 16 LEU CB C 14 40.861 40.861 42.113 -1.252 18511
503 1 2 . 1 1 16 16 LEU H H 14 9.082 9.082 8.543 0.539 18511
504 1 2 . 1 1 17 17 VAL N N 15 122.038 122.038 126.756 -4.718 18511
505 1 2 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.338 0.423 18511
506 1 2 . 1 1 17 17 VAL C C 15 175.330 175.330 175.696 -0.366 18511
507 1 2 . 1 1 17 17 VAL CA C 15 61.468 61.468 62.076 -0.608 18511
508 1 2 . 1 1 17 17 VAL CB C 15 33.749 33.749 32.019 1.730 18511
509 1 2 . 1 1 17 17 VAL H H 15 8.105 8.105 8.494 -0.389 18511
510 1 2 . 1 1 18 18 VAL N N 16 127.741 127.741 125.993 1.748 18511
511 1 2 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.534 -0.249 18511
512 1 2 . 1 1 18 18 VAL C C 16 173.555 173.555 176.032 -2.477 18511
513 1 2 . 1 1 18 18 VAL CA C 16 61.020 61.020 60.809 0.211 18511
514 1 2 . 1 1 18 18 VAL CB C 16 35.604 35.604 33.801 1.802 18511
515 1 2 . 1 1 18 18 VAL H H 16 9.335 9.335 8.445 0.890 18511
516 1 2 . 1 1 19 19 HIS N N 17 126.695 126.695 121.574 5.121 18511
517 1 2 . 1 1 19 19 HIS HA H 17 5.023 5.023 4.703 0.320 18511
518 1 2 . 1 1 19 19 HIS C C 17 175.710 175.710 175.073 0.637 18511
519 1 2 . 1 1 19 19 HIS CA C 17 55.225 55.225 55.495 -0.270 18511
520 1 2 . 1 1 19 19 HIS CB C 17 30.418 30.418 29.856 0.562 18511
521 1 2 . 1 1 19 19 HIS H H 17 8.710 8.710 8.676 0.034 18511
522 1 2 . 1 1 20 20 LEU N N 18 124.981 124.981 123.453 1.528 18511
523 1 2 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.234 0.077 18511
524 1 2 . 1 1 20 20 LEU C C 18 177.357 177.357 176.683 0.674 18511
525 1 2 . 1 1 20 20 LEU CA C 18 54.162 54.162 55.148 -0.986 18511
526 1 2 . 1 1 20 20 LEU CB C 18 43.005 43.005 41.317 1.688 18511
527 1 2 . 1 1 20 20 LEU H H 18 8.941 8.941 8.028 0.913 18511
528 1 2 . 1 1 21 21 SER N N 19 116.428 116.428 120.417 -3.989 18511
529 1 2 . 1 1 21 21 SER HA H 19 4.280 4.280 4.354 -0.074 18511
530 1 2 . 1 1 21 21 SER C C 19 174.348 174.348 174.728 -0.380 18511
531 1 2 . 1 1 21 21 SER CA C 19 59.696 59.696 58.411 1.284 18511
532 1 2 . 1 1 21 21 SER CB C 19 63.364 63.364 62.432 0.932 18511
533 1 2 . 1 1 21 21 SER H H 19 9.513 9.513 8.279 1.234 18511
534 1 2 . 1 1 22 22 GLY N N 20 107.975 107.975 114.345 -6.370 18511
535 1 2 . 1 1 22 22 GLY C C 20 171.306 171.306 173.021 -1.715 18511
536 1 2 . 1 1 22 22 GLY CA C 20 44.193 44.193 43.412 0.781 18511
537 1 2 . 1 1 22 22 GLY H H 20 7.532 7.532 7.734 -0.202 18511
538 1 2 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.433 -0.070 18511
539 1 2 . 1 1 23 23 PRO C C 21 177.141 177.141 176.907 0.234 18511
540 1 2 . 1 1 23 23 PRO CA C 21 63.096 63.096 62.606 0.490 18511
541 1 2 . 1 1 23 23 PRO CB C 21 32.105 32.105 31.352 0.753 18511
542 1 2 . 1 1 24 24 GLY N N 22 107.827 107.827 109.031 -1.204 18511
543 1 2 . 1 1 24 24 GLY C C 22 173.270 173.270 175.621 -2.351 18511
544 1 2 . 1 1 24 24 GLY CA C 22 45.013 45.013 45.276 -0.263 18511
545 1 2 . 1 1 24 24 GLY H H 22 8.264 8.264 8.146 0.118 18511
546 1 2 . 1 1 25 25 GLY N N 23 108.700 108.700 109.940 -1.240 18511
547 1 2 . 1 1 25 25 GLY C C 23 170.292 170.292 174.299 -4.007 18511
548 1 2 . 1 1 25 25 GLY CA C 23 43.573 43.573 45.674 -2.101 18511
549 1 2 . 1 1 25 25 GLY H H 23 7.797 7.797 8.759 -0.962 18511
550 1 2 . 1 1 26 26 PRO HA H 24 4.574 4.574 4.505 0.069 18511
551 1 2 . 1 1 26 26 PRO C C 24 175.331 175.331 175.939 -0.608 18511
552 1 2 . 1 1 26 26 PRO CA C 24 62.105 62.105 62.041 0.064 18511
553 1 2 . 1 1 26 26 PRO CB C 24 34.842 34.842 33.427 1.415 18511
554 1 2 . 1 1 27 27 VAL N N 25 121.565 121.565 118.979 2.586 18511
555 1 2 . 1 1 27 27 VAL HA H 25 4.662 4.662 3.923 0.739 18511
556 1 2 . 1 1 27 27 VAL C C 25 175.742 175.742 175.824 -0.082 18511
557 1 2 . 1 1 27 27 VAL CA C 25 61.384 61.384 61.954 -0.570 18511
558 1 2 . 1 1 27 27 VAL CB C 25 32.971 32.971 32.789 0.182 18511
559 1 2 . 1 1 27 27 VAL H H 25 8.579 8.579 8.164 0.415 18511
560 1 2 . 1 1 28 28 ARG N N 26 127.876 127.876 123.858 4.018 18511
561 1 2 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.505 0.077 18511
562 1 2 . 1 1 28 28 ARG C C 26 173.144 173.144 174.512 -1.368 18511
563 1 2 . 1 1 28 28 ARG CA C 26 54.861 54.861 54.948 -0.087 18511
564 1 2 . 1 1 28 28 ARG CB C 26 34.589 34.589 32.810 1.779 18511
565 1 2 . 1 1 28 28 ARG H H 26 8.856 8.856 8.219 0.637 18511
566 1 2 . 1 1 29 29 TRP N N 27 121.571 121.571 118.136 3.435 18511
567 1 2 . 1 1 29 29 TRP HA H 27 5.986 5.986 5.343 0.643 18511
568 1 2 . 1 1 29 29 TRP C C 27 175.932 175.932 175.598 0.334 18511
569 1 2 . 1 1 29 29 TRP CA C 27 55.504 55.504 55.765 -0.261 18511
570 1 2 . 1 1 29 29 TRP CB C 27 32.584 32.584 32.907 -0.323 18511
571 1 2 . 1 1 29 29 TRP H H 27 8.858 8.858 8.441 0.417 18511
572 1 2 . 1 1 30 30 TYR N N 28 118.451 118.451 121.607 -3.156 18511
573 1 2 . 1 1 30 30 TYR HA H 28 5.332 5.332 4.860 0.472 18511
574 1 2 . 1 1 30 30 TYR C C 28 175.108 175.108 174.160 0.948 18511
575 1 2 . 1 1 30 30 TYR CA C 28 55.924 55.924 57.290 -1.366 18511
576 1 2 . 1 1 30 30 TYR CB C 28 43.194 43.194 41.782 1.412 18511
577 1 2 . 1 1 30 30 TYR H H 28 9.605 9.605 8.860 0.745 18511
578 1 2 . 1 1 31 31 LYS N N 29 120.638 120.638 123.278 -2.640 18511
579 1 2 . 1 1 31 31 LYS HA H 29 4.790 4.790 4.851 -0.061 18511
580 1 2 . 1 1 31 31 LYS C C 29 176.565 176.565 176.721 -0.156 18511
581 1 2 . 1 1 31 31 LYS CA C 29 54.496 54.496 53.725 0.770 18511
582 1 2 . 1 1 31 31 LYS CB C 29 35.345 35.345 34.752 0.593 18511
583 1 2 . 1 1 31 31 LYS H H 29 9.055 9.055 8.709 0.346 18511
584 1 2 . 1 1 32 32 ASP N N 30 131.009 131.009 127.325 3.684 18511
585 1 2 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.296 0.150 18511
586 1 2 . 1 1 32 32 ASP C C 30 176.344 176.344 176.192 0.152 18511
587 1 2 . 1 1 32 32 ASP CA C 30 55.846 55.846 55.550 0.296 18511
588 1 2 . 1 1 32 32 ASP CB C 30 40.289 40.289 39.547 0.742 18511
589 1 2 . 1 1 32 32 ASP H H 30 10.006 10.006 9.239 0.767 18511
590 1 2 . 1 1 33 33 GLY N N 31 102.658 102.658 104.923 -2.265 18511
591 1 2 . 1 1 33 33 GLY C C 31 173.809 173.809 173.560 0.249 18511
592 1 2 . 1 1 33 33 GLY CA C 31 45.127 45.127 45.168 -0.041 18511
593 1 2 . 1 1 33 33 GLY H H 31 8.903 8.903 8.770 0.133 18511
594 1 2 . 1 1 34 34 GLU N N 32 121.796 121.796 120.796 1.000 18511
595 1 2 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.776 -0.034 18511
596 1 2 . 1 1 34 34 GLU C C 32 175.789 175.789 175.307 0.482 18511
597 1 2 . 1 1 34 34 GLU CA C 32 54.496 54.496 54.444 0.051 18511
598 1 2 . 1 1 34 34 GLU CB C 32 31.161 31.161 31.971 -0.810 18511
599 1 2 . 1 1 34 34 GLU H H 32 8.152 8.152 7.912 0.240 18511
600 1 2 . 1 1 35 35 ARG N N 33 126.589 126.589 125.490 1.099 18511
601 1 2 . 1 1 35 35 ARG HA H 33 3.927 3.927 4.212 -0.285 18511
602 1 2 . 1 1 35 35 ARG C C 33 176.296 176.296 175.158 1.138 18511
603 1 2 . 1 1 35 35 ARG CA C 33 56.344 56.344 55.630 0.714 18511
604 1 2 . 1 1 35 35 ARG CB C 33 29.803 29.803 30.090 -0.287 18511
605 1 2 . 1 1 35 35 ARG H H 33 8.928 8.928 8.644 0.284 18511
606 1 2 . 1 1 36 36 LEU N N 34 127.490 127.490 123.286 4.204 18511
607 1 2 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.473 0.124 18511
608 1 2 . 1 1 36 36 LEU C C 34 175.361 175.361 175.816 -0.455 18511
609 1 2 . 1 1 36 36 LEU CA C 34 53.656 53.656 53.875 -0.219 18511
610 1 2 . 1 1 36 36 LEU CB C 34 44.501 44.501 42.489 2.012 18511
611 1 2 . 1 1 36 36 LEU H H 34 8.668 8.668 7.944 0.724 18511
612 1 2 . 1 1 37 37 ALA N N 35 124.016 124.016 123.033 0.983 18511
613 1 2 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.561 -0.012 18511
614 1 2 . 1 1 37 37 ALA C C 35 175.757 175.757 177.463 -1.706 18511
615 1 2 . 1 1 37 37 ALA CA C 35 50.039 50.039 51.085 -1.046 18511
616 1 2 . 1 1 37 37 ALA CB C 35 21.822 21.822 21.173 0.649 18511
617 1 2 . 1 1 37 37 ALA H H 35 8.177 8.177 8.089 0.088 18511
618 1 2 . 1 1 38 38 SER N N 36 114.574 114.574 116.614 -2.040 18511
619 1 2 . 1 1 38 38 SER HA H 36 4.440 4.440 4.438 0.002 18511
620 1 2 . 1 1 38 38 SER C C 36 174.005 174.005 174.488 -0.483 18511
621 1 2 . 1 1 38 38 SER CA C 36 57.610 57.610 58.395 -0.785 18511
622 1 2 . 1 1 38 38 SER CB C 36 62.056 62.056 62.700 -0.644 18511
623 1 2 . 1 1 38 38 SER H H 36 8.444 8.444 8.785 -0.341 18511
624 1 2 . 1 1 39 39 GLN N N 37 126.057 126.057 120.965 5.092 18511
625 1 2 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.507 -0.055 18511
626 1 2 . 1 1 39 39 GLN C C 37 175.599 175.599 176.667 -1.068 18511
627 1 2 . 1 1 39 39 GLN CA C 37 55.433 55.433 54.970 0.463 18511
628 1 2 . 1 1 39 39 GLN CB C 37 29.970 29.970 30.119 -0.149 18511
629 1 2 . 1 1 39 39 GLN H H 37 8.477 8.477 7.371 1.106 18511
630 1 2 . 1 1 41 41 ARG HA H 39 4.228 4.228 4.092 0.136 18511
631 1 2 . 1 1 41 41 ARG C C 39 174.776 174.776 176.087 -1.311 18511
632 1 2 . 1 1 41 41 ARG CA C 39 57.143 57.143 57.814 -0.671 18511
633 1 2 . 1 1 41 41 ARG CB C 39 30.504 30.504 30.728 -0.224 18511
634 1 2 . 1 1 42 42 VAL N N 40 119.931 119.931 115.744 4.187 18511
635 1 2 . 1 1 42 42 VAL HA H 40 4.602 4.602 5.027 -0.425 18511
636 1 2 . 1 1 42 42 VAL C C 40 174.854 174.854 175.345 -0.491 18511
637 1 2 . 1 1 42 42 VAL CA C 40 61.663 61.663 60.421 1.242 18511
638 1 2 . 1 1 42 42 VAL CB C 40 32.800 32.800 34.232 -1.432 18511
639 1 2 . 1 1 42 42 VAL H H 40 7.662 7.662 7.295 0.367 18511
640 1 2 . 1 1 43 43 GLN N N 41 125.689 125.689 124.778 0.911 18511
641 1 2 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.636 -0.105 18511
642 1 2 . 1 1 43 43 GLN C C 41 173.952 173.952 174.155 -0.203 18511
643 1 2 . 1 1 43 43 GLN CA C 41 53.656 53.656 54.169 -0.513 18511
644 1 2 . 1 1 43 43 GLN CB C 41 31.817 31.817 31.875 -0.058 18511
645 1 2 . 1 1 43 43 GLN H H 41 8.937 8.937 8.465 0.472 18511
646 1 2 . 1 1 44 44 LEU N N 42 123.562 123.562 123.838 -0.276 18511
647 1 2 . 1 1 44 44 LEU HA H 42 4.984 4.984 5.495 -0.511 18511
648 1 2 . 1 1 44 44 LEU C C 42 176.565 176.565 176.548 0.017 18511
649 1 2 . 1 1 44 44 LEU CA C 42 52.931 52.931 52.590 0.341 18511
650 1 2 . 1 1 44 44 LEU CB C 42 42.474 42.474 44.901 -2.427 18511
651 1 2 . 1 1 44 44 LEU H H 42 8.231 8.231 8.442 -0.211 18511
652 1 2 . 1 1 45 45 GLU N N 43 124.016 124.016 122.397 1.619 18511
653 1 2 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.595 0.061 18511
654 1 2 . 1 1 45 45 GLU C C 43 175.346 175.346 175.387 -0.041 18511
655 1 2 . 1 1 45 45 GLU CA C 43 54.723 54.723 54.938 -0.215 18511
656 1 2 . 1 1 45 45 GLU CB C 43 32.841 32.841 32.133 0.709 18511
657 1 2 . 1 1 45 45 GLU H H 43 9.309 9.309 8.244 1.065 18511
658 1 2 . 1 1 46 46 GLN N N 44 125.220 125.220 124.833 0.387 18511
659 1 2 . 1 1 46 46 GLN HA H 44 4.928 4.928 4.861 0.067 18511
660 1 2 . 1 1 46 46 GLN C C 44 174.332 174.332 175.000 -0.668 18511
661 1 2 . 1 1 46 46 GLN CA C 44 54.832 54.832 55.069 -0.237 18511
662 1 2 . 1 1 46 46 GLN CB C 44 30.726 30.726 29.370 1.356 18511
663 1 2 . 1 1 46 46 GLN H H 44 8.825 8.825 8.784 0.041 18511
664 1 2 . 1 1 47 47 ALA N N 45 129.999 129.999 127.886 2.113 18511
665 1 2 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.788 -0.116 18511
666 1 2 . 1 1 47 47 ALA C C 45 177.056 177.056 177.336 -0.280 18511
667 1 2 . 1 1 47 47 ALA CA C 45 50.716 50.716 50.825 -0.109 18511
668 1 2 . 1 1 47 47 ALA CB C 45 18.798 18.798 20.675 -1.877 18511
669 1 2 . 1 1 47 47 ALA H H 45 8.636 8.636 8.213 0.423 18511
670 1 2 . 1 1 48 48 GLY CA C 46 46.885 46.885 46.693 0.192 18511
671 1 2 . 1 1 49 49 ALA HA H 47 4.183 4.183 4.959 -0.776 18511
672 1 2 . 1 1 49 49 ALA C C 47 176.586 176.586 177.082 -0.496 18511
673 1 2 . 1 1 49 49 ALA CA C 47 53.068 53.068 52.078 0.990 18511
674 1 2 . 1 1 49 49 ALA CB C 47 18.714 18.714 19.944 -1.230 18511
675 1 2 . 1 1 50 50 ARG N N 48 119.282 119.282 122.321 -3.039 18511
676 1 2 . 1 1 50 50 ARG HA H 48 4.635 4.635 4.778 -0.143 18511
677 1 2 . 1 1 50 50 ARG C C 48 174.348 174.348 175.409 -1.061 18511
678 1 2 . 1 1 50 50 ARG CA C 48 55.672 55.672 55.266 0.406 18511
679 1 2 . 1 1 50 50 ARG CB C 48 31.413 31.413 30.098 1.315 18511
680 1 2 . 1 1 50 50 ARG H H 48 7.725 7.725 8.218 -0.493 18511
681 1 2 . 1 1 51 51 GLN N N 49 125.499 125.499 125.008 0.491 18511
682 1 2 . 1 1 51 51 GLN HA H 49 4.961 4.961 4.774 0.187 18511
683 1 2 . 1 1 51 51 GLN C C 49 174.427 174.427 175.032 -0.605 18511
684 1 2 . 1 1 51 51 GLN CA C 49 53.404 53.404 53.868 -0.464 18511
685 1 2 . 1 1 51 51 GLN CB C 49 30.133 30.133 30.277 -0.144 18511
686 1 2 . 1 1 51 51 GLN H H 49 9.086 9.086 7.976 1.110 18511
687 1 2 . 1 1 52 52 VAL N N 50 121.957 121.957 124.928 -2.971 18511
688 1 2 . 1 1 52 52 VAL HA H 50 5.185 5.185 4.889 0.296 18511
689 1 2 . 1 1 52 52 VAL C C 50 173.714 173.714 174.147 -0.433 18511
690 1 2 . 1 1 52 52 VAL CA C 50 60.314 60.314 60.682 -0.368 18511
691 1 2 . 1 1 52 52 VAL CB C 50 36.154 36.154 33.161 2.993 18511
692 1 2 . 1 1 52 52 VAL H H 50 8.687 8.687 8.200 0.487 18511
693 1 2 . 1 1 53 53 LEU N N 51 129.580 129.580 129.347 0.233 18511
694 1 2 . 1 1 53 53 LEU HA H 51 4.389 4.389 4.254 0.135 18511
695 1 2 . 1 1 53 53 LEU C C 51 174.427 174.427 174.529 -0.102 18511
696 1 2 . 1 1 53 53 LEU CA C 51 53.536 53.536 53.098 0.438 18511
697 1 2 . 1 1 53 53 LEU CB C 51 42.056 42.056 42.433 -0.377 18511
698 1 2 . 1 1 53 53 LEU H H 51 8.380 8.380 8.002 0.378 18511
699 1 2 . 1 1 54 54 ARG N N 52 125.706 125.706 126.139 -0.433 18511
700 1 2 . 1 1 54 54 ARG HA H 52 5.255 5.255 4.976 0.279 18511
701 1 2 . 1 1 54 54 ARG C C 52 174.981 174.981 174.891 0.090 18511
702 1 2 . 1 1 54 54 ARG CA C 52 53.992 53.992 54.313 -0.321 18511
703 1 2 . 1 1 54 54 ARG CB C 52 33.497 33.497 32.328 1.169 18511
704 1 2 . 1 1 54 54 ARG H H 52 8.956 8.956 8.240 0.716 18511
705 1 2 . 1 1 55 55 VAL N N 53 123.212 123.212 126.042 -2.830 18511
706 1 2 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.151 0.468 18511
707 1 2 . 1 1 55 55 VAL C C 53 175.124 175.124 175.330 -0.206 18511
708 1 2 . 1 1 55 55 VAL CA C 53 61.092 61.092 61.784 -0.692 18511
709 1 2 . 1 1 55 55 VAL CB C 53 34.527 34.527 31.643 2.884 18511
710 1 2 . 1 1 55 55 VAL H H 53 8.511 8.511 8.375 0.136 18511
711 1 2 . 1 1 56 56 GLN N N 54 126.653 126.653 128.864 -2.211 18511
712 1 2 . 1 1 56 56 GLN HA H 54 4.518 4.518 4.260 0.258 18511
713 1 2 . 1 1 56 56 GLN C C 54 176.296 176.296 176.285 0.011 18511
714 1 2 . 1 1 56 56 GLN CA C 54 55.022 55.022 56.290 -1.268 18511
715 1 2 . 1 1 56 56 GLN CB C 54 29.749 29.749 28.330 1.419 18511
716 1 2 . 1 1 56 56 GLN H H 54 8.509 8.509 8.312 0.197 18511
717 1 2 . 1 1 57 57 GLY N N 55 114.559 114.559 111.919 2.640 18511
718 1 2 . 1 1 57 57 GLY C C 55 174.585 174.585 173.043 1.542 18511
719 1 2 . 1 1 57 57 GLY CA C 55 47.319 47.319 44.465 2.854 18511
720 1 2 . 1 1 57 57 GLY H H 55 8.420 8.420 8.578 -0.158 18511
721 1 2 . 1 1 58 58 ALA N N 56 122.793 122.793 122.135 0.658 18511
722 1 2 . 1 1 58 58 ALA HA H 56 4.088 4.088 4.620 -0.532 18511
723 1 2 . 1 1 58 58 ALA C C 56 177.120 177.120 175.641 1.479 18511
724 1 2 . 1 1 58 58 ALA CA C 56 53.051 53.051 52.450 0.600 18511
725 1 2 . 1 1 58 58 ALA CB C 56 18.051 18.051 19.301 -1.250 18511
726 1 2 . 1 1 58 58 ALA H H 56 8.977 8.977 7.726 1.251 18511
727 1 2 . 1 1 59 59 ARG N N 57 122.118 122.118 124.021 -1.903 18511
728 1 2 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.440 0.311 18511
729 1 2 . 1 1 59 59 ARG C C 57 177.231 177.231 176.626 0.605 18511
730 1 2 . 1 1 59 59 ARG CA C 57 53.236 53.236 57.758 -4.522 18511
731 1 2 . 1 1 59 59 ARG CB C 57 33.526 33.526 31.420 2.106 18511
732 1 2 . 1 1 59 59 ARG H H 57 9.709 9.709 9.099 0.610 18511
733 1 2 . 1 1 61 61 GLY C C 59 174.202 174.202 173.884 0.318 18511
734 1 2 . 1 1 61 61 GLY CA C 59 45.899 45.899 44.670 1.229 18511
735 1 2 . 1 1 62 62 ASP N N 60 116.489 116.489 120.109 -3.620 18511
736 1 2 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.773 -0.102 18511
737 1 2 . 1 1 62 62 ASP C C 60 176.692 176.692 175.565 1.127 18511
738 1 2 . 1 1 62 62 ASP CA C 60 54.854 54.854 54.724 0.130 18511
739 1 2 . 1 1 62 62 ASP CB C 60 41.130 41.130 41.237 -0.107 18511
740 1 2 . 1 1 62 62 ASP H H 60 8.300 8.300 8.346 -0.046 18511
741 1 2 . 1 1 63 63 ALA N N 61 122.793 122.793 121.442 1.351 18511
742 1 2 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.587 -0.482 18511
743 1 2 . 1 1 63 63 ALA C C 61 176.581 176.581 176.816 -0.235 18511
744 1 2 . 1 1 63 63 ALA CA C 61 52.732 52.732 52.401 0.330 18511
745 1 2 . 1 1 63 63 ALA CB C 61 19.806 19.806 19.311 0.495 18511
746 1 2 . 1 1 63 63 ALA H H 61 7.551 7.551 7.792 -0.241 18511
747 1 2 . 1 1 64 64 GLY N N 62 108.029 108.029 111.998 -3.969 18511
748 1 2 . 1 1 64 64 GLY C C 62 171.274 171.274 172.207 -0.933 18511
749 1 2 . 1 1 64 64 GLY CA C 62 44.826 44.826 45.262 -0.436 18511
750 1 2 . 1 1 64 64 GLY H H 62 8.720 8.720 8.283 0.437 18511
751 1 2 . 1 1 65 65 GLU N N 63 122.343 122.343 121.036 1.307 18511
752 1 2 . 1 1 65 65 GLU HA H 63 5.134 5.134 5.344 -0.210 18511
753 1 2 . 1 1 65 65 GLU C C 63 175.900 175.900 176.144 -0.244 18511
754 1 2 . 1 1 65 65 GLU CA C 63 55.309 55.309 55.469 -0.160 18511
755 1 2 . 1 1 65 65 GLU CB C 63 31.183 31.183 29.494 1.690 18511
756 1 2 . 1 1 65 65 GLU H H 63 9.038 9.038 8.665 0.373 18511
757 1 2 . 1 1 66 66 TYR N N 64 128.776 128.776 125.311 3.465 18511
758 1 2 . 1 1 66 66 TYR HA H 64 5.769 5.769 5.190 0.579 18511
759 1 2 . 1 1 66 66 TYR C C 64 174.157 174.157 175.963 -1.806 18511
760 1 2 . 1 1 66 66 TYR CA C 64 56.596 56.596 57.516 -0.919 18511
761 1 2 . 1 1 66 66 TYR CB C 64 40.857 40.857 39.339 1.518 18511
762 1 2 . 1 1 66 66 TYR H H 64 9.984 9.984 8.960 1.024 18511
763 1 2 . 1 1 67 67 LEU N N 65 125.560 125.560 126.953 -1.393 18511
764 1 2 . 1 1 67 67 LEU HA H 65 5.360 5.360 5.029 0.331 18511
765 1 2 . 1 1 67 67 LEU C C 65 174.617 174.617 176.431 -1.814 18511
766 1 2 . 1 1 67 67 LEU CA C 65 53.294 53.294 53.618 -0.324 18511
767 1 2 . 1 1 67 67 LEU CB C 65 46.296 46.296 42.597 3.699 18511
768 1 2 . 1 1 67 67 LEU H H 65 9.385 9.385 8.910 0.475 18511
769 1 2 . 1 1 68 68 CYS N N 66 127.135 127.135 128.283 -1.148 18511
770 1 2 . 1 1 68 68 CYS HA H 66 3.994 3.994 4.160 -0.166 18511
771 1 2 . 1 1 68 68 CYS C C 66 172.383 172.383 174.200 -1.817 18511
772 1 2 . 1 1 68 68 CYS CA C 66 57.828 57.828 58.477 -0.649 18511
773 1 2 . 1 1 68 68 CYS CB C 66 26.535 26.535 25.934 0.601 18511
774 1 2 . 1 1 68 68 CYS H H 66 9.102 9.102 8.838 0.264 18511
775 1 2 . 1 1 69 69 ASP N N 67 129.420 129.420 126.302 3.118 18511
776 1 2 . 1 1 69 69 ASP HA H 67 4.953 4.953 4.632 0.321 18511
777 1 2 . 1 1 69 69 ASP C C 67 173.128 173.128 175.066 -1.938 18511
778 1 2 . 1 1 69 69 ASP CA C 67 53.459 53.459 53.480 -0.021 18511
779 1 2 . 1 1 69 69 ASP CB C 67 44.249 44.249 41.429 2.820 18511
780 1 2 . 1 1 69 69 ASP H H 67 9.296 9.296 7.967 1.329 18511
781 1 2 . 1 1 70 70 ALA N N 68 129.162 129.162 129.113 0.049 18511
782 1 2 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.615 0.439 18511
783 1 2 . 1 1 70 70 ALA C C 68 175.108 175.108 176.412 -1.304 18511
784 1 2 . 1 1 70 70 ALA CA C 68 49.404 49.404 49.115 0.289 18511
785 1 2 . 1 1 70 70 ALA CB C 68 21.402 21.402 18.957 2.445 18511
786 1 2 . 1 1 70 70 ALA H H 68 8.179 8.179 7.672 0.507 18511
787 1 2 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.285 -0.120 18511
788 1 2 . 1 1 71 71 PRO C C 69 177.840 177.840 176.496 1.344 18511
789 1 2 . 1 1 71 71 PRO CA C 69 65.906 65.906 63.877 2.029 18511
790 1 2 . 1 1 71 71 PRO CB C 69 31.744 31.744 32.255 -0.511 18511
791 1 2 . 1 1 72 72 GLN N N 70 113.851 113.851 120.184 -6.333 18511
792 1 2 . 1 1 72 72 GLN HA H 70 4.363 4.363 4.390 -0.027 18511
793 1 2 . 1 1 72 72 GLN C C 70 174.744 174.744 174.825 -0.081 18511
794 1 2 . 1 1 72 72 GLN CA C 70 55.239 55.239 55.007 0.232 18511
795 1 2 . 1 1 72 72 GLN CB C 70 29.355 29.355 28.132 1.223 18511
796 1 2 . 1 1 72 72 GLN H H 70 9.053 9.053 7.672 1.381 18511
797 1 2 . 1 1 73 73 ASP N N 71 118.081 118.081 123.350 -5.269 18511
798 1 2 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.406 0.418 18511
799 1 2 . 1 1 73 73 ASP C C 71 173.017 173.017 174.983 -1.966 18511
800 1 2 . 1 1 73 73 ASP CA C 71 53.992 53.992 54.964 -0.972 18511
801 1 2 . 1 1 73 73 ASP CB C 71 44.449 44.449 41.452 2.997 18511
802 1 2 . 1 1 73 73 ASP H H 71 7.336 7.336 8.454 -1.118 18511
803 1 2 . 1 1 74 74 SER N N 72 114.356 114.356 116.711 -2.355 18511
804 1 2 . 1 1 74 74 SER HA H 72 5.209 5.209 4.586 0.623 18511
805 1 2 . 1 1 74 74 SER C C 72 174.189 174.189 174.104 0.085 18511
806 1 2 . 1 1 74 74 SER CA C 72 57.604 57.604 57.775 -0.171 18511
807 1 2 . 1 1 74 74 SER CB C 72 64.697 64.697 64.305 0.392 18511
808 1 2 . 1 1 74 74 SER H H 72 8.161 8.161 8.238 -0.077 18511
809 1 2 . 1 1 75 75 ARG N N 73 122.793 122.793 125.640 -2.847 18511
810 1 2 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.691 0.005 18511
811 1 2 . 1 1 75 75 ARG C C 73 173.460 173.460 174.563 -1.103 18511
812 1 2 . 1 1 75 75 ARG CA C 73 53.404 53.404 54.965 -1.561 18511
813 1 2 . 1 1 75 75 ARG CB C 73 33.600 33.600 32.909 0.691 18511
814 1 2 . 1 1 75 75 ARG H H 73 8.592 8.592 8.553 0.039 18511
815 1 2 . 1 1 76 76 ILE N N 74 122.343 122.343 123.845 -1.502 18511
816 1 2 . 1 1 76 76 ILE HA H 74 5.154 5.154 4.538 0.616 18511
817 1 2 . 1 1 76 76 ILE C C 74 175.266 175.266 174.969 0.297 18511
818 1 2 . 1 1 76 76 ILE CA C 74 59.620 59.620 60.297 -0.677 18511
819 1 2 . 1 1 76 76 ILE CB C 74 40.889 40.889 39.891 0.998 18511
820 1 2 . 1 1 76 76 ILE H H 74 8.262 8.262 8.556 -0.294 18511
821 1 2 . 1 1 77 77 PHE N N 75 126.428 126.428 125.530 0.898 18511
822 1 2 . 1 1 77 77 PHE HA H 75 5.524 5.524 5.236 0.288 18511
823 1 2 . 1 1 77 77 PHE C C 75 174.680 174.680 175.557 -0.877 18511
824 1 2 . 1 1 77 77 PHE CA C 75 55.570 55.570 55.877 -0.307 18511
825 1 2 . 1 1 77 77 PHE CB C 75 42.186 42.186 40.149 2.037 18511
826 1 2 . 1 1 77 77 PHE H H 75 9.932 9.932 8.701 1.231 18511
827 1 2 . 1 1 78 78 LEU N N 76 126.068 126.068 126.840 -0.772 18511
828 1 2 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.426 0.698 18511
829 1 2 . 1 1 78 78 LEU C C 76 176.138 176.138 175.801 0.337 18511
830 1 2 . 1 1 78 78 LEU CA C 76 53.799 53.799 54.877 -1.077 18511
831 1 2 . 1 1 78 78 LEU CB C 76 41.851 41.851 41.130 0.721 18511
832 1 2 . 1 1 78 78 LEU H H 76 9.091 9.091 8.891 0.200 18511
833 1 2 . 1 1 79 79 VAL N N 77 129.130 129.130 126.151 2.979 18511
834 1 2 . 1 1 79 79 VAL HA H 77 5.109 5.109 5.248 -0.139 18511
835 1 2 . 1 1 79 79 VAL C C 77 176.597 176.597 175.842 0.755 18511
836 1 2 . 1 1 79 79 VAL CA C 77 61.384 61.384 60.566 0.818 18511
837 1 2 . 1 1 79 79 VAL CB C 77 33.846 33.846 33.369 0.477 18511
838 1 2 . 1 1 79 79 VAL H H 77 9.408 9.408 8.338 1.070 18511
839 1 2 . 1 1 80 80 SER N N 78 124.016 124.016 124.079 -0.063 18511
840 1 2 . 1 1 80 80 SER HA H 78 4.908 4.908 4.838 0.070 18511
841 1 2 . 1 1 80 80 SER C C 78 172.431 172.431 172.633 -0.202 18511
842 1 2 . 1 1 80 80 SER CA C 78 56.344 56.344 57.502 -1.157 18511
843 1 2 . 1 1 80 80 SER CB C 78 65.164 65.164 64.419 0.744 18511
844 1 2 . 1 1 80 80 SER H H 78 9.125 9.125 8.223 0.902 18511
845 1 2 . 1 1 81 81 VAL N N 79 124.402 124.402 127.333 -2.931 18511
846 1 2 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.736 -0.201 18511
847 1 2 . 1 1 81 81 VAL C C 79 174.744 174.744 175.918 -1.174 18511
848 1 2 . 1 1 81 81 VAL CA C 79 61.028 61.028 61.367 -0.339 18511
849 1 2 . 1 1 81 81 VAL CB C 79 32.741 32.741 31.220 1.521 18511
850 1 2 . 1 1 81 81 VAL H H 79 8.638 8.638 8.957 -0.319 18511
851 1 2 . 1 1 82 82 GLU N N 80 124.145 124.145 123.594 0.551 18511
852 1 2 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.523 0.038 18511
853 1 2 . 1 1 82 82 GLU C C 80 174.839 174.839 176.502 -1.663 18511
854 1 2 . 1 1 82 82 GLU CA C 80 54.664 54.664 56.029 -1.365 18511
855 1 2 . 1 1 82 82 GLU CB C 80 32.237 32.237 30.810 1.427 18511
856 1 2 . 1 1 82 82 GLU H H 80 8.281 8.281 8.025 0.256 18511
857 1 2 . 1 1 83 83 GLU N N 81 123.244 123.244 123.224 0.020 18511
858 1 2 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.561 -0.122 18511
859 1 2 . 1 1 83 83 GLU C C 81 173.841 173.841 174.761 -0.920 18511
860 1 2 . 1 1 83 83 GLU CA C 81 54.611 54.611 54.860 -0.249 18511
861 1 2 . 1 1 83 83 GLU CB C 81 29.046 29.046 29.239 -0.194 18511
862 1 2 . 1 1 83 83 GLU H H 81 8.656 8.656 8.470 0.186 18511
863 1 3 . 1 1 4 4 THR N N 2 121.282 121.282 114.263 7.019 18511
864 1 3 . 1 1 4 4 THR HA H 2 4.463 4.463 4.311 0.152 18511
865 1 3 . 1 1 4 4 THR C C 2 173.255 173.255 173.747 -0.492 18511
866 1 3 . 1 1 4 4 THR CA C 2 62.056 62.056 61.896 0.160 18511
867 1 3 . 1 1 4 4 THR CB C 2 70.955 70.955 69.157 1.798 18511
868 1 3 . 1 1 4 4 THR H H 2 8.319 8.319 8.253 0.066 18511
869 1 3 . 1 1 5 5 ARG N N 3 127.535 127.535 122.849 4.686 18511
870 1 3 . 1 1 5 5 ARG HA H 3 5.083 5.083 4.803 0.280 18511
871 1 3 . 1 1 5 5 ARG C C 3 175.694 175.694 174.533 1.161 18511
872 1 3 . 1 1 5 5 ARG CA C 3 55.236 55.236 55.630 -0.394 18511
873 1 3 . 1 1 5 5 ARG CB C 3 30.776 30.776 33.018 -2.242 18511
874 1 3 . 1 1 5 5 ARG H H 3 8.958 8.958 8.315 0.643 18511
875 1 3 . 1 1 6 6 VAL N N 4 125.495 125.495 125.797 -0.302 18511
876 1 3 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.433 -0.101 18511
877 1 3 . 1 1 6 6 VAL C C 4 173.365 173.365 174.367 -1.002 18511
878 1 3 . 1 1 6 6 VAL CA C 4 61.473 61.473 60.804 0.669 18511
879 1 3 . 1 1 6 6 VAL CB C 4 35.854 35.854 35.682 0.172 18511
880 1 3 . 1 1 6 6 VAL H H 4 8.812 8.812 8.442 0.370 18511
881 1 3 . 1 1 7 7 ARG N N 5 127.554 127.554 127.686 -0.132 18511
882 1 3 . 1 1 7 7 ARG HA H 5 5.175 5.175 4.854 0.321 18511
883 1 3 . 1 1 7 7 ARG C C 5 175.694 175.694 175.399 0.295 18511
884 1 3 . 1 1 7 7 ARG CA C 5 54.373 54.373 55.749 -1.376 18511
885 1 3 . 1 1 7 7 ARG CB C 5 31.679 31.679 31.668 0.012 18511
886 1 3 . 1 1 7 7 ARG H H 5 8.712 8.712 8.657 0.055 18511
887 1 3 . 1 1 8 8 SER N N 6 120.281 120.281 119.374 0.907 18511
888 1 3 . 1 1 8 8 SER HA H 6 4.762 4.762 4.800 -0.038 18511
889 1 3 . 1 1 8 8 SER C C 6 173.555 173.555 172.945 0.610 18511
890 1 3 . 1 1 8 8 SER CA C 6 56.428 56.428 56.528 -0.100 18511
891 1 3 . 1 1 8 8 SER CB C 6 65.450 65.450 65.752 -0.302 18511
892 1 3 . 1 1 8 8 SER H H 6 8.669 8.669 8.804 -0.135 18511
893 1 3 . 1 1 9 9 THR N N 7 117.885 117.885 115.320 2.565 18511
894 1 3 . 1 1 9 9 THR HA H 7 4.847 4.847 5.338 -0.491 18511
895 1 3 . 1 1 9 9 THR C C 7 172.748 172.748 173.102 -0.354 18511
896 1 3 . 1 1 9 9 THR CA C 7 59.436 59.436 58.181 1.255 18511
897 1 3 . 1 1 9 9 THR CB C 7 69.938 69.938 69.721 0.218 18511
898 1 3 . 1 1 9 9 THR H H 7 8.362 8.362 8.564 -0.202 18511
899 1 3 . 1 1 10 10 PRO HA H 8 4.060 4.060 4.361 -0.301 18511
900 1 3 . 1 1 10 10 PRO C C 8 177.966 177.966 177.337 0.629 18511
901 1 3 . 1 1 10 10 PRO CA C 8 63.484 63.484 63.051 0.433 18511
902 1 3 . 1 1 10 10 PRO CB C 8 30.986 30.986 30.140 0.846 18511
903 1 3 . 1 1 11 11 GLY N N 9 114.800 114.800 113.587 1.213 18511
904 1 3 . 1 1 11 11 GLY C C 9 174.870 174.870 174.035 0.835 18511
905 1 3 . 1 1 11 11 GLY CA C 9 45.147 45.147 44.886 0.261 18511
906 1 3 . 1 1 11 11 GLY H H 9 9.824 9.824 8.282 1.542 18511
907 1 3 . 1 1 12 12 GLY N N 10 109.721 109.721 107.108 2.613 18511
908 1 3 . 1 1 12 12 GLY C C 10 171.924 171.924 172.036 -0.112 18511
909 1 3 . 1 1 12 12 GLY CA C 10 43.913 43.913 43.931 -0.018 18511
910 1 3 . 1 1 12 12 GLY H H 10 8.172 8.172 7.620 0.552 18511
911 1 3 . 1 1 13 13 ASP N N 11 119.275 119.275 119.649 -0.374 18511
912 1 3 . 1 1 13 13 ASP HA H 11 5.316 5.316 4.606 0.710 18511
913 1 3 . 1 1 13 13 ASP C C 11 176.185 176.185 175.827 0.358 18511
914 1 3 . 1 1 13 13 ASP CA C 11 53.404 53.404 54.822 -1.417 18511
915 1 3 . 1 1 13 13 ASP CB C 11 41.309 41.309 42.207 -0.898 18511
916 1 3 . 1 1 13 13 ASP H H 11 8.442 8.442 8.363 0.079 18511
917 1 3 . 1 1 14 14 LEU N N 12 125.431 125.431 124.791 0.640 18511
918 1 3 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.660 -0.234 18511
919 1 3 . 1 1 14 14 LEU C C 12 174.934 174.934 175.200 -0.266 18511
920 1 3 . 1 1 14 14 LEU CA C 12 53.697 53.697 53.662 0.035 18511
921 1 3 . 1 1 14 14 LEU CB C 12 44.170 44.170 45.457 -1.287 18511
922 1 3 . 1 1 14 14 LEU H H 12 8.889 8.889 7.856 1.033 18511
923 1 3 . 1 1 15 15 GLU N N 13 126.203 126.203 123.221 2.982 18511
924 1 3 . 1 1 15 15 GLU HA H 13 4.901 4.901 4.593 0.308 18511
925 1 3 . 1 1 15 15 GLU C C 13 173.555 173.555 174.773 -1.218 18511
926 1 3 . 1 1 15 15 GLU CA C 13 55.168 55.168 55.249 -0.081 18511
927 1 3 . 1 1 15 15 GLU CB C 13 32.489 32.489 32.734 -0.245 18511
928 1 3 . 1 1 15 15 GLU H H 13 8.469 8.469 8.335 0.134 18511
929 1 3 . 1 1 16 16 LEU N N 14 127.480 127.480 128.767 -1.287 18511
930 1 3 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.686 -0.464 18511
931 1 3 . 1 1 16 16 LEU C C 14 174.221 174.221 175.578 -1.357 18511
932 1 3 . 1 1 16 16 LEU CA C 14 52.900 52.900 53.803 -0.903 18511
933 1 3 . 1 1 16 16 LEU CB C 14 40.861 40.861 42.822 -1.961 18511
934 1 3 . 1 1 16 16 LEU H H 14 9.082 9.082 8.500 0.582 18511
935 1 3 . 1 1 17 17 VAL N N 15 122.038 122.038 125.619 -3.581 18511
936 1 3 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.192 0.569 18511
937 1 3 . 1 1 17 17 VAL C C 15 175.330 175.330 175.834 -0.504 18511
938 1 3 . 1 1 17 17 VAL CA C 15 61.468 61.468 62.262 -0.794 18511
939 1 3 . 1 1 17 17 VAL CB C 15 33.749 33.749 32.223 1.526 18511
940 1 3 . 1 1 17 17 VAL H H 15 8.105 8.105 8.615 -0.510 18511
941 1 3 . 1 1 18 18 VAL N N 16 127.741 127.741 128.145 -0.404 18511
942 1 3 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.582 -0.297 18511
943 1 3 . 1 1 18 18 VAL C C 16 173.555 173.555 175.076 -1.521 18511
944 1 3 . 1 1 18 18 VAL CA C 16 61.020 61.020 61.801 -0.781 18511
945 1 3 . 1 1 18 18 VAL CB C 16 35.604 35.604 33.446 2.159 18511
946 1 3 . 1 1 18 18 VAL H H 16 9.335 9.335 7.993 1.342 18511
947 1 3 . 1 1 19 19 HIS N N 17 126.695 126.695 124.215 2.480 18511
948 1 3 . 1 1 19 19 HIS HA H 17 5.023 5.023 4.733 0.290 18511
949 1 3 . 1 1 19 19 HIS C C 17 175.710 175.710 174.633 1.077 18511
950 1 3 . 1 1 19 19 HIS CA C 17 55.225 55.225 55.260 -0.035 18511
951 1 3 . 1 1 19 19 HIS CB C 17 30.418 30.418 29.992 0.426 18511
952 1 3 . 1 1 19 19 HIS H H 17 8.710 8.710 8.795 -0.085 18511
953 1 3 . 1 1 20 20 LEU N N 18 124.981 124.981 119.509 5.472 18511
954 1 3 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.361 -0.050 18511
955 1 3 . 1 1 20 20 LEU C C 18 177.357 177.357 177.014 0.343 18511
956 1 3 . 1 1 20 20 LEU CA C 18 54.162 54.162 54.763 -0.601 18511
957 1 3 . 1 1 20 20 LEU CB C 18 43.005 43.005 42.218 0.787 18511
958 1 3 . 1 1 20 20 LEU H H 18 8.941 8.941 7.831 1.110 18511
959 1 3 . 1 1 21 21 SER N N 19 116.428 116.428 116.241 0.187 18511
960 1 3 . 1 1 21 21 SER HA H 19 4.280 4.280 4.472 -0.192 18511
961 1 3 . 1 1 21 21 SER C C 19 174.348 174.348 174.491 -0.143 18511
962 1 3 . 1 1 21 21 SER CA C 19 59.696 59.696 58.457 1.239 18511
963 1 3 . 1 1 21 21 SER CB C 19 63.364 63.364 63.250 0.114 18511
964 1 3 . 1 1 21 21 SER H H 19 9.513 9.513 8.409 1.104 18511
965 1 3 . 1 1 22 22 GLY N N 20 107.975 107.975 110.251 -2.276 18511
966 1 3 . 1 1 22 22 GLY C C 20 171.306 171.306 172.388 -1.082 18511
967 1 3 . 1 1 22 22 GLY CA C 20 44.193 44.193 42.639 1.554 18511
968 1 3 . 1 1 22 22 GLY H H 20 7.532 7.532 8.096 -0.564 18511
969 1 3 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.692 -0.329 18511
970 1 3 . 1 1 23 23 PRO C C 21 177.141 177.141 177.766 -0.625 18511
971 1 3 . 1 1 23 23 PRO CA C 21 63.096 63.096 62.658 0.438 18511
972 1 3 . 1 1 23 23 PRO CB C 21 32.105 32.105 32.595 -0.490 18511
973 1 3 . 1 1 24 24 GLY N N 22 107.827 107.827 108.018 -0.191 18511
974 1 3 . 1 1 24 24 GLY C C 22 173.270 173.270 174.599 -1.329 18511
975 1 3 . 1 1 24 24 GLY CA C 22 45.013 45.013 45.551 -0.538 18511
976 1 3 . 1 1 24 24 GLY H H 22 8.264 8.264 8.705 -0.441 18511
977 1 3 . 1 1 25 25 GLY N N 23 108.700 108.700 109.291 -0.591 18511
978 1 3 . 1 1 25 25 GLY C C 23 170.292 170.292 172.130 -1.838 18511
979 1 3 . 1 1 25 25 GLY CA C 23 43.573 43.573 44.577 -1.004 18511
980 1 3 . 1 1 25 25 GLY H H 23 7.797 7.797 7.676 0.121 18511
981 1 3 . 1 1 26 26 PRO HA H 24 4.574 4.574 4.507 0.067 18511
982 1 3 . 1 1 26 26 PRO C C 24 175.331 175.331 175.820 -0.489 18511
983 1 3 . 1 1 26 26 PRO CA C 24 62.105 62.105 62.910 -0.805 18511
984 1 3 . 1 1 26 26 PRO CB C 24 34.842 34.842 32.188 2.655 18511
985 1 3 . 1 1 27 27 VAL N N 25 121.565 121.565 124.432 -2.867 18511
986 1 3 . 1 1 27 27 VAL HA H 25 4.662 4.662 4.174 0.488 18511
987 1 3 . 1 1 27 27 VAL C C 25 175.742 175.742 175.873 -0.131 18511
988 1 3 . 1 1 27 27 VAL CA C 25 61.384 61.384 62.060 -0.676 18511
989 1 3 . 1 1 27 27 VAL CB C 25 32.971 32.971 32.280 0.691 18511
990 1 3 . 1 1 27 27 VAL H H 25 8.579 8.579 8.263 0.316 18511
991 1 3 . 1 1 28 28 ARG N N 26 127.876 127.876 127.517 0.359 18511
992 1 3 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.500 0.082 18511
993 1 3 . 1 1 28 28 ARG C C 26 173.144 173.144 174.505 -1.361 18511
994 1 3 . 1 1 28 28 ARG CA C 26 54.861 54.861 54.552 0.309 18511
995 1 3 . 1 1 28 28 ARG CB C 26 34.589 34.589 33.221 1.368 18511
996 1 3 . 1 1 28 28 ARG H H 26 8.856 8.856 8.222 0.634 18511
997 1 3 . 1 1 29 29 TRP N N 27 121.571 121.571 119.859 1.712 18511
998 1 3 . 1 1 29 29 TRP HA H 27 5.986 5.986 5.413 0.573 18511
999 1 3 . 1 1 29 29 TRP C C 27 175.932 175.932 175.945 -0.013 18511
1000 1 3 . 1 1 29 29 TRP CA C 27 55.504 55.504 55.583 -0.079 18511
1001 1 3 . 1 1 29 29 TRP CB C 27 32.584 32.584 32.261 0.323 18511
1002 1 3 . 1 1 29 29 TRP H H 27 8.858 8.858 8.474 0.384 18511
1003 1 3 . 1 1 30 30 TYR N N 28 118.451 118.451 122.108 -3.657 18511
1004 1 3 . 1 1 30 30 TYR HA H 28 5.332 5.332 5.042 0.290 18511
1005 1 3 . 1 1 30 30 TYR C C 28 175.108 175.108 174.551 0.557 18511
1006 1 3 . 1 1 30 30 TYR CA C 28 55.924 55.924 57.269 -1.345 18511
1007 1 3 . 1 1 30 30 TYR CB C 28 43.194 43.194 41.911 1.283 18511
1008 1 3 . 1 1 30 30 TYR H H 28 9.605 9.605 8.939 0.666 18511
1009 1 3 . 1 1 31 31 LYS N N 29 120.638 120.638 125.016 -4.378 18511
1010 1 3 . 1 1 31 31 LYS HA H 29 4.790 4.790 4.809 -0.019 18511
1011 1 3 . 1 1 31 31 LYS C C 29 176.565 176.565 176.934 -0.369 18511
1012 1 3 . 1 1 31 31 LYS CA C 29 54.496 54.496 53.680 0.816 18511
1013 1 3 . 1 1 31 31 LYS CB C 29 35.345 35.345 32.725 2.620 18511
1014 1 3 . 1 1 31 31 LYS H H 29 9.055 9.055 8.911 0.144 18511
1015 1 3 . 1 1 32 32 ASP N N 30 131.009 131.009 127.105 3.904 18511
1016 1 3 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.241 0.205 18511
1017 1 3 . 1 1 32 32 ASP C C 30 176.344 176.344 175.892 0.452 18511
1018 1 3 . 1 1 32 32 ASP CA C 30 55.846 55.846 55.928 -0.082 18511
1019 1 3 . 1 1 32 32 ASP CB C 30 40.289 40.289 40.630 -0.341 18511
1020 1 3 . 1 1 32 32 ASP H H 30 10.006 10.006 8.822 1.184 18511
1021 1 3 . 1 1 33 33 GLY N N 31 102.658 102.658 103.945 -1.287 18511
1022 1 3 . 1 1 33 33 GLY C C 31 173.809 173.809 173.739 0.070 18511
1023 1 3 . 1 1 33 33 GLY CA C 31 45.127 45.127 44.984 0.143 18511
1024 1 3 . 1 1 33 33 GLY H H 31 8.903 8.903 8.355 0.548 18511
1025 1 3 . 1 1 34 34 GLU N N 32 121.796 121.796 122.009 -0.213 18511
1026 1 3 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.805 -0.063 18511
1027 1 3 . 1 1 34 34 GLU C C 32 175.789 175.789 175.371 0.418 18511
1028 1 3 . 1 1 34 34 GLU CA C 32 54.496 54.496 53.991 0.505 18511
1029 1 3 . 1 1 34 34 GLU CB C 32 31.161 31.161 31.869 -0.708 18511
1030 1 3 . 1 1 34 34 GLU H H 32 8.152 8.152 7.957 0.195 18511
1031 1 3 . 1 1 35 35 ARG N N 33 126.589 126.589 123.823 2.766 18511
1032 1 3 . 1 1 35 35 ARG HA H 33 3.927 3.927 4.442 -0.515 18511
1033 1 3 . 1 1 35 35 ARG C C 33 176.296 176.296 175.456 0.840 18511
1034 1 3 . 1 1 35 35 ARG CA C 33 56.344 56.344 55.529 0.815 18511
1035 1 3 . 1 1 35 35 ARG CB C 33 29.803 29.803 30.390 -0.587 18511
1036 1 3 . 1 1 35 35 ARG H H 33 8.928 8.928 8.616 0.312 18511
1037 1 3 . 1 1 36 36 LEU N N 34 127.490 127.490 122.740 4.750 18511
1038 1 3 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.456 0.141 18511
1039 1 3 . 1 1 36 36 LEU C C 34 175.361 175.361 176.458 -1.097 18511
1040 1 3 . 1 1 36 36 LEU CA C 34 53.656 53.656 54.106 -0.450 18511
1041 1 3 . 1 1 36 36 LEU CB C 34 44.501 44.501 42.137 2.364 18511
1042 1 3 . 1 1 36 36 LEU H H 34 8.668 8.668 8.000 0.668 18511
1043 1 3 . 1 1 37 37 ALA N N 35 124.016 124.016 123.773 0.243 18511
1044 1 3 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.475 0.074 18511
1045 1 3 . 1 1 37 37 ALA C C 35 175.757 175.757 175.759 -0.002 18511
1046 1 3 . 1 1 37 37 ALA CA C 35 50.039 50.039 50.879 -0.840 18511
1047 1 3 . 1 1 37 37 ALA CB C 35 21.822 21.822 21.211 0.611 18511
1048 1 3 . 1 1 37 37 ALA H H 35 8.177 8.177 7.682 0.495 18511
1049 1 3 . 1 1 38 38 SER N N 36 114.574 114.574 116.985 -2.411 18511
1050 1 3 . 1 1 38 38 SER HA H 36 4.440 4.440 4.406 0.034 18511
1051 1 3 . 1 1 38 38 SER C C 36 174.005 174.005 174.153 -0.148 18511
1052 1 3 . 1 1 38 38 SER CA C 36 57.610 57.610 58.601 -0.991 18511
1053 1 3 . 1 1 38 38 SER CB C 36 62.056 62.056 63.095 -1.039 18511
1054 1 3 . 1 1 38 38 SER H H 36 8.444 8.444 8.278 0.166 18511
1055 1 3 . 1 1 39 39 GLN N N 37 126.057 126.057 127.479 -1.422 18511
1056 1 3 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.435 0.017 18511
1057 1 3 . 1 1 39 39 GLN C C 37 175.599 175.599 176.137 -0.538 18511
1058 1 3 . 1 1 39 39 GLN CA C 37 55.433 55.433 55.874 -0.441 18511
1059 1 3 . 1 1 39 39 GLN CB C 37 29.970 29.970 30.835 -0.865 18511
1060 1 3 . 1 1 39 39 GLN H H 37 8.477 8.477 8.002 0.475 18511
1061 1 3 . 1 1 41 41 ARG HA H 39 4.228 4.228 4.213 0.015 18511
1062 1 3 . 1 1 41 41 ARG C C 39 174.776 174.776 177.097 -2.321 18511
1063 1 3 . 1 1 41 41 ARG CA C 39 57.143 57.143 57.516 -0.373 18511
1064 1 3 . 1 1 41 41 ARG CB C 39 30.504 30.504 30.955 -0.451 18511
1065 1 3 . 1 1 42 42 VAL N N 40 119.931 119.931 121.930 -1.999 18511
1066 1 3 . 1 1 42 42 VAL HA H 40 4.602 4.602 4.437 0.165 18511
1067 1 3 . 1 1 42 42 VAL C C 40 174.854 174.854 175.078 -0.224 18511
1068 1 3 . 1 1 42 42 VAL CA C 40 61.663 61.663 61.892 -0.229 18511
1069 1 3 . 1 1 42 42 VAL CB C 40 32.800 32.800 30.499 2.301 18511
1070 1 3 . 1 1 42 42 VAL H H 40 7.662 7.662 7.711 -0.049 18511
1071 1 3 . 1 1 43 43 GLN N N 41 125.689 125.689 127.940 -2.251 18511
1072 1 3 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.597 -0.066 18511
1073 1 3 . 1 1 43 43 GLN C C 41 173.952 173.952 174.219 -0.267 18511
1074 1 3 . 1 1 43 43 GLN CA C 41 53.656 53.656 53.675 -0.019 18511
1075 1 3 . 1 1 43 43 GLN CB C 41 31.817 31.817 28.974 2.843 18511
1076 1 3 . 1 1 43 43 GLN H H 41 8.937 8.937 8.070 0.867 18511
1077 1 3 . 1 1 44 44 LEU N N 42 123.562 123.562 125.766 -2.204 18511
1078 1 3 . 1 1 44 44 LEU HA H 42 4.984 4.984 5.401 -0.417 18511
1079 1 3 . 1 1 44 44 LEU C C 42 176.565 176.565 177.096 -0.531 18511
1080 1 3 . 1 1 44 44 LEU CA C 42 52.931 52.931 53.661 -0.730 18511
1081 1 3 . 1 1 44 44 LEU CB C 42 42.474 42.474 44.322 -1.848 18511
1082 1 3 . 1 1 44 44 LEU H H 42 8.231 8.231 8.533 -0.302 18511
1083 1 3 . 1 1 45 45 GLU N N 43 124.016 124.016 123.463 0.553 18511
1084 1 3 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.594 0.062 18511
1085 1 3 . 1 1 45 45 GLU C C 43 175.346 175.346 174.549 0.797 18511
1086 1 3 . 1 1 45 45 GLU CA C 43 54.723 54.723 55.105 -0.382 18511
1087 1 3 . 1 1 45 45 GLU CB C 43 32.841 32.841 33.342 -0.501 18511
1088 1 3 . 1 1 45 45 GLU H H 43 9.309 9.309 8.656 0.653 18511
1089 1 3 . 1 1 46 46 GLN N N 44 125.220 125.220 123.409 1.811 18511
1090 1 3 . 1 1 46 46 GLN HA H 44 4.928 4.928 4.831 0.097 18511
1091 1 3 . 1 1 46 46 GLN C C 44 174.332 174.332 174.614 -0.282 18511
1092 1 3 . 1 1 46 46 GLN CA C 44 54.832 54.832 54.949 -0.117 18511
1093 1 3 . 1 1 46 46 GLN CB C 44 30.726 30.726 29.908 0.818 18511
1094 1 3 . 1 1 46 46 GLN H H 44 8.825 8.825 8.579 0.246 18511
1095 1 3 . 1 1 47 47 ALA N N 45 129.999 129.999 126.500 3.499 18511
1096 1 3 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.549 0.123 18511
1097 1 3 . 1 1 47 47 ALA C C 45 177.056 177.056 177.285 -0.229 18511
1098 1 3 . 1 1 47 47 ALA CA C 45 50.716 50.716 51.147 -0.431 18511
1099 1 3 . 1 1 47 47 ALA CB C 45 18.798 18.798 19.359 -0.561 18511
1100 1 3 . 1 1 47 47 ALA H H 45 8.636 8.636 8.803 -0.167 18511
1101 1 3 . 1 1 48 48 GLY CA C 46 46.885 46.885 45.672 1.212 18511
1102 1 3 . 1 1 49 49 ALA HA H 47 4.183 4.183 4.453 -0.270 18511
1103 1 3 . 1 1 49 49 ALA C C 47 176.586 176.586 177.529 -0.943 18511
1104 1 3 . 1 1 49 49 ALA CA C 47 53.068 53.068 52.307 0.761 18511
1105 1 3 . 1 1 49 49 ALA CB C 47 18.714 18.714 19.929 -1.215 18511
1106 1 3 . 1 1 50 50 ARG N N 48 119.282 119.282 122.007 -2.725 18511
1107 1 3 . 1 1 50 50 ARG HA H 48 4.635 4.635 4.548 0.087 18511
1108 1 3 . 1 1 50 50 ARG C C 48 174.348 174.348 175.024 -0.676 18511
1109 1 3 . 1 1 50 50 ARG CA C 48 55.672 55.672 55.506 0.166 18511
1110 1 3 . 1 1 50 50 ARG CB C 48 31.413 31.413 29.871 1.542 18511
1111 1 3 . 1 1 50 50 ARG H H 48 7.725 7.725 8.142 -0.417 18511
1112 1 3 . 1 1 51 51 GLN N N 49 125.499 125.499 124.032 1.467 18511
1113 1 3 . 1 1 51 51 GLN HA H 49 4.961 4.961 5.399 -0.438 18511
1114 1 3 . 1 1 51 51 GLN C C 49 174.427 174.427 174.896 -0.469 18511
1115 1 3 . 1 1 51 51 GLN CA C 49 53.404 53.404 53.886 -0.482 18511
1116 1 3 . 1 1 51 51 GLN CB C 49 30.133 30.133 32.580 -2.447 18511
1117 1 3 . 1 1 51 51 GLN H H 49 9.086 9.086 8.134 0.952 18511
1118 1 3 . 1 1 52 52 VAL N N 50 121.957 121.957 120.691 1.266 18511
1119 1 3 . 1 1 52 52 VAL HA H 50 5.185 5.185 4.861 0.324 18511
1120 1 3 . 1 1 52 52 VAL C C 50 173.714 173.714 174.082 -0.368 18511
1121 1 3 . 1 1 52 52 VAL CA C 50 60.314 60.314 61.236 -0.922 18511
1122 1 3 . 1 1 52 52 VAL CB C 50 36.154 36.154 34.380 1.774 18511
1123 1 3 . 1 1 52 52 VAL H H 50 8.687 8.687 8.585 0.102 18511
1124 1 3 . 1 1 53 53 LEU N N 51 129.580 129.580 129.020 0.560 18511
1125 1 3 . 1 1 53 53 LEU HA H 51 4.389 4.389 4.470 -0.081 18511
1126 1 3 . 1 1 53 53 LEU C C 51 174.427 174.427 174.463 -0.036 18511
1127 1 3 . 1 1 53 53 LEU CA C 51 53.536 53.536 52.853 0.683 18511
1128 1 3 . 1 1 53 53 LEU CB C 51 42.056 42.056 42.706 -0.650 18511
1129 1 3 . 1 1 53 53 LEU H H 51 8.380 8.380 7.595 0.785 18511
1130 1 3 . 1 1 54 54 ARG N N 52 125.706 125.706 126.832 -1.126 18511
1131 1 3 . 1 1 54 54 ARG HA H 52 5.255 5.255 4.689 0.566 18511
1132 1 3 . 1 1 54 54 ARG C C 52 174.981 174.981 174.577 0.404 18511
1133 1 3 . 1 1 54 54 ARG CA C 52 53.992 53.992 54.358 -0.366 18511
1134 1 3 . 1 1 54 54 ARG CB C 52 33.497 33.497 33.187 0.310 18511
1135 1 3 . 1 1 54 54 ARG H H 52 8.956 8.956 7.953 1.003 18511
1136 1 3 . 1 1 55 55 VAL N N 53 123.212 123.212 122.546 0.666 18511
1137 1 3 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.261 0.358 18511
1138 1 3 . 1 1 55 55 VAL C C 53 175.124 175.124 174.815 0.309 18511
1139 1 3 . 1 1 55 55 VAL CA C 53 61.092 61.092 60.829 0.263 18511
1140 1 3 . 1 1 55 55 VAL CB C 53 34.527 34.527 32.833 1.694 18511
1141 1 3 . 1 1 55 55 VAL H H 53 8.511 8.511 8.440 0.071 18511
1142 1 3 . 1 1 56 56 GLN N N 54 126.653 126.653 129.132 -2.479 18511
1143 1 3 . 1 1 56 56 GLN HA H 54 4.518 4.518 4.286 0.232 18511
1144 1 3 . 1 1 56 56 GLN C C 54 176.296 176.296 176.272 0.024 18511
1145 1 3 . 1 1 56 56 GLN CA C 54 55.022 55.022 56.652 -1.630 18511
1146 1 3 . 1 1 56 56 GLN CB C 54 29.749 29.749 28.738 1.012 18511
1147 1 3 . 1 1 56 56 GLN H H 54 8.509 8.509 7.848 0.661 18511
1148 1 3 . 1 1 57 57 GLY N N 55 114.559 114.559 111.610 2.949 18511
1149 1 3 . 1 1 57 57 GLY C C 55 174.585 174.585 173.863 0.722 18511
1150 1 3 . 1 1 57 57 GLY CA C 55 47.319 47.319 45.104 2.215 18511
1151 1 3 . 1 1 57 57 GLY H H 55 8.420 8.420 8.405 0.015 18511
1152 1 3 . 1 1 58 58 ALA N N 56 122.793 122.793 122.324 0.469 18511
1153 1 3 . 1 1 58 58 ALA HA H 56 4.088 4.088 4.345 -0.257 18511
1154 1 3 . 1 1 58 58 ALA C C 56 177.120 177.120 176.985 0.135 18511
1155 1 3 . 1 1 58 58 ALA CA C 56 53.051 53.051 51.762 1.289 18511
1156 1 3 . 1 1 58 58 ALA CB C 56 18.051 18.051 18.242 -0.191 18511
1157 1 3 . 1 1 58 58 ALA H H 56 8.977 8.977 7.924 1.053 18511
1158 1 3 . 1 1 59 59 ARG N N 57 122.118 122.118 127.194 -5.076 18511
1159 1 3 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.386 0.365 18511
1160 1 3 . 1 1 59 59 ARG C C 57 177.231 177.231 177.023 0.208 18511
1161 1 3 . 1 1 59 59 ARG CA C 57 53.236 53.236 58.523 -5.287 18511
1162 1 3 . 1 1 59 59 ARG CB C 57 33.526 33.526 31.464 2.062 18511
1163 1 3 . 1 1 59 59 ARG H H 57 9.709 9.709 8.575 1.134 18511
1164 1 3 . 1 1 61 61 GLY C C 59 174.202 174.202 174.788 -0.586 18511
1165 1 3 . 1 1 61 61 GLY CA C 59 45.899 45.899 46.424 -0.525 18511
1166 1 3 . 1 1 62 62 ASP N N 60 116.489 116.489 119.532 -3.043 18511
1167 1 3 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.597 0.074 18511
1168 1 3 . 1 1 62 62 ASP C C 60 176.692 176.692 175.388 1.304 18511
1169 1 3 . 1 1 62 62 ASP CA C 60 54.854 54.854 54.931 -0.077 18511
1170 1 3 . 1 1 62 62 ASP CB C 60 41.130 41.130 40.424 0.706 18511
1171 1 3 . 1 1 62 62 ASP H H 60 8.300 8.300 8.077 0.223 18511
1172 1 3 . 1 1 63 63 ALA N N 61 122.793 122.793 121.950 0.843 18511
1173 1 3 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.873 -0.768 18511
1174 1 3 . 1 1 63 63 ALA C C 61 176.581 176.581 177.047 -0.466 18511
1175 1 3 . 1 1 63 63 ALA CA C 61 52.732 52.732 52.223 0.509 18511
1176 1 3 . 1 1 63 63 ALA CB C 61 19.806 19.806 19.419 0.387 18511
1177 1 3 . 1 1 63 63 ALA H H 61 7.551 7.551 7.314 0.237 18511
1178 1 3 . 1 1 64 64 GLY N N 62 108.029 108.029 111.842 -3.813 18511
1179 1 3 . 1 1 64 64 GLY C C 62 171.274 171.274 172.216 -0.942 18511
1180 1 3 . 1 1 64 64 GLY CA C 62 44.826 44.826 45.170 -0.344 18511
1181 1 3 . 1 1 64 64 GLY H H 62 8.720 8.720 8.402 0.318 18511
1182 1 3 . 1 1 65 65 GLU N N 63 122.343 122.343 121.246 1.097 18511
1183 1 3 . 1 1 65 65 GLU HA H 63 5.134 5.134 4.959 0.175 18511
1184 1 3 . 1 1 65 65 GLU C C 63 175.900 175.900 175.716 0.184 18511
1185 1 3 . 1 1 65 65 GLU CA C 63 55.309 55.309 56.086 -0.777 18511
1186 1 3 . 1 1 65 65 GLU CB C 63 31.183 31.183 30.150 1.033 18511
1187 1 3 . 1 1 65 65 GLU H H 63 9.038 9.038 8.719 0.319 18511
1188 1 3 . 1 1 66 66 TYR N N 64 128.776 128.776 125.072 3.704 18511
1189 1 3 . 1 1 66 66 TYR HA H 64 5.769 5.769 5.110 0.659 18511
1190 1 3 . 1 1 66 66 TYR C C 64 174.157 174.157 175.624 -1.467 18511
1191 1 3 . 1 1 66 66 TYR CA C 64 56.596 56.596 57.272 -0.676 18511
1192 1 3 . 1 1 66 66 TYR CB C 64 40.857 40.857 39.158 1.699 18511
1193 1 3 . 1 1 66 66 TYR H H 64 9.984 9.984 9.243 0.741 18511
1194 1 3 . 1 1 67 67 LEU N N 65 125.560 125.560 126.276 -0.716 18511
1195 1 3 . 1 1 67 67 LEU HA H 65 5.360 5.360 5.103 0.257 18511
1196 1 3 . 1 1 67 67 LEU C C 65 174.617 174.617 176.256 -1.639 18511
1197 1 3 . 1 1 67 67 LEU CA C 65 53.294 53.294 53.845 -0.551 18511
1198 1 3 . 1 1 67 67 LEU CB C 65 46.296 46.296 43.336 2.960 18511
1199 1 3 . 1 1 67 67 LEU H H 65 9.385 9.385 9.175 0.210 18511
1200 1 3 . 1 1 68 68 CYS N N 66 127.135 127.135 129.094 -1.959 18511
1201 1 3 . 1 1 68 68 CYS HA H 66 3.994 3.994 3.854 0.140 18511
1202 1 3 . 1 1 68 68 CYS C C 66 172.383 172.383 174.076 -1.693 18511
1203 1 3 . 1 1 68 68 CYS CA C 66 57.828 57.828 57.400 0.428 18511
1204 1 3 . 1 1 68 68 CYS CB C 66 26.535 26.535 25.575 0.960 18511
1205 1 3 . 1 1 68 68 CYS H H 66 9.102 9.102 8.878 0.224 18511
1206 1 3 . 1 1 69 69 ASP N N 67 129.420 129.420 129.413 0.007 18511
1207 1 3 . 1 1 69 69 ASP HA H 67 4.953 4.953 4.612 0.341 18511
1208 1 3 . 1 1 69 69 ASP C C 67 173.128 173.128 174.417 -1.289 18511
1209 1 3 . 1 1 69 69 ASP CA C 67 53.459 53.459 53.998 -0.539 18511
1210 1 3 . 1 1 69 69 ASP CB C 67 44.249 44.249 41.621 2.628 18511
1211 1 3 . 1 1 69 69 ASP H H 67 9.296 9.296 8.372 0.924 18511
1212 1 3 . 1 1 70 70 ALA N N 68 129.162 129.162 128.237 0.925 18511
1213 1 3 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.668 0.386 18511
1214 1 3 . 1 1 70 70 ALA C C 68 175.108 175.108 176.094 -0.986 18511
1215 1 3 . 1 1 70 70 ALA CA C 68 49.404 49.404 49.557 -0.153 18511
1216 1 3 . 1 1 70 70 ALA CB C 68 21.402 21.402 18.748 2.654 18511
1217 1 3 . 1 1 70 70 ALA H H 68 8.179 8.179 7.674 0.505 18511
1218 1 3 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.122 0.043 18511
1219 1 3 . 1 1 71 71 PRO C C 69 177.840 177.840 177.491 0.349 18511
1220 1 3 . 1 1 71 71 PRO CA C 69 65.906 65.906 64.629 1.277 18511
1221 1 3 . 1 1 71 71 PRO CB C 69 31.744 31.744 31.984 -0.240 18511
1222 1 3 . 1 1 72 72 GLN N N 70 113.851 113.851 116.841 -2.990 18511
1223 1 3 . 1 1 72 72 GLN HA H 70 4.363 4.363 4.257 0.106 18511
1224 1 3 . 1 1 72 72 GLN C C 70 174.744 174.744 174.934 -0.190 18511
1225 1 3 . 1 1 72 72 GLN CA C 70 55.239 55.239 56.514 -1.275 18511
1226 1 3 . 1 1 72 72 GLN CB C 70 29.355 29.355 29.272 0.083 18511
1227 1 3 . 1 1 72 72 GLN H H 70 9.053 9.053 8.660 0.393 18511
1228 1 3 . 1 1 73 73 ASP N N 71 118.081 118.081 116.733 1.348 18511
1229 1 3 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.716 0.108 18511
1230 1 3 . 1 1 73 73 ASP C C 71 173.017 173.017 174.654 -1.637 18511
1231 1 3 . 1 1 73 73 ASP CA C 71 53.992 53.992 53.158 0.834 18511
1232 1 3 . 1 1 73 73 ASP CB C 71 44.449 44.449 42.505 1.944 18511
1233 1 3 . 1 1 73 73 ASP H H 71 7.336 7.336 7.939 -0.603 18511
1234 1 3 . 1 1 74 74 SER N N 72 114.356 114.356 118.197 -3.841 18511
1235 1 3 . 1 1 74 74 SER HA H 72 5.209 5.209 4.738 0.471 18511
1236 1 3 . 1 1 74 74 SER C C 72 174.189 174.189 174.298 -0.109 18511
1237 1 3 . 1 1 74 74 SER CA C 72 57.604 57.604 58.541 -0.937 18511
1238 1 3 . 1 1 74 74 SER CB C 72 64.697 64.697 63.915 0.782 18511
1239 1 3 . 1 1 74 74 SER H H 72 8.161 8.161 8.504 -0.343 18511
1240 1 3 . 1 1 75 75 ARG N N 73 122.793 122.793 126.711 -3.918 18511
1241 1 3 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.664 0.032 18511
1242 1 3 . 1 1 75 75 ARG C C 73 173.460 173.460 174.600 -1.140 18511
1243 1 3 . 1 1 75 75 ARG CA C 73 53.404 53.404 54.139 -0.735 18511
1244 1 3 . 1 1 75 75 ARG CB C 73 33.600 33.600 31.970 1.631 18511
1245 1 3 . 1 1 75 75 ARG H H 73 8.592 8.592 8.475 0.117 18511
1246 1 3 . 1 1 76 76 ILE N N 74 122.343 122.343 123.683 -1.340 18511
1247 1 3 . 1 1 76 76 ILE HA H 74 5.154 5.154 4.232 0.922 18511
1248 1 3 . 1 1 76 76 ILE C C 74 175.266 175.266 175.223 0.043 18511
1249 1 3 . 1 1 76 76 ILE CA C 74 59.620 59.620 61.528 -1.908 18511
1250 1 3 . 1 1 76 76 ILE CB C 74 40.889 40.889 38.304 2.584 18511
1251 1 3 . 1 1 76 76 ILE H H 74 8.262 8.262 8.602 -0.340 18511
1252 1 3 . 1 1 77 77 PHE N N 75 126.428 126.428 127.739 -1.311 18511
1253 1 3 . 1 1 77 77 PHE HA H 75 5.524 5.524 4.915 0.609 18511
1254 1 3 . 1 1 77 77 PHE C C 75 174.680 174.680 175.212 -0.532 18511
1255 1 3 . 1 1 77 77 PHE CA C 75 55.570 55.570 56.272 -0.702 18511
1256 1 3 . 1 1 77 77 PHE CB C 75 42.186 42.186 39.337 2.849 18511
1257 1 3 . 1 1 77 77 PHE H H 75 9.932 9.932 9.056 0.876 18511
1258 1 3 . 1 1 78 78 LEU N N 76 126.068 126.068 126.150 -0.082 18511
1259 1 3 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.426 0.698 18511
1260 1 3 . 1 1 78 78 LEU C C 76 176.138 176.138 176.338 -0.200 18511
1261 1 3 . 1 1 78 78 LEU CA C 76 53.799 53.799 54.778 -0.979 18511
1262 1 3 . 1 1 78 78 LEU CB C 76 41.851 41.851 40.903 0.949 18511
1263 1 3 . 1 1 78 78 LEU H H 76 9.091 9.091 8.554 0.537 18511
1264 1 3 . 1 1 79 79 VAL N N 77 129.130 129.130 127.689 1.441 18511
1265 1 3 . 1 1 79 79 VAL HA H 77 5.109 5.109 4.773 0.336 18511
1266 1 3 . 1 1 79 79 VAL C C 77 176.597 176.597 175.881 0.716 18511
1267 1 3 . 1 1 79 79 VAL CA C 77 61.384 61.384 61.126 0.258 18511
1268 1 3 . 1 1 79 79 VAL CB C 77 33.846 33.846 30.878 2.968 18511
1269 1 3 . 1 1 79 79 VAL H H 77 9.408 9.408 8.471 0.937 18511
1270 1 3 . 1 1 80 80 SER N N 78 124.016 124.016 124.564 -0.548 18511
1271 1 3 . 1 1 80 80 SER HA H 78 4.908 4.908 4.709 0.199 18511
1272 1 3 . 1 1 80 80 SER C C 78 172.431 172.431 173.790 -1.359 18511
1273 1 3 . 1 1 80 80 SER CA C 78 56.344 56.344 56.947 -0.603 18511
1274 1 3 . 1 1 80 80 SER CB C 78 65.164 65.164 63.364 1.800 18511
1275 1 3 . 1 1 80 80 SER H H 78 9.125 9.125 8.360 0.765 18511
1276 1 3 . 1 1 81 81 VAL N N 79 124.402 124.402 127.445 -3.043 18511
1277 1 3 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.400 0.135 18511
1278 1 3 . 1 1 81 81 VAL C C 79 174.744 174.744 176.445 -1.701 18511
1279 1 3 . 1 1 81 81 VAL CA C 79 61.028 61.028 62.484 -1.456 18511
1280 1 3 . 1 1 81 81 VAL CB C 79 32.741 32.741 30.205 2.536 18511
1281 1 3 . 1 1 81 81 VAL H H 79 8.638 8.638 8.803 -0.165 18511
1282 1 3 . 1 1 82 82 GLU N N 80 124.145 124.145 127.495 -3.350 18511
1283 1 3 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.619 -0.058 18511
1284 1 3 . 1 1 82 82 GLU C C 80 174.839 174.839 174.640 0.199 18511
1285 1 3 . 1 1 82 82 GLU CA C 80 54.664 54.664 54.806 -0.142 18511
1286 1 3 . 1 1 82 82 GLU CB C 80 32.237 32.237 32.342 -0.105 18511
1287 1 3 . 1 1 82 82 GLU H H 80 8.281 8.281 8.700 -0.419 18511
1288 1 3 . 1 1 83 83 GLU N N 81 123.244 123.244 118.971 4.273 18511
1289 1 3 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.129 0.310 18511
1290 1 3 . 1 1 83 83 GLU C C 81 173.841 173.841 174.292 -0.451 18511
1291 1 3 . 1 1 83 83 GLU CA C 81 54.611 54.611 55.859 -1.248 18511
1292 1 3 . 1 1 83 83 GLU CB C 81 29.046 29.046 28.975 0.071 18511
1293 1 3 . 1 1 83 83 GLU H H 81 8.656 8.656 8.637 0.019 18511
1294 1 4 . 1 1 4 4 THR N N 2 121.282 121.282 115.687 5.595 18511
1295 1 4 . 1 1 4 4 THR HA H 2 4.463 4.463 4.137 0.326 18511
1296 1 4 . 1 1 4 4 THR C C 2 173.255 173.255 173.947 -0.692 18511
1297 1 4 . 1 1 4 4 THR CA C 2 62.056 62.056 62.234 -0.179 18511
1298 1 4 . 1 1 4 4 THR CB C 2 70.955 70.955 68.703 2.252 18511
1299 1 4 . 1 1 4 4 THR H H 2 8.319 8.319 8.261 0.058 18511
1300 1 4 . 1 1 5 5 ARG N N 3 127.535 127.535 125.039 2.496 18511
1301 1 4 . 1 1 5 5 ARG HA H 3 5.083 5.083 4.938 0.145 18511
1302 1 4 . 1 1 5 5 ARG C C 3 175.694 175.694 175.413 0.281 18511
1303 1 4 . 1 1 5 5 ARG CA C 3 55.236 55.236 55.164 0.072 18511
1304 1 4 . 1 1 5 5 ARG CB C 3 30.776 30.776 31.993 -1.217 18511
1305 1 4 . 1 1 5 5 ARG H H 3 8.958 8.958 8.402 0.556 18511
1306 1 4 . 1 1 6 6 VAL N N 4 125.495 125.495 125.404 0.091 18511
1307 1 4 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.368 -0.036 18511
1308 1 4 . 1 1 6 6 VAL C C 4 173.365 173.365 174.855 -1.490 18511
1309 1 4 . 1 1 6 6 VAL CA C 4 61.473 61.473 60.907 0.566 18511
1310 1 4 . 1 1 6 6 VAL CB C 4 35.854 35.854 34.818 1.036 18511
1311 1 4 . 1 1 6 6 VAL H H 4 8.812 8.812 8.151 0.661 18511
1312 1 4 . 1 1 7 7 ARG N N 5 127.554 127.554 127.192 0.362 18511
1313 1 4 . 1 1 7 7 ARG HA H 5 5.175 5.175 4.598 0.577 18511
1314 1 4 . 1 1 7 7 ARG C C 5 175.694 175.694 175.515 0.179 18511
1315 1 4 . 1 1 7 7 ARG CA C 5 54.373 54.373 55.419 -1.046 18511
1316 1 4 . 1 1 7 7 ARG CB C 5 31.679 31.679 31.147 0.532 18511
1317 1 4 . 1 1 7 7 ARG H H 5 8.712 8.712 8.727 -0.015 18511
1318 1 4 . 1 1 8 8 SER N N 6 120.281 120.281 120.534 -0.253 18511
1319 1 4 . 1 1 8 8 SER HA H 6 4.762 4.762 4.801 -0.039 18511
1320 1 4 . 1 1 8 8 SER C C 6 173.555 173.555 173.026 0.529 18511
1321 1 4 . 1 1 8 8 SER CA C 6 56.428 56.428 56.333 0.095 18511
1322 1 4 . 1 1 8 8 SER CB C 6 65.450 65.450 65.177 0.273 18511
1323 1 4 . 1 1 8 8 SER H H 6 8.669 8.669 8.774 -0.105 18511
1324 1 4 . 1 1 9 9 THR N N 7 117.885 117.885 116.181 1.704 18511
1325 1 4 . 1 1 9 9 THR HA H 7 4.847 4.847 5.500 -0.653 18511
1326 1 4 . 1 1 9 9 THR C C 7 172.748 172.748 174.379 -1.631 18511
1327 1 4 . 1 1 9 9 THR CA C 7 59.436 59.436 57.862 1.574 18511
1328 1 4 . 1 1 9 9 THR CB C 7 69.938 69.938 69.961 -0.023 18511
1329 1 4 . 1 1 9 9 THR H H 7 8.362 8.362 8.593 -0.231 18511
1330 1 4 . 1 1 10 10 PRO HA H 8 4.060 4.060 4.568 -0.508 18511
1331 1 4 . 1 1 10 10 PRO C C 8 177.966 177.966 175.693 2.273 18511
1332 1 4 . 1 1 10 10 PRO CA C 8 63.484 63.484 62.704 0.780 18511
1333 1 4 . 1 1 10 10 PRO CB C 8 30.986 30.986 29.892 1.094 18511
1334 1 4 . 1 1 11 11 GLY N N 9 114.800 114.800 106.096 8.704 18511
1335 1 4 . 1 1 11 11 GLY C C 9 174.870 174.870 173.663 1.207 18511
1336 1 4 . 1 1 11 11 GLY CA C 9 45.147 45.147 45.692 -0.545 18511
1337 1 4 . 1 1 11 11 GLY H H 9 9.824 9.824 7.583 2.241 18511
1338 1 4 . 1 1 12 12 GLY N N 10 109.721 109.721 110.626 -0.905 18511
1339 1 4 . 1 1 12 12 GLY C C 10 171.924 171.924 171.917 0.007 18511
1340 1 4 . 1 1 12 12 GLY CA C 10 43.913 43.913 46.084 -2.171 18511
1341 1 4 . 1 1 12 12 GLY H H 10 8.172 8.172 7.639 0.533 18511
1342 1 4 . 1 1 13 13 ASP N N 11 119.275 119.275 119.771 -0.496 18511
1343 1 4 . 1 1 13 13 ASP HA H 11 5.316 5.316 5.131 0.185 18511
1344 1 4 . 1 1 13 13 ASP C C 11 176.185 176.185 174.635 1.550 18511
1345 1 4 . 1 1 13 13 ASP CA C 11 53.404 53.404 52.574 0.830 18511
1346 1 4 . 1 1 13 13 ASP CB C 11 41.309 41.309 44.149 -2.840 18511
1347 1 4 . 1 1 13 13 ASP H H 11 8.442 8.442 8.100 0.342 18511
1348 1 4 . 1 1 14 14 LEU N N 12 125.431 125.431 120.727 4.704 18511
1349 1 4 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.488 -0.062 18511
1350 1 4 . 1 1 14 14 LEU C C 12 174.934 174.934 175.266 -0.332 18511
1351 1 4 . 1 1 14 14 LEU CA C 12 53.697 53.697 54.352 -0.655 18511
1352 1 4 . 1 1 14 14 LEU CB C 12 44.170 44.170 44.724 -0.554 18511
1353 1 4 . 1 1 14 14 LEU H H 12 8.889 8.889 8.204 0.685 18511
1354 1 4 . 1 1 15 15 GLU N N 13 126.203 126.203 124.864 1.339 18511
1355 1 4 . 1 1 15 15 GLU HA H 13 4.901 4.901 4.848 0.053 18511
1356 1 4 . 1 1 15 15 GLU C C 13 173.555 173.555 175.071 -1.516 18511
1357 1 4 . 1 1 15 15 GLU CA C 13 55.168 55.168 55.268 -0.100 18511
1358 1 4 . 1 1 15 15 GLU CB C 13 32.489 32.489 32.175 0.314 18511
1359 1 4 . 1 1 15 15 GLU H H 13 8.469 8.469 8.361 0.108 18511
1360 1 4 . 1 1 16 16 LEU N N 14 127.480 127.480 129.543 -2.063 18511
1361 1 4 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.593 -0.371 18511
1362 1 4 . 1 1 16 16 LEU C C 14 174.221 174.221 175.451 -1.230 18511
1363 1 4 . 1 1 16 16 LEU CA C 14 52.900 52.900 53.725 -0.825 18511
1364 1 4 . 1 1 16 16 LEU CB C 14 40.861 40.861 42.412 -1.551 18511
1365 1 4 . 1 1 16 16 LEU H H 14 9.082 9.082 8.743 0.339 18511
1366 1 4 . 1 1 17 17 VAL N N 15 122.038 122.038 126.258 -4.220 18511
1367 1 4 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.504 0.257 18511
1368 1 4 . 1 1 17 17 VAL C C 15 175.330 175.330 175.765 -0.435 18511
1369 1 4 . 1 1 17 17 VAL CA C 15 61.468 61.468 61.879 -0.411 18511
1370 1 4 . 1 1 17 17 VAL CB C 15 33.749 33.749 32.032 1.717 18511
1371 1 4 . 1 1 17 17 VAL H H 15 8.105 8.105 8.460 -0.355 18511
1372 1 4 . 1 1 18 18 VAL N N 16 127.741 127.741 126.730 1.011 18511
1373 1 4 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.535 -0.250 18511
1374 1 4 . 1 1 18 18 VAL C C 16 173.555 173.555 175.398 -1.843 18511
1375 1 4 . 1 1 18 18 VAL CA C 16 61.020 61.020 61.268 -0.248 18511
1376 1 4 . 1 1 18 18 VAL CB C 16 35.604 35.604 33.621 1.983 18511
1377 1 4 . 1 1 18 18 VAL H H 16 9.335 9.335 8.408 0.927 18511
1378 1 4 . 1 1 19 19 HIS N N 17 126.695 126.695 122.533 4.162 18511
1379 1 4 . 1 1 19 19 HIS HA H 17 5.023 5.023 4.824 0.199 18511
1380 1 4 . 1 1 19 19 HIS C C 17 175.710 175.710 175.179 0.531 18511
1381 1 4 . 1 1 19 19 HIS CA C 17 55.225 55.225 54.707 0.518 18511
1382 1 4 . 1 1 19 19 HIS CB C 17 30.418 30.418 29.307 1.111 18511
1383 1 4 . 1 1 19 19 HIS H H 17 8.710 8.710 8.617 0.093 18511
1384 1 4 . 1 1 20 20 LEU N N 18 124.981 124.981 119.641 5.340 18511
1385 1 4 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.480 -0.169 18511
1386 1 4 . 1 1 20 20 LEU C C 18 177.357 177.357 178.039 -0.682 18511
1387 1 4 . 1 1 20 20 LEU CA C 18 54.162 54.162 54.828 -0.666 18511
1388 1 4 . 1 1 20 20 LEU CB C 18 43.005 43.005 41.880 1.125 18511
1389 1 4 . 1 1 20 20 LEU H H 18 8.941 8.941 7.880 1.061 18511
1390 1 4 . 1 1 21 21 SER N N 19 116.428 116.428 115.243 1.185 18511
1391 1 4 . 1 1 21 21 SER HA H 19 4.280 4.280 4.482 -0.202 18511
1392 1 4 . 1 1 21 21 SER C C 19 174.348 174.348 174.514 -0.166 18511
1393 1 4 . 1 1 21 21 SER CA C 19 59.696 59.696 58.276 1.420 18511
1394 1 4 . 1 1 21 21 SER CB C 19 63.364 63.364 62.115 1.249 18511
1395 1 4 . 1 1 21 21 SER H H 19 9.513 9.513 8.864 0.649 18511
1396 1 4 . 1 1 22 22 GLY N N 20 107.975 107.975 109.906 -1.931 18511
1397 1 4 . 1 1 22 22 GLY C C 20 171.306 171.306 172.016 -0.710 18511
1398 1 4 . 1 1 22 22 GLY CA C 20 44.193 44.193 42.923 1.270 18511
1399 1 4 . 1 1 22 22 GLY H H 20 7.532 7.532 7.597 -0.065 18511
1400 1 4 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.509 -0.146 18511
1401 1 4 . 1 1 23 23 PRO C C 21 177.141 177.141 177.359 -0.218 18511
1402 1 4 . 1 1 23 23 PRO CA C 21 63.096 63.096 63.174 -0.078 18511
1403 1 4 . 1 1 23 23 PRO CB C 21 32.105 32.105 32.821 -0.716 18511
1404 1 4 . 1 1 24 24 GLY N N 22 107.827 107.827 111.341 -3.514 18511
1405 1 4 . 1 1 24 24 GLY C C 22 173.270 173.270 173.559 -0.289 18511
1406 1 4 . 1 1 24 24 GLY CA C 22 45.013 45.013 45.437 -0.424 18511
1407 1 4 . 1 1 24 24 GLY H H 22 8.264 8.264 8.479 -0.215 18511
1408 1 4 . 1 1 25 25 GLY N N 23 108.700 108.700 107.334 1.366 18511
1409 1 4 . 1 1 25 25 GLY C C 23 170.292 170.292 171.858 -1.566 18511
1410 1 4 . 1 1 25 25 GLY CA C 23 43.573 43.573 45.026 -1.452 18511
1411 1 4 . 1 1 25 25 GLY H H 23 7.797 7.797 7.965 -0.168 18511
1412 1 4 . 1 1 26 26 PRO HA H 24 4.574 4.574 4.577 -0.003 18511
1413 1 4 . 1 1 26 26 PRO C C 24 175.331 175.331 175.480 -0.149 18511
1414 1 4 . 1 1 26 26 PRO CA C 24 62.105 62.105 62.814 -0.709 18511
1415 1 4 . 1 1 26 26 PRO CB C 24 34.842 34.842 31.909 2.933 18511
1416 1 4 . 1 1 27 27 VAL N N 25 121.565 121.565 123.685 -2.120 18511
1417 1 4 . 1 1 27 27 VAL HA H 25 4.662 4.662 4.242 0.420 18511
1418 1 4 . 1 1 27 27 VAL C C 25 175.742 175.742 175.846 -0.104 18511
1419 1 4 . 1 1 27 27 VAL CA C 25 61.384 61.384 61.682 -0.298 18511
1420 1 4 . 1 1 27 27 VAL CB C 25 32.971 32.971 31.820 1.151 18511
1421 1 4 . 1 1 27 27 VAL H H 25 8.579 8.579 8.297 0.282 18511
1422 1 4 . 1 1 28 28 ARG N N 26 127.876 127.876 127.618 0.258 18511
1423 1 4 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.534 0.048 18511
1424 1 4 . 1 1 28 28 ARG C C 26 173.144 173.144 174.661 -1.517 18511
1425 1 4 . 1 1 28 28 ARG CA C 26 54.861 54.861 54.557 0.304 18511
1426 1 4 . 1 1 28 28 ARG CB C 26 34.589 34.589 33.820 0.769 18511
1427 1 4 . 1 1 28 28 ARG H H 26 8.856 8.856 8.335 0.521 18511
1428 1 4 . 1 1 29 29 TRP N N 27 121.571 121.571 121.196 0.375 18511
1429 1 4 . 1 1 29 29 TRP HA H 27 5.986 5.986 5.435 0.551 18511
1430 1 4 . 1 1 29 29 TRP C C 27 175.932 175.932 175.867 0.065 18511
1431 1 4 . 1 1 29 29 TRP CA C 27 55.504 55.504 55.806 -0.302 18511
1432 1 4 . 1 1 29 29 TRP CB C 27 32.584 32.584 32.580 0.004 18511
1433 1 4 . 1 1 29 29 TRP H H 27 8.858 8.858 8.523 0.335 18511
1434 1 4 . 1 1 30 30 TYR N N 28 118.451 118.451 120.582 -2.131 18511
1435 1 4 . 1 1 30 30 TYR HA H 28 5.332 5.332 4.835 0.497 18511
1436 1 4 . 1 1 30 30 TYR C C 28 175.108 175.108 174.089 1.019 18511
1437 1 4 . 1 1 30 30 TYR CA C 28 55.924 55.924 57.042 -1.118 18511
1438 1 4 . 1 1 30 30 TYR CB C 28 43.194 43.194 43.020 0.174 18511
1439 1 4 . 1 1 30 30 TYR H H 28 9.605 9.605 8.881 0.724 18511
1440 1 4 . 1 1 31 31 LYS N N 29 120.638 120.638 120.228 0.410 18511
1441 1 4 . 1 1 31 31 LYS HA H 29 4.790 4.790 4.922 -0.132 18511
1442 1 4 . 1 1 31 31 LYS C C 29 176.565 176.565 176.462 0.103 18511
1443 1 4 . 1 1 31 31 LYS CA C 29 54.496 54.496 54.315 0.181 18511
1444 1 4 . 1 1 31 31 LYS CB C 29 35.345 35.345 35.081 0.264 18511
1445 1 4 . 1 1 31 31 LYS H H 29 9.055 9.055 8.814 0.241 18511
1446 1 4 . 1 1 32 32 ASP N N 30 131.009 131.009 127.906 3.103 18511
1447 1 4 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.254 0.192 18511
1448 1 4 . 1 1 32 32 ASP C C 30 176.344 176.344 176.181 0.163 18511
1449 1 4 . 1 1 32 32 ASP CA C 30 55.846 55.846 55.578 0.268 18511
1450 1 4 . 1 1 32 32 ASP CB C 30 40.289 40.289 39.328 0.962 18511
1451 1 4 . 1 1 32 32 ASP H H 30 10.006 10.006 8.872 1.134 18511
1452 1 4 . 1 1 33 33 GLY N N 31 102.658 102.658 104.651 -1.993 18511
1453 1 4 . 1 1 33 33 GLY C C 31 173.809 173.809 173.586 0.223 18511
1454 1 4 . 1 1 33 33 GLY CA C 31 45.127 45.127 45.081 0.045 18511
1455 1 4 . 1 1 33 33 GLY H H 31 8.903 8.903 8.705 0.198 18511
1456 1 4 . 1 1 34 34 GLU N N 32 121.796 121.796 121.318 0.478 18511
1457 1 4 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.796 -0.054 18511
1458 1 4 . 1 1 34 34 GLU C C 32 175.789 175.789 175.548 0.241 18511
1459 1 4 . 1 1 34 34 GLU CA C 32 54.496 54.496 54.366 0.130 18511
1460 1 4 . 1 1 34 34 GLU CB C 32 31.161 31.161 31.791 -0.630 18511
1461 1 4 . 1 1 34 34 GLU H H 32 8.152 8.152 7.860 0.292 18511
1462 1 4 . 1 1 35 35 ARG N N 33 126.589 126.589 126.398 0.191 18511
1463 1 4 . 1 1 35 35 ARG HA H 33 3.927 3.927 4.111 -0.184 18511
1464 1 4 . 1 1 35 35 ARG C C 33 176.296 176.296 175.279 1.017 18511
1465 1 4 . 1 1 35 35 ARG CA C 33 56.344 56.344 56.351 -0.007 18511
1466 1 4 . 1 1 35 35 ARG CB C 33 29.803 29.803 29.800 0.003 18511
1467 1 4 . 1 1 35 35 ARG H H 33 8.928 8.928 8.733 0.195 18511
1468 1 4 . 1 1 36 36 LEU N N 34 127.490 127.490 123.745 3.745 18511
1469 1 4 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.399 0.198 18511
1470 1 4 . 1 1 36 36 LEU C C 34 175.361 175.361 176.601 -1.240 18511
1471 1 4 . 1 1 36 36 LEU CA C 34 53.656 53.656 53.980 -0.324 18511
1472 1 4 . 1 1 36 36 LEU CB C 34 44.501 44.501 42.846 1.655 18511
1473 1 4 . 1 1 36 36 LEU H H 34 8.668 8.668 7.924 0.744 18511
1474 1 4 . 1 1 37 37 ALA N N 35 124.016 124.016 124.598 -0.582 18511
1475 1 4 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.567 -0.018 18511
1476 1 4 . 1 1 37 37 ALA C C 35 175.757 175.757 177.333 -1.576 18511
1477 1 4 . 1 1 37 37 ALA CA C 35 50.039 50.039 50.626 -0.587 18511
1478 1 4 . 1 1 37 37 ALA CB C 35 21.822 21.822 20.658 1.164 18511
1479 1 4 . 1 1 37 37 ALA H H 35 8.177 8.177 8.193 -0.016 18511
1480 1 4 . 1 1 38 38 SER N N 36 114.574 114.574 116.286 -1.712 18511
1481 1 4 . 1 1 38 38 SER HA H 36 4.440 4.440 4.568 -0.128 18511
1482 1 4 . 1 1 38 38 SER C C 36 174.005 174.005 175.004 -0.999 18511
1483 1 4 . 1 1 38 38 SER CA C 36 57.610 57.610 58.603 -0.993 18511
1484 1 4 . 1 1 38 38 SER CB C 36 62.056 62.056 61.925 0.131 18511
1485 1 4 . 1 1 38 38 SER H H 36 8.444 8.444 8.659 -0.215 18511
1486 1 4 . 1 1 39 39 GLN N N 37 126.057 126.057 124.991 1.066 18511
1487 1 4 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.247 0.205 18511
1488 1 4 . 1 1 39 39 GLN C C 37 175.599 175.599 176.506 -0.907 18511
1489 1 4 . 1 1 39 39 GLN CA C 37 55.433 55.433 57.418 -1.985 18511
1490 1 4 . 1 1 39 39 GLN CB C 37 29.970 29.970 29.271 0.699 18511
1491 1 4 . 1 1 39 39 GLN H H 37 8.477 8.477 8.290 0.187 18511
1492 1 4 . 1 1 41 41 ARG HA H 39 4.228 4.228 4.241 -0.013 18511
1493 1 4 . 1 1 41 41 ARG C C 39 174.776 174.776 175.608 -0.832 18511
1494 1 4 . 1 1 41 41 ARG CA C 39 57.143 57.143 57.437 -0.294 18511
1495 1 4 . 1 1 41 41 ARG CB C 39 30.504 30.504 30.544 -0.040 18511
1496 1 4 . 1 1 42 42 VAL N N 40 119.931 119.931 121.031 -1.100 18511
1497 1 4 . 1 1 42 42 VAL HA H 40 4.602 4.602 4.489 0.113 18511
1498 1 4 . 1 1 42 42 VAL C C 40 174.854 174.854 174.752 0.102 18511
1499 1 4 . 1 1 42 42 VAL CA C 40 61.663 61.663 61.857 -0.194 18511
1500 1 4 . 1 1 42 42 VAL CB C 40 32.800 32.800 30.218 2.582 18511
1501 1 4 . 1 1 42 42 VAL H H 40 7.662 7.662 7.701 -0.039 18511
1502 1 4 . 1 1 43 43 GLN N N 41 125.689 125.689 126.786 -1.097 18511
1503 1 4 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.624 -0.093 18511
1504 1 4 . 1 1 43 43 GLN C C 41 173.952 173.952 174.306 -0.354 18511
1505 1 4 . 1 1 43 43 GLN CA C 41 53.656 53.656 54.351 -0.695 18511
1506 1 4 . 1 1 43 43 GLN CB C 41 31.817 31.817 30.478 1.339 18511
1507 1 4 . 1 1 43 43 GLN H H 41 8.937 8.937 8.425 0.512 18511
1508 1 4 . 1 1 44 44 LEU N N 42 123.562 123.562 124.662 -1.100 18511
1509 1 4 . 1 1 44 44 LEU HA H 42 4.984 4.984 5.066 -0.082 18511
1510 1 4 . 1 1 44 44 LEU C C 42 176.565 176.565 176.490 0.075 18511
1511 1 4 . 1 1 44 44 LEU CA C 42 52.931 52.931 53.179 -0.248 18511
1512 1 4 . 1 1 44 44 LEU CB C 42 42.474 42.474 44.275 -1.801 18511
1513 1 4 . 1 1 44 44 LEU H H 42 8.231 8.231 8.556 -0.325 18511
1514 1 4 . 1 1 45 45 GLU N N 43 124.016 124.016 123.876 0.140 18511
1515 1 4 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.713 -0.057 18511
1516 1 4 . 1 1 45 45 GLU C C 43 175.346 175.346 175.056 0.290 18511
1517 1 4 . 1 1 45 45 GLU CA C 43 54.723 54.723 54.902 -0.179 18511
1518 1 4 . 1 1 45 45 GLU CB C 43 32.841 32.841 32.316 0.525 18511
1519 1 4 . 1 1 45 45 GLU H H 43 9.309 9.309 8.644 0.665 18511
1520 1 4 . 1 1 46 46 GLN N N 44 125.220 125.220 124.555 0.665 18511
1521 1 4 . 1 1 46 46 GLN HA H 44 4.928 4.928 5.069 -0.141 18511
1522 1 4 . 1 1 46 46 GLN C C 44 174.332 174.332 174.740 -0.408 18511
1523 1 4 . 1 1 46 46 GLN CA C 44 54.832 54.832 54.674 0.158 18511
1524 1 4 . 1 1 46 46 GLN CB C 44 30.726 30.726 29.051 1.675 18511
1525 1 4 . 1 1 46 46 GLN H H 44 8.825 8.825 8.863 -0.038 18511
1526 1 4 . 1 1 47 47 ALA N N 45 129.999 129.999 128.367 1.632 18511
1527 1 4 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.688 -0.016 18511
1528 1 4 . 1 1 47 47 ALA C C 45 177.056 177.056 176.494 0.562 18511
1529 1 4 . 1 1 47 47 ALA CA C 45 50.716 50.716 50.633 0.083 18511
1530 1 4 . 1 1 47 47 ALA CB C 45 18.798 18.798 21.596 -2.798 18511
1531 1 4 . 1 1 47 47 ALA H H 45 8.636 8.636 8.802 -0.166 18511
1532 1 4 . 1 1 48 48 GLY CA C 46 46.885 46.885 45.543 1.342 18511
1533 1 4 . 1 1 49 49 ALA HA H 47 4.183 4.183 3.978 0.205 18511
1534 1 4 . 1 1 49 49 ALA C C 47 176.586 176.586 176.856 -0.270 18511
1535 1 4 . 1 1 49 49 ALA CA C 47 53.068 53.068 53.589 -0.521 18511
1536 1 4 . 1 1 49 49 ALA CB C 47 18.714 18.714 17.679 1.035 18511
1537 1 4 . 1 1 50 50 ARG N N 48 119.282 119.282 122.556 -3.274 18511
1538 1 4 . 1 1 50 50 ARG HA H 48 4.635 4.635 4.724 -0.089 18511
1539 1 4 . 1 1 50 50 ARG C C 48 174.348 174.348 175.356 -1.008 18511
1540 1 4 . 1 1 50 50 ARG CA C 48 55.672 55.672 54.986 0.686 18511
1541 1 4 . 1 1 50 50 ARG CB C 48 31.413 31.413 30.177 1.236 18511
1542 1 4 . 1 1 50 50 ARG H H 48 7.725 7.725 7.676 0.049 18511
1543 1 4 . 1 1 51 51 GLN N N 49 125.499 125.499 124.940 0.559 18511
1544 1 4 . 1 1 51 51 GLN HA H 49 4.961 4.961 5.216 -0.255 18511
1545 1 4 . 1 1 51 51 GLN C C 49 174.427 174.427 175.107 -0.680 18511
1546 1 4 . 1 1 51 51 GLN CA C 49 53.404 53.404 54.197 -0.793 18511
1547 1 4 . 1 1 51 51 GLN CB C 49 30.133 30.133 31.263 -1.130 18511
1548 1 4 . 1 1 51 51 GLN H H 49 9.086 9.086 7.928 1.158 18511
1549 1 4 . 1 1 52 52 VAL N N 50 121.957 121.957 123.488 -1.531 18511
1550 1 4 . 1 1 52 52 VAL HA H 50 5.185 5.185 5.128 0.057 18511
1551 1 4 . 1 1 52 52 VAL C C 50 173.714 173.714 174.444 -0.730 18511
1552 1 4 . 1 1 52 52 VAL CA C 50 60.314 60.314 60.568 -0.254 18511
1553 1 4 . 1 1 52 52 VAL CB C 50 36.154 36.154 33.099 3.055 18511
1554 1 4 . 1 1 52 52 VAL H H 50 8.687 8.687 8.713 -0.026 18511
1555 1 4 . 1 1 53 53 LEU N N 51 129.580 129.580 129.534 0.046 18511
1556 1 4 . 1 1 53 53 LEU HA H 51 4.389 4.389 4.691 -0.302 18511
1557 1 4 . 1 1 53 53 LEU C C 51 174.427 174.427 174.536 -0.109 18511
1558 1 4 . 1 1 53 53 LEU CA C 51 53.536 53.536 52.740 0.796 18511
1559 1 4 . 1 1 53 53 LEU CB C 51 42.056 42.056 42.819 -0.763 18511
1560 1 4 . 1 1 53 53 LEU H H 51 8.380 8.380 7.494 0.886 18511
1561 1 4 . 1 1 54 54 ARG N N 52 125.706 125.706 126.197 -0.491 18511
1562 1 4 . 1 1 54 54 ARG HA H 52 5.255 5.255 4.881 0.374 18511
1563 1 4 . 1 1 54 54 ARG C C 52 174.981 174.981 174.706 0.275 18511
1564 1 4 . 1 1 54 54 ARG CA C 52 53.992 53.992 54.028 -0.036 18511
1565 1 4 . 1 1 54 54 ARG CB C 52 33.497 33.497 32.194 1.303 18511
1566 1 4 . 1 1 54 54 ARG H H 52 8.956 8.956 8.597 0.359 18511
1567 1 4 . 1 1 55 55 VAL N N 53 123.212 123.212 125.840 -2.628 18511
1568 1 4 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.093 0.526 18511
1569 1 4 . 1 1 55 55 VAL C C 53 175.124 175.124 174.723 0.401 18511
1570 1 4 . 1 1 55 55 VAL CA C 53 61.092 61.092 61.510 -0.417 18511
1571 1 4 . 1 1 55 55 VAL CB C 53 34.527 34.527 31.450 3.078 18511
1572 1 4 . 1 1 55 55 VAL H H 53 8.511 8.511 8.218 0.293 18511
1573 1 4 . 1 1 56 56 GLN N N 54 126.653 126.653 128.899 -2.246 18511
1574 1 4 . 1 1 56 56 GLN HA H 54 4.518 4.518 4.151 0.367 18511
1575 1 4 . 1 1 56 56 GLN C C 54 176.296 176.296 175.698 0.598 18511
1576 1 4 . 1 1 56 56 GLN CA C 54 55.022 55.022 56.255 -1.233 18511
1577 1 4 . 1 1 56 56 GLN CB C 54 29.749 29.749 28.194 1.555 18511
1578 1 4 . 1 1 56 56 GLN H H 54 8.509 8.509 8.046 0.463 18511
1579 1 4 . 1 1 57 57 GLY N N 55 114.559 114.559 111.678 2.881 18511
1580 1 4 . 1 1 57 57 GLY C C 55 174.585 174.585 172.979 1.606 18511
1581 1 4 . 1 1 57 57 GLY CA C 55 47.319 47.319 44.487 2.832 18511
1582 1 4 . 1 1 57 57 GLY H H 55 8.420 8.420 7.833 0.587 18511
1583 1 4 . 1 1 58 58 ALA N N 56 122.793 122.793 123.020 -0.227 18511
1584 1 4 . 1 1 58 58 ALA HA H 56 4.088 4.088 4.446 -0.358 18511
1585 1 4 . 1 1 58 58 ALA C C 56 177.120 177.120 175.704 1.416 18511
1586 1 4 . 1 1 58 58 ALA CA C 56 53.051 53.051 52.115 0.936 18511
1587 1 4 . 1 1 58 58 ALA CB C 56 18.051 18.051 19.389 -1.338 18511
1588 1 4 . 1 1 58 58 ALA H H 56 8.977 8.977 7.833 1.144 18511
1589 1 4 . 1 1 59 59 ARG N N 57 122.118 122.118 123.635 -1.517 18511
1590 1 4 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.443 0.308 18511
1591 1 4 . 1 1 59 59 ARG C C 57 177.231 177.231 175.777 1.454 18511
1592 1 4 . 1 1 59 59 ARG CA C 57 53.236 53.236 57.429 -4.193 18511
1593 1 4 . 1 1 59 59 ARG CB C 57 33.526 33.526 31.728 1.798 18511
1594 1 4 . 1 1 59 59 ARG H H 57 9.709 9.709 8.742 0.967 18511
1595 1 4 . 1 1 61 61 GLY C C 59 174.202 174.202 175.004 -0.802 18511
1596 1 4 . 1 1 61 61 GLY CA C 59 45.899 45.899 45.530 0.369 18511
1597 1 4 . 1 1 62 62 ASP N N 60 116.489 116.489 121.305 -4.816 18511
1598 1 4 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.567 0.104 18511
1599 1 4 . 1 1 62 62 ASP C C 60 176.692 176.692 175.991 0.701 18511
1600 1 4 . 1 1 62 62 ASP CA C 60 54.854 54.854 55.492 -0.638 18511
1601 1 4 . 1 1 62 62 ASP CB C 60 41.130 41.130 41.136 -0.007 18511
1602 1 4 . 1 1 62 62 ASP H H 60 8.300 8.300 8.152 0.148 18511
1603 1 4 . 1 1 63 63 ALA N N 61 122.793 122.793 121.392 1.401 18511
1604 1 4 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.508 -0.403 18511
1605 1 4 . 1 1 63 63 ALA C C 61 176.581 176.581 176.877 -0.296 18511
1606 1 4 . 1 1 63 63 ALA CA C 61 52.732 52.732 52.765 -0.033 18511
1607 1 4 . 1 1 63 63 ALA CB C 61 19.806 19.806 18.769 1.037 18511
1608 1 4 . 1 1 63 63 ALA H H 61 7.551 7.551 7.259 0.292 18511
1609 1 4 . 1 1 64 64 GLY N N 62 108.029 108.029 112.645 -4.616 18511
1610 1 4 . 1 1 64 64 GLY C C 62 171.274 171.274 172.456 -1.182 18511
1611 1 4 . 1 1 64 64 GLY CA C 62 44.826 44.826 45.415 -0.589 18511
1612 1 4 . 1 1 64 64 GLY H H 62 8.720 8.720 8.210 0.510 18511
1613 1 4 . 1 1 65 65 GLU N N 63 122.343 122.343 121.267 1.076 18511
1614 1 4 . 1 1 65 65 GLU HA H 63 5.134 5.134 5.443 -0.309 18511
1615 1 4 . 1 1 65 65 GLU C C 63 175.900 175.900 175.980 -0.080 18511
1616 1 4 . 1 1 65 65 GLU CA C 63 55.309 55.309 55.056 0.253 18511
1617 1 4 . 1 1 65 65 GLU CB C 63 31.183 31.183 29.972 1.211 18511
1618 1 4 . 1 1 65 65 GLU H H 63 9.038 9.038 8.529 0.509 18511
1619 1 4 . 1 1 66 66 TYR N N 64 128.776 128.776 125.330 3.446 18511
1620 1 4 . 1 1 66 66 TYR HA H 64 5.769 5.769 5.266 0.503 18511
1621 1 4 . 1 1 66 66 TYR C C 64 174.157 174.157 175.670 -1.513 18511
1622 1 4 . 1 1 66 66 TYR CA C 64 56.596 56.596 57.128 -0.532 18511
1623 1 4 . 1 1 66 66 TYR CB C 64 40.857 40.857 39.605 1.252 18511
1624 1 4 . 1 1 66 66 TYR H H 64 9.984 9.984 9.128 0.856 18511
1625 1 4 . 1 1 67 67 LEU N N 65 125.560 125.560 126.971 -1.411 18511
1626 1 4 . 1 1 67 67 LEU HA H 65 5.360 5.360 4.981 0.379 18511
1627 1 4 . 1 1 67 67 LEU C C 65 174.617 174.617 176.355 -1.738 18511
1628 1 4 . 1 1 67 67 LEU CA C 65 53.294 53.294 54.260 -0.966 18511
1629 1 4 . 1 1 67 67 LEU CB C 65 46.296 46.296 42.860 3.436 18511
1630 1 4 . 1 1 67 67 LEU H H 65 9.385 9.385 9.015 0.370 18511
1631 1 4 . 1 1 68 68 CYS N N 66 127.135 127.135 129.786 -2.651 18511
1632 1 4 . 1 1 68 68 CYS HA H 66 3.994 3.994 4.300 -0.306 18511
1633 1 4 . 1 1 68 68 CYS C C 66 172.383 172.383 173.920 -1.537 18511
1634 1 4 . 1 1 68 68 CYS CA C 66 57.828 57.828 57.112 0.716 18511
1635 1 4 . 1 1 68 68 CYS CB C 66 26.535 26.535 27.310 -0.775 18511
1636 1 4 . 1 1 68 68 CYS H H 66 9.102 9.102 9.161 -0.059 18511
1637 1 4 . 1 1 69 69 ASP N N 67 129.420 129.420 129.187 0.233 18511
1638 1 4 . 1 1 69 69 ASP HA H 67 4.953 4.953 4.652 0.301 18511
1639 1 4 . 1 1 69 69 ASP C C 67 173.128 173.128 174.591 -1.463 18511
1640 1 4 . 1 1 69 69 ASP CA C 67 53.459 53.459 53.103 0.356 18511
1641 1 4 . 1 1 69 69 ASP CB C 67 44.249 44.249 41.523 2.726 18511
1642 1 4 . 1 1 69 69 ASP H H 67 9.296 9.296 8.412 0.884 18511
1643 1 4 . 1 1 70 70 ALA N N 68 129.162 129.162 128.780 0.382 18511
1644 1 4 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.575 0.479 18511
1645 1 4 . 1 1 70 70 ALA C C 68 175.108 175.108 175.561 -0.453 18511
1646 1 4 . 1 1 70 70 ALA CA C 68 49.404 49.404 49.431 -0.027 18511
1647 1 4 . 1 1 70 70 ALA CB C 68 21.402 21.402 19.153 2.249 18511
1648 1 4 . 1 1 70 70 ALA H H 68 8.179 8.179 7.657 0.522 18511
1649 1 4 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.171 -0.007 18511
1650 1 4 . 1 1 71 71 PRO C C 69 177.840 177.840 177.580 0.260 18511
1651 1 4 . 1 1 71 71 PRO CA C 69 65.906 65.906 64.624 1.282 18511
1652 1 4 . 1 1 71 71 PRO CB C 69 31.744 31.744 32.073 -0.329 18511
1653 1 4 . 1 1 72 72 GLN N N 70 113.851 113.851 117.064 -3.213 18511
1654 1 4 . 1 1 72 72 GLN HA H 70 4.363 4.363 4.262 0.101 18511
1655 1 4 . 1 1 72 72 GLN C C 70 174.744 174.744 175.132 -0.388 18511
1656 1 4 . 1 1 72 72 GLN CA C 70 55.239 55.239 56.662 -1.423 18511
1657 1 4 . 1 1 72 72 GLN CB C 70 29.355 29.355 29.265 0.090 18511
1658 1 4 . 1 1 72 72 GLN H H 70 9.053 9.053 8.358 0.695 18511
1659 1 4 . 1 1 73 73 ASP N N 71 118.081 118.081 117.437 0.644 18511
1660 1 4 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.638 0.185 18511
1661 1 4 . 1 1 73 73 ASP C C 71 173.017 173.017 174.605 -1.588 18511
1662 1 4 . 1 1 73 73 ASP CA C 71 53.992 53.992 53.571 0.421 18511
1663 1 4 . 1 1 73 73 ASP CB C 71 44.449 44.449 42.068 2.381 18511
1664 1 4 . 1 1 73 73 ASP H H 71 7.336 7.336 7.988 -0.652 18511
1665 1 4 . 1 1 74 74 SER N N 72 114.356 114.356 118.885 -4.529 18511
1666 1 4 . 1 1 74 74 SER HA H 72 5.209 5.209 4.660 0.549 18511
1667 1 4 . 1 1 74 74 SER C C 72 174.189 174.189 174.150 0.039 18511
1668 1 4 . 1 1 74 74 SER CA C 72 57.604 57.604 58.911 -1.308 18511
1669 1 4 . 1 1 74 74 SER CB C 72 64.697 64.697 64.000 0.697 18511
1670 1 4 . 1 1 74 74 SER H H 72 8.161 8.161 8.375 -0.214 18511
1671 1 4 . 1 1 75 75 ARG N N 73 122.793 122.793 125.456 -2.663 18511
1672 1 4 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.600 0.096 18511
1673 1 4 . 1 1 75 75 ARG C C 73 173.460 173.460 174.267 -0.807 18511
1674 1 4 . 1 1 75 75 ARG CA C 73 53.404 53.404 54.741 -1.337 18511
1675 1 4 . 1 1 75 75 ARG CB C 73 33.600 33.600 32.425 1.175 18511
1676 1 4 . 1 1 75 75 ARG H H 73 8.592 8.592 8.683 -0.091 18511
1677 1 4 . 1 1 76 76 ILE N N 74 122.343 122.343 125.903 -3.560 18511
1678 1 4 . 1 1 76 76 ILE HA H 74 5.154 5.154 4.339 0.815 18511
1679 1 4 . 1 1 76 76 ILE C C 74 175.266 175.266 175.537 -0.271 18511
1680 1 4 . 1 1 76 76 ILE CA C 74 59.620 59.620 60.337 -0.717 18511
1681 1 4 . 1 1 76 76 ILE CB C 74 40.889 40.889 38.795 2.094 18511
1682 1 4 . 1 1 76 76 ILE H H 74 8.262 8.262 8.593 -0.331 18511
1683 1 4 . 1 1 77 77 PHE N N 75 126.428 126.428 127.508 -1.080 18511
1684 1 4 . 1 1 77 77 PHE HA H 75 5.524 5.524 5.219 0.305 18511
1685 1 4 . 1 1 77 77 PHE C C 75 174.680 174.680 175.752 -1.072 18511
1686 1 4 . 1 1 77 77 PHE CA C 75 55.570 55.570 56.961 -1.391 18511
1687 1 4 . 1 1 77 77 PHE CB C 75 42.186 42.186 41.387 0.799 18511
1688 1 4 . 1 1 77 77 PHE H H 75 9.932 9.932 9.014 0.918 18511
1689 1 4 . 1 1 78 78 LEU N N 76 126.068 126.068 126.433 -0.365 18511
1690 1 4 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.673 0.451 18511
1691 1 4 . 1 1 78 78 LEU C C 76 176.138 176.138 175.918 0.220 18511
1692 1 4 . 1 1 78 78 LEU CA C 76 53.799 53.799 54.327 -0.528 18511
1693 1 4 . 1 1 78 78 LEU CB C 76 41.851 41.851 41.606 0.245 18511
1694 1 4 . 1 1 78 78 LEU H H 76 9.091 9.091 9.010 0.081 18511
1695 1 4 . 1 1 79 79 VAL N N 77 129.130 129.130 126.860 2.270 18511
1696 1 4 . 1 1 79 79 VAL HA H 77 5.109 5.109 5.008 0.101 18511
1697 1 4 . 1 1 79 79 VAL C C 77 176.597 176.597 175.738 0.859 18511
1698 1 4 . 1 1 79 79 VAL CA C 77 61.384 61.384 61.746 -0.362 18511
1699 1 4 . 1 1 79 79 VAL CB C 77 33.846 33.846 33.019 0.827 18511
1700 1 4 . 1 1 79 79 VAL H H 77 9.408 9.408 8.439 0.969 18511
1701 1 4 . 1 1 80 80 SER N N 78 124.016 124.016 123.012 1.004 18511
1702 1 4 . 1 1 80 80 SER HA H 78 4.908 4.908 4.816 0.092 18511
1703 1 4 . 1 1 80 80 SER C C 78 172.431 172.431 173.219 -0.788 18511
1704 1 4 . 1 1 80 80 SER CA C 78 56.344 56.344 56.822 -0.478 18511
1705 1 4 . 1 1 80 80 SER CB C 78 65.164 65.164 64.589 0.575 18511
1706 1 4 . 1 1 80 80 SER H H 78 9.125 9.125 8.341 0.784 18511
1707 1 4 . 1 1 81 81 VAL N N 79 124.402 124.402 127.460 -3.058 18511
1708 1 4 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.375 0.160 18511
1709 1 4 . 1 1 81 81 VAL C C 79 174.744 174.744 176.409 -1.665 18511
1710 1 4 . 1 1 81 81 VAL CA C 79 61.028 61.028 62.253 -1.225 18511
1711 1 4 . 1 1 81 81 VAL CB C 79 32.741 32.741 30.495 2.246 18511
1712 1 4 . 1 1 81 81 VAL H H 79 8.638 8.638 8.886 -0.248 18511
1713 1 4 . 1 1 82 82 GLU N N 80 124.145 124.145 126.286 -2.141 18511
1714 1 4 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.593 -0.032 18511
1715 1 4 . 1 1 82 82 GLU C C 80 174.839 174.839 174.843 -0.004 18511
1716 1 4 . 1 1 82 82 GLU CA C 80 54.664 54.664 54.919 -0.255 18511
1717 1 4 . 1 1 82 82 GLU CB C 80 32.237 32.237 31.746 0.491 18511
1718 1 4 . 1 1 82 82 GLU H H 80 8.281 8.281 8.784 -0.503 18511
1719 1 4 . 1 1 83 83 GLU N N 81 123.244 123.244 118.992 4.252 18511
1720 1 4 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.141 0.298 18511
1721 1 4 . 1 1 83 83 GLU C C 81 173.841 173.841 174.447 -0.606 18511
1722 1 4 . 1 1 83 83 GLU CA C 81 54.611 54.611 55.816 -1.205 18511
1723 1 4 . 1 1 83 83 GLU CB C 81 29.046 29.046 28.935 0.111 18511
1724 1 4 . 1 1 83 83 GLU H H 81 8.656 8.656 8.638 0.018 18511
1725 1 5 . 1 1 4 4 THR N N 2 121.282 121.282 120.230 1.052 18511
1726 1 5 . 1 1 4 4 THR HA H 2 4.463 4.463 4.230 0.233 18511
1727 1 5 . 1 1 4 4 THR C C 2 173.255 173.255 173.497 -0.242 18511
1728 1 5 . 1 1 4 4 THR CA C 2 62.056 62.056 62.192 -0.136 18511
1729 1 5 . 1 1 4 4 THR CB C 2 70.955 70.955 67.329 3.626 18511
1730 1 5 . 1 1 4 4 THR H H 2 8.319 8.319 8.349 -0.030 18511
1731 1 5 . 1 1 5 5 ARG N N 3 127.535 127.535 126.566 0.969 18511
1732 1 5 . 1 1 5 5 ARG HA H 3 5.083 5.083 4.439 0.644 18511
1733 1 5 . 1 1 5 5 ARG C C 3 175.694 175.694 175.304 0.390 18511
1734 1 5 . 1 1 5 5 ARG CA C 3 55.236 55.236 55.759 -0.523 18511
1735 1 5 . 1 1 5 5 ARG CB C 3 30.776 30.776 31.599 -0.823 18511
1736 1 5 . 1 1 5 5 ARG H H 3 8.958 8.958 8.056 0.902 18511
1737 1 5 . 1 1 6 6 VAL N N 4 125.495 125.495 123.176 2.319 18511
1738 1 5 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.335 -0.003 18511
1739 1 5 . 1 1 6 6 VAL C C 4 173.365 173.365 174.612 -1.247 18511
1740 1 5 . 1 1 6 6 VAL CA C 4 61.473 61.473 60.424 1.049 18511
1741 1 5 . 1 1 6 6 VAL CB C 4 35.854 35.854 35.493 0.361 18511
1742 1 5 . 1 1 6 6 VAL H H 4 8.812 8.812 8.319 0.493 18511
1743 1 5 . 1 1 7 7 ARG N N 5 127.554 127.554 126.114 1.440 18511
1744 1 5 . 1 1 7 7 ARG HA H 5 5.175 5.175 4.826 0.349 18511
1745 1 5 . 1 1 7 7 ARG C C 5 175.694 175.694 175.359 0.335 18511
1746 1 5 . 1 1 7 7 ARG CA C 5 54.373 54.373 55.542 -1.169 18511
1747 1 5 . 1 1 7 7 ARG CB C 5 31.679 31.679 31.762 -0.083 18511
1748 1 5 . 1 1 7 7 ARG H H 5 8.712 8.712 8.636 0.076 18511
1749 1 5 . 1 1 8 8 SER N N 6 120.281 120.281 118.621 1.660 18511
1750 1 5 . 1 1 8 8 SER HA H 6 4.762 4.762 4.787 -0.025 18511
1751 1 5 . 1 1 8 8 SER C C 6 173.555 173.555 172.770 0.785 18511
1752 1 5 . 1 1 8 8 SER CA C 6 56.428 56.428 56.338 0.090 18511
1753 1 5 . 1 1 8 8 SER CB C 6 65.450 65.450 65.426 0.024 18511
1754 1 5 . 1 1 8 8 SER H H 6 8.669 8.669 8.545 0.124 18511
1755 1 5 . 1 1 9 9 THR N N 7 117.885 117.885 114.709 3.176 18511
1756 1 5 . 1 1 9 9 THR HA H 7 4.847 4.847 5.073 -0.226 18511
1757 1 5 . 1 1 9 9 THR C C 7 172.748 172.748 172.762 -0.014 18511
1758 1 5 . 1 1 9 9 THR CA C 7 59.436 59.436 58.548 0.888 18511
1759 1 5 . 1 1 9 9 THR CB C 7 69.938 69.938 69.843 0.095 18511
1760 1 5 . 1 1 9 9 THR H H 7 8.362 8.362 8.440 -0.078 18511
1761 1 5 . 1 1 10 10 PRO HA H 8 4.060 4.060 4.122 -0.062 18511
1762 1 5 . 1 1 10 10 PRO C C 8 177.966 177.966 177.526 0.440 18511
1763 1 5 . 1 1 10 10 PRO CA C 8 63.484 63.484 64.078 -0.594 18511
1764 1 5 . 1 1 10 10 PRO CB C 8 30.986 30.986 30.958 0.028 18511
1765 1 5 . 1 1 11 11 GLY N N 9 114.800 114.800 113.236 1.564 18511
1766 1 5 . 1 1 11 11 GLY C C 9 174.870 174.870 175.088 -0.218 18511
1767 1 5 . 1 1 11 11 GLY CA C 9 45.147 45.147 45.083 0.064 18511
1768 1 5 . 1 1 11 11 GLY H H 9 9.824 9.824 8.265 1.559 18511
1769 1 5 . 1 1 12 12 GLY N N 10 109.721 109.721 108.882 0.839 18511
1770 1 5 . 1 1 12 12 GLY C C 10 171.924 171.924 172.462 -0.538 18511
1771 1 5 . 1 1 12 12 GLY CA C 10 43.913 43.913 43.698 0.215 18511
1772 1 5 . 1 1 12 12 GLY H H 10 8.172 8.172 7.664 0.508 18511
1773 1 5 . 1 1 13 13 ASP N N 11 119.275 119.275 118.743 0.532 18511
1774 1 5 . 1 1 13 13 ASP HA H 11 5.316 5.316 4.860 0.456 18511
1775 1 5 . 1 1 13 13 ASP C C 11 176.185 176.185 175.821 0.364 18511
1776 1 5 . 1 1 13 13 ASP CA C 11 53.404 53.404 53.054 0.349 18511
1777 1 5 . 1 1 13 13 ASP CB C 11 41.309 41.309 42.111 -0.803 18511
1778 1 5 . 1 1 13 13 ASP H H 11 8.442 8.442 8.294 0.148 18511
1779 1 5 . 1 1 14 14 LEU N N 12 125.431 125.431 122.172 3.259 18511
1780 1 5 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.406 0.020 18511
1781 1 5 . 1 1 14 14 LEU C C 12 174.934 174.934 175.817 -0.883 18511
1782 1 5 . 1 1 14 14 LEU CA C 12 53.697 53.697 54.776 -1.079 18511
1783 1 5 . 1 1 14 14 LEU CB C 12 44.170 44.170 43.881 0.289 18511
1784 1 5 . 1 1 14 14 LEU H H 12 8.889 8.889 8.147 0.742 18511
1785 1 5 . 1 1 15 15 GLU N N 13 126.203 126.203 124.745 1.458 18511
1786 1 5 . 1 1 15 15 GLU HA H 13 4.901 4.901 4.648 0.253 18511
1787 1 5 . 1 1 15 15 GLU C C 13 173.555 173.555 175.044 -1.489 18511
1788 1 5 . 1 1 15 15 GLU CA C 13 55.168 55.168 55.209 -0.041 18511
1789 1 5 . 1 1 15 15 GLU CB C 13 32.489 32.489 32.111 0.378 18511
1790 1 5 . 1 1 15 15 GLU H H 13 8.469 8.469 8.335 0.134 18511
1791 1 5 . 1 1 16 16 LEU N N 14 127.480 127.480 129.619 -2.139 18511
1792 1 5 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.696 -0.474 18511
1793 1 5 . 1 1 16 16 LEU C C 14 174.221 174.221 175.684 -1.463 18511
1794 1 5 . 1 1 16 16 LEU CA C 14 52.900 52.900 54.015 -1.115 18511
1795 1 5 . 1 1 16 16 LEU CB C 14 40.861 40.861 42.516 -1.655 18511
1796 1 5 . 1 1 16 16 LEU H H 14 9.082 9.082 8.689 0.393 18511
1797 1 5 . 1 1 17 17 VAL N N 15 122.038 122.038 126.293 -4.255 18511
1798 1 5 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.395 0.366 18511
1799 1 5 . 1 1 17 17 VAL C C 15 175.330 175.330 175.892 -0.562 18511
1800 1 5 . 1 1 17 17 VAL CA C 15 61.468 61.468 62.144 -0.676 18511
1801 1 5 . 1 1 17 17 VAL CB C 15 33.749 33.749 32.014 1.735 18511
1802 1 5 . 1 1 17 17 VAL H H 15 8.105 8.105 8.551 -0.446 18511
1803 1 5 . 1 1 18 18 VAL N N 16 127.741 127.741 128.819 -1.078 18511
1804 1 5 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.502 -0.217 18511
1805 1 5 . 1 1 18 18 VAL C C 16 173.555 173.555 174.988 -1.433 18511
1806 1 5 . 1 1 18 18 VAL CA C 16 61.020 61.020 61.897 -0.877 18511
1807 1 5 . 1 1 18 18 VAL CB C 16 35.604 35.604 32.703 2.901 18511
1808 1 5 . 1 1 18 18 VAL H H 16 9.335 9.335 8.372 0.963 18511
1809 1 5 . 1 1 19 19 HIS N N 17 126.695 126.695 126.332 0.363 18511
1810 1 5 . 1 1 19 19 HIS HA H 17 5.023 5.023 4.858 0.165 18511
1811 1 5 . 1 1 19 19 HIS C C 17 175.710 175.710 175.184 0.526 18511
1812 1 5 . 1 1 19 19 HIS CA C 17 55.225 55.225 54.543 0.682 18511
1813 1 5 . 1 1 19 19 HIS CB C 17 30.418 30.418 28.716 1.702 18511
1814 1 5 . 1 1 19 19 HIS H H 17 8.710 8.710 8.845 -0.135 18511
1815 1 5 . 1 1 20 20 LEU N N 18 124.981 124.981 122.432 2.549 18511
1816 1 5 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.214 0.097 18511
1817 1 5 . 1 1 20 20 LEU C C 18 177.357 177.357 177.846 -0.489 18511
1818 1 5 . 1 1 20 20 LEU CA C 18 54.162 54.162 56.222 -2.060 18511
1819 1 5 . 1 1 20 20 LEU CB C 18 43.005 43.005 42.449 0.556 18511
1820 1 5 . 1 1 20 20 LEU H H 18 8.941 8.941 8.495 0.446 18511
1821 1 5 . 1 1 21 21 SER N N 19 116.428 116.428 117.016 -0.588 18511
1822 1 5 . 1 1 21 21 SER HA H 19 4.280 4.280 4.456 -0.176 18511
1823 1 5 . 1 1 21 21 SER C C 19 174.348 174.348 174.867 -0.519 18511
1824 1 5 . 1 1 21 21 SER CA C 19 59.696 59.696 59.734 -0.038 18511
1825 1 5 . 1 1 21 21 SER CB C 19 63.364 63.364 63.819 -0.455 18511
1826 1 5 . 1 1 21 21 SER H H 19 9.513 9.513 8.909 0.604 18511
1827 1 5 . 1 1 22 22 GLY N N 20 107.975 107.975 109.928 -1.953 18511
1828 1 5 . 1 1 22 22 GLY C C 20 171.306 171.306 171.800 -0.494 18511
1829 1 5 . 1 1 22 22 GLY CA C 20 44.193 44.193 43.441 0.752 18511
1830 1 5 . 1 1 22 22 GLY H H 20 7.532 7.532 7.890 -0.358 18511
1831 1 5 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.455 -0.092 18511
1832 1 5 . 1 1 23 23 PRO C C 21 177.141 177.141 176.603 0.538 18511
1833 1 5 . 1 1 23 23 PRO CA C 21 63.096 63.096 62.279 0.817 18511
1834 1 5 . 1 1 23 23 PRO CB C 21 32.105 32.105 33.159 -1.054 18511
1835 1 5 . 1 1 24 24 GLY N N 22 107.827 107.827 105.640 2.187 18511
1836 1 5 . 1 1 24 24 GLY C C 22 173.270 173.270 172.563 0.707 18511
1837 1 5 . 1 1 24 24 GLY CA C 22 45.013 45.013 45.281 -0.267 18511
1838 1 5 . 1 1 24 24 GLY H H 22 8.264 8.264 8.162 0.102 18511
1839 1 5 . 1 1 25 25 GLY N N 23 108.700 108.700 107.213 1.487 18511
1840 1 5 . 1 1 25 25 GLY C C 23 170.292 170.292 172.275 -1.983 18511
1841 1 5 . 1 1 25 25 GLY CA C 23 43.573 43.573 44.498 -0.925 18511
1842 1 5 . 1 1 25 25 GLY H H 23 7.797 7.797 7.918 -0.121 18511
1843 1 5 . 1 1 26 26 PRO HA H 24 4.574 4.574 4.583 -0.009 18511
1844 1 5 . 1 1 26 26 PRO C C 24 175.331 175.331 175.773 -0.442 18511
1845 1 5 . 1 1 26 26 PRO CA C 24 62.105 62.105 62.319 -0.214 18511
1846 1 5 . 1 1 26 26 PRO CB C 24 34.842 34.842 33.065 1.777 18511
1847 1 5 . 1 1 27 27 VAL N N 25 121.565 121.565 119.910 1.655 18511
1848 1 5 . 1 1 27 27 VAL HA H 25 4.662 4.662 4.412 0.250 18511
1849 1 5 . 1 1 27 27 VAL C C 25 175.742 175.742 175.853 -0.111 18511
1850 1 5 . 1 1 27 27 VAL CA C 25 61.384 61.384 61.096 0.288 18511
1851 1 5 . 1 1 27 27 VAL CB C 25 32.971 32.971 33.886 -0.915 18511
1852 1 5 . 1 1 27 27 VAL H H 25 8.579 8.579 8.321 0.258 18511
1853 1 5 . 1 1 28 28 ARG N N 26 127.876 127.876 126.356 1.520 18511
1854 1 5 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.498 0.084 18511
1855 1 5 . 1 1 28 28 ARG C C 26 173.144 173.144 174.797 -1.653 18511
1856 1 5 . 1 1 28 28 ARG CA C 26 54.861 54.861 54.937 -0.076 18511
1857 1 5 . 1 1 28 28 ARG CB C 26 34.589 34.589 31.923 2.666 18511
1858 1 5 . 1 1 28 28 ARG H H 26 8.856 8.856 8.454 0.402 18511
1859 1 5 . 1 1 29 29 TRP N N 27 121.571 121.571 123.856 -2.285 18511
1860 1 5 . 1 1 29 29 TRP HA H 27 5.986 5.986 5.249 0.737 18511
1861 1 5 . 1 1 29 29 TRP C C 27 175.932 175.932 175.920 0.012 18511
1862 1 5 . 1 1 29 29 TRP CA C 27 55.504 55.504 55.602 -0.098 18511
1863 1 5 . 1 1 29 29 TRP CB C 27 32.584 32.584 31.869 0.715 18511
1864 1 5 . 1 1 29 29 TRP H H 27 8.858 8.858 8.577 0.281 18511
1865 1 5 . 1 1 30 30 TYR N N 28 118.451 118.451 122.154 -3.703 18511
1866 1 5 . 1 1 30 30 TYR HA H 28 5.332 5.332 4.916 0.416 18511
1867 1 5 . 1 1 30 30 TYR C C 28 175.108 175.108 174.480 0.628 18511
1868 1 5 . 1 1 30 30 TYR CA C 28 55.924 55.924 57.133 -1.210 18511
1869 1 5 . 1 1 30 30 TYR CB C 28 43.194 43.194 41.445 1.749 18511
1870 1 5 . 1 1 30 30 TYR H H 28 9.605 9.605 8.624 0.981 18511
1871 1 5 . 1 1 31 31 LYS N N 29 120.638 120.638 124.630 -3.992 18511
1872 1 5 . 1 1 31 31 LYS HA H 29 4.790 4.790 4.646 0.144 18511
1873 1 5 . 1 1 31 31 LYS C C 29 176.565 176.565 176.841 -0.276 18511
1874 1 5 . 1 1 31 31 LYS CA C 29 54.496 54.496 53.864 0.632 18511
1875 1 5 . 1 1 31 31 LYS CB C 29 35.345 35.345 33.389 1.956 18511
1876 1 5 . 1 1 31 31 LYS H H 29 9.055 9.055 8.824 0.231 18511
1877 1 5 . 1 1 32 32 ASP N N 30 131.009 131.009 128.100 2.909 18511
1878 1 5 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.218 0.228 18511
1879 1 5 . 1 1 32 32 ASP C C 30 176.344 176.344 176.215 0.129 18511
1880 1 5 . 1 1 32 32 ASP CA C 30 55.846 55.846 55.165 0.681 18511
1881 1 5 . 1 1 32 32 ASP CB C 30 40.289 40.289 40.090 0.199 18511
1882 1 5 . 1 1 32 32 ASP H H 30 10.006 10.006 8.782 1.224 18511
1883 1 5 . 1 1 33 33 GLY N N 31 102.658 102.658 104.130 -1.472 18511
1884 1 5 . 1 1 33 33 GLY C C 31 173.809 173.809 173.707 0.102 18511
1885 1 5 . 1 1 33 33 GLY CA C 31 45.127 45.127 44.984 0.143 18511
1886 1 5 . 1 1 33 33 GLY H H 31 8.903 8.903 8.614 0.289 18511
1887 1 5 . 1 1 34 34 GLU N N 32 121.796 121.796 122.830 -1.034 18511
1888 1 5 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.652 0.090 18511
1889 1 5 . 1 1 34 34 GLU C C 32 175.789 175.789 175.843 -0.054 18511
1890 1 5 . 1 1 34 34 GLU CA C 32 54.496 54.496 54.789 -0.293 18511
1891 1 5 . 1 1 34 34 GLU CB C 32 31.161 31.161 31.076 0.085 18511
1892 1 5 . 1 1 34 34 GLU H H 32 8.152 8.152 7.954 0.198 18511
1893 1 5 . 1 1 35 35 ARG N N 33 126.589 126.589 125.937 0.652 18511
1894 1 5 . 1 1 35 35 ARG HA H 33 3.927 3.927 4.401 -0.474 18511
1895 1 5 . 1 1 35 35 ARG C C 33 176.296 176.296 175.473 0.823 18511
1896 1 5 . 1 1 35 35 ARG CA C 33 56.344 56.344 56.265 0.079 18511
1897 1 5 . 1 1 35 35 ARG CB C 33 29.803 29.803 30.408 -0.605 18511
1898 1 5 . 1 1 35 35 ARG H H 33 8.928 8.928 8.708 0.220 18511
1899 1 5 . 1 1 36 36 LEU N N 34 127.490 127.490 122.838 4.652 18511
1900 1 5 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.479 0.118 18511
1901 1 5 . 1 1 36 36 LEU C C 34 175.361 175.361 176.260 -0.899 18511
1902 1 5 . 1 1 36 36 LEU CA C 34 53.656 53.656 53.901 -0.245 18511
1903 1 5 . 1 1 36 36 LEU CB C 34 44.501 44.501 43.313 1.188 18511
1904 1 5 . 1 1 36 36 LEU H H 34 8.668 8.668 8.042 0.626 18511
1905 1 5 . 1 1 37 37 ALA N N 35 124.016 124.016 125.749 -1.733 18511
1906 1 5 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.564 -0.015 18511
1907 1 5 . 1 1 37 37 ALA C C 35 175.757 175.757 177.117 -1.360 18511
1908 1 5 . 1 1 37 37 ALA CA C 35 50.039 50.039 50.661 -0.622 18511
1909 1 5 . 1 1 37 37 ALA CB C 35 21.822 21.822 20.524 1.298 18511
1910 1 5 . 1 1 37 37 ALA H H 35 8.177 8.177 8.226 -0.049 18511
1911 1 5 . 1 1 38 38 SER N N 36 114.574 114.574 116.926 -2.352 18511
1912 1 5 . 1 1 38 38 SER HA H 36 4.440 4.440 4.549 -0.109 18511
1913 1 5 . 1 1 38 38 SER C C 36 174.005 174.005 174.366 -0.361 18511
1914 1 5 . 1 1 38 38 SER CA C 36 57.610 57.610 58.271 -0.661 18511
1915 1 5 . 1 1 38 38 SER CB C 36 62.056 62.056 62.176 -0.120 18511
1916 1 5 . 1 1 38 38 SER H H 36 8.444 8.444 8.480 -0.036 18511
1917 1 5 . 1 1 39 39 GLN N N 37 126.057 126.057 125.074 0.983 18511
1918 1 5 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.675 -0.223 18511
1919 1 5 . 1 1 39 39 GLN C C 37 175.599 175.599 176.432 -0.833 18511
1920 1 5 . 1 1 39 39 GLN CA C 37 55.433 55.433 54.118 1.315 18511
1921 1 5 . 1 1 39 39 GLN CB C 37 29.970 29.970 29.971 -0.001 18511
1922 1 5 . 1 1 39 39 GLN H H 37 8.477 8.477 8.479 -0.002 18511
1923 1 5 . 1 1 41 41 ARG HA H 39 4.228 4.228 4.303 -0.075 18511
1924 1 5 . 1 1 41 41 ARG C C 39 174.776 174.776 176.311 -1.535 18511
1925 1 5 . 1 1 41 41 ARG CA C 39 57.143 57.143 56.925 0.218 18511
1926 1 5 . 1 1 41 41 ARG CB C 39 30.504 30.504 30.565 -0.061 18511
1927 1 5 . 1 1 42 42 VAL N N 40 119.931 119.931 121.321 -1.390 18511
1928 1 5 . 1 1 42 42 VAL HA H 40 4.602 4.602 4.760 -0.158 18511
1929 1 5 . 1 1 42 42 VAL C C 40 174.854 174.854 174.695 0.159 18511
1930 1 5 . 1 1 42 42 VAL CA C 40 61.663 61.663 61.090 0.572 18511
1931 1 5 . 1 1 42 42 VAL CB C 40 32.800 32.800 30.565 2.235 18511
1932 1 5 . 1 1 42 42 VAL H H 40 7.662 7.662 7.962 -0.300 18511
1933 1 5 . 1 1 43 43 GLN N N 41 125.689 125.689 125.653 0.036 18511
1934 1 5 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.582 -0.051 18511
1935 1 5 . 1 1 43 43 GLN C C 41 173.952 173.952 174.709 -0.757 18511
1936 1 5 . 1 1 43 43 GLN CA C 41 53.656 53.656 54.554 -0.898 18511
1937 1 5 . 1 1 43 43 GLN CB C 41 31.817 31.817 30.149 1.668 18511
1938 1 5 . 1 1 43 43 GLN H H 41 8.937 8.937 7.974 0.963 18511
1939 1 5 . 1 1 44 44 LEU N N 42 123.562 123.562 127.494 -3.932 18511
1940 1 5 . 1 1 44 44 LEU HA H 42 4.984 4.984 4.814 0.170 18511
1941 1 5 . 1 1 44 44 LEU C C 42 176.565 176.565 176.346 0.219 18511
1942 1 5 . 1 1 44 44 LEU CA C 42 52.931 52.931 53.534 -0.603 18511
1943 1 5 . 1 1 44 44 LEU CB C 42 42.474 42.474 41.991 0.483 18511
1944 1 5 . 1 1 44 44 LEU H H 42 8.231 8.231 8.790 -0.559 18511
1945 1 5 . 1 1 45 45 GLU N N 43 124.016 124.016 125.798 -1.782 18511
1946 1 5 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.416 0.240 18511
1947 1 5 . 1 1 45 45 GLU C C 43 175.346 175.346 175.229 0.117 18511
1948 1 5 . 1 1 45 45 GLU CA C 43 54.723 54.723 55.185 -0.462 18511
1949 1 5 . 1 1 45 45 GLU CB C 43 32.841 32.841 30.686 2.155 18511
1950 1 5 . 1 1 45 45 GLU H H 43 9.309 9.309 8.591 0.718 18511
1951 1 5 . 1 1 46 46 GLN N N 44 125.220 125.220 125.519 -0.299 18511
1952 1 5 . 1 1 46 46 GLN HA H 44 4.928 4.928 5.030 -0.102 18511
1953 1 5 . 1 1 46 46 GLN C C 44 174.332 174.332 175.076 -0.744 18511
1954 1 5 . 1 1 46 46 GLN CA C 44 54.832 54.832 55.146 -0.314 18511
1955 1 5 . 1 1 46 46 GLN CB C 44 30.726 30.726 29.181 1.545 18511
1956 1 5 . 1 1 46 46 GLN H H 44 8.825 8.825 8.750 0.075 18511
1957 1 5 . 1 1 47 47 ALA N N 45 129.999 129.999 129.278 0.721 18511
1958 1 5 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.720 -0.048 18511
1959 1 5 . 1 1 47 47 ALA C C 45 177.056 177.056 177.355 -0.299 18511
1960 1 5 . 1 1 47 47 ALA CA C 45 50.716 50.716 52.442 -1.726 18511
1961 1 5 . 1 1 47 47 ALA CB C 45 18.798 18.798 20.085 -1.287 18511
1962 1 5 . 1 1 47 47 ALA H H 45 8.636 8.636 8.609 0.027 18511
1963 1 5 . 1 1 48 48 GLY CA C 46 46.885 46.885 45.619 1.266 18511
1964 1 5 . 1 1 49 49 ALA HA H 47 4.183 4.183 4.349 -0.166 18511
1965 1 5 . 1 1 49 49 ALA C C 47 176.586 176.586 177.805 -1.219 18511
1966 1 5 . 1 1 49 49 ALA CA C 47 53.068 53.068 53.267 -0.199 18511
1967 1 5 . 1 1 49 49 ALA CB C 47 18.714 18.714 19.089 -0.375 18511
1968 1 5 . 1 1 50 50 ARG N N 48 119.282 119.282 120.634 -1.352 18511
1969 1 5 . 1 1 50 50 ARG HA H 48 4.635 4.635 4.577 0.058 18511
1970 1 5 . 1 1 50 50 ARG C C 48 174.348 174.348 175.030 -0.682 18511
1971 1 5 . 1 1 50 50 ARG CA C 48 55.672 55.672 55.628 0.044 18511
1972 1 5 . 1 1 50 50 ARG CB C 48 31.413 31.413 30.867 0.545 18511
1973 1 5 . 1 1 50 50 ARG H H 48 7.725 7.725 8.012 -0.287 18511
1974 1 5 . 1 1 51 51 GLN N N 49 125.499 125.499 123.438 2.061 18511
1975 1 5 . 1 1 51 51 GLN HA H 49 4.961 4.961 5.222 -0.261 18511
1976 1 5 . 1 1 51 51 GLN C C 49 174.427 174.427 174.610 -0.183 18511
1977 1 5 . 1 1 51 51 GLN CA C 49 53.404 53.404 53.947 -0.543 18511
1978 1 5 . 1 1 51 51 GLN CB C 49 30.133 30.133 32.941 -2.808 18511
1979 1 5 . 1 1 51 51 GLN H H 49 9.086 9.086 8.633 0.453 18511
1980 1 5 . 1 1 52 52 VAL N N 50 121.957 121.957 121.570 0.387 18511
1981 1 5 . 1 1 52 52 VAL HA H 50 5.185 5.185 5.074 0.111 18511
1982 1 5 . 1 1 52 52 VAL C C 50 173.714 173.714 174.006 -0.292 18511
1983 1 5 . 1 1 52 52 VAL CA C 50 60.314 60.314 61.213 -0.899 18511
1984 1 5 . 1 1 52 52 VAL CB C 50 36.154 36.154 34.713 1.441 18511
1985 1 5 . 1 1 52 52 VAL H H 50 8.687 8.687 8.698 -0.011 18511
1986 1 5 . 1 1 53 53 LEU N N 51 129.580 129.580 128.840 0.740 18511
1987 1 5 . 1 1 53 53 LEU HA H 51 4.389 4.389 5.132 -0.743 18511
1988 1 5 . 1 1 53 53 LEU C C 51 174.427 174.427 174.778 -0.351 18511
1989 1 5 . 1 1 53 53 LEU CA C 51 53.536 53.536 52.361 1.175 18511
1990 1 5 . 1 1 53 53 LEU CB C 51 42.056 42.056 43.563 -1.508 18511
1991 1 5 . 1 1 53 53 LEU H H 51 8.380 8.380 7.525 0.855 18511
1992 1 5 . 1 1 54 54 ARG N N 52 125.706 125.706 126.072 -0.366 18511
1993 1 5 . 1 1 54 54 ARG HA H 52 5.255 5.255 4.751 0.504 18511
1994 1 5 . 1 1 54 54 ARG C C 52 174.981 174.981 174.502 0.479 18511
1995 1 5 . 1 1 54 54 ARG CA C 52 53.992 53.992 54.369 -0.377 18511
1996 1 5 . 1 1 54 54 ARG CB C 52 33.497 33.497 33.316 0.181 18511
1997 1 5 . 1 1 54 54 ARG H H 52 8.956 8.956 8.433 0.523 18511
1998 1 5 . 1 1 55 55 VAL N N 53 123.212 123.212 123.224 -0.012 18511
1999 1 5 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.356 0.263 18511
2000 1 5 . 1 1 55 55 VAL C C 53 175.124 175.124 175.102 0.022 18511
2001 1 5 . 1 1 55 55 VAL CA C 53 61.092 61.092 61.321 -0.229 18511
2002 1 5 . 1 1 55 55 VAL CB C 53 34.527 34.527 32.791 1.736 18511
2003 1 5 . 1 1 55 55 VAL H H 53 8.511 8.511 8.136 0.375 18511
2004 1 5 . 1 1 56 56 GLN N N 54 126.653 126.653 128.209 -1.556 18511
2005 1 5 . 1 1 56 56 GLN HA H 54 4.518 4.518 4.188 0.330 18511
2006 1 5 . 1 1 56 56 GLN C C 54 176.296 176.296 176.591 -0.295 18511
2007 1 5 . 1 1 56 56 GLN CA C 54 55.022 55.022 56.582 -1.560 18511
2008 1 5 . 1 1 56 56 GLN CB C 54 29.749 29.749 29.516 0.233 18511
2009 1 5 . 1 1 56 56 GLN H H 54 8.509 8.509 8.017 0.492 18511
2010 1 5 . 1 1 57 57 GLY N N 55 114.559 114.559 113.321 1.238 18511
2011 1 5 . 1 1 57 57 GLY C C 55 174.585 174.585 173.546 1.039 18511
2012 1 5 . 1 1 57 57 GLY CA C 55 47.319 47.319 44.988 2.331 18511
2013 1 5 . 1 1 57 57 GLY H H 55 8.420 8.420 8.216 0.204 18511
2014 1 5 . 1 1 58 58 ALA N N 56 122.793 122.793 123.686 -0.893 18511
2015 1 5 . 1 1 58 58 ALA HA H 56 4.088 4.088 4.255 -0.167 18511
2016 1 5 . 1 1 58 58 ALA C C 56 177.120 177.120 176.852 0.268 18511
2017 1 5 . 1 1 58 58 ALA CA C 56 53.051 53.051 52.344 0.707 18511
2018 1 5 . 1 1 58 58 ALA CB C 56 18.051 18.051 18.797 -0.746 18511
2019 1 5 . 1 1 58 58 ALA H H 56 8.977 8.977 7.812 1.165 18511
2020 1 5 . 1 1 59 59 ARG N N 57 122.118 122.118 123.923 -1.805 18511
2021 1 5 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.554 0.197 18511
2022 1 5 . 1 1 59 59 ARG C C 57 177.231 177.231 175.674 1.557 18511
2023 1 5 . 1 1 59 59 ARG CA C 57 53.236 53.236 53.530 -0.294 18511
2024 1 5 . 1 1 59 59 ARG CB C 57 33.526 33.526 32.802 0.724 18511
2025 1 5 . 1 1 59 59 ARG H H 57 9.709 9.709 8.077 1.632 18511
2026 1 5 . 1 1 61 61 GLY C C 59 174.202 174.202 174.682 -0.480 18511
2027 1 5 . 1 1 61 61 GLY CA C 59 45.899 45.899 44.937 0.962 18511
2028 1 5 . 1 1 62 62 ASP N N 60 116.489 116.489 122.069 -5.580 18511
2029 1 5 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.547 0.124 18511
2030 1 5 . 1 1 62 62 ASP C C 60 176.692 176.692 176.224 0.468 18511
2031 1 5 . 1 1 62 62 ASP CA C 60 54.854 54.854 54.679 0.175 18511
2032 1 5 . 1 1 62 62 ASP CB C 60 41.130 41.130 41.647 -0.517 18511
2033 1 5 . 1 1 62 62 ASP H H 60 8.300 8.300 8.169 0.131 18511
2034 1 5 . 1 1 63 63 ALA N N 61 122.793 122.793 121.815 0.978 18511
2035 1 5 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.395 -0.290 18511
2036 1 5 . 1 1 63 63 ALA C C 61 176.581 176.581 176.800 -0.219 18511
2037 1 5 . 1 1 63 63 ALA CA C 61 52.732 52.732 52.954 -0.222 18511
2038 1 5 . 1 1 63 63 ALA CB C 61 19.806 19.806 17.521 2.285 18511
2039 1 5 . 1 1 63 63 ALA H H 61 7.551 7.551 8.070 -0.519 18511
2040 1 5 . 1 1 64 64 GLY N N 62 108.029 108.029 111.414 -3.385 18511
2041 1 5 . 1 1 64 64 GLY C C 62 171.274 171.274 172.701 -1.427 18511
2042 1 5 . 1 1 64 64 GLY CA C 62 44.826 44.826 44.021 0.805 18511
2043 1 5 . 1 1 64 64 GLY H H 62 8.720 8.720 7.818 0.902 18511
2044 1 5 . 1 1 65 65 GLU N N 63 122.343 122.343 120.373 1.970 18511
2045 1 5 . 1 1 65 65 GLU HA H 63 5.134 5.134 5.006 0.128 18511
2046 1 5 . 1 1 65 65 GLU C C 63 175.900 175.900 175.754 0.146 18511
2047 1 5 . 1 1 65 65 GLU CA C 63 55.309 55.309 56.427 -1.118 18511
2048 1 5 . 1 1 65 65 GLU CB C 63 31.183 31.183 29.961 1.222 18511
2049 1 5 . 1 1 65 65 GLU H H 63 9.038 9.038 8.674 0.364 18511
2050 1 5 . 1 1 66 66 TYR N N 64 128.776 128.776 124.409 4.367 18511
2051 1 5 . 1 1 66 66 TYR HA H 64 5.769 5.769 5.539 0.230 18511
2052 1 5 . 1 1 66 66 TYR C C 64 174.157 174.157 175.888 -1.731 18511
2053 1 5 . 1 1 66 66 TYR CA C 64 56.596 56.596 56.892 -0.296 18511
2054 1 5 . 1 1 66 66 TYR CB C 64 40.857 40.857 39.941 0.916 18511
2055 1 5 . 1 1 66 66 TYR H H 64 9.984 9.984 9.073 0.911 18511
2056 1 5 . 1 1 67 67 LEU N N 65 125.560 125.560 126.699 -1.139 18511
2057 1 5 . 1 1 67 67 LEU HA H 65 5.360 5.360 5.038 0.322 18511
2058 1 5 . 1 1 67 67 LEU C C 65 174.617 174.617 175.641 -1.024 18511
2059 1 5 . 1 1 67 67 LEU CA C 65 53.294 53.294 53.664 -0.370 18511
2060 1 5 . 1 1 67 67 LEU CB C 65 46.296 46.296 43.293 3.003 18511
2061 1 5 . 1 1 67 67 LEU H H 65 9.385 9.385 9.227 0.158 18511
2062 1 5 . 1 1 68 68 CYS N N 66 127.135 127.135 128.659 -1.524 18511
2063 1 5 . 1 1 68 68 CYS HA H 66 3.994 3.994 3.362 0.632 18511
2064 1 5 . 1 1 68 68 CYS C C 66 172.383 172.383 173.765 -1.382 18511
2065 1 5 . 1 1 68 68 CYS CA C 66 57.828 57.828 57.081 0.747 18511
2066 1 5 . 1 1 68 68 CYS CB C 66 26.535 26.535 25.315 1.220 18511
2067 1 5 . 1 1 68 68 CYS H H 66 9.102 9.102 8.621 0.481 18511
2068 1 5 . 1 1 69 69 ASP N N 67 129.420 129.420 129.121 0.299 18511
2069 1 5 . 1 1 69 69 ASP HA H 67 4.953 4.953 4.669 0.284 18511
2070 1 5 . 1 1 69 69 ASP C C 67 173.128 173.128 174.312 -1.184 18511
2071 1 5 . 1 1 69 69 ASP CA C 67 53.459 53.459 53.554 -0.096 18511
2072 1 5 . 1 1 69 69 ASP CB C 67 44.249 44.249 42.059 2.190 18511
2073 1 5 . 1 1 69 69 ASP H H 67 9.296 9.296 8.383 0.913 18511
2074 1 5 . 1 1 70 70 ALA N N 68 129.162 129.162 128.225 0.937 18511
2075 1 5 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.622 0.432 18511
2076 1 5 . 1 1 70 70 ALA C C 68 175.108 175.108 177.064 -1.956 18511
2077 1 5 . 1 1 70 70 ALA CA C 68 49.404 49.404 49.233 0.170 18511
2078 1 5 . 1 1 70 70 ALA CB C 68 21.402 21.402 19.302 2.100 18511
2079 1 5 . 1 1 70 70 ALA H H 68 8.179 8.179 7.859 0.320 18511
2080 1 5 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.456 -0.291 18511
2081 1 5 . 1 1 71 71 PRO C C 69 177.840 177.840 175.849 1.991 18511
2082 1 5 . 1 1 71 71 PRO CA C 69 65.906 65.906 63.834 2.072 18511
2083 1 5 . 1 1 71 71 PRO CB C 69 31.744 31.744 29.982 1.762 18511
2084 1 5 . 1 1 72 72 GLN N N 70 113.851 113.851 117.967 -4.116 18511
2085 1 5 . 1 1 72 72 GLN HA H 70 4.363 4.363 4.321 0.042 18511
2086 1 5 . 1 1 72 72 GLN C C 70 174.744 174.744 174.754 -0.010 18511
2087 1 5 . 1 1 72 72 GLN CA C 70 55.239 55.239 56.541 -1.302 18511
2088 1 5 . 1 1 72 72 GLN CB C 70 29.355 29.355 31.048 -1.693 18511
2089 1 5 . 1 1 72 72 GLN H H 70 9.053 9.053 7.892 1.161 18511
2090 1 5 . 1 1 73 73 ASP N N 71 118.081 118.081 120.458 -2.377 18511
2091 1 5 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.731 0.093 18511
2092 1 5 . 1 1 73 73 ASP C C 71 173.017 173.017 174.707 -1.690 18511
2093 1 5 . 1 1 73 73 ASP CA C 71 53.992 53.992 53.752 0.240 18511
2094 1 5 . 1 1 73 73 ASP CB C 71 44.449 44.449 42.485 1.964 18511
2095 1 5 . 1 1 73 73 ASP H H 71 7.336 7.336 7.859 -0.523 18511
2096 1 5 . 1 1 74 74 SER N N 72 114.356 114.356 119.834 -5.478 18511
2097 1 5 . 1 1 74 74 SER HA H 72 5.209 5.209 4.831 0.378 18511
2098 1 5 . 1 1 74 74 SER C C 72 174.189 174.189 174.401 -0.212 18511
2099 1 5 . 1 1 74 74 SER CA C 72 57.604 57.604 57.815 -0.211 18511
2100 1 5 . 1 1 74 74 SER CB C 72 64.697 64.697 64.402 0.295 18511
2101 1 5 . 1 1 74 74 SER H H 72 8.161 8.161 8.410 -0.249 18511
2102 1 5 . 1 1 75 75 ARG N N 73 122.793 122.793 127.053 -4.260 18511
2103 1 5 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.745 -0.049 18511
2104 1 5 . 1 1 75 75 ARG C C 73 173.460 173.460 174.803 -1.343 18511
2105 1 5 . 1 1 75 75 ARG CA C 73 53.404 53.404 54.870 -1.466 18511
2106 1 5 . 1 1 75 75 ARG CB C 73 33.600 33.600 33.425 0.175 18511
2107 1 5 . 1 1 75 75 ARG H H 73 8.592 8.592 8.453 0.140 18511
2108 1 5 . 1 1 76 76 ILE N N 74 122.343 122.343 124.668 -2.325 18511
2109 1 5 . 1 1 76 76 ILE HA H 74 5.154 5.154 4.240 0.914 18511
2110 1 5 . 1 1 76 76 ILE C C 74 175.266 175.266 174.861 0.405 18511
2111 1 5 . 1 1 76 76 ILE CA C 74 59.620 59.620 61.376 -1.756 18511
2112 1 5 . 1 1 76 76 ILE CB C 74 40.889 40.889 38.905 1.984 18511
2113 1 5 . 1 1 76 76 ILE H H 74 8.262 8.262 8.656 -0.394 18511
2114 1 5 . 1 1 77 77 PHE N N 75 126.428 126.428 126.363 0.065 18511
2115 1 5 . 1 1 77 77 PHE HA H 75 5.524 5.524 5.081 0.443 18511
2116 1 5 . 1 1 77 77 PHE C C 75 174.680 174.680 175.524 -0.844 18511
2117 1 5 . 1 1 77 77 PHE CA C 75 55.570 55.570 55.604 -0.034 18511
2118 1 5 . 1 1 77 77 PHE CB C 75 42.186 42.186 39.478 2.708 18511
2119 1 5 . 1 1 77 77 PHE H H 75 9.932 9.932 8.803 1.129 18511
2120 1 5 . 1 1 78 78 LEU N N 76 126.068 126.068 126.751 -0.683 18511
2121 1 5 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.470 0.654 18511
2122 1 5 . 1 1 78 78 LEU C C 76 176.138 176.138 176.084 0.054 18511
2123 1 5 . 1 1 78 78 LEU CA C 76 53.799 53.799 54.571 -0.772 18511
2124 1 5 . 1 1 78 78 LEU CB C 76 41.851 41.851 41.019 0.832 18511
2125 1 5 . 1 1 78 78 LEU H H 76 9.091 9.091 8.834 0.257 18511
2126 1 5 . 1 1 79 79 VAL N N 77 129.130 129.130 126.233 2.897 18511
2127 1 5 . 1 1 79 79 VAL HA H 77 5.109 5.109 4.829 0.280 18511
2128 1 5 . 1 1 79 79 VAL C C 77 176.597 176.597 176.127 0.470 18511
2129 1 5 . 1 1 79 79 VAL CA C 77 61.384 61.384 60.929 0.455 18511
2130 1 5 . 1 1 79 79 VAL CB C 77 33.846 33.846 32.332 1.514 18511
2131 1 5 . 1 1 79 79 VAL H H 77 9.408 9.408 7.963 1.445 18511
2132 1 5 . 1 1 80 80 SER N N 78 124.016 124.016 124.043 -0.027 18511
2133 1 5 . 1 1 80 80 SER HA H 78 4.908 4.908 4.761 0.147 18511
2134 1 5 . 1 1 80 80 SER C C 78 172.431 172.431 173.643 -1.212 18511
2135 1 5 . 1 1 80 80 SER CA C 78 56.344 56.344 57.034 -0.690 18511
2136 1 5 . 1 1 80 80 SER CB C 78 65.164 65.164 64.061 1.103 18511
2137 1 5 . 1 1 80 80 SER H H 78 9.125 9.125 8.366 0.759 18511
2138 1 5 . 1 1 81 81 VAL N N 79 124.402 124.402 127.255 -2.853 18511
2139 1 5 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.616 -0.081 18511
2140 1 5 . 1 1 81 81 VAL C C 79 174.744 174.744 175.549 -0.805 18511
2141 1 5 . 1 1 81 81 VAL CA C 79 61.028 61.028 62.108 -1.080 18511
2142 1 5 . 1 1 81 81 VAL CB C 79 32.741 32.741 30.700 2.041 18511
2143 1 5 . 1 1 81 81 VAL H H 79 8.638 8.638 8.959 -0.321 18511
2144 1 5 . 1 1 82 82 GLU N N 80 124.145 124.145 125.590 -1.445 18511
2145 1 5 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.658 -0.097 18511
2146 1 5 . 1 1 82 82 GLU C C 80 174.839 174.839 174.707 0.132 18511
2147 1 5 . 1 1 82 82 GLU CA C 80 54.664 54.664 55.287 -0.623 18511
2148 1 5 . 1 1 82 82 GLU CB C 80 32.237 32.237 32.557 -0.320 18511
2149 1 5 . 1 1 82 82 GLU H H 80 8.281 8.281 8.484 -0.203 18511
2150 1 5 . 1 1 83 83 GLU N N 81 123.244 123.244 119.653 3.591 18511
2151 1 5 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.128 0.311 18511
2152 1 5 . 1 1 83 83 GLU C C 81 173.841 173.841 174.532 -0.691 18511
2153 1 5 . 1 1 83 83 GLU CA C 81 54.611 54.611 55.844 -1.233 18511
2154 1 5 . 1 1 83 83 GLU CB C 81 29.046 29.046 29.181 -0.135 18511
2155 1 5 . 1 1 83 83 GLU H H 81 8.656 8.656 8.665 -0.009 18511
2156 1 6 . 1 1 4 4 THR N N 2 121.282 121.282 116.666 4.616 18511
2157 1 6 . 1 1 4 4 THR HA H 2 4.463 4.463 4.134 0.329 18511
2158 1 6 . 1 1 4 4 THR C C 2 173.255 173.255 173.725 -0.470 18511
2159 1 6 . 1 1 4 4 THR CA C 2 62.056 62.056 62.297 -0.241 18511
2160 1 6 . 1 1 4 4 THR CB C 2 70.955 70.955 68.372 2.583 18511
2161 1 6 . 1 1 4 4 THR H H 2 8.319 8.319 8.275 0.044 18511
2162 1 6 . 1 1 5 5 ARG N N 3 127.535 127.535 124.753 2.782 18511
2163 1 6 . 1 1 5 5 ARG HA H 3 5.083 5.083 4.896 0.187 18511
2164 1 6 . 1 1 5 5 ARG C C 3 175.694 175.694 175.206 0.488 18511
2165 1 6 . 1 1 5 5 ARG CA C 3 55.236 55.236 55.230 0.006 18511
2166 1 6 . 1 1 5 5 ARG CB C 3 30.776 30.776 33.450 -2.674 18511
2167 1 6 . 1 1 5 5 ARG H H 3 8.958 8.958 8.342 0.616 18511
2168 1 6 . 1 1 6 6 VAL N N 4 125.495 125.495 124.390 1.105 18511
2169 1 6 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.413 -0.081 18511
2170 1 6 . 1 1 6 6 VAL C C 4 173.365 173.365 174.566 -1.201 18511
2171 1 6 . 1 1 6 6 VAL CA C 4 61.473 61.473 60.865 0.608 18511
2172 1 6 . 1 1 6 6 VAL CB C 4 35.854 35.854 35.435 0.419 18511
2173 1 6 . 1 1 6 6 VAL H H 4 8.812 8.812 8.308 0.504 18511
2174 1 6 . 1 1 7 7 ARG N N 5 127.554 127.554 128.214 -0.660 18511
2175 1 6 . 1 1 7 7 ARG HA H 5 5.175 5.175 4.836 0.339 18511
2176 1 6 . 1 1 7 7 ARG C C 5 175.694 175.694 175.420 0.274 18511
2177 1 6 . 1 1 7 7 ARG CA C 5 54.373 54.373 55.665 -1.292 18511
2178 1 6 . 1 1 7 7 ARG CB C 5 31.679 31.679 31.603 0.076 18511
2179 1 6 . 1 1 7 7 ARG H H 5 8.712 8.712 8.722 -0.010 18511
2180 1 6 . 1 1 8 8 SER N N 6 120.281 120.281 119.751 0.530 18511
2181 1 6 . 1 1 8 8 SER HA H 6 4.762 4.762 4.770 -0.008 18511
2182 1 6 . 1 1 8 8 SER C C 6 173.555 173.555 172.468 1.087 18511
2183 1 6 . 1 1 8 8 SER CA C 6 56.428 56.428 56.671 -0.243 18511
2184 1 6 . 1 1 8 8 SER CB C 6 65.450 65.450 65.327 0.123 18511
2185 1 6 . 1 1 8 8 SER H H 6 8.669 8.669 8.411 0.258 18511
2186 1 6 . 1 1 9 9 THR N N 7 117.885 117.885 113.499 4.386 18511
2187 1 6 . 1 1 9 9 THR HA H 7 4.847 4.847 5.546 -0.699 18511
2188 1 6 . 1 1 9 9 THR C C 7 172.748 172.748 172.342 0.406 18511
2189 1 6 . 1 1 9 9 THR CA C 7 59.436 59.436 57.747 1.689 18511
2190 1 6 . 1 1 9 9 THR CB C 7 69.938 69.938 71.110 -1.172 18511
2191 1 6 . 1 1 9 9 THR H H 7 8.362 8.362 8.436 -0.074 18511
2192 1 6 . 1 1 10 10 PRO HA H 8 4.060 4.060 4.340 -0.280 18511
2193 1 6 . 1 1 10 10 PRO C C 8 177.966 177.966 177.896 0.070 18511
2194 1 6 . 1 1 10 10 PRO CA C 8 63.484 63.484 62.711 0.773 18511
2195 1 6 . 1 1 10 10 PRO CB C 8 30.986 30.986 32.066 -1.080 18511
2196 1 6 . 1 1 11 11 GLY N N 9 114.800 114.800 112.705 2.095 18511
2197 1 6 . 1 1 11 11 GLY C C 9 174.870 174.870 173.874 0.996 18511
2198 1 6 . 1 1 11 11 GLY CA C 9 45.147 45.147 45.103 0.044 18511
2199 1 6 . 1 1 11 11 GLY H H 9 9.824 9.824 8.552 1.272 18511
2200 1 6 . 1 1 12 12 GLY N N 10 109.721 109.721 108.604 1.117 18511
2201 1 6 . 1 1 12 12 GLY C C 10 171.924 171.924 171.912 0.012 18511
2202 1 6 . 1 1 12 12 GLY CA C 10 43.913 43.913 45.555 -1.642 18511
2203 1 6 . 1 1 12 12 GLY H H 10 8.172 8.172 7.611 0.561 18511
2204 1 6 . 1 1 13 13 ASP N N 11 119.275 119.275 119.621 -0.346 18511
2205 1 6 . 1 1 13 13 ASP HA H 11 5.316 5.316 5.065 0.251 18511
2206 1 6 . 1 1 13 13 ASP C C 11 176.185 176.185 174.406 1.779 18511
2207 1 6 . 1 1 13 13 ASP CA C 11 53.404 53.404 52.661 0.743 18511
2208 1 6 . 1 1 13 13 ASP CB C 11 41.309 41.309 44.012 -2.703 18511
2209 1 6 . 1 1 13 13 ASP H H 11 8.442 8.442 8.041 0.401 18511
2210 1 6 . 1 1 14 14 LEU N N 12 125.431 125.431 119.976 5.455 18511
2211 1 6 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.631 -0.205 18511
2212 1 6 . 1 1 14 14 LEU C C 12 174.934 174.934 175.120 -0.186 18511
2213 1 6 . 1 1 14 14 LEU CA C 12 53.697 53.697 53.807 -0.110 18511
2214 1 6 . 1 1 14 14 LEU CB C 12 44.170 44.170 45.520 -1.350 18511
2215 1 6 . 1 1 14 14 LEU H H 12 8.889 8.889 8.403 0.486 18511
2216 1 6 . 1 1 15 15 GLU N N 13 126.203 126.203 125.893 0.310 18511
2217 1 6 . 1 1 15 15 GLU HA H 13 4.901 4.901 4.787 0.114 18511
2218 1 6 . 1 1 15 15 GLU C C 13 173.555 173.555 175.115 -1.560 18511
2219 1 6 . 1 1 15 15 GLU CA C 13 55.168 55.168 55.179 -0.011 18511
2220 1 6 . 1 1 15 15 GLU CB C 13 32.489 32.489 31.374 1.115 18511
2221 1 6 . 1 1 15 15 GLU H H 13 8.469 8.469 8.415 0.054 18511
2222 1 6 . 1 1 16 16 LEU N N 14 127.480 127.480 129.153 -1.673 18511
2223 1 6 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.397 -0.175 18511
2224 1 6 . 1 1 16 16 LEU C C 14 174.221 174.221 175.394 -1.173 18511
2225 1 6 . 1 1 16 16 LEU CA C 14 52.900 52.900 53.992 -1.092 18511
2226 1 6 . 1 1 16 16 LEU CB C 14 40.861 40.861 41.557 -0.696 18511
2227 1 6 . 1 1 16 16 LEU H H 14 9.082 9.082 8.624 0.458 18511
2228 1 6 . 1 1 17 17 VAL N N 15 122.038 122.038 125.847 -3.809 18511
2229 1 6 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.899 -0.138 18511
2230 1 6 . 1 1 17 17 VAL C C 15 175.330 175.330 176.313 -0.983 18511
2231 1 6 . 1 1 17 17 VAL CA C 15 61.468 61.468 61.210 0.258 18511
2232 1 6 . 1 1 17 17 VAL CB C 15 33.749 33.749 32.862 0.887 18511
2233 1 6 . 1 1 17 17 VAL H H 15 8.105 8.105 8.305 -0.200 18511
2234 1 6 . 1 1 18 18 VAL N N 16 127.741 127.741 123.301 4.440 18511
2235 1 6 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.714 -0.429 18511
2236 1 6 . 1 1 18 18 VAL C C 16 173.555 173.555 174.972 -1.417 18511
2237 1 6 . 1 1 18 18 VAL CA C 16 61.020 61.020 60.093 0.927 18511
2238 1 6 . 1 1 18 18 VAL CB C 16 35.604 35.604 34.072 1.532 18511
2239 1 6 . 1 1 18 18 VAL H H 16 9.335 9.335 8.661 0.674 18511
2240 1 6 . 1 1 19 19 HIS N N 17 126.695 126.695 120.941 5.754 18511
2241 1 6 . 1 1 19 19 HIS HA H 17 5.023 5.023 4.813 0.210 18511
2242 1 6 . 1 1 19 19 HIS C C 17 175.710 175.710 175.291 0.419 18511
2243 1 6 . 1 1 19 19 HIS CA C 17 55.225 55.225 55.005 0.220 18511
2244 1 6 . 1 1 19 19 HIS CB C 17 30.418 30.418 29.808 0.610 18511
2245 1 6 . 1 1 19 19 HIS H H 17 8.710 8.710 8.620 0.090 18511
2246 1 6 . 1 1 20 20 LEU N N 18 124.981 124.981 118.641 6.340 18511
2247 1 6 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.223 0.088 18511
2248 1 6 . 1 1 20 20 LEU C C 18 177.357 177.357 177.197 0.160 18511
2249 1 6 . 1 1 20 20 LEU CA C 18 54.162 54.162 55.112 -0.950 18511
2250 1 6 . 1 1 20 20 LEU CB C 18 43.005 43.005 41.646 1.359 18511
2251 1 6 . 1 1 20 20 LEU H H 18 8.941 8.941 7.869 1.072 18511
2252 1 6 . 1 1 21 21 SER N N 19 116.428 116.428 116.156 0.272 18511
2253 1 6 . 1 1 21 21 SER HA H 19 4.280 4.280 4.480 -0.200 18511
2254 1 6 . 1 1 21 21 SER C C 19 174.348 174.348 174.099 0.249 18511
2255 1 6 . 1 1 21 21 SER CA C 19 59.696 59.696 58.631 1.065 18511
2256 1 6 . 1 1 21 21 SER CB C 19 63.364 63.364 62.911 0.453 18511
2257 1 6 . 1 1 21 21 SER H H 19 9.513 9.513 8.515 0.998 18511
2258 1 6 . 1 1 22 22 GLY N N 20 107.975 107.975 110.468 -2.493 18511
2259 1 6 . 1 1 22 22 GLY C C 20 171.306 171.306 172.265 -0.959 18511
2260 1 6 . 1 1 22 22 GLY CA C 20 44.193 44.193 42.429 1.764 18511
2261 1 6 . 1 1 22 22 GLY H H 20 7.532 7.532 7.430 0.102 18511
2262 1 6 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.561 -0.198 18511
2263 1 6 . 1 1 23 23 PRO C C 21 177.141 177.141 177.993 -0.852 18511
2264 1 6 . 1 1 23 23 PRO CA C 21 63.096 63.096 62.885 0.211 18511
2265 1 6 . 1 1 23 23 PRO CB C 21 32.105 32.105 33.258 -1.153 18511
2266 1 6 . 1 1 24 24 GLY N N 22 107.827 107.827 109.021 -1.194 18511
2267 1 6 . 1 1 24 24 GLY C C 22 173.270 173.270 174.838 -1.568 18511
2268 1 6 . 1 1 24 24 GLY CA C 22 45.013 45.013 45.630 -0.617 18511
2269 1 6 . 1 1 24 24 GLY H H 22 8.264 8.264 8.664 -0.400 18511
2270 1 6 . 1 1 25 25 GLY N N 23 108.700 108.700 110.494 -1.794 18511
2271 1 6 . 1 1 25 25 GLY C C 23 170.292 170.292 172.568 -2.276 18511
2272 1 6 . 1 1 25 25 GLY CA C 23 43.573 43.573 44.650 -1.077 18511
2273 1 6 . 1 1 25 25 GLY H H 23 7.797 7.797 7.806 -0.009 18511
2274 1 6 . 1 1 26 26 PRO HA H 24 4.574 4.574 4.542 0.032 18511
2275 1 6 . 1 1 26 26 PRO C C 24 175.331 175.331 175.917 -0.586 18511
2276 1 6 . 1 1 26 26 PRO CA C 24 62.105 62.105 62.839 -0.734 18511
2277 1 6 . 1 1 26 26 PRO CB C 24 34.842 34.842 32.259 2.583 18511
2278 1 6 . 1 1 27 27 VAL N N 25 121.565 121.565 124.213 -2.648 18511
2279 1 6 . 1 1 27 27 VAL HA H 25 4.662 4.662 4.026 0.636 18511
2280 1 6 . 1 1 27 27 VAL C C 25 175.742 175.742 176.642 -0.900 18511
2281 1 6 . 1 1 27 27 VAL CA C 25 61.384 61.384 63.208 -1.824 18511
2282 1 6 . 1 1 27 27 VAL CB C 25 32.971 32.971 32.130 0.841 18511
2283 1 6 . 1 1 27 27 VAL H H 25 8.579 8.579 8.495 0.084 18511
2284 1 6 . 1 1 28 28 ARG N N 26 127.876 127.876 127.276 0.600 18511
2285 1 6 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.596 -0.014 18511
2286 1 6 . 1 1 28 28 ARG C C 26 173.144 173.144 175.170 -2.026 18511
2287 1 6 . 1 1 28 28 ARG CA C 26 54.861 54.861 55.032 -0.171 18511
2288 1 6 . 1 1 28 28 ARG CB C 26 34.589 34.589 32.693 1.896 18511
2289 1 6 . 1 1 28 28 ARG H H 26 8.856 8.856 8.428 0.428 18511
2290 1 6 . 1 1 29 29 TRP N N 27 121.571 121.571 119.320 2.251 18511
2291 1 6 . 1 1 29 29 TRP HA H 27 5.986 5.986 5.187 0.799 18511
2292 1 6 . 1 1 29 29 TRP C C 27 175.932 175.932 175.813 0.119 18511
2293 1 6 . 1 1 29 29 TRP CA C 27 55.504 55.504 56.372 -0.868 18511
2294 1 6 . 1 1 29 29 TRP CB C 27 32.584 32.584 32.336 0.248 18511
2295 1 6 . 1 1 29 29 TRP H H 27 8.858 8.858 8.711 0.147 18511
2296 1 6 . 1 1 30 30 TYR N N 28 118.451 118.451 121.767 -3.316 18511
2297 1 6 . 1 1 30 30 TYR HA H 28 5.332 5.332 4.851 0.481 18511
2298 1 6 . 1 1 30 30 TYR C C 28 175.108 175.108 174.986 0.122 18511
2299 1 6 . 1 1 30 30 TYR CA C 28 55.924 55.924 56.779 -0.855 18511
2300 1 6 . 1 1 30 30 TYR CB C 28 43.194 43.194 42.858 0.336 18511
2301 1 6 . 1 1 30 30 TYR H H 28 9.605 9.605 8.954 0.651 18511
2302 1 6 . 1 1 31 31 LYS N N 29 120.638 120.638 120.547 0.091 18511
2303 1 6 . 1 1 31 31 LYS HA H 29 4.790 4.790 4.659 0.131 18511
2304 1 6 . 1 1 31 31 LYS C C 29 176.565 176.565 176.018 0.547 18511
2305 1 6 . 1 1 31 31 LYS CA C 29 54.496 54.496 55.332 -0.836 18511
2306 1 6 . 1 1 31 31 LYS CB C 29 35.345 35.345 34.929 0.416 18511
2307 1 6 . 1 1 31 31 LYS H H 29 9.055 9.055 8.668 0.387 18511
2308 1 6 . 1 1 32 32 ASP N N 30 131.009 131.009 127.753 3.256 18511
2309 1 6 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.280 0.166 18511
2310 1 6 . 1 1 32 32 ASP C C 30 176.344 176.344 176.302 0.042 18511
2311 1 6 . 1 1 32 32 ASP CA C 30 55.846 55.846 55.848 -0.002 18511
2312 1 6 . 1 1 32 32 ASP CB C 30 40.289 40.289 40.032 0.257 18511
2313 1 6 . 1 1 32 32 ASP H H 30 10.006 10.006 8.950 1.056 18511
2314 1 6 . 1 1 33 33 GLY N N 31 102.658 102.658 105.362 -2.704 18511
2315 1 6 . 1 1 33 33 GLY C C 31 173.809 173.809 173.776 0.033 18511
2316 1 6 . 1 1 33 33 GLY CA C 31 45.127 45.127 45.161 -0.034 18511
2317 1 6 . 1 1 33 33 GLY H H 31 8.903 8.903 8.786 0.117 18511
2318 1 6 . 1 1 34 34 GLU N N 32 121.796 121.796 122.144 -0.348 18511
2319 1 6 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.611 0.131 18511
2320 1 6 . 1 1 34 34 GLU C C 32 175.789 175.789 175.602 0.187 18511
2321 1 6 . 1 1 34 34 GLU CA C 32 54.496 54.496 54.290 0.206 18511
2322 1 6 . 1 1 34 34 GLU CB C 32 31.161 31.161 31.012 0.149 18511
2323 1 6 . 1 1 34 34 GLU H H 32 8.152 8.152 7.909 0.243 18511
2324 1 6 . 1 1 35 35 ARG N N 33 126.589 126.589 126.473 0.116 18511
2325 1 6 . 1 1 35 35 ARG HA H 33 3.927 3.927 3.909 0.018 18511
2326 1 6 . 1 1 35 35 ARG C C 33 176.296 176.296 175.259 1.037 18511
2327 1 6 . 1 1 35 35 ARG CA C 33 56.344 56.344 55.657 0.687 18511
2328 1 6 . 1 1 35 35 ARG CB C 33 29.803 29.803 29.575 0.228 18511
2329 1 6 . 1 1 35 35 ARG H H 33 8.928 8.928 8.403 0.525 18511
2330 1 6 . 1 1 36 36 LEU N N 34 127.490 127.490 124.100 3.390 18511
2331 1 6 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.413 0.184 18511
2332 1 6 . 1 1 36 36 LEU C C 34 175.361 175.361 176.474 -1.113 18511
2333 1 6 . 1 1 36 36 LEU CA C 34 53.656 53.656 54.233 -0.577 18511
2334 1 6 . 1 1 36 36 LEU CB C 34 44.501 44.501 42.772 1.729 18511
2335 1 6 . 1 1 36 36 LEU H H 34 8.668 8.668 8.145 0.523 18511
2336 1 6 . 1 1 37 37 ALA N N 35 124.016 124.016 123.002 1.014 18511
2337 1 6 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.595 -0.046 18511
2338 1 6 . 1 1 37 37 ALA C C 35 175.757 175.757 176.401 -0.644 18511
2339 1 6 . 1 1 37 37 ALA CA C 35 50.039 50.039 50.416 -0.377 18511
2340 1 6 . 1 1 37 37 ALA CB C 35 21.822 21.822 20.814 1.008 18511
2341 1 6 . 1 1 37 37 ALA H H 35 8.177 8.177 7.947 0.230 18511
2342 1 6 . 1 1 38 38 SER N N 36 114.574 114.574 115.515 -0.941 18511
2343 1 6 . 1 1 38 38 SER HA H 36 4.440 4.440 4.593 -0.153 18511
2344 1 6 . 1 1 38 38 SER C C 36 174.005 174.005 174.395 -0.390 18511
2345 1 6 . 1 1 38 38 SER CA C 36 57.610 57.610 57.976 -0.366 18511
2346 1 6 . 1 1 38 38 SER CB C 36 62.056 62.056 62.753 -0.697 18511
2347 1 6 . 1 1 38 38 SER H H 36 8.444 8.444 8.443 0.001 18511
2348 1 6 . 1 1 39 39 GLN N N 37 126.057 126.057 125.393 0.664 18511
2349 1 6 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.454 -0.002 18511
2350 1 6 . 1 1 39 39 GLN C C 37 175.599 175.599 177.105 -1.506 18511
2351 1 6 . 1 1 39 39 GLN CA C 37 55.433 55.433 54.423 1.010 18511
2352 1 6 . 1 1 39 39 GLN CB C 37 29.970 29.970 30.813 -0.843 18511
2353 1 6 . 1 1 39 39 GLN H H 37 8.477 8.477 7.925 0.552 18511
2354 1 6 . 1 1 41 41 ARG HA H 39 4.228 4.228 4.135 0.093 18511
2355 1 6 . 1 1 41 41 ARG C C 39 174.776 174.776 176.640 -1.864 18511
2356 1 6 . 1 1 41 41 ARG CA C 39 57.143 57.143 57.730 -0.587 18511
2357 1 6 . 1 1 41 41 ARG CB C 39 30.504 30.504 30.109 0.395 18511
2358 1 6 . 1 1 42 42 VAL N N 40 119.931 119.931 121.003 -1.072 18511
2359 1 6 . 1 1 42 42 VAL HA H 40 4.602 4.602 4.414 0.188 18511
2360 1 6 . 1 1 42 42 VAL C C 40 174.854 174.854 174.935 -0.081 18511
2361 1 6 . 1 1 42 42 VAL CA C 40 61.663 61.663 61.788 -0.125 18511
2362 1 6 . 1 1 42 42 VAL CB C 40 32.800 32.800 30.413 2.387 18511
2363 1 6 . 1 1 42 42 VAL H H 40 7.662 7.662 7.945 -0.283 18511
2364 1 6 . 1 1 43 43 GLN N N 41 125.689 125.689 126.823 -1.134 18511
2365 1 6 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.408 0.123 18511
2366 1 6 . 1 1 43 43 GLN C C 41 173.952 173.952 174.563 -0.611 18511
2367 1 6 . 1 1 43 43 GLN CA C 41 53.656 53.656 55.100 -1.444 18511
2368 1 6 . 1 1 43 43 GLN CB C 41 31.817 31.817 29.249 2.568 18511
2369 1 6 . 1 1 43 43 GLN H H 41 8.937 8.937 8.493 0.444 18511
2370 1 6 . 1 1 44 44 LEU N N 42 123.562 123.562 127.920 -4.358 18511
2371 1 6 . 1 1 44 44 LEU HA H 42 4.984 4.984 4.943 0.041 18511
2372 1 6 . 1 1 44 44 LEU C C 42 176.565 176.565 176.633 -0.068 18511
2373 1 6 . 1 1 44 44 LEU CA C 42 52.931 52.931 53.388 -0.457 18511
2374 1 6 . 1 1 44 44 LEU CB C 42 42.474 42.474 42.863 -0.389 18511
2375 1 6 . 1 1 44 44 LEU H H 42 8.231 8.231 8.696 -0.465 18511
2376 1 6 . 1 1 45 45 GLU N N 43 124.016 124.016 126.417 -2.401 18511
2377 1 6 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.454 0.202 18511
2378 1 6 . 1 1 45 45 GLU C C 43 175.346 175.346 175.149 0.197 18511
2379 1 6 . 1 1 45 45 GLU CA C 43 54.723 54.723 55.401 -0.678 18511
2380 1 6 . 1 1 45 45 GLU CB C 43 32.841 32.841 29.404 3.437 18511
2381 1 6 . 1 1 45 45 GLU H H 43 9.309 9.309 8.699 0.610 18511
2382 1 6 . 1 1 46 46 GLN N N 44 125.220 125.220 124.548 0.672 18511
2383 1 6 . 1 1 46 46 GLN HA H 44 4.928 4.928 4.541 0.387 18511
2384 1 6 . 1 1 46 46 GLN C C 44 174.332 174.332 174.883 -0.551 18511
2385 1 6 . 1 1 46 46 GLN CA C 44 54.832 54.832 56.019 -1.187 18511
2386 1 6 . 1 1 46 46 GLN CB C 44 30.726 30.726 29.689 1.037 18511
2387 1 6 . 1 1 46 46 GLN H H 44 8.825 8.825 8.651 0.174 18511
2388 1 6 . 1 1 47 47 ALA N N 45 129.999 129.999 126.044 3.955 18511
2389 1 6 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.829 -0.157 18511
2390 1 6 . 1 1 47 47 ALA C C 45 177.056 177.056 176.064 0.992 18511
2391 1 6 . 1 1 47 47 ALA CA C 45 50.716 50.716 52.458 -1.742 18511
2392 1 6 . 1 1 47 47 ALA CB C 45 18.798 18.798 21.540 -2.742 18511
2393 1 6 . 1 1 47 47 ALA H H 45 8.636 8.636 9.186 -0.550 18511
2394 1 6 . 1 1 48 48 GLY CA C 46 46.885 46.885 45.265 1.620 18511
2395 1 6 . 1 1 49 49 ALA HA H 47 4.183 4.183 3.867 0.316 18511
2396 1 6 . 1 1 49 49 ALA C C 47 176.586 176.586 176.592 -0.006 18511
2397 1 6 . 1 1 49 49 ALA CA C 47 53.068 53.068 53.813 -0.745 18511
2398 1 6 . 1 1 49 49 ALA CB C 47 18.714 18.714 18.004 0.710 18511
2399 1 6 . 1 1 50 50 ARG N N 48 119.282 119.282 124.828 -5.546 18511
2400 1 6 . 1 1 50 50 ARG HA H 48 4.635 4.635 4.592 0.043 18511
2401 1 6 . 1 1 50 50 ARG C C 48 174.348 174.348 175.467 -1.119 18511
2402 1 6 . 1 1 50 50 ARG CA C 48 55.672 55.672 55.393 0.279 18511
2403 1 6 . 1 1 50 50 ARG CB C 48 31.413 31.413 30.154 1.259 18511
2404 1 6 . 1 1 50 50 ARG H H 48 7.725 7.725 7.875 -0.150 18511
2405 1 6 . 1 1 51 51 GLN N N 49 125.499 125.499 124.997 0.502 18511
2406 1 6 . 1 1 51 51 GLN HA H 49 4.961 4.961 5.376 -0.415 18511
2407 1 6 . 1 1 51 51 GLN C C 49 174.427 174.427 174.887 -0.460 18511
2408 1 6 . 1 1 51 51 GLN CA C 49 53.404 53.404 53.834 -0.430 18511
2409 1 6 . 1 1 51 51 GLN CB C 49 30.133 30.133 32.298 -2.165 18511
2410 1 6 . 1 1 51 51 GLN H H 49 9.086 9.086 7.881 1.205 18511
2411 1 6 . 1 1 52 52 VAL N N 50 121.957 121.957 123.446 -1.489 18511
2412 1 6 . 1 1 52 52 VAL HA H 50 5.185 5.185 5.002 0.183 18511
2413 1 6 . 1 1 52 52 VAL C C 50 173.714 173.714 174.086 -0.372 18511
2414 1 6 . 1 1 52 52 VAL CA C 50 60.314 60.314 60.569 -0.255 18511
2415 1 6 . 1 1 52 52 VAL CB C 50 36.154 36.154 34.211 1.944 18511
2416 1 6 . 1 1 52 52 VAL H H 50 8.687 8.687 8.464 0.223 18511
2417 1 6 . 1 1 53 53 LEU N N 51 129.580 129.580 129.017 0.563 18511
2418 1 6 . 1 1 53 53 LEU HA H 51 4.389 4.389 4.638 -0.249 18511
2419 1 6 . 1 1 53 53 LEU C C 51 174.427 174.427 174.168 0.259 18511
2420 1 6 . 1 1 53 53 LEU CA C 51 53.536 53.536 52.367 1.169 18511
2421 1 6 . 1 1 53 53 LEU CB C 51 42.056 42.056 42.639 -0.583 18511
2422 1 6 . 1 1 53 53 LEU H H 51 8.380 8.380 8.190 0.190 18511
2423 1 6 . 1 1 54 54 ARG N N 52 125.706 125.706 127.138 -1.432 18511
2424 1 6 . 1 1 54 54 ARG HA H 52 5.255 5.255 4.964 0.291 18511
2425 1 6 . 1 1 54 54 ARG C C 52 174.981 174.981 174.893 0.088 18511
2426 1 6 . 1 1 54 54 ARG CA C 52 53.992 53.992 54.096 -0.104 18511
2427 1 6 . 1 1 54 54 ARG CB C 52 33.497 33.497 31.978 1.519 18511
2428 1 6 . 1 1 54 54 ARG H H 52 8.956 8.956 8.505 0.451 18511
2429 1 6 . 1 1 55 55 VAL N N 53 123.212 123.212 125.768 -2.556 18511
2430 1 6 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.082 0.537 18511
2431 1 6 . 1 1 55 55 VAL C C 53 175.124 175.124 174.724 0.400 18511
2432 1 6 . 1 1 55 55 VAL CA C 53 61.092 61.092 61.494 -0.402 18511
2433 1 6 . 1 1 55 55 VAL CB C 53 34.527 34.527 31.583 2.944 18511
2434 1 6 . 1 1 55 55 VAL H H 53 8.511 8.511 8.261 0.250 18511
2435 1 6 . 1 1 56 56 GLN N N 54 126.653 126.653 129.707 -3.054 18511
2436 1 6 . 1 1 56 56 GLN HA H 54 4.518 4.518 4.014 0.504 18511
2437 1 6 . 1 1 56 56 GLN C C 54 176.296 176.296 176.010 0.286 18511
2438 1 6 . 1 1 56 56 GLN CA C 54 55.022 55.022 56.614 -1.592 18511
2439 1 6 . 1 1 56 56 GLN CB C 54 29.749 29.749 28.480 1.269 18511
2440 1 6 . 1 1 56 56 GLN H H 54 8.509 8.509 8.194 0.315 18511
2441 1 6 . 1 1 57 57 GLY N N 55 114.559 114.559 113.957 0.602 18511
2442 1 6 . 1 1 57 57 GLY C C 55 174.585 174.585 173.020 1.565 18511
2443 1 6 . 1 1 57 57 GLY CA C 55 47.319 47.319 44.733 2.586 18511
2444 1 6 . 1 1 57 57 GLY H H 55 8.420 8.420 8.233 0.187 18511
2445 1 6 . 1 1 58 58 ALA N N 56 122.793 122.793 121.953 0.840 18511
2446 1 6 . 1 1 58 58 ALA HA H 56 4.088 4.088 4.410 -0.322 18511
2447 1 6 . 1 1 58 58 ALA C C 56 177.120 177.120 176.201 0.919 18511
2448 1 6 . 1 1 58 58 ALA CA C 56 53.051 53.051 52.612 0.439 18511
2449 1 6 . 1 1 58 58 ALA CB C 56 18.051 18.051 19.623 -1.572 18511
2450 1 6 . 1 1 58 58 ALA H H 56 8.977 8.977 7.650 1.327 18511
2451 1 6 . 1 1 59 59 ARG N N 57 122.118 122.118 122.840 -0.722 18511
2452 1 6 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.599 0.152 18511
2453 1 6 . 1 1 59 59 ARG C C 57 177.231 177.231 175.695 1.536 18511
2454 1 6 . 1 1 59 59 ARG CA C 57 53.236 53.236 57.460 -4.224 18511
2455 1 6 . 1 1 59 59 ARG CB C 57 33.526 33.526 32.227 1.299 18511
2456 1 6 . 1 1 59 59 ARG H H 57 9.709 9.709 9.489 0.220 18511
2457 1 6 . 1 1 61 61 GLY C C 59 174.202 174.202 174.799 -0.597 18511
2458 1 6 . 1 1 61 61 GLY CA C 59 45.899 45.899 46.605 -0.706 18511
2459 1 6 . 1 1 62 62 ASP N N 60 116.489 116.489 119.144 -2.655 18511
2460 1 6 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.544 0.127 18511
2461 1 6 . 1 1 62 62 ASP C C 60 176.692 176.692 175.475 1.217 18511
2462 1 6 . 1 1 62 62 ASP CA C 60 54.854 54.854 54.144 0.710 18511
2463 1 6 . 1 1 62 62 ASP CB C 60 41.130 41.130 40.325 0.805 18511
2464 1 6 . 1 1 62 62 ASP H H 60 8.300 8.300 8.274 0.026 18511
2465 1 6 . 1 1 63 63 ALA N N 61 122.793 122.793 123.241 -0.448 18511
2466 1 6 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.410 -0.305 18511
2467 1 6 . 1 1 63 63 ALA C C 61 176.581 176.581 176.862 -0.281 18511
2468 1 6 . 1 1 63 63 ALA CA C 61 52.732 52.732 53.005 -0.273 18511
2469 1 6 . 1 1 63 63 ALA CB C 61 19.806 19.806 18.866 0.940 18511
2470 1 6 . 1 1 63 63 ALA H H 61 7.551 7.551 7.370 0.181 18511
2471 1 6 . 1 1 64 64 GLY N N 62 108.029 108.029 112.658 -4.629 18511
2472 1 6 . 1 1 64 64 GLY C C 62 171.274 171.274 172.737 -1.463 18511
2473 1 6 . 1 1 64 64 GLY CA C 62 44.826 44.826 45.233 -0.408 18511
2474 1 6 . 1 1 64 64 GLY H H 62 8.720 8.720 7.751 0.969 18511
2475 1 6 . 1 1 65 65 GLU N N 63 122.343 122.343 121.579 0.764 18511
2476 1 6 . 1 1 65 65 GLU HA H 63 5.134 5.134 5.306 -0.172 18511
2477 1 6 . 1 1 65 65 GLU C C 63 175.900 175.900 176.333 -0.433 18511
2478 1 6 . 1 1 65 65 GLU CA C 63 55.309 55.309 55.817 -0.508 18511
2479 1 6 . 1 1 65 65 GLU CB C 63 31.183 31.183 29.404 1.779 18511
2480 1 6 . 1 1 65 65 GLU H H 63 9.038 9.038 8.696 0.342 18511
2481 1 6 . 1 1 66 66 TYR N N 64 128.776 128.776 124.362 4.414 18511
2482 1 6 . 1 1 66 66 TYR HA H 64 5.769 5.769 5.032 0.737 18511
2483 1 6 . 1 1 66 66 TYR C C 64 174.157 174.157 175.943 -1.786 18511
2484 1 6 . 1 1 66 66 TYR CA C 64 56.596 56.596 57.825 -1.230 18511
2485 1 6 . 1 1 66 66 TYR CB C 64 40.857 40.857 40.724 0.133 18511
2486 1 6 . 1 1 66 66 TYR H H 64 9.984 9.984 9.159 0.825 18511
2487 1 6 . 1 1 67 67 LEU N N 65 125.560 125.560 123.329 2.231 18511
2488 1 6 . 1 1 67 67 LEU HA H 65 5.360 5.360 5.065 0.295 18511
2489 1 6 . 1 1 67 67 LEU C C 65 174.617 174.617 175.934 -1.317 18511
2490 1 6 . 1 1 67 67 LEU CA C 65 53.294 53.294 54.179 -0.885 18511
2491 1 6 . 1 1 67 67 LEU CB C 65 46.296 46.296 44.475 1.821 18511
2492 1 6 . 1 1 67 67 LEU H H 65 9.385 9.385 8.414 0.971 18511
2493 1 6 . 1 1 68 68 CYS N N 66 127.135 127.135 128.192 -1.057 18511
2494 1 6 . 1 1 68 68 CYS HA H 66 3.994 3.994 4.167 -0.173 18511
2495 1 6 . 1 1 68 68 CYS C C 66 172.383 172.383 173.983 -1.600 18511
2496 1 6 . 1 1 68 68 CYS CA C 66 57.828 57.828 57.132 0.696 18511
2497 1 6 . 1 1 68 68 CYS CB C 66 26.535 26.535 26.438 0.097 18511
2498 1 6 . 1 1 68 68 CYS H H 66 9.102 9.102 8.774 0.328 18511
2499 1 6 . 1 1 69 69 ASP N N 67 129.420 129.420 128.954 0.466 18511
2500 1 6 . 1 1 69 69 ASP HA H 67 4.953 4.953 4.517 0.436 18511
2501 1 6 . 1 1 69 69 ASP C C 67 173.128 173.128 174.626 -1.498 18511
2502 1 6 . 1 1 69 69 ASP CA C 67 53.459 53.459 53.744 -0.285 18511
2503 1 6 . 1 1 69 69 ASP CB C 67 44.249 44.249 41.433 2.816 18511
2504 1 6 . 1 1 69 69 ASP H H 67 9.296 9.296 7.904 1.392 18511
2505 1 6 . 1 1 70 70 ALA N N 68 129.162 129.162 128.242 0.920 18511
2506 1 6 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.630 0.424 18511
2507 1 6 . 1 1 70 70 ALA C C 68 175.108 175.108 175.791 -0.683 18511
2508 1 6 . 1 1 70 70 ALA CA C 68 49.404 49.404 48.959 0.445 18511
2509 1 6 . 1 1 70 70 ALA CB C 68 21.402 21.402 19.714 1.688 18511
2510 1 6 . 1 1 70 70 ALA H H 68 8.179 8.179 7.605 0.574 18511
2511 1 6 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.255 -0.090 18511
2512 1 6 . 1 1 71 71 PRO C C 69 177.840 177.840 176.614 1.226 18511
2513 1 6 . 1 1 71 71 PRO CA C 69 65.906 65.906 64.377 1.529 18511
2514 1 6 . 1 1 71 71 PRO CB C 69 31.744 31.744 32.219 -0.476 18511
2515 1 6 . 1 1 72 72 GLN N N 70 113.851 113.851 116.832 -2.981 18511
2516 1 6 . 1 1 72 72 GLN HA H 70 4.363 4.363 4.365 -0.002 18511
2517 1 6 . 1 1 72 72 GLN C C 70 174.744 174.744 175.531 -0.787 18511
2518 1 6 . 1 1 72 72 GLN CA C 70 55.239 55.239 56.570 -1.331 18511
2519 1 6 . 1 1 72 72 GLN CB C 70 29.355 29.355 30.011 -0.656 18511
2520 1 6 . 1 1 72 72 GLN H H 70 9.053 9.053 8.165 0.888 18511
2521 1 6 . 1 1 73 73 ASP N N 71 118.081 118.081 119.358 -1.277 18511
2522 1 6 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.627 0.197 18511
2523 1 6 . 1 1 73 73 ASP C C 71 173.017 173.017 174.880 -1.863 18511
2524 1 6 . 1 1 73 73 ASP CA C 71 53.992 53.992 53.362 0.630 18511
2525 1 6 . 1 1 73 73 ASP CB C 71 44.449 44.449 41.193 3.256 18511
2526 1 6 . 1 1 73 73 ASP H H 71 7.336 7.336 7.991 -0.655 18511
2527 1 6 . 1 1 74 74 SER N N 72 114.356 114.356 117.754 -3.398 18511
2528 1 6 . 1 1 74 74 SER HA H 72 5.209 5.209 4.646 0.563 18511
2529 1 6 . 1 1 74 74 SER C C 72 174.189 174.189 174.386 -0.197 18511
2530 1 6 . 1 1 74 74 SER CA C 72 57.604 57.604 57.732 -0.128 18511
2531 1 6 . 1 1 74 74 SER CB C 72 64.697 64.697 64.725 -0.028 18511
2532 1 6 . 1 1 74 74 SER H H 72 8.161 8.161 8.347 -0.186 18511
2533 1 6 . 1 1 75 75 ARG N N 73 122.793 122.793 122.723 0.070 18511
2534 1 6 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.642 0.054 18511
2535 1 6 . 1 1 75 75 ARG C C 73 173.460 173.460 174.447 -0.987 18511
2536 1 6 . 1 1 75 75 ARG CA C 73 53.404 53.404 53.765 -0.361 18511
2537 1 6 . 1 1 75 75 ARG CB C 73 33.600 33.600 33.291 0.309 18511
2538 1 6 . 1 1 75 75 ARG H H 73 8.592 8.592 8.074 0.518 18511
2539 1 6 . 1 1 76 76 ILE N N 74 122.343 122.343 123.733 -1.390 18511
2540 1 6 . 1 1 76 76 ILE HA H 74 5.154 5.154 4.697 0.457 18511
2541 1 6 . 1 1 76 76 ILE C C 74 175.266 175.266 176.029 -0.763 18511
2542 1 6 . 1 1 76 76 ILE CA C 74 59.620 59.620 60.750 -1.130 18511
2543 1 6 . 1 1 76 76 ILE CB C 74 40.889 40.889 38.607 2.282 18511
2544 1 6 . 1 1 76 76 ILE H H 74 8.262 8.262 7.983 0.279 18511
2545 1 6 . 1 1 77 77 PHE N N 75 126.428 126.428 127.120 -0.692 18511
2546 1 6 . 1 1 77 77 PHE HA H 75 5.524 5.524 5.034 0.490 18511
2547 1 6 . 1 1 77 77 PHE C C 75 174.680 174.680 175.996 -1.316 18511
2548 1 6 . 1 1 77 77 PHE CA C 75 55.570 55.570 56.790 -1.220 18511
2549 1 6 . 1 1 77 77 PHE CB C 75 42.186 42.186 40.705 1.481 18511
2550 1 6 . 1 1 77 77 PHE H H 75 9.932 9.932 8.902 1.030 18511
2551 1 6 . 1 1 78 78 LEU N N 76 126.068 126.068 126.863 -0.795 18511
2552 1 6 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.532 0.592 18511
2553 1 6 . 1 1 78 78 LEU C C 76 176.138 176.138 176.143 -0.005 18511
2554 1 6 . 1 1 78 78 LEU CA C 76 53.799 53.799 54.743 -0.944 18511
2555 1 6 . 1 1 78 78 LEU CB C 76 41.851 41.851 40.923 0.928 18511
2556 1 6 . 1 1 78 78 LEU H H 76 9.091 9.091 8.603 0.488 18511
2557 1 6 . 1 1 79 79 VAL N N 77 129.130 129.130 126.309 2.821 18511
2558 1 6 . 1 1 79 79 VAL HA H 77 5.109 5.109 4.976 0.133 18511
2559 1 6 . 1 1 79 79 VAL C C 77 176.597 176.597 175.885 0.712 18511
2560 1 6 . 1 1 79 79 VAL CA C 77 61.384 61.384 60.864 0.520 18511
2561 1 6 . 1 1 79 79 VAL CB C 77 33.846 33.846 32.242 1.603 18511
2562 1 6 . 1 1 79 79 VAL H H 77 9.408 9.408 8.064 1.344 18511
2563 1 6 . 1 1 80 80 SER N N 78 124.016 124.016 123.667 0.349 18511
2564 1 6 . 1 1 80 80 SER HA H 78 4.908 4.908 4.765 0.143 18511
2565 1 6 . 1 1 80 80 SER C C 78 172.431 172.431 174.100 -1.669 18511
2566 1 6 . 1 1 80 80 SER CA C 78 56.344 56.344 56.651 -0.307 18511
2567 1 6 . 1 1 80 80 SER CB C 78 65.164 65.164 64.495 0.669 18511
2568 1 6 . 1 1 80 80 SER H H 78 9.125 9.125 8.392 0.734 18511
2569 1 6 . 1 1 81 81 VAL N N 79 124.402 124.402 127.568 -3.166 18511
2570 1 6 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.193 0.342 18511
2571 1 6 . 1 1 81 81 VAL C C 79 174.744 174.744 176.205 -1.461 18511
2572 1 6 . 1 1 81 81 VAL CA C 79 61.028 61.028 62.465 -1.437 18511
2573 1 6 . 1 1 81 81 VAL CB C 79 32.741 32.741 30.400 2.341 18511
2574 1 6 . 1 1 81 81 VAL H H 79 8.638 8.638 8.927 -0.289 18511
2575 1 6 . 1 1 82 82 GLU N N 80 124.145 124.145 127.971 -3.826 18511
2576 1 6 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.708 -0.147 18511
2577 1 6 . 1 1 82 82 GLU C C 80 174.839 174.839 175.325 -0.486 18511
2578 1 6 . 1 1 82 82 GLU CA C 80 54.664 54.664 54.057 0.607 18511
2579 1 6 . 1 1 82 82 GLU CB C 80 32.237 32.237 33.175 -0.938 18511
2580 1 6 . 1 1 82 82 GLU H H 80 8.281 8.281 8.552 -0.271 18511
2581 1 6 . 1 1 83 83 GLU N N 81 123.244 123.244 119.358 3.886 18511
2582 1 6 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.104 0.335 18511
2583 1 6 . 1 1 83 83 GLU C C 81 173.841 173.841 174.057 -0.216 18511
2584 1 6 . 1 1 83 83 GLU CA C 81 54.611 54.611 55.661 -1.050 18511
2585 1 6 . 1 1 83 83 GLU CB C 81 29.046 29.046 28.816 0.230 18511
2586 1 6 . 1 1 83 83 GLU H H 81 8.656 8.656 8.558 0.098 18511
2587 1 7 . 1 1 4 4 THR N N 2 121.282 121.282 120.008 1.274 18511
2588 1 7 . 1 1 4 4 THR HA H 2 4.463 4.463 4.214 0.249 18511
2589 1 7 . 1 1 4 4 THR C C 2 173.255 173.255 173.654 -0.399 18511
2590 1 7 . 1 1 4 4 THR CA C 2 62.056 62.056 61.942 0.114 18511
2591 1 7 . 1 1 4 4 THR CB C 2 70.955 70.955 66.934 4.021 18511
2592 1 7 . 1 1 4 4 THR H H 2 8.319 8.319 8.243 0.076 18511
2593 1 7 . 1 1 5 5 ARG N N 3 127.535 127.535 126.287 1.248 18511
2594 1 7 . 1 1 5 5 ARG HA H 3 5.083 5.083 4.498 0.585 18511
2595 1 7 . 1 1 5 5 ARG C C 3 175.694 175.694 175.621 0.073 18511
2596 1 7 . 1 1 5 5 ARG CA C 3 55.236 55.236 55.898 -0.662 18511
2597 1 7 . 1 1 5 5 ARG CB C 3 30.776 30.776 31.381 -0.605 18511
2598 1 7 . 1 1 5 5 ARG H H 3 8.958 8.958 7.946 1.012 18511
2599 1 7 . 1 1 6 6 VAL N N 4 125.495 125.495 124.480 1.015 18511
2600 1 7 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.309 0.024 18511
2601 1 7 . 1 1 6 6 VAL C C 4 173.365 173.365 174.619 -1.254 18511
2602 1 7 . 1 1 6 6 VAL CA C 4 61.473 61.473 61.174 0.299 18511
2603 1 7 . 1 1 6 6 VAL CB C 4 35.854 35.854 35.415 0.439 18511
2604 1 7 . 1 1 6 6 VAL H H 4 8.812 8.812 8.231 0.581 18511
2605 1 7 . 1 1 7 7 ARG N N 5 127.554 127.554 125.642 1.912 18511
2606 1 7 . 1 1 7 7 ARG HA H 5 5.175 5.175 5.171 0.004 18511
2607 1 7 . 1 1 7 7 ARG C C 5 175.694 175.694 175.874 -0.180 18511
2608 1 7 . 1 1 7 7 ARG CA C 5 54.373 54.373 54.828 -0.455 18511
2609 1 7 . 1 1 7 7 ARG CB C 5 31.679 31.679 31.767 -0.088 18511
2610 1 7 . 1 1 7 7 ARG H H 5 8.712 8.712 8.573 0.139 18511
2611 1 7 . 1 1 8 8 SER N N 6 120.281 120.281 117.047 3.234 18511
2612 1 7 . 1 1 8 8 SER HA H 6 4.762 4.762 4.738 0.024 18511
2613 1 7 . 1 1 8 8 SER C C 6 173.555 173.555 173.141 0.414 18511
2614 1 7 . 1 1 8 8 SER CA C 6 56.428 56.428 56.751 -0.323 18511
2615 1 7 . 1 1 8 8 SER CB C 6 65.450 65.450 65.217 0.233 18511
2616 1 7 . 1 1 8 8 SER H H 6 8.669 8.669 8.466 0.203 18511
2617 1 7 . 1 1 9 9 THR N N 7 117.885 117.885 114.328 3.557 18511
2618 1 7 . 1 1 9 9 THR HA H 7 4.847 4.847 5.187 -0.340 18511
2619 1 7 . 1 1 9 9 THR C C 7 172.748 172.748 173.377 -0.629 18511
2620 1 7 . 1 1 9 9 THR CA C 7 59.436 59.436 58.356 1.079 18511
2621 1 7 . 1 1 9 9 THR CB C 7 69.938 69.938 69.795 0.143 18511
2622 1 7 . 1 1 9 9 THR H H 7 8.362 8.362 8.491 -0.129 18511
2623 1 7 . 1 1 10 10 PRO HA H 8 4.060 4.060 4.563 -0.503 18511
2624 1 7 . 1 1 10 10 PRO C C 8 177.966 177.966 176.922 1.044 18511
2625 1 7 . 1 1 10 10 PRO CA C 8 63.484 63.484 63.247 0.237 18511
2626 1 7 . 1 1 10 10 PRO CB C 8 30.986 30.986 29.867 1.119 18511
2627 1 7 . 1 1 11 11 GLY N N 9 114.800 114.800 113.785 1.015 18511
2628 1 7 . 1 1 11 11 GLY C C 9 174.870 174.870 174.568 0.302 18511
2629 1 7 . 1 1 11 11 GLY CA C 9 45.147 45.147 44.806 0.341 18511
2630 1 7 . 1 1 11 11 GLY H H 9 9.824 9.824 8.134 1.690 18511
2631 1 7 . 1 1 12 12 GLY N N 10 109.721 109.721 110.348 -0.627 18511
2632 1 7 . 1 1 12 12 GLY C C 10 171.924 171.924 173.270 -1.346 18511
2633 1 7 . 1 1 12 12 GLY CA C 10 43.913 43.913 43.620 0.293 18511
2634 1 7 . 1 1 12 12 GLY H H 10 8.172 8.172 7.797 0.375 18511
2635 1 7 . 1 1 13 13 ASP N N 11 119.275 119.275 122.297 -3.022 18511
2636 1 7 . 1 1 13 13 ASP HA H 11 5.316 5.316 4.697 0.619 18511
2637 1 7 . 1 1 13 13 ASP C C 11 176.185 176.185 176.026 0.159 18511
2638 1 7 . 1 1 13 13 ASP CA C 11 53.404 53.404 53.710 -0.306 18511
2639 1 7 . 1 1 13 13 ASP CB C 11 41.309 41.309 41.308 0.001 18511
2640 1 7 . 1 1 13 13 ASP H H 11 8.442 8.442 8.414 0.028 18511
2641 1 7 . 1 1 14 14 LEU N N 12 125.431 125.431 124.191 1.240 18511
2642 1 7 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.370 0.056 18511
2643 1 7 . 1 1 14 14 LEU C C 12 174.934 174.934 175.104 -0.170 18511
2644 1 7 . 1 1 14 14 LEU CA C 12 53.697 53.697 54.413 -0.717 18511
2645 1 7 . 1 1 14 14 LEU CB C 12 44.170 44.170 42.226 1.944 18511
2646 1 7 . 1 1 14 14 LEU H H 12 8.889 8.889 8.285 0.604 18511
2647 1 7 . 1 1 15 15 GLU N N 13 126.203 126.203 128.148 -1.945 18511
2648 1 7 . 1 1 15 15 GLU HA H 13 4.901 4.901 4.646 0.255 18511
2649 1 7 . 1 1 15 15 GLU C C 13 173.555 173.555 175.557 -2.002 18511
2650 1 7 . 1 1 15 15 GLU CA C 13 55.168 55.168 54.775 0.393 18511
2651 1 7 . 1 1 15 15 GLU CB C 13 32.489 32.489 30.677 1.812 18511
2652 1 7 . 1 1 15 15 GLU H H 13 8.469 8.469 8.347 0.122 18511
2653 1 7 . 1 1 16 16 LEU N N 14 127.480 127.480 129.998 -2.518 18511
2654 1 7 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.611 -0.389 18511
2655 1 7 . 1 1 16 16 LEU C C 14 174.221 174.221 175.699 -1.478 18511
2656 1 7 . 1 1 16 16 LEU CA C 14 52.900 52.900 54.135 -1.235 18511
2657 1 7 . 1 1 16 16 LEU CB C 14 40.861 40.861 42.229 -1.368 18511
2658 1 7 . 1 1 16 16 LEU H H 14 9.082 9.082 8.672 0.410 18511
2659 1 7 . 1 1 17 17 VAL N N 15 122.038 122.038 126.397 -4.359 18511
2660 1 7 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.197 0.564 18511
2661 1 7 . 1 1 17 17 VAL C C 15 175.330 175.330 175.823 -0.493 18511
2662 1 7 . 1 1 17 17 VAL CA C 15 61.468 61.468 62.293 -0.825 18511
2663 1 7 . 1 1 17 17 VAL CB C 15 33.749 33.749 31.404 2.345 18511
2664 1 7 . 1 1 17 17 VAL H H 15 8.105 8.105 8.557 -0.452 18511
2665 1 7 . 1 1 18 18 VAL N N 16 127.741 127.741 128.706 -0.965 18511
2666 1 7 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.483 -0.198 18511
2667 1 7 . 1 1 18 18 VAL C C 16 173.555 173.555 174.778 -1.223 18511
2668 1 7 . 1 1 18 18 VAL CA C 16 61.020 61.020 61.841 -0.821 18511
2669 1 7 . 1 1 18 18 VAL CB C 16 35.604 35.604 32.623 2.981 18511
2670 1 7 . 1 1 18 18 VAL H H 16 9.335 9.335 8.403 0.932 18511
2671 1 7 . 1 1 19 19 HIS N N 17 126.695 126.695 123.652 3.043 18511
2672 1 7 . 1 1 19 19 HIS HA H 17 5.023 5.023 5.102 -0.079 18511
2673 1 7 . 1 1 19 19 HIS C C 17 175.710 175.710 175.311 0.399 18511
2674 1 7 . 1 1 19 19 HIS CA C 17 55.225 55.225 55.128 0.097 18511
2675 1 7 . 1 1 19 19 HIS CB C 17 30.418 30.418 29.823 0.595 18511
2676 1 7 . 1 1 19 19 HIS H H 17 8.710 8.710 8.688 0.022 18511
2677 1 7 . 1 1 20 20 LEU N N 18 124.981 124.981 119.220 5.761 18511
2678 1 7 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.260 0.051 18511
2679 1 7 . 1 1 20 20 LEU C C 18 177.357 177.357 177.213 0.144 18511
2680 1 7 . 1 1 20 20 LEU CA C 18 54.162 54.162 55.033 -0.871 18511
2681 1 7 . 1 1 20 20 LEU CB C 18 43.005 43.005 41.753 1.252 18511
2682 1 7 . 1 1 20 20 LEU H H 18 8.941 8.941 7.840 1.101 18511
2683 1 7 . 1 1 21 21 SER N N 19 116.428 116.428 115.817 0.611 18511
2684 1 7 . 1 1 21 21 SER HA H 19 4.280 4.280 4.474 -0.194 18511
2685 1 7 . 1 1 21 21 SER C C 19 174.348 174.348 174.382 -0.034 18511
2686 1 7 . 1 1 21 21 SER CA C 19 59.696 59.696 59.241 0.455 18511
2687 1 7 . 1 1 21 21 SER CB C 19 63.364 63.364 63.572 -0.208 18511
2688 1 7 . 1 1 21 21 SER H H 19 9.513 9.513 8.314 1.199 18511
2689 1 7 . 1 1 22 22 GLY N N 20 107.975 107.975 109.860 -1.885 18511
2690 1 7 . 1 1 22 22 GLY C C 20 171.306 171.306 172.300 -0.994 18511
2691 1 7 . 1 1 22 22 GLY CA C 20 44.193 44.193 42.759 1.434 18511
2692 1 7 . 1 1 22 22 GLY H H 20 7.532 7.532 7.808 -0.276 18511
2693 1 7 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.299 0.064 18511
2694 1 7 . 1 1 23 23 PRO C C 21 177.141 177.141 177.250 -0.109 18511
2695 1 7 . 1 1 23 23 PRO CA C 21 63.096 63.096 63.076 0.020 18511
2696 1 7 . 1 1 23 23 PRO CB C 21 32.105 32.105 31.967 0.138 18511
2697 1 7 . 1 1 24 24 GLY N N 22 107.827 107.827 113.985 -6.158 18511
2698 1 7 . 1 1 24 24 GLY C C 22 173.270 173.270 174.184 -0.914 18511
2699 1 7 . 1 1 24 24 GLY CA C 22 45.013 45.013 45.780 -0.767 18511
2700 1 7 . 1 1 24 24 GLY H H 22 8.264 8.264 8.294 -0.030 18511
2701 1 7 . 1 1 25 25 GLY N N 23 108.700 108.700 108.959 -0.259 18511
2702 1 7 . 1 1 25 25 GLY C C 23 170.292 170.292 172.869 -2.577 18511
2703 1 7 . 1 1 25 25 GLY CA C 23 43.573 43.573 44.714 -1.141 18511
2704 1 7 . 1 1 25 25 GLY H H 23 7.797 7.797 8.189 -0.392 18511
2705 1 7 . 1 1 26 26 PRO HA H 24 4.574 4.574 4.675 -0.101 18511
2706 1 7 . 1 1 26 26 PRO C C 24 175.331 175.331 176.286 -0.955 18511
2707 1 7 . 1 1 26 26 PRO CA C 24 62.105 62.105 62.413 -0.308 18511
2708 1 7 . 1 1 26 26 PRO CB C 24 34.842 34.842 32.610 2.232 18511
2709 1 7 . 1 1 27 27 VAL N N 25 121.565 121.565 122.701 -1.136 18511
2710 1 7 . 1 1 27 27 VAL HA H 25 4.662 4.662 3.889 0.773 18511
2711 1 7 . 1 1 27 27 VAL C C 25 175.742 175.742 176.138 -0.396 18511
2712 1 7 . 1 1 27 27 VAL CA C 25 61.384 61.384 63.641 -2.257 18511
2713 1 7 . 1 1 27 27 VAL CB C 25 32.971 32.971 31.971 1.000 18511
2714 1 7 . 1 1 27 27 VAL H H 25 8.579 8.579 8.060 0.519 18511
2715 1 7 . 1 1 28 28 ARG N N 26 127.876 127.876 127.269 0.607 18511
2716 1 7 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.432 0.150 18511
2717 1 7 . 1 1 28 28 ARG C C 26 173.144 173.144 174.959 -1.815 18511
2718 1 7 . 1 1 28 28 ARG CA C 26 54.861 54.861 54.801 0.060 18511
2719 1 7 . 1 1 28 28 ARG CB C 26 34.589 34.589 31.994 2.595 18511
2720 1 7 . 1 1 28 28 ARG H H 26 8.856 8.856 8.454 0.402 18511
2721 1 7 . 1 1 29 29 TRP N N 27 121.571 121.571 125.109 -3.538 18511
2722 1 7 . 1 1 29 29 TRP HA H 27 5.986 5.986 5.010 0.976 18511
2723 1 7 . 1 1 29 29 TRP C C 27 175.932 175.932 175.808 0.124 18511
2724 1 7 . 1 1 29 29 TRP CA C 27 55.504 55.504 56.144 -0.639 18511
2725 1 7 . 1 1 29 29 TRP CB C 27 32.584 32.584 31.289 1.295 18511
2726 1 7 . 1 1 29 29 TRP H H 27 8.858 8.858 8.536 0.322 18511
2727 1 7 . 1 1 30 30 TYR N N 28 118.451 118.451 122.034 -3.583 18511
2728 1 7 . 1 1 30 30 TYR HA H 28 5.332 5.332 4.981 0.351 18511
2729 1 7 . 1 1 30 30 TYR C C 28 175.108 175.108 174.531 0.577 18511
2730 1 7 . 1 1 30 30 TYR CA C 28 55.924 55.924 57.059 -1.135 18511
2731 1 7 . 1 1 30 30 TYR CB C 28 43.194 43.194 42.712 0.482 18511
2732 1 7 . 1 1 30 30 TYR H H 28 9.605 9.605 8.928 0.677 18511
2733 1 7 . 1 1 31 31 LYS N N 29 120.638 120.638 120.941 -0.303 18511
2734 1 7 . 1 1 31 31 LYS HA H 29 4.790 4.790 4.865 -0.075 18511
2735 1 7 . 1 1 31 31 LYS C C 29 176.565 176.565 176.541 0.024 18511
2736 1 7 . 1 1 31 31 LYS CA C 29 54.496 54.496 54.269 0.227 18511
2737 1 7 . 1 1 31 31 LYS CB C 29 35.345 35.345 35.369 -0.024 18511
2738 1 7 . 1 1 31 31 LYS H H 29 9.055 9.055 8.949 0.106 18511
2739 1 7 . 1 1 32 32 ASP N N 30 131.009 131.009 127.355 3.654 18511
2740 1 7 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.281 0.165 18511
2741 1 7 . 1 1 32 32 ASP C C 30 176.344 176.344 176.189 0.155 18511
2742 1 7 . 1 1 32 32 ASP CA C 30 55.846 55.846 55.716 0.130 18511
2743 1 7 . 1 1 32 32 ASP CB C 30 40.289 40.289 39.864 0.426 18511
2744 1 7 . 1 1 32 32 ASP H H 30 10.006 10.006 8.830 1.176 18511
2745 1 7 . 1 1 33 33 GLY N N 31 102.658 102.658 105.256 -2.598 18511
2746 1 7 . 1 1 33 33 GLY C C 31 173.809 173.809 173.594 0.215 18511
2747 1 7 . 1 1 33 33 GLY CA C 31 45.127 45.127 45.101 0.026 18511
2748 1 7 . 1 1 33 33 GLY H H 31 8.903 8.903 8.735 0.168 18511
2749 1 7 . 1 1 34 34 GLU N N 32 121.796 121.796 121.221 0.575 18511
2750 1 7 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.759 -0.017 18511
2751 1 7 . 1 1 34 34 GLU C C 32 175.789 175.789 175.588 0.201 18511
2752 1 7 . 1 1 34 34 GLU CA C 32 54.496 54.496 54.388 0.108 18511
2753 1 7 . 1 1 34 34 GLU CB C 32 31.161 31.161 31.744 -0.583 18511
2754 1 7 . 1 1 34 34 GLU H H 32 8.152 8.152 7.807 0.345 18511
2755 1 7 . 1 1 35 35 ARG N N 33 126.589 126.589 125.621 0.968 18511
2756 1 7 . 1 1 35 35 ARG HA H 33 3.927 3.927 4.348 -0.421 18511
2757 1 7 . 1 1 35 35 ARG C C 33 176.296 176.296 175.217 1.079 18511
2758 1 7 . 1 1 35 35 ARG CA C 33 56.344 56.344 56.309 0.035 18511
2759 1 7 . 1 1 35 35 ARG CB C 33 29.803 29.803 30.320 -0.517 18511
2760 1 7 . 1 1 35 35 ARG H H 33 8.928 8.928 8.827 0.101 18511
2761 1 7 . 1 1 36 36 LEU N N 34 127.490 127.490 123.018 4.472 18511
2762 1 7 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.490 0.107 18511
2763 1 7 . 1 1 36 36 LEU C C 34 175.361 175.361 175.826 -0.465 18511
2764 1 7 . 1 1 36 36 LEU CA C 34 53.656 53.656 54.182 -0.526 18511
2765 1 7 . 1 1 36 36 LEU CB C 34 44.501 44.501 42.886 1.615 18511
2766 1 7 . 1 1 36 36 LEU H H 34 8.668 8.668 7.899 0.769 18511
2767 1 7 . 1 1 37 37 ALA N N 35 124.016 124.016 122.036 1.980 18511
2768 1 7 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.620 -0.071 18511
2769 1 7 . 1 1 37 37 ALA C C 35 175.757 175.757 175.618 0.139 18511
2770 1 7 . 1 1 37 37 ALA CA C 35 50.039 50.039 50.906 -0.867 18511
2771 1 7 . 1 1 37 37 ALA CB C 35 21.822 21.822 21.662 0.160 18511
2772 1 7 . 1 1 37 37 ALA H H 35 8.177 8.177 8.220 -0.043 18511
2773 1 7 . 1 1 38 38 SER N N 36 114.574 114.574 116.889 -2.315 18511
2774 1 7 . 1 1 38 38 SER HA H 36 4.440 4.440 4.850 -0.410 18511
2775 1 7 . 1 1 38 38 SER C C 36 174.005 174.005 174.417 -0.412 18511
2776 1 7 . 1 1 38 38 SER CA C 36 57.610 57.610 58.113 -0.503 18511
2777 1 7 . 1 1 38 38 SER CB C 36 62.056 62.056 63.411 -1.355 18511
2778 1 7 . 1 1 38 38 SER H H 36 8.444 8.444 8.428 0.016 18511
2779 1 7 . 1 1 39 39 GLN N N 37 126.057 126.057 126.806 -0.749 18511
2780 1 7 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.423 0.029 18511
2781 1 7 . 1 1 39 39 GLN C C 37 175.599 175.599 176.135 -0.536 18511
2782 1 7 . 1 1 39 39 GLN CA C 37 55.433 55.433 56.882 -1.449 18511
2783 1 7 . 1 1 39 39 GLN CB C 37 29.970 29.970 29.328 0.642 18511
2784 1 7 . 1 1 39 39 GLN H H 37 8.477 8.477 8.240 0.237 18511
2785 1 7 . 1 1 41 41 ARG HA H 39 4.228 4.228 4.400 -0.172 18511
2786 1 7 . 1 1 41 41 ARG C C 39 174.776 174.776 176.254 -1.478 18511
2787 1 7 . 1 1 41 41 ARG CA C 39 57.143 57.143 57.431 -0.288 18511
2788 1 7 . 1 1 41 41 ARG CB C 39 30.504 30.504 30.924 -0.420 18511
2789 1 7 . 1 1 42 42 VAL N N 40 119.931 119.931 119.460 0.471 18511
2790 1 7 . 1 1 42 42 VAL HA H 40 4.602 4.602 4.153 0.449 18511
2791 1 7 . 1 1 42 42 VAL C C 40 174.854 174.854 174.729 0.125 18511
2792 1 7 . 1 1 42 42 VAL CA C 40 61.663 61.663 61.929 -0.267 18511
2793 1 7 . 1 1 42 42 VAL CB C 40 32.800 32.800 29.667 3.133 18511
2794 1 7 . 1 1 42 42 VAL H H 40 7.662 7.662 7.820 -0.158 18511
2795 1 7 . 1 1 43 43 GLN N N 41 125.689 125.689 127.779 -2.090 18511
2796 1 7 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.532 -0.001 18511
2797 1 7 . 1 1 43 43 GLN C C 41 173.952 173.952 174.334 -0.382 18511
2798 1 7 . 1 1 43 43 GLN CA C 41 53.656 53.656 54.246 -0.590 18511
2799 1 7 . 1 1 43 43 GLN CB C 41 31.817 31.817 29.413 2.404 18511
2800 1 7 . 1 1 43 43 GLN H H 41 8.937 8.937 8.477 0.460 18511
2801 1 7 . 1 1 44 44 LEU N N 42 123.562 123.562 127.556 -3.994 18511
2802 1 7 . 1 1 44 44 LEU HA H 42 4.984 4.984 4.736 0.248 18511
2803 1 7 . 1 1 44 44 LEU C C 42 176.565 176.565 176.203 0.362 18511
2804 1 7 . 1 1 44 44 LEU CA C 42 52.931 52.931 53.478 -0.547 18511
2805 1 7 . 1 1 44 44 LEU CB C 42 42.474 42.474 42.892 -0.418 18511
2806 1 7 . 1 1 44 44 LEU H H 42 8.231 8.231 8.641 -0.410 18511
2807 1 7 . 1 1 45 45 GLU N N 43 124.016 124.016 126.453 -2.437 18511
2808 1 7 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.450 0.206 18511
2809 1 7 . 1 1 45 45 GLU C C 43 175.346 175.346 175.137 0.209 18511
2810 1 7 . 1 1 45 45 GLU CA C 43 54.723 54.723 54.797 -0.074 18511
2811 1 7 . 1 1 45 45 GLU CB C 43 32.841 32.841 30.878 1.963 18511
2812 1 7 . 1 1 45 45 GLU H H 43 9.309 9.309 8.624 0.685 18511
2813 1 7 . 1 1 46 46 GLN N N 44 125.220 125.220 125.975 -0.755 18511
2814 1 7 . 1 1 46 46 GLN HA H 44 4.928 4.928 4.787 0.141 18511
2815 1 7 . 1 1 46 46 GLN C C 44 174.332 174.332 175.285 -0.953 18511
2816 1 7 . 1 1 46 46 GLN CA C 44 54.832 54.832 55.503 -0.671 18511
2817 1 7 . 1 1 46 46 GLN CB C 44 30.726 30.726 28.310 2.416 18511
2818 1 7 . 1 1 46 46 GLN H H 44 8.825 8.825 8.795 0.030 18511
2819 1 7 . 1 1 47 47 ALA N N 45 129.999 129.999 128.267 1.732 18511
2820 1 7 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.664 0.008 18511
2821 1 7 . 1 1 47 47 ALA C C 45 177.056 177.056 177.201 -0.145 18511
2822 1 7 . 1 1 47 47 ALA CA C 45 50.716 50.716 50.655 0.061 18511
2823 1 7 . 1 1 47 47 ALA CB C 45 18.798 18.798 20.982 -2.184 18511
2824 1 7 . 1 1 47 47 ALA H H 45 8.636 8.636 8.074 0.562 18511
2825 1 7 . 1 1 48 48 GLY CA C 46 46.885 46.885 46.361 0.524 18511
2826 1 7 . 1 1 49 49 ALA HA H 47 4.183 4.183 4.288 -0.105 18511
2827 1 7 . 1 1 49 49 ALA C C 47 176.586 176.586 178.132 -1.546 18511
2828 1 7 . 1 1 49 49 ALA CA C 47 53.068 53.068 53.098 -0.030 18511
2829 1 7 . 1 1 49 49 ALA CB C 47 18.714 18.714 19.345 -0.631 18511
2830 1 7 . 1 1 50 50 ARG N N 48 119.282 119.282 120.431 -1.149 18511
2831 1 7 . 1 1 50 50 ARG HA H 48 4.635 4.635 4.320 0.315 18511
2832 1 7 . 1 1 50 50 ARG C C 48 174.348 174.348 175.041 -0.693 18511
2833 1 7 . 1 1 50 50 ARG CA C 48 55.672 55.672 54.919 0.753 18511
2834 1 7 . 1 1 50 50 ARG CB C 48 31.413 31.413 29.818 1.595 18511
2835 1 7 . 1 1 50 50 ARG H H 48 7.725 7.725 8.037 -0.312 18511
2836 1 7 . 1 1 51 51 GLN N N 49 125.499 125.499 124.775 0.724 18511
2837 1 7 . 1 1 51 51 GLN HA H 49 4.961 4.961 4.772 0.189 18511
2838 1 7 . 1 1 51 51 GLN C C 49 174.427 174.427 174.852 -0.425 18511
2839 1 7 . 1 1 51 51 GLN CA C 49 53.404 53.404 54.221 -0.817 18511
2840 1 7 . 1 1 51 51 GLN CB C 49 30.133 30.133 30.313 -0.180 18511
2841 1 7 . 1 1 51 51 GLN H H 49 9.086 9.086 7.773 1.313 18511
2842 1 7 . 1 1 52 52 VAL N N 50 121.957 121.957 124.869 -2.912 18511
2843 1 7 . 1 1 52 52 VAL HA H 50 5.185 5.185 5.072 0.113 18511
2844 1 7 . 1 1 52 52 VAL C C 50 173.714 173.714 174.237 -0.523 18511
2845 1 7 . 1 1 52 52 VAL CA C 50 60.314 60.314 60.492 -0.178 18511
2846 1 7 . 1 1 52 52 VAL CB C 50 36.154 36.154 33.343 2.811 18511
2847 1 7 . 1 1 52 52 VAL H H 50 8.687 8.687 8.207 0.480 18511
2848 1 7 . 1 1 53 53 LEU N N 51 129.580 129.580 129.895 -0.315 18511
2849 1 7 . 1 1 53 53 LEU HA H 51 4.389 4.389 4.783 -0.394 18511
2850 1 7 . 1 1 53 53 LEU C C 51 174.427 174.427 174.762 -0.335 18511
2851 1 7 . 1 1 53 53 LEU CA C 51 53.536 53.536 52.649 0.887 18511
2852 1 7 . 1 1 53 53 LEU CB C 51 42.056 42.056 42.134 -0.078 18511
2853 1 7 . 1 1 53 53 LEU H H 51 8.380 8.380 7.616 0.764 18511
2854 1 7 . 1 1 54 54 ARG N N 52 125.706 125.706 127.779 -2.073 18511
2855 1 7 . 1 1 54 54 ARG HA H 52 5.255 5.255 4.881 0.374 18511
2856 1 7 . 1 1 54 54 ARG C C 52 174.981 174.981 175.246 -0.265 18511
2857 1 7 . 1 1 54 54 ARG CA C 52 53.992 53.992 54.060 -0.068 18511
2858 1 7 . 1 1 54 54 ARG CB C 52 33.497 33.497 31.480 2.017 18511
2859 1 7 . 1 1 54 54 ARG H H 52 8.956 8.956 8.683 0.273 18511
2860 1 7 . 1 1 55 55 VAL N N 53 123.212 123.212 126.910 -3.698 18511
2861 1 7 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.280 0.339 18511
2862 1 7 . 1 1 55 55 VAL C C 53 175.124 175.124 175.788 -0.664 18511
2863 1 7 . 1 1 55 55 VAL CA C 53 61.092 61.092 61.805 -0.713 18511
2864 1 7 . 1 1 55 55 VAL CB C 53 34.527 34.527 30.911 3.616 18511
2865 1 7 . 1 1 55 55 VAL H H 53 8.511 8.511 8.479 0.032 18511
2866 1 7 . 1 1 56 56 GLN N N 54 126.653 126.653 129.429 -2.776 18511
2867 1 7 . 1 1 56 56 GLN HA H 54 4.518 4.518 4.123 0.395 18511
2868 1 7 . 1 1 56 56 GLN C C 54 176.296 176.296 176.442 -0.146 18511
2869 1 7 . 1 1 56 56 GLN CA C 54 55.022 55.022 56.992 -1.970 18511
2870 1 7 . 1 1 56 56 GLN CB C 54 29.749 29.749 28.740 1.009 18511
2871 1 7 . 1 1 56 56 GLN H H 54 8.509 8.509 8.310 0.199 18511
2872 1 7 . 1 1 57 57 GLY N N 55 114.559 114.559 110.161 4.398 18511
2873 1 7 . 1 1 57 57 GLY C C 55 174.585 174.585 173.750 0.835 18511
2874 1 7 . 1 1 57 57 GLY CA C 55 47.319 47.319 44.744 2.575 18511
2875 1 7 . 1 1 57 57 GLY H H 55 8.420 8.420 8.899 -0.478 18511
2876 1 7 . 1 1 58 58 ALA N N 56 122.793 122.793 123.693 -0.900 18511
2877 1 7 . 1 1 58 58 ALA HA H 56 4.088 4.088 4.433 -0.345 18511
2878 1 7 . 1 1 58 58 ALA C C 56 177.120 177.120 176.989 0.131 18511
2879 1 7 . 1 1 58 58 ALA CA C 56 53.051 53.051 51.667 1.384 18511
2880 1 7 . 1 1 58 58 ALA CB C 56 18.051 18.051 19.521 -1.470 18511
2881 1 7 . 1 1 58 58 ALA H H 56 8.977 8.977 7.845 1.132 18511
2882 1 7 . 1 1 59 59 ARG N N 57 122.118 122.118 125.652 -3.534 18511
2883 1 7 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.426 0.325 18511
2884 1 7 . 1 1 59 59 ARG C C 57 177.231 177.231 177.950 -0.719 18511
2885 1 7 . 1 1 59 59 ARG CA C 57 53.236 53.236 54.573 -1.337 18511
2886 1 7 . 1 1 59 59 ARG CB C 57 33.526 33.526 30.651 2.875 18511
2887 1 7 . 1 1 59 59 ARG H H 57 9.709 9.709 8.481 1.228 18511
2888 1 7 . 1 1 61 61 GLY C C 59 174.202 174.202 174.818 -0.616 18511
2889 1 7 . 1 1 61 61 GLY CA C 59 45.899 45.899 46.195 -0.296 18511
2890 1 7 . 1 1 62 62 ASP N N 60 116.489 116.489 120.198 -3.709 18511
2891 1 7 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.711 -0.040 18511
2892 1 7 . 1 1 62 62 ASP C C 60 176.692 176.692 175.226 1.466 18511
2893 1 7 . 1 1 62 62 ASP CA C 60 54.854 54.854 54.502 0.352 18511
2894 1 7 . 1 1 62 62 ASP CB C 60 41.130 41.130 41.183 -0.053 18511
2895 1 7 . 1 1 62 62 ASP H H 60 8.300 8.300 7.799 0.501 18511
2896 1 7 . 1 1 63 63 ALA N N 61 122.793 122.793 123.311 -0.518 18511
2897 1 7 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.399 -0.294 18511
2898 1 7 . 1 1 63 63 ALA C C 61 176.581 176.581 176.576 0.005 18511
2899 1 7 . 1 1 63 63 ALA CA C 61 52.732 52.732 52.568 0.164 18511
2900 1 7 . 1 1 63 63 ALA CB C 61 19.806 19.806 18.421 1.385 18511
2901 1 7 . 1 1 63 63 ALA H H 61 7.551 7.551 7.263 0.288 18511
2902 1 7 . 1 1 64 64 GLY N N 62 108.029 108.029 111.492 -3.463 18511
2903 1 7 . 1 1 64 64 GLY C C 62 171.274 171.274 172.590 -1.316 18511
2904 1 7 . 1 1 64 64 GLY CA C 62 44.826 44.826 44.729 0.097 18511
2905 1 7 . 1 1 64 64 GLY H H 62 8.720 8.720 7.864 0.856 18511
2906 1 7 . 1 1 65 65 GLU N N 63 122.343 122.343 120.877 1.466 18511
2907 1 7 . 1 1 65 65 GLU HA H 63 5.134 5.134 5.116 0.018 18511
2908 1 7 . 1 1 65 65 GLU C C 63 175.900 175.900 175.971 -0.071 18511
2909 1 7 . 1 1 65 65 GLU CA C 63 55.309 55.309 55.811 -0.502 18511
2910 1 7 . 1 1 65 65 GLU CB C 63 31.183 31.183 29.264 1.919 18511
2911 1 7 . 1 1 65 65 GLU H H 63 9.038 9.038 8.668 0.370 18511
2912 1 7 . 1 1 66 66 TYR N N 64 128.776 128.776 125.194 3.582 18511
2913 1 7 . 1 1 66 66 TYR HA H 64 5.769 5.769 5.128 0.641 18511
2914 1 7 . 1 1 66 66 TYR C C 64 174.157 174.157 175.812 -1.655 18511
2915 1 7 . 1 1 66 66 TYR CA C 64 56.596 56.596 57.293 -0.697 18511
2916 1 7 . 1 1 66 66 TYR CB C 64 40.857 40.857 39.351 1.506 18511
2917 1 7 . 1 1 66 66 TYR H H 64 9.984 9.984 9.091 0.893 18511
2918 1 7 . 1 1 67 67 LEU N N 65 125.560 125.560 126.455 -0.895 18511
2919 1 7 . 1 1 67 67 LEU HA H 65 5.360 5.360 4.928 0.432 18511
2920 1 7 . 1 1 67 67 LEU C C 65 174.617 174.617 175.791 -1.174 18511
2921 1 7 . 1 1 67 67 LEU CA C 65 53.294 53.294 54.037 -0.743 18511
2922 1 7 . 1 1 67 67 LEU CB C 65 46.296 46.296 43.026 3.270 18511
2923 1 7 . 1 1 67 67 LEU H H 65 9.385 9.385 8.809 0.576 18511
2924 1 7 . 1 1 68 68 CYS N N 66 127.135 127.135 128.989 -1.854 18511
2925 1 7 . 1 1 68 68 CYS HA H 66 3.994 3.994 3.960 0.034 18511
2926 1 7 . 1 1 68 68 CYS C C 66 172.383 172.383 173.721 -1.338 18511
2927 1 7 . 1 1 68 68 CYS CA C 66 57.828 57.828 57.023 0.805 18511
2928 1 7 . 1 1 68 68 CYS CB C 66 26.535 26.535 25.635 0.900 18511
2929 1 7 . 1 1 68 68 CYS H H 66 9.102 9.102 8.770 0.332 18511
2930 1 7 . 1 1 69 69 ASP N N 67 129.420 129.420 129.411 0.009 18511
2931 1 7 . 1 1 69 69 ASP HA H 67 4.953 4.953 4.836 0.117 18511
2932 1 7 . 1 1 69 69 ASP C C 67 173.128 173.128 174.452 -1.324 18511
2933 1 7 . 1 1 69 69 ASP CA C 67 53.459 53.459 53.957 -0.498 18511
2934 1 7 . 1 1 69 69 ASP CB C 67 44.249 44.249 42.839 1.411 18511
2935 1 7 . 1 1 69 69 ASP H H 67 9.296 9.296 8.303 0.993 18511
2936 1 7 . 1 1 70 70 ALA N N 68 129.162 129.162 128.220 0.942 18511
2937 1 7 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.695 0.359 18511
2938 1 7 . 1 1 70 70 ALA C C 68 175.108 175.108 175.246 -0.138 18511
2939 1 7 . 1 1 70 70 ALA CA C 68 49.404 49.404 48.640 0.764 18511
2940 1 7 . 1 1 70 70 ALA CB C 68 21.402 21.402 20.317 1.085 18511
2941 1 7 . 1 1 70 70 ALA H H 68 8.179 8.179 7.812 0.367 18511
2942 1 7 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.384 -0.219 18511
2943 1 7 . 1 1 71 71 PRO C C 69 177.840 177.840 177.402 0.438 18511
2944 1 7 . 1 1 71 71 PRO CA C 69 65.906 65.906 63.635 2.271 18511
2945 1 7 . 1 1 71 71 PRO CB C 69 31.744 31.744 32.259 -0.515 18511
2946 1 7 . 1 1 72 72 GLN N N 70 113.851 113.851 122.359 -8.508 18511
2947 1 7 . 1 1 72 72 GLN HA H 70 4.363 4.363 3.914 0.449 18511
2948 1 7 . 1 1 72 72 GLN C C 70 174.744 174.744 175.038 -0.294 18511
2949 1 7 . 1 1 72 72 GLN CA C 70 55.239 55.239 58.159 -2.920 18511
2950 1 7 . 1 1 72 72 GLN CB C 70 29.355 29.355 27.693 1.662 18511
2951 1 7 . 1 1 72 72 GLN H H 70 9.053 9.053 8.897 0.156 18511
2952 1 7 . 1 1 73 73 ASP N N 71 118.081 118.081 121.417 -3.336 18511
2953 1 7 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.838 -0.014 18511
2954 1 7 . 1 1 73 73 ASP C C 71 173.017 173.017 174.741 -1.724 18511
2955 1 7 . 1 1 73 73 ASP CA C 71 53.992 53.992 53.552 0.440 18511
2956 1 7 . 1 1 73 73 ASP CB C 71 44.449 44.449 41.749 2.700 18511
2957 1 7 . 1 1 73 73 ASP H H 71 7.336 7.336 7.975 -0.639 18511
2958 1 7 . 1 1 74 74 SER N N 72 114.356 114.356 120.061 -5.705 18511
2959 1 7 . 1 1 74 74 SER HA H 72 5.209 5.209 4.563 0.646 18511
2960 1 7 . 1 1 74 74 SER C C 72 174.189 174.189 174.273 -0.084 18511
2961 1 7 . 1 1 74 74 SER CA C 72 57.604 57.604 58.099 -0.495 18511
2962 1 7 . 1 1 74 74 SER CB C 72 64.697 64.697 63.988 0.709 18511
2963 1 7 . 1 1 74 74 SER H H 72 8.161 8.161 8.430 -0.269 18511
2964 1 7 . 1 1 75 75 ARG N N 73 122.793 122.793 127.230 -4.437 18511
2965 1 7 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.690 0.006 18511
2966 1 7 . 1 1 75 75 ARG C C 73 173.460 173.460 174.785 -1.325 18511
2967 1 7 . 1 1 75 75 ARG CA C 73 53.404 53.404 53.305 0.099 18511
2968 1 7 . 1 1 75 75 ARG CB C 73 33.600 33.600 32.329 1.271 18511
2969 1 7 . 1 1 75 75 ARG H H 73 8.592 8.592 8.547 0.045 18511
2970 1 7 . 1 1 76 76 ILE N N 74 122.343 122.343 123.443 -1.100 18511
2971 1 7 . 1 1 76 76 ILE HA H 74 5.154 5.154 4.293 0.861 18511
2972 1 7 . 1 1 76 76 ILE C C 74 175.266 175.266 175.069 0.197 18511
2973 1 7 . 1 1 76 76 ILE CA C 74 59.620 59.620 61.007 -1.387 18511
2974 1 7 . 1 1 76 76 ILE CB C 74 40.889 40.889 38.762 2.127 18511
2975 1 7 . 1 1 76 76 ILE H H 74 8.262 8.262 8.056 0.206 18511
2976 1 7 . 1 1 77 77 PHE N N 75 126.428 126.428 126.437 -0.009 18511
2977 1 7 . 1 1 77 77 PHE HA H 75 5.524 5.524 5.150 0.374 18511
2978 1 7 . 1 1 77 77 PHE C C 75 174.680 174.680 175.394 -0.714 18511
2979 1 7 . 1 1 77 77 PHE CA C 75 55.570 55.570 55.843 -0.273 18511
2980 1 7 . 1 1 77 77 PHE CB C 75 42.186 42.186 39.614 2.572 18511
2981 1 7 . 1 1 77 77 PHE H H 75 9.932 9.932 8.919 1.013 18511
2982 1 7 . 1 1 78 78 LEU N N 76 126.068 126.068 126.439 -0.371 18511
2983 1 7 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.434 0.690 18511
2984 1 7 . 1 1 78 78 LEU C C 76 176.138 176.138 176.048 0.090 18511
2985 1 7 . 1 1 78 78 LEU CA C 76 53.799 53.799 54.551 -0.752 18511
2986 1 7 . 1 1 78 78 LEU CB C 76 41.851 41.851 41.034 0.817 18511
2987 1 7 . 1 1 78 78 LEU H H 76 9.091 9.091 8.851 0.240 18511
2988 1 7 . 1 1 79 79 VAL N N 77 129.130 129.130 126.982 2.148 18511
2989 1 7 . 1 1 79 79 VAL HA H 77 5.109 5.109 5.041 0.068 18511
2990 1 7 . 1 1 79 79 VAL C C 77 176.597 176.597 176.204 0.393 18511
2991 1 7 . 1 1 79 79 VAL CA C 77 61.384 61.384 61.486 -0.102 18511
2992 1 7 . 1 1 79 79 VAL CB C 77 33.846 33.846 32.409 1.437 18511
2993 1 7 . 1 1 79 79 VAL H H 77 9.408 9.408 8.287 1.121 18511
2994 1 7 . 1 1 80 80 SER N N 78 124.016 124.016 123.872 0.144 18511
2995 1 7 . 1 1 80 80 SER HA H 78 4.908 4.908 4.747 0.161 18511
2996 1 7 . 1 1 80 80 SER C C 78 172.431 172.431 173.152 -0.721 18511
2997 1 7 . 1 1 80 80 SER CA C 78 56.344 56.344 56.519 -0.174 18511
2998 1 7 . 1 1 80 80 SER CB C 78 65.164 65.164 64.932 0.232 18511
2999 1 7 . 1 1 80 80 SER H H 78 9.125 9.125 8.651 0.474 18511
3000 1 7 . 1 1 81 81 VAL N N 79 124.402 124.402 127.173 -2.771 18511
3001 1 7 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.594 -0.059 18511
3002 1 7 . 1 1 81 81 VAL C C 79 174.744 174.744 176.677 -1.933 18511
3003 1 7 . 1 1 81 81 VAL CA C 79 61.028 61.028 62.134 -1.106 18511
3004 1 7 . 1 1 81 81 VAL CB C 79 32.741 32.741 30.877 1.864 18511
3005 1 7 . 1 1 81 81 VAL H H 79 8.638 8.638 8.891 -0.253 18511
3006 1 7 . 1 1 82 82 GLU N N 80 124.145 124.145 124.408 -0.263 18511
3007 1 7 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.619 -0.058 18511
3008 1 7 . 1 1 82 82 GLU C C 80 174.839 174.839 175.944 -1.105 18511
3009 1 7 . 1 1 82 82 GLU CA C 80 54.664 54.664 55.847 -1.183 18511
3010 1 7 . 1 1 82 82 GLU CB C 80 32.237 32.237 31.092 1.145 18511
3011 1 7 . 1 1 82 82 GLU H H 80 8.281 8.281 8.415 -0.134 18511
3012 1 7 . 1 1 83 83 GLU N N 81 123.244 123.244 122.295 0.949 18511
3013 1 7 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.784 -0.345 18511
3014 1 7 . 1 1 83 83 GLU C C 81 173.841 173.841 174.407 -0.566 18511
3015 1 7 . 1 1 83 83 GLU CA C 81 54.611 54.611 53.419 1.192 18511
3016 1 7 . 1 1 83 83 GLU CB C 81 29.046 29.046 30.661 -1.615 18511
3017 1 7 . 1 1 83 83 GLU H H 81 8.656 8.656 8.042 0.614 18511
3018 1 8 . 1 1 4 4 THR N N 2 121.282 121.282 118.754 2.528 18511
3019 1 8 . 1 1 4 4 THR HA H 2 4.463 4.463 4.130 0.333 18511
3020 1 8 . 1 1 4 4 THR C C 2 173.255 173.255 174.148 -0.893 18511
3021 1 8 . 1 1 4 4 THR CA C 2 62.056 62.056 62.340 -0.284 18511
3022 1 8 . 1 1 4 4 THR CB C 2 70.955 70.955 67.159 3.796 18511
3023 1 8 . 1 1 4 4 THR H H 2 8.319 8.319 8.483 -0.164 18511
3024 1 8 . 1 1 5 5 ARG N N 3 127.535 127.535 126.515 1.020 18511
3025 1 8 . 1 1 5 5 ARG HA H 3 5.083 5.083 4.724 0.359 18511
3026 1 8 . 1 1 5 5 ARG C C 3 175.694 175.694 175.844 -0.150 18511
3027 1 8 . 1 1 5 5 ARG CA C 3 55.236 55.236 55.852 -0.616 18511
3028 1 8 . 1 1 5 5 ARG CB C 3 30.776 30.776 31.456 -0.680 18511
3029 1 8 . 1 1 5 5 ARG H H 3 8.958 8.958 8.006 0.952 18511
3030 1 8 . 1 1 6 6 VAL N N 4 125.495 125.495 124.678 0.817 18511
3031 1 8 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.395 -0.063 18511
3032 1 8 . 1 1 6 6 VAL C C 4 173.365 173.365 174.388 -1.023 18511
3033 1 8 . 1 1 6 6 VAL CA C 4 61.473 61.473 60.752 0.721 18511
3034 1 8 . 1 1 6 6 VAL CB C 4 35.854 35.854 35.616 0.238 18511
3035 1 8 . 1 1 6 6 VAL H H 4 8.812 8.812 8.664 0.148 18511
3036 1 8 . 1 1 7 7 ARG N N 5 127.554 127.554 127.491 0.063 18511
3037 1 8 . 1 1 7 7 ARG HA H 5 5.175 5.175 4.846 0.329 18511
3038 1 8 . 1 1 7 7 ARG C C 5 175.694 175.694 175.305 0.389 18511
3039 1 8 . 1 1 7 7 ARG CA C 5 54.373 54.373 55.226 -0.853 18511
3040 1 8 . 1 1 7 7 ARG CB C 5 31.679 31.679 31.911 -0.232 18511
3041 1 8 . 1 1 7 7 ARG H H 5 8.712 8.712 8.701 0.011 18511
3042 1 8 . 1 1 8 8 SER N N 6 120.281 120.281 120.672 -0.391 18511
3043 1 8 . 1 1 8 8 SER HA H 6 4.762 4.762 4.755 0.007 18511
3044 1 8 . 1 1 8 8 SER C C 6 173.555 173.555 172.616 0.939 18511
3045 1 8 . 1 1 8 8 SER CA C 6 56.428 56.428 56.488 -0.060 18511
3046 1 8 . 1 1 8 8 SER CB C 6 65.450 65.450 65.009 0.441 18511
3047 1 8 . 1 1 8 8 SER H H 6 8.669 8.669 8.736 -0.067 18511
3048 1 8 . 1 1 9 9 THR N N 7 117.885 117.885 113.561 4.324 18511
3049 1 8 . 1 1 9 9 THR HA H 7 4.847 4.847 5.250 -0.403 18511
3050 1 8 . 1 1 9 9 THR C C 7 172.748 172.748 173.160 -0.412 18511
3051 1 8 . 1 1 9 9 THR CA C 7 59.436 59.436 58.576 0.860 18511
3052 1 8 . 1 1 9 9 THR CB C 7 69.938 69.938 70.661 -0.723 18511
3053 1 8 . 1 1 9 9 THR H H 7 8.362 8.362 8.407 -0.045 18511
3054 1 8 . 1 1 10 10 PRO HA H 8 4.060 4.060 4.362 -0.302 18511
3055 1 8 . 1 1 10 10 PRO C C 8 177.966 177.966 176.856 1.110 18511
3056 1 8 . 1 1 10 10 PRO CA C 8 63.484 63.484 63.189 0.295 18511
3057 1 8 . 1 1 10 10 PRO CB C 8 30.986 30.986 30.106 0.880 18511
3058 1 8 . 1 1 11 11 GLY N N 9 114.800 114.800 113.828 0.972 18511
3059 1 8 . 1 1 11 11 GLY C C 9 174.870 174.870 174.311 0.559 18511
3060 1 8 . 1 1 11 11 GLY CA C 9 45.147 45.147 44.723 0.424 18511
3061 1 8 . 1 1 11 11 GLY H H 9 9.824 9.824 8.472 1.352 18511
3062 1 8 . 1 1 12 12 GLY N N 10 109.721 109.721 110.148 -0.427 18511
3063 1 8 . 1 1 12 12 GLY C C 10 171.924 171.924 172.529 -0.605 18511
3064 1 8 . 1 1 12 12 GLY CA C 10 43.913 43.913 44.242 -0.329 18511
3065 1 8 . 1 1 12 12 GLY H H 10 8.172 8.172 7.617 0.555 18511
3066 1 8 . 1 1 13 13 ASP N N 11 119.275 119.275 118.138 1.137 18511
3067 1 8 . 1 1 13 13 ASP HA H 11 5.316 5.316 5.048 0.268 18511
3068 1 8 . 1 1 13 13 ASP C C 11 176.185 176.185 174.726 1.459 18511
3069 1 8 . 1 1 13 13 ASP CA C 11 53.404 53.404 52.909 0.495 18511
3070 1 8 . 1 1 13 13 ASP CB C 11 41.309 41.309 44.052 -2.743 18511
3071 1 8 . 1 1 13 13 ASP H H 11 8.442 8.442 7.978 0.464 18511
3072 1 8 . 1 1 14 14 LEU N N 12 125.431 125.431 120.712 4.719 18511
3073 1 8 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.507 -0.081 18511
3074 1 8 . 1 1 14 14 LEU C C 12 174.934 174.934 175.560 -0.626 18511
3075 1 8 . 1 1 14 14 LEU CA C 12 53.697 53.697 54.186 -0.489 18511
3076 1 8 . 1 1 14 14 LEU CB C 12 44.170 44.170 44.471 -0.301 18511
3077 1 8 . 1 1 14 14 LEU H H 12 8.889 8.889 8.091 0.798 18511
3078 1 8 . 1 1 15 15 GLU N N 13 126.203 126.203 125.061 1.142 18511
3079 1 8 . 1 1 15 15 GLU HA H 13 4.901 4.901 4.546 0.355 18511
3080 1 8 . 1 1 15 15 GLU C C 13 173.555 173.555 174.881 -1.326 18511
3081 1 8 . 1 1 15 15 GLU CA C 13 55.168 55.168 55.622 -0.454 18511
3082 1 8 . 1 1 15 15 GLU CB C 13 32.489 32.489 31.674 0.815 18511
3083 1 8 . 1 1 15 15 GLU H H 13 8.469 8.469 8.399 0.070 18511
3084 1 8 . 1 1 16 16 LEU N N 14 127.480 127.480 129.720 -2.240 18511
3085 1 8 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.675 -0.453 18511
3086 1 8 . 1 1 16 16 LEU C C 14 174.221 174.221 175.358 -1.137 18511
3087 1 8 . 1 1 16 16 LEU CA C 14 52.900 52.900 53.865 -0.965 18511
3088 1 8 . 1 1 16 16 LEU CB C 14 40.861 40.861 42.659 -1.798 18511
3089 1 8 . 1 1 16 16 LEU H H 14 9.082 9.082 8.753 0.329 18511
3090 1 8 . 1 1 17 17 VAL N N 15 122.038 122.038 125.862 -3.824 18511
3091 1 8 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.489 0.272 18511
3092 1 8 . 1 1 17 17 VAL C C 15 175.330 175.330 175.780 -0.450 18511
3093 1 8 . 1 1 17 17 VAL CA C 15 61.468 61.468 61.688 -0.220 18511
3094 1 8 . 1 1 17 17 VAL CB C 15 33.749 33.749 32.302 1.447 18511
3095 1 8 . 1 1 17 17 VAL H H 15 8.105 8.105 8.471 -0.366 18511
3096 1 8 . 1 1 18 18 VAL N N 16 127.741 127.741 127.565 0.176 18511
3097 1 8 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.529 -0.244 18511
3098 1 8 . 1 1 18 18 VAL C C 16 173.555 173.555 175.308 -1.753 18511
3099 1 8 . 1 1 18 18 VAL CA C 16 61.020 61.020 61.332 -0.312 18511
3100 1 8 . 1 1 18 18 VAL CB C 16 35.604 35.604 33.480 2.123 18511
3101 1 8 . 1 1 18 18 VAL H H 16 9.335 9.335 8.621 0.714 18511
3102 1 8 . 1 1 19 19 HIS N N 17 126.695 126.695 122.951 3.744 18511
3103 1 8 . 1 1 19 19 HIS HA H 17 5.023 5.023 4.901 0.122 18511
3104 1 8 . 1 1 19 19 HIS C C 17 175.710 175.710 175.237 0.473 18511
3105 1 8 . 1 1 19 19 HIS CA C 17 55.225 55.225 54.710 0.515 18511
3106 1 8 . 1 1 19 19 HIS CB C 17 30.418 30.418 29.617 0.801 18511
3107 1 8 . 1 1 19 19 HIS H H 17 8.710 8.710 8.753 -0.043 18511
3108 1 8 . 1 1 20 20 LEU N N 18 124.981 124.981 119.526 5.455 18511
3109 1 8 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.364 -0.053 18511
3110 1 8 . 1 1 20 20 LEU C C 18 177.357 177.357 177.453 -0.096 18511
3111 1 8 . 1 1 20 20 LEU CA C 18 54.162 54.162 55.302 -1.140 18511
3112 1 8 . 1 1 20 20 LEU CB C 18 43.005 43.005 41.764 1.242 18511
3113 1 8 . 1 1 20 20 LEU H H 18 8.941 8.941 7.978 0.963 18511
3114 1 8 . 1 1 21 21 SER N N 19 116.428 116.428 117.958 -1.530 18511
3115 1 8 . 1 1 21 21 SER HA H 19 4.280 4.280 4.570 -0.290 18511
3116 1 8 . 1 1 21 21 SER C C 19 174.348 174.348 174.315 0.033 18511
3117 1 8 . 1 1 21 21 SER CA C 19 59.696 59.696 58.536 1.160 18511
3118 1 8 . 1 1 21 21 SER CB C 19 63.364 63.364 62.213 1.151 18511
3119 1 8 . 1 1 21 21 SER H H 19 9.513 9.513 8.767 0.746 18511
3120 1 8 . 1 1 22 22 GLY N N 20 107.975 107.975 110.040 -2.065 18511
3121 1 8 . 1 1 22 22 GLY C C 20 171.306 171.306 172.348 -1.042 18511
3122 1 8 . 1 1 22 22 GLY CA C 20 44.193 44.193 43.247 0.946 18511
3123 1 8 . 1 1 22 22 GLY H H 20 7.532 7.532 7.459 0.073 18511
3124 1 8 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.317 0.046 18511
3125 1 8 . 1 1 23 23 PRO C C 21 177.141 177.141 177.168 -0.027 18511
3126 1 8 . 1 1 23 23 PRO CA C 21 63.096 63.096 63.191 -0.095 18511
3127 1 8 . 1 1 23 23 PRO CB C 21 32.105 32.105 30.723 1.382 18511
3128 1 8 . 1 1 24 24 GLY N N 22 107.827 107.827 114.942 -7.115 18511
3129 1 8 . 1 1 24 24 GLY C C 22 173.270 173.270 173.862 -0.592 18511
3130 1 8 . 1 1 24 24 GLY CA C 22 45.013 45.013 45.701 -0.688 18511
3131 1 8 . 1 1 24 24 GLY H H 22 8.264 8.264 8.390 -0.126 18511
3132 1 8 . 1 1 25 25 GLY N N 23 108.700 108.700 108.241 0.459 18511
3133 1 8 . 1 1 25 25 GLY C C 23 170.292 170.292 171.677 -1.385 18511
3134 1 8 . 1 1 25 25 GLY CA C 23 43.573 43.573 44.839 -1.266 18511
3135 1 8 . 1 1 25 25 GLY H H 23 7.797 7.797 7.576 0.221 18511
3136 1 8 . 1 1 26 26 PRO HA H 24 4.574 4.574 4.531 0.043 18511
3137 1 8 . 1 1 26 26 PRO C C 24 175.331 175.331 175.576 -0.245 18511
3138 1 8 . 1 1 26 26 PRO CA C 24 62.105 62.105 62.844 -0.739 18511
3139 1 8 . 1 1 26 26 PRO CB C 24 34.842 34.842 32.278 2.564 18511
3140 1 8 . 1 1 27 27 VAL N N 25 121.565 121.565 124.169 -2.604 18511
3141 1 8 . 1 1 27 27 VAL HA H 25 4.662 4.662 4.184 0.478 18511
3142 1 8 . 1 1 27 27 VAL C C 25 175.742 175.742 176.217 -0.475 18511
3143 1 8 . 1 1 27 27 VAL CA C 25 61.384 61.384 62.291 -0.907 18511
3144 1 8 . 1 1 27 27 VAL CB C 25 32.971 32.971 31.572 1.399 18511
3145 1 8 . 1 1 27 27 VAL H H 25 8.579 8.579 8.387 0.192 18511
3146 1 8 . 1 1 28 28 ARG N N 26 127.876 127.876 127.447 0.429 18511
3147 1 8 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.485 0.097 18511
3148 1 8 . 1 1 28 28 ARG C C 26 173.144 173.144 174.737 -1.593 18511
3149 1 8 . 1 1 28 28 ARG CA C 26 54.861 54.861 54.833 0.028 18511
3150 1 8 . 1 1 28 28 ARG CB C 26 34.589 34.589 32.357 2.232 18511
3151 1 8 . 1 1 28 28 ARG H H 26 8.856 8.856 8.625 0.231 18511
3152 1 8 . 1 1 29 29 TRP N N 27 121.571 121.571 119.403 2.168 18511
3153 1 8 . 1 1 29 29 TRP HA H 27 5.986 5.986 5.122 0.864 18511
3154 1 8 . 1 1 29 29 TRP C C 27 175.932 175.932 175.502 0.430 18511
3155 1 8 . 1 1 29 29 TRP CA C 27 55.504 55.504 56.188 -0.684 18511
3156 1 8 . 1 1 29 29 TRP CB C 27 32.584 32.584 32.465 0.119 18511
3157 1 8 . 1 1 29 29 TRP H H 27 8.858 8.858 8.399 0.459 18511
3158 1 8 . 1 1 30 30 TYR N N 28 118.451 118.451 122.902 -4.451 18511
3159 1 8 . 1 1 30 30 TYR HA H 28 5.332 5.332 5.132 0.200 18511
3160 1 8 . 1 1 30 30 TYR C C 28 175.108 175.108 174.356 0.752 18511
3161 1 8 . 1 1 30 30 TYR CA C 28 55.924 55.924 56.526 -0.602 18511
3162 1 8 . 1 1 30 30 TYR CB C 28 43.194 43.194 42.714 0.480 18511
3163 1 8 . 1 1 30 30 TYR H H 28 9.605 9.605 8.851 0.754 18511
3164 1 8 . 1 1 31 31 LYS N N 29 120.638 120.638 119.810 0.828 18511
3165 1 8 . 1 1 31 31 LYS HA H 29 4.790 4.790 4.781 0.009 18511
3166 1 8 . 1 1 31 31 LYS C C 29 176.565 176.565 176.279 0.286 18511
3167 1 8 . 1 1 31 31 LYS CA C 29 54.496 54.496 55.087 -0.591 18511
3168 1 8 . 1 1 31 31 LYS CB C 29 35.345 35.345 34.755 0.591 18511
3169 1 8 . 1 1 31 31 LYS H H 29 9.055 9.055 8.574 0.481 18511
3170 1 8 . 1 1 32 32 ASP N N 30 131.009 131.009 128.138 2.871 18511
3171 1 8 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.385 0.061 18511
3172 1 8 . 1 1 32 32 ASP C C 30 176.344 176.344 176.152 0.192 18511
3173 1 8 . 1 1 32 32 ASP CA C 30 55.846 55.846 55.424 0.422 18511
3174 1 8 . 1 1 32 32 ASP CB C 30 40.289 40.289 40.176 0.113 18511
3175 1 8 . 1 1 32 32 ASP H H 30 10.006 10.006 8.775 1.231 18511
3176 1 8 . 1 1 33 33 GLY N N 31 102.658 102.658 104.317 -1.659 18511
3177 1 8 . 1 1 33 33 GLY C C 31 173.809 173.809 173.431 0.378 18511
3178 1 8 . 1 1 33 33 GLY CA C 31 45.127 45.127 44.942 0.185 18511
3179 1 8 . 1 1 33 33 GLY H H 31 8.903 8.903 8.613 0.290 18511
3180 1 8 . 1 1 34 34 GLU N N 32 121.796 121.796 121.542 0.254 18511
3181 1 8 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.886 -0.144 18511
3182 1 8 . 1 1 34 34 GLU C C 32 175.789 175.789 175.660 0.129 18511
3183 1 8 . 1 1 34 34 GLU CA C 32 54.496 54.496 54.530 -0.034 18511
3184 1 8 . 1 1 34 34 GLU CB C 32 31.161 31.161 32.142 -0.981 18511
3185 1 8 . 1 1 34 34 GLU H H 32 8.152 8.152 8.052 0.100 18511
3186 1 8 . 1 1 35 35 ARG N N 33 126.589 126.589 124.834 1.755 18511
3187 1 8 . 1 1 35 35 ARG HA H 33 3.927 3.927 4.266 -0.339 18511
3188 1 8 . 1 1 35 35 ARG C C 33 176.296 176.296 175.309 0.987 18511
3189 1 8 . 1 1 35 35 ARG CA C 33 56.344 56.344 56.523 -0.179 18511
3190 1 8 . 1 1 35 35 ARG CB C 33 29.803 29.803 30.134 -0.331 18511
3191 1 8 . 1 1 35 35 ARG H H 33 8.928 8.928 8.686 0.242 18511
3192 1 8 . 1 1 36 36 LEU N N 34 127.490 127.490 122.880 4.610 18511
3193 1 8 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.519 0.078 18511
3194 1 8 . 1 1 36 36 LEU C C 34 175.361 175.361 176.052 -0.691 18511
3195 1 8 . 1 1 36 36 LEU CA C 34 53.656 53.656 54.269 -0.613 18511
3196 1 8 . 1 1 36 36 LEU CB C 34 44.501 44.501 43.212 1.289 18511
3197 1 8 . 1 1 36 36 LEU H H 34 8.668 8.668 7.887 0.781 18511
3198 1 8 . 1 1 37 37 ALA N N 35 124.016 124.016 123.653 0.363 18511
3199 1 8 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.474 0.075 18511
3200 1 8 . 1 1 37 37 ALA C C 35 175.757 175.757 176.144 -0.387 18511
3201 1 8 . 1 1 37 37 ALA CA C 35 50.039 50.039 50.553 -0.514 18511
3202 1 8 . 1 1 37 37 ALA CB C 35 21.822 21.822 21.027 0.795 18511
3203 1 8 . 1 1 37 37 ALA H H 35 8.177 8.177 7.945 0.232 18511
3204 1 8 . 1 1 38 38 SER N N 36 114.574 114.574 116.221 -1.647 18511
3205 1 8 . 1 1 38 38 SER HA H 36 4.440 4.440 4.353 0.087 18511
3206 1 8 . 1 1 38 38 SER C C 36 174.005 174.005 174.247 -0.242 18511
3207 1 8 . 1 1 38 38 SER CA C 36 57.610 57.610 59.333 -1.723 18511
3208 1 8 . 1 1 38 38 SER CB C 36 62.056 62.056 63.124 -1.068 18511
3209 1 8 . 1 1 38 38 SER H H 36 8.444 8.444 8.381 0.063 18511
3210 1 8 . 1 1 39 39 GLN N N 37 126.057 126.057 129.084 -3.027 18511
3211 1 8 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.538 -0.086 18511
3212 1 8 . 1 1 39 39 GLN C C 37 175.599 175.599 175.958 -0.359 18511
3213 1 8 . 1 1 39 39 GLN CA C 37 55.433 55.433 55.017 0.416 18511
3214 1 8 . 1 1 39 39 GLN CB C 37 29.970 29.970 29.276 0.694 18511
3215 1 8 . 1 1 39 39 GLN H H 37 8.477 8.477 8.160 0.317 18511
3216 1 8 . 1 1 41 41 ARG HA H 39 4.228 4.228 4.150 0.078 18511
3217 1 8 . 1 1 41 41 ARG C C 39 174.776 174.776 177.115 -2.339 18511
3218 1 8 . 1 1 41 41 ARG CA C 39 57.143 57.143 57.808 -0.665 18511
3219 1 8 . 1 1 41 41 ARG CB C 39 30.504 30.504 30.813 -0.309 18511
3220 1 8 . 1 1 42 42 VAL N N 40 119.931 119.931 121.207 -1.276 18511
3221 1 8 . 1 1 42 42 VAL HA H 40 4.602 4.602 4.333 0.269 18511
3222 1 8 . 1 1 42 42 VAL C C 40 174.854 174.854 174.895 -0.041 18511
3223 1 8 . 1 1 42 42 VAL CA C 40 61.663 61.663 62.599 -0.936 18511
3224 1 8 . 1 1 42 42 VAL CB C 40 32.800 32.800 31.046 1.754 18511
3225 1 8 . 1 1 42 42 VAL H H 40 7.662 7.662 7.581 0.081 18511
3226 1 8 . 1 1 43 43 GLN N N 41 125.689 125.689 127.774 -2.085 18511
3227 1 8 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.600 -0.069 18511
3228 1 8 . 1 1 43 43 GLN C C 41 173.952 173.952 174.462 -0.510 18511
3229 1 8 . 1 1 43 43 GLN CA C 41 53.656 53.656 54.148 -0.492 18511
3230 1 8 . 1 1 43 43 GLN CB C 41 31.817 31.817 30.653 1.164 18511
3231 1 8 . 1 1 43 43 GLN H H 41 8.937 8.937 8.650 0.287 18511
3232 1 8 . 1 1 44 44 LEU N N 42 123.562 123.562 126.245 -2.683 18511
3233 1 8 . 1 1 44 44 LEU HA H 42 4.984 4.984 5.187 -0.203 18511
3234 1 8 . 1 1 44 44 LEU C C 42 176.565 176.565 176.842 -0.277 18511
3235 1 8 . 1 1 44 44 LEU CA C 42 52.931 52.931 53.335 -0.404 18511
3236 1 8 . 1 1 44 44 LEU CB C 42 42.474 42.474 43.913 -1.439 18511
3237 1 8 . 1 1 44 44 LEU H H 42 8.231 8.231 8.359 -0.128 18511
3238 1 8 . 1 1 45 45 GLU N N 43 124.016 124.016 124.619 -0.603 18511
3239 1 8 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.679 -0.023 18511
3240 1 8 . 1 1 45 45 GLU C C 43 175.346 175.346 174.614 0.732 18511
3241 1 8 . 1 1 45 45 GLU CA C 43 54.723 54.723 55.051 -0.328 18511
3242 1 8 . 1 1 45 45 GLU CB C 43 32.841 32.841 31.980 0.861 18511
3243 1 8 . 1 1 45 45 GLU H H 43 9.309 9.309 8.595 0.714 18511
3244 1 8 . 1 1 46 46 GLN N N 44 125.220 125.220 124.777 0.443 18511
3245 1 8 . 1 1 46 46 GLN HA H 44 4.928 4.928 4.678 0.250 18511
3246 1 8 . 1 1 46 46 GLN C C 44 174.332 174.332 175.218 -0.886 18511
3247 1 8 . 1 1 46 46 GLN CA C 44 54.832 54.832 54.785 0.047 18511
3248 1 8 . 1 1 46 46 GLN CB C 44 30.726 30.726 28.700 2.026 18511
3249 1 8 . 1 1 46 46 GLN H H 44 8.825 8.825 8.675 0.150 18511
3250 1 8 . 1 1 47 47 ALA N N 45 129.999 129.999 129.055 0.944 18511
3251 1 8 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.722 -0.050 18511
3252 1 8 . 1 1 47 47 ALA C C 45 177.056 177.056 176.881 0.175 18511
3253 1 8 . 1 1 47 47 ALA CA C 45 50.716 50.716 51.081 -0.365 18511
3254 1 8 . 1 1 47 47 ALA CB C 45 18.798 18.798 19.208 -0.410 18511
3255 1 8 . 1 1 47 47 ALA H H 45 8.636 8.636 8.447 0.189 18511
3256 1 8 . 1 1 48 48 GLY CA C 46 46.885 46.885 46.366 0.519 18511
3257 1 8 . 1 1 49 49 ALA HA H 47 4.183 4.183 4.222 -0.039 18511
3258 1 8 . 1 1 49 49 ALA C C 47 176.586 176.586 177.646 -1.060 18511
3259 1 8 . 1 1 49 49 ALA CA C 47 53.068 53.068 52.406 0.662 18511
3260 1 8 . 1 1 49 49 ALA CB C 47 18.714 18.714 19.491 -0.777 18511
3261 1 8 . 1 1 50 50 ARG N N 48 119.282 119.282 122.571 -3.289 18511
3262 1 8 . 1 1 50 50 ARG HA H 48 4.635 4.635 4.514 0.121 18511
3263 1 8 . 1 1 50 50 ARG C C 48 174.348 174.348 175.067 -0.719 18511
3264 1 8 . 1 1 50 50 ARG CA C 48 55.672 55.672 55.548 0.124 18511
3265 1 8 . 1 1 50 50 ARG CB C 48 31.413 31.413 29.487 1.926 18511
3266 1 8 . 1 1 50 50 ARG H H 48 7.725 7.725 7.582 0.143 18511
3267 1 8 . 1 1 51 51 GLN N N 49 125.499 125.499 124.624 0.875 18511
3268 1 8 . 1 1 51 51 GLN HA H 49 4.961 4.961 5.279 -0.318 18511
3269 1 8 . 1 1 51 51 GLN C C 49 174.427 174.427 174.938 -0.511 18511
3270 1 8 . 1 1 51 51 GLN CA C 49 53.404 53.404 54.258 -0.854 18511
3271 1 8 . 1 1 51 51 GLN CB C 49 30.133 30.133 31.968 -1.835 18511
3272 1 8 . 1 1 51 51 GLN H H 49 9.086 9.086 7.914 1.172 18511
3273 1 8 . 1 1 52 52 VAL N N 50 121.957 121.957 123.312 -1.355 18511
3274 1 8 . 1 1 52 52 VAL HA H 50 5.185 5.185 5.286 -0.101 18511
3275 1 8 . 1 1 52 52 VAL C C 50 173.714 173.714 174.053 -0.339 18511
3276 1 8 . 1 1 52 52 VAL CA C 50 60.314 60.314 60.368 -0.054 18511
3277 1 8 . 1 1 52 52 VAL CB C 50 36.154 36.154 34.766 1.388 18511
3278 1 8 . 1 1 52 52 VAL H H 50 8.687 8.687 8.706 -0.019 18511
3279 1 8 . 1 1 53 53 LEU N N 51 129.580 129.580 128.879 0.701 18511
3280 1 8 . 1 1 53 53 LEU HA H 51 4.389 4.389 4.749 -0.360 18511
3281 1 8 . 1 1 53 53 LEU C C 51 174.427 174.427 174.240 0.187 18511
3282 1 8 . 1 1 53 53 LEU CA C 51 53.536 53.536 52.430 1.106 18511
3283 1 8 . 1 1 53 53 LEU CB C 51 42.056 42.056 43.577 -1.521 18511
3284 1 8 . 1 1 53 53 LEU H H 51 8.380 8.380 7.870 0.510 18511
3285 1 8 . 1 1 54 54 ARG N N 52 125.706 125.706 126.613 -0.907 18511
3286 1 8 . 1 1 54 54 ARG HA H 52 5.255 5.255 4.709 0.546 18511
3287 1 8 . 1 1 54 54 ARG C C 52 174.981 174.981 174.345 0.636 18511
3288 1 8 . 1 1 54 54 ARG CA C 52 53.992 53.992 54.292 -0.300 18511
3289 1 8 . 1 1 54 54 ARG CB C 52 33.497 33.497 33.414 0.083 18511
3290 1 8 . 1 1 54 54 ARG H H 52 8.956 8.956 8.392 0.564 18511
3291 1 8 . 1 1 55 55 VAL N N 53 123.212 123.212 124.334 -1.122 18511
3292 1 8 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.349 0.270 18511
3293 1 8 . 1 1 55 55 VAL C C 53 175.124 175.124 175.145 -0.021 18511
3294 1 8 . 1 1 55 55 VAL CA C 53 61.092 61.092 61.232 -0.140 18511
3295 1 8 . 1 1 55 55 VAL CB C 53 34.527 34.527 32.151 2.377 18511
3296 1 8 . 1 1 55 55 VAL H H 53 8.511 8.511 8.596 -0.085 18511
3297 1 8 . 1 1 56 56 GLN N N 54 126.653 126.653 128.897 -2.244 18511
3298 1 8 . 1 1 56 56 GLN HA H 54 4.518 4.518 4.269 0.249 18511
3299 1 8 . 1 1 56 56 GLN C C 54 176.296 176.296 176.175 0.121 18511
3300 1 8 . 1 1 56 56 GLN CA C 54 55.022 55.022 56.097 -1.075 18511
3301 1 8 . 1 1 56 56 GLN CB C 54 29.749 29.749 28.795 0.954 18511
3302 1 8 . 1 1 56 56 GLN H H 54 8.509 8.509 8.224 0.285 18511
3303 1 8 . 1 1 57 57 GLY N N 55 114.559 114.559 114.045 0.514 18511
3304 1 8 . 1 1 57 57 GLY C C 55 174.585 174.585 173.543 1.042 18511
3305 1 8 . 1 1 57 57 GLY CA C 55 47.319 47.319 44.800 2.519 18511
3306 1 8 . 1 1 57 57 GLY H H 55 8.420 8.420 8.103 0.317 18511
3307 1 8 . 1 1 58 58 ALA N N 56 122.793 122.793 121.889 0.904 18511
3308 1 8 . 1 1 58 58 ALA HA H 56 4.088 4.088 4.387 -0.299 18511
3309 1 8 . 1 1 58 58 ALA C C 56 177.120 177.120 176.086 1.034 18511
3310 1 8 . 1 1 58 58 ALA CA C 56 53.051 53.051 51.991 1.060 18511
3311 1 8 . 1 1 58 58 ALA CB C 56 18.051 18.051 20.565 -2.514 18511
3312 1 8 . 1 1 58 58 ALA H H 56 8.977 8.977 7.732 1.245 18511
3313 1 8 . 1 1 59 59 ARG N N 57 122.118 122.118 118.832 3.286 18511
3314 1 8 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.401 0.350 18511
3315 1 8 . 1 1 59 59 ARG C C 57 177.231 177.231 175.282 1.949 18511
3316 1 8 . 1 1 59 59 ARG CA C 57 53.236 53.236 58.106 -4.870 18511
3317 1 8 . 1 1 59 59 ARG CB C 57 33.526 33.526 31.190 2.336 18511
3318 1 8 . 1 1 59 59 ARG H H 57 9.709 9.709 8.851 0.858 18511
3319 1 8 . 1 1 61 61 GLY C C 59 174.202 174.202 175.786 -1.584 18511
3320 1 8 . 1 1 61 61 GLY CA C 59 45.899 45.899 46.555 -0.656 18511
3321 1 8 . 1 1 62 62 ASP N N 60 116.489 116.489 122.154 -5.665 18511
3322 1 8 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.606 0.065 18511
3323 1 8 . 1 1 62 62 ASP C C 60 176.692 176.692 176.616 0.076 18511
3324 1 8 . 1 1 62 62 ASP CA C 60 54.854 54.854 55.218 -0.364 18511
3325 1 8 . 1 1 62 62 ASP CB C 60 41.130 41.130 41.225 -0.095 18511
3326 1 8 . 1 1 62 62 ASP H H 60 8.300 8.300 8.416 -0.116 18511
3327 1 8 . 1 1 63 63 ALA N N 61 122.793 122.793 122.505 0.288 18511
3328 1 8 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.554 -0.449 18511
3329 1 8 . 1 1 63 63 ALA C C 61 176.581 176.581 176.913 -0.332 18511
3330 1 8 . 1 1 63 63 ALA CA C 61 52.732 52.732 52.813 -0.081 18511
3331 1 8 . 1 1 63 63 ALA CB C 61 19.806 19.806 18.214 1.592 18511
3332 1 8 . 1 1 63 63 ALA H H 61 7.551 7.551 7.451 0.100 18511
3333 1 8 . 1 1 64 64 GLY N N 62 108.029 108.029 112.306 -4.277 18511
3334 1 8 . 1 1 64 64 GLY C C 62 171.274 171.274 172.176 -0.902 18511
3335 1 8 . 1 1 64 64 GLY CA C 62 44.826 44.826 44.947 -0.121 18511
3336 1 8 . 1 1 64 64 GLY H H 62 8.720 8.720 8.102 0.618 18511
3337 1 8 . 1 1 65 65 GLU N N 63 122.343 122.343 120.314 2.029 18511
3338 1 8 . 1 1 65 65 GLU HA H 63 5.134 5.134 4.976 0.158 18511
3339 1 8 . 1 1 65 65 GLU C C 63 175.900 175.900 175.811 0.089 18511
3340 1 8 . 1 1 65 65 GLU CA C 63 55.309 55.309 55.921 -0.612 18511
3341 1 8 . 1 1 65 65 GLU CB C 63 31.183 31.183 29.536 1.647 18511
3342 1 8 . 1 1 65 65 GLU H H 63 9.038 9.038 8.595 0.443 18511
3343 1 8 . 1 1 66 66 TYR N N 64 128.776 128.776 125.447 3.329 18511
3344 1 8 . 1 1 66 66 TYR HA H 64 5.769 5.769 5.231 0.538 18511
3345 1 8 . 1 1 66 66 TYR C C 64 174.157 174.157 175.582 -1.425 18511
3346 1 8 . 1 1 66 66 TYR CA C 64 56.596 56.596 57.200 -0.605 18511
3347 1 8 . 1 1 66 66 TYR CB C 64 40.857 40.857 39.454 1.403 18511
3348 1 8 . 1 1 66 66 TYR H H 64 9.984 9.984 9.410 0.574 18511
3349 1 8 . 1 1 67 67 LEU N N 65 125.560 125.560 127.167 -1.607 18511
3350 1 8 . 1 1 67 67 LEU HA H 65 5.360 5.360 4.996 0.364 18511
3351 1 8 . 1 1 67 67 LEU C C 65 174.617 174.617 176.464 -1.847 18511
3352 1 8 . 1 1 67 67 LEU CA C 65 53.294 53.294 54.230 -0.937 18511
3353 1 8 . 1 1 67 67 LEU CB C 65 46.296 46.296 42.630 3.666 18511
3354 1 8 . 1 1 67 67 LEU H H 65 9.385 9.385 8.878 0.507 18511
3355 1 8 . 1 1 68 68 CYS N N 66 127.135 127.135 128.873 -1.738 18511
3356 1 8 . 1 1 68 68 CYS HA H 66 3.994 3.994 4.123 -0.129 18511
3357 1 8 . 1 1 68 68 CYS C C 66 172.383 172.383 173.617 -1.234 18511
3358 1 8 . 1 1 68 68 CYS CA C 66 57.828 57.828 56.845 0.983 18511
3359 1 8 . 1 1 68 68 CYS CB C 66 26.535 26.535 26.283 0.252 18511
3360 1 8 . 1 1 68 68 CYS H H 66 9.102 9.102 8.707 0.395 18511
3361 1 8 . 1 1 69 69 ASP N N 67 129.420 129.420 128.179 1.241 18511
3362 1 8 . 1 1 69 69 ASP HA H 67 4.953 4.953 4.670 0.283 18511
3363 1 8 . 1 1 69 69 ASP C C 67 173.128 173.128 174.255 -1.127 18511
3364 1 8 . 1 1 69 69 ASP CA C 67 53.459 53.459 54.501 -1.042 18511
3365 1 8 . 1 1 69 69 ASP CB C 67 44.249 44.249 42.769 1.480 18511
3366 1 8 . 1 1 69 69 ASP H H 67 9.296 9.296 7.825 1.471 18511
3367 1 8 . 1 1 70 70 ALA N N 68 129.162 129.162 128.066 1.096 18511
3368 1 8 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.849 0.205 18511
3369 1 8 . 1 1 70 70 ALA C C 68 175.108 175.108 175.686 -0.578 18511
3370 1 8 . 1 1 70 70 ALA CA C 68 49.404 49.404 49.480 -0.076 18511
3371 1 8 . 1 1 70 70 ALA CB C 68 21.402 21.402 20.835 0.567 18511
3372 1 8 . 1 1 70 70 ALA H H 68 8.179 8.179 8.048 0.131 18511
3373 1 8 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.221 -0.056 18511
3374 1 8 . 1 1 71 71 PRO C C 69 177.840 177.840 176.588 1.252 18511
3375 1 8 . 1 1 71 71 PRO CA C 69 65.906 65.906 64.937 0.969 18511
3376 1 8 . 1 1 71 71 PRO CB C 69 31.744 31.744 32.225 -0.481 18511
3377 1 8 . 1 1 72 72 GLN N N 70 113.851 113.851 116.576 -2.725 18511
3378 1 8 . 1 1 72 72 GLN HA H 70 4.363 4.363 4.419 -0.056 18511
3379 1 8 . 1 1 72 72 GLN C C 70 174.744 174.744 174.282 0.462 18511
3380 1 8 . 1 1 72 72 GLN CA C 70 55.239 55.239 55.651 -0.412 18511
3381 1 8 . 1 1 72 72 GLN CB C 70 29.355 29.355 28.747 0.608 18511
3382 1 8 . 1 1 72 72 GLN H H 70 9.053 9.053 7.715 1.338 18511
3383 1 8 . 1 1 73 73 ASP N N 71 118.081 118.081 121.245 -3.164 18511
3384 1 8 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.670 0.154 18511
3385 1 8 . 1 1 73 73 ASP C C 71 173.017 173.017 174.506 -1.489 18511
3386 1 8 . 1 1 73 73 ASP CA C 71 53.992 53.992 54.617 -0.625 18511
3387 1 8 . 1 1 73 73 ASP CB C 71 44.449 44.449 41.981 2.468 18511
3388 1 8 . 1 1 73 73 ASP H H 71 7.336 7.336 7.895 -0.559 18511
3389 1 8 . 1 1 74 74 SER N N 72 114.356 114.356 115.641 -1.285 18511
3390 1 8 . 1 1 74 74 SER HA H 72 5.209 5.209 4.311 0.898 18511
3391 1 8 . 1 1 74 74 SER C C 72 174.189 174.189 173.279 0.910 18511
3392 1 8 . 1 1 74 74 SER CA C 72 57.604 57.604 58.853 -1.249 18511
3393 1 8 . 1 1 74 74 SER CB C 72 64.697 64.697 63.120 1.577 18511
3394 1 8 . 1 1 74 74 SER H H 72 8.161 8.161 8.350 -0.189 18511
3395 1 8 . 1 1 75 75 ARG N N 73 122.793 122.793 125.153 -2.360 18511
3396 1 8 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.595 0.101 18511
3397 1 8 . 1 1 75 75 ARG C C 73 173.460 173.460 174.559 -1.099 18511
3398 1 8 . 1 1 75 75 ARG CA C 73 53.404 53.404 54.685 -1.281 18511
3399 1 8 . 1 1 75 75 ARG CB C 73 33.600 33.600 32.944 0.656 18511
3400 1 8 . 1 1 75 75 ARG H H 73 8.592 8.592 8.377 0.215 18511
3401 1 8 . 1 1 76 76 ILE N N 74 122.343 122.343 125.243 -2.900 18511
3402 1 8 . 1 1 76 76 ILE HA H 74 5.154 5.154 4.327 0.827 18511
3403 1 8 . 1 1 76 76 ILE C C 74 175.266 175.266 175.186 0.080 18511
3404 1 8 . 1 1 76 76 ILE CA C 74 59.620 59.620 61.000 -1.380 18511
3405 1 8 . 1 1 76 76 ILE CB C 74 40.889 40.889 38.791 2.098 18511
3406 1 8 . 1 1 76 76 ILE H H 74 8.262 8.262 8.012 0.249 18511
3407 1 8 . 1 1 77 77 PHE N N 75 126.428 126.428 127.783 -1.355 18511
3408 1 8 . 1 1 77 77 PHE HA H 75 5.524 5.524 5.302 0.222 18511
3409 1 8 . 1 1 77 77 PHE C C 75 174.680 174.680 175.768 -1.088 18511
3410 1 8 . 1 1 77 77 PHE CA C 75 55.570 55.570 56.160 -0.590 18511
3411 1 8 . 1 1 77 77 PHE CB C 75 42.186 42.186 39.945 2.241 18511
3412 1 8 . 1 1 77 77 PHE H H 75 9.932 9.932 9.265 0.667 18511
3413 1 8 . 1 1 78 78 LEU N N 76 126.068 126.068 126.614 -0.546 18511
3414 1 8 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.484 0.640 18511
3415 1 8 . 1 1 78 78 LEU C C 76 176.138 176.138 175.944 0.194 18511
3416 1 8 . 1 1 78 78 LEU CA C 76 53.799 53.799 54.745 -0.946 18511
3417 1 8 . 1 1 78 78 LEU CB C 76 41.851 41.851 40.980 0.871 18511
3418 1 8 . 1 1 78 78 LEU H H 76 9.091 9.091 8.619 0.472 18511
3419 1 8 . 1 1 79 79 VAL N N 77 129.130 129.130 127.654 1.476 18511
3420 1 8 . 1 1 79 79 VAL HA H 77 5.109 5.109 5.127 -0.018 18511
3421 1 8 . 1 1 79 79 VAL C C 77 176.597 176.597 175.314 1.283 18511
3422 1 8 . 1 1 79 79 VAL CA C 77 61.384 61.384 61.530 -0.146 18511
3423 1 8 . 1 1 79 79 VAL CB C 77 33.846 33.846 33.047 0.799 18511
3424 1 8 . 1 1 79 79 VAL H H 77 9.408 9.408 8.461 0.947 18511
3425 1 8 . 1 1 80 80 SER N N 78 124.016 124.016 122.731 1.285 18511
3426 1 8 . 1 1 80 80 SER HA H 78 4.908 4.908 4.893 0.015 18511
3427 1 8 . 1 1 80 80 SER C C 78 172.431 172.431 173.984 -1.553 18511
3428 1 8 . 1 1 80 80 SER CA C 78 56.344 56.344 56.659 -0.315 18511
3429 1 8 . 1 1 80 80 SER CB C 78 65.164 65.164 64.574 0.590 18511
3430 1 8 . 1 1 80 80 SER H H 78 9.125 9.125 8.497 0.628 18511
3431 1 8 . 1 1 81 81 VAL N N 79 124.402 124.402 127.532 -3.130 18511
3432 1 8 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.170 0.365 18511
3433 1 8 . 1 1 81 81 VAL C C 79 174.744 174.744 176.382 -1.638 18511
3434 1 8 . 1 1 81 81 VAL CA C 79 61.028 61.028 63.245 -2.217 18511
3435 1 8 . 1 1 81 81 VAL CB C 79 32.741 32.741 30.901 1.840 18511
3436 1 8 . 1 1 81 81 VAL H H 79 8.638 8.638 9.010 -0.372 18511
3437 1 8 . 1 1 82 82 GLU N N 80 124.145 124.145 125.577 -1.432 18511
3438 1 8 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.495 0.066 18511
3439 1 8 . 1 1 82 82 GLU C C 80 174.839 174.839 176.377 -1.538 18511
3440 1 8 . 1 1 82 82 GLU CA C 80 54.664 54.664 55.942 -1.278 18511
3441 1 8 . 1 1 82 82 GLU CB C 80 32.237 32.237 31.039 1.198 18511
3442 1 8 . 1 1 82 82 GLU H H 80 8.281 8.281 8.471 -0.190 18511
3443 1 8 . 1 1 83 83 GLU N N 81 123.244 123.244 124.223 -0.979 18511
3444 1 8 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.547 -0.108 18511
3445 1 8 . 1 1 83 83 GLU C C 81 173.841 173.841 174.834 -0.993 18511
3446 1 8 . 1 1 83 83 GLU CA C 81 54.611 54.611 53.967 0.644 18511
3447 1 8 . 1 1 83 83 GLU CB C 81 29.046 29.046 29.323 -0.278 18511
3448 1 8 . 1 1 83 83 GLU H H 81 8.656 8.656 7.818 0.838 18511
3449 1 9 . 1 1 4 4 THR N N 2 121.282 121.282 121.471 -0.189 18511
3450 1 9 . 1 1 4 4 THR HA H 2 4.463 4.463 4.222 0.241 18511
3451 1 9 . 1 1 4 4 THR C C 2 173.255 173.255 173.744 -0.489 18511
3452 1 9 . 1 1 4 4 THR CA C 2 62.056 62.056 61.933 0.123 18511
3453 1 9 . 1 1 4 4 THR CB C 2 70.955 70.955 67.354 3.601 18511
3454 1 9 . 1 1 4 4 THR H H 2 8.319 8.319 8.338 -0.019 18511
3455 1 9 . 1 1 5 5 ARG N N 3 127.535 127.535 126.433 1.102 18511
3456 1 9 . 1 1 5 5 ARG HA H 3 5.083 5.083 4.498 0.585 18511
3457 1 9 . 1 1 5 5 ARG C C 3 175.694 175.694 175.645 0.049 18511
3458 1 9 . 1 1 5 5 ARG CA C 3 55.236 55.236 55.968 -0.732 18511
3459 1 9 . 1 1 5 5 ARG CB C 3 30.776 30.776 31.162 -0.386 18511
3460 1 9 . 1 1 5 5 ARG H H 3 8.958 8.958 7.865 1.093 18511
3461 1 9 . 1 1 6 6 VAL N N 4 125.495 125.495 123.165 2.330 18511
3462 1 9 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.408 -0.076 18511
3463 1 9 . 1 1 6 6 VAL C C 4 173.365 173.365 174.231 -0.866 18511
3464 1 9 . 1 1 6 6 VAL CA C 4 61.473 61.473 60.771 0.702 18511
3465 1 9 . 1 1 6 6 VAL CB C 4 35.854 35.854 35.570 0.284 18511
3466 1 9 . 1 1 6 6 VAL H H 4 8.812 8.812 8.131 0.681 18511
3467 1 9 . 1 1 7 7 ARG N N 5 127.554 127.554 126.068 1.486 18511
3468 1 9 . 1 1 7 7 ARG HA H 5 5.175 5.175 5.308 -0.133 18511
3469 1 9 . 1 1 7 7 ARG C C 5 175.694 175.694 174.795 0.899 18511
3470 1 9 . 1 1 7 7 ARG CA C 5 54.373 54.373 54.978 -0.605 18511
3471 1 9 . 1 1 7 7 ARG CB C 5 31.679 31.679 33.139 -1.460 18511
3472 1 9 . 1 1 7 7 ARG H H 5 8.712 8.712 8.566 0.146 18511
3473 1 9 . 1 1 8 8 SER N N 6 120.281 120.281 120.148 0.133 18511
3474 1 9 . 1 1 8 8 SER HA H 6 4.762 4.762 4.874 -0.112 18511
3475 1 9 . 1 1 8 8 SER C C 6 173.555 173.555 172.628 0.927 18511
3476 1 9 . 1 1 8 8 SER CA C 6 56.428 56.428 56.339 0.089 18511
3477 1 9 . 1 1 8 8 SER CB C 6 65.450 65.450 65.645 -0.195 18511
3478 1 9 . 1 1 8 8 SER H H 6 8.669 8.669 8.513 0.156 18511
3479 1 9 . 1 1 9 9 THR N N 7 117.885 117.885 114.352 3.533 18511
3480 1 9 . 1 1 9 9 THR HA H 7 4.847 4.847 5.142 -0.295 18511
3481 1 9 . 1 1 9 9 THR C C 7 172.748 172.748 173.814 -1.066 18511
3482 1 9 . 1 1 9 9 THR CA C 7 59.436 59.436 59.561 -0.125 18511
3483 1 9 . 1 1 9 9 THR CB C 7 69.938 69.938 69.050 0.888 18511
3484 1 9 . 1 1 9 9 THR H H 7 8.362 8.362 8.513 -0.151 18511
3485 1 9 . 1 1 10 10 PRO HA H 8 4.060 4.060 4.214 -0.154 18511
3486 1 9 . 1 1 10 10 PRO C C 8 177.966 177.966 177.334 0.632 18511
3487 1 9 . 1 1 10 10 PRO CA C 8 63.484 63.484 63.091 0.393 18511
3488 1 9 . 1 1 10 10 PRO CB C 8 30.986 30.986 31.028 -0.042 18511
3489 1 9 . 1 1 11 11 GLY N N 9 114.800 114.800 114.068 0.732 18511
3490 1 9 . 1 1 11 11 GLY C C 9 174.870 174.870 174.488 0.382 18511
3491 1 9 . 1 1 11 11 GLY CA C 9 45.147 45.147 45.032 0.115 18511
3492 1 9 . 1 1 11 11 GLY H H 9 9.824 9.824 8.749 1.075 18511
3493 1 9 . 1 1 12 12 GLY N N 10 109.721 109.721 109.577 0.144 18511
3494 1 9 . 1 1 12 12 GLY C C 10 171.924 171.924 172.689 -0.765 18511
3495 1 9 . 1 1 12 12 GLY CA C 10 43.913 43.913 43.532 0.381 18511
3496 1 9 . 1 1 12 12 GLY H H 10 8.172 8.172 7.732 0.440 18511
3497 1 9 . 1 1 13 13 ASP N N 11 119.275 119.275 118.252 1.023 18511
3498 1 9 . 1 1 13 13 ASP HA H 11 5.316 5.316 4.473 0.843 18511
3499 1 9 . 1 1 13 13 ASP C C 11 176.185 176.185 174.560 1.625 18511
3500 1 9 . 1 1 13 13 ASP CA C 11 53.404 53.404 53.848 -0.444 18511
3501 1 9 . 1 1 13 13 ASP CB C 11 41.309 41.309 42.451 -1.142 18511
3502 1 9 . 1 1 13 13 ASP H H 11 8.442 8.442 8.331 0.111 18511
3503 1 9 . 1 1 14 14 LEU N N 12 125.431 125.431 119.022 6.409 18511
3504 1 9 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.583 -0.157 18511
3505 1 9 . 1 1 14 14 LEU C C 12 174.934 174.934 174.204 0.730 18511
3506 1 9 . 1 1 14 14 LEU CA C 12 53.697 53.697 54.731 -1.034 18511
3507 1 9 . 1 1 14 14 LEU CB C 12 44.170 44.170 44.904 -0.735 18511
3508 1 9 . 1 1 14 14 LEU H H 12 8.889 8.889 7.831 1.058 18511
3509 1 9 . 1 1 15 15 GLU N N 13 126.203 126.203 127.639 -1.436 18511
3510 1 9 . 1 1 15 15 GLU HA H 13 4.901 4.901 4.958 -0.057 18511
3511 1 9 . 1 1 15 15 GLU C C 13 173.555 173.555 175.339 -1.784 18511
3512 1 9 . 1 1 15 15 GLU CA C 13 55.168 55.168 54.384 0.784 18511
3513 1 9 . 1 1 15 15 GLU CB C 13 32.489 32.489 31.871 0.618 18511
3514 1 9 . 1 1 15 15 GLU H H 13 8.469 8.469 8.441 0.028 18511
3515 1 9 . 1 1 16 16 LEU N N 14 127.480 127.480 129.706 -2.226 18511
3516 1 9 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.567 -0.345 18511
3517 1 9 . 1 1 16 16 LEU C C 14 174.221 174.221 175.755 -1.534 18511
3518 1 9 . 1 1 16 16 LEU CA C 14 52.900 52.900 54.263 -1.363 18511
3519 1 9 . 1 1 16 16 LEU CB C 14 40.861 40.861 42.012 -1.151 18511
3520 1 9 . 1 1 16 16 LEU H H 14 9.082 9.082 8.733 0.349 18511
3521 1 9 . 1 1 17 17 VAL N N 15 122.038 122.038 126.101 -4.063 18511
3522 1 9 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.182 0.579 18511
3523 1 9 . 1 1 17 17 VAL C C 15 175.330 175.330 175.938 -0.608 18511
3524 1 9 . 1 1 17 17 VAL CA C 15 61.468 61.468 62.474 -1.006 18511
3525 1 9 . 1 1 17 17 VAL CB C 15 33.749 33.749 31.859 1.890 18511
3526 1 9 . 1 1 17 17 VAL H H 15 8.105 8.105 8.390 -0.285 18511
3527 1 9 . 1 1 18 18 VAL N N 16 127.741 127.741 129.052 -1.311 18511
3528 1 9 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.624 -0.339 18511
3529 1 9 . 1 1 18 18 VAL C C 16 173.555 173.555 174.803 -1.248 18511
3530 1 9 . 1 1 18 18 VAL CA C 16 61.020 61.020 61.352 -0.332 18511
3531 1 9 . 1 1 18 18 VAL CB C 16 35.604 35.604 33.758 1.845 18511
3532 1 9 . 1 1 18 18 VAL H H 16 9.335 9.335 8.376 0.959 18511
3533 1 9 . 1 1 19 19 HIS N N 17 126.695 126.695 124.382 2.313 18511
3534 1 9 . 1 1 19 19 HIS HA H 17 5.023 5.023 5.176 -0.153 18511
3535 1 9 . 1 1 19 19 HIS C C 17 175.710 175.710 175.118 0.592 18511
3536 1 9 . 1 1 19 19 HIS CA C 17 55.225 55.225 55.139 0.086 18511
3537 1 9 . 1 1 19 19 HIS CB C 17 30.418 30.418 29.552 0.865 18511
3538 1 9 . 1 1 19 19 HIS H H 17 8.710 8.710 8.744 -0.034 18511
3539 1 9 . 1 1 20 20 LEU N N 18 124.981 124.981 119.590 5.391 18511
3540 1 9 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.367 -0.056 18511
3541 1 9 . 1 1 20 20 LEU C C 18 177.357 177.357 177.384 -0.027 18511
3542 1 9 . 1 1 20 20 LEU CA C 18 54.162 54.162 54.895 -0.734 18511
3543 1 9 . 1 1 20 20 LEU CB C 18 43.005 43.005 41.844 1.161 18511
3544 1 9 . 1 1 20 20 LEU H H 18 8.941 8.941 7.861 1.080 18511
3545 1 9 . 1 1 21 21 SER N N 19 116.428 116.428 116.809 -0.381 18511
3546 1 9 . 1 1 21 21 SER HA H 19 4.280 4.280 4.224 0.056 18511
3547 1 9 . 1 1 21 21 SER C C 19 174.348 174.348 175.412 -1.064 18511
3548 1 9 . 1 1 21 21 SER CA C 19 59.696 59.696 60.276 -0.581 18511
3549 1 9 . 1 1 21 21 SER CB C 19 63.364 63.364 63.552 -0.188 18511
3550 1 9 . 1 1 21 21 SER H H 19 9.513 9.513 8.664 0.849 18511
3551 1 9 . 1 1 22 22 GLY N N 20 107.975 107.975 111.051 -3.076 18511
3552 1 9 . 1 1 22 22 GLY C C 20 171.306 171.306 172.482 -1.176 18511
3553 1 9 . 1 1 22 22 GLY CA C 20 44.193 44.193 44.789 -0.596 18511
3554 1 9 . 1 1 22 22 GLY H H 20 7.532 7.532 7.900 -0.368 18511
3555 1 9 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.211 0.152 18511
3556 1 9 . 1 1 23 23 PRO C C 21 177.141 177.141 176.985 0.156 18511
3557 1 9 . 1 1 23 23 PRO CA C 21 63.096 63.096 63.654 -0.558 18511
3558 1 9 . 1 1 23 23 PRO CB C 21 32.105 32.105 30.919 1.186 18511
3559 1 9 . 1 1 24 24 GLY N N 22 107.827 107.827 114.367 -6.540 18511
3560 1 9 . 1 1 24 24 GLY C C 22 173.270 173.270 172.809 0.461 18511
3561 1 9 . 1 1 24 24 GLY CA C 22 45.013 45.013 44.834 0.180 18511
3562 1 9 . 1 1 24 24 GLY H H 22 8.264 8.264 7.991 0.273 18511
3563 1 9 . 1 1 25 25 GLY N N 23 108.700 108.700 106.496 2.204 18511
3564 1 9 . 1 1 25 25 GLY C C 23 170.292 170.292 172.136 -1.844 18511
3565 1 9 . 1 1 25 25 GLY CA C 23 43.573 43.573 44.646 -1.073 18511
3566 1 9 . 1 1 25 25 GLY H H 23 7.797 7.797 8.062 -0.265 18511
3567 1 9 . 1 1 26 26 PRO HA H 24 4.574 4.574 4.570 0.004 18511
3568 1 9 . 1 1 26 26 PRO C C 24 175.331 175.331 175.578 -0.247 18511
3569 1 9 . 1 1 26 26 PRO CA C 24 62.105 62.105 62.675 -0.570 18511
3570 1 9 . 1 1 26 26 PRO CB C 24 34.842 34.842 32.696 2.146 18511
3571 1 9 . 1 1 27 27 VAL N N 25 121.565 121.565 121.368 0.197 18511
3572 1 9 . 1 1 27 27 VAL HA H 25 4.662 4.662 4.317 0.345 18511
3573 1 9 . 1 1 27 27 VAL C C 25 175.742 175.742 175.826 -0.084 18511
3574 1 9 . 1 1 27 27 VAL CA C 25 61.384 61.384 61.722 -0.339 18511
3575 1 9 . 1 1 27 27 VAL CB C 25 32.971 32.971 32.629 0.342 18511
3576 1 9 . 1 1 27 27 VAL H H 25 8.579 8.579 8.233 0.346 18511
3577 1 9 . 1 1 28 28 ARG N N 26 127.876 127.876 125.902 1.974 18511
3578 1 9 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.574 0.008 18511
3579 1 9 . 1 1 28 28 ARG C C 26 173.144 173.144 174.776 -1.632 18511
3580 1 9 . 1 1 28 28 ARG CA C 26 54.861 54.861 54.683 0.178 18511
3581 1 9 . 1 1 28 28 ARG CB C 26 34.589 34.589 33.131 1.458 18511
3582 1 9 . 1 1 28 28 ARG H H 26 8.856 8.856 8.461 0.395 18511
3583 1 9 . 1 1 29 29 TRP N N 27 121.571 121.571 121.431 0.140 18511
3584 1 9 . 1 1 29 29 TRP HA H 27 5.986 5.986 5.216 0.770 18511
3585 1 9 . 1 1 29 29 TRP C C 27 175.932 175.932 176.257 -0.325 18511
3586 1 9 . 1 1 29 29 TRP CA C 27 55.504 55.504 56.164 -0.660 18511
3587 1 9 . 1 1 29 29 TRP CB C 27 32.584 32.584 31.591 0.993 18511
3588 1 9 . 1 1 29 29 TRP H H 27 8.858 8.858 8.469 0.389 18511
3589 1 9 . 1 1 30 30 TYR N N 28 118.451 118.451 122.841 -4.390 18511
3590 1 9 . 1 1 30 30 TYR HA H 28 5.332 5.332 4.788 0.544 18511
3591 1 9 . 1 1 30 30 TYR C C 28 175.108 175.108 174.463 0.645 18511
3592 1 9 . 1 1 30 30 TYR CA C 28 55.924 55.924 56.972 -1.048 18511
3593 1 9 . 1 1 30 30 TYR CB C 28 43.194 43.194 42.950 0.244 18511
3594 1 9 . 1 1 30 30 TYR H H 28 9.605 9.605 9.193 0.412 18511
3595 1 9 . 1 1 31 31 LYS N N 29 120.638 120.638 120.440 0.198 18511
3596 1 9 . 1 1 31 31 LYS HA H 29 4.790 4.790 4.725 0.065 18511
3597 1 9 . 1 1 31 31 LYS C C 29 176.565 176.565 176.267 0.298 18511
3598 1 9 . 1 1 31 31 LYS CA C 29 54.496 54.496 55.332 -0.836 18511
3599 1 9 . 1 1 31 31 LYS CB C 29 35.345 35.345 34.163 1.182 18511
3600 1 9 . 1 1 31 31 LYS H H 29 9.055 9.055 8.667 0.388 18511
3601 1 9 . 1 1 32 32 ASP N N 30 131.009 131.009 127.386 3.623 18511
3602 1 9 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.271 0.175 18511
3603 1 9 . 1 1 32 32 ASP C C 30 176.344 176.344 176.106 0.238 18511
3604 1 9 . 1 1 32 32 ASP CA C 30 55.846 55.846 56.499 -0.653 18511
3605 1 9 . 1 1 32 32 ASP CB C 30 40.289 40.289 40.530 -0.241 18511
3606 1 9 . 1 1 32 32 ASP H H 30 10.006 10.006 8.808 1.198 18511
3607 1 9 . 1 1 33 33 GLY N N 31 102.658 102.658 105.389 -2.731 18511
3608 1 9 . 1 1 33 33 GLY C C 31 173.809 173.809 173.328 0.481 18511
3609 1 9 . 1 1 33 33 GLY CA C 31 45.127 45.127 44.874 0.252 18511
3610 1 9 . 1 1 33 33 GLY H H 31 8.903 8.903 7.766 1.137 18511
3611 1 9 . 1 1 34 34 GLU N N 32 121.796 121.796 121.547 0.249 18511
3612 1 9 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.828 -0.086 18511
3613 1 9 . 1 1 34 34 GLU C C 32 175.789 175.789 175.475 0.314 18511
3614 1 9 . 1 1 34 34 GLU CA C 32 54.496 54.496 54.631 -0.135 18511
3615 1 9 . 1 1 34 34 GLU CB C 32 31.161 31.161 32.133 -0.972 18511
3616 1 9 . 1 1 34 34 GLU H H 32 8.152 8.152 8.055 0.097 18511
3617 1 9 . 1 1 35 35 ARG N N 33 126.589 126.589 125.309 1.280 18511
3618 1 9 . 1 1 35 35 ARG HA H 33 3.927 3.927 4.159 -0.232 18511
3619 1 9 . 1 1 35 35 ARG C C 33 176.296 176.296 175.387 0.909 18511
3620 1 9 . 1 1 35 35 ARG CA C 33 56.344 56.344 56.231 0.113 18511
3621 1 9 . 1 1 35 35 ARG CB C 33 29.803 29.803 30.077 -0.274 18511
3622 1 9 . 1 1 35 35 ARG H H 33 8.928 8.928 8.699 0.229 18511
3623 1 9 . 1 1 36 36 LEU N N 34 127.490 127.490 123.585 3.905 18511
3624 1 9 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.385 0.212 18511
3625 1 9 . 1 1 36 36 LEU C C 34 175.361 175.361 176.184 -0.823 18511
3626 1 9 . 1 1 36 36 LEU CA C 34 53.656 53.656 54.215 -0.559 18511
3627 1 9 . 1 1 36 36 LEU CB C 34 44.501 44.501 42.643 1.858 18511
3628 1 9 . 1 1 36 36 LEU H H 34 8.668 8.668 7.941 0.727 18511
3629 1 9 . 1 1 37 37 ALA N N 35 124.016 124.016 125.780 -1.764 18511
3630 1 9 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.577 -0.028 18511
3631 1 9 . 1 1 37 37 ALA C C 35 175.757 175.757 176.557 -0.800 18511
3632 1 9 . 1 1 37 37 ALA CA C 35 50.039 50.039 50.367 -0.327 18511
3633 1 9 . 1 1 37 37 ALA CB C 35 21.822 21.822 20.344 1.478 18511
3634 1 9 . 1 1 37 37 ALA H H 35 8.177 8.177 8.184 -0.007 18511
3635 1 9 . 1 1 38 38 SER N N 36 114.574 114.574 115.362 -0.788 18511
3636 1 9 . 1 1 38 38 SER HA H 36 4.440 4.440 4.518 -0.078 18511
3637 1 9 . 1 1 38 38 SER C C 36 174.005 174.005 174.363 -0.358 18511
3638 1 9 . 1 1 38 38 SER CA C 36 57.610 57.610 58.052 -0.442 18511
3639 1 9 . 1 1 38 38 SER CB C 36 62.056 62.056 62.752 -0.695 18511
3640 1 9 . 1 1 38 38 SER H H 36 8.444 8.444 8.344 0.100 18511
3641 1 9 . 1 1 39 39 GLN N N 37 126.057 126.057 125.943 0.114 18511
3642 1 9 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.478 -0.026 18511
3643 1 9 . 1 1 39 39 GLN C C 37 175.599 175.599 177.014 -1.415 18511
3644 1 9 . 1 1 39 39 GLN CA C 37 55.433 55.433 54.382 1.051 18511
3645 1 9 . 1 1 39 39 GLN CB C 37 29.970 29.970 30.804 -0.834 18511
3646 1 9 . 1 1 39 39 GLN H H 37 8.477 8.477 8.074 0.403 18511
3647 1 9 . 1 1 41 41 ARG HA H 39 4.228 4.228 4.253 -0.025 18511
3648 1 9 . 1 1 41 41 ARG C C 39 174.776 174.776 176.553 -1.777 18511
3649 1 9 . 1 1 41 41 ARG CA C 39 57.143 57.143 57.028 0.115 18511
3650 1 9 . 1 1 41 41 ARG CB C 39 30.504 30.504 30.411 0.093 18511
3651 1 9 . 1 1 42 42 VAL N N 40 119.931 119.931 121.423 -1.492 18511
3652 1 9 . 1 1 42 42 VAL HA H 40 4.602 4.602 4.258 0.344 18511
3653 1 9 . 1 1 42 42 VAL C C 40 174.854 174.854 174.943 -0.089 18511
3654 1 9 . 1 1 42 42 VAL CA C 40 61.663 61.663 62.525 -0.862 18511
3655 1 9 . 1 1 42 42 VAL CB C 40 32.800 32.800 30.497 2.303 18511
3656 1 9 . 1 1 42 42 VAL H H 40 7.662 7.662 8.007 -0.345 18511
3657 1 9 . 1 1 43 43 GLN N N 41 125.689 125.689 125.906 -0.217 18511
3658 1 9 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.436 0.095 18511
3659 1 9 . 1 1 43 43 GLN C C 41 173.952 173.952 174.756 -0.804 18511
3660 1 9 . 1 1 43 43 GLN CA C 41 53.656 53.656 55.560 -1.904 18511
3661 1 9 . 1 1 43 43 GLN CB C 41 31.817 31.817 29.616 2.201 18511
3662 1 9 . 1 1 43 43 GLN H H 41 8.937 8.937 8.567 0.370 18511
3663 1 9 . 1 1 44 44 LEU N N 42 123.562 123.562 124.425 -0.863 18511
3664 1 9 . 1 1 44 44 LEU HA H 42 4.984 4.984 4.853 0.131 18511
3665 1 9 . 1 1 44 44 LEU C C 42 176.565 176.565 176.851 -0.286 18511
3666 1 9 . 1 1 44 44 LEU CA C 42 52.931 52.931 53.393 -0.462 18511
3667 1 9 . 1 1 44 44 LEU CB C 42 42.474 42.474 45.314 -2.840 18511
3668 1 9 . 1 1 44 44 LEU H H 42 8.231 8.231 8.552 -0.321 18511
3669 1 9 . 1 1 45 45 GLU N N 43 124.016 124.016 121.274 2.742 18511
3670 1 9 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.674 -0.018 18511
3671 1 9 . 1 1 45 45 GLU C C 43 175.346 175.346 175.024 0.322 18511
3672 1 9 . 1 1 45 45 GLU CA C 43 54.723 54.723 55.290 -0.567 18511
3673 1 9 . 1 1 45 45 GLU CB C 43 32.841 32.841 31.622 1.220 18511
3674 1 9 . 1 1 45 45 GLU H H 43 9.309 9.309 8.485 0.824 18511
3675 1 9 . 1 1 46 46 GLN N N 44 125.220 125.220 123.487 1.733 18511
3676 1 9 . 1 1 46 46 GLN HA H 44 4.928 4.928 4.491 0.437 18511
3677 1 9 . 1 1 46 46 GLN C C 44 174.332 174.332 174.683 -0.351 18511
3678 1 9 . 1 1 46 46 GLN CA C 44 54.832 54.832 55.820 -0.988 18511
3679 1 9 . 1 1 46 46 GLN CB C 44 30.726 30.726 28.710 2.016 18511
3680 1 9 . 1 1 46 46 GLN H H 44 8.825 8.825 8.819 0.006 18511
3681 1 9 . 1 1 47 47 ALA N N 45 129.999 129.999 128.006 1.993 18511
3682 1 9 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.737 -0.065 18511
3683 1 9 . 1 1 47 47 ALA C C 45 177.056 177.056 176.329 0.727 18511
3684 1 9 . 1 1 47 47 ALA CA C 45 50.716 50.716 52.342 -1.625 18511
3685 1 9 . 1 1 47 47 ALA CB C 45 18.798 18.798 20.468 -1.670 18511
3686 1 9 . 1 1 47 47 ALA H H 45 8.636 8.636 8.822 -0.186 18511
3687 1 9 . 1 1 48 48 GLY CA C 46 46.885 46.885 44.575 2.310 18511
3688 1 9 . 1 1 49 49 ALA HA H 47 4.183 4.183 3.944 0.239 18511
3689 1 9 . 1 1 49 49 ALA C C 47 176.586 176.586 177.181 -0.595 18511
3690 1 9 . 1 1 49 49 ALA CA C 47 53.068 53.068 53.481 -0.413 18511
3691 1 9 . 1 1 49 49 ALA CB C 47 18.714 18.714 17.855 0.859 18511
3692 1 9 . 1 1 50 50 ARG N N 48 119.282 119.282 124.848 -5.566 18511
3693 1 9 . 1 1 50 50 ARG HA H 48 4.635 4.635 4.202 0.433 18511
3694 1 9 . 1 1 50 50 ARG C C 48 174.348 174.348 175.074 -0.726 18511
3695 1 9 . 1 1 50 50 ARG CA C 48 55.672 55.672 55.980 -0.308 18511
3696 1 9 . 1 1 50 50 ARG CB C 48 31.413 31.413 30.687 0.726 18511
3697 1 9 . 1 1 50 50 ARG H H 48 7.725 7.725 7.931 -0.206 18511
3698 1 9 . 1 1 51 51 GLN N N 49 125.499 125.499 125.714 -0.215 18511
3699 1 9 . 1 1 51 51 GLN HA H 49 4.961 4.961 4.860 0.101 18511
3700 1 9 . 1 1 51 51 GLN C C 49 174.427 174.427 174.022 0.405 18511
3701 1 9 . 1 1 51 51 GLN CA C 49 53.404 53.404 54.402 -0.998 18511
3702 1 9 . 1 1 51 51 GLN CB C 49 30.133 30.133 33.424 -3.291 18511
3703 1 9 . 1 1 51 51 GLN H H 49 9.086 9.086 8.134 0.952 18511
3704 1 9 . 1 1 52 52 VAL N N 50 121.957 121.957 122.952 -0.995 18511
3705 1 9 . 1 1 52 52 VAL HA H 50 5.185 5.185 5.087 0.098 18511
3706 1 9 . 1 1 52 52 VAL C C 50 173.714 173.714 174.320 -0.606 18511
3707 1 9 . 1 1 52 52 VAL CA C 50 60.314 60.314 60.638 -0.324 18511
3708 1 9 . 1 1 52 52 VAL CB C 50 36.154 36.154 34.402 1.752 18511
3709 1 9 . 1 1 52 52 VAL H H 50 8.687 8.687 8.682 0.005 18511
3710 1 9 . 1 1 53 53 LEU N N 51 129.580 129.580 129.264 0.316 18511
3711 1 9 . 1 1 53 53 LEU HA H 51 4.389 4.389 4.709 -0.320 18511
3712 1 9 . 1 1 53 53 LEU C C 51 174.427 174.427 174.381 0.046 18511
3713 1 9 . 1 1 53 53 LEU CA C 51 53.536 53.536 52.390 1.146 18511
3714 1 9 . 1 1 53 53 LEU CB C 51 42.056 42.056 42.916 -0.860 18511
3715 1 9 . 1 1 53 53 LEU H H 51 8.380 8.380 7.692 0.688 18511
3716 1 9 . 1 1 54 54 ARG N N 52 125.706 125.706 127.294 -1.588 18511
3717 1 9 . 1 1 54 54 ARG HA H 52 5.255 5.255 5.195 0.060 18511
3718 1 9 . 1 1 54 54 ARG C C 52 174.981 174.981 175.389 -0.408 18511
3719 1 9 . 1 1 54 54 ARG CA C 52 53.992 53.992 53.790 0.202 18511
3720 1 9 . 1 1 54 54 ARG CB C 52 33.497 33.497 31.376 2.121 18511
3721 1 9 . 1 1 54 54 ARG H H 52 8.956 8.956 8.728 0.228 18511
3722 1 9 . 1 1 55 55 VAL N N 53 123.212 123.212 125.695 -2.483 18511
3723 1 9 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.220 0.399 18511
3724 1 9 . 1 1 55 55 VAL C C 53 175.124 175.124 174.899 0.225 18511
3725 1 9 . 1 1 55 55 VAL CA C 53 61.092 61.092 61.482 -0.390 18511
3726 1 9 . 1 1 55 55 VAL CB C 53 34.527 34.527 31.401 3.126 18511
3727 1 9 . 1 1 55 55 VAL H H 53 8.511 8.511 8.419 0.092 18511
3728 1 9 . 1 1 56 56 GLN N N 54 126.653 126.653 128.138 -1.485 18511
3729 1 9 . 1 1 56 56 GLN HA H 54 4.518 4.518 4.144 0.374 18511
3730 1 9 . 1 1 56 56 GLN C C 54 176.296 176.296 176.692 -0.396 18511
3731 1 9 . 1 1 56 56 GLN CA C 54 55.022 55.022 56.383 -1.361 18511
3732 1 9 . 1 1 56 56 GLN CB C 54 29.749 29.749 28.778 0.971 18511
3733 1 9 . 1 1 56 56 GLN H H 54 8.509 8.509 7.958 0.551 18511
3734 1 9 . 1 1 57 57 GLY N N 55 114.559 114.559 110.062 4.497 18511
3735 1 9 . 1 1 57 57 GLY C C 55 174.585 174.585 173.817 0.768 18511
3736 1 9 . 1 1 57 57 GLY CA C 55 47.319 47.319 44.875 2.444 18511
3737 1 9 . 1 1 57 57 GLY H H 55 8.420 8.420 8.369 0.051 18511
3738 1 9 . 1 1 58 58 ALA N N 56 122.793 122.793 121.971 0.822 18511
3739 1 9 . 1 1 58 58 ALA HA H 56 4.088 4.088 4.423 -0.335 18511
3740 1 9 . 1 1 58 58 ALA C C 56 177.120 177.120 175.589 1.531 18511
3741 1 9 . 1 1 58 58 ALA CA C 56 53.051 53.051 52.367 0.684 18511
3742 1 9 . 1 1 58 58 ALA CB C 56 18.051 18.051 19.766 -1.715 18511
3743 1 9 . 1 1 58 58 ALA H H 56 8.977 8.977 8.114 0.864 18511
3744 1 9 . 1 1 59 59 ARG N N 57 122.118 122.118 124.625 -2.507 18511
3745 1 9 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.519 0.232 18511
3746 1 9 . 1 1 59 59 ARG C C 57 177.231 177.231 175.209 2.022 18511
3747 1 9 . 1 1 59 59 ARG CA C 57 53.236 53.236 57.191 -3.955 18511
3748 1 9 . 1 1 59 59 ARG CB C 57 33.526 33.526 32.502 1.024 18511
3749 1 9 . 1 1 59 59 ARG H H 57 9.709 9.709 8.903 0.806 18511
3750 1 9 . 1 1 61 61 GLY C C 59 174.202 174.202 175.146 -0.944 18511
3751 1 9 . 1 1 61 61 GLY CA C 59 45.899 45.899 45.944 -0.045 18511
3752 1 9 . 1 1 62 62 ASP N N 60 116.489 116.489 122.932 -6.443 18511
3753 1 9 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.565 0.106 18511
3754 1 9 . 1 1 62 62 ASP C C 60 176.692 176.692 176.456 0.236 18511
3755 1 9 . 1 1 62 62 ASP CA C 60 54.854 54.854 55.518 -0.664 18511
3756 1 9 . 1 1 62 62 ASP CB C 60 41.130 41.130 41.003 0.127 18511
3757 1 9 . 1 1 62 62 ASP H H 60 8.300 8.300 8.516 -0.216 18511
3758 1 9 . 1 1 63 63 ALA N N 61 122.793 122.793 122.782 0.011 18511
3759 1 9 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.275 -0.170 18511
3760 1 9 . 1 1 63 63 ALA C C 61 176.581 176.581 176.478 0.103 18511
3761 1 9 . 1 1 63 63 ALA CA C 61 52.732 52.732 53.011 -0.279 18511
3762 1 9 . 1 1 63 63 ALA CB C 61 19.806 19.806 18.610 1.196 18511
3763 1 9 . 1 1 63 63 ALA H H 61 7.551 7.551 7.335 0.216 18511
3764 1 9 . 1 1 64 64 GLY N N 62 108.029 108.029 112.043 -4.014 18511
3765 1 9 . 1 1 64 64 GLY C C 62 171.274 171.274 172.446 -1.172 18511
3766 1 9 . 1 1 64 64 GLY CA C 62 44.826 44.826 45.085 -0.259 18511
3767 1 9 . 1 1 64 64 GLY H H 62 8.720 8.720 7.982 0.738 18511
3768 1 9 . 1 1 65 65 GLU N N 63 122.343 122.343 121.096 1.247 18511
3769 1 9 . 1 1 65 65 GLU HA H 63 5.134 5.134 5.502 -0.368 18511
3770 1 9 . 1 1 65 65 GLU C C 63 175.900 175.900 176.170 -0.270 18511
3771 1 9 . 1 1 65 65 GLU CA C 63 55.309 55.309 55.746 -0.437 18511
3772 1 9 . 1 1 65 65 GLU CB C 63 31.183 31.183 29.583 1.600 18511
3773 1 9 . 1 1 65 65 GLU H H 63 9.038 9.038 8.594 0.444 18511
3774 1 9 . 1 1 66 66 TYR N N 64 128.776 128.776 124.300 4.476 18511
3775 1 9 . 1 1 66 66 TYR HA H 64 5.769 5.769 4.991 0.778 18511
3776 1 9 . 1 1 66 66 TYR C C 64 174.157 174.157 175.131 -0.974 18511
3777 1 9 . 1 1 66 66 TYR CA C 64 56.596 56.596 57.847 -1.251 18511
3778 1 9 . 1 1 66 66 TYR CB C 64 40.857 40.857 40.946 -0.089 18511
3779 1 9 . 1 1 66 66 TYR H H 64 9.984 9.984 8.919 1.065 18511
3780 1 9 . 1 1 67 67 LEU N N 65 125.560 125.560 122.394 3.166 18511
3781 1 9 . 1 1 67 67 LEU HA H 65 5.360 5.360 5.312 0.048 18511
3782 1 9 . 1 1 67 67 LEU C C 65 174.617 174.617 175.290 -0.673 18511
3783 1 9 . 1 1 67 67 LEU CA C 65 53.294 53.294 54.048 -0.754 18511
3784 1 9 . 1 1 67 67 LEU CB C 65 46.296 46.296 45.055 1.241 18511
3785 1 9 . 1 1 67 67 LEU H H 65 9.385 9.385 8.796 0.589 18511
3786 1 9 . 1 1 68 68 CYS N N 66 127.135 127.135 128.374 -1.239 18511
3787 1 9 . 1 1 68 68 CYS HA H 66 3.994 3.994 3.911 0.083 18511
3788 1 9 . 1 1 68 68 CYS C C 66 172.383 172.383 173.699 -1.316 18511
3789 1 9 . 1 1 68 68 CYS CA C 66 57.828 57.828 57.267 0.560 18511
3790 1 9 . 1 1 68 68 CYS CB C 66 26.535 26.535 26.968 -0.433 18511
3791 1 9 . 1 1 68 68 CYS H H 66 9.102 9.102 8.604 0.498 18511
3792 1 9 . 1 1 69 69 ASP N N 67 129.420 129.420 129.045 0.375 18511
3793 1 9 . 1 1 69 69 ASP HA H 67 4.953 4.953 4.639 0.314 18511
3794 1 9 . 1 1 69 69 ASP C C 67 173.128 173.128 174.423 -1.295 18511
3795 1 9 . 1 1 69 69 ASP CA C 67 53.459 53.459 53.743 -0.284 18511
3796 1 9 . 1 1 69 69 ASP CB C 67 44.249 44.249 42.100 2.149 18511
3797 1 9 . 1 1 69 69 ASP H H 67 9.296 9.296 8.446 0.850 18511
3798 1 9 . 1 1 70 70 ALA N N 68 129.162 129.162 128.240 0.922 18511
3799 1 9 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.753 0.301 18511
3800 1 9 . 1 1 70 70 ALA C C 68 175.108 175.108 175.070 0.038 18511
3801 1 9 . 1 1 70 70 ALA CA C 68 49.404 49.404 48.798 0.606 18511
3802 1 9 . 1 1 70 70 ALA CB C 68 21.402 21.402 19.836 1.566 18511
3803 1 9 . 1 1 70 70 ALA H H 68 8.179 8.179 7.766 0.413 18511
3804 1 9 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.294 -0.129 18511
3805 1 9 . 1 1 71 71 PRO C C 69 177.840 177.840 176.574 1.266 18511
3806 1 9 . 1 1 71 71 PRO CA C 69 65.906 65.906 64.053 1.853 18511
3807 1 9 . 1 1 71 71 PRO CB C 69 31.744 31.744 31.403 0.341 18511
3808 1 9 . 1 1 72 72 GLN N N 70 113.851 113.851 119.369 -5.518 18511
3809 1 9 . 1 1 72 72 GLN HA H 70 4.363 4.363 4.005 0.358 18511
3810 1 9 . 1 1 72 72 GLN C C 70 174.744 174.744 174.715 0.029 18511
3811 1 9 . 1 1 72 72 GLN CA C 70 55.239 55.239 57.470 -2.231 18511
3812 1 9 . 1 1 72 72 GLN CB C 70 29.355 29.355 26.828 2.527 18511
3813 1 9 . 1 1 72 72 GLN H H 70 9.053 9.053 8.746 0.307 18511
3814 1 9 . 1 1 73 73 ASP N N 71 118.081 118.081 118.795 -0.714 18511
3815 1 9 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.677 0.147 18511
3816 1 9 . 1 1 73 73 ASP C C 71 173.017 173.017 174.450 -1.433 18511
3817 1 9 . 1 1 73 73 ASP CA C 71 53.992 53.992 53.882 0.111 18511
3818 1 9 . 1 1 73 73 ASP CB C 71 44.449 44.449 42.713 1.736 18511
3819 1 9 . 1 1 73 73 ASP H H 71 7.336 7.336 8.150 -0.814 18511
3820 1 9 . 1 1 74 74 SER N N 72 114.356 114.356 115.878 -1.522 18511
3821 1 9 . 1 1 74 74 SER HA H 72 5.209 5.209 4.358 0.851 18511
3822 1 9 . 1 1 74 74 SER C C 72 174.189 174.189 173.394 0.795 18511
3823 1 9 . 1 1 74 74 SER CA C 72 57.604 57.604 59.083 -1.479 18511
3824 1 9 . 1 1 74 74 SER CB C 72 64.697 64.697 63.144 1.553 18511
3825 1 9 . 1 1 74 74 SER H H 72 8.161 8.161 8.428 -0.267 18511
3826 1 9 . 1 1 75 75 ARG N N 73 122.793 122.793 124.846 -2.053 18511
3827 1 9 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.620 0.076 18511
3828 1 9 . 1 1 75 75 ARG C C 73 173.460 173.460 174.993 -1.533 18511
3829 1 9 . 1 1 75 75 ARG CA C 73 53.404 53.404 54.368 -0.964 18511
3830 1 9 . 1 1 75 75 ARG CB C 73 33.600 33.600 32.084 1.516 18511
3831 1 9 . 1 1 75 75 ARG H H 73 8.592 8.592 8.097 0.495 18511
3832 1 9 . 1 1 76 76 ILE N N 74 122.343 122.343 122.821 -0.478 18511
3833 1 9 . 1 1 76 76 ILE HA H 74 5.154 5.154 4.652 0.502 18511
3834 1 9 . 1 1 76 76 ILE C C 74 175.266 175.266 175.360 -0.094 18511
3835 1 9 . 1 1 76 76 ILE CA C 74 59.620 59.620 60.921 -1.301 18511
3836 1 9 . 1 1 76 76 ILE CB C 74 40.889 40.889 39.187 1.702 18511
3837 1 9 . 1 1 76 76 ILE H H 74 8.262 8.262 8.642 -0.380 18511
3838 1 9 . 1 1 77 77 PHE N N 75 126.428 126.428 125.669 0.759 18511
3839 1 9 . 1 1 77 77 PHE HA H 75 5.524 5.524 5.177 0.347 18511
3840 1 9 . 1 1 77 77 PHE C C 75 174.680 174.680 174.949 -0.269 18511
3841 1 9 . 1 1 77 77 PHE CA C 75 55.570 55.570 55.969 -0.399 18511
3842 1 9 . 1 1 77 77 PHE CB C 75 42.186 42.186 40.093 2.093 18511
3843 1 9 . 1 1 77 77 PHE H H 75 9.932 9.932 9.346 0.586 18511
3844 1 9 . 1 1 78 78 LEU N N 76 126.068 126.068 126.240 -0.172 18511
3845 1 9 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.448 0.676 18511
3846 1 9 . 1 1 78 78 LEU C C 76 176.138 176.138 175.825 0.313 18511
3847 1 9 . 1 1 78 78 LEU CA C 76 53.799 53.799 54.614 -0.815 18511
3848 1 9 . 1 1 78 78 LEU CB C 76 41.851 41.851 41.319 0.532 18511
3849 1 9 . 1 1 78 78 LEU H H 76 9.091 9.091 8.883 0.208 18511
3850 1 9 . 1 1 79 79 VAL N N 77 129.130 129.130 126.617 2.513 18511
3851 1 9 . 1 1 79 79 VAL HA H 77 5.109 5.109 4.998 0.111 18511
3852 1 9 . 1 1 79 79 VAL C C 77 176.597 176.597 175.888 0.709 18511
3853 1 9 . 1 1 79 79 VAL CA C 77 61.384 61.384 61.073 0.311 18511
3854 1 9 . 1 1 79 79 VAL CB C 77 33.846 33.846 32.383 1.463 18511
3855 1 9 . 1 1 79 79 VAL H H 77 9.408 9.408 7.999 1.409 18511
3856 1 9 . 1 1 80 80 SER N N 78 124.016 124.016 124.677 -0.661 18511
3857 1 9 . 1 1 80 80 SER HA H 78 4.908 4.908 4.798 0.110 18511
3858 1 9 . 1 1 80 80 SER C C 78 172.431 172.431 173.220 -0.789 18511
3859 1 9 . 1 1 80 80 SER CA C 78 56.344 56.344 56.692 -0.348 18511
3860 1 9 . 1 1 80 80 SER CB C 78 65.164 65.164 63.979 1.185 18511
3861 1 9 . 1 1 80 80 SER H H 78 9.125 9.125 8.689 0.436 18511
3862 1 9 . 1 1 81 81 VAL N N 79 124.402 124.402 127.646 -3.244 18511
3863 1 9 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.710 -0.175 18511
3864 1 9 . 1 1 81 81 VAL C C 79 174.744 174.744 175.972 -1.228 18511
3865 1 9 . 1 1 81 81 VAL CA C 79 61.028 61.028 61.900 -0.872 18511
3866 1 9 . 1 1 81 81 VAL CB C 79 32.741 32.741 30.686 2.055 18511
3867 1 9 . 1 1 81 81 VAL H H 79 8.638 8.638 8.814 -0.176 18511
3868 1 9 . 1 1 82 82 GLU N N 80 124.145 124.145 126.338 -2.193 18511
3869 1 9 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.476 0.085 18511
3870 1 9 . 1 1 82 82 GLU C C 80 174.839 174.839 174.443 0.396 18511
3871 1 9 . 1 1 82 82 GLU CA C 80 54.664 54.664 55.457 -0.793 18511
3872 1 9 . 1 1 82 82 GLU CB C 80 32.237 32.237 31.489 0.748 18511
3873 1 9 . 1 1 82 82 GLU H H 80 8.281 8.281 8.715 -0.434 18511
3874 1 9 . 1 1 83 83 GLU N N 81 123.244 123.244 118.199 5.045 18511
3875 1 9 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.164 0.275 18511
3876 1 9 . 1 1 83 83 GLU C C 81 173.841 173.841 174.097 -0.256 18511
3877 1 9 . 1 1 83 83 GLU CA C 81 54.611 54.611 56.004 -1.393 18511
3878 1 9 . 1 1 83 83 GLU CB C 81 29.046 29.046 28.558 0.488 18511
3879 1 9 . 1 1 83 83 GLU H H 81 8.656 8.656 8.603 0.053 18511
3880 1 10 . 1 1 4 4 THR N N 2 121.282 121.282 122.398 -1.116 18511
3881 1 10 . 1 1 4 4 THR HA H 2 4.463 4.463 4.316 0.147 18511
3882 1 10 . 1 1 4 4 THR C C 2 173.255 173.255 173.087 0.168 18511
3883 1 10 . 1 1 4 4 THR CA C 2 62.056 62.056 62.208 -0.152 18511
3884 1 10 . 1 1 4 4 THR CB C 2 70.955 70.955 68.171 2.784 18511
3885 1 10 . 1 1 4 4 THR H H 2 8.319 8.319 8.381 -0.062 18511
3886 1 10 . 1 1 5 5 ARG N N 3 127.535 127.535 126.578 0.957 18511
3887 1 10 . 1 1 5 5 ARG HA H 3 5.083 5.083 4.526 0.557 18511
3888 1 10 . 1 1 5 5 ARG C C 3 175.694 175.694 175.143 0.551 18511
3889 1 10 . 1 1 5 5 ARG CA C 3 55.236 55.236 55.282 -0.046 18511
3890 1 10 . 1 1 5 5 ARG CB C 3 30.776 30.776 32.809 -2.033 18511
3891 1 10 . 1 1 5 5 ARG H H 3 8.958 8.958 8.341 0.617 18511
3892 1 10 . 1 1 6 6 VAL N N 4 125.495 125.495 122.457 3.038 18511
3893 1 10 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.373 -0.041 18511
3894 1 10 . 1 1 6 6 VAL C C 4 173.365 173.365 174.381 -1.016 18511
3895 1 10 . 1 1 6 6 VAL CA C 4 61.473 61.473 61.012 0.461 18511
3896 1 10 . 1 1 6 6 VAL CB C 4 35.854 35.854 35.529 0.325 18511
3897 1 10 . 1 1 6 6 VAL H H 4 8.812 8.812 8.443 0.369 18511
3898 1 10 . 1 1 7 7 ARG N N 5 127.554 127.554 126.175 1.379 18511
3899 1 10 . 1 1 7 7 ARG HA H 5 5.175 5.175 5.477 -0.302 18511
3900 1 10 . 1 1 7 7 ARG C C 5 175.694 175.694 175.203 0.491 18511
3901 1 10 . 1 1 7 7 ARG CA C 5 54.373 54.373 54.979 -0.606 18511
3902 1 10 . 1 1 7 7 ARG CB C 5 31.679 31.679 32.501 -0.822 18511
3903 1 10 . 1 1 7 7 ARG H H 5 8.712 8.712 8.613 0.099 18511
3904 1 10 . 1 1 8 8 SER N N 6 120.281 120.281 120.979 -0.698 18511
3905 1 10 . 1 1 8 8 SER HA H 6 4.762 4.762 4.829 -0.067 18511
3906 1 10 . 1 1 8 8 SER C C 6 173.555 173.555 173.172 0.383 18511
3907 1 10 . 1 1 8 8 SER CA C 6 56.428 56.428 56.169 0.259 18511
3908 1 10 . 1 1 8 8 SER CB C 6 65.450 65.450 65.573 -0.124 18511
3909 1 10 . 1 1 8 8 SER H H 6 8.669 8.669 8.521 0.148 18511
3910 1 10 . 1 1 9 9 THR N N 7 117.885 117.885 114.275 3.610 18511
3911 1 10 . 1 1 9 9 THR HA H 7 4.847 4.847 5.220 -0.373 18511
3912 1 10 . 1 1 9 9 THR C C 7 172.748 172.748 173.881 -1.133 18511
3913 1 10 . 1 1 9 9 THR CA C 7 59.436 59.436 58.511 0.925 18511
3914 1 10 . 1 1 9 9 THR CB C 7 69.938 69.938 69.307 0.631 18511
3915 1 10 . 1 1 9 9 THR H H 7 8.362 8.362 8.568 -0.206 18511
3916 1 10 . 1 1 10 10 PRO HA H 8 4.060 4.060 4.532 -0.472 18511
3917 1 10 . 1 1 10 10 PRO C C 8 177.966 177.966 176.085 1.881 18511
3918 1 10 . 1 1 10 10 PRO CA C 8 63.484 63.484 63.078 0.406 18511
3919 1 10 . 1 1 10 10 PRO CB C 8 30.986 30.986 30.158 0.828 18511
3920 1 10 . 1 1 11 11 GLY N N 9 114.800 114.800 111.338 3.462 18511
3921 1 10 . 1 1 11 11 GLY C C 9 174.870 174.870 174.275 0.595 18511
3922 1 10 . 1 1 11 11 GLY CA C 9 45.147 45.147 45.778 -0.631 18511
3923 1 10 . 1 1 11 11 GLY H H 9 9.824 9.824 8.477 1.347 18511
3924 1 10 . 1 1 12 12 GLY N N 10 109.721 109.721 110.100 -0.379 18511
3925 1 10 . 1 1 12 12 GLY C C 10 171.924 171.924 172.242 -0.318 18511
3926 1 10 . 1 1 12 12 GLY CA C 10 43.913 43.913 44.154 -0.241 18511
3927 1 10 . 1 1 12 12 GLY H H 10 8.172 8.172 7.631 0.541 18511
3928 1 10 . 1 1 13 13 ASP N N 11 119.275 119.275 119.361 -0.086 18511
3929 1 10 . 1 1 13 13 ASP HA H 11 5.316 5.316 4.960 0.356 18511
3930 1 10 . 1 1 13 13 ASP C C 11 176.185 176.185 175.151 1.034 18511
3931 1 10 . 1 1 13 13 ASP CA C 11 53.404 53.404 52.314 1.090 18511
3932 1 10 . 1 1 13 13 ASP CB C 11 41.309 41.309 43.669 -2.360 18511
3933 1 10 . 1 1 13 13 ASP H H 11 8.442 8.442 8.093 0.349 18511
3934 1 10 . 1 1 14 14 LEU N N 12 125.431 125.431 123.116 2.315 18511
3935 1 10 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.493 -0.067 18511
3936 1 10 . 1 1 14 14 LEU C C 12 174.934 174.934 175.107 -0.173 18511
3937 1 10 . 1 1 14 14 LEU CA C 12 53.697 53.697 54.264 -0.567 18511
3938 1 10 . 1 1 14 14 LEU CB C 12 44.170 44.170 42.626 1.544 18511
3939 1 10 . 1 1 14 14 LEU H H 12 8.889 8.889 8.322 0.567 18511
3940 1 10 . 1 1 15 15 GLU N N 13 126.203 126.203 128.334 -2.131 18511
3941 1 10 . 1 1 15 15 GLU HA H 13 4.901 4.901 4.545 0.356 18511
3942 1 10 . 1 1 15 15 GLU C C 13 173.555 173.555 175.267 -1.712 18511
3943 1 10 . 1 1 15 15 GLU CA C 13 55.168 55.168 54.928 0.239 18511
3944 1 10 . 1 1 15 15 GLU CB C 13 32.489 32.489 30.274 2.215 18511
3945 1 10 . 1 1 15 15 GLU H H 13 8.469 8.469 8.513 -0.044 18511
3946 1 10 . 1 1 16 16 LEU N N 14 127.480 127.480 129.784 -2.304 18511
3947 1 10 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.609 -0.387 18511
3948 1 10 . 1 1 16 16 LEU C C 14 174.221 174.221 175.505 -1.284 18511
3949 1 10 . 1 1 16 16 LEU CA C 14 52.900 52.900 54.052 -1.152 18511
3950 1 10 . 1 1 16 16 LEU CB C 14 40.861 40.861 42.002 -1.141 18511
3951 1 10 . 1 1 16 16 LEU H H 14 9.082 9.082 8.544 0.538 18511
3952 1 10 . 1 1 17 17 VAL N N 15 122.038 122.038 125.989 -3.951 18511
3953 1 10 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.625 0.136 18511
3954 1 10 . 1 1 17 17 VAL C C 15 175.330 175.330 175.975 -0.645 18511
3955 1 10 . 1 1 17 17 VAL CA C 15 61.468 61.468 61.431 0.037 18511
3956 1 10 . 1 1 17 17 VAL CB C 15 33.749 33.749 32.390 1.359 18511
3957 1 10 . 1 1 17 17 VAL H H 15 8.105 8.105 8.405 -0.300 18511
3958 1 10 . 1 1 18 18 VAL N N 16 127.741 127.741 126.429 1.312 18511
3959 1 10 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.417 -0.132 18511
3960 1 10 . 1 1 18 18 VAL C C 16 173.555 173.555 175.573 -2.018 18511
3961 1 10 . 1 1 18 18 VAL CA C 16 61.020 61.020 61.207 -0.187 18511
3962 1 10 . 1 1 18 18 VAL CB C 16 35.604 35.604 33.145 2.459 18511
3963 1 10 . 1 1 18 18 VAL H H 16 9.335 9.335 8.496 0.839 18511
3964 1 10 . 1 1 19 19 HIS N N 17 126.695 126.695 123.624 3.071 18511
3965 1 10 . 1 1 19 19 HIS HA H 17 5.023 5.023 4.772 0.251 18511
3966 1 10 . 1 1 19 19 HIS C C 17 175.710 175.710 175.488 0.222 18511
3967 1 10 . 1 1 19 19 HIS CA C 17 55.225 55.225 55.951 -0.726 18511
3968 1 10 . 1 1 19 19 HIS CB C 17 30.418 30.418 29.073 1.345 18511
3969 1 10 . 1 1 19 19 HIS H H 17 8.710 8.710 8.685 0.025 18511
3970 1 10 . 1 1 20 20 LEU N N 18 124.981 124.981 122.234 2.747 18511
3971 1 10 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.032 0.279 18511
3972 1 10 . 1 1 20 20 LEU C C 18 177.357 177.357 177.727 -0.370 18511
3973 1 10 . 1 1 20 20 LEU CA C 18 54.162 54.162 56.794 -2.632 18511
3974 1 10 . 1 1 20 20 LEU CB C 18 43.005 43.005 42.290 0.715 18511
3975 1 10 . 1 1 20 20 LEU H H 18 8.941 8.941 7.730 1.211 18511
3976 1 10 . 1 1 21 21 SER N N 19 116.428 116.428 111.378 5.050 18511
3977 1 10 . 1 1 21 21 SER HA H 19 4.280 4.280 4.298 -0.018 18511
3978 1 10 . 1 1 21 21 SER C C 19 174.348 174.348 174.732 -0.384 18511
3979 1 10 . 1 1 21 21 SER CA C 19 59.696 59.696 58.853 0.843 18511
3980 1 10 . 1 1 21 21 SER CB C 19 63.364 63.364 62.610 0.754 18511
3981 1 10 . 1 1 21 21 SER H H 19 9.513 9.513 7.694 1.819 18511
3982 1 10 . 1 1 22 22 GLY N N 20 107.975 107.975 110.224 -2.249 18511
3983 1 10 . 1 1 22 22 GLY C C 20 171.306 171.306 172.422 -1.116 18511
3984 1 10 . 1 1 22 22 GLY CA C 20 44.193 44.193 43.337 0.856 18511
3985 1 10 . 1 1 22 22 GLY H H 20 7.532 7.532 8.184 -0.652 18511
3986 1 10 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.472 -0.109 18511
3987 1 10 . 1 1 23 23 PRO C C 21 177.141 177.141 177.556 -0.415 18511
3988 1 10 . 1 1 23 23 PRO CA C 21 63.096 63.096 62.690 0.406 18511
3989 1 10 . 1 1 23 23 PRO CB C 21 32.105 32.105 30.577 1.528 18511
3990 1 10 . 1 1 24 24 GLY N N 22 107.827 107.827 114.556 -6.729 18511
3991 1 10 . 1 1 24 24 GLY C C 22 173.270 173.270 174.352 -1.082 18511
3992 1 10 . 1 1 24 24 GLY CA C 22 45.013 45.013 45.955 -0.942 18511
3993 1 10 . 1 1 24 24 GLY H H 22 8.264 8.264 8.828 -0.564 18511
3994 1 10 . 1 1 25 25 GLY N N 23 108.700 108.700 109.464 -0.764 18511
3995 1 10 . 1 1 25 25 GLY C C 23 170.292 170.292 172.728 -2.436 18511
3996 1 10 . 1 1 25 25 GLY CA C 23 43.573 43.573 44.742 -1.169 18511
3997 1 10 . 1 1 25 25 GLY H H 23 7.797 7.797 7.873 -0.076 18511
3998 1 10 . 1 1 26 26 PRO HA H 24 4.574 4.574 4.579 -0.005 18511
3999 1 10 . 1 1 26 26 PRO C C 24 175.331 175.331 175.970 -0.639 18511
4000 1 10 . 1 1 26 26 PRO CA C 24 62.105 62.105 62.432 -0.327 18511
4001 1 10 . 1 1 26 26 PRO CB C 24 34.842 34.842 32.629 2.213 18511
4002 1 10 . 1 1 27 27 VAL N N 25 121.565 121.565 122.024 -0.459 18511
4003 1 10 . 1 1 27 27 VAL HA H 25 4.662 4.662 4.047 0.615 18511
4004 1 10 . 1 1 27 27 VAL C C 25 175.742 175.742 176.336 -0.594 18511
4005 1 10 . 1 1 27 27 VAL CA C 25 61.384 61.384 62.583 -1.199 18511
4006 1 10 . 1 1 27 27 VAL CB C 25 32.971 32.971 31.957 1.014 18511
4007 1 10 . 1 1 27 27 VAL H H 25 8.579 8.579 8.156 0.423 18511
4008 1 10 . 1 1 28 28 ARG N N 26 127.876 127.876 127.665 0.211 18511
4009 1 10 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.376 0.206 18511
4010 1 10 . 1 1 28 28 ARG C C 26 173.144 173.144 174.873 -1.729 18511
4011 1 10 . 1 1 28 28 ARG CA C 26 54.861 54.861 55.075 -0.214 18511
4012 1 10 . 1 1 28 28 ARG CB C 26 34.589 34.589 31.483 3.106 18511
4013 1 10 . 1 1 28 28 ARG H H 26 8.856 8.856 8.012 0.844 18511
4014 1 10 . 1 1 29 29 TRP N N 27 121.571 121.571 124.627 -3.056 18511
4015 1 10 . 1 1 29 29 TRP HA H 27 5.986 5.986 4.961 1.025 18511
4016 1 10 . 1 1 29 29 TRP C C 27 175.932 175.932 175.903 0.029 18511
4017 1 10 . 1 1 29 29 TRP CA C 27 55.504 55.504 56.180 -0.676 18511
4018 1 10 . 1 1 29 29 TRP CB C 27 32.584 32.584 31.269 1.315 18511
4019 1 10 . 1 1 29 29 TRP H H 27 8.858 8.858 8.744 0.114 18511
4020 1 10 . 1 1 30 30 TYR N N 28 118.451 118.451 122.985 -4.534 18511
4021 1 10 . 1 1 30 30 TYR HA H 28 5.332 5.332 4.867 0.465 18511
4022 1 10 . 1 1 30 30 TYR C C 28 175.108 175.108 174.559 0.549 18511
4023 1 10 . 1 1 30 30 TYR CA C 28 55.924 55.924 56.979 -1.055 18511
4024 1 10 . 1 1 30 30 TYR CB C 28 43.194 43.194 41.870 1.323 18511
4025 1 10 . 1 1 30 30 TYR H H 28 9.605 9.605 8.921 0.684 18511
4026 1 10 . 1 1 31 31 LYS N N 29 120.638 120.638 123.338 -2.700 18511
4027 1 10 . 1 1 31 31 LYS HA H 29 4.790 4.790 4.131 0.658 18511
4028 1 10 . 1 1 31 31 LYS C C 29 176.565 176.565 177.016 -0.451 18511
4029 1 10 . 1 1 31 31 LYS CA C 29 54.496 54.496 54.254 0.242 18511
4030 1 10 . 1 1 31 31 LYS CB C 29 35.345 35.345 32.826 2.519 18511
4031 1 10 . 1 1 31 31 LYS H H 29 9.055 9.055 8.605 0.450 18511
4032 1 10 . 1 1 32 32 ASP N N 30 131.009 131.009 128.513 2.496 18511
4033 1 10 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.279 0.168 18511
4034 1 10 . 1 1 32 32 ASP C C 30 176.344 176.344 175.971 0.373 18511
4035 1 10 . 1 1 32 32 ASP CA C 30 55.846 55.846 56.996 -1.150 18511
4036 1 10 . 1 1 32 32 ASP CB C 30 40.289 40.289 40.059 0.230 18511
4037 1 10 . 1 1 32 32 ASP H H 30 10.006 10.006 8.804 1.202 18511
4038 1 10 . 1 1 33 33 GLY N N 31 102.658 102.658 106.259 -3.601 18511
4039 1 10 . 1 1 33 33 GLY C C 31 173.809 173.809 173.030 0.779 18511
4040 1 10 . 1 1 33 33 GLY CA C 31 45.127 45.127 45.182 -0.055 18511
4041 1 10 . 1 1 33 33 GLY H H 31 8.903 8.903 8.040 0.863 18511
4042 1 10 . 1 1 34 34 GLU N N 32 121.796 121.796 121.917 -0.121 18511
4043 1 10 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.769 -0.027 18511
4044 1 10 . 1 1 34 34 GLU C C 32 175.789 175.789 175.898 -0.109 18511
4045 1 10 . 1 1 34 34 GLU CA C 32 54.496 54.496 54.715 -0.219 18511
4046 1 10 . 1 1 34 34 GLU CB C 32 31.161 31.161 31.593 -0.433 18511
4047 1 10 . 1 1 34 34 GLU H H 32 8.152 8.152 7.905 0.247 18511
4048 1 10 . 1 1 35 35 ARG N N 33 126.589 126.589 125.738 0.851 18511
4049 1 10 . 1 1 35 35 ARG HA H 33 3.927 3.927 4.377 -0.450 18511
4050 1 10 . 1 1 35 35 ARG C C 33 176.296 176.296 175.294 1.002 18511
4051 1 10 . 1 1 35 35 ARG CA C 33 56.344 56.344 56.005 0.339 18511
4052 1 10 . 1 1 35 35 ARG CB C 33 29.803 29.803 30.372 -0.569 18511
4053 1 10 . 1 1 35 35 ARG H H 33 8.928 8.928 8.769 0.159 18511
4054 1 10 . 1 1 36 36 LEU N N 34 127.490 127.490 122.293 5.197 18511
4055 1 10 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.471 0.126 18511
4056 1 10 . 1 1 36 36 LEU C C 34 175.361 175.361 176.343 -0.982 18511
4057 1 10 . 1 1 36 36 LEU CA C 34 53.656 53.656 53.859 -0.203 18511
4058 1 10 . 1 1 36 36 LEU CB C 34 44.501 44.501 42.305 2.196 18511
4059 1 10 . 1 1 36 36 LEU H H 34 8.668 8.668 8.059 0.609 18511
4060 1 10 . 1 1 37 37 ALA N N 35 124.016 124.016 124.298 -0.282 18511
4061 1 10 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.593 -0.044 18511
4062 1 10 . 1 1 37 37 ALA C C 35 175.757 175.757 176.437 -0.680 18511
4063 1 10 . 1 1 37 37 ALA CA C 35 50.039 50.039 51.065 -1.026 18511
4064 1 10 . 1 1 37 37 ALA CB C 35 21.822 21.822 20.494 1.328 18511
4065 1 10 . 1 1 37 37 ALA H H 35 8.177 8.177 8.194 -0.017 18511
4066 1 10 . 1 1 38 38 SER N N 36 114.574 114.574 118.629 -4.055 18511
4067 1 10 . 1 1 38 38 SER HA H 36 4.440 4.440 4.324 0.116 18511
4068 1 10 . 1 1 38 38 SER C C 36 174.005 174.005 174.628 -0.623 18511
4069 1 10 . 1 1 38 38 SER CA C 36 57.610 57.610 58.868 -1.258 18511
4070 1 10 . 1 1 38 38 SER CB C 36 62.056 62.056 62.568 -0.512 18511
4071 1 10 . 1 1 38 38 SER H H 36 8.444 8.444 8.609 -0.165 18511
4072 1 10 . 1 1 39 39 GLN N N 37 126.057 126.057 126.506 -0.449 18511
4073 1 10 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.496 -0.044 18511
4074 1 10 . 1 1 39 39 GLN C C 37 175.599 175.599 176.527 -0.928 18511
4075 1 10 . 1 1 39 39 GLN CA C 37 55.433 55.433 56.377 -0.944 18511
4076 1 10 . 1 1 39 39 GLN CB C 37 29.970 29.970 30.106 -0.136 18511
4077 1 10 . 1 1 39 39 GLN H H 37 8.477 8.477 8.551 -0.074 18511
4078 1 10 . 1 1 41 41 ARG HA H 39 4.228 4.228 4.129 0.099 18511
4079 1 10 . 1 1 41 41 ARG C C 39 174.776 174.776 176.855 -2.079 18511
4080 1 10 . 1 1 41 41 ARG CA C 39 57.143 57.143 57.458 -0.315 18511
4081 1 10 . 1 1 41 41 ARG CB C 39 30.504 30.504 30.454 0.050 18511
4082 1 10 . 1 1 42 42 VAL N N 40 119.931 119.931 120.100 -0.169 18511
4083 1 10 . 1 1 42 42 VAL HA H 40 4.602 4.602 4.165 0.437 18511
4084 1 10 . 1 1 42 42 VAL C C 40 174.854 174.854 174.809 0.045 18511
4085 1 10 . 1 1 42 42 VAL CA C 40 61.663 61.663 63.432 -1.769 18511
4086 1 10 . 1 1 42 42 VAL CB C 40 32.800 32.800 31.340 1.460 18511
4087 1 10 . 1 1 42 42 VAL H H 40 7.662 7.662 7.909 -0.247 18511
4088 1 10 . 1 1 43 43 GLN N N 41 125.689 125.689 127.256 -1.567 18511
4089 1 10 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.657 -0.126 18511
4090 1 10 . 1 1 43 43 GLN C C 41 173.952 173.952 174.252 -0.300 18511
4091 1 10 . 1 1 43 43 GLN CA C 41 53.656 53.656 53.988 -0.332 18511
4092 1 10 . 1 1 43 43 GLN CB C 41 31.817 31.817 31.479 0.338 18511
4093 1 10 . 1 1 43 43 GLN H H 41 8.937 8.937 8.303 0.634 18511
4094 1 10 . 1 1 44 44 LEU N N 42 123.562 123.562 127.101 -3.539 18511
4095 1 10 . 1 1 44 44 LEU HA H 42 4.984 4.984 4.536 0.448 18511
4096 1 10 . 1 1 44 44 LEU C C 42 176.565 176.565 176.207 0.358 18511
4097 1 10 . 1 1 44 44 LEU CA C 42 52.931 52.931 53.926 -0.995 18511
4098 1 10 . 1 1 44 44 LEU CB C 42 42.474 42.474 42.094 0.380 18511
4099 1 10 . 1 1 44 44 LEU H H 42 8.231 8.231 8.578 -0.347 18511
4100 1 10 . 1 1 45 45 GLU N N 43 124.016 124.016 126.226 -2.210 18511
4101 1 10 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.453 0.203 18511
4102 1 10 . 1 1 45 45 GLU C C 43 175.346 175.346 175.038 0.308 18511
4103 1 10 . 1 1 45 45 GLU CA C 43 54.723 54.723 54.527 0.196 18511
4104 1 10 . 1 1 45 45 GLU CB C 43 32.841 32.841 31.032 1.809 18511
4105 1 10 . 1 1 45 45 GLU H H 43 9.309 9.309 8.427 0.882 18511
4106 1 10 . 1 1 46 46 GLN N N 44 125.220 125.220 126.856 -1.636 18511
4107 1 10 . 1 1 46 46 GLN HA H 44 4.928 4.928 4.574 0.354 18511
4108 1 10 . 1 1 46 46 GLN C C 44 174.332 174.332 175.437 -1.105 18511
4109 1 10 . 1 1 46 46 GLN CA C 44 54.832 54.832 55.411 -0.579 18511
4110 1 10 . 1 1 46 46 GLN CB C 44 30.726 30.726 28.438 2.288 18511
4111 1 10 . 1 1 46 46 GLN H H 44 8.825 8.825 8.937 -0.112 18511
4112 1 10 . 1 1 47 47 ALA N N 45 129.999 129.999 127.704 2.295 18511
4113 1 10 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.488 0.184 18511
4114 1 10 . 1 1 47 47 ALA C C 45 177.056 177.056 177.386 -0.330 18511
4115 1 10 . 1 1 47 47 ALA CA C 45 50.716 50.716 52.671 -1.955 18511
4116 1 10 . 1 1 47 47 ALA CB C 45 18.798 18.798 20.014 -1.216 18511
4117 1 10 . 1 1 47 47 ALA H H 45 8.636 8.636 8.596 0.040 18511
4118 1 10 . 1 1 48 48 GLY CA C 46 46.885 46.885 45.088 1.797 18511
4119 1 10 . 1 1 49 49 ALA HA H 47 4.183 4.183 4.802 -0.619 18511
4120 1 10 . 1 1 49 49 ALA C C 47 176.586 176.586 176.121 0.465 18511
4121 1 10 . 1 1 49 49 ALA CA C 47 53.068 53.068 52.401 0.667 18511
4122 1 10 . 1 1 49 49 ALA CB C 47 18.714 18.714 20.495 -1.781 18511
4123 1 10 . 1 1 50 50 ARG N N 48 119.282 119.282 119.586 -0.304 18511
4124 1 10 . 1 1 50 50 ARG HA H 48 4.635 4.635 4.961 -0.326 18511
4125 1 10 . 1 1 50 50 ARG C C 48 174.348 174.348 174.592 -0.244 18511
4126 1 10 . 1 1 50 50 ARG CA C 48 55.672 55.672 54.827 0.845 18511
4127 1 10 . 1 1 50 50 ARG CB C 48 31.413 31.413 32.571 -1.157 18511
4128 1 10 . 1 1 50 50 ARG H H 48 7.725 7.725 7.960 -0.235 18511
4129 1 10 . 1 1 51 51 GLN N N 49 125.499 125.499 124.899 0.600 18511
4130 1 10 . 1 1 51 51 GLN HA H 49 4.961 4.961 5.518 -0.557 18511
4131 1 10 . 1 1 51 51 GLN C C 49 174.427 174.427 174.627 -0.200 18511
4132 1 10 . 1 1 51 51 GLN CA C 49 53.404 53.404 53.829 -0.425 18511
4133 1 10 . 1 1 51 51 GLN CB C 49 30.133 30.133 32.149 -2.016 18511
4134 1 10 . 1 1 51 51 GLN H H 49 9.086 9.086 8.191 0.895 18511
4135 1 10 . 1 1 52 52 VAL N N 50 121.957 121.957 124.695 -2.738 18511
4136 1 10 . 1 1 52 52 VAL HA H 50 5.185 5.185 5.154 0.031 18511
4137 1 10 . 1 1 52 52 VAL C C 50 173.714 173.714 174.277 -0.563 18511
4138 1 10 . 1 1 52 52 VAL CA C 50 60.314 60.314 60.564 -0.250 18511
4139 1 10 . 1 1 52 52 VAL CB C 50 36.154 36.154 33.461 2.693 18511
4140 1 10 . 1 1 52 52 VAL H H 50 8.687 8.687 8.875 -0.188 18511
4141 1 10 . 1 1 53 53 LEU N N 51 129.580 129.580 129.982 -0.402 18511
4142 1 10 . 1 1 53 53 LEU HA H 51 4.389 4.389 4.615 -0.226 18511
4143 1 10 . 1 1 53 53 LEU C C 51 174.427 174.427 174.764 -0.337 18511
4144 1 10 . 1 1 53 53 LEU CA C 51 53.536 53.536 52.666 0.870 18511
4145 1 10 . 1 1 53 53 LEU CB C 51 42.056 42.056 41.547 0.509 18511
4146 1 10 . 1 1 53 53 LEU H H 51 8.380 8.380 7.556 0.824 18511
4147 1 10 . 1 1 54 54 ARG N N 52 125.706 125.706 127.690 -1.984 18511
4148 1 10 . 1 1 54 54 ARG HA H 52 5.255 5.255 4.981 0.274 18511
4149 1 10 . 1 1 54 54 ARG C C 52 174.981 174.981 174.977 0.004 18511
4150 1 10 . 1 1 54 54 ARG CA C 52 53.992 53.992 54.322 -0.329 18511
4151 1 10 . 1 1 54 54 ARG CB C 52 33.497 33.497 31.870 1.627 18511
4152 1 10 . 1 1 54 54 ARG H H 52 8.956 8.956 8.452 0.504 18511
4153 1 10 . 1 1 55 55 VAL N N 53 123.212 123.212 126.144 -2.932 18511
4154 1 10 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.386 0.233 18511
4155 1 10 . 1 1 55 55 VAL C C 53 175.124 175.124 175.424 -0.300 18511
4156 1 10 . 1 1 55 55 VAL CA C 53 61.092 61.092 61.197 -0.105 18511
4157 1 10 . 1 1 55 55 VAL CB C 53 34.527 34.527 31.834 2.692 18511
4158 1 10 . 1 1 55 55 VAL H H 53 8.511 8.511 8.372 0.139 18511
4159 1 10 . 1 1 56 56 GLN N N 54 126.653 126.653 128.804 -2.151 18511
4160 1 10 . 1 1 56 56 GLN HA H 54 4.518 4.518 4.114 0.404 18511
4161 1 10 . 1 1 56 56 GLN C C 54 176.296 176.296 176.454 -0.158 18511
4162 1 10 . 1 1 56 56 GLN CA C 54 55.022 55.022 56.254 -1.232 18511
4163 1 10 . 1 1 56 56 GLN CB C 54 29.749 29.749 28.969 0.780 18511
4164 1 10 . 1 1 56 56 GLN H H 54 8.509 8.509 8.020 0.489 18511
4165 1 10 . 1 1 57 57 GLY N N 55 114.559 114.559 110.546 4.013 18511
4166 1 10 . 1 1 57 57 GLY C C 55 174.585 174.585 173.546 1.039 18511
4167 1 10 . 1 1 57 57 GLY CA C 55 47.319 47.319 44.972 2.346 18511
4168 1 10 . 1 1 57 57 GLY H H 55 8.420 8.420 8.261 0.159 18511
4169 1 10 . 1 1 58 58 ALA N N 56 122.793 122.793 122.071 0.722 18511
4170 1 10 . 1 1 58 58 ALA HA H 56 4.088 4.088 4.710 -0.622 18511
4171 1 10 . 1 1 58 58 ALA C C 56 177.120 177.120 175.521 1.599 18511
4172 1 10 . 1 1 58 58 ALA CA C 56 53.051 53.051 51.709 1.342 18511
4173 1 10 . 1 1 58 58 ALA CB C 56 18.051 18.051 19.644 -1.593 18511
4174 1 10 . 1 1 58 58 ALA H H 56 8.977 8.977 7.964 1.013 18511
4175 1 10 . 1 1 59 59 ARG N N 57 122.118 122.118 125.311 -3.193 18511
4176 1 10 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.697 0.054 18511
4177 1 10 . 1 1 59 59 ARG C C 57 177.231 177.231 177.358 -0.127 18511
4178 1 10 . 1 1 59 59 ARG CA C 57 53.236 53.236 57.238 -4.002 18511
4179 1 10 . 1 1 59 59 ARG CB C 57 33.526 33.526 32.187 1.339 18511
4180 1 10 . 1 1 59 59 ARG H H 57 9.709 9.709 8.964 0.745 18511
4181 1 10 . 1 1 61 61 GLY C C 59 174.202 174.202 175.554 -1.352 18511
4182 1 10 . 1 1 61 61 GLY CA C 59 45.899 45.899 46.248 -0.349 18511
4183 1 10 . 1 1 62 62 ASP N N 60 116.489 116.489 121.394 -4.905 18511
4184 1 10 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.503 0.168 18511
4185 1 10 . 1 1 62 62 ASP C C 60 176.692 176.692 176.370 0.322 18511
4186 1 10 . 1 1 62 62 ASP CA C 60 54.854 54.854 55.848 -0.994 18511
4187 1 10 . 1 1 62 62 ASP CB C 60 41.130 41.130 40.817 0.313 18511
4188 1 10 . 1 1 62 62 ASP H H 60 8.300 8.300 8.407 -0.107 18511
4189 1 10 . 1 1 63 63 ALA N N 61 122.793 122.793 121.473 1.320 18511
4190 1 10 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.358 -0.253 18511
4191 1 10 . 1 1 63 63 ALA C C 61 176.581 176.581 176.672 -0.091 18511
4192 1 10 . 1 1 63 63 ALA CA C 61 52.732 52.732 52.911 -0.179 18511
4193 1 10 . 1 1 63 63 ALA CB C 61 19.806 19.806 19.039 0.767 18511
4194 1 10 . 1 1 63 63 ALA H H 61 7.551 7.551 7.401 0.150 18511
4195 1 10 . 1 1 64 64 GLY N N 62 108.029 108.029 111.801 -3.772 18511
4196 1 10 . 1 1 64 64 GLY C C 62 171.274 171.274 172.420 -1.146 18511
4197 1 10 . 1 1 64 64 GLY CA C 62 44.826 44.826 44.974 -0.148 18511
4198 1 10 . 1 1 64 64 GLY H H 62 8.720 8.720 8.063 0.657 18511
4199 1 10 . 1 1 65 65 GLU N N 63 122.343 122.343 120.908 1.435 18511
4200 1 10 . 1 1 65 65 GLU HA H 63 5.134 5.134 5.177 -0.043 18511
4201 1 10 . 1 1 65 65 GLU C C 63 175.900 175.900 175.936 -0.036 18511
4202 1 10 . 1 1 65 65 GLU CA C 63 55.309 55.309 55.920 -0.612 18511
4203 1 10 . 1 1 65 65 GLU CB C 63 31.183 31.183 29.618 1.565 18511
4204 1 10 . 1 1 65 65 GLU H H 63 9.038 9.038 8.624 0.414 18511
4205 1 10 . 1 1 66 66 TYR N N 64 128.776 128.776 124.611 4.165 18511
4206 1 10 . 1 1 66 66 TYR HA H 64 5.769 5.769 5.248 0.521 18511
4207 1 10 . 1 1 66 66 TYR C C 64 174.157 174.157 175.819 -1.662 18511
4208 1 10 . 1 1 66 66 TYR CA C 64 56.596 56.596 57.376 -0.779 18511
4209 1 10 . 1 1 66 66 TYR CB C 64 40.857 40.857 40.015 0.842 18511
4210 1 10 . 1 1 66 66 TYR H H 64 9.984 9.984 8.486 1.498 18511
4211 1 10 . 1 1 67 67 LEU N N 65 125.560 125.560 126.609 -1.049 18511
4212 1 10 . 1 1 67 67 LEU HA H 65 5.360 5.360 4.962 0.398 18511
4213 1 10 . 1 1 67 67 LEU C C 65 174.617 174.617 175.685 -1.068 18511
4214 1 10 . 1 1 67 67 LEU CA C 65 53.294 53.294 53.980 -0.686 18511
4215 1 10 . 1 1 67 67 LEU CB C 65 46.296 46.296 42.995 3.301 18511
4216 1 10 . 1 1 67 67 LEU H H 65 9.385 9.385 8.997 0.388 18511
4217 1 10 . 1 1 68 68 CYS N N 66 127.135 127.135 128.965 -1.830 18511
4218 1 10 . 1 1 68 68 CYS HA H 66 3.994 3.994 4.159 -0.165 18511
4219 1 10 . 1 1 68 68 CYS C C 66 172.383 172.383 173.703 -1.320 18511
4220 1 10 . 1 1 68 68 CYS CA C 66 57.828 57.828 56.910 0.918 18511
4221 1 10 . 1 1 68 68 CYS CB C 66 26.535 26.535 27.165 -0.630 18511
4222 1 10 . 1 1 68 68 CYS H H 66 9.102 9.102 9.045 0.057 18511
4223 1 10 . 1 1 69 69 ASP N N 67 129.420 129.420 129.219 0.201 18511
4224 1 10 . 1 1 69 69 ASP HA H 67 4.953 4.953 4.635 0.318 18511
4225 1 10 . 1 1 69 69 ASP C C 67 173.128 173.128 175.160 -2.032 18511
4226 1 10 . 1 1 69 69 ASP CA C 67 53.459 53.459 53.967 -0.508 18511
4227 1 10 . 1 1 69 69 ASP CB C 67 44.249 44.249 42.056 2.193 18511
4228 1 10 . 1 1 69 69 ASP H H 67 9.296 9.296 8.458 0.838 18511
4229 1 10 . 1 1 70 70 ALA N N 68 129.162 129.162 128.529 0.633 18511
4230 1 10 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.409 0.645 18511
4231 1 10 . 1 1 70 70 ALA C C 68 175.108 175.108 176.015 -0.907 18511
4232 1 10 . 1 1 70 70 ALA CA C 68 49.404 49.404 49.968 -0.564 18511
4233 1 10 . 1 1 70 70 ALA CB C 68 21.402 21.402 18.740 2.662 18511
4234 1 10 . 1 1 70 70 ALA H H 68 8.179 8.179 7.774 0.405 18511
4235 1 10 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.375 -0.210 18511
4236 1 10 . 1 1 71 71 PRO C C 69 177.840 177.840 176.371 1.469 18511
4237 1 10 . 1 1 71 71 PRO CA C 69 65.906 65.906 63.779 2.127 18511
4238 1 10 . 1 1 71 71 PRO CB C 69 31.744 31.744 32.384 -0.640 18511
4239 1 10 . 1 1 72 72 GLN N N 70 113.851 113.851 119.362 -5.511 18511
4240 1 10 . 1 1 72 72 GLN HA H 70 4.363 4.363 4.418 -0.055 18511
4241 1 10 . 1 1 72 72 GLN C C 70 174.744 174.744 174.944 -0.200 18511
4242 1 10 . 1 1 72 72 GLN CA C 70 55.239 55.239 57.429 -2.190 18511
4243 1 10 . 1 1 72 72 GLN CB C 70 29.355 29.355 29.867 -0.512 18511
4244 1 10 . 1 1 72 72 GLN H H 70 9.053 9.053 8.012 1.041 18511
4245 1 10 . 1 1 73 73 ASP N N 71 118.081 118.081 118.070 0.011 18511
4246 1 10 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.698 0.126 18511
4247 1 10 . 1 1 73 73 ASP C C 71 173.017 173.017 174.337 -1.320 18511
4248 1 10 . 1 1 73 73 ASP CA C 71 53.992 53.992 53.874 0.118 18511
4249 1 10 . 1 1 73 73 ASP CB C 71 44.449 44.449 42.336 2.113 18511
4250 1 10 . 1 1 73 73 ASP H H 71 7.336 7.336 7.884 -0.548 18511
4251 1 10 . 1 1 74 74 SER N N 72 114.356 114.356 119.650 -5.294 18511
4252 1 10 . 1 1 74 74 SER HA H 72 5.209 5.209 4.410 0.798 18511
4253 1 10 . 1 1 74 74 SER C C 72 174.189 174.189 174.395 -0.206 18511
4254 1 10 . 1 1 74 74 SER CA C 72 57.604 57.604 59.082 -1.478 18511
4255 1 10 . 1 1 74 74 SER CB C 72 64.697 64.697 63.764 0.933 18511
4256 1 10 . 1 1 74 74 SER H H 72 8.161 8.161 8.391 -0.230 18511
4257 1 10 . 1 1 75 75 ARG N N 73 122.793 122.793 128.746 -5.953 18511
4258 1 10 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.646 0.050 18511
4259 1 10 . 1 1 75 75 ARG C C 73 173.460 173.460 174.729 -1.269 18511
4260 1 10 . 1 1 75 75 ARG CA C 73 53.404 53.404 54.744 -1.340 18511
4261 1 10 . 1 1 75 75 ARG CB C 73 33.600 33.600 33.126 0.474 18511
4262 1 10 . 1 1 75 75 ARG H H 73 8.592 8.592 8.455 0.137 18511
4263 1 10 . 1 1 76 76 ILE N N 74 122.343 122.343 122.570 -0.227 18511
4264 1 10 . 1 1 76 76 ILE HA H 74 5.154 5.154 4.675 0.479 18511
4265 1 10 . 1 1 76 76 ILE C C 74 175.266 175.266 174.807 0.459 18511
4266 1 10 . 1 1 76 76 ILE CA C 74 59.620 59.620 60.247 -0.627 18511
4267 1 10 . 1 1 76 76 ILE CB C 74 40.889 40.889 40.648 0.241 18511
4268 1 10 . 1 1 76 76 ILE H H 74 8.262 8.262 8.404 -0.142 18511
4269 1 10 . 1 1 77 77 PHE N N 75 126.428 126.428 122.759 3.669 18511
4270 1 10 . 1 1 77 77 PHE HA H 75 5.524 5.524 5.320 0.204 18511
4271 1 10 . 1 1 77 77 PHE C C 75 174.680 174.680 175.451 -0.771 18511
4272 1 10 . 1 1 77 77 PHE CA C 75 55.570 55.570 55.925 -0.355 18511
4273 1 10 . 1 1 77 77 PHE CB C 75 42.186 42.186 42.054 0.132 18511
4274 1 10 . 1 1 77 77 PHE H H 75 9.932 9.932 8.829 1.103 18511
4275 1 10 . 1 1 78 78 LEU N N 76 126.068 126.068 124.433 1.635 18511
4276 1 10 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.620 0.504 18511
4277 1 10 . 1 1 78 78 LEU C C 76 176.138 176.138 175.583 0.555 18511
4278 1 10 . 1 1 78 78 LEU CA C 76 53.799 53.799 54.077 -0.278 18511
4279 1 10 . 1 1 78 78 LEU CB C 76 41.851 41.851 41.972 -0.121 18511
4280 1 10 . 1 1 78 78 LEU H H 76 9.091 9.091 8.650 0.441 18511
4281 1 10 . 1 1 79 79 VAL N N 77 129.130 129.130 124.999 4.131 18511
4282 1 10 . 1 1 79 79 VAL HA H 77 5.109 5.109 4.832 0.277 18511
4283 1 10 . 1 1 79 79 VAL C C 77 176.597 176.597 175.690 0.907 18511
4284 1 10 . 1 1 79 79 VAL CA C 77 61.384 61.384 60.861 0.523 18511
4285 1 10 . 1 1 79 79 VAL CB C 77 33.846 33.846 33.297 0.549 18511
4286 1 10 . 1 1 79 79 VAL H H 77 9.408 9.408 8.026 1.382 18511
4287 1 10 . 1 1 80 80 SER N N 78 124.016 124.016 123.028 0.988 18511
4288 1 10 . 1 1 80 80 SER HA H 78 4.908 4.908 4.885 0.023 18511
4289 1 10 . 1 1 80 80 SER C C 78 172.431 172.431 172.955 -0.524 18511
4290 1 10 . 1 1 80 80 SER CA C 78 56.344 56.344 56.868 -0.524 18511
4291 1 10 . 1 1 80 80 SER CB C 78 65.164 65.164 64.836 0.328 18511
4292 1 10 . 1 1 80 80 SER H H 78 9.125 9.125 8.314 0.811 18511
4293 1 10 . 1 1 81 81 VAL N N 79 124.402 124.402 126.499 -2.097 18511
4294 1 10 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.773 -0.238 18511
4295 1 10 . 1 1 81 81 VAL C C 79 174.744 174.744 175.297 -0.553 18511
4296 1 10 . 1 1 81 81 VAL CA C 79 61.028 61.028 62.000 -0.972 18511
4297 1 10 . 1 1 81 81 VAL CB C 79 32.741 32.741 31.785 0.956 18511
4298 1 10 . 1 1 81 81 VAL H H 79 8.638 8.638 8.814 -0.176 18511
4299 1 10 . 1 1 82 82 GLU N N 80 124.145 124.145 125.544 -1.399 18511
4300 1 10 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.562 -0.001 18511
4301 1 10 . 1 1 82 82 GLU C C 80 174.839 174.839 174.559 0.280 18511
4302 1 10 . 1 1 82 82 GLU CA C 80 54.664 54.664 55.264 -0.600 18511
4303 1 10 . 1 1 82 82 GLU CB C 80 32.237 32.237 31.826 0.411 18511
4304 1 10 . 1 1 82 82 GLU H H 80 8.281 8.281 8.773 -0.492 18511
4305 1 10 . 1 1 83 83 GLU N N 81 123.244 123.244 119.218 4.026 18511
4306 1 10 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.141 0.298 18511
4307 1 10 . 1 1 83 83 GLU C C 81 173.841 173.841 174.340 -0.499 18511
4308 1 10 . 1 1 83 83 GLU CA C 81 54.611 54.611 55.706 -1.095 18511
4309 1 10 . 1 1 83 83 GLU CB C 81 29.046 29.046 29.159 -0.113 18511
4310 1 10 . 1 1 83 83 GLU H H 81 8.656 8.656 8.617 0.039 18511
4311 1 11 . 1 1 4 4 THR N N 2 121.282 121.282 120.021 1.261 18511
4312 1 11 . 1 1 4 4 THR HA H 2 4.463 4.463 4.385 0.078 18511
4313 1 11 . 1 1 4 4 THR C C 2 173.255 173.255 173.572 -0.317 18511
4314 1 11 . 1 1 4 4 THR CA C 2 62.056 62.056 61.350 0.706 18511
4315 1 11 . 1 1 4 4 THR CB C 2 70.955 70.955 67.535 3.420 18511
4316 1 11 . 1 1 4 4 THR H H 2 8.319 8.319 8.465 -0.146 18511
4317 1 11 . 1 1 5 5 ARG N N 3 127.535 127.535 126.410 1.125 18511
4318 1 11 . 1 1 5 5 ARG HA H 3 5.083 5.083 4.490 0.593 18511
4319 1 11 . 1 1 5 5 ARG C C 3 175.694 175.694 175.592 0.102 18511
4320 1 11 . 1 1 5 5 ARG CA C 3 55.236 55.236 56.022 -0.786 18511
4321 1 11 . 1 1 5 5 ARG CB C 3 30.776 30.776 30.872 -0.096 18511
4322 1 11 . 1 1 5 5 ARG H H 3 8.958 8.958 8.544 0.414 18511
4323 1 11 . 1 1 6 6 VAL N N 4 125.495 125.495 123.917 1.578 18511
4324 1 11 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.445 -0.113 18511
4325 1 11 . 1 1 6 6 VAL C C 4 173.365 173.365 174.414 -1.049 18511
4326 1 11 . 1 1 6 6 VAL CA C 4 61.473 61.473 60.920 0.553 18511
4327 1 11 . 1 1 6 6 VAL CB C 4 35.854 35.854 36.111 -0.257 18511
4328 1 11 . 1 1 6 6 VAL H H 4 8.812 8.812 8.357 0.455 18511
4329 1 11 . 1 1 7 7 ARG N N 5 127.554 127.554 125.975 1.579 18511
4330 1 11 . 1 1 7 7 ARG HA H 5 5.175 5.175 4.584 0.591 18511
4331 1 11 . 1 1 7 7 ARG C C 5 175.694 175.694 175.281 0.413 18511
4332 1 11 . 1 1 7 7 ARG CA C 5 54.373 54.373 55.589 -1.216 18511
4333 1 11 . 1 1 7 7 ARG CB C 5 31.679 31.679 31.829 -0.150 18511
4334 1 11 . 1 1 7 7 ARG H H 5 8.712 8.712 8.610 0.102 18511
4335 1 11 . 1 1 8 8 SER N N 6 120.281 120.281 118.096 2.185 18511
4336 1 11 . 1 1 8 8 SER HA H 6 4.762 4.762 4.823 -0.061 18511
4337 1 11 . 1 1 8 8 SER C C 6 173.555 173.555 172.954 0.601 18511
4338 1 11 . 1 1 8 8 SER CA C 6 56.428 56.428 56.572 -0.144 18511
4339 1 11 . 1 1 8 8 SER CB C 6 65.450 65.450 65.192 0.258 18511
4340 1 11 . 1 1 8 8 SER H H 6 8.669 8.669 8.709 -0.040 18511
4341 1 11 . 1 1 9 9 THR N N 7 117.885 117.885 112.810 5.075 18511
4342 1 11 . 1 1 9 9 THR HA H 7 4.847 4.847 5.178 -0.331 18511
4343 1 11 . 1 1 9 9 THR C C 7 172.748 172.748 172.812 -0.064 18511
4344 1 11 . 1 1 9 9 THR CA C 7 59.436 59.436 57.803 1.633 18511
4345 1 11 . 1 1 9 9 THR CB C 7 69.938 69.938 70.025 -0.087 18511
4346 1 11 . 1 1 9 9 THR H H 7 8.362 8.362 8.147 0.215 18511
4347 1 11 . 1 1 10 10 PRO HA H 8 4.060 4.060 4.294 -0.234 18511
4348 1 11 . 1 1 10 10 PRO C C 8 177.966 177.966 176.905 1.061 18511
4349 1 11 . 1 1 10 10 PRO CA C 8 63.484 63.484 63.081 0.403 18511
4350 1 11 . 1 1 10 10 PRO CB C 8 30.986 30.986 30.355 0.631 18511
4351 1 11 . 1 1 11 11 GLY N N 9 114.800 114.800 114.781 0.019 18511
4352 1 11 . 1 1 11 11 GLY C C 9 174.870 174.870 174.692 0.178 18511
4353 1 11 . 1 1 11 11 GLY CA C 9 45.147 45.147 44.886 0.260 18511
4354 1 11 . 1 1 11 11 GLY H H 9 9.824 9.824 8.788 1.036 18511
4355 1 11 . 1 1 12 12 GLY N N 10 109.721 109.721 110.034 -0.313 18511
4356 1 11 . 1 1 12 12 GLY C C 10 171.924 171.924 172.246 -0.322 18511
4357 1 11 . 1 1 12 12 GLY CA C 10 43.913 43.913 44.152 -0.239 18511
4358 1 11 . 1 1 12 12 GLY H H 10 8.172 8.172 7.521 0.651 18511
4359 1 11 . 1 1 13 13 ASP N N 11 119.275 119.275 119.131 0.144 18511
4360 1 11 . 1 1 13 13 ASP HA H 11 5.316 5.316 5.084 0.232 18511
4361 1 11 . 1 1 13 13 ASP C C 11 176.185 176.185 175.099 1.086 18511
4362 1 11 . 1 1 13 13 ASP CA C 11 53.404 53.404 52.501 0.903 18511
4363 1 11 . 1 1 13 13 ASP CB C 11 41.309 41.309 43.483 -2.174 18511
4364 1 11 . 1 1 13 13 ASP H H 11 8.442 8.442 8.236 0.206 18511
4365 1 11 . 1 1 14 14 LEU N N 12 125.431 125.431 123.521 1.910 18511
4366 1 11 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.386 0.040 18511
4367 1 11 . 1 1 14 14 LEU C C 12 174.934 174.934 174.942 -0.008 18511
4368 1 11 . 1 1 14 14 LEU CA C 12 53.697 53.697 54.883 -1.186 18511
4369 1 11 . 1 1 14 14 LEU CB C 12 44.170 44.170 43.561 0.609 18511
4370 1 11 . 1 1 14 14 LEU H H 12 8.889 8.889 8.302 0.587 18511
4371 1 11 . 1 1 15 15 GLU N N 13 126.203 126.203 127.763 -1.560 18511
4372 1 11 . 1 1 15 15 GLU HA H 13 4.901 4.901 4.661 0.240 18511
4373 1 11 . 1 1 15 15 GLU C C 13 173.555 173.555 175.391 -1.836 18511
4374 1 11 . 1 1 15 15 GLU CA C 13 55.168 55.168 54.595 0.573 18511
4375 1 11 . 1 1 15 15 GLU CB C 13 32.489 32.489 31.366 1.123 18511
4376 1 11 . 1 1 15 15 GLU H H 13 8.469 8.469 8.611 -0.142 18511
4377 1 11 . 1 1 16 16 LEU N N 14 127.480 127.480 129.837 -2.357 18511
4378 1 11 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.622 -0.400 18511
4379 1 11 . 1 1 16 16 LEU C C 14 174.221 174.221 175.604 -1.383 18511
4380 1 11 . 1 1 16 16 LEU CA C 14 52.900 52.900 54.206 -1.306 18511
4381 1 11 . 1 1 16 16 LEU CB C 14 40.861 40.861 42.082 -1.221 18511
4382 1 11 . 1 1 16 16 LEU H H 14 9.082 9.082 8.639 0.443 18511
4383 1 11 . 1 1 17 17 VAL N N 15 122.038 122.038 125.840 -3.802 18511
4384 1 11 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.221 0.540 18511
4385 1 11 . 1 1 17 17 VAL C C 15 175.330 175.330 175.920 -0.590 18511
4386 1 11 . 1 1 17 17 VAL CA C 15 61.468 61.468 61.628 -0.160 18511
4387 1 11 . 1 1 17 17 VAL CB C 15 33.749 33.749 31.083 2.666 18511
4388 1 11 . 1 1 17 17 VAL H H 15 8.105 8.105 8.545 -0.440 18511
4389 1 11 . 1 1 18 18 VAL N N 16 127.741 127.741 128.536 -0.795 18511
4390 1 11 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.439 -0.154 18511
4391 1 11 . 1 1 18 18 VAL C C 16 173.555 173.555 175.256 -1.701 18511
4392 1 11 . 1 1 18 18 VAL CA C 16 61.020 61.020 61.794 -0.774 18511
4393 1 11 . 1 1 18 18 VAL CB C 16 35.604 35.604 32.328 3.276 18511
4394 1 11 . 1 1 18 18 VAL H H 16 9.335 9.335 8.458 0.877 18511
4395 1 11 . 1 1 19 19 HIS N N 17 126.695 126.695 124.501 2.194 18511
4396 1 11 . 1 1 19 19 HIS HA H 17 5.023 5.023 4.656 0.367 18511
4397 1 11 . 1 1 19 19 HIS C C 17 175.710 175.710 175.398 0.312 18511
4398 1 11 . 1 1 19 19 HIS CA C 17 55.225 55.225 55.557 -0.332 18511
4399 1 11 . 1 1 19 19 HIS CB C 17 30.418 30.418 28.907 1.511 18511
4400 1 11 . 1 1 19 19 HIS H H 17 8.710 8.710 8.780 -0.070 18511
4401 1 11 . 1 1 20 20 LEU N N 18 124.981 124.981 119.866 5.115 18511
4402 1 11 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.259 0.052 18511
4403 1 11 . 1 1 20 20 LEU C C 18 177.357 177.357 177.658 -0.301 18511
4404 1 11 . 1 1 20 20 LEU CA C 18 54.162 54.162 55.608 -1.446 18511
4405 1 11 . 1 1 20 20 LEU CB C 18 43.005 43.005 42.647 0.358 18511
4406 1 11 . 1 1 20 20 LEU H H 18 8.941 8.941 7.687 1.254 18511
4407 1 11 . 1 1 21 21 SER N N 19 116.428 116.428 117.443 -1.015 18511
4408 1 11 . 1 1 21 21 SER HA H 19 4.280 4.280 4.417 -0.137 18511
4409 1 11 . 1 1 21 21 SER C C 19 174.348 174.348 174.670 -0.322 18511
4410 1 11 . 1 1 21 21 SER CA C 19 59.696 59.696 57.940 1.756 18511
4411 1 11 . 1 1 21 21 SER CB C 19 63.364 63.364 62.174 1.190 18511
4412 1 11 . 1 1 21 21 SER H H 19 9.513 9.513 8.784 0.729 18511
4413 1 11 . 1 1 22 22 GLY N N 20 107.975 107.975 112.780 -4.805 18511
4414 1 11 . 1 1 22 22 GLY C C 20 171.306 171.306 173.806 -2.500 18511
4415 1 11 . 1 1 22 22 GLY CA C 20 44.193 44.193 43.692 0.501 18511
4416 1 11 . 1 1 22 22 GLY H H 20 7.532 7.532 7.908 -0.376 18511
4417 1 11 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.388 -0.025 18511
4418 1 11 . 1 1 23 23 PRO C C 21 177.141 177.141 177.496 -0.355 18511
4419 1 11 . 1 1 23 23 PRO CA C 21 63.096 63.096 62.431 0.665 18511
4420 1 11 . 1 1 23 23 PRO CB C 21 32.105 32.105 30.945 1.160 18511
4421 1 11 . 1 1 24 24 GLY N N 22 107.827 107.827 109.607 -1.780 18511
4422 1 11 . 1 1 24 24 GLY C C 22 173.270 173.270 173.978 -0.708 18511
4423 1 11 . 1 1 24 24 GLY CA C 22 45.013 45.013 45.201 -0.188 18511
4424 1 11 . 1 1 24 24 GLY H H 22 8.264 8.264 8.409 -0.145 18511
4425 1 11 . 1 1 25 25 GLY N N 23 108.700 108.700 108.670 0.030 18511
4426 1 11 . 1 1 25 25 GLY C C 23 170.292 170.292 171.698 -1.406 18511
4427 1 11 . 1 1 25 25 GLY CA C 23 43.573 43.573 44.725 -1.152 18511
4428 1 11 . 1 1 25 25 GLY H H 23 7.797 7.797 7.530 0.267 18511
4429 1 11 . 1 1 26 26 PRO HA H 24 4.574 4.574 5.069 -0.495 18511
4430 1 11 . 1 1 26 26 PRO C C 24 175.331 175.331 175.802 -0.471 18511
4431 1 11 . 1 1 26 26 PRO CA C 24 62.105 62.105 62.340 -0.235 18511
4432 1 11 . 1 1 26 26 PRO CB C 24 34.842 34.842 33.369 1.473 18511
4433 1 11 . 1 1 27 27 VAL N N 25 121.565 121.565 121.112 0.453 18511
4434 1 11 . 1 1 27 27 VAL HA H 25 4.662 4.662 4.220 0.442 18511
4435 1 11 . 1 1 27 27 VAL C C 25 175.742 175.742 175.657 0.085 18511
4436 1 11 . 1 1 27 27 VAL CA C 25 61.384 61.384 61.198 0.186 18511
4437 1 11 . 1 1 27 27 VAL CB C 25 32.971 32.971 33.631 -0.660 18511
4438 1 11 . 1 1 27 27 VAL H H 25 8.579 8.579 8.107 0.472 18511
4439 1 11 . 1 1 28 28 ARG N N 26 127.876 127.876 126.058 1.818 18511
4440 1 11 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.504 0.078 18511
4441 1 11 . 1 1 28 28 ARG C C 26 173.144 173.144 174.774 -1.630 18511
4442 1 11 . 1 1 28 28 ARG CA C 26 54.861 54.861 54.989 -0.128 18511
4443 1 11 . 1 1 28 28 ARG CB C 26 34.589 34.589 31.712 2.877 18511
4444 1 11 . 1 1 28 28 ARG H H 26 8.856 8.856 8.619 0.237 18511
4445 1 11 . 1 1 29 29 TRP N N 27 121.571 121.571 123.785 -2.214 18511
4446 1 11 . 1 1 29 29 TRP HA H 27 5.986 5.986 5.079 0.907 18511
4447 1 11 . 1 1 29 29 TRP C C 27 175.932 175.932 176.068 -0.136 18511
4448 1 11 . 1 1 29 29 TRP CA C 27 55.504 55.504 55.896 -0.392 18511
4449 1 11 . 1 1 29 29 TRP CB C 27 32.584 32.584 31.756 0.828 18511
4450 1 11 . 1 1 29 29 TRP H H 27 8.858 8.858 8.656 0.202 18511
4451 1 11 . 1 1 30 30 TYR N N 28 118.451 118.451 121.209 -2.758 18511
4452 1 11 . 1 1 30 30 TYR HA H 28 5.332 5.332 4.952 0.380 18511
4453 1 11 . 1 1 30 30 TYR C C 28 175.108 175.108 174.245 0.863 18511
4454 1 11 . 1 1 30 30 TYR CA C 28 55.924 55.924 57.281 -1.357 18511
4455 1 11 . 1 1 30 30 TYR CB C 28 43.194 43.194 41.577 1.617 18511
4456 1 11 . 1 1 30 30 TYR H H 28 9.605 9.605 8.846 0.759 18511
4457 1 11 . 1 1 31 31 LYS N N 29 120.638 120.638 123.085 -2.447 18511
4458 1 11 . 1 1 31 31 LYS HA H 29 4.790 4.790 4.904 -0.114 18511
4459 1 11 . 1 1 31 31 LYS C C 29 176.565 176.565 176.744 -0.179 18511
4460 1 11 . 1 1 31 31 LYS CA C 29 54.496 54.496 53.776 0.720 18511
4461 1 11 . 1 1 31 31 LYS CB C 29 35.345 35.345 34.832 0.513 18511
4462 1 11 . 1 1 31 31 LYS H H 29 9.055 9.055 8.933 0.122 18511
4463 1 11 . 1 1 32 32 ASP N N 30 131.009 131.009 127.734 3.275 18511
4464 1 11 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.296 0.150 18511
4465 1 11 . 1 1 32 32 ASP C C 30 176.344 176.344 176.218 0.126 18511
4466 1 11 . 1 1 32 32 ASP CA C 30 55.846 55.846 55.569 0.277 18511
4467 1 11 . 1 1 32 32 ASP CB C 30 40.289 40.289 39.587 0.702 18511
4468 1 11 . 1 1 32 32 ASP H H 30 10.006 10.006 8.993 1.013 18511
4469 1 11 . 1 1 33 33 GLY N N 31 102.658 102.658 104.719 -2.061 18511
4470 1 11 . 1 1 33 33 GLY C C 31 173.809 173.809 173.611 0.198 18511
4471 1 11 . 1 1 33 33 GLY CA C 31 45.127 45.127 45.163 -0.036 18511
4472 1 11 . 1 1 33 33 GLY H H 31 8.903 8.903 8.778 0.125 18511
4473 1 11 . 1 1 34 34 GLU N N 32 121.796 121.796 120.794 1.002 18511
4474 1 11 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.801 -0.059 18511
4475 1 11 . 1 1 34 34 GLU C C 32 175.789 175.789 175.238 0.551 18511
4476 1 11 . 1 1 34 34 GLU CA C 32 54.496 54.496 54.582 -0.086 18511
4477 1 11 . 1 1 34 34 GLU CB C 32 31.161 31.161 32.193 -1.032 18511
4478 1 11 . 1 1 34 34 GLU H H 32 8.152 8.152 7.849 0.303 18511
4479 1 11 . 1 1 35 35 ARG N N 33 126.589 126.589 124.626 1.963 18511
4480 1 11 . 1 1 35 35 ARG HA H 33 3.927 3.927 4.482 -0.555 18511
4481 1 11 . 1 1 35 35 ARG C C 33 176.296 176.296 175.276 1.020 18511
4482 1 11 . 1 1 35 35 ARG CA C 33 56.344 56.344 55.622 0.722 18511
4483 1 11 . 1 1 35 35 ARG CB C 33 29.803 29.803 30.401 -0.598 18511
4484 1 11 . 1 1 35 35 ARG H H 33 8.928 8.928 8.703 0.225 18511
4485 1 11 . 1 1 36 36 LEU N N 34 127.490 127.490 122.313 5.177 18511
4486 1 11 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.457 0.140 18511
4487 1 11 . 1 1 36 36 LEU C C 34 175.361 175.361 176.436 -1.075 18511
4488 1 11 . 1 1 36 36 LEU CA C 34 53.656 53.656 53.784 -0.128 18511
4489 1 11 . 1 1 36 36 LEU CB C 34 44.501 44.501 42.416 2.085 18511
4490 1 11 . 1 1 36 36 LEU H H 34 8.668 8.668 7.862 0.806 18511
4491 1 11 . 1 1 37 37 ALA N N 35 124.016 124.016 124.419 -0.403 18511
4492 1 11 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.595 -0.046 18511
4493 1 11 . 1 1 37 37 ALA C C 35 175.757 175.757 176.615 -0.858 18511
4494 1 11 . 1 1 37 37 ALA CA C 35 50.039 50.039 51.402 -1.363 18511
4495 1 11 . 1 1 37 37 ALA CB C 35 21.822 21.822 20.555 1.266 18511
4496 1 11 . 1 1 37 37 ALA H H 35 8.177 8.177 8.176 0.001 18511
4497 1 11 . 1 1 38 38 SER N N 36 114.574 114.574 118.361 -3.787 18511
4498 1 11 . 1 1 38 38 SER HA H 36 4.440 4.440 4.375 0.065 18511
4499 1 11 . 1 1 38 38 SER C C 36 174.005 174.005 174.393 -0.388 18511
4500 1 11 . 1 1 38 38 SER CA C 36 57.610 57.610 58.753 -1.143 18511
4501 1 11 . 1 1 38 38 SER CB C 36 62.056 62.056 62.294 -0.238 18511
4502 1 11 . 1 1 38 38 SER H H 36 8.444 8.444 8.590 -0.146 18511
4503 1 11 . 1 1 39 39 GLN N N 37 126.057 126.057 125.339 0.718 18511
4504 1 11 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.430 0.022 18511
4505 1 11 . 1 1 39 39 GLN C C 37 175.599 175.599 176.593 -0.994 18511
4506 1 11 . 1 1 39 39 GLN CA C 37 55.433 55.433 56.151 -0.718 18511
4507 1 11 . 1 1 39 39 GLN CB C 37 29.970 29.970 29.588 0.382 18511
4508 1 11 . 1 1 39 39 GLN H H 37 8.477 8.477 8.246 0.231 18511
4509 1 11 . 1 1 41 41 ARG HA H 39 4.228 4.228 4.196 0.032 18511
4510 1 11 . 1 1 41 41 ARG C C 39 174.776 174.776 176.457 -1.681 18511
4511 1 11 . 1 1 41 41 ARG CA C 39 57.143 57.143 57.231 -0.088 18511
4512 1 11 . 1 1 41 41 ARG CB C 39 30.504 30.504 30.152 0.352 18511
4513 1 11 . 1 1 42 42 VAL N N 40 119.931 119.931 120.558 -0.627 18511
4514 1 11 . 1 1 42 42 VAL HA H 40 4.602 4.602 4.215 0.387 18511
4515 1 11 . 1 1 42 42 VAL C C 40 174.854 174.854 175.035 -0.181 18511
4516 1 11 . 1 1 42 42 VAL CA C 40 61.663 61.663 62.180 -0.517 18511
4517 1 11 . 1 1 42 42 VAL CB C 40 32.800 32.800 30.938 1.862 18511
4518 1 11 . 1 1 42 42 VAL H H 40 7.662 7.662 7.938 -0.276 18511
4519 1 11 . 1 1 43 43 GLN N N 41 125.689 125.689 128.363 -2.674 18511
4520 1 11 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.622 -0.091 18511
4521 1 11 . 1 1 43 43 GLN C C 41 173.952 173.952 174.356 -0.404 18511
4522 1 11 . 1 1 43 43 GLN CA C 41 53.656 53.656 53.888 -0.232 18511
4523 1 11 . 1 1 43 43 GLN CB C 41 31.817 31.817 29.968 1.849 18511
4524 1 11 . 1 1 43 43 GLN H H 41 8.937 8.937 8.431 0.506 18511
4525 1 11 . 1 1 44 44 LEU N N 42 123.562 123.562 125.869 -2.307 18511
4526 1 11 . 1 1 44 44 LEU HA H 42 4.984 4.984 4.800 0.184 18511
4527 1 11 . 1 1 44 44 LEU C C 42 176.565 176.565 177.086 -0.521 18511
4528 1 11 . 1 1 44 44 LEU CA C 42 52.931 52.931 54.104 -1.173 18511
4529 1 11 . 1 1 44 44 LEU CB C 42 42.474 42.474 43.138 -0.664 18511
4530 1 11 . 1 1 44 44 LEU H H 42 8.231 8.231 8.526 -0.295 18511
4531 1 11 . 1 1 45 45 GLU N N 43 124.016 124.016 123.104 0.912 18511
4532 1 11 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.543 0.113 18511
4533 1 11 . 1 1 45 45 GLU C C 43 175.346 175.346 174.325 1.021 18511
4534 1 11 . 1 1 45 45 GLU CA C 43 54.723 54.723 55.192 -0.469 18511
4535 1 11 . 1 1 45 45 GLU CB C 43 32.841 32.841 32.408 0.433 18511
4536 1 11 . 1 1 45 45 GLU H H 43 9.309 9.309 8.352 0.957 18511
4537 1 11 . 1 1 46 46 GLN N N 44 125.220 125.220 126.413 -1.193 18511
4538 1 11 . 1 1 46 46 GLN HA H 44 4.928 4.928 4.859 0.069 18511
4539 1 11 . 1 1 46 46 GLN C C 44 174.332 174.332 174.835 -0.503 18511
4540 1 11 . 1 1 46 46 GLN CA C 44 54.832 54.832 55.103 -0.271 18511
4541 1 11 . 1 1 46 46 GLN CB C 44 30.726 30.726 29.241 1.485 18511
4542 1 11 . 1 1 46 46 GLN H H 44 8.825 8.825 8.766 0.059 18511
4543 1 11 . 1 1 47 47 ALA N N 45 129.999 129.999 129.598 0.401 18511
4544 1 11 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.670 0.002 18511
4545 1 11 . 1 1 47 47 ALA C C 45 177.056 177.056 176.847 0.209 18511
4546 1 11 . 1 1 47 47 ALA CA C 45 50.716 50.716 51.063 -0.347 18511
4547 1 11 . 1 1 47 47 ALA CB C 45 18.798 18.798 20.832 -2.034 18511
4548 1 11 . 1 1 47 47 ALA H H 45 8.636 8.636 8.223 0.413 18511
4549 1 11 . 1 1 48 48 GLY CA C 46 46.885 46.885 46.680 0.205 18511
4550 1 11 . 1 1 49 49 ALA HA H 47 4.183 4.183 4.782 -0.599 18511
4551 1 11 . 1 1 49 49 ALA C C 47 176.586 176.586 176.861 -0.275 18511
4552 1 11 . 1 1 49 49 ALA CA C 47 53.068 53.068 51.670 1.398 18511
4553 1 11 . 1 1 49 49 ALA CB C 47 18.714 18.714 18.894 -0.180 18511
4554 1 11 . 1 1 50 50 ARG N N 48 119.282 119.282 118.029 1.253 18511
4555 1 11 . 1 1 50 50 ARG HA H 48 4.635 4.635 5.026 -0.391 18511
4556 1 11 . 1 1 50 50 ARG C C 48 174.348 174.348 174.213 0.135 18511
4557 1 11 . 1 1 50 50 ARG CA C 48 55.672 55.672 54.828 0.844 18511
4558 1 11 . 1 1 50 50 ARG CB C 48 31.413 31.413 33.468 -2.055 18511
4559 1 11 . 1 1 50 50 ARG H H 48 7.725 7.725 7.559 0.166 18511
4560 1 11 . 1 1 51 51 GLN N N 49 125.499 125.499 121.190 4.309 18511
4561 1 11 . 1 1 51 51 GLN HA H 49 4.961 4.961 5.407 -0.446 18511
4562 1 11 . 1 1 51 51 GLN C C 49 174.427 174.427 174.509 -0.082 18511
4563 1 11 . 1 1 51 51 GLN CA C 49 53.404 53.404 53.732 -0.328 18511
4564 1 11 . 1 1 51 51 GLN CB C 49 30.133 30.133 33.280 -3.147 18511
4565 1 11 . 1 1 51 51 GLN H H 49 9.086 9.086 8.101 0.985 18511
4566 1 11 . 1 1 52 52 VAL N N 50 121.957 121.957 119.778 2.179 18511
4567 1 11 . 1 1 52 52 VAL HA H 50 5.185 5.185 5.290 -0.105 18511
4568 1 11 . 1 1 52 52 VAL C C 50 173.714 173.714 173.774 -0.060 18511
4569 1 11 . 1 1 52 52 VAL CA C 50 60.314 60.314 60.333 -0.019 18511
4570 1 11 . 1 1 52 52 VAL CB C 50 36.154 36.154 35.863 0.291 18511
4571 1 11 . 1 1 52 52 VAL H H 50 8.687 8.687 8.710 -0.023 18511
4572 1 11 . 1 1 53 53 LEU N N 51 129.580 129.580 127.280 2.300 18511
4573 1 11 . 1 1 53 53 LEU HA H 51 4.389 4.389 4.410 -0.021 18511
4574 1 11 . 1 1 53 53 LEU C C 51 174.427 174.427 174.146 0.281 18511
4575 1 11 . 1 1 53 53 LEU CA C 51 53.536 53.536 52.926 0.610 18511
4576 1 11 . 1 1 53 53 LEU CB C 51 42.056 42.056 43.121 -1.065 18511
4577 1 11 . 1 1 53 53 LEU H H 51 8.380 8.380 7.833 0.547 18511
4578 1 11 . 1 1 54 54 ARG N N 52 125.706 125.706 127.468 -1.762 18511
4579 1 11 . 1 1 54 54 ARG HA H 52 5.255 5.255 5.149 0.106 18511
4580 1 11 . 1 1 54 54 ARG C C 52 174.981 174.981 175.351 -0.370 18511
4581 1 11 . 1 1 54 54 ARG CA C 52 53.992 53.992 54.204 -0.212 18511
4582 1 11 . 1 1 54 54 ARG CB C 52 33.497 33.497 31.612 1.885 18511
4583 1 11 . 1 1 54 54 ARG H H 52 8.956 8.956 8.487 0.469 18511
4584 1 11 . 1 1 55 55 VAL N N 53 123.212 123.212 126.084 -2.872 18511
4585 1 11 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.207 0.411 18511
4586 1 11 . 1 1 55 55 VAL C C 53 175.124 175.124 175.065 0.059 18511
4587 1 11 . 1 1 55 55 VAL CA C 53 61.092 61.092 62.016 -0.923 18511
4588 1 11 . 1 1 55 55 VAL CB C 53 34.527 34.527 31.180 3.347 18511
4589 1 11 . 1 1 55 55 VAL H H 53 8.511 8.511 8.464 0.047 18511
4590 1 11 . 1 1 56 56 GLN N N 54 126.653 126.653 129.082 -2.429 18511
4591 1 11 . 1 1 56 56 GLN HA H 54 4.518 4.518 3.993 0.525 18511
4592 1 11 . 1 1 56 56 GLN C C 54 176.296 176.296 176.534 -0.238 18511
4593 1 11 . 1 1 56 56 GLN CA C 54 55.022 55.022 57.022 -2.000 18511
4594 1 11 . 1 1 56 56 GLN CB C 54 29.749 29.749 29.180 0.569 18511
4595 1 11 . 1 1 56 56 GLN H H 54 8.509 8.509 8.358 0.151 18511
4596 1 11 . 1 1 57 57 GLY N N 55 114.559 114.559 113.140 1.419 18511
4597 1 11 . 1 1 57 57 GLY C C 55 174.585 174.585 173.676 0.909 18511
4598 1 11 . 1 1 57 57 GLY CA C 55 47.319 47.319 44.821 2.498 18511
4599 1 11 . 1 1 57 57 GLY H H 55 8.420 8.420 8.153 0.267 18511
4600 1 11 . 1 1 58 58 ALA N N 56 122.793 122.793 123.524 -0.731 18511
4601 1 11 . 1 1 58 58 ALA HA H 56 4.088 4.088 4.218 -0.130 18511
4602 1 11 . 1 1 58 58 ALA C C 56 177.120 177.120 176.087 1.033 18511
4603 1 11 . 1 1 58 58 ALA CA C 56 53.051 53.051 52.484 0.567 18511
4604 1 11 . 1 1 58 58 ALA CB C 56 18.051 18.051 19.224 -1.173 18511
4605 1 11 . 1 1 58 58 ALA H H 56 8.977 8.977 7.863 1.114 18511
4606 1 11 . 1 1 59 59 ARG N N 57 122.118 122.118 124.950 -2.832 18511
4607 1 11 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.418 0.333 18511
4608 1 11 . 1 1 59 59 ARG C C 57 177.231 177.231 175.551 1.680 18511
4609 1 11 . 1 1 59 59 ARG CA C 57 53.236 53.236 56.022 -2.786 18511
4610 1 11 . 1 1 59 59 ARG CB C 57 33.526 33.526 33.325 0.201 18511
4611 1 11 . 1 1 59 59 ARG H H 57 9.709 9.709 8.476 1.233 18511
4612 1 11 . 1 1 61 61 GLY C C 59 174.202 174.202 174.526 -0.324 18511
4613 1 11 . 1 1 61 61 GLY CA C 59 45.899 45.899 45.751 0.148 18511
4614 1 11 . 1 1 62 62 ASP N N 60 116.489 116.489 122.430 -5.941 18511
4615 1 11 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.472 0.199 18511
4616 1 11 . 1 1 62 62 ASP C C 60 176.692 176.692 175.950 0.742 18511
4617 1 11 . 1 1 62 62 ASP CA C 60 54.854 54.854 55.965 -1.111 18511
4618 1 11 . 1 1 62 62 ASP CB C 60 41.130 41.130 41.265 -0.135 18511
4619 1 11 . 1 1 62 62 ASP H H 60 8.300 8.300 7.610 0.690 18511
4620 1 11 . 1 1 63 63 ALA N N 61 122.793 122.793 121.823 0.970 18511
4621 1 11 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.389 -0.284 18511
4622 1 11 . 1 1 63 63 ALA C C 61 176.581 176.581 176.723 -0.142 18511
4623 1 11 . 1 1 63 63 ALA CA C 61 52.732 52.732 52.888 -0.156 18511
4624 1 11 . 1 1 63 63 ALA CB C 61 19.806 19.806 18.331 1.474 18511
4625 1 11 . 1 1 63 63 ALA H H 61 7.551 7.551 7.606 -0.055 18511
4626 1 11 . 1 1 64 64 GLY N N 62 108.029 108.029 111.437 -3.408 18511
4627 1 11 . 1 1 64 64 GLY C C 62 171.274 171.274 172.414 -1.140 18511
4628 1 11 . 1 1 64 64 GLY CA C 62 44.826 44.826 44.880 -0.054 18511
4629 1 11 . 1 1 64 64 GLY H H 62 8.720 8.720 7.809 0.911 18511
4630 1 11 . 1 1 65 65 GLU N N 63 122.343 122.343 120.804 1.539 18511
4631 1 11 . 1 1 65 65 GLU HA H 63 5.134 5.134 5.315 -0.181 18511
4632 1 11 . 1 1 65 65 GLU C C 63 175.900 175.900 175.969 -0.069 18511
4633 1 11 . 1 1 65 65 GLU CA C 63 55.309 55.309 55.374 -0.065 18511
4634 1 11 . 1 1 65 65 GLU CB C 63 31.183 31.183 29.750 1.433 18511
4635 1 11 . 1 1 65 65 GLU H H 63 9.038 9.038 8.697 0.341 18511
4636 1 11 . 1 1 66 66 TYR N N 64 128.776 128.776 124.877 3.899 18511
4637 1 11 . 1 1 66 66 TYR HA H 64 5.769 5.769 5.255 0.514 18511
4638 1 11 . 1 1 66 66 TYR C C 64 174.157 174.157 176.029 -1.872 18511
4639 1 11 . 1 1 66 66 TYR CA C 64 56.596 56.596 57.221 -0.625 18511
4640 1 11 . 1 1 66 66 TYR CB C 64 40.857 40.857 39.452 1.405 18511
4641 1 11 . 1 1 66 66 TYR H H 64 9.984 9.984 8.864 1.120 18511
4642 1 11 . 1 1 67 67 LEU N N 65 125.560 125.560 126.928 -1.368 18511
4643 1 11 . 1 1 67 67 LEU HA H 65 5.360 5.360 5.040 0.320 18511
4644 1 11 . 1 1 67 67 LEU C C 65 174.617 174.617 176.257 -1.640 18511
4645 1 11 . 1 1 67 67 LEU CA C 65 53.294 53.294 53.799 -0.505 18511
4646 1 11 . 1 1 67 67 LEU CB C 65 46.296 46.296 42.726 3.570 18511
4647 1 11 . 1 1 67 67 LEU H H 65 9.385 9.385 9.247 0.138 18511
4648 1 11 . 1 1 68 68 CYS N N 66 127.135 127.135 128.819 -1.684 18511
4649 1 11 . 1 1 68 68 CYS HA H 66 3.994 3.994 3.716 0.278 18511
4650 1 11 . 1 1 68 68 CYS C C 66 172.383 172.383 173.557 -1.174 18511
4651 1 11 . 1 1 68 68 CYS CA C 66 57.828 57.828 57.539 0.289 18511
4652 1 11 . 1 1 68 68 CYS CB C 66 26.535 26.535 26.343 0.192 18511
4653 1 11 . 1 1 68 68 CYS H H 66 9.102 9.102 8.943 0.159 18511
4654 1 11 . 1 1 69 69 ASP N N 67 129.420 129.420 129.162 0.258 18511
4655 1 11 . 1 1 69 69 ASP HA H 67 4.953 4.953 4.774 0.179 18511
4656 1 11 . 1 1 69 69 ASP C C 67 173.128 173.128 174.087 -0.959 18511
4657 1 11 . 1 1 69 69 ASP CA C 67 53.459 53.459 53.343 0.116 18511
4658 1 11 . 1 1 69 69 ASP CB C 67 44.249 44.249 43.030 1.219 18511
4659 1 11 . 1 1 69 69 ASP H H 67 9.296 9.296 8.685 0.611 18511
4660 1 11 . 1 1 70 70 ALA N N 68 129.162 129.162 128.690 0.472 18511
4661 1 11 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.855 0.199 18511
4662 1 11 . 1 1 70 70 ALA C C 68 175.108 175.108 176.212 -1.104 18511
4663 1 11 . 1 1 70 70 ALA CA C 68 49.404 49.404 48.634 0.770 18511
4664 1 11 . 1 1 70 70 ALA CB C 68 21.402 21.402 20.027 1.375 18511
4665 1 11 . 1 1 70 70 ALA H H 68 8.179 8.179 8.262 -0.083 18511
4666 1 11 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.131 0.034 18511
4667 1 11 . 1 1 71 71 PRO C C 69 177.840 177.840 177.624 0.216 18511
4668 1 11 . 1 1 71 71 PRO CA C 69 65.906 65.906 64.546 1.360 18511
4669 1 11 . 1 1 71 71 PRO CB C 69 31.744 31.744 31.924 -0.180 18511
4670 1 11 . 1 1 72 72 GLN N N 70 113.851 113.851 118.404 -4.553 18511
4671 1 11 . 1 1 72 72 GLN HA H 70 4.363 4.363 4.226 0.137 18511
4672 1 11 . 1 1 72 72 GLN C C 70 174.744 174.744 175.150 -0.406 18511
4673 1 11 . 1 1 72 72 GLN CA C 70 55.239 55.239 56.773 -1.534 18511
4674 1 11 . 1 1 72 72 GLN CB C 70 29.355 29.355 29.430 -0.075 18511
4675 1 11 . 1 1 72 72 GLN H H 70 9.053 9.053 8.286 0.767 18511
4676 1 11 . 1 1 73 73 ASP N N 71 118.081 118.081 118.699 -0.618 18511
4677 1 11 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.916 -0.092 18511
4678 1 11 . 1 1 73 73 ASP C C 71 173.017 173.017 174.661 -1.644 18511
4679 1 11 . 1 1 73 73 ASP CA C 71 53.992 53.992 53.324 0.668 18511
4680 1 11 . 1 1 73 73 ASP CB C 71 44.449 44.449 43.624 0.825 18511
4681 1 11 . 1 1 73 73 ASP H H 71 7.336 7.336 8.231 -0.895 18511
4682 1 11 . 1 1 74 74 SER N N 72 114.356 114.356 116.925 -2.569 18511
4683 1 11 . 1 1 74 74 SER HA H 72 5.209 5.209 5.110 0.099 18511
4684 1 11 . 1 1 74 74 SER C C 72 174.189 174.189 174.083 0.106 18511
4685 1 11 . 1 1 74 74 SER CA C 72 57.604 57.604 57.237 0.367 18511
4686 1 11 . 1 1 74 74 SER CB C 72 64.697 64.697 64.030 0.667 18511
4687 1 11 . 1 1 74 74 SER H H 72 8.161 8.161 8.566 -0.405 18511
4688 1 11 . 1 1 75 75 ARG N N 73 122.793 122.793 126.682 -3.889 18511
4689 1 11 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.724 -0.028 18511
4690 1 11 . 1 1 75 75 ARG C C 73 173.460 173.460 174.685 -1.225 18511
4691 1 11 . 1 1 75 75 ARG CA C 73 53.404 53.404 54.471 -1.067 18511
4692 1 11 . 1 1 75 75 ARG CB C 73 33.600 33.600 32.077 1.523 18511
4693 1 11 . 1 1 75 75 ARG H H 73 8.592 8.592 8.364 0.228 18511
4694 1 11 . 1 1 76 76 ILE N N 74 122.343 122.343 123.968 -1.625 18511
4695 1 11 . 1 1 76 76 ILE HA H 74 5.154 5.154 4.457 0.697 18511
4696 1 11 . 1 1 76 76 ILE C C 74 175.266 175.266 175.293 -0.027 18511
4697 1 11 . 1 1 76 76 ILE CA C 74 59.620 59.620 61.382 -1.762 18511
4698 1 11 . 1 1 76 76 ILE CB C 74 40.889 40.889 38.970 1.919 18511
4699 1 11 . 1 1 76 76 ILE H H 74 8.262 8.262 8.774 -0.512 18511
4700 1 11 . 1 1 77 77 PHE N N 75 126.428 126.428 127.270 -0.842 18511
4701 1 11 . 1 1 77 77 PHE HA H 75 5.524 5.524 5.143 0.381 18511
4702 1 11 . 1 1 77 77 PHE C C 75 174.680 174.680 175.543 -0.863 18511
4703 1 11 . 1 1 77 77 PHE CA C 75 55.570 55.570 55.990 -0.420 18511
4704 1 11 . 1 1 77 77 PHE CB C 75 42.186 42.186 39.837 2.349 18511
4705 1 11 . 1 1 77 77 PHE H H 75 9.932 9.932 8.918 1.014 18511
4706 1 11 . 1 1 78 78 LEU N N 76 126.068 126.068 126.895 -0.827 18511
4707 1 11 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.511 0.613 18511
4708 1 11 . 1 1 78 78 LEU C C 76 176.138 176.138 176.058 0.080 18511
4709 1 11 . 1 1 78 78 LEU CA C 76 53.799 53.799 54.578 -0.778 18511
4710 1 11 . 1 1 78 78 LEU CB C 76 41.851 41.851 41.142 0.710 18511
4711 1 11 . 1 1 78 78 LEU H H 76 9.091 9.091 8.900 0.191 18511
4712 1 11 . 1 1 79 79 VAL N N 77 129.130 129.130 127.378 1.752 18511
4713 1 11 . 1 1 79 79 VAL HA H 77 5.109 5.109 5.196 -0.087 18511
4714 1 11 . 1 1 79 79 VAL C C 77 176.597 176.597 176.097 0.500 18511
4715 1 11 . 1 1 79 79 VAL CA C 77 61.384 61.384 61.685 -0.301 18511
4716 1 11 . 1 1 79 79 VAL CB C 77 33.846 33.846 33.443 0.403 18511
4717 1 11 . 1 1 79 79 VAL H H 77 9.408 9.408 8.134 1.274 18511
4718 1 11 . 1 1 80 80 SER N N 78 124.016 124.016 123.427 0.589 18511
4719 1 11 . 1 1 80 80 SER HA H 78 4.908 4.908 4.812 0.096 18511
4720 1 11 . 1 1 80 80 SER C C 78 172.431 172.431 173.243 -0.812 18511
4721 1 11 . 1 1 80 80 SER CA C 78 56.344 56.344 56.872 -0.528 18511
4722 1 11 . 1 1 80 80 SER CB C 78 65.164 65.164 64.841 0.324 18511
4723 1 11 . 1 1 80 80 SER H H 78 9.125 9.125 8.355 0.770 18511
4724 1 11 . 1 1 81 81 VAL N N 79 124.402 124.402 127.143 -2.741 18511
4725 1 11 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.243 0.292 18511
4726 1 11 . 1 1 81 81 VAL C C 79 174.744 174.744 176.044 -1.300 18511
4727 1 11 . 1 1 81 81 VAL CA C 79 61.028 61.028 62.616 -1.588 18511
4728 1 11 . 1 1 81 81 VAL CB C 79 32.741 32.741 31.090 1.651 18511
4729 1 11 . 1 1 81 81 VAL H H 79 8.638 8.638 8.955 -0.317 18511
4730 1 11 . 1 1 82 82 GLU N N 80 124.145 124.145 125.140 -0.995 18511
4731 1 11 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.455 0.106 18511
4732 1 11 . 1 1 82 82 GLU C C 80 174.839 174.839 175.471 -0.632 18511
4733 1 11 . 1 1 82 82 GLU CA C 80 54.664 54.664 56.070 -1.406 18511
4734 1 11 . 1 1 82 82 GLU CB C 80 32.237 32.237 30.064 2.173 18511
4735 1 11 . 1 1 82 82 GLU H H 80 8.281 8.281 8.359 -0.078 18511
4736 1 11 . 1 1 83 83 GLU N N 81 123.244 123.244 121.754 1.490 18511
4737 1 11 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.785 -0.346 18511
4738 1 11 . 1 1 83 83 GLU C C 81 173.841 173.841 174.138 -0.297 18511
4739 1 11 . 1 1 83 83 GLU CA C 81 54.611 54.611 53.004 1.607 18511
4740 1 11 . 1 1 83 83 GLU CB C 81 29.046 29.046 30.350 -1.304 18511
4741 1 11 . 1 1 83 83 GLU H H 81 8.656 8.656 7.947 0.709 18511
4742 1 12 . 1 1 4 4 THR N N 2 121.282 121.282 119.704 1.578 18511
4743 1 12 . 1 1 4 4 THR HA H 2 4.463 4.463 4.116 0.347 18511
4744 1 12 . 1 1 4 4 THR C C 2 173.255 173.255 173.694 -0.439 18511
4745 1 12 . 1 1 4 4 THR CA C 2 62.056 62.056 62.561 -0.505 18511
4746 1 12 . 1 1 4 4 THR CB C 2 70.955 70.955 66.980 3.975 18511
4747 1 12 . 1 1 4 4 THR H H 2 8.319 8.319 8.238 0.081 18511
4748 1 12 . 1 1 5 5 ARG N N 3 127.535 127.535 127.552 -0.017 18511
4749 1 12 . 1 1 5 5 ARG HA H 3 5.083 5.083 4.724 0.359 18511
4750 1 12 . 1 1 5 5 ARG C C 3 175.694 175.694 175.308 0.386 18511
4751 1 12 . 1 1 5 5 ARG CA C 3 55.236 55.236 54.809 0.428 18511
4752 1 12 . 1 1 5 5 ARG CB C 3 30.776 30.776 31.253 -0.477 18511
4753 1 12 . 1 1 5 5 ARG H H 3 8.958 8.958 7.867 1.091 18511
4754 1 12 . 1 1 6 6 VAL N N 4 125.495 125.495 126.685 -1.190 18511
4755 1 12 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.353 -0.021 18511
4756 1 12 . 1 1 6 6 VAL C C 4 173.365 173.365 174.314 -0.949 18511
4757 1 12 . 1 1 6 6 VAL CA C 4 61.473 61.473 60.931 0.542 18511
4758 1 12 . 1 1 6 6 VAL CB C 4 35.854 35.854 34.548 1.306 18511
4759 1 12 . 1 1 6 6 VAL H H 4 8.812 8.812 8.447 0.365 18511
4760 1 12 . 1 1 7 7 ARG N N 5 127.554 127.554 128.791 -1.237 18511
4761 1 12 . 1 1 7 7 ARG HA H 5 5.175 5.175 4.942 0.233 18511
4762 1 12 . 1 1 7 7 ARG C C 5 175.694 175.694 175.479 0.215 18511
4763 1 12 . 1 1 7 7 ARG CA C 5 54.373 54.373 55.653 -1.280 18511
4764 1 12 . 1 1 7 7 ARG CB C 5 31.679 31.679 31.757 -0.078 18511
4765 1 12 . 1 1 7 7 ARG H H 5 8.712 8.712 8.682 0.030 18511
4766 1 12 . 1 1 8 8 SER N N 6 120.281 120.281 119.280 1.001 18511
4767 1 12 . 1 1 8 8 SER HA H 6 4.762 4.762 4.766 -0.004 18511
4768 1 12 . 1 1 8 8 SER C C 6 173.555 173.555 172.946 0.609 18511
4769 1 12 . 1 1 8 8 SER CA C 6 56.428 56.428 56.915 -0.487 18511
4770 1 12 . 1 1 8 8 SER CB C 6 65.450 65.450 66.005 -0.555 18511
4771 1 12 . 1 1 8 8 SER H H 6 8.669 8.669 8.990 -0.321 18511
4772 1 12 . 1 1 9 9 THR N N 7 117.885 117.885 115.729 2.156 18511
4773 1 12 . 1 1 9 9 THR HA H 7 4.847 4.847 5.415 -0.568 18511
4774 1 12 . 1 1 9 9 THR C C 7 172.748 172.748 173.007 -0.259 18511
4775 1 12 . 1 1 9 9 THR CA C 7 59.436 59.436 58.457 0.979 18511
4776 1 12 . 1 1 9 9 THR CB C 7 69.938 69.938 69.817 0.121 18511
4777 1 12 . 1 1 9 9 THR H H 7 8.362 8.362 8.480 -0.118 18511
4778 1 12 . 1 1 10 10 PRO HA H 8 4.060 4.060 4.602 -0.542 18511
4779 1 12 . 1 1 10 10 PRO C C 8 177.966 177.966 177.407 0.559 18511
4780 1 12 . 1 1 10 10 PRO CA C 8 63.484 63.484 62.475 1.009 18511
4781 1 12 . 1 1 10 10 PRO CB C 8 30.986 30.986 31.923 -0.937 18511
4782 1 12 . 1 1 11 11 GLY N N 9 114.800 114.800 113.503 1.297 18511
4783 1 12 . 1 1 11 11 GLY C C 9 174.870 174.870 173.663 1.207 18511
4784 1 12 . 1 1 11 11 GLY CA C 9 45.147 45.147 44.970 0.177 18511
4785 1 12 . 1 1 11 11 GLY H H 9 9.824 9.824 8.403 1.421 18511
4786 1 12 . 1 1 12 12 GLY N N 10 109.721 109.721 109.587 0.134 18511
4787 1 12 . 1 1 12 12 GLY C C 10 171.924 171.924 171.963 -0.039 18511
4788 1 12 . 1 1 12 12 GLY CA C 10 43.913 43.913 46.115 -2.202 18511
4789 1 12 . 1 1 12 12 GLY H H 10 8.172 8.172 8.063 0.109 18511
4790 1 12 . 1 1 13 13 ASP N N 11 119.275 119.275 120.746 -1.471 18511
4791 1 12 . 1 1 13 13 ASP HA H 11 5.316 5.316 4.782 0.534 18511
4792 1 12 . 1 1 13 13 ASP C C 11 176.185 176.185 174.937 1.248 18511
4793 1 12 . 1 1 13 13 ASP CA C 11 53.404 53.404 53.699 -0.295 18511
4794 1 12 . 1 1 13 13 ASP CB C 11 41.309 41.309 43.627 -2.318 18511
4795 1 12 . 1 1 13 13 ASP H H 11 8.442 8.442 8.115 0.327 18511
4796 1 12 . 1 1 14 14 LEU N N 12 125.431 125.431 126.658 -1.227 18511
4797 1 12 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.596 -0.170 18511
4798 1 12 . 1 1 14 14 LEU C C 12 174.934 174.934 174.947 -0.013 18511
4799 1 12 . 1 1 14 14 LEU CA C 12 53.697 53.697 54.080 -0.383 18511
4800 1 12 . 1 1 14 14 LEU CB C 12 44.170 44.170 43.374 0.795 18511
4801 1 12 . 1 1 14 14 LEU H H 12 8.889 8.889 8.282 0.607 18511
4802 1 12 . 1 1 15 15 GLU N N 13 126.203 126.203 128.051 -1.848 18511
4803 1 12 . 1 1 15 15 GLU HA H 13 4.901 4.901 4.715 0.186 18511
4804 1 12 . 1 1 15 15 GLU C C 13 173.555 173.555 175.312 -1.757 18511
4805 1 12 . 1 1 15 15 GLU CA C 13 55.168 55.168 54.849 0.319 18511
4806 1 12 . 1 1 15 15 GLU CB C 13 32.489 32.489 30.921 1.568 18511
4807 1 12 . 1 1 15 15 GLU H H 13 8.469 8.469 8.580 -0.111 18511
4808 1 12 . 1 1 16 16 LEU N N 14 127.480 127.480 130.117 -2.637 18511
4809 1 12 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.677 -0.455 18511
4810 1 12 . 1 1 16 16 LEU C C 14 174.221 174.221 175.499 -1.278 18511
4811 1 12 . 1 1 16 16 LEU CA C 14 52.900 52.900 53.730 -0.830 18511
4812 1 12 . 1 1 16 16 LEU CB C 14 40.861 40.861 42.528 -1.667 18511
4813 1 12 . 1 1 16 16 LEU H H 14 9.082 9.082 8.628 0.454 18511
4814 1 12 . 1 1 17 17 VAL N N 15 122.038 122.038 125.347 -3.309 18511
4815 1 12 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.395 0.366 18511
4816 1 12 . 1 1 17 17 VAL C C 15 175.330 175.330 175.959 -0.629 18511
4817 1 12 . 1 1 17 17 VAL CA C 15 61.468 61.468 61.773 -0.305 18511
4818 1 12 . 1 1 17 17 VAL CB C 15 33.749 33.749 32.757 0.992 18511
4819 1 12 . 1 1 17 17 VAL H H 15 8.105 8.105 8.485 -0.380 18511
4820 1 12 . 1 1 18 18 VAL N N 16 127.741 127.741 126.535 1.206 18511
4821 1 12 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.550 -0.265 18511
4822 1 12 . 1 1 18 18 VAL C C 16 173.555 173.555 175.825 -2.270 18511
4823 1 12 . 1 1 18 18 VAL CA C 16 61.020 61.020 61.735 -0.715 18511
4824 1 12 . 1 1 18 18 VAL CB C 16 35.604 35.604 33.247 2.357 18511
4825 1 12 . 1 1 18 18 VAL H H 16 9.335 9.335 8.077 1.258 18511
4826 1 12 . 1 1 19 19 HIS N N 17 126.695 126.695 123.411 3.284 18511
4827 1 12 . 1 1 19 19 HIS HA H 17 5.023 5.023 4.708 0.315 18511
4828 1 12 . 1 1 19 19 HIS C C 17 175.710 175.710 175.305 0.405 18511
4829 1 12 . 1 1 19 19 HIS CA C 17 55.225 55.225 55.642 -0.417 18511
4830 1 12 . 1 1 19 19 HIS CB C 17 30.418 30.418 31.023 -0.605 18511
4831 1 12 . 1 1 19 19 HIS H H 17 8.710 8.710 8.746 -0.036 18511
4832 1 12 . 1 1 20 20 LEU N N 18 124.981 124.981 116.834 8.147 18511
4833 1 12 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.071 0.240 18511
4834 1 12 . 1 1 20 20 LEU C C 18 177.357 177.357 176.605 0.752 18511
4835 1 12 . 1 1 20 20 LEU CA C 18 54.162 54.162 55.544 -1.382 18511
4836 1 12 . 1 1 20 20 LEU CB C 18 43.005 43.005 42.275 0.730 18511
4837 1 12 . 1 1 20 20 LEU H H 18 8.941 8.941 7.911 1.030 18511
4838 1 12 . 1 1 21 21 SER N N 19 116.428 116.428 116.557 -0.129 18511
4839 1 12 . 1 1 21 21 SER HA H 19 4.280 4.280 4.606 -0.326 18511
4840 1 12 . 1 1 21 21 SER C C 19 174.348 174.348 174.494 -0.146 18511
4841 1 12 . 1 1 21 21 SER CA C 19 59.696 59.696 58.872 0.824 18511
4842 1 12 . 1 1 21 21 SER CB C 19 63.364 63.364 64.873 -1.509 18511
4843 1 12 . 1 1 21 21 SER H H 19 9.513 9.513 8.658 0.855 18511
4844 1 12 . 1 1 22 22 GLY N N 20 107.975 107.975 110.211 -2.236 18511
4845 1 12 . 1 1 22 22 GLY C C 20 171.306 171.306 171.880 -0.574 18511
4846 1 12 . 1 1 22 22 GLY CA C 20 44.193 44.193 42.964 1.229 18511
4847 1 12 . 1 1 22 22 GLY H H 20 7.532 7.532 7.856 -0.324 18511
4848 1 12 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.406 -0.043 18511
4849 1 12 . 1 1 23 23 PRO C C 21 177.141 177.141 176.098 1.043 18511
4850 1 12 . 1 1 23 23 PRO CA C 21 63.096 63.096 62.139 0.957 18511
4851 1 12 . 1 1 23 23 PRO CB C 21 32.105 32.105 31.178 0.926 18511
4852 1 12 . 1 1 24 24 GLY N N 22 107.827 107.827 111.910 -4.083 18511
4853 1 12 . 1 1 24 24 GLY C C 22 173.270 173.270 173.296 -0.026 18511
4854 1 12 . 1 1 24 24 GLY CA C 22 45.013 45.013 45.323 -0.310 18511
4855 1 12 . 1 1 24 24 GLY H H 22 8.264 8.264 7.644 0.620 18511
4856 1 12 . 1 1 25 25 GLY N N 23 108.700 108.700 108.098 0.602 18511
4857 1 12 . 1 1 25 25 GLY C C 23 170.292 170.292 173.144 -2.852 18511
4858 1 12 . 1 1 25 25 GLY CA C 23 43.573 43.573 43.460 0.113 18511
4859 1 12 . 1 1 25 25 GLY H H 23 7.797 7.797 8.302 -0.505 18511
4860 1 12 . 1 1 26 26 PRO HA H 24 4.574 4.574 4.515 0.059 18511
4861 1 12 . 1 1 26 26 PRO C C 24 175.331 175.331 175.982 -0.651 18511
4862 1 12 . 1 1 26 26 PRO CA C 24 62.105 62.105 62.497 -0.392 18511
4863 1 12 . 1 1 26 26 PRO CB C 24 34.842 34.842 32.362 2.479 18511
4864 1 12 . 1 1 27 27 VAL N N 25 121.565 121.565 124.902 -3.337 18511
4865 1 12 . 1 1 27 27 VAL HA H 25 4.662 4.662 4.433 0.229 18511
4866 1 12 . 1 1 27 27 VAL C C 25 175.742 175.742 176.049 -0.307 18511
4867 1 12 . 1 1 27 27 VAL CA C 25 61.384 61.384 61.634 -0.250 18511
4868 1 12 . 1 1 27 27 VAL CB C 25 32.971 32.971 32.357 0.614 18511
4869 1 12 . 1 1 27 27 VAL H H 25 8.579 8.579 8.322 0.257 18511
4870 1 12 . 1 1 28 28 ARG N N 26 127.876 127.876 127.697 0.179 18511
4871 1 12 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.535 0.047 18511
4872 1 12 . 1 1 28 28 ARG C C 26 173.144 173.144 175.109 -1.965 18511
4873 1 12 . 1 1 28 28 ARG CA C 26 54.861 54.861 54.483 0.378 18511
4874 1 12 . 1 1 28 28 ARG CB C 26 34.589 34.589 32.687 1.902 18511
4875 1 12 . 1 1 28 28 ARG H H 26 8.856 8.856 8.549 0.307 18511
4876 1 12 . 1 1 29 29 TRP N N 27 121.571 121.571 121.871 -0.300 18511
4877 1 12 . 1 1 29 29 TRP HA H 27 5.986 5.986 5.186 0.800 18511
4878 1 12 . 1 1 29 29 TRP C C 27 175.932 175.932 175.991 -0.059 18511
4879 1 12 . 1 1 29 29 TRP CA C 27 55.504 55.504 56.047 -0.543 18511
4880 1 12 . 1 1 29 29 TRP CB C 27 32.584 32.584 31.479 1.105 18511
4881 1 12 . 1 1 29 29 TRP H H 27 8.858 8.858 8.506 0.352 18511
4882 1 12 . 1 1 30 30 TYR N N 28 118.451 118.451 122.201 -3.750 18511
4883 1 12 . 1 1 30 30 TYR HA H 28 5.332 5.332 4.901 0.431 18511
4884 1 12 . 1 1 30 30 TYR C C 28 175.108 175.108 174.447 0.661 18511
4885 1 12 . 1 1 30 30 TYR CA C 28 55.924 55.924 56.945 -1.021 18511
4886 1 12 . 1 1 30 30 TYR CB C 28 43.194 43.194 41.950 1.244 18511
4887 1 12 . 1 1 30 30 TYR H H 28 9.605 9.605 8.816 0.789 18511
4888 1 12 . 1 1 31 31 LYS N N 29 120.638 120.638 122.088 -1.450 18511
4889 1 12 . 1 1 31 31 LYS HA H 29 4.790 4.790 4.531 0.259 18511
4890 1 12 . 1 1 31 31 LYS C C 29 176.565 176.565 176.844 -0.279 18511
4891 1 12 . 1 1 31 31 LYS CA C 29 54.496 54.496 54.100 0.396 18511
4892 1 12 . 1 1 31 31 LYS CB C 29 35.345 35.345 34.110 1.235 18511
4893 1 12 . 1 1 31 31 LYS H H 29 9.055 9.055 8.833 0.222 18511
4894 1 12 . 1 1 32 32 ASP N N 30 131.009 131.009 127.982 3.027 18511
4895 1 12 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.268 0.178 18511
4896 1 12 . 1 1 32 32 ASP C C 30 176.344 176.344 176.059 0.285 18511
4897 1 12 . 1 1 32 32 ASP CA C 30 55.846 55.846 55.629 0.217 18511
4898 1 12 . 1 1 32 32 ASP CB C 30 40.289 40.289 39.683 0.606 18511
4899 1 12 . 1 1 32 32 ASP H H 30 10.006 10.006 8.985 1.021 18511
4900 1 12 . 1 1 33 33 GLY N N 31 102.658 102.658 104.166 -1.508 18511
4901 1 12 . 1 1 33 33 GLY C C 31 173.809 173.809 173.408 0.401 18511
4902 1 12 . 1 1 33 33 GLY CA C 31 45.127 45.127 44.919 0.208 18511
4903 1 12 . 1 1 33 33 GLY H H 31 8.903 8.903 8.651 0.252 18511
4904 1 12 . 1 1 34 34 GLU N N 32 121.796 121.796 120.606 1.190 18511
4905 1 12 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.825 -0.083 18511
4906 1 12 . 1 1 34 34 GLU C C 32 175.789 175.789 175.174 0.615 18511
4907 1 12 . 1 1 34 34 GLU CA C 32 54.496 54.496 54.792 -0.297 18511
4908 1 12 . 1 1 34 34 GLU CB C 32 31.161 31.161 32.313 -1.152 18511
4909 1 12 . 1 1 34 34 GLU H H 32 8.152 8.152 7.852 0.300 18511
4910 1 12 . 1 1 35 35 ARG N N 33 126.589 126.589 125.024 1.565 18511
4911 1 12 . 1 1 35 35 ARG HA H 33 3.927 3.927 4.217 -0.290 18511
4912 1 12 . 1 1 35 35 ARG C C 33 176.296 176.296 175.372 0.924 18511
4913 1 12 . 1 1 35 35 ARG CA C 33 56.344 56.344 56.570 -0.226 18511
4914 1 12 . 1 1 35 35 ARG CB C 33 29.803 29.803 30.162 -0.359 18511
4915 1 12 . 1 1 35 35 ARG H H 33 8.928 8.928 8.699 0.229 18511
4916 1 12 . 1 1 36 36 LEU N N 34 127.490 127.490 122.033 5.457 18511
4917 1 12 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.514 0.083 18511
4918 1 12 . 1 1 36 36 LEU C C 34 175.361 175.361 176.495 -1.134 18511
4919 1 12 . 1 1 36 36 LEU CA C 34 53.656 53.656 54.131 -0.475 18511
4920 1 12 . 1 1 36 36 LEU CB C 34 44.501 44.501 43.265 1.236 18511
4921 1 12 . 1 1 36 36 LEU H H 34 8.668 8.668 8.101 0.567 18511
4922 1 12 . 1 1 37 37 ALA N N 35 124.016 124.016 123.543 0.473 18511
4923 1 12 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.595 -0.046 18511
4924 1 12 . 1 1 37 37 ALA C C 35 175.757 175.757 177.136 -1.379 18511
4925 1 12 . 1 1 37 37 ALA CA C 35 50.039 50.039 50.628 -0.589 18511
4926 1 12 . 1 1 37 37 ALA CB C 35 21.822 21.822 20.881 0.941 18511
4927 1 12 . 1 1 37 37 ALA H H 35 8.177 8.177 8.151 0.026 18511
4928 1 12 . 1 1 38 38 SER N N 36 114.574 114.574 117.575 -3.001 18511
4929 1 12 . 1 1 38 38 SER HA H 36 4.440 4.440 4.674 -0.234 18511
4930 1 12 . 1 1 38 38 SER C C 36 174.005 174.005 174.134 -0.129 18511
4931 1 12 . 1 1 38 38 SER CA C 36 57.610 57.610 58.300 -0.689 18511
4932 1 12 . 1 1 38 38 SER CB C 36 62.056 62.056 62.288 -0.232 18511
4933 1 12 . 1 1 38 38 SER H H 36 8.444 8.444 8.693 -0.249 18511
4934 1 12 . 1 1 39 39 GLN N N 37 126.057 126.057 123.749 2.308 18511
4935 1 12 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.452 0.000 18511
4936 1 12 . 1 1 39 39 GLN C C 37 175.599 175.599 176.464 -0.865 18511
4937 1 12 . 1 1 39 39 GLN CA C 37 55.433 55.433 55.693 -0.260 18511
4938 1 12 . 1 1 39 39 GLN CB C 37 29.970 29.970 30.035 -0.065 18511
4939 1 12 . 1 1 39 39 GLN H H 37 8.477 8.477 7.755 0.722 18511
4940 1 12 . 1 1 41 41 ARG HA H 39 4.228 4.228 3.952 0.276 18511
4941 1 12 . 1 1 41 41 ARG C C 39 174.776 174.776 174.923 -0.147 18511
4942 1 12 . 1 1 41 41 ARG CA C 39 57.143 57.143 57.143 0.000 18511
4943 1 12 . 1 1 41 41 ARG CB C 39 30.504 30.504 28.811 1.693 18511
4944 1 12 . 1 1 42 42 VAL N N 40 119.931 119.931 119.917 0.014 18511
4945 1 12 . 1 1 42 42 VAL HA H 40 4.602 4.602 4.490 0.112 18511
4946 1 12 . 1 1 42 42 VAL C C 40 174.854 174.854 175.522 -0.668 18511
4947 1 12 . 1 1 42 42 VAL CA C 40 61.663 61.663 61.331 0.332 18511
4948 1 12 . 1 1 42 42 VAL CB C 40 32.800 32.800 30.704 2.096 18511
4949 1 12 . 1 1 42 42 VAL H H 40 7.662 7.662 7.735 -0.073 18511
4950 1 12 . 1 1 43 43 GLN N N 41 125.689 125.689 127.540 -1.851 18511
4951 1 12 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.659 -0.128 18511
4952 1 12 . 1 1 43 43 GLN C C 41 173.952 173.952 174.083 -0.131 18511
4953 1 12 . 1 1 43 43 GLN CA C 41 53.656 53.656 54.562 -0.907 18511
4954 1 12 . 1 1 43 43 GLN CB C 41 31.817 31.817 31.566 0.251 18511
4955 1 12 . 1 1 43 43 GLN H H 41 8.937 8.937 8.564 0.373 18511
4956 1 12 . 1 1 44 44 LEU N N 42 123.562 123.562 126.606 -3.044 18511
4957 1 12 . 1 1 44 44 LEU HA H 42 4.984 4.984 4.918 0.066 18511
4958 1 12 . 1 1 44 44 LEU C C 42 176.565 176.565 176.448 0.117 18511
4959 1 12 . 1 1 44 44 LEU CA C 42 52.931 52.931 53.414 -0.483 18511
4960 1 12 . 1 1 44 44 LEU CB C 42 42.474 42.474 42.434 0.041 18511
4961 1 12 . 1 1 44 44 LEU H H 42 8.231 8.231 8.673 -0.442 18511
4962 1 12 . 1 1 45 45 GLU N N 43 124.016 124.016 125.507 -1.491 18511
4963 1 12 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.375 0.281 18511
4964 1 12 . 1 1 45 45 GLU C C 43 175.346 175.346 175.446 -0.100 18511
4965 1 12 . 1 1 45 45 GLU CA C 43 54.723 54.723 55.160 -0.437 18511
4966 1 12 . 1 1 45 45 GLU CB C 43 32.841 32.841 29.071 3.770 18511
4967 1 12 . 1 1 45 45 GLU H H 43 9.309 9.309 8.595 0.714 18511
4968 1 12 . 1 1 46 46 GLN N N 44 125.220 125.220 124.273 0.947 18511
4969 1 12 . 1 1 46 46 GLN HA H 44 4.928 4.928 4.600 0.328 18511
4970 1 12 . 1 1 46 46 GLN C C 44 174.332 174.332 175.735 -1.403 18511
4971 1 12 . 1 1 46 46 GLN CA C 44 54.832 54.832 55.053 -0.221 18511
4972 1 12 . 1 1 46 46 GLN CB C 44 30.726 30.726 28.818 1.908 18511
4973 1 12 . 1 1 46 46 GLN H H 44 8.825 8.825 8.530 0.295 18511
4974 1 12 . 1 1 47 47 ALA N N 45 129.999 129.999 127.034 2.965 18511
4975 1 12 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.678 -0.006 18511
4976 1 12 . 1 1 47 47 ALA C C 45 177.056 177.056 177.248 -0.192 18511
4977 1 12 . 1 1 47 47 ALA CA C 45 50.716 50.716 51.489 -0.773 18511
4978 1 12 . 1 1 47 47 ALA CB C 45 18.798 18.798 19.962 -1.164 18511
4979 1 12 . 1 1 47 47 ALA H H 45 8.636 8.636 8.977 -0.341 18511
4980 1 12 . 1 1 48 48 GLY CA C 46 46.885 46.885 46.030 0.855 18511
4981 1 12 . 1 1 49 49 ALA HA H 47 4.183 4.183 4.287 -0.104 18511
4982 1 12 . 1 1 49 49 ALA C C 47 176.586 176.586 177.312 -0.726 18511
4983 1 12 . 1 1 49 49 ALA CA C 47 53.068 53.068 52.859 0.208 18511
4984 1 12 . 1 1 49 49 ALA CB C 47 18.714 18.714 19.542 -0.828 18511
4985 1 12 . 1 1 50 50 ARG N N 48 119.282 119.282 121.202 -1.920 18511
4986 1 12 . 1 1 50 50 ARG HA H 48 4.635 4.635 4.659 -0.024 18511
4987 1 12 . 1 1 50 50 ARG C C 48 174.348 174.348 175.296 -0.948 18511
4988 1 12 . 1 1 50 50 ARG CA C 48 55.672 55.672 55.319 0.353 18511
4989 1 12 . 1 1 50 50 ARG CB C 48 31.413 31.413 29.462 1.951 18511
4990 1 12 . 1 1 50 50 ARG H H 48 7.725 7.725 8.281 -0.556 18511
4991 1 12 . 1 1 51 51 GLN N N 49 125.499 125.499 124.972 0.527 18511
4992 1 12 . 1 1 51 51 GLN HA H 49 4.961 4.961 4.868 0.093 18511
4993 1 12 . 1 1 51 51 GLN C C 49 174.427 174.427 175.207 -0.780 18511
4994 1 12 . 1 1 51 51 GLN CA C 49 53.404 53.404 54.012 -0.608 18511
4995 1 12 . 1 1 51 51 GLN CB C 49 30.133 30.133 30.303 -0.170 18511
4996 1 12 . 1 1 51 51 GLN H H 49 9.086 9.086 7.929 1.157 18511
4997 1 12 . 1 1 52 52 VAL N N 50 121.957 121.957 125.391 -3.434 18511
4998 1 12 . 1 1 52 52 VAL HA H 50 5.185 5.185 4.875 0.310 18511
4999 1 12 . 1 1 52 52 VAL C C 50 173.714 173.714 174.571 -0.857 18511
5000 1 12 . 1 1 52 52 VAL CA C 50 60.314 60.314 60.586 -0.272 18511
5001 1 12 . 1 1 52 52 VAL CB C 50 36.154 36.154 32.379 3.775 18511
5002 1 12 . 1 1 52 52 VAL H H 50 8.687 8.687 8.745 -0.058 18511
5003 1 12 . 1 1 53 53 LEU N N 51 129.580 129.580 130.243 -0.663 18511
5004 1 12 . 1 1 53 53 LEU HA H 51 4.389 4.389 4.754 -0.365 18511
5005 1 12 . 1 1 53 53 LEU C C 51 174.427 174.427 174.753 -0.326 18511
5006 1 12 . 1 1 53 53 LEU CA C 51 53.536 53.536 52.718 0.818 18511
5007 1 12 . 1 1 53 53 LEU CB C 51 42.056 42.056 41.350 0.706 18511
5008 1 12 . 1 1 53 53 LEU H H 51 8.380 8.380 7.965 0.415 18511
5009 1 12 . 1 1 54 54 ARG N N 52 125.706 125.706 127.924 -2.218 18511
5010 1 12 . 1 1 54 54 ARG HA H 52 5.255 5.255 5.106 0.149 18511
5011 1 12 . 1 1 54 54 ARG C C 52 174.981 174.981 175.313 -0.332 18511
5012 1 12 . 1 1 54 54 ARG CA C 52 53.992 53.992 54.150 -0.158 18511
5013 1 12 . 1 1 54 54 ARG CB C 52 33.497 33.497 31.597 1.900 18511
5014 1 12 . 1 1 54 54 ARG H H 52 8.956 8.956 8.691 0.265 18511
5015 1 12 . 1 1 55 55 VAL N N 53 123.212 123.212 125.945 -2.733 18511
5016 1 12 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.186 0.433 18511
5017 1 12 . 1 1 55 55 VAL C C 53 175.124 175.124 175.213 -0.089 18511
5018 1 12 . 1 1 55 55 VAL CA C 53 61.092 61.092 61.766 -0.674 18511
5019 1 12 . 1 1 55 55 VAL CB C 53 34.527 34.527 31.098 3.429 18511
5020 1 12 . 1 1 55 55 VAL H H 53 8.511 8.511 8.320 0.191 18511
5021 1 12 . 1 1 56 56 GLN N N 54 126.653 126.653 128.688 -2.035 18511
5022 1 12 . 1 1 56 56 GLN HA H 54 4.518 4.518 4.056 0.462 18511
5023 1 12 . 1 1 56 56 GLN C C 54 176.296 176.296 175.263 1.033 18511
5024 1 12 . 1 1 56 56 GLN CA C 54 55.022 55.022 56.945 -1.923 18511
5025 1 12 . 1 1 56 56 GLN CB C 54 29.749 29.749 28.081 1.668 18511
5026 1 12 . 1 1 56 56 GLN H H 54 8.509 8.509 8.265 0.244 18511
5027 1 12 . 1 1 57 57 GLY N N 55 114.559 114.559 112.102 2.457 18511
5028 1 12 . 1 1 57 57 GLY C C 55 174.585 174.585 173.280 1.305 18511
5029 1 12 . 1 1 57 57 GLY CA C 55 47.319 47.319 45.843 1.476 18511
5030 1 12 . 1 1 57 57 GLY H H 55 8.420 8.420 8.138 0.282 18511
5031 1 12 . 1 1 58 58 ALA N N 56 122.793 122.793 124.818 -2.025 18511
5032 1 12 . 1 1 58 58 ALA HA H 56 4.088 4.088 3.935 0.153 18511
5033 1 12 . 1 1 58 58 ALA C C 56 177.120 177.120 175.356 1.764 18511
5034 1 12 . 1 1 58 58 ALA CA C 56 53.051 53.051 53.070 -0.019 18511
5035 1 12 . 1 1 58 58 ALA CB C 56 18.051 18.051 17.239 0.812 18511
5036 1 12 . 1 1 58 58 ALA H H 56 8.977 8.977 8.135 0.842 18511
5037 1 12 . 1 1 59 59 ARG N N 57 122.118 122.118 119.933 2.185 18511
5038 1 12 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.521 0.230 18511
5039 1 12 . 1 1 59 59 ARG C C 57 177.231 177.231 175.361 1.870 18511
5040 1 12 . 1 1 59 59 ARG CA C 57 53.236 53.236 56.544 -3.308 18511
5041 1 12 . 1 1 59 59 ARG CB C 57 33.526 33.526 32.560 0.966 18511
5042 1 12 . 1 1 59 59 ARG H H 57 9.709 9.709 8.746 0.963 18511
5043 1 12 . 1 1 61 61 GLY C C 59 174.202 174.202 174.700 -0.498 18511
5044 1 12 . 1 1 61 61 GLY CA C 59 45.899 45.899 45.730 0.169 18511
5045 1 12 . 1 1 62 62 ASP N N 60 116.489 116.489 119.673 -3.184 18511
5046 1 12 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.657 0.014 18511
5047 1 12 . 1 1 62 62 ASP C C 60 176.692 176.692 176.416 0.276 18511
5048 1 12 . 1 1 62 62 ASP CA C 60 54.854 54.854 55.434 -0.579 18511
5049 1 12 . 1 1 62 62 ASP CB C 60 41.130 41.130 40.974 0.156 18511
5050 1 12 . 1 1 62 62 ASP H H 60 8.300 8.300 8.470 -0.170 18511
5051 1 12 . 1 1 63 63 ALA N N 61 122.793 122.793 121.206 1.587 18511
5052 1 12 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.463 -0.358 18511
5053 1 12 . 1 1 63 63 ALA C C 61 176.581 176.581 176.879 -0.298 18511
5054 1 12 . 1 1 63 63 ALA CA C 61 52.732 52.732 52.734 -0.002 18511
5055 1 12 . 1 1 63 63 ALA CB C 61 19.806 19.806 19.084 0.722 18511
5056 1 12 . 1 1 63 63 ALA H H 61 7.551 7.551 7.912 -0.361 18511
5057 1 12 . 1 1 64 64 GLY N N 62 108.029 108.029 112.102 -4.073 18511
5058 1 12 . 1 1 64 64 GLY C C 62 171.274 171.274 172.792 -1.518 18511
5059 1 12 . 1 1 64 64 GLY CA C 62 44.826 44.826 45.417 -0.591 18511
5060 1 12 . 1 1 64 64 GLY H H 62 8.720 8.720 7.682 1.038 18511
5061 1 12 . 1 1 65 65 GLU N N 63 122.343 122.343 120.920 1.423 18511
5062 1 12 . 1 1 65 65 GLU HA H 63 5.134 5.134 5.130 0.004 18511
5063 1 12 . 1 1 65 65 GLU C C 63 175.900 175.900 175.870 0.030 18511
5064 1 12 . 1 1 65 65 GLU CA C 63 55.309 55.309 55.265 0.044 18511
5065 1 12 . 1 1 65 65 GLU CB C 63 31.183 31.183 29.878 1.305 18511
5066 1 12 . 1 1 65 65 GLU H H 63 9.038 9.038 8.306 0.732 18511
5067 1 12 . 1 1 66 66 TYR N N 64 128.776 128.776 125.232 3.544 18511
5068 1 12 . 1 1 66 66 TYR HA H 64 5.769 5.769 5.578 0.191 18511
5069 1 12 . 1 1 66 66 TYR C C 64 174.157 174.157 175.667 -1.510 18511
5070 1 12 . 1 1 66 66 TYR CA C 64 56.596 56.596 57.397 -0.801 18511
5071 1 12 . 1 1 66 66 TYR CB C 64 40.857 40.857 40.133 0.724 18511
5072 1 12 . 1 1 66 66 TYR H H 64 9.984 9.984 9.410 0.574 18511
5073 1 12 . 1 1 67 67 LEU N N 65 125.560 125.560 125.794 -0.234 18511
5074 1 12 . 1 1 67 67 LEU HA H 65 5.360 5.360 5.038 0.322 18511
5075 1 12 . 1 1 67 67 LEU C C 65 174.617 174.617 175.695 -1.078 18511
5076 1 12 . 1 1 67 67 LEU CA C 65 53.294 53.294 53.758 -0.464 18511
5077 1 12 . 1 1 67 67 LEU CB C 65 46.296 46.296 43.936 2.360 18511
5078 1 12 . 1 1 67 67 LEU H H 65 9.385 9.385 8.880 0.505 18511
5079 1 12 . 1 1 68 68 CYS N N 66 127.135 127.135 128.980 -1.845 18511
5080 1 12 . 1 1 68 68 CYS HA H 66 3.994 3.994 4.470 -0.476 18511
5081 1 12 . 1 1 68 68 CYS C C 66 172.383 172.383 173.790 -1.407 18511
5082 1 12 . 1 1 68 68 CYS CA C 66 57.828 57.828 56.553 1.275 18511
5083 1 12 . 1 1 68 68 CYS CB C 66 26.535 26.535 26.174 0.361 18511
5084 1 12 . 1 1 68 68 CYS H H 66 9.102 9.102 8.984 0.118 18511
5085 1 12 . 1 1 69 69 ASP N N 67 129.420 129.420 129.464 -0.044 18511
5086 1 12 . 1 1 69 69 ASP HA H 67 4.953 4.953 4.728 0.225 18511
5087 1 12 . 1 1 69 69 ASP C C 67 173.128 173.128 174.203 -1.075 18511
5088 1 12 . 1 1 69 69 ASP CA C 67 53.459 53.459 53.617 -0.158 18511
5089 1 12 . 1 1 69 69 ASP CB C 67 44.249 44.249 42.242 2.007 18511
5090 1 12 . 1 1 69 69 ASP H H 67 9.296 9.296 8.339 0.957 18511
5091 1 12 . 1 1 70 70 ALA N N 68 129.162 129.162 129.506 -0.344 18511
5092 1 12 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.879 0.175 18511
5093 1 12 . 1 1 70 70 ALA C C 68 175.108 175.108 175.544 -0.436 18511
5094 1 12 . 1 1 70 70 ALA CA C 68 49.404 49.404 48.457 0.947 18511
5095 1 12 . 1 1 70 70 ALA CB C 68 21.402 21.402 20.593 0.809 18511
5096 1 12 . 1 1 70 70 ALA H H 68 8.179 8.179 7.712 0.467 18511
5097 1 12 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.250 -0.085 18511
5098 1 12 . 1 1 71 71 PRO C C 69 177.840 177.840 176.743 1.097 18511
5099 1 12 . 1 1 71 71 PRO CA C 69 65.906 65.906 64.240 1.666 18511
5100 1 12 . 1 1 71 71 PRO CB C 69 31.744 31.744 32.303 -0.559 18511
5101 1 12 . 1 1 72 72 GLN N N 70 113.851 113.851 119.097 -5.246 18511
5102 1 12 . 1 1 72 72 GLN HA H 70 4.363 4.363 4.409 -0.046 18511
5103 1 12 . 1 1 72 72 GLN C C 70 174.744 174.744 174.331 0.413 18511
5104 1 12 . 1 1 72 72 GLN CA C 70 55.239 55.239 54.851 0.388 18511
5105 1 12 . 1 1 72 72 GLN CB C 70 29.355 29.355 28.970 0.385 18511
5106 1 12 . 1 1 72 72 GLN H H 70 9.053 9.053 8.173 0.880 18511
5107 1 12 . 1 1 73 73 ASP N N 71 118.081 118.081 121.685 -3.604 18511
5108 1 12 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.320 0.504 18511
5109 1 12 . 1 1 73 73 ASP C C 71 173.017 173.017 174.183 -1.166 18511
5110 1 12 . 1 1 73 73 ASP CA C 71 53.992 53.992 54.733 -0.741 18511
5111 1 12 . 1 1 73 73 ASP CB C 71 44.449 44.449 41.937 2.512 18511
5112 1 12 . 1 1 73 73 ASP H H 71 7.336 7.336 8.352 -1.016 18511
5113 1 12 . 1 1 74 74 SER N N 72 114.356 114.356 117.249 -2.893 18511
5114 1 12 . 1 1 74 74 SER HA H 72 5.209 5.209 5.270 -0.061 18511
5115 1 12 . 1 1 74 74 SER C C 72 174.189 174.189 173.801 0.388 18511
5116 1 12 . 1 1 74 74 SER CA C 72 57.604 57.604 57.309 0.296 18511
5117 1 12 . 1 1 74 74 SER CB C 72 64.697 64.697 65.287 -0.590 18511
5118 1 12 . 1 1 74 74 SER H H 72 8.161 8.161 8.324 -0.163 18511
5119 1 12 . 1 1 75 75 ARG N N 73 122.793 122.793 126.376 -3.583 18511
5120 1 12 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.694 0.002 18511
5121 1 12 . 1 1 75 75 ARG C C 73 173.460 173.460 174.663 -1.203 18511
5122 1 12 . 1 1 75 75 ARG CA C 73 53.404 53.404 54.716 -1.312 18511
5123 1 12 . 1 1 75 75 ARG CB C 73 33.600 33.600 33.550 0.050 18511
5124 1 12 . 1 1 75 75 ARG H H 73 8.592 8.592 8.633 -0.041 18511
5125 1 12 . 1 1 76 76 ILE N N 74 122.343 122.343 123.143 -0.800 18511
5126 1 12 . 1 1 76 76 ILE HA H 74 5.154 5.154 4.741 0.413 18511
5127 1 12 . 1 1 76 76 ILE C C 74 175.266 175.266 174.796 0.470 18511
5128 1 12 . 1 1 76 76 ILE CA C 74 59.620 59.620 59.327 0.293 18511
5129 1 12 . 1 1 76 76 ILE CB C 74 40.889 40.889 39.289 1.600 18511
5130 1 12 . 1 1 76 76 ILE H H 74 8.262 8.262 8.602 -0.340 18511
5131 1 12 . 1 1 77 77 PHE N N 75 126.428 126.428 125.754 0.674 18511
5132 1 12 . 1 1 77 77 PHE HA H 75 5.524 5.524 5.239 0.285 18511
5133 1 12 . 1 1 77 77 PHE C C 75 174.680 174.680 174.895 -0.215 18511
5134 1 12 . 1 1 77 77 PHE CA C 75 55.570 55.570 55.759 -0.189 18511
5135 1 12 . 1 1 77 77 PHE CB C 75 42.186 42.186 40.162 2.024 18511
5136 1 12 . 1 1 77 77 PHE H H 75 9.932 9.932 9.312 0.620 18511
5137 1 12 . 1 1 78 78 LEU N N 76 126.068 126.068 126.104 -0.036 18511
5138 1 12 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.501 0.623 18511
5139 1 12 . 1 1 78 78 LEU C C 76 176.138 176.138 175.841 0.297 18511
5140 1 12 . 1 1 78 78 LEU CA C 76 53.799 53.799 54.808 -1.009 18511
5141 1 12 . 1 1 78 78 LEU CB C 76 41.851 41.851 42.104 -0.253 18511
5142 1 12 . 1 1 78 78 LEU H H 76 9.091 9.091 8.885 0.206 18511
5143 1 12 . 1 1 79 79 VAL N N 77 129.130 129.130 126.917 2.213 18511
5144 1 12 . 1 1 79 79 VAL HA H 77 5.109 5.109 5.078 0.031 18511
5145 1 12 . 1 1 79 79 VAL C C 77 176.597 176.597 175.888 0.709 18511
5146 1 12 . 1 1 79 79 VAL CA C 77 61.384 61.384 61.465 -0.082 18511
5147 1 12 . 1 1 79 79 VAL CB C 77 33.846 33.846 33.662 0.184 18511
5148 1 12 . 1 1 79 79 VAL H H 77 9.408 9.408 8.239 1.169 18511
5149 1 12 . 1 1 80 80 SER N N 78 124.016 124.016 125.184 -1.168 18511
5150 1 12 . 1 1 80 80 SER HA H 78 4.908 4.908 4.789 0.119 18511
5151 1 12 . 1 1 80 80 SER C C 78 172.431 172.431 172.753 -0.322 18511
5152 1 12 . 1 1 80 80 SER CA C 78 56.344 56.344 57.101 -0.757 18511
5153 1 12 . 1 1 80 80 SER CB C 78 65.164 65.164 64.380 0.784 18511
5154 1 12 . 1 1 80 80 SER H H 78 9.125 9.125 8.481 0.644 18511
5155 1 12 . 1 1 81 81 VAL N N 79 124.402 124.402 127.197 -2.795 18511
5156 1 12 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.531 0.004 18511
5157 1 12 . 1 1 81 81 VAL C C 79 174.744 174.744 176.181 -1.437 18511
5158 1 12 . 1 1 81 81 VAL CA C 79 61.028 61.028 61.591 -0.563 18511
5159 1 12 . 1 1 81 81 VAL CB C 79 32.741 32.741 30.790 1.952 18511
5160 1 12 . 1 1 81 81 VAL H H 79 8.638 8.638 8.803 -0.165 18511
5161 1 12 . 1 1 82 82 GLU N N 80 124.145 124.145 126.030 -1.885 18511
5162 1 12 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.619 -0.058 18511
5163 1 12 . 1 1 82 82 GLU C C 80 174.839 174.839 174.897 -0.058 18511
5164 1 12 . 1 1 82 82 GLU CA C 80 54.664 54.664 54.807 -0.143 18511
5165 1 12 . 1 1 82 82 GLU CB C 80 32.237 32.237 32.214 0.023 18511
5166 1 12 . 1 1 82 82 GLU H H 80 8.281 8.281 8.868 -0.587 18511
5167 1 12 . 1 1 83 83 GLU N N 81 123.244 123.244 119.198 4.046 18511
5168 1 12 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.134 0.305 18511
5169 1 12 . 1 1 83 83 GLU C C 81 173.841 173.841 174.452 -0.611 18511
5170 1 12 . 1 1 83 83 GLU CA C 81 54.611 54.611 55.765 -1.154 18511
5171 1 12 . 1 1 83 83 GLU CB C 81 29.046 29.046 29.057 -0.011 18511
5172 1 12 . 1 1 83 83 GLU H H 81 8.656 8.656 8.665 -0.009 18511
5173 1 13 . 1 1 4 4 THR N N 2 121.282 121.282 120.059 1.223 18511
5174 1 13 . 1 1 4 4 THR HA H 2 4.463 4.463 4.185 0.278 18511
5175 1 13 . 1 1 4 4 THR C C 2 173.255 173.255 173.705 -0.450 18511
5176 1 13 . 1 1 4 4 THR CA C 2 62.056 62.056 62.375 -0.319 18511
5177 1 13 . 1 1 4 4 THR CB C 2 70.955 70.955 67.140 3.815 18511
5178 1 13 . 1 1 4 4 THR H H 2 8.319 8.319 8.324 -0.005 18511
5179 1 13 . 1 1 5 5 ARG N N 3 127.535 127.535 125.646 1.889 18511
5180 1 13 . 1 1 5 5 ARG HA H 3 5.083 5.083 4.393 0.690 18511
5181 1 13 . 1 1 5 5 ARG C C 3 175.694 175.694 175.475 0.219 18511
5182 1 13 . 1 1 5 5 ARG CA C 3 55.236 55.236 55.965 -0.729 18511
5183 1 13 . 1 1 5 5 ARG CB C 3 30.776 30.776 31.531 -0.755 18511
5184 1 13 . 1 1 5 5 ARG H H 3 8.958 8.958 7.882 1.076 18511
5185 1 13 . 1 1 6 6 VAL N N 4 125.495 125.495 121.977 3.518 18511
5186 1 13 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.299 0.033 18511
5187 1 13 . 1 1 6 6 VAL C C 4 173.365 173.365 174.428 -1.063 18511
5188 1 13 . 1 1 6 6 VAL CA C 4 61.473 61.473 61.266 0.207 18511
5189 1 13 . 1 1 6 6 VAL CB C 4 35.854 35.854 35.800 0.054 18511
5190 1 13 . 1 1 6 6 VAL H H 4 8.812 8.812 8.204 0.608 18511
5191 1 13 . 1 1 7 7 ARG N N 5 127.554 127.554 127.302 0.252 18511
5192 1 13 . 1 1 7 7 ARG HA H 5 5.175 5.175 5.058 0.117 18511
5193 1 13 . 1 1 7 7 ARG C C 5 175.694 175.694 175.511 0.183 18511
5194 1 13 . 1 1 7 7 ARG CA C 5 54.373 54.373 55.269 -0.896 18511
5195 1 13 . 1 1 7 7 ARG CB C 5 31.679 31.679 31.956 -0.277 18511
5196 1 13 . 1 1 7 7 ARG H H 5 8.712 8.712 8.627 0.085 18511
5197 1 13 . 1 1 8 8 SER N N 6 120.281 120.281 119.071 1.210 18511
5198 1 13 . 1 1 8 8 SER HA H 6 4.762 4.762 4.811 -0.049 18511
5199 1 13 . 1 1 8 8 SER C C 6 173.555 173.555 172.939 0.616 18511
5200 1 13 . 1 1 8 8 SER CA C 6 56.428 56.428 56.328 0.101 18511
5201 1 13 . 1 1 8 8 SER CB C 6 65.450 65.450 65.485 -0.035 18511
5202 1 13 . 1 1 8 8 SER H H 6 8.669 8.669 8.489 0.180 18511
5203 1 13 . 1 1 9 9 THR N N 7 117.885 117.885 115.140 2.745 18511
5204 1 13 . 1 1 9 9 THR HA H 7 4.847 4.847 5.301 -0.454 18511
5205 1 13 . 1 1 9 9 THR C C 7 172.748 172.748 173.824 -1.076 18511
5206 1 13 . 1 1 9 9 THR CA C 7 59.436 59.436 58.658 0.778 18511
5207 1 13 . 1 1 9 9 THR CB C 7 69.938 69.938 69.473 0.465 18511
5208 1 13 . 1 1 9 9 THR H H 7 8.362 8.362 8.532 -0.170 18511
5209 1 13 . 1 1 10 10 PRO HA H 8 4.060 4.060 4.336 -0.276 18511
5210 1 13 . 1 1 10 10 PRO C C 8 177.966 177.966 176.720 1.246 18511
5211 1 13 . 1 1 10 10 PRO CA C 8 63.484 63.484 63.190 0.294 18511
5212 1 13 . 1 1 10 10 PRO CB C 8 30.986 30.986 29.890 1.096 18511
5213 1 13 . 1 1 11 11 GLY N N 9 114.800 114.800 111.735 3.065 18511
5214 1 13 . 1 1 11 11 GLY C C 9 174.870 174.870 174.203 0.667 18511
5215 1 13 . 1 1 11 11 GLY CA C 9 45.147 45.147 44.802 0.345 18511
5216 1 13 . 1 1 11 11 GLY H H 9 9.824 9.824 8.756 1.068 18511
5217 1 13 . 1 1 12 12 GLY N N 10 109.721 109.721 109.022 0.699 18511
5218 1 13 . 1 1 12 12 GLY C C 10 171.924 171.924 172.249 -0.325 18511
5219 1 13 . 1 1 12 12 GLY CA C 10 43.913 43.913 43.413 0.500 18511
5220 1 13 . 1 1 12 12 GLY H H 10 8.172 8.172 7.890 0.282 18511
5221 1 13 . 1 1 13 13 ASP N N 11 119.275 119.275 119.806 -0.531 18511
5222 1 13 . 1 1 13 13 ASP HA H 11 5.316 5.316 4.681 0.635 18511
5223 1 13 . 1 1 13 13 ASP C C 11 176.185 176.185 175.858 0.327 18511
5224 1 13 . 1 1 13 13 ASP CA C 11 53.404 53.404 54.617 -1.213 18511
5225 1 13 . 1 1 13 13 ASP CB C 11 41.309 41.309 40.976 0.333 18511
5226 1 13 . 1 1 13 13 ASP H H 11 8.442 8.442 8.411 0.031 18511
5227 1 13 . 1 1 14 14 LEU N N 12 125.431 125.431 125.559 -0.128 18511
5228 1 13 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.403 0.023 18511
5229 1 13 . 1 1 14 14 LEU C C 12 174.934 174.934 175.712 -0.778 18511
5230 1 13 . 1 1 14 14 LEU CA C 12 53.697 53.697 54.733 -1.036 18511
5231 1 13 . 1 1 14 14 LEU CB C 12 44.170 44.170 43.510 0.660 18511
5232 1 13 . 1 1 14 14 LEU H H 12 8.889 8.889 8.176 0.713 18511
5233 1 13 . 1 1 15 15 GLU N N 13 126.203 126.203 126.527 -0.324 18511
5234 1 13 . 1 1 15 15 GLU HA H 13 4.901 4.901 4.686 0.215 18511
5235 1 13 . 1 1 15 15 GLU C C 13 173.555 173.555 175.047 -1.492 18511
5236 1 13 . 1 1 15 15 GLU CA C 13 55.168 55.168 55.244 -0.076 18511
5237 1 13 . 1 1 15 15 GLU CB C 13 32.489 32.489 32.077 0.412 18511
5238 1 13 . 1 1 15 15 GLU H H 13 8.469 8.469 8.362 0.107 18511
5239 1 13 . 1 1 16 16 LEU N N 14 127.480 127.480 129.642 -2.162 18511
5240 1 13 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.630 -0.408 18511
5241 1 13 . 1 1 16 16 LEU C C 14 174.221 174.221 175.498 -1.277 18511
5242 1 13 . 1 1 16 16 LEU CA C 14 52.900 52.900 53.977 -1.077 18511
5243 1 13 . 1 1 16 16 LEU CB C 14 40.861 40.861 42.275 -1.413 18511
5244 1 13 . 1 1 16 16 LEU H H 14 9.082 9.082 8.810 0.272 18511
5245 1 13 . 1 1 17 17 VAL N N 15 122.038 122.038 126.478 -4.440 18511
5246 1 13 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.375 0.386 18511
5247 1 13 . 1 1 17 17 VAL C C 15 175.330 175.330 175.550 -0.220 18511
5248 1 13 . 1 1 17 17 VAL CA C 15 61.468 61.468 61.870 -0.402 18511
5249 1 13 . 1 1 17 17 VAL CB C 15 33.749 33.749 31.762 1.987 18511
5250 1 13 . 1 1 17 17 VAL H H 15 8.105 8.105 8.480 -0.375 18511
5251 1 13 . 1 1 18 18 VAL N N 16 127.741 127.741 127.370 0.371 18511
5252 1 13 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.475 -0.190 18511
5253 1 13 . 1 1 18 18 VAL C C 16 173.555 173.555 175.045 -1.490 18511
5254 1 13 . 1 1 18 18 VAL CA C 16 61.020 61.020 61.614 -0.594 18511
5255 1 13 . 1 1 18 18 VAL CB C 16 35.604 35.604 33.483 2.121 18511
5256 1 13 . 1 1 18 18 VAL H H 16 9.335 9.335 8.399 0.936 18511
5257 1 13 . 1 1 19 19 HIS N N 17 126.695 126.695 122.971 3.724 18511
5258 1 13 . 1 1 19 19 HIS HA H 17 5.023 5.023 5.252 -0.229 18511
5259 1 13 . 1 1 19 19 HIS C C 17 175.710 175.710 175.392 0.318 18511
5260 1 13 . 1 1 19 19 HIS CA C 17 55.225 55.225 54.699 0.526 18511
5261 1 13 . 1 1 19 19 HIS CB C 17 30.418 30.418 29.552 0.866 18511
5262 1 13 . 1 1 19 19 HIS H H 17 8.710 8.710 8.669 0.041 18511
5263 1 13 . 1 1 20 20 LEU N N 18 124.981 124.981 119.845 5.136 18511
5264 1 13 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.282 0.029 18511
5265 1 13 . 1 1 20 20 LEU C C 18 177.357 177.357 177.270 0.087 18511
5266 1 13 . 1 1 20 20 LEU CA C 18 54.162 54.162 55.098 -0.936 18511
5267 1 13 . 1 1 20 20 LEU CB C 18 43.005 43.005 41.834 1.171 18511
5268 1 13 . 1 1 20 20 LEU H H 18 8.941 8.941 8.003 0.938 18511
5269 1 13 . 1 1 21 21 SER N N 19 116.428 116.428 115.206 1.222 18511
5270 1 13 . 1 1 21 21 SER HA H 19 4.280 4.280 4.501 -0.221 18511
5271 1 13 . 1 1 21 21 SER C C 19 174.348 174.348 174.660 -0.312 18511
5272 1 13 . 1 1 21 21 SER CA C 19 59.696 59.696 58.731 0.965 18511
5273 1 13 . 1 1 21 21 SER CB C 19 63.364 63.364 63.283 0.081 18511
5274 1 13 . 1 1 21 21 SER H H 19 9.513 9.513 8.291 1.222 18511
5275 1 13 . 1 1 22 22 GLY N N 20 107.975 107.975 111.238 -3.263 18511
5276 1 13 . 1 1 22 22 GLY C C 20 171.306 171.306 173.541 -2.235 18511
5277 1 13 . 1 1 22 22 GLY CA C 20 44.193 44.193 43.463 0.730 18511
5278 1 13 . 1 1 22 22 GLY H H 20 7.532 7.532 7.939 -0.407 18511
5279 1 13 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.520 -0.157 18511
5280 1 13 . 1 1 23 23 PRO C C 21 177.141 177.141 176.535 0.606 18511
5281 1 13 . 1 1 23 23 PRO CA C 21 63.096 63.096 62.971 0.125 18511
5282 1 13 . 1 1 23 23 PRO CB C 21 32.105 32.105 31.664 0.441 18511
5283 1 13 . 1 1 24 24 GLY N N 22 107.827 107.827 107.197 0.630 18511
5284 1 13 . 1 1 24 24 GLY C C 22 173.270 173.270 172.816 0.454 18511
5285 1 13 . 1 1 24 24 GLY CA C 22 45.013 45.013 45.059 -0.047 18511
5286 1 13 . 1 1 24 24 GLY H H 22 8.264 8.264 7.301 0.963 18511
5287 1 13 . 1 1 25 25 GLY N N 23 108.700 108.700 107.408 1.292 18511
5288 1 13 . 1 1 25 25 GLY C C 23 170.292 170.292 172.034 -1.742 18511
5289 1 13 . 1 1 25 25 GLY CA C 23 43.573 43.573 45.025 -1.452 18511
5290 1 13 . 1 1 25 25 GLY H H 23 7.797 7.797 7.957 -0.160 18511
5291 1 13 . 1 1 26 26 PRO HA H 24 4.574 4.574 4.551 0.023 18511
5292 1 13 . 1 1 26 26 PRO C C 24 175.331 175.331 175.746 -0.415 18511
5293 1 13 . 1 1 26 26 PRO CA C 24 62.105 62.105 62.511 -0.406 18511
5294 1 13 . 1 1 26 26 PRO CB C 24 34.842 34.842 33.012 1.830 18511
5295 1 13 . 1 1 27 27 VAL N N 25 121.565 121.565 119.287 2.278 18511
5296 1 13 . 1 1 27 27 VAL HA H 25 4.662 4.662 4.396 0.266 18511
5297 1 13 . 1 1 27 27 VAL C C 25 175.742 175.742 176.093 -0.351 18511
5298 1 13 . 1 1 27 27 VAL CA C 25 61.384 61.384 60.471 0.913 18511
5299 1 13 . 1 1 27 27 VAL CB C 25 32.971 32.971 32.927 0.044 18511
5300 1 13 . 1 1 27 27 VAL H H 25 8.579 8.579 8.248 0.331 18511
5301 1 13 . 1 1 28 28 ARG N N 26 127.876 127.876 123.946 3.930 18511
5302 1 13 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.511 0.071 18511
5303 1 13 . 1 1 28 28 ARG C C 26 173.144 173.144 174.797 -1.653 18511
5304 1 13 . 1 1 28 28 ARG CA C 26 54.861 54.861 54.913 -0.053 18511
5305 1 13 . 1 1 28 28 ARG CB C 26 34.589 34.589 32.368 2.221 18511
5306 1 13 . 1 1 28 28 ARG H H 26 8.856 8.856 8.168 0.688 18511
5307 1 13 . 1 1 29 29 TRP N N 27 121.571 121.571 119.958 1.613 18511
5308 1 13 . 1 1 29 29 TRP HA H 27 5.986 5.986 5.156 0.830 18511
5309 1 13 . 1 1 29 29 TRP C C 27 175.932 175.932 175.305 0.627 18511
5310 1 13 . 1 1 29 29 TRP CA C 27 55.504 55.504 56.154 -0.650 18511
5311 1 13 . 1 1 29 29 TRP CB C 27 32.584 32.584 32.173 0.411 18511
5312 1 13 . 1 1 29 29 TRP H H 27 8.858 8.858 8.367 0.491 18511
5313 1 13 . 1 1 30 30 TYR N N 28 118.451 118.451 122.858 -4.407 18511
5314 1 13 . 1 1 30 30 TYR HA H 28 5.332 5.332 4.684 0.648 18511
5315 1 13 . 1 1 30 30 TYR C C 28 175.108 175.108 174.236 0.872 18511
5316 1 13 . 1 1 30 30 TYR CA C 28 55.924 55.924 56.812 -0.888 18511
5317 1 13 . 1 1 30 30 TYR CB C 28 43.194 43.194 42.519 0.675 18511
5318 1 13 . 1 1 30 30 TYR H H 28 9.605 9.605 8.809 0.796 18511
5319 1 13 . 1 1 31 31 LYS N N 29 120.638 120.638 120.002 0.636 18511
5320 1 13 . 1 1 31 31 LYS HA H 29 4.790 4.790 4.781 0.009 18511
5321 1 13 . 1 1 31 31 LYS C C 29 176.565 176.565 176.367 0.198 18511
5322 1 13 . 1 1 31 31 LYS CA C 29 54.496 54.496 55.097 -0.602 18511
5323 1 13 . 1 1 31 31 LYS CB C 29 35.345 35.345 34.509 0.836 18511
5324 1 13 . 1 1 31 31 LYS H H 29 9.055 9.055 8.666 0.389 18511
5325 1 13 . 1 1 32 32 ASP N N 30 131.009 131.009 128.757 2.252 18511
5326 1 13 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.269 0.177 18511
5327 1 13 . 1 1 32 32 ASP C C 30 176.344 176.344 176.271 0.073 18511
5328 1 13 . 1 1 32 32 ASP CA C 30 55.846 55.846 55.473 0.373 18511
5329 1 13 . 1 1 32 32 ASP CB C 30 40.289 40.289 40.411 -0.122 18511
5330 1 13 . 1 1 32 32 ASP H H 30 10.006 10.006 8.966 1.040 18511
5331 1 13 . 1 1 33 33 GLY N N 31 102.658 102.658 103.752 -1.094 18511
5332 1 13 . 1 1 33 33 GLY C C 31 173.809 173.809 173.686 0.123 18511
5333 1 13 . 1 1 33 33 GLY CA C 31 45.127 45.127 44.919 0.208 18511
5334 1 13 . 1 1 33 33 GLY H H 31 8.903 8.903 8.710 0.193 18511
5335 1 13 . 1 1 34 34 GLU N N 32 121.796 121.796 121.416 0.380 18511
5336 1 13 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.759 -0.017 18511
5337 1 13 . 1 1 34 34 GLU C C 32 175.789 175.789 175.581 0.208 18511
5338 1 13 . 1 1 34 34 GLU CA C 32 54.496 54.496 54.620 -0.124 18511
5339 1 13 . 1 1 34 34 GLU CB C 32 31.161 31.161 31.744 -0.584 18511
5340 1 13 . 1 1 34 34 GLU H H 32 8.152 8.152 7.932 0.220 18511
5341 1 13 . 1 1 35 35 ARG N N 33 126.589 126.589 126.099 0.490 18511
5342 1 13 . 1 1 35 35 ARG HA H 33 3.927 3.927 4.233 -0.306 18511
5343 1 13 . 1 1 35 35 ARG C C 33 176.296 176.296 175.352 0.944 18511
5344 1 13 . 1 1 35 35 ARG CA C 33 56.344 56.344 56.404 -0.060 18511
5345 1 13 . 1 1 35 35 ARG CB C 33 29.803 29.803 30.067 -0.264 18511
5346 1 13 . 1 1 35 35 ARG H H 33 8.928 8.928 8.729 0.199 18511
5347 1 13 . 1 1 36 36 LEU N N 34 127.490 127.490 122.457 5.033 18511
5348 1 13 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.440 0.157 18511
5349 1 13 . 1 1 36 36 LEU C C 34 175.361 175.361 176.763 -1.402 18511
5350 1 13 . 1 1 36 36 LEU CA C 34 53.656 53.656 53.977 -0.321 18511
5351 1 13 . 1 1 36 36 LEU CB C 34 44.501 44.501 42.945 1.556 18511
5352 1 13 . 1 1 36 36 LEU H H 34 8.668 8.668 7.949 0.719 18511
5353 1 13 . 1 1 37 37 ALA N N 35 124.016 124.016 123.546 0.470 18511
5354 1 13 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.551 -0.002 18511
5355 1 13 . 1 1 37 37 ALA C C 35 175.757 175.757 177.102 -1.345 18511
5356 1 13 . 1 1 37 37 ALA CA C 35 50.039 50.039 50.587 -0.548 18511
5357 1 13 . 1 1 37 37 ALA CB C 35 21.822 21.822 20.588 1.234 18511
5358 1 13 . 1 1 37 37 ALA H H 35 8.177 8.177 8.119 0.058 18511
5359 1 13 . 1 1 38 38 SER N N 36 114.574 114.574 117.016 -2.442 18511
5360 1 13 . 1 1 38 38 SER HA H 36 4.440 4.440 4.341 0.099 18511
5361 1 13 . 1 1 38 38 SER C C 36 174.005 174.005 174.237 -0.232 18511
5362 1 13 . 1 1 38 38 SER CA C 36 57.610 57.610 58.459 -0.849 18511
5363 1 13 . 1 1 38 38 SER CB C 36 62.056 62.056 62.548 -0.492 18511
5364 1 13 . 1 1 38 38 SER H H 36 8.444 8.444 8.573 -0.129 18511
5365 1 13 . 1 1 39 39 GLN N N 37 126.057 126.057 123.837 2.220 18511
5366 1 13 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.577 -0.126 18511
5367 1 13 . 1 1 39 39 GLN C C 37 175.599 175.599 175.849 -0.250 18511
5368 1 13 . 1 1 39 39 GLN CA C 37 55.433 55.433 53.788 1.645 18511
5369 1 13 . 1 1 39 39 GLN CB C 37 29.970 29.970 31.203 -1.233 18511
5370 1 13 . 1 1 39 39 GLN H H 37 8.477 8.477 8.447 0.030 18511
5371 1 13 . 1 1 41 41 ARG HA H 39 4.228 4.228 4.058 0.170 18511
5372 1 13 . 1 1 41 41 ARG C C 39 174.776 174.776 175.219 -0.443 18511
5373 1 13 . 1 1 41 41 ARG CA C 39 57.143 57.143 58.215 -1.072 18511
5374 1 13 . 1 1 41 41 ARG CB C 39 30.504 30.504 29.771 0.733 18511
5375 1 13 . 1 1 42 42 VAL N N 40 119.931 119.931 121.596 -1.665 18511
5376 1 13 . 1 1 42 42 VAL HA H 40 4.602 4.602 4.549 0.053 18511
5377 1 13 . 1 1 42 42 VAL C C 40 174.854 174.854 174.774 0.080 18511
5378 1 13 . 1 1 42 42 VAL CA C 40 61.663 61.663 61.145 0.518 18511
5379 1 13 . 1 1 42 42 VAL CB C 40 32.800 32.800 30.302 2.498 18511
5380 1 13 . 1 1 42 42 VAL H H 40 7.662 7.662 7.698 -0.036 18511
5381 1 13 . 1 1 43 43 GLN N N 41 125.689 125.689 125.885 -0.196 18511
5382 1 13 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.764 -0.233 18511
5383 1 13 . 1 1 43 43 GLN C C 41 173.952 173.952 174.712 -0.760 18511
5384 1 13 . 1 1 43 43 GLN CA C 41 53.656 53.656 54.492 -0.836 18511
5385 1 13 . 1 1 43 43 GLN CB C 41 31.817 31.817 30.586 1.231 18511
5386 1 13 . 1 1 43 43 GLN H H 41 8.937 8.937 8.476 0.461 18511
5387 1 13 . 1 1 44 44 LEU N N 42 123.562 123.562 125.048 -1.486 18511
5388 1 13 . 1 1 44 44 LEU HA H 42 4.984 4.984 4.679 0.305 18511
5389 1 13 . 1 1 44 44 LEU C C 42 176.565 176.565 176.237 0.328 18511
5390 1 13 . 1 1 44 44 LEU CA C 42 52.931 52.931 53.517 -0.585 18511
5391 1 13 . 1 1 44 44 LEU CB C 42 42.474 42.474 43.609 -1.135 18511
5392 1 13 . 1 1 44 44 LEU H H 42 8.231 8.231 8.576 -0.345 18511
5393 1 13 . 1 1 45 45 GLU N N 43 124.016 124.016 124.212 -0.196 18511
5394 1 13 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.674 -0.018 18511
5395 1 13 . 1 1 45 45 GLU C C 43 175.346 175.346 175.035 0.311 18511
5396 1 13 . 1 1 45 45 GLU CA C 43 54.723 54.723 54.806 -0.083 18511
5397 1 13 . 1 1 45 45 GLU CB C 43 32.841 32.841 32.442 0.399 18511
5398 1 13 . 1 1 45 45 GLU H H 43 9.309 9.309 8.394 0.915 18511
5399 1 13 . 1 1 46 46 GLN N N 44 125.220 125.220 125.224 -0.004 18511
5400 1 13 . 1 1 46 46 GLN HA H 44 4.928 4.928 4.954 -0.026 18511
5401 1 13 . 1 1 46 46 GLN C C 44 174.332 174.332 174.680 -0.348 18511
5402 1 13 . 1 1 46 46 GLN CA C 44 54.832 54.832 55.160 -0.328 18511
5403 1 13 . 1 1 46 46 GLN CB C 44 30.726 30.726 28.884 1.843 18511
5404 1 13 . 1 1 46 46 GLN H H 44 8.825 8.825 8.981 -0.156 18511
5405 1 13 . 1 1 47 47 ALA N N 45 129.999 129.999 128.683 1.316 18511
5406 1 13 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.737 -0.065 18511
5407 1 13 . 1 1 47 47 ALA C C 45 177.056 177.056 177.064 -0.008 18511
5408 1 13 . 1 1 47 47 ALA CA C 45 50.716 50.716 52.396 -1.680 18511
5409 1 13 . 1 1 47 47 ALA CB C 45 18.798 18.798 20.137 -1.339 18511
5410 1 13 . 1 1 47 47 ALA H H 45 8.636 8.636 8.575 0.061 18511
5411 1 13 . 1 1 48 48 GLY CA C 46 46.885 46.885 45.716 1.169 18511
5412 1 13 . 1 1 49 49 ALA HA H 47 4.183 4.183 4.259 -0.076 18511
5413 1 13 . 1 1 49 49 ALA C C 47 176.586 176.586 177.510 -0.924 18511
5414 1 13 . 1 1 49 49 ALA CA C 47 53.068 53.068 53.470 -0.402 18511
5415 1 13 . 1 1 49 49 ALA CB C 47 18.714 18.714 19.384 -0.669 18511
5416 1 13 . 1 1 50 50 ARG N N 48 119.282 119.282 119.884 -0.602 18511
5417 1 13 . 1 1 50 50 ARG HA H 48 4.635 4.635 5.100 -0.465 18511
5418 1 13 . 1 1 50 50 ARG C C 48 174.348 174.348 175.229 -0.881 18511
5419 1 13 . 1 1 50 50 ARG CA C 48 55.672 55.672 55.117 0.555 18511
5420 1 13 . 1 1 50 50 ARG CB C 48 31.413 31.413 31.144 0.269 18511
5421 1 13 . 1 1 50 50 ARG H H 48 7.725 7.725 8.119 -0.394 18511
5422 1 13 . 1 1 51 51 GLN N N 49 125.499 125.499 126.021 -0.522 18511
5423 1 13 . 1 1 51 51 GLN HA H 49 4.961 4.961 5.073 -0.112 18511
5424 1 13 . 1 1 51 51 GLN C C 49 174.427 174.427 174.589 -0.162 18511
5425 1 13 . 1 1 51 51 GLN CA C 49 53.404 53.404 54.081 -0.677 18511
5426 1 13 . 1 1 51 51 GLN CB C 49 30.133 30.133 32.300 -2.167 18511
5427 1 13 . 1 1 51 51 GLN H H 49 9.086 9.086 8.023 1.063 18511
5428 1 13 . 1 1 52 52 VAL N N 50 121.957 121.957 124.415 -2.458 18511
5429 1 13 . 1 1 52 52 VAL HA H 50 5.185 5.185 5.088 0.097 18511
5430 1 13 . 1 1 52 52 VAL C C 50 173.714 173.714 174.265 -0.551 18511
5431 1 13 . 1 1 52 52 VAL CA C 50 60.314 60.314 60.629 -0.315 18511
5432 1 13 . 1 1 52 52 VAL CB C 50 36.154 36.154 33.682 2.472 18511
5433 1 13 . 1 1 52 52 VAL H H 50 8.687 8.687 8.351 0.336 18511
5434 1 13 . 1 1 53 53 LEU N N 51 129.580 129.580 129.650 -0.070 18511
5435 1 13 . 1 1 53 53 LEU HA H 51 4.389 4.389 4.942 -0.553 18511
5436 1 13 . 1 1 53 53 LEU C C 51 174.427 174.427 174.521 -0.094 18511
5437 1 13 . 1 1 53 53 LEU CA C 51 53.536 53.536 52.380 1.156 18511
5438 1 13 . 1 1 53 53 LEU CB C 51 42.056 42.056 42.805 -0.749 18511
5439 1 13 . 1 1 53 53 LEU H H 51 8.380 8.380 7.564 0.816 18511
5440 1 13 . 1 1 54 54 ARG N N 52 125.706 125.706 127.474 -1.768 18511
5441 1 13 . 1 1 54 54 ARG HA H 52 5.255 5.255 4.808 0.447 18511
5442 1 13 . 1 1 54 54 ARG C C 52 174.981 174.981 174.501 0.480 18511
5443 1 13 . 1 1 54 54 ARG CA C 52 53.992 53.992 54.042 -0.050 18511
5444 1 13 . 1 1 54 54 ARG CB C 52 33.497 33.497 31.649 1.848 18511
5445 1 13 . 1 1 54 54 ARG H H 52 8.956 8.956 8.384 0.572 18511
5446 1 13 . 1 1 55 55 VAL N N 53 123.212 123.212 126.503 -3.291 18511
5447 1 13 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.511 0.108 18511
5448 1 13 . 1 1 55 55 VAL C C 53 175.124 175.124 175.694 -0.570 18511
5449 1 13 . 1 1 55 55 VAL CA C 53 61.092 61.092 61.265 -0.173 18511
5450 1 13 . 1 1 55 55 VAL CB C 53 34.527 34.527 32.235 2.292 18511
5451 1 13 . 1 1 55 55 VAL H H 53 8.511 8.511 8.744 -0.233 18511
5452 1 13 . 1 1 56 56 GLN N N 54 126.653 126.653 127.903 -1.250 18511
5453 1 13 . 1 1 56 56 GLN HA H 54 4.518 4.518 4.313 0.205 18511
5454 1 13 . 1 1 56 56 GLN C C 54 176.296 176.296 176.663 -0.367 18511
5455 1 13 . 1 1 56 56 GLN CA C 54 55.022 55.022 55.463 -0.441 18511
5456 1 13 . 1 1 56 56 GLN CB C 54 29.749 29.749 29.647 0.102 18511
5457 1 13 . 1 1 56 56 GLN H H 54 8.509 8.509 8.199 0.310 18511
5458 1 13 . 1 1 57 57 GLY N N 55 114.559 114.559 108.379 6.180 18511
5459 1 13 . 1 1 57 57 GLY C C 55 174.585 174.585 173.990 0.595 18511
5460 1 13 . 1 1 57 57 GLY CA C 55 47.319 47.319 44.961 2.358 18511
5461 1 13 . 1 1 57 57 GLY H H 55 8.420 8.420 8.205 0.215 18511
5462 1 13 . 1 1 58 58 ALA N N 56 122.793 122.793 122.238 0.555 18511
5463 1 13 . 1 1 58 58 ALA HA H 56 4.088 4.088 4.293 -0.205 18511
5464 1 13 . 1 1 58 58 ALA C C 56 177.120 177.120 176.003 1.117 18511
5465 1 13 . 1 1 58 58 ALA CA C 56 53.051 53.051 52.337 0.715 18511
5466 1 13 . 1 1 58 58 ALA CB C 56 18.051 18.051 19.219 -1.168 18511
5467 1 13 . 1 1 58 58 ALA H H 56 8.977 8.977 7.991 0.986 18511
5468 1 13 . 1 1 59 59 ARG N N 57 122.118 122.118 126.089 -3.971 18511
5469 1 13 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.459 0.292 18511
5470 1 13 . 1 1 59 59 ARG C C 57 177.231 177.231 176.971 0.260 18511
5471 1 13 . 1 1 59 59 ARG CA C 57 53.236 53.236 56.926 -3.690 18511
5472 1 13 . 1 1 59 59 ARG CB C 57 33.526 33.526 31.609 1.917 18511
5473 1 13 . 1 1 59 59 ARG H H 57 9.709 9.709 8.446 1.263 18511
5474 1 13 . 1 1 61 61 GLY C C 59 174.202 174.202 174.994 -0.792 18511
5475 1 13 . 1 1 61 61 GLY CA C 59 45.899 45.899 45.757 0.142 18511
5476 1 13 . 1 1 62 62 ASP N N 60 116.489 116.489 121.295 -4.806 18511
5477 1 13 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.563 0.108 18511
5478 1 13 . 1 1 62 62 ASP C C 60 176.692 176.692 176.361 0.331 18511
5479 1 13 . 1 1 62 62 ASP CA C 60 54.854 54.854 55.265 -0.411 18511
5480 1 13 . 1 1 62 62 ASP CB C 60 41.130 41.130 41.488 -0.358 18511
5481 1 13 . 1 1 62 62 ASP H H 60 8.300 8.300 8.330 -0.030 18511
5482 1 13 . 1 1 63 63 ALA N N 61 122.793 122.793 122.492 0.301 18511
5483 1 13 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.504 -0.399 18511
5484 1 13 . 1 1 63 63 ALA C C 61 176.581 176.581 176.943 -0.362 18511
5485 1 13 . 1 1 63 63 ALA CA C 61 52.732 52.732 53.056 -0.324 18511
5486 1 13 . 1 1 63 63 ALA CB C 61 19.806 19.806 18.184 1.622 18511
5487 1 13 . 1 1 63 63 ALA H H 61 7.551 7.551 7.390 0.161 18511
5488 1 13 . 1 1 64 64 GLY N N 62 108.029 108.029 112.259 -4.230 18511
5489 1 13 . 1 1 64 64 GLY C C 62 171.274 171.274 172.397 -1.123 18511
5490 1 13 . 1 1 64 64 GLY CA C 62 44.826 44.826 44.948 -0.122 18511
5491 1 13 . 1 1 64 64 GLY H H 62 8.720 8.720 7.904 0.816 18511
5492 1 13 . 1 1 65 65 GLU N N 63 122.343 122.343 120.870 1.473 18511
5493 1 13 . 1 1 65 65 GLU HA H 63 5.134 5.134 4.892 0.242 18511
5494 1 13 . 1 1 65 65 GLU C C 63 175.900 175.900 175.594 0.306 18511
5495 1 13 . 1 1 65 65 GLU CA C 63 55.309 55.309 56.257 -0.948 18511
5496 1 13 . 1 1 65 65 GLU CB C 63 31.183 31.183 29.721 1.462 18511
5497 1 13 . 1 1 65 65 GLU H H 63 9.038 9.038 8.654 0.384 18511
5498 1 13 . 1 1 66 66 TYR N N 64 128.776 128.776 124.740 4.036 18511
5499 1 13 . 1 1 66 66 TYR HA H 64 5.769 5.769 5.187 0.582 18511
5500 1 13 . 1 1 66 66 TYR C C 64 174.157 174.157 175.460 -1.303 18511
5501 1 13 . 1 1 66 66 TYR CA C 64 56.596 56.596 56.982 -0.386 18511
5502 1 13 . 1 1 66 66 TYR CB C 64 40.857 40.857 39.971 0.886 18511
5503 1 13 . 1 1 66 66 TYR H H 64 9.984 9.984 9.045 0.939 18511
5504 1 13 . 1 1 67 67 LEU N N 65 125.560 125.560 127.359 -1.799 18511
5505 1 13 . 1 1 67 67 LEU HA H 65 5.360 5.360 5.012 0.348 18511
5506 1 13 . 1 1 67 67 LEU C C 65 174.617 174.617 176.297 -1.680 18511
5507 1 13 . 1 1 67 67 LEU CA C 65 53.294 53.294 54.169 -0.875 18511
5508 1 13 . 1 1 67 67 LEU CB C 65 46.296 46.296 42.757 3.539 18511
5509 1 13 . 1 1 67 67 LEU H H 65 9.385 9.385 8.944 0.441 18511
5510 1 13 . 1 1 68 68 CYS N N 66 127.135 127.135 129.276 -2.141 18511
5511 1 13 . 1 1 68 68 CYS HA H 66 3.994 3.994 4.203 -0.209 18511
5512 1 13 . 1 1 68 68 CYS C C 66 172.383 172.383 173.693 -1.310 18511
5513 1 13 . 1 1 68 68 CYS CA C 66 57.828 57.828 56.876 0.952 18511
5514 1 13 . 1 1 68 68 CYS CB C 66 26.535 26.535 26.677 -0.142 18511
5515 1 13 . 1 1 68 68 CYS H H 66 9.102 9.102 8.855 0.247 18511
5516 1 13 . 1 1 69 69 ASP N N 67 129.420 129.420 129.170 0.250 18511
5517 1 13 . 1 1 69 69 ASP HA H 67 4.953 4.953 4.707 0.246 18511
5518 1 13 . 1 1 69 69 ASP C C 67 173.128 173.128 174.871 -1.743 18511
5519 1 13 . 1 1 69 69 ASP CA C 67 53.459 53.459 52.904 0.555 18511
5520 1 13 . 1 1 69 69 ASP CB C 67 44.249 44.249 41.502 2.747 18511
5521 1 13 . 1 1 69 69 ASP H H 67 9.296 9.296 7.879 1.417 18511
5522 1 13 . 1 1 70 70 ALA N N 68 129.162 129.162 128.883 0.279 18511
5523 1 13 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.644 0.410 18511
5524 1 13 . 1 1 70 70 ALA C C 68 175.108 175.108 175.674 -0.566 18511
5525 1 13 . 1 1 70 70 ALA CA C 68 49.404 49.404 49.400 0.004 18511
5526 1 13 . 1 1 70 70 ALA CB C 68 21.402 21.402 18.572 2.830 18511
5527 1 13 . 1 1 70 70 ALA H H 68 8.179 8.179 7.735 0.444 18511
5528 1 13 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.203 -0.038 18511
5529 1 13 . 1 1 71 71 PRO C C 69 177.840 177.840 176.560 1.280 18511
5530 1 13 . 1 1 71 71 PRO CA C 69 65.906 65.906 64.745 1.161 18511
5531 1 13 . 1 1 71 71 PRO CB C 69 31.744 31.744 30.436 1.308 18511
5532 1 13 . 1 1 72 72 GLN N N 70 113.851 113.851 116.098 -2.247 18511
5533 1 13 . 1 1 72 72 GLN HA H 70 4.363 4.363 3.949 0.414 18511
5534 1 13 . 1 1 72 72 GLN C C 70 174.744 174.744 174.508 0.236 18511
5535 1 13 . 1 1 72 72 GLN CA C 70 55.239 55.239 57.275 -2.036 18511
5536 1 13 . 1 1 72 72 GLN CB C 70 29.355 29.355 27.542 1.813 18511
5537 1 13 . 1 1 72 72 GLN H H 70 9.053 9.053 8.554 0.499 18511
5538 1 13 . 1 1 73 73 ASP N N 71 118.081 118.081 119.007 -0.926 18511
5539 1 13 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.800 0.024 18511
5540 1 13 . 1 1 73 73 ASP C C 71 173.017 173.017 175.001 -1.984 18511
5541 1 13 . 1 1 73 73 ASP CA C 71 53.992 53.992 53.677 0.315 18511
5542 1 13 . 1 1 73 73 ASP CB C 71 44.449 44.449 42.184 2.265 18511
5543 1 13 . 1 1 73 73 ASP H H 71 7.336 7.336 7.723 -0.387 18511
5544 1 13 . 1 1 74 74 SER N N 72 114.356 114.356 117.631 -3.275 18511
5545 1 13 . 1 1 74 74 SER HA H 72 5.209 5.209 4.589 0.620 18511
5546 1 13 . 1 1 74 74 SER C C 72 174.189 174.189 174.366 -0.177 18511
5547 1 13 . 1 1 74 74 SER CA C 72 57.604 57.604 58.548 -0.944 18511
5548 1 13 . 1 1 74 74 SER CB C 72 64.697 64.697 64.278 0.419 18511
5549 1 13 . 1 1 74 74 SER H H 72 8.161 8.161 8.167 -0.006 18511
5550 1 13 . 1 1 75 75 ARG N N 73 122.793 122.793 123.508 -0.715 18511
5551 1 13 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.654 0.042 18511
5552 1 13 . 1 1 75 75 ARG C C 73 173.460 173.460 174.306 -0.846 18511
5553 1 13 . 1 1 75 75 ARG CA C 73 53.404 53.404 55.481 -2.077 18511
5554 1 13 . 1 1 75 75 ARG CB C 73 33.600 33.600 33.557 0.043 18511
5555 1 13 . 1 1 75 75 ARG H H 73 8.592 8.592 8.315 0.277 18511
5556 1 13 . 1 1 76 76 ILE N N 74 122.343 122.343 125.463 -3.120 18511
5557 1 13 . 1 1 76 76 ILE HA H 74 5.154 5.154 4.522 0.632 18511
5558 1 13 . 1 1 76 76 ILE C C 74 175.266 175.266 174.858 0.408 18511
5559 1 13 . 1 1 76 76 ILE CA C 74 59.620 59.620 60.562 -0.942 18511
5560 1 13 . 1 1 76 76 ILE CB C 74 40.889 40.889 39.014 1.875 18511
5561 1 13 . 1 1 76 76 ILE H H 74 8.262 8.262 8.633 -0.371 18511
5562 1 13 . 1 1 77 77 PHE N N 75 126.428 126.428 126.208 0.220 18511
5563 1 13 . 1 1 77 77 PHE HA H 75 5.524 5.524 5.248 0.276 18511
5564 1 13 . 1 1 77 77 PHE C C 75 174.680 174.680 175.552 -0.872 18511
5565 1 13 . 1 1 77 77 PHE CA C 75 55.570 55.570 55.936 -0.366 18511
5566 1 13 . 1 1 77 77 PHE CB C 75 42.186 42.186 40.085 2.101 18511
5567 1 13 . 1 1 77 77 PHE H H 75 9.932 9.932 8.959 0.973 18511
5568 1 13 . 1 1 78 78 LEU N N 76 126.068 126.068 126.732 -0.664 18511
5569 1 13 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.608 0.516 18511
5570 1 13 . 1 1 78 78 LEU C C 76 176.138 176.138 176.562 -0.424 18511
5571 1 13 . 1 1 78 78 LEU CA C 76 53.799 53.799 54.676 -0.877 18511
5572 1 13 . 1 1 78 78 LEU CB C 76 41.851 41.851 41.166 0.685 18511
5573 1 13 . 1 1 78 78 LEU H H 76 9.091 9.091 8.865 0.226 18511
5574 1 13 . 1 1 79 79 VAL N N 77 129.130 129.130 126.578 2.552 18511
5575 1 13 . 1 1 79 79 VAL HA H 77 5.109 5.109 4.621 0.488 18511
5576 1 13 . 1 1 79 79 VAL C C 77 176.597 176.597 175.509 1.088 18511
5577 1 13 . 1 1 79 79 VAL CA C 77 61.384 61.384 62.582 -1.198 18511
5578 1 13 . 1 1 79 79 VAL CB C 77 33.846 33.846 31.926 1.920 18511
5579 1 13 . 1 1 79 79 VAL H H 77 9.408 9.408 8.502 0.906 18511
5580 1 13 . 1 1 80 80 SER N N 78 124.016 124.016 123.847 0.169 18511
5581 1 13 . 1 1 80 80 SER HA H 78 4.908 4.908 4.752 0.156 18511
5582 1 13 . 1 1 80 80 SER C C 78 172.431 172.431 173.113 -0.682 18511
5583 1 13 . 1 1 80 80 SER CA C 78 56.344 56.344 56.969 -0.625 18511
5584 1 13 . 1 1 80 80 SER CB C 78 65.164 65.164 63.589 1.575 18511
5585 1 13 . 1 1 80 80 SER H H 78 9.125 9.125 8.253 0.872 18511
5586 1 13 . 1 1 81 81 VAL N N 79 124.402 124.402 128.607 -4.205 18511
5587 1 13 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.577 -0.042 18511
5588 1 13 . 1 1 81 81 VAL C C 79 174.744 174.744 175.722 -0.978 18511
5589 1 13 . 1 1 81 81 VAL CA C 79 61.028 61.028 61.575 -0.547 18511
5590 1 13 . 1 1 81 81 VAL CB C 79 32.741 32.741 30.605 2.136 18511
5591 1 13 . 1 1 81 81 VAL H H 79 8.638 8.638 8.777 -0.139 18511
5592 1 13 . 1 1 82 82 GLU N N 80 124.145 124.145 126.799 -2.654 18511
5593 1 13 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.551 0.010 18511
5594 1 13 . 1 1 82 82 GLU C C 80 174.839 174.839 174.490 0.349 18511
5595 1 13 . 1 1 82 82 GLU CA C 80 54.664 54.664 55.021 -0.357 18511
5596 1 13 . 1 1 82 82 GLU CB C 80 32.237 32.237 32.369 -0.132 18511
5597 1 13 . 1 1 82 82 GLU H H 80 8.281 8.281 8.733 -0.452 18511
5598 1 13 . 1 1 83 83 GLU N N 81 123.244 123.244 117.759 5.485 18511
5599 1 13 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.151 0.288 18511
5600 1 13 . 1 1 83 83 GLU C C 81 173.841 173.841 174.147 -0.306 18511
5601 1 13 . 1 1 83 83 GLU CA C 81 54.611 54.611 56.019 -1.407 18511
5602 1 13 . 1 1 83 83 GLU CB C 81 29.046 29.046 28.625 0.421 18511
5603 1 13 . 1 1 83 83 GLU H H 81 8.656 8.656 8.633 0.023 18511
5604 1 14 . 1 1 4 4 THR N N 2 121.282 121.282 120.541 0.741 18511
5605 1 14 . 1 1 4 4 THR HA H 2 4.463 4.463 4.177 0.286 18511
5606 1 14 . 1 1 4 4 THR C C 2 173.255 173.255 173.972 -0.717 18511
5607 1 14 . 1 1 4 4 THR CA C 2 62.056 62.056 62.110 -0.054 18511
5608 1 14 . 1 1 4 4 THR CB C 2 70.955 70.955 67.316 3.639 18511
5609 1 14 . 1 1 4 4 THR H H 2 8.319 8.319 8.361 -0.042 18511
5610 1 14 . 1 1 5 5 ARG N N 3 127.535 127.535 126.831 0.704 18511
5611 1 14 . 1 1 5 5 ARG HA H 3 5.083 5.083 4.622 0.461 18511
5612 1 14 . 1 1 5 5 ARG C C 3 175.694 175.694 175.565 0.129 18511
5613 1 14 . 1 1 5 5 ARG CA C 3 55.236 55.236 56.081 -0.845 18511
5614 1 14 . 1 1 5 5 ARG CB C 3 30.776 30.776 31.407 -0.631 18511
5615 1 14 . 1 1 5 5 ARG H H 3 8.958 8.958 8.392 0.566 18511
5616 1 14 . 1 1 6 6 VAL N N 4 125.495 125.495 123.974 1.521 18511
5617 1 14 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.486 -0.154 18511
5618 1 14 . 1 1 6 6 VAL C C 4 173.365 173.365 174.209 -0.844 18511
5619 1 14 . 1 1 6 6 VAL CA C 4 61.473 61.473 60.946 0.527 18511
5620 1 14 . 1 1 6 6 VAL CB C 4 35.854 35.854 36.098 -0.244 18511
5621 1 14 . 1 1 6 6 VAL H H 4 8.812 8.812 8.335 0.477 18511
5622 1 14 . 1 1 7 7 ARG N N 5 127.554 127.554 125.890 1.664 18511
5623 1 14 . 1 1 7 7 ARG HA H 5 5.175 5.175 5.142 0.033 18511
5624 1 14 . 1 1 7 7 ARG C C 5 175.694 175.694 175.280 0.414 18511
5625 1 14 . 1 1 7 7 ARG CA C 5 54.373 54.373 54.566 -0.193 18511
5626 1 14 . 1 1 7 7 ARG CB C 5 31.679 31.679 32.531 -0.851 18511
5627 1 14 . 1 1 7 7 ARG H H 5 8.712 8.712 8.548 0.164 18511
5628 1 14 . 1 1 8 8 SER N N 6 120.281 120.281 119.157 1.124 18511
5629 1 14 . 1 1 8 8 SER HA H 6 4.762 4.762 4.759 0.003 18511
5630 1 14 . 1 1 8 8 SER C C 6 173.555 173.555 172.806 0.749 18511
5631 1 14 . 1 1 8 8 SER CA C 6 56.428 56.428 56.588 -0.160 18511
5632 1 14 . 1 1 8 8 SER CB C 6 65.450 65.450 65.501 -0.051 18511
5633 1 14 . 1 1 8 8 SER H H 6 8.669 8.669 8.328 0.341 18511
5634 1 14 . 1 1 9 9 THR N N 7 117.885 117.885 114.883 3.002 18511
5635 1 14 . 1 1 9 9 THR HA H 7 4.847 4.847 5.471 -0.624 18511
5636 1 14 . 1 1 9 9 THR C C 7 172.748 172.748 173.084 -0.336 18511
5637 1 14 . 1 1 9 9 THR CA C 7 59.436 59.436 57.974 1.462 18511
5638 1 14 . 1 1 9 9 THR CB C 7 69.938 69.938 69.752 0.186 18511
5639 1 14 . 1 1 9 9 THR H H 7 8.362 8.362 8.546 -0.184 18511
5640 1 14 . 1 1 10 10 PRO HA H 8 4.060 4.060 4.414 -0.354 18511
5641 1 14 . 1 1 10 10 PRO C C 8 177.966 177.966 177.303 0.663 18511
5642 1 14 . 1 1 10 10 PRO CA C 8 63.484 63.484 62.726 0.758 18511
5643 1 14 . 1 1 10 10 PRO CB C 8 30.986 30.986 30.951 0.035 18511
5644 1 14 . 1 1 11 11 GLY N N 9 114.800 114.800 114.996 -0.196 18511
5645 1 14 . 1 1 11 11 GLY C C 9 174.870 174.870 173.442 1.428 18511
5646 1 14 . 1 1 11 11 GLY CA C 9 45.147 45.147 45.018 0.129 18511
5647 1 14 . 1 1 11 11 GLY H H 9 9.824 9.824 8.626 1.198 18511
5648 1 14 . 1 1 12 12 GLY N N 10 109.721 109.721 108.691 1.030 18511
5649 1 14 . 1 1 12 12 GLY C C 10 171.924 171.924 172.369 -0.445 18511
5650 1 14 . 1 1 12 12 GLY CA C 10 43.913 43.913 45.445 -1.532 18511
5651 1 14 . 1 1 12 12 GLY H H 10 8.172 8.172 8.254 -0.082 18511
5652 1 14 . 1 1 13 13 ASP N N 11 119.275 119.275 119.114 0.161 18511
5653 1 14 . 1 1 13 13 ASP HA H 11 5.316 5.316 4.954 0.362 18511
5654 1 14 . 1 1 13 13 ASP C C 11 176.185 176.185 173.923 2.262 18511
5655 1 14 . 1 1 13 13 ASP CA C 11 53.404 53.404 52.982 0.422 18511
5656 1 14 . 1 1 13 13 ASP CB C 11 41.309 41.309 44.586 -3.277 18511
5657 1 14 . 1 1 13 13 ASP H H 11 8.442 8.442 8.162 0.280 18511
5658 1 14 . 1 1 14 14 LEU N N 12 125.431 125.431 120.109 5.322 18511
5659 1 14 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.730 -0.304 18511
5660 1 14 . 1 1 14 14 LEU C C 12 174.934 174.934 174.412 0.522 18511
5661 1 14 . 1 1 14 14 LEU CA C 12 53.697 53.697 54.548 -0.851 18511
5662 1 14 . 1 1 14 14 LEU CB C 12 44.170 44.170 44.908 -0.738 18511
5663 1 14 . 1 1 14 14 LEU H H 12 8.889 8.889 8.306 0.583 18511
5664 1 14 . 1 1 15 15 GLU N N 13 126.203 126.203 127.903 -1.700 18511
5665 1 14 . 1 1 15 15 GLU HA H 13 4.901 4.901 4.678 0.223 18511
5666 1 14 . 1 1 15 15 GLU C C 13 173.555 173.555 175.304 -1.749 18511
5667 1 14 . 1 1 15 15 GLU CA C 13 55.168 55.168 54.787 0.381 18511
5668 1 14 . 1 1 15 15 GLU CB C 13 32.489 32.489 30.899 1.590 18511
5669 1 14 . 1 1 15 15 GLU H H 13 8.469 8.469 8.540 -0.071 18511
5670 1 14 . 1 1 16 16 LEU N N 14 127.480 127.480 130.102 -2.622 18511
5671 1 14 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.550 -0.328 18511
5672 1 14 . 1 1 16 16 LEU C C 14 174.221 174.221 175.542 -1.321 18511
5673 1 14 . 1 1 16 16 LEU CA C 14 52.900 52.900 54.186 -1.286 18511
5674 1 14 . 1 1 16 16 LEU CB C 14 40.861 40.861 41.948 -1.087 18511
5675 1 14 . 1 1 16 16 LEU H H 14 9.082 9.082 8.761 0.321 18511
5676 1 14 . 1 1 17 17 VAL N N 15 122.038 122.038 126.105 -4.067 18511
5677 1 14 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.201 0.560 18511
5678 1 14 . 1 1 17 17 VAL C C 15 175.330 175.330 175.772 -0.442 18511
5679 1 14 . 1 1 17 17 VAL CA C 15 61.468 61.468 62.297 -0.829 18511
5680 1 14 . 1 1 17 17 VAL CB C 15 33.749 33.749 32.210 1.539 18511
5681 1 14 . 1 1 17 17 VAL H H 15 8.105 8.105 8.277 -0.172 18511
5682 1 14 . 1 1 18 18 VAL N N 16 127.741 127.741 128.115 -0.374 18511
5683 1 14 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.549 -0.264 18511
5684 1 14 . 1 1 18 18 VAL C C 16 173.555 173.555 174.678 -1.123 18511
5685 1 14 . 1 1 18 18 VAL CA C 16 61.020 61.020 61.253 -0.233 18511
5686 1 14 . 1 1 18 18 VAL CB C 16 35.604 35.604 33.673 1.931 18511
5687 1 14 . 1 1 18 18 VAL H H 16 9.335 9.335 8.747 0.588 18511
5688 1 14 . 1 1 19 19 HIS N N 17 126.695 126.695 124.294 2.401 18511
5689 1 14 . 1 1 19 19 HIS HA H 17 5.023 5.023 4.910 0.113 18511
5690 1 14 . 1 1 19 19 HIS C C 17 175.710 175.710 175.089 0.621 18511
5691 1 14 . 1 1 19 19 HIS CA C 17 55.225 55.225 54.895 0.330 18511
5692 1 14 . 1 1 19 19 HIS CB C 17 30.418 30.418 29.579 0.838 18511
5693 1 14 . 1 1 19 19 HIS H H 17 8.710 8.710 8.691 0.019 18511
5694 1 14 . 1 1 20 20 LEU N N 18 124.981 124.981 119.885 5.096 18511
5695 1 14 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.372 -0.061 18511
5696 1 14 . 1 1 20 20 LEU C C 18 177.357 177.357 177.309 0.048 18511
5697 1 14 . 1 1 20 20 LEU CA C 18 54.162 54.162 54.818 -0.656 18511
5698 1 14 . 1 1 20 20 LEU CB C 18 43.005 43.005 41.854 1.151 18511
5699 1 14 . 1 1 20 20 LEU H H 18 8.941 8.941 7.959 0.982 18511
5700 1 14 . 1 1 21 21 SER N N 19 116.428 116.428 115.441 0.987 18511
5701 1 14 . 1 1 21 21 SER HA H 19 4.280 4.280 4.415 -0.135 18511
5702 1 14 . 1 1 21 21 SER C C 19 174.348 174.348 175.268 -0.920 18511
5703 1 14 . 1 1 21 21 SER CA C 19 59.696 59.696 59.312 0.384 18511
5704 1 14 . 1 1 21 21 SER CB C 19 63.364 63.364 63.524 -0.160 18511
5705 1 14 . 1 1 21 21 SER H H 19 9.513 9.513 8.782 0.731 18511
5706 1 14 . 1 1 22 22 GLY N N 20 107.975 107.975 109.559 -1.584 18511
5707 1 14 . 1 1 22 22 GLY C C 20 171.306 171.306 173.892 -2.586 18511
5708 1 14 . 1 1 22 22 GLY CA C 20 44.193 44.193 43.410 0.783 18511
5709 1 14 . 1 1 22 22 GLY H H 20 7.532 7.532 7.854 -0.322 18511
5710 1 14 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.381 -0.018 18511
5711 1 14 . 1 1 23 23 PRO C C 21 177.141 177.141 177.219 -0.078 18511
5712 1 14 . 1 1 23 23 PRO CA C 21 63.096 63.096 63.966 -0.870 18511
5713 1 14 . 1 1 23 23 PRO CB C 21 32.105 32.105 32.236 -0.131 18511
5714 1 14 . 1 1 24 24 GLY N N 22 107.827 107.827 106.612 1.215 18511
5715 1 14 . 1 1 24 24 GLY C C 22 173.270 173.270 173.135 0.135 18511
5716 1 14 . 1 1 24 24 GLY CA C 22 45.013 45.013 44.251 0.762 18511
5717 1 14 . 1 1 24 24 GLY H H 22 8.264 8.264 7.792 0.472 18511
5718 1 14 . 1 1 25 25 GLY N N 23 108.700 108.700 109.540 -0.840 18511
5719 1 14 . 1 1 25 25 GLY C C 23 170.292 170.292 172.943 -2.651 18511
5720 1 14 . 1 1 25 25 GLY CA C 23 43.573 43.573 43.350 0.223 18511
5721 1 14 . 1 1 25 25 GLY H H 23 7.797 7.797 8.062 -0.265 18511
5722 1 14 . 1 1 26 26 PRO HA H 24 4.574 4.574 4.572 0.002 18511
5723 1 14 . 1 1 26 26 PRO C C 24 175.331 175.331 176.211 -0.880 18511
5724 1 14 . 1 1 26 26 PRO CA C 24 62.105 62.105 62.359 -0.254 18511
5725 1 14 . 1 1 26 26 PRO CB C 24 34.842 34.842 32.040 2.802 18511
5726 1 14 . 1 1 27 27 VAL N N 25 121.565 121.565 123.525 -1.960 18511
5727 1 14 . 1 1 27 27 VAL HA H 25 4.662 4.662 4.034 0.628 18511
5728 1 14 . 1 1 27 27 VAL C C 25 175.742 175.742 176.189 -0.447 18511
5729 1 14 . 1 1 27 27 VAL CA C 25 61.384 61.384 61.340 0.044 18511
5730 1 14 . 1 1 27 27 VAL CB C 25 32.971 32.971 33.543 -0.572 18511
5731 1 14 . 1 1 27 27 VAL H H 25 8.579 8.579 8.195 0.384 18511
5732 1 14 . 1 1 28 28 ARG N N 26 127.876 127.876 123.159 4.717 18511
5733 1 14 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.505 0.077 18511
5734 1 14 . 1 1 28 28 ARG C C 26 173.144 173.144 175.049 -1.905 18511
5735 1 14 . 1 1 28 28 ARG CA C 26 54.861 54.861 53.726 1.135 18511
5736 1 14 . 1 1 28 28 ARG CB C 26 34.589 34.589 31.681 2.908 18511
5737 1 14 . 1 1 28 28 ARG H H 26 8.856 8.856 8.615 0.241 18511
5738 1 14 . 1 1 29 29 TRP N N 27 121.571 121.571 121.217 0.354 18511
5739 1 14 . 1 1 29 29 TRP HA H 27 5.986 5.986 5.215 0.771 18511
5740 1 14 . 1 1 29 29 TRP C C 27 175.932 175.932 175.437 0.495 18511
5741 1 14 . 1 1 29 29 TRP CA C 27 55.504 55.504 56.075 -0.570 18511
5742 1 14 . 1 1 29 29 TRP CB C 27 32.584 32.584 33.544 -0.960 18511
5743 1 14 . 1 1 29 29 TRP H H 27 8.858 8.858 8.496 0.362 18511
5744 1 14 . 1 1 30 30 TYR N N 28 118.451 118.451 120.689 -2.238 18511
5745 1 14 . 1 1 30 30 TYR HA H 28 5.332 5.332 4.963 0.369 18511
5746 1 14 . 1 1 30 30 TYR C C 28 175.108 175.108 174.304 0.804 18511
5747 1 14 . 1 1 30 30 TYR CA C 28 55.924 55.924 57.315 -1.391 18511
5748 1 14 . 1 1 30 30 TYR CB C 28 43.194 43.194 41.888 1.306 18511
5749 1 14 . 1 1 30 30 TYR H H 28 9.605 9.605 8.737 0.868 18511
5750 1 14 . 1 1 31 31 LYS N N 29 120.638 120.638 123.514 -2.876 18511
5751 1 14 . 1 1 31 31 LYS HA H 29 4.790 4.790 5.005 -0.215 18511
5752 1 14 . 1 1 31 31 LYS C C 29 176.565 176.565 176.889 -0.324 18511
5753 1 14 . 1 1 31 31 LYS CA C 29 54.496 54.496 53.618 0.878 18511
5754 1 14 . 1 1 31 31 LYS CB C 29 35.345 35.345 34.922 0.423 18511
5755 1 14 . 1 1 31 31 LYS H H 29 9.055 9.055 8.830 0.225 18511
5756 1 14 . 1 1 32 32 ASP N N 30 131.009 131.009 127.866 3.143 18511
5757 1 14 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.308 0.138 18511
5758 1 14 . 1 1 32 32 ASP C C 30 176.344 176.344 176.289 0.055 18511
5759 1 14 . 1 1 32 32 ASP CA C 30 55.846 55.846 55.205 0.641 18511
5760 1 14 . 1 1 32 32 ASP CB C 30 40.289 40.289 40.308 -0.019 18511
5761 1 14 . 1 1 32 32 ASP H H 30 10.006 10.006 9.104 0.902 18511
5762 1 14 . 1 1 33 33 GLY N N 31 102.658 102.658 104.240 -1.582 18511
5763 1 14 . 1 1 33 33 GLY C C 31 173.809 173.809 173.534 0.275 18511
5764 1 14 . 1 1 33 33 GLY CA C 31 45.127 45.127 45.104 0.023 18511
5765 1 14 . 1 1 33 33 GLY H H 31 8.903 8.903 8.748 0.155 18511
5766 1 14 . 1 1 34 34 GLU N N 32 121.796 121.796 120.442 1.354 18511
5767 1 14 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.744 -0.002 18511
5768 1 14 . 1 1 34 34 GLU C C 32 175.789 175.789 175.107 0.682 18511
5769 1 14 . 1 1 34 34 GLU CA C 32 54.496 54.496 54.601 -0.105 18511
5770 1 14 . 1 1 34 34 GLU CB C 32 31.161 31.161 32.154 -0.993 18511
5771 1 14 . 1 1 34 34 GLU H H 32 8.152 8.152 7.795 0.357 18511
5772 1 14 . 1 1 35 35 ARG N N 33 126.589 126.589 125.597 0.992 18511
5773 1 14 . 1 1 35 35 ARG HA H 33 3.927 3.927 4.305 -0.378 18511
5774 1 14 . 1 1 35 35 ARG C C 33 176.296 176.296 175.602 0.694 18511
5775 1 14 . 1 1 35 35 ARG CA C 33 56.344 56.344 56.169 0.175 18511
5776 1 14 . 1 1 35 35 ARG CB C 33 29.803 29.803 30.118 -0.315 18511
5777 1 14 . 1 1 35 35 ARG H H 33 8.928 8.928 8.706 0.222 18511
5778 1 14 . 1 1 36 36 LEU N N 34 127.490 127.490 124.229 3.261 18511
5779 1 14 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.419 0.178 18511
5780 1 14 . 1 1 36 36 LEU C C 34 175.361 175.361 176.210 -0.849 18511
5781 1 14 . 1 1 36 36 LEU CA C 34 53.656 53.656 54.450 -0.795 18511
5782 1 14 . 1 1 36 36 LEU CB C 34 44.501 44.501 42.490 2.011 18511
5783 1 14 . 1 1 36 36 LEU H H 34 8.668 8.668 7.977 0.691 18511
5784 1 14 . 1 1 37 37 ALA N N 35 124.016 124.016 126.128 -2.112 18511
5785 1 14 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.573 -0.024 18511
5786 1 14 . 1 1 37 37 ALA C C 35 175.757 175.757 176.539 -0.782 18511
5787 1 14 . 1 1 37 37 ALA CA C 35 50.039 50.039 50.315 -0.275 18511
5788 1 14 . 1 1 37 37 ALA CB C 35 21.822 21.822 20.522 1.300 18511
5789 1 14 . 1 1 37 37 ALA H H 35 8.177 8.177 8.179 -0.002 18511
5790 1 14 . 1 1 38 38 SER N N 36 114.574 114.574 116.257 -1.683 18511
5791 1 14 . 1 1 38 38 SER HA H 36 4.440 4.440 4.456 -0.016 18511
5792 1 14 . 1 1 38 38 SER C C 36 174.005 174.005 174.192 -0.187 18511
5793 1 14 . 1 1 38 38 SER CA C 36 57.610 57.610 58.144 -0.534 18511
5794 1 14 . 1 1 38 38 SER CB C 36 62.056 62.056 62.897 -0.841 18511
5795 1 14 . 1 1 38 38 SER H H 36 8.444 8.444 8.467 -0.023 18511
5796 1 14 . 1 1 39 39 GLN N N 37 126.057 126.057 126.425 -0.368 18511
5797 1 14 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.526 -0.074 18511
5798 1 14 . 1 1 39 39 GLN C C 37 175.599 175.599 176.681 -1.082 18511
5799 1 14 . 1 1 39 39 GLN CA C 37 55.433 55.433 54.137 1.296 18511
5800 1 14 . 1 1 39 39 GLN CB C 37 29.970 29.970 31.364 -1.394 18511
5801 1 14 . 1 1 39 39 GLN H H 37 8.477 8.477 8.230 0.247 18511
5802 1 14 . 1 1 41 41 ARG HA H 39 4.228 4.228 4.316 -0.088 18511
5803 1 14 . 1 1 41 41 ARG C C 39 174.776 174.776 175.874 -1.098 18511
5804 1 14 . 1 1 41 41 ARG CA C 39 57.143 57.143 56.971 0.172 18511
5805 1 14 . 1 1 41 41 ARG CB C 39 30.504 30.504 30.373 0.131 18511
5806 1 14 . 1 1 42 42 VAL N N 40 119.931 119.931 120.373 -0.442 18511
5807 1 14 . 1 1 42 42 VAL HA H 40 4.602 4.602 4.270 0.332 18511
5808 1 14 . 1 1 42 42 VAL C C 40 174.854 174.854 174.771 0.083 18511
5809 1 14 . 1 1 42 42 VAL CA C 40 61.663 61.663 61.517 0.146 18511
5810 1 14 . 1 1 42 42 VAL CB C 40 32.800 32.800 30.227 2.573 18511
5811 1 14 . 1 1 42 42 VAL H H 40 7.662 7.662 7.828 -0.166 18511
5812 1 14 . 1 1 43 43 GLN N N 41 125.689 125.689 125.780 -0.091 18511
5813 1 14 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.424 0.107 18511
5814 1 14 . 1 1 43 43 GLN C C 41 173.952 173.952 174.693 -0.741 18511
5815 1 14 . 1 1 43 43 GLN CA C 41 53.656 53.656 54.905 -1.249 18511
5816 1 14 . 1 1 43 43 GLN CB C 41 31.817 31.817 28.729 3.088 18511
5817 1 14 . 1 1 43 43 GLN H H 41 8.937 8.937 8.450 0.487 18511
5818 1 14 . 1 1 44 44 LEU N N 42 123.562 123.562 127.815 -4.253 18511
5819 1 14 . 1 1 44 44 LEU HA H 42 4.984 4.984 4.406 0.578 18511
5820 1 14 . 1 1 44 44 LEU C C 42 176.565 176.565 176.386 0.179 18511
5821 1 14 . 1 1 44 44 LEU CA C 42 52.931 52.931 53.789 -0.858 18511
5822 1 14 . 1 1 44 44 LEU CB C 42 42.474 42.474 42.280 0.194 18511
5823 1 14 . 1 1 44 44 LEU H H 42 8.231 8.231 8.510 -0.279 18511
5824 1 14 . 1 1 45 45 GLU N N 43 124.016 124.016 125.778 -1.762 18511
5825 1 14 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.481 0.175 18511
5826 1 14 . 1 1 45 45 GLU C C 43 175.346 175.346 175.234 0.112 18511
5827 1 14 . 1 1 45 45 GLU CA C 43 54.723 54.723 55.370 -0.647 18511
5828 1 14 . 1 1 45 45 GLU CB C 43 32.841 32.841 31.532 1.309 18511
5829 1 14 . 1 1 45 45 GLU H H 43 9.309 9.309 8.453 0.856 18511
5830 1 14 . 1 1 46 46 GLN N N 44 125.220 125.220 121.941 3.279 18511
5831 1 14 . 1 1 46 46 GLN HA H 44 4.928 4.928 4.588 0.340 18511
5832 1 14 . 1 1 46 46 GLN C C 44 174.332 174.332 173.968 0.364 18511
5833 1 14 . 1 1 46 46 GLN CA C 44 54.832 54.832 54.719 0.113 18511
5834 1 14 . 1 1 46 46 GLN CB C 44 30.726 30.726 29.199 1.527 18511
5835 1 14 . 1 1 46 46 GLN H H 44 8.825 8.825 8.697 0.128 18511
5836 1 14 . 1 1 47 47 ALA N N 45 129.999 129.999 127.220 2.779 18511
5837 1 14 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.648 0.024 18511
5838 1 14 . 1 1 47 47 ALA C C 45 177.056 177.056 175.994 1.062 18511
5839 1 14 . 1 1 47 47 ALA CA C 45 50.716 50.716 51.080 -0.364 18511
5840 1 14 . 1 1 47 47 ALA CB C 45 18.798 18.798 21.715 -2.917 18511
5841 1 14 . 1 1 47 47 ALA H H 45 8.636 8.636 8.813 -0.177 18511
5842 1 14 . 1 1 48 48 GLY CA C 46 46.885 46.885 45.287 1.598 18511
5843 1 14 . 1 1 49 49 ALA HA H 47 4.183 4.183 3.838 0.345 18511
5844 1 14 . 1 1 49 49 ALA C C 47 176.586 176.586 176.674 -0.088 18511
5845 1 14 . 1 1 49 49 ALA CA C 47 53.068 53.068 53.753 -0.685 18511
5846 1 14 . 1 1 49 49 ALA CB C 47 18.714 18.714 17.847 0.867 18511
5847 1 14 . 1 1 50 50 ARG N N 48 119.282 119.282 123.487 -4.205 18511
5848 1 14 . 1 1 50 50 ARG HA H 48 4.635 4.635 4.581 0.054 18511
5849 1 14 . 1 1 50 50 ARG C C 48 174.348 174.348 175.472 -1.124 18511
5850 1 14 . 1 1 50 50 ARG CA C 48 55.672 55.672 55.434 0.238 18511
5851 1 14 . 1 1 50 50 ARG CB C 48 31.413 31.413 30.574 0.839 18511
5852 1 14 . 1 1 50 50 ARG H H 48 7.725 7.725 7.889 -0.164 18511
5853 1 14 . 1 1 51 51 GLN N N 49 125.499 125.499 124.645 0.854 18511
5854 1 14 . 1 1 51 51 GLN HA H 49 4.961 4.961 4.580 0.381 18511
5855 1 14 . 1 1 51 51 GLN C C 49 174.427 174.427 174.566 -0.139 18511
5856 1 14 . 1 1 51 51 GLN CA C 49 53.404 53.404 54.056 -0.652 18511
5857 1 14 . 1 1 51 51 GLN CB C 49 30.133 30.133 31.633 -1.500 18511
5858 1 14 . 1 1 51 51 GLN H H 49 9.086 9.086 8.295 0.791 18511
5859 1 14 . 1 1 52 52 VAL N N 50 121.957 121.957 121.783 0.174 18511
5860 1 14 . 1 1 52 52 VAL HA H 50 5.185 5.185 5.056 0.129 18511
5861 1 14 . 1 1 52 52 VAL C C 50 173.714 173.714 174.332 -0.618 18511
5862 1 14 . 1 1 52 52 VAL CA C 50 60.314 60.314 60.839 -0.525 18511
5863 1 14 . 1 1 52 52 VAL CB C 50 36.154 36.154 34.353 1.801 18511
5864 1 14 . 1 1 52 52 VAL H H 50 8.687 8.687 8.085 0.602 18511
5865 1 14 . 1 1 53 53 LEU N N 51 129.580 129.580 129.544 0.036 18511
5866 1 14 . 1 1 53 53 LEU HA H 51 4.389 4.389 4.775 -0.386 18511
5867 1 14 . 1 1 53 53 LEU C C 51 174.427 174.427 174.452 -0.025 18511
5868 1 14 . 1 1 53 53 LEU CA C 51 53.536 53.536 52.776 0.760 18511
5869 1 14 . 1 1 53 53 LEU CB C 51 42.056 42.056 42.535 -0.479 18511
5870 1 14 . 1 1 53 53 LEU H H 51 8.380 8.380 7.713 0.667 18511
5871 1 14 . 1 1 54 54 ARG N N 52 125.706 125.706 126.888 -1.182 18511
5872 1 14 . 1 1 54 54 ARG HA H 52 5.255 5.255 5.215 0.040 18511
5873 1 14 . 1 1 54 54 ARG C C 52 174.981 174.981 175.165 -0.184 18511
5874 1 14 . 1 1 54 54 ARG CA C 52 53.992 53.992 54.052 -0.060 18511
5875 1 14 . 1 1 54 54 ARG CB C 52 33.497 33.497 32.204 1.293 18511
5876 1 14 . 1 1 54 54 ARG H H 52 8.956 8.956 8.492 0.464 18511
5877 1 14 . 1 1 55 55 VAL N N 53 123.212 123.212 125.726 -2.514 18511
5878 1 14 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.598 0.021 18511
5879 1 14 . 1 1 55 55 VAL C C 53 175.124 175.124 175.187 -0.063 18511
5880 1 14 . 1 1 55 55 VAL CA C 53 61.092 61.092 61.405 -0.313 18511
5881 1 14 . 1 1 55 55 VAL CB C 53 34.527 34.527 32.184 2.344 18511
5882 1 14 . 1 1 55 55 VAL H H 53 8.511 8.511 8.481 0.030 18511
5883 1 14 . 1 1 56 56 GLN N N 54 126.653 126.653 127.903 -1.250 18511
5884 1 14 . 1 1 56 56 GLN HA H 54 4.518 4.518 4.000 0.518 18511
5885 1 14 . 1 1 56 56 GLN C C 54 176.296 176.296 176.069 0.227 18511
5886 1 14 . 1 1 56 56 GLN CA C 54 55.022 55.022 56.942 -1.920 18511
5887 1 14 . 1 1 56 56 GLN CB C 54 29.749 29.749 29.136 0.613 18511
5888 1 14 . 1 1 56 56 GLN H H 54 8.509 8.509 8.081 0.428 18511
5889 1 14 . 1 1 57 57 GLY N N 55 114.559 114.559 114.157 0.402 18511
5890 1 14 . 1 1 57 57 GLY C C 55 174.585 174.585 173.066 1.519 18511
5891 1 14 . 1 1 57 57 GLY CA C 55 47.319 47.319 44.955 2.365 18511
5892 1 14 . 1 1 57 57 GLY H H 55 8.420 8.420 8.293 0.127 18511
5893 1 14 . 1 1 58 58 ALA N N 56 122.793 122.793 124.383 -1.590 18511
5894 1 14 . 1 1 58 58 ALA HA H 56 4.088 4.088 3.869 0.219 18511
5895 1 14 . 1 1 58 58 ALA C C 56 177.120 177.120 175.385 1.735 18511
5896 1 14 . 1 1 58 58 ALA CA C 56 53.051 53.051 52.853 0.198 18511
5897 1 14 . 1 1 58 58 ALA CB C 56 18.051 18.051 17.640 0.411 18511
5898 1 14 . 1 1 58 58 ALA H H 56 8.977 8.977 8.092 0.885 18511
5899 1 14 . 1 1 59 59 ARG N N 57 122.118 122.118 121.462 0.656 18511
5900 1 14 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.504 0.247 18511
5901 1 14 . 1 1 59 59 ARG C C 57 177.231 177.231 175.324 1.907 18511
5902 1 14 . 1 1 59 59 ARG CA C 57 53.236 53.236 56.516 -3.280 18511
5903 1 14 . 1 1 59 59 ARG CB C 57 33.526 33.526 32.416 1.110 18511
5904 1 14 . 1 1 59 59 ARG H H 57 9.709 9.709 8.627 1.082 18511
5905 1 14 . 1 1 61 61 GLY C C 59 174.202 174.202 174.731 -0.529 18511
5906 1 14 . 1 1 61 61 GLY CA C 59 45.899 45.899 45.859 0.040 18511
5907 1 14 . 1 1 62 62 ASP N N 60 116.489 116.489 119.771 -3.282 18511
5908 1 14 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.636 0.035 18511
5909 1 14 . 1 1 62 62 ASP C C 60 176.692 176.692 176.174 0.518 18511
5910 1 14 . 1 1 62 62 ASP CA C 60 54.854 54.854 55.273 -0.419 18511
5911 1 14 . 1 1 62 62 ASP CB C 60 41.130 41.130 40.931 0.199 18511
5912 1 14 . 1 1 62 62 ASP H H 60 8.300 8.300 8.540 -0.240 18511
5913 1 14 . 1 1 63 63 ALA N N 61 122.793 122.793 121.041 1.752 18511
5914 1 14 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.598 -0.493 18511
5915 1 14 . 1 1 63 63 ALA C C 61 176.581 176.581 176.868 -0.287 18511
5916 1 14 . 1 1 63 63 ALA CA C 61 52.732 52.732 52.498 0.234 18511
5917 1 14 . 1 1 63 63 ALA CB C 61 19.806 19.806 18.978 0.828 18511
5918 1 14 . 1 1 63 63 ALA H H 61 7.551 7.551 7.599 -0.048 18511
5919 1 14 . 1 1 64 64 GLY N N 62 108.029 108.029 111.209 -3.180 18511
5920 1 14 . 1 1 64 64 GLY C C 62 171.274 171.274 171.790 -0.516 18511
5921 1 14 . 1 1 64 64 GLY CA C 62 44.826 44.826 45.238 -0.412 18511
5922 1 14 . 1 1 64 64 GLY H H 62 8.720 8.720 8.341 0.379 18511
5923 1 14 . 1 1 65 65 GLU N N 63 122.343 122.343 120.509 1.834 18511
5924 1 14 . 1 1 65 65 GLU HA H 63 5.134 5.134 5.179 -0.045 18511
5925 1 14 . 1 1 65 65 GLU C C 63 175.900 175.900 175.796 0.104 18511
5926 1 14 . 1 1 65 65 GLU CA C 63 55.309 55.309 55.678 -0.369 18511
5927 1 14 . 1 1 65 65 GLU CB C 63 31.183 31.183 29.921 1.262 18511
5928 1 14 . 1 1 65 65 GLU H H 63 9.038 9.038 8.423 0.615 18511
5929 1 14 . 1 1 66 66 TYR N N 64 128.776 128.776 124.950 3.826 18511
5930 1 14 . 1 1 66 66 TYR HA H 64 5.769 5.769 5.370 0.399 18511
5931 1 14 . 1 1 66 66 TYR C C 64 174.157 174.157 175.917 -1.760 18511
5932 1 14 . 1 1 66 66 TYR CA C 64 56.596 56.596 57.149 -0.553 18511
5933 1 14 . 1 1 66 66 TYR CB C 64 40.857 40.857 39.428 1.429 18511
5934 1 14 . 1 1 66 66 TYR H H 64 9.984 9.984 9.153 0.831 18511
5935 1 14 . 1 1 67 67 LEU N N 65 125.560 125.560 127.389 -1.829 18511
5936 1 14 . 1 1 67 67 LEU HA H 65 5.360 5.360 5.089 0.271 18511
5937 1 14 . 1 1 67 67 LEU C C 65 174.617 174.617 175.810 -1.193 18511
5938 1 14 . 1 1 67 67 LEU CA C 65 53.294 53.294 53.682 -0.389 18511
5939 1 14 . 1 1 67 67 LEU CB C 65 46.296 46.296 43.115 3.181 18511
5940 1 14 . 1 1 67 67 LEU H H 65 9.385 9.385 9.101 0.284 18511
5941 1 14 . 1 1 68 68 CYS N N 66 127.135 127.135 128.975 -1.840 18511
5942 1 14 . 1 1 68 68 CYS HA H 66 3.994 3.994 4.098 -0.104 18511
5943 1 14 . 1 1 68 68 CYS C C 66 172.383 172.383 173.513 -1.130 18511
5944 1 14 . 1 1 68 68 CYS CA C 66 57.828 57.828 56.085 1.743 18511
5945 1 14 . 1 1 68 68 CYS CB C 66 26.535 26.535 25.863 0.672 18511
5946 1 14 . 1 1 68 68 CYS H H 66 9.102 9.102 8.622 0.480 18511
5947 1 14 . 1 1 69 69 ASP N N 67 129.420 129.420 128.907 0.513 18511
5948 1 14 . 1 1 69 69 ASP HA H 67 4.953 4.953 5.036 -0.083 18511
5949 1 14 . 1 1 69 69 ASP C C 67 173.128 173.128 173.930 -0.802 18511
5950 1 14 . 1 1 69 69 ASP CA C 67 53.459 53.459 53.332 0.127 18511
5951 1 14 . 1 1 69 69 ASP CB C 67 44.249 44.249 43.649 0.600 18511
5952 1 14 . 1 1 69 69 ASP H H 67 9.296 9.296 8.021 1.275 18511
5953 1 14 . 1 1 70 70 ALA N N 68 129.162 129.162 127.301 1.861 18511
5954 1 14 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.846 0.208 18511
5955 1 14 . 1 1 70 70 ALA C C 68 175.108 175.108 175.962 -0.854 18511
5956 1 14 . 1 1 70 70 ALA CA C 68 49.404 49.404 49.270 0.134 18511
5957 1 14 . 1 1 70 70 ALA CB C 68 21.402 21.402 20.358 1.044 18511
5958 1 14 . 1 1 70 70 ALA H H 68 8.179 8.179 7.911 0.268 18511
5959 1 14 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.147 0.018 18511
5960 1 14 . 1 1 71 71 PRO C C 69 177.840 177.840 177.186 0.654 18511
5961 1 14 . 1 1 71 71 PRO CA C 69 65.906 65.906 64.663 1.243 18511
5962 1 14 . 1 1 71 71 PRO CB C 69 31.744 31.744 31.947 -0.203 18511
5963 1 14 . 1 1 72 72 GLN N N 70 113.851 113.851 118.629 -4.778 18511
5964 1 14 . 1 1 72 72 GLN HA H 70 4.363 4.363 4.244 0.119 18511
5965 1 14 . 1 1 72 72 GLN C C 70 174.744 174.744 174.934 -0.190 18511
5966 1 14 . 1 1 72 72 GLN CA C 70 55.239 55.239 56.298 -1.060 18511
5967 1 14 . 1 1 72 72 GLN CB C 70 29.355 29.355 29.403 -0.048 18511
5968 1 14 . 1 1 72 72 GLN H H 70 9.053 9.053 8.245 0.808 18511
5969 1 14 . 1 1 73 73 ASP N N 71 118.081 118.081 116.367 1.714 18511
5970 1 14 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.619 0.205 18511
5971 1 14 . 1 1 73 73 ASP C C 71 173.017 173.017 174.394 -1.377 18511
5972 1 14 . 1 1 73 73 ASP CA C 71 53.992 53.992 53.593 0.399 18511
5973 1 14 . 1 1 73 73 ASP CB C 71 44.449 44.449 43.205 1.244 18511
5974 1 14 . 1 1 73 73 ASP H H 71 7.336 7.336 8.022 -0.686 18511
5975 1 14 . 1 1 74 74 SER N N 72 114.356 114.356 116.555 -2.199 18511
5976 1 14 . 1 1 74 74 SER HA H 72 5.209 5.209 5.172 0.037 18511
5977 1 14 . 1 1 74 74 SER C C 72 174.189 174.189 174.003 0.186 18511
5978 1 14 . 1 1 74 74 SER CA C 72 57.604 57.604 56.733 0.871 18511
5979 1 14 . 1 1 74 74 SER CB C 72 64.697 64.697 64.837 -0.140 18511
5980 1 14 . 1 1 74 74 SER H H 72 8.161 8.161 8.461 -0.300 18511
5981 1 14 . 1 1 75 75 ARG N N 73 122.793 122.793 126.737 -3.944 18511
5982 1 14 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.785 -0.089 18511
5983 1 14 . 1 1 75 75 ARG C C 73 173.460 173.460 174.643 -1.183 18511
5984 1 14 . 1 1 75 75 ARG CA C 73 53.404 53.404 53.755 -0.351 18511
5985 1 14 . 1 1 75 75 ARG CB C 73 33.600 33.600 32.817 0.783 18511
5986 1 14 . 1 1 75 75 ARG H H 73 8.592 8.592 8.715 -0.123 18511
5987 1 14 . 1 1 76 76 ILE N N 74 122.343 122.343 123.023 -0.680 18511
5988 1 14 . 1 1 76 76 ILE HA H 74 5.154 5.154 4.273 0.881 18511
5989 1 14 . 1 1 76 76 ILE C C 74 175.266 175.266 174.898 0.368 18511
5990 1 14 . 1 1 76 76 ILE CA C 74 59.620 59.620 61.251 -1.631 18511
5991 1 14 . 1 1 76 76 ILE CB C 74 40.889 40.889 38.436 2.453 18511
5992 1 14 . 1 1 76 76 ILE H H 74 8.262 8.262 8.661 -0.399 18511
5993 1 14 . 1 1 77 77 PHE N N 75 126.428 126.428 127.427 -0.999 18511
5994 1 14 . 1 1 77 77 PHE HA H 75 5.524 5.524 5.088 0.436 18511
5995 1 14 . 1 1 77 77 PHE C C 75 174.680 174.680 175.534 -0.854 18511
5996 1 14 . 1 1 77 77 PHE CA C 75 55.570 55.570 55.951 -0.381 18511
5997 1 14 . 1 1 77 77 PHE CB C 75 42.186 42.186 39.382 2.804 18511
5998 1 14 . 1 1 77 77 PHE H H 75 9.932 9.932 8.841 1.091 18511
5999 1 14 . 1 1 78 78 LEU N N 76 126.068 126.068 126.651 -0.583 18511
6000 1 14 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.433 0.691 18511
6001 1 14 . 1 1 78 78 LEU C C 76 176.138 176.138 175.864 0.274 18511
6002 1 14 . 1 1 78 78 LEU CA C 76 53.799 53.799 54.740 -0.941 18511
6003 1 14 . 1 1 78 78 LEU CB C 76 41.851 41.851 41.014 0.837 18511
6004 1 14 . 1 1 78 78 LEU H H 76 9.091 9.091 8.804 0.287 18511
6005 1 14 . 1 1 79 79 VAL N N 77 129.130 129.130 127.147 1.983 18511
6006 1 14 . 1 1 79 79 VAL HA H 77 5.109 5.109 5.057 0.052 18511
6007 1 14 . 1 1 79 79 VAL C C 77 176.597 176.597 175.298 1.299 18511
6008 1 14 . 1 1 79 79 VAL CA C 77 61.384 61.384 61.412 -0.028 18511
6009 1 14 . 1 1 79 79 VAL CB C 77 33.846 33.846 32.893 0.953 18511
6010 1 14 . 1 1 79 79 VAL H H 77 9.408 9.408 8.283 1.125 18511
6011 1 14 . 1 1 80 80 SER N N 78 124.016 124.016 124.214 -0.198 18511
6012 1 14 . 1 1 80 80 SER HA H 78 4.908 4.908 4.868 0.040 18511
6013 1 14 . 1 1 80 80 SER C C 78 172.431 172.431 173.829 -1.398 18511
6014 1 14 . 1 1 80 80 SER CA C 78 56.344 56.344 56.815 -0.471 18511
6015 1 14 . 1 1 80 80 SER CB C 78 65.164 65.164 64.037 1.127 18511
6016 1 14 . 1 1 80 80 SER H H 78 9.125 9.125 8.389 0.736 18511
6017 1 14 . 1 1 81 81 VAL N N 79 124.402 124.402 127.195 -2.793 18511
6018 1 14 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.524 0.011 18511
6019 1 14 . 1 1 81 81 VAL C C 79 174.744 174.744 176.279 -1.535 18511
6020 1 14 . 1 1 81 81 VAL CA C 79 61.028 61.028 62.388 -1.360 18511
6021 1 14 . 1 1 81 81 VAL CB C 79 32.741 32.741 31.053 1.688 18511
6022 1 14 . 1 1 81 81 VAL H H 79 8.638 8.638 8.765 -0.127 18511
6023 1 14 . 1 1 82 82 GLU N N 80 124.145 124.145 125.706 -1.561 18511
6024 1 14 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.621 -0.060 18511
6025 1 14 . 1 1 82 82 GLU C C 80 174.839 174.839 174.689 0.150 18511
6026 1 14 . 1 1 82 82 GLU CA C 80 54.664 54.664 54.924 -0.260 18511
6027 1 14 . 1 1 82 82 GLU CB C 80 32.237 32.237 31.989 0.248 18511
6028 1 14 . 1 1 82 82 GLU H H 80 8.281 8.281 8.778 -0.497 18511
6029 1 14 . 1 1 83 83 GLU N N 81 123.244 123.244 118.840 4.404 18511
6030 1 14 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.120 0.319 18511
6031 1 14 . 1 1 83 83 GLU C C 81 173.841 173.841 174.331 -0.490 18511
6032 1 14 . 1 1 83 83 GLU CA C 81 54.611 54.611 55.736 -1.125 18511
6033 1 14 . 1 1 83 83 GLU CB C 81 29.046 29.046 29.023 0.023 18511
6034 1 14 . 1 1 83 83 GLU H H 81 8.656 8.656 8.627 0.029 18511
6035 1 15 . 1 1 4 4 THR N N 2 121.282 121.282 121.666 -0.384 18511
6036 1 15 . 1 1 4 4 THR HA H 2 4.463 4.463 4.405 0.058 18511
6037 1 15 . 1 1 4 4 THR C C 2 173.255 173.255 172.872 0.383 18511
6038 1 15 . 1 1 4 4 THR CA C 2 62.056 62.056 61.934 0.122 18511
6039 1 15 . 1 1 4 4 THR CB C 2 70.955 70.955 67.874 3.081 18511
6040 1 15 . 1 1 4 4 THR H H 2 8.319 8.319 8.422 -0.103 18511
6041 1 15 . 1 1 5 5 ARG N N 3 127.535 127.535 125.444 2.091 18511
6042 1 15 . 1 1 5 5 ARG HA H 3 5.083 5.083 4.609 0.474 18511
6043 1 15 . 1 1 5 5 ARG C C 3 175.694 175.694 174.997 0.697 18511
6044 1 15 . 1 1 5 5 ARG CA C 3 55.236 55.236 55.297 -0.061 18511
6045 1 15 . 1 1 5 5 ARG CB C 3 30.776 30.776 33.563 -2.787 18511
6046 1 15 . 1 1 5 5 ARG H H 3 8.958 8.958 8.331 0.627 18511
6047 1 15 . 1 1 6 6 VAL N N 4 125.495 125.495 122.348 3.147 18511
6048 1 15 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.414 -0.082 18511
6049 1 15 . 1 1 6 6 VAL C C 4 173.365 173.365 174.696 -1.331 18511
6050 1 15 . 1 1 6 6 VAL CA C 4 61.473 61.473 60.992 0.481 18511
6051 1 15 . 1 1 6 6 VAL CB C 4 35.854 35.854 35.892 -0.038 18511
6052 1 15 . 1 1 6 6 VAL H H 4 8.812 8.812 8.418 0.394 18511
6053 1 15 . 1 1 7 7 ARG N N 5 127.554 127.554 124.930 2.624 18511
6054 1 15 . 1 1 7 7 ARG HA H 5 5.175 5.175 4.797 0.378 18511
6055 1 15 . 1 1 7 7 ARG C C 5 175.694 175.694 175.434 0.260 18511
6056 1 15 . 1 1 7 7 ARG CA C 5 54.373 54.373 55.536 -1.163 18511
6057 1 15 . 1 1 7 7 ARG CB C 5 31.679 31.679 31.004 0.675 18511
6058 1 15 . 1 1 7 7 ARG H H 5 8.712 8.712 8.666 0.046 18511
6059 1 15 . 1 1 8 8 SER N N 6 120.281 120.281 119.718 0.563 18511
6060 1 15 . 1 1 8 8 SER HA H 6 4.762 4.762 4.763 -0.001 18511
6061 1 15 . 1 1 8 8 SER C C 6 173.555 173.555 173.798 -0.243 18511
6062 1 15 . 1 1 8 8 SER CA C 6 56.428 56.428 56.412 0.016 18511
6063 1 15 . 1 1 8 8 SER CB C 6 65.450 65.450 64.303 1.147 18511
6064 1 15 . 1 1 8 8 SER H H 6 8.669 8.669 8.520 0.149 18511
6065 1 15 . 1 1 9 9 THR N N 7 117.885 117.885 114.097 3.788 18511
6066 1 15 . 1 1 9 9 THR HA H 7 4.847 4.847 5.472 -0.625 18511
6067 1 15 . 1 1 9 9 THR C C 7 172.748 172.748 173.229 -0.481 18511
6068 1 15 . 1 1 9 9 THR CA C 7 59.436 59.436 58.228 1.208 18511
6069 1 15 . 1 1 9 9 THR CB C 7 69.938 69.938 69.016 0.922 18511
6070 1 15 . 1 1 9 9 THR H H 7 8.362 8.362 8.144 0.218 18511
6071 1 15 . 1 1 10 10 PRO HA H 8 4.060 4.060 3.960 0.100 18511
6072 1 15 . 1 1 10 10 PRO C C 8 177.966 177.966 177.482 0.484 18511
6073 1 15 . 1 1 10 10 PRO CA C 8 63.484 63.484 63.911 -0.427 18511
6074 1 15 . 1 1 10 10 PRO CB C 8 30.986 30.986 30.195 0.791 18511
6075 1 15 . 1 1 11 11 GLY N N 9 114.800 114.800 113.809 0.991 18511
6076 1 15 . 1 1 11 11 GLY C C 9 174.870 174.870 175.102 -0.232 18511
6077 1 15 . 1 1 11 11 GLY CA C 9 45.147 45.147 45.110 0.037 18511
6078 1 15 . 1 1 11 11 GLY H H 9 9.824 9.824 8.629 1.195 18511
6079 1 15 . 1 1 12 12 GLY N N 10 109.721 109.721 107.404 2.317 18511
6080 1 15 . 1 1 12 12 GLY C C 10 171.924 171.924 173.674 -1.750 18511
6081 1 15 . 1 1 12 12 GLY CA C 10 43.913 43.913 44.820 -0.907 18511
6082 1 15 . 1 1 12 12 GLY H H 10 8.172 8.172 7.931 0.241 18511
6083 1 15 . 1 1 13 13 ASP N N 11 119.275 119.275 117.443 1.832 18511
6084 1 15 . 1 1 13 13 ASP HA H 11 5.316 5.316 4.218 1.098 18511
6085 1 15 . 1 1 13 13 ASP C C 11 176.185 176.185 175.011 1.174 18511
6086 1 15 . 1 1 13 13 ASP CA C 11 53.404 53.404 55.020 -1.616 18511
6087 1 15 . 1 1 13 13 ASP CB C 11 41.309 41.309 39.616 1.693 18511
6088 1 15 . 1 1 13 13 ASP H H 11 8.442 8.442 7.795 0.647 18511
6089 1 15 . 1 1 14 14 LEU N N 12 125.431 125.431 123.806 1.625 18511
6090 1 15 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.453 -0.027 18511
6091 1 15 . 1 1 14 14 LEU C C 12 174.934 174.934 175.647 -0.713 18511
6092 1 15 . 1 1 14 14 LEU CA C 12 53.697 53.697 54.536 -0.839 18511
6093 1 15 . 1 1 14 14 LEU CB C 12 44.170 44.170 43.757 0.413 18511
6094 1 15 . 1 1 14 14 LEU H H 12 8.889 8.889 8.136 0.753 18511
6095 1 15 . 1 1 15 15 GLU N N 13 126.203 126.203 126.713 -0.510 18511
6096 1 15 . 1 1 15 15 GLU HA H 13 4.901 4.901 4.779 0.122 18511
6097 1 15 . 1 1 15 15 GLU C C 13 173.555 173.555 175.161 -1.606 18511
6098 1 15 . 1 1 15 15 GLU CA C 13 55.168 55.168 55.167 0.001 18511
6099 1 15 . 1 1 15 15 GLU CB C 13 32.489 32.489 31.496 0.993 18511
6100 1 15 . 1 1 15 15 GLU H H 13 8.469 8.469 8.351 0.118 18511
6101 1 15 . 1 1 16 16 LEU N N 14 127.480 127.480 129.229 -1.749 18511
6102 1 15 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.423 -0.201 18511
6103 1 15 . 1 1 16 16 LEU C C 14 174.221 174.221 175.445 -1.224 18511
6104 1 15 . 1 1 16 16 LEU CA C 14 52.900 52.900 54.180 -1.280 18511
6105 1 15 . 1 1 16 16 LEU CB C 14 40.861 40.861 41.705 -0.844 18511
6106 1 15 . 1 1 16 16 LEU H H 14 9.082 9.082 8.690 0.392 18511
6107 1 15 . 1 1 17 17 VAL N N 15 122.038 122.038 126.255 -4.217 18511
6108 1 15 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.447 0.314 18511
6109 1 15 . 1 1 17 17 VAL C C 15 175.330 175.330 176.035 -0.705 18511
6110 1 15 . 1 1 17 17 VAL CA C 15 61.468 61.468 61.486 -0.018 18511
6111 1 15 . 1 1 17 17 VAL CB C 15 33.749 33.749 32.241 1.508 18511
6112 1 15 . 1 1 17 17 VAL H H 15 8.105 8.105 8.326 -0.221 18511
6113 1 15 . 1 1 18 18 VAL N N 16 127.741 127.741 124.191 3.550 18511
6114 1 15 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.676 -0.391 18511
6115 1 15 . 1 1 18 18 VAL C C 16 173.555 173.555 175.303 -1.748 18511
6116 1 15 . 1 1 18 18 VAL CA C 16 61.020 61.020 60.761 0.259 18511
6117 1 15 . 1 1 18 18 VAL CB C 16 35.604 35.604 33.956 1.648 18511
6118 1 15 . 1 1 18 18 VAL H H 16 9.335 9.335 8.181 1.154 18511
6119 1 15 . 1 1 19 19 HIS N N 17 126.695 126.695 122.196 4.499 18511
6120 1 15 . 1 1 19 19 HIS HA H 17 5.023 5.023 4.821 0.202 18511
6121 1 15 . 1 1 19 19 HIS C C 17 175.710 175.710 174.971 0.739 18511
6122 1 15 . 1 1 19 19 HIS CA C 17 55.225 55.225 55.058 0.167 18511
6123 1 15 . 1 1 19 19 HIS CB C 17 30.418 30.418 29.721 0.697 18511
6124 1 15 . 1 1 19 19 HIS H H 17 8.710 8.710 8.672 0.038 18511
6125 1 15 . 1 1 20 20 LEU N N 18 124.981 124.981 118.735 6.246 18511
6126 1 15 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.253 0.058 18511
6127 1 15 . 1 1 20 20 LEU C C 18 177.357 177.357 177.719 -0.362 18511
6128 1 15 . 1 1 20 20 LEU CA C 18 54.162 54.162 55.681 -1.519 18511
6129 1 15 . 1 1 20 20 LEU CB C 18 43.005 43.005 42.279 0.726 18511
6130 1 15 . 1 1 20 20 LEU H H 18 8.941 8.941 7.609 1.332 18511
6131 1 15 . 1 1 21 21 SER N N 19 116.428 116.428 116.777 -0.349 18511
6132 1 15 . 1 1 21 21 SER HA H 19 4.280 4.280 4.518 -0.238 18511
6133 1 15 . 1 1 21 21 SER C C 19 174.348 174.348 174.807 -0.459 18511
6134 1 15 . 1 1 21 21 SER CA C 19 59.696 59.696 57.955 1.741 18511
6135 1 15 . 1 1 21 21 SER CB C 19 63.364 63.364 63.393 -0.029 18511
6136 1 15 . 1 1 21 21 SER H H 19 9.513 9.513 8.359 1.154 18511
6137 1 15 . 1 1 22 22 GLY N N 20 107.975 107.975 110.953 -2.978 18511
6138 1 15 . 1 1 22 22 GLY C C 20 171.306 171.306 173.211 -1.905 18511
6139 1 15 . 1 1 22 22 GLY CA C 20 44.193 44.193 43.764 0.429 18511
6140 1 15 . 1 1 22 22 GLY H H 20 7.532 7.532 7.868 -0.336 18511
6141 1 15 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.439 -0.076 18511
6142 1 15 . 1 1 23 23 PRO C C 21 177.141 177.141 176.912 0.229 18511
6143 1 15 . 1 1 23 23 PRO CA C 21 63.096 63.096 62.549 0.547 18511
6144 1 15 . 1 1 23 23 PRO CB C 21 32.105 32.105 32.751 -0.646 18511
6145 1 15 . 1 1 24 24 GLY N N 22 107.827 107.827 107.566 0.261 18511
6146 1 15 . 1 1 24 24 GLY C C 22 173.270 173.270 175.365 -2.095 18511
6147 1 15 . 1 1 24 24 GLY CA C 22 45.013 45.013 44.707 0.306 18511
6148 1 15 . 1 1 24 24 GLY H H 22 8.264 8.264 7.984 0.280 18511
6149 1 15 . 1 1 25 25 GLY N N 23 108.700 108.700 110.834 -2.134 18511
6150 1 15 . 1 1 25 25 GLY C C 23 170.292 170.292 173.433 -3.141 18511
6151 1 15 . 1 1 25 25 GLY CA C 23 43.573 43.573 44.745 -1.173 18511
6152 1 15 . 1 1 25 25 GLY H H 23 7.797 7.797 8.370 -0.573 18511
6153 1 15 . 1 1 26 26 PRO HA H 24 4.574 4.574 4.393 0.181 18511
6154 1 15 . 1 1 26 26 PRO C C 24 175.331 175.331 175.896 -0.565 18511
6155 1 15 . 1 1 26 26 PRO CA C 24 62.105 62.105 63.336 -1.231 18511
6156 1 15 . 1 1 26 26 PRO CB C 24 34.842 34.842 32.017 2.825 18511
6157 1 15 . 1 1 27 27 VAL N N 25 121.565 121.565 123.321 -1.756 18511
6158 1 15 . 1 1 27 27 VAL HA H 25 4.662 4.662 4.026 0.636 18511
6159 1 15 . 1 1 27 27 VAL C C 25 175.742 175.742 176.365 -0.623 18511
6160 1 15 . 1 1 27 27 VAL CA C 25 61.384 61.384 62.644 -1.260 18511
6161 1 15 . 1 1 27 27 VAL CB C 25 32.971 32.971 32.112 0.859 18511
6162 1 15 . 1 1 27 27 VAL H H 25 8.579 8.579 8.275 0.304 18511
6163 1 15 . 1 1 28 28 ARG N N 26 127.876 127.876 124.939 2.937 18511
6164 1 15 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.487 0.095 18511
6165 1 15 . 1 1 28 28 ARG C C 26 173.144 173.144 175.041 -1.897 18511
6166 1 15 . 1 1 28 28 ARG CA C 26 54.861 54.861 54.782 0.079 18511
6167 1 15 . 1 1 28 28 ARG CB C 26 34.589 34.589 32.289 2.300 18511
6168 1 15 . 1 1 28 28 ARG H H 26 8.856 8.856 8.560 0.296 18511
6169 1 15 . 1 1 29 29 TRP N N 27 121.571 121.571 119.259 2.312 18511
6170 1 15 . 1 1 29 29 TRP HA H 27 5.986 5.986 5.541 0.445 18511
6171 1 15 . 1 1 29 29 TRP C C 27 175.932 175.932 175.795 0.137 18511
6172 1 15 . 1 1 29 29 TRP CA C 27 55.504 55.504 55.989 -0.485 18511
6173 1 15 . 1 1 29 29 TRP CB C 27 32.584 32.584 32.285 0.299 18511
6174 1 15 . 1 1 29 29 TRP H H 27 8.858 8.858 8.468 0.390 18511
6175 1 15 . 1 1 30 30 TYR N N 28 118.451 118.451 122.322 -3.871 18511
6176 1 15 . 1 1 30 30 TYR HA H 28 5.332 5.332 4.730 0.602 18511
6177 1 15 . 1 1 30 30 TYR C C 28 175.108 175.108 174.324 0.784 18511
6178 1 15 . 1 1 30 30 TYR CA C 28 55.924 55.924 56.831 -0.907 18511
6179 1 15 . 1 1 30 30 TYR CB C 28 43.194 43.194 42.498 0.695 18511
6180 1 15 . 1 1 30 30 TYR H H 28 9.605 9.605 9.047 0.558 18511
6181 1 15 . 1 1 31 31 LYS N N 29 120.638 120.638 119.853 0.785 18511
6182 1 15 . 1 1 31 31 LYS HA H 29 4.790 4.790 4.722 0.068 18511
6183 1 15 . 1 1 31 31 LYS C C 29 176.565 176.565 176.005 0.560 18511
6184 1 15 . 1 1 31 31 LYS CA C 29 54.496 54.496 55.721 -1.225 18511
6185 1 15 . 1 1 31 31 LYS CB C 29 35.345 35.345 35.125 0.220 18511
6186 1 15 . 1 1 31 31 LYS H H 29 9.055 9.055 8.525 0.530 18511
6187 1 15 . 1 1 32 32 ASP N N 30 131.009 131.009 127.668 3.341 18511
6188 1 15 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.276 0.170 18511
6189 1 15 . 1 1 32 32 ASP C C 30 176.344 176.344 176.444 -0.100 18511
6190 1 15 . 1 1 32 32 ASP CA C 30 55.846 55.846 55.342 0.504 18511
6191 1 15 . 1 1 32 32 ASP CB C 30 40.289 40.289 40.222 0.067 18511
6192 1 15 . 1 1 32 32 ASP H H 30 10.006 10.006 9.000 1.006 18511
6193 1 15 . 1 1 33 33 GLY N N 31 102.658 102.658 104.053 -1.395 18511
6194 1 15 . 1 1 33 33 GLY C C 31 173.809 173.809 173.574 0.235 18511
6195 1 15 . 1 1 33 33 GLY CA C 31 45.127 45.127 45.032 0.095 18511
6196 1 15 . 1 1 33 33 GLY H H 31 8.903 8.903 8.707 0.196 18511
6197 1 15 . 1 1 34 34 GLU N N 32 121.796 121.796 121.257 0.539 18511
6198 1 15 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.772 -0.030 18511
6199 1 15 . 1 1 34 34 GLU C C 32 175.789 175.789 175.534 0.255 18511
6200 1 15 . 1 1 34 34 GLU CA C 32 54.496 54.496 54.535 -0.039 18511
6201 1 15 . 1 1 34 34 GLU CB C 32 31.161 31.161 31.990 -0.829 18511
6202 1 15 . 1 1 34 34 GLU H H 32 8.152 8.152 7.900 0.252 18511
6203 1 15 . 1 1 35 35 ARG N N 33 126.589 126.589 125.661 0.928 18511
6204 1 15 . 1 1 35 35 ARG HA H 33 3.927 3.927 4.119 -0.192 18511
6205 1 15 . 1 1 35 35 ARG C C 33 176.296 176.296 175.395 0.901 18511
6206 1 15 . 1 1 35 35 ARG CA C 33 56.344 56.344 56.349 -0.005 18511
6207 1 15 . 1 1 35 35 ARG CB C 33 29.803 29.803 29.896 -0.093 18511
6208 1 15 . 1 1 35 35 ARG H H 33 8.928 8.928 8.715 0.213 18511
6209 1 15 . 1 1 36 36 LEU N N 34 127.490 127.490 124.395 3.095 18511
6210 1 15 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.339 0.258 18511
6211 1 15 . 1 1 36 36 LEU C C 34 175.361 175.361 176.341 -0.980 18511
6212 1 15 . 1 1 36 36 LEU CA C 34 53.656 53.656 54.267 -0.611 18511
6213 1 15 . 1 1 36 36 LEU CB C 34 44.501 44.501 42.449 2.052 18511
6214 1 15 . 1 1 36 36 LEU H H 34 8.668 8.668 7.965 0.703 18511
6215 1 15 . 1 1 37 37 ALA N N 35 124.016 124.016 125.975 -1.959 18511
6216 1 15 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.532 0.017 18511
6217 1 15 . 1 1 37 37 ALA C C 35 175.757 175.757 176.921 -1.164 18511
6218 1 15 . 1 1 37 37 ALA CA C 35 50.039 50.039 50.601 -0.562 18511
6219 1 15 . 1 1 37 37 ALA CB C 35 21.822 21.822 20.127 1.695 18511
6220 1 15 . 1 1 37 37 ALA H H 35 8.177 8.177 8.176 0.001 18511
6221 1 15 . 1 1 38 38 SER N N 36 114.574 114.574 115.837 -1.263 18511
6222 1 15 . 1 1 38 38 SER HA H 36 4.440 4.440 4.467 -0.027 18511
6223 1 15 . 1 1 38 38 SER C C 36 174.005 174.005 174.262 -0.257 18511
6224 1 15 . 1 1 38 38 SER CA C 36 57.610 57.610 57.981 -0.371 18511
6225 1 15 . 1 1 38 38 SER CB C 36 62.056 62.056 62.851 -0.795 18511
6226 1 15 . 1 1 38 38 SER H H 36 8.444 8.444 8.477 -0.033 18511
6227 1 15 . 1 1 39 39 GLN N N 37 126.057 126.057 125.864 0.193 18511
6228 1 15 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.485 -0.033 18511
6229 1 15 . 1 1 39 39 GLN C C 37 175.599 175.599 176.650 -1.051 18511
6230 1 15 . 1 1 39 39 GLN CA C 37 55.433 55.433 54.097 1.336 18511
6231 1 15 . 1 1 39 39 GLN CB C 37 29.970 29.970 31.235 -1.265 18511
6232 1 15 . 1 1 39 39 GLN H H 37 8.477 8.477 7.860 0.617 18511
6233 1 15 . 1 1 41 41 ARG HA H 39 4.228 4.228 4.144 0.084 18511
6234 1 15 . 1 1 41 41 ARG C C 39 174.776 174.776 176.087 -1.311 18511
6235 1 15 . 1 1 41 41 ARG CA C 39 57.143 57.143 56.956 0.187 18511
6236 1 15 . 1 1 41 41 ARG CB C 39 30.504 30.504 30.349 0.155 18511
6237 1 15 . 1 1 42 42 VAL N N 40 119.931 119.931 121.673 -1.742 18511
6238 1 15 . 1 1 42 42 VAL HA H 40 4.602 4.602 4.568 0.034 18511
6239 1 15 . 1 1 42 42 VAL C C 40 174.854 174.854 174.810 0.044 18511
6240 1 15 . 1 1 42 42 VAL CA C 40 61.663 61.663 61.883 -0.220 18511
6241 1 15 . 1 1 42 42 VAL CB C 40 32.800 32.800 31.197 1.603 18511
6242 1 15 . 1 1 42 42 VAL H H 40 7.662 7.662 7.809 -0.147 18511
6243 1 15 . 1 1 43 43 GLN N N 41 125.689 125.689 125.330 0.359 18511
6244 1 15 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.402 0.129 18511
6245 1 15 . 1 1 43 43 GLN C C 41 173.952 173.952 174.772 -0.820 18511
6246 1 15 . 1 1 43 43 GLN CA C 41 53.656 53.656 54.195 -0.539 18511
6247 1 15 . 1 1 43 43 GLN CB C 41 31.817 31.817 28.279 3.538 18511
6248 1 15 . 1 1 43 43 GLN H H 41 8.937 8.937 8.479 0.458 18511
6249 1 15 . 1 1 44 44 LEU N N 42 123.562 123.562 127.867 -4.305 18511
6250 1 15 . 1 1 44 44 LEU HA H 42 4.984 4.984 4.580 0.404 18511
6251 1 15 . 1 1 44 44 LEU C C 42 176.565 176.565 176.689 -0.124 18511
6252 1 15 . 1 1 44 44 LEU CA C 42 52.931 52.931 53.913 -0.982 18511
6253 1 15 . 1 1 44 44 LEU CB C 42 42.474 42.474 41.665 0.809 18511
6254 1 15 . 1 1 44 44 LEU H H 42 8.231 8.231 8.599 -0.368 18511
6255 1 15 . 1 1 45 45 GLU N N 43 124.016 124.016 127.030 -3.014 18511
6256 1 15 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.379 0.277 18511
6257 1 15 . 1 1 45 45 GLU C C 43 175.346 175.346 175.222 0.124 18511
6258 1 15 . 1 1 45 45 GLU CA C 43 54.723 54.723 55.192 -0.469 18511
6259 1 15 . 1 1 45 45 GLU CB C 43 32.841 32.841 30.562 2.279 18511
6260 1 15 . 1 1 45 45 GLU H H 43 9.309 9.309 8.525 0.784 18511
6261 1 15 . 1 1 46 46 GLN N N 44 125.220 125.220 127.717 -2.497 18511
6262 1 15 . 1 1 46 46 GLN HA H 44 4.928 4.928 4.678 0.250 18511
6263 1 15 . 1 1 46 46 GLN C C 44 174.332 174.332 174.778 -0.446 18511
6264 1 15 . 1 1 46 46 GLN CA C 44 54.832 54.832 55.266 -0.434 18511
6265 1 15 . 1 1 46 46 GLN CB C 44 30.726 30.726 28.424 2.302 18511
6266 1 15 . 1 1 46 46 GLN H H 44 8.825 8.825 8.749 0.076 18511
6267 1 15 . 1 1 47 47 ALA N N 45 129.999 129.999 129.097 0.902 18511
6268 1 15 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.727 -0.055 18511
6269 1 15 . 1 1 47 47 ALA C C 45 177.056 177.056 176.624 0.432 18511
6270 1 15 . 1 1 47 47 ALA CA C 45 50.716 50.716 50.774 -0.058 18511
6271 1 15 . 1 1 47 47 ALA CB C 45 18.798 18.798 21.285 -2.486 18511
6272 1 15 . 1 1 47 47 ALA H H 45 8.636 8.636 8.208 0.428 18511
6273 1 15 . 1 1 48 48 GLY CA C 46 46.885 46.885 45.821 1.064 18511
6274 1 15 . 1 1 49 49 ALA HA H 47 4.183 4.183 3.902 0.281 18511
6275 1 15 . 1 1 49 49 ALA C C 47 176.586 176.586 176.489 0.097 18511
6276 1 15 . 1 1 49 49 ALA CA C 47 53.068 53.068 53.618 -0.550 18511
6277 1 15 . 1 1 49 49 ALA CB C 47 18.714 18.714 17.840 0.874 18511
6278 1 15 . 1 1 50 50 ARG N N 48 119.282 119.282 121.913 -2.631 18511
6279 1 15 . 1 1 50 50 ARG HA H 48 4.635 4.635 4.592 0.043 18511
6280 1 15 . 1 1 50 50 ARG C C 48 174.348 174.348 175.266 -0.918 18511
6281 1 15 . 1 1 50 50 ARG CA C 48 55.672 55.672 55.120 0.552 18511
6282 1 15 . 1 1 50 50 ARG CB C 48 31.413 31.413 30.445 0.968 18511
6283 1 15 . 1 1 50 50 ARG H H 48 7.725 7.725 7.439 0.286 18511
6284 1 15 . 1 1 51 51 GLN N N 49 125.499 125.499 126.250 -0.751 18511
6285 1 15 . 1 1 51 51 GLN HA H 49 4.961 4.961 5.069 -0.108 18511
6286 1 15 . 1 1 51 51 GLN C C 49 174.427 174.427 175.332 -0.905 18511
6287 1 15 . 1 1 51 51 GLN CA C 49 53.404 53.404 54.439 -1.035 18511
6288 1 15 . 1 1 51 51 GLN CB C 49 30.133 30.133 29.905 0.228 18511
6289 1 15 . 1 1 51 51 GLN H H 49 9.086 9.086 8.411 0.675 18511
6290 1 15 . 1 1 52 52 VAL N N 50 121.957 121.957 126.647 -4.690 18511
6291 1 15 . 1 1 52 52 VAL HA H 50 5.185 5.185 4.852 0.333 18511
6292 1 15 . 1 1 52 52 VAL C C 50 173.714 173.714 174.191 -0.477 18511
6293 1 15 . 1 1 52 52 VAL CA C 50 60.314 60.314 60.883 -0.569 18511
6294 1 15 . 1 1 52 52 VAL CB C 50 36.154 36.154 32.841 3.313 18511
6295 1 15 . 1 1 52 52 VAL H H 50 8.687 8.687 8.745 -0.058 18511
6296 1 15 . 1 1 53 53 LEU N N 51 129.580 129.580 129.845 -0.265 18511
6297 1 15 . 1 1 53 53 LEU HA H 51 4.389 4.389 4.562 -0.173 18511
6298 1 15 . 1 1 53 53 LEU C C 51 174.427 174.427 174.314 0.113 18511
6299 1 15 . 1 1 53 53 LEU CA C 51 53.536 53.536 52.678 0.858 18511
6300 1 15 . 1 1 53 53 LEU CB C 51 42.056 42.056 41.897 0.159 18511
6301 1 15 . 1 1 53 53 LEU H H 51 8.380 8.380 8.012 0.368 18511
6302 1 15 . 1 1 54 54 ARG N N 52 125.706 125.706 127.302 -1.596 18511
6303 1 15 . 1 1 54 54 ARG HA H 52 5.255 5.255 4.857 0.398 18511
6304 1 15 . 1 1 54 54 ARG C C 52 174.981 174.981 174.695 0.286 18511
6305 1 15 . 1 1 54 54 ARG CA C 52 53.992 53.992 54.463 -0.471 18511
6306 1 15 . 1 1 54 54 ARG CB C 52 33.497 33.497 32.193 1.304 18511
6307 1 15 . 1 1 54 54 ARG H H 52 8.956 8.956 8.468 0.488 18511
6308 1 15 . 1 1 55 55 VAL N N 53 123.212 123.212 125.929 -2.717 18511
6309 1 15 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.537 0.082 18511
6310 1 15 . 1 1 55 55 VAL C C 53 175.124 175.124 175.160 -0.036 18511
6311 1 15 . 1 1 55 55 VAL CA C 53 61.092 61.092 61.091 0.001 18511
6312 1 15 . 1 1 55 55 VAL CB C 53 34.527 34.527 32.151 2.376 18511
6313 1 15 . 1 1 55 55 VAL H H 53 8.511 8.511 8.286 0.225 18511
6314 1 15 . 1 1 56 56 GLN N N 54 126.653 126.653 128.117 -1.464 18511
6315 1 15 . 1 1 56 56 GLN HA H 54 4.518 4.518 4.145 0.373 18511
6316 1 15 . 1 1 56 56 GLN C C 54 176.296 176.296 176.480 -0.184 18511
6317 1 15 . 1 1 56 56 GLN CA C 54 55.022 55.022 56.170 -1.148 18511
6318 1 15 . 1 1 56 56 GLN CB C 54 29.749 29.749 29.203 0.547 18511
6319 1 15 . 1 1 56 56 GLN H H 54 8.509 8.509 8.174 0.335 18511
6320 1 15 . 1 1 57 57 GLY N N 55 114.559 114.559 109.059 5.500 18511
6321 1 15 . 1 1 57 57 GLY C C 55 174.585 174.585 174.073 0.512 18511
6322 1 15 . 1 1 57 57 GLY CA C 55 47.319 47.319 44.897 2.422 18511
6323 1 15 . 1 1 57 57 GLY H H 55 8.420 8.420 8.851 -0.431 18511
6324 1 15 . 1 1 58 58 ALA N N 56 122.793 122.793 122.590 0.203 18511
6325 1 15 . 1 1 58 58 ALA HA H 56 4.088 4.088 4.300 -0.212 18511
6326 1 15 . 1 1 58 58 ALA C C 56 177.120 177.120 176.063 1.057 18511
6327 1 15 . 1 1 58 58 ALA CA C 56 53.051 53.051 51.925 1.126 18511
6328 1 15 . 1 1 58 58 ALA CB C 56 18.051 18.051 18.294 -0.243 18511
6329 1 15 . 1 1 58 58 ALA H H 56 8.977 8.977 7.714 1.263 18511
6330 1 15 . 1 1 59 59 ARG N N 57 122.118 122.118 126.012 -3.894 18511
6331 1 15 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.606 0.145 18511
6332 1 15 . 1 1 59 59 ARG C C 57 177.231 177.231 176.997 0.234 18511
6333 1 15 . 1 1 59 59 ARG CA C 57 53.236 53.236 56.869 -3.633 18511
6334 1 15 . 1 1 59 59 ARG CB C 57 33.526 33.526 31.746 1.780 18511
6335 1 15 . 1 1 59 59 ARG H H 57 9.709 9.709 7.988 1.721 18511
6336 1 15 . 1 1 61 61 GLY C C 59 174.202 174.202 173.824 0.378 18511
6337 1 15 . 1 1 61 61 GLY CA C 59 45.899 45.899 44.948 0.951 18511
6338 1 15 . 1 1 62 62 ASP N N 60 116.489 116.489 120.391 -3.902 18511
6339 1 15 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.608 0.063 18511
6340 1 15 . 1 1 62 62 ASP C C 60 176.692 176.692 176.121 0.571 18511
6341 1 15 . 1 1 62 62 ASP CA C 60 54.854 54.854 54.437 0.417 18511
6342 1 15 . 1 1 62 62 ASP CB C 60 41.130 41.130 41.860 -0.730 18511
6343 1 15 . 1 1 62 62 ASP H H 60 8.300 8.300 7.406 0.894 18511
6344 1 15 . 1 1 63 63 ALA N N 61 122.793 122.793 123.265 -0.472 18511
6345 1 15 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.561 -0.456 18511
6346 1 15 . 1 1 63 63 ALA C C 61 176.581 176.581 177.020 -0.439 18511
6347 1 15 . 1 1 63 63 ALA CA C 61 52.732 52.732 52.886 -0.154 18511
6348 1 15 . 1 1 63 63 ALA CB C 61 19.806 19.806 18.596 1.210 18511
6349 1 15 . 1 1 63 63 ALA H H 61 7.551 7.551 7.406 0.145 18511
6350 1 15 . 1 1 64 64 GLY N N 62 108.029 108.029 112.386 -4.357 18511
6351 1 15 . 1 1 64 64 GLY C C 62 171.274 171.274 172.415 -1.141 18511
6352 1 15 . 1 1 64 64 GLY CA C 62 44.826 44.826 44.942 -0.116 18511
6353 1 15 . 1 1 64 64 GLY H H 62 8.720 8.720 7.932 0.788 18511
6354 1 15 . 1 1 65 65 GLU N N 63 122.343 122.343 120.939 1.404 18511
6355 1 15 . 1 1 65 65 GLU HA H 63 5.134 5.134 5.403 -0.269 18511
6356 1 15 . 1 1 65 65 GLU C C 63 175.900 175.900 176.531 -0.631 18511
6357 1 15 . 1 1 65 65 GLU CA C 63 55.309 55.309 55.895 -0.587 18511
6358 1 15 . 1 1 65 65 GLU CB C 63 31.183 31.183 29.244 1.939 18511
6359 1 15 . 1 1 65 65 GLU H H 63 9.038 9.038 8.689 0.349 18511
6360 1 15 . 1 1 66 66 TYR N N 64 128.776 128.776 125.015 3.761 18511
6361 1 15 . 1 1 66 66 TYR HA H 64 5.769 5.769 5.398 0.371 18511
6362 1 15 . 1 1 66 66 TYR C C 64 174.157 174.157 175.906 -1.749 18511
6363 1 15 . 1 1 66 66 TYR CA C 64 56.596 56.596 57.687 -1.091 18511
6364 1 15 . 1 1 66 66 TYR CB C 64 40.857 40.857 41.014 -0.157 18511
6365 1 15 . 1 1 66 66 TYR H H 64 9.984 9.984 9.229 0.755 18511
6366 1 15 . 1 1 67 67 LEU N N 65 125.560 125.560 122.679 2.881 18511
6367 1 15 . 1 1 67 67 LEU HA H 65 5.360 5.360 5.228 0.132 18511
6368 1 15 . 1 1 67 67 LEU C C 65 174.617 174.617 175.387 -0.770 18511
6369 1 15 . 1 1 67 67 LEU CA C 65 53.294 53.294 54.632 -1.338 18511
6370 1 15 . 1 1 67 67 LEU CB C 65 46.296 46.296 45.317 0.979 18511
6371 1 15 . 1 1 67 67 LEU H H 65 9.385 9.385 9.046 0.339 18511
6372 1 15 . 1 1 68 68 CYS N N 66 127.135 127.135 128.617 -1.482 18511
6373 1 15 . 1 1 68 68 CYS HA H 66 3.994 3.994 4.081 -0.087 18511
6374 1 15 . 1 1 68 68 CYS C C 66 172.383 172.383 173.823 -1.440 18511
6375 1 15 . 1 1 68 68 CYS CA C 66 57.828 57.828 57.726 0.102 18511
6376 1 15 . 1 1 68 68 CYS CB C 66 26.535 26.535 25.887 0.647 18511
6377 1 15 . 1 1 68 68 CYS H H 66 9.102 9.102 8.803 0.299 18511
6378 1 15 . 1 1 69 69 ASP N N 67 129.420 129.420 129.509 -0.089 18511
6379 1 15 . 1 1 69 69 ASP HA H 67 4.953 4.953 4.750 0.203 18511
6380 1 15 . 1 1 69 69 ASP C C 67 173.128 173.128 174.911 -1.783 18511
6381 1 15 . 1 1 69 69 ASP CA C 67 53.459 53.459 53.305 0.154 18511
6382 1 15 . 1 1 69 69 ASP CB C 67 44.249 44.249 42.417 1.832 18511
6383 1 15 . 1 1 69 69 ASP H H 67 9.296 9.296 8.044 1.252 18511
6384 1 15 . 1 1 70 70 ALA N N 68 129.162 129.162 128.744 0.418 18511
6385 1 15 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.577 0.477 18511
6386 1 15 . 1 1 70 70 ALA C C 68 175.108 175.108 176.502 -1.394 18511
6387 1 15 . 1 1 70 70 ALA CA C 68 49.404 49.404 50.238 -0.834 18511
6388 1 15 . 1 1 70 70 ALA CB C 68 21.402 21.402 18.447 2.955 18511
6389 1 15 . 1 1 70 70 ALA H H 68 8.179 8.179 8.041 0.138 18511
6390 1 15 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.404 -0.239 18511
6391 1 15 . 1 1 71 71 PRO C C 69 177.840 177.840 175.963 1.877 18511
6392 1 15 . 1 1 71 71 PRO CA C 69 65.906 65.906 64.252 1.654 18511
6393 1 15 . 1 1 71 71 PRO CB C 69 31.744 31.744 29.717 2.027 18511
6394 1 15 . 1 1 72 72 GLN N N 70 113.851 113.851 116.986 -3.135 18511
6395 1 15 . 1 1 72 72 GLN HA H 70 4.363 4.363 4.298 0.065 18511
6396 1 15 . 1 1 72 72 GLN C C 70 174.744 174.744 174.919 -0.175 18511
6397 1 15 . 1 1 72 72 GLN CA C 70 55.239 55.239 56.154 -0.915 18511
6398 1 15 . 1 1 72 72 GLN CB C 70 29.355 29.355 30.056 -0.701 18511
6399 1 15 . 1 1 72 72 GLN H H 70 9.053 9.053 7.918 1.135 18511
6400 1 15 . 1 1 73 73 ASP N N 71 118.081 118.081 119.697 -1.616 18511
6401 1 15 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.915 -0.091 18511
6402 1 15 . 1 1 73 73 ASP C C 71 173.017 173.017 174.962 -1.945 18511
6403 1 15 . 1 1 73 73 ASP CA C 71 53.992 53.992 53.703 0.289 18511
6404 1 15 . 1 1 73 73 ASP CB C 71 44.449 44.449 42.008 2.441 18511
6405 1 15 . 1 1 73 73 ASP H H 71 7.336 7.336 8.356 -1.020 18511
6406 1 15 . 1 1 74 74 SER N N 72 114.356 114.356 113.296 1.060 18511
6407 1 15 . 1 1 74 74 SER HA H 72 5.209 5.209 4.901 0.308 18511
6408 1 15 . 1 1 74 74 SER C C 72 174.189 174.189 173.482 0.707 18511
6409 1 15 . 1 1 74 74 SER CA C 72 57.604 57.604 57.769 -0.165 18511
6410 1 15 . 1 1 74 74 SER CB C 72 64.697 64.697 65.991 -1.294 18511
6411 1 15 . 1 1 74 74 SER H H 72 8.161 8.161 8.159 0.002 18511
6412 1 15 . 1 1 75 75 ARG N N 73 122.793 122.793 123.998 -1.205 18511
6413 1 15 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.634 0.062 18511
6414 1 15 . 1 1 75 75 ARG C C 73 173.460 173.460 174.752 -1.292 18511
6415 1 15 . 1 1 75 75 ARG CA C 73 53.404 53.404 54.858 -1.454 18511
6416 1 15 . 1 1 75 75 ARG CB C 73 33.600 33.600 31.732 1.868 18511
6417 1 15 . 1 1 75 75 ARG H H 73 8.592 8.592 8.589 0.003 18511
6418 1 15 . 1 1 76 76 ILE N N 74 122.343 122.343 124.226 -1.883 18511
6419 1 15 . 1 1 76 76 ILE HA H 74 5.154 5.154 4.754 0.400 18511
6420 1 15 . 1 1 76 76 ILE C C 74 175.266 175.266 175.161 0.105 18511
6421 1 15 . 1 1 76 76 ILE CA C 74 59.620 59.620 60.201 -0.581 18511
6422 1 15 . 1 1 76 76 ILE CB C 74 40.889 40.889 39.000 1.889 18511
6423 1 15 . 1 1 76 76 ILE H H 74 8.262 8.262 8.552 -0.290 18511
6424 1 15 . 1 1 77 77 PHE N N 75 126.428 126.428 126.578 -0.150 18511
6425 1 15 . 1 1 77 77 PHE HA H 75 5.524 5.524 5.228 0.296 18511
6426 1 15 . 1 1 77 77 PHE C C 75 174.680 174.680 175.722 -1.042 18511
6427 1 15 . 1 1 77 77 PHE CA C 75 55.570 55.570 56.482 -0.912 18511
6428 1 15 . 1 1 77 77 PHE CB C 75 42.186 42.186 41.131 1.055 18511
6429 1 15 . 1 1 77 77 PHE H H 75 9.932 9.932 9.106 0.826 18511
6430 1 15 . 1 1 78 78 LEU N N 76 126.068 126.068 125.802 0.266 18511
6431 1 15 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.580 0.544 18511
6432 1 15 . 1 1 78 78 LEU C C 76 176.138 176.138 176.276 -0.138 18511
6433 1 15 . 1 1 78 78 LEU CA C 76 53.799 53.799 54.403 -0.604 18511
6434 1 15 . 1 1 78 78 LEU CB C 76 41.851 41.851 41.691 0.160 18511
6435 1 15 . 1 1 78 78 LEU H H 76 9.091 9.091 8.888 0.203 18511
6436 1 15 . 1 1 79 79 VAL N N 77 129.130 129.130 126.824 2.306 18511
6437 1 15 . 1 1 79 79 VAL HA H 77 5.109 5.109 4.714 0.395 18511
6438 1 15 . 1 1 79 79 VAL C C 77 176.597 176.597 175.532 1.065 18511
6439 1 15 . 1 1 79 79 VAL CA C 77 61.384 61.384 62.080 -0.696 18511
6440 1 15 . 1 1 79 79 VAL CB C 77 33.846 33.846 32.013 1.833 18511
6441 1 15 . 1 1 79 79 VAL H H 77 9.408 9.408 8.250 1.158 18511
6442 1 15 . 1 1 80 80 SER N N 78 124.016 124.016 123.949 0.067 18511
6443 1 15 . 1 1 80 80 SER HA H 78 4.908 4.908 4.829 0.079 18511
6444 1 15 . 1 1 80 80 SER C C 78 172.431 172.431 173.841 -1.410 18511
6445 1 15 . 1 1 80 80 SER CA C 78 56.344 56.344 56.997 -0.653 18511
6446 1 15 . 1 1 80 80 SER CB C 78 65.164 65.164 64.297 0.867 18511
6447 1 15 . 1 1 80 80 SER H H 78 9.125 9.125 8.228 0.897 18511
6448 1 15 . 1 1 81 81 VAL N N 79 124.402 124.402 127.358 -2.956 18511
6449 1 15 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.435 0.100 18511
6450 1 15 . 1 1 81 81 VAL C C 79 174.744 174.744 176.288 -1.544 18511
6451 1 15 . 1 1 81 81 VAL CA C 79 61.028 61.028 62.624 -1.596 18511
6452 1 15 . 1 1 81 81 VAL CB C 79 32.741 32.741 30.427 2.314 18511
6453 1 15 . 1 1 81 81 VAL H H 79 8.638 8.638 8.880 -0.242 18511
6454 1 15 . 1 1 82 82 GLU N N 80 124.145 124.145 128.356 -4.211 18511
6455 1 15 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.699 -0.138 18511
6456 1 15 . 1 1 82 82 GLU C C 80 174.839 174.839 174.969 -0.130 18511
6457 1 15 . 1 1 82 82 GLU CA C 80 54.664 54.664 54.829 -0.165 18511
6458 1 15 . 1 1 82 82 GLU CB C 80 32.237 32.237 31.871 0.366 18511
6459 1 15 . 1 1 82 82 GLU H H 80 8.281 8.281 8.969 -0.688 18511
6460 1 15 . 1 1 83 83 GLU N N 81 123.244 123.244 117.442 5.802 18511
6461 1 15 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.183 0.256 18511
6462 1 15 . 1 1 83 83 GLU C C 81 173.841 173.841 174.558 -0.717 18511
6463 1 15 . 1 1 83 83 GLU CA C 81 54.611 54.611 56.228 -1.617 18511
6464 1 15 . 1 1 83 83 GLU CB C 81 29.046 29.046 27.818 1.228 18511
6465 1 15 . 1 1 83 83 GLU H H 81 8.656 8.656 8.569 0.087 18511
6466 1 16 . 1 1 4 4 THR N N 2 121.282 121.282 118.412 2.870 18511
6467 1 16 . 1 1 4 4 THR HA H 2 4.463 4.463 4.075 0.388 18511
6468 1 16 . 1 1 4 4 THR C C 2 173.255 173.255 174.100 -0.845 18511
6469 1 16 . 1 1 4 4 THR CA C 2 62.056 62.056 62.182 -0.126 18511
6470 1 16 . 1 1 4 4 THR CB C 2 70.955 70.955 68.153 2.802 18511
6471 1 16 . 1 1 4 4 THR H H 2 8.319 8.319 8.306 0.013 18511
6472 1 16 . 1 1 5 5 ARG N N 3 127.535 127.535 127.362 0.173 18511
6473 1 16 . 1 1 5 5 ARG HA H 3 5.083 5.083 4.788 0.295 18511
6474 1 16 . 1 1 5 5 ARG C C 3 175.694 175.694 175.034 0.660 18511
6475 1 16 . 1 1 5 5 ARG CA C 3 55.236 55.236 54.783 0.453 18511
6476 1 16 . 1 1 5 5 ARG CB C 3 30.776 30.776 31.758 -0.982 18511
6477 1 16 . 1 1 5 5 ARG H H 3 8.958 8.958 8.416 0.542 18511
6478 1 16 . 1 1 6 6 VAL N N 4 125.495 125.495 125.783 -0.288 18511
6479 1 16 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.432 -0.100 18511
6480 1 16 . 1 1 6 6 VAL C C 4 173.365 173.365 174.303 -0.938 18511
6481 1 16 . 1 1 6 6 VAL CA C 4 61.473 61.473 60.919 0.554 18511
6482 1 16 . 1 1 6 6 VAL CB C 4 35.854 35.854 35.216 0.638 18511
6483 1 16 . 1 1 6 6 VAL H H 4 8.812 8.812 8.390 0.422 18511
6484 1 16 . 1 1 7 7 ARG N N 5 127.554 127.554 126.497 1.057 18511
6485 1 16 . 1 1 7 7 ARG HA H 5 5.175 5.175 4.979 0.196 18511
6486 1 16 . 1 1 7 7 ARG C C 5 175.694 175.694 175.259 0.435 18511
6487 1 16 . 1 1 7 7 ARG CA C 5 54.373 54.373 55.226 -0.853 18511
6488 1 16 . 1 1 7 7 ARG CB C 5 31.679 31.679 32.971 -1.292 18511
6489 1 16 . 1 1 7 7 ARG H H 5 8.712 8.712 8.667 0.045 18511
6490 1 16 . 1 1 8 8 SER N N 6 120.281 120.281 121.289 -1.008 18511
6491 1 16 . 1 1 8 8 SER HA H 6 4.762 4.762 4.850 -0.088 18511
6492 1 16 . 1 1 8 8 SER C C 6 173.555 173.555 173.285 0.270 18511
6493 1 16 . 1 1 8 8 SER CA C 6 56.428 56.428 56.972 -0.544 18511
6494 1 16 . 1 1 8 8 SER CB C 6 65.450 65.450 67.347 -1.897 18511
6495 1 16 . 1 1 8 8 SER H H 6 8.669 8.669 8.386 0.283 18511
6496 1 16 . 1 1 9 9 THR N N 7 117.885 117.885 114.336 3.549 18511
6497 1 16 . 1 1 9 9 THR HA H 7 4.847 4.847 5.292 -0.445 18511
6498 1 16 . 1 1 9 9 THR C C 7 172.748 172.748 173.549 -0.801 18511
6499 1 16 . 1 1 9 9 THR CA C 7 59.436 59.436 58.565 0.871 18511
6500 1 16 . 1 1 9 9 THR CB C 7 69.938 69.938 69.649 0.289 18511
6501 1 16 . 1 1 9 9 THR H H 7 8.362 8.362 8.550 -0.188 18511
6502 1 16 . 1 1 10 10 PRO HA H 8 4.060 4.060 4.399 -0.339 18511
6503 1 16 . 1 1 10 10 PRO C C 8 177.966 177.966 177.517 0.449 18511
6504 1 16 . 1 1 10 10 PRO CA C 8 63.484 63.484 63.022 0.462 18511
6505 1 16 . 1 1 10 10 PRO CB C 8 30.986 30.986 31.188 -0.202 18511
6506 1 16 . 1 1 11 11 GLY N N 9 114.800 114.800 114.439 0.361 18511
6507 1 16 . 1 1 11 11 GLY C C 9 174.870 174.870 174.557 0.313 18511
6508 1 16 . 1 1 11 11 GLY CA C 9 45.147 45.147 44.940 0.207 18511
6509 1 16 . 1 1 11 11 GLY H H 9 9.824 9.824 8.592 1.232 18511
6510 1 16 . 1 1 12 12 GLY N N 10 109.721 109.721 110.372 -0.651 18511
6511 1 16 . 1 1 12 12 GLY C C 10 171.924 171.924 172.310 -0.386 18511
6512 1 16 . 1 1 12 12 GLY CA C 10 43.913 43.913 44.142 -0.229 18511
6513 1 16 . 1 1 12 12 GLY H H 10 8.172 8.172 7.764 0.408 18511
6514 1 16 . 1 1 13 13 ASP N N 11 119.275 119.275 118.614 0.661 18511
6515 1 16 . 1 1 13 13 ASP HA H 11 5.316 5.316 4.864 0.452 18511
6516 1 16 . 1 1 13 13 ASP C C 11 176.185 176.185 174.464 1.721 18511
6517 1 16 . 1 1 13 13 ASP CA C 11 53.404 53.404 52.825 0.579 18511
6518 1 16 . 1 1 13 13 ASP CB C 11 41.309 41.309 44.019 -2.710 18511
6519 1 16 . 1 1 13 13 ASP H H 11 8.442 8.442 8.059 0.383 18511
6520 1 16 . 1 1 14 14 LEU N N 12 125.431 125.431 120.496 4.935 18511
6521 1 16 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.613 -0.187 18511
6522 1 16 . 1 1 14 14 LEU C C 12 174.934 174.934 175.339 -0.405 18511
6523 1 16 . 1 1 14 14 LEU CA C 12 53.697 53.697 53.841 -0.144 18511
6524 1 16 . 1 1 14 14 LEU CB C 12 44.170 44.170 45.052 -0.882 18511
6525 1 16 . 1 1 14 14 LEU H H 12 8.889 8.889 8.327 0.562 18511
6526 1 16 . 1 1 15 15 GLU N N 13 126.203 126.203 125.578 0.625 18511
6527 1 16 . 1 1 15 15 GLU HA H 13 4.901 4.901 4.782 0.119 18511
6528 1 16 . 1 1 15 15 GLU C C 13 173.555 173.555 174.963 -1.408 18511
6529 1 16 . 1 1 15 15 GLU CA C 13 55.168 55.168 55.327 -0.159 18511
6530 1 16 . 1 1 15 15 GLU CB C 13 32.489 32.489 32.111 0.378 18511
6531 1 16 . 1 1 15 15 GLU H H 13 8.469 8.469 8.424 0.045 18511
6532 1 16 . 1 1 16 16 LEU N N 14 127.480 127.480 129.573 -2.093 18511
6533 1 16 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.670 -0.448 18511
6534 1 16 . 1 1 16 16 LEU C C 14 174.221 174.221 175.434 -1.213 18511
6535 1 16 . 1 1 16 16 LEU CA C 14 52.900 52.900 53.837 -0.937 18511
6536 1 16 . 1 1 16 16 LEU CB C 14 40.861 40.861 42.514 -1.653 18511
6537 1 16 . 1 1 16 16 LEU H H 14 9.082 9.082 8.619 0.463 18511
6538 1 16 . 1 1 17 17 VAL N N 15 122.038 122.038 125.845 -3.807 18511
6539 1 16 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.636 0.125 18511
6540 1 16 . 1 1 17 17 VAL C C 15 175.330 175.330 175.930 -0.600 18511
6541 1 16 . 1 1 17 17 VAL CA C 15 61.468 61.468 61.337 0.130 18511
6542 1 16 . 1 1 17 17 VAL CB C 15 33.749 33.749 32.598 1.151 18511
6543 1 16 . 1 1 17 17 VAL H H 15 8.105 8.105 8.465 -0.360 18511
6544 1 16 . 1 1 18 18 VAL N N 16 127.741 127.741 126.569 1.172 18511
6545 1 16 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.566 -0.281 18511
6546 1 16 . 1 1 18 18 VAL C C 16 173.555 173.555 175.667 -2.112 18511
6547 1 16 . 1 1 18 18 VAL CA C 16 61.020 61.020 61.265 -0.245 18511
6548 1 16 . 1 1 18 18 VAL CB C 16 35.604 35.604 33.526 2.078 18511
6549 1 16 . 1 1 18 18 VAL H H 16 9.335 9.335 8.332 1.003 18511
6550 1 16 . 1 1 19 19 HIS N N 17 126.695 126.695 121.640 5.055 18511
6551 1 16 . 1 1 19 19 HIS HA H 17 5.023 5.023 4.851 0.172 18511
6552 1 16 . 1 1 19 19 HIS C C 17 175.710 175.710 174.968 0.742 18511
6553 1 16 . 1 1 19 19 HIS CA C 17 55.225 55.225 54.664 0.561 18511
6554 1 16 . 1 1 19 19 HIS CB C 17 30.418 30.418 29.811 0.608 18511
6555 1 16 . 1 1 19 19 HIS H H 17 8.710 8.710 8.716 -0.006 18511
6556 1 16 . 1 1 20 20 LEU N N 18 124.981 124.981 119.616 5.365 18511
6557 1 16 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.282 0.029 18511
6558 1 16 . 1 1 20 20 LEU C C 18 177.357 177.357 177.373 -0.016 18511
6559 1 16 . 1 1 20 20 LEU CA C 18 54.162 54.162 55.119 -0.957 18511
6560 1 16 . 1 1 20 20 LEU CB C 18 43.005 43.005 42.085 0.920 18511
6561 1 16 . 1 1 20 20 LEU H H 18 8.941 8.941 7.791 1.150 18511
6562 1 16 . 1 1 21 21 SER N N 19 116.428 116.428 116.663 -0.235 18511
6563 1 16 . 1 1 21 21 SER HA H 19 4.280 4.280 4.521 -0.241 18511
6564 1 16 . 1 1 21 21 SER C C 19 174.348 174.348 174.556 -0.208 18511
6565 1 16 . 1 1 21 21 SER CA C 19 59.696 59.696 58.662 1.034 18511
6566 1 16 . 1 1 21 21 SER CB C 19 63.364 63.364 63.286 0.078 18511
6567 1 16 . 1 1 21 21 SER H H 19 9.513 9.513 8.609 0.904 18511
6568 1 16 . 1 1 22 22 GLY N N 20 107.975 107.975 110.911 -2.936 18511
6569 1 16 . 1 1 22 22 GLY C C 20 171.306 171.306 172.277 -0.971 18511
6570 1 16 . 1 1 22 22 GLY CA C 20 44.193 44.193 43.510 0.683 18511
6571 1 16 . 1 1 22 22 GLY H H 20 7.532 7.532 7.928 -0.396 18511
6572 1 16 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.366 -0.003 18511
6573 1 16 . 1 1 23 23 PRO C C 21 177.141 177.141 176.842 0.299 18511
6574 1 16 . 1 1 23 23 PRO CA C 21 63.096 63.096 63.192 -0.096 18511
6575 1 16 . 1 1 23 23 PRO CB C 21 32.105 32.105 31.443 0.662 18511
6576 1 16 . 1 1 24 24 GLY N N 22 107.827 107.827 113.730 -5.903 18511
6577 1 16 . 1 1 24 24 GLY C C 22 173.270 173.270 173.503 -0.233 18511
6578 1 16 . 1 1 24 24 GLY CA C 22 45.013 45.013 44.350 0.663 18511
6579 1 16 . 1 1 24 24 GLY H H 22 8.264 8.264 8.041 0.223 18511
6580 1 16 . 1 1 25 25 GLY N N 23 108.700 108.700 106.328 2.372 18511
6581 1 16 . 1 1 25 25 GLY C C 23 170.292 170.292 172.556 -2.264 18511
6582 1 16 . 1 1 25 25 GLY CA C 23 43.573 43.573 43.775 -0.202 18511
6583 1 16 . 1 1 25 25 GLY H H 23 7.797 7.797 7.927 -0.130 18511
6584 1 16 . 1 1 26 26 PRO HA H 24 4.574 4.574 4.562 0.012 18511
6585 1 16 . 1 1 26 26 PRO C C 24 175.331 175.331 175.251 0.080 18511
6586 1 16 . 1 1 26 26 PRO CA C 24 62.105 62.105 62.535 -0.430 18511
6587 1 16 . 1 1 26 26 PRO CB C 24 34.842 34.842 33.493 1.349 18511
6588 1 16 . 1 1 27 27 VAL N N 25 121.565 121.565 123.660 -2.095 18511
6589 1 16 . 1 1 27 27 VAL HA H 25 4.662 4.662 4.229 0.433 18511
6590 1 16 . 1 1 27 27 VAL C C 25 175.742 175.742 176.060 -0.318 18511
6591 1 16 . 1 1 27 27 VAL CA C 25 61.384 61.384 62.168 -0.784 18511
6592 1 16 . 1 1 27 27 VAL CB C 25 32.971 32.971 31.542 1.429 18511
6593 1 16 . 1 1 27 27 VAL H H 25 8.579 8.579 8.288 0.291 18511
6594 1 16 . 1 1 28 28 ARG N N 26 127.876 127.876 127.950 -0.074 18511
6595 1 16 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.470 0.112 18511
6596 1 16 . 1 1 28 28 ARG C C 26 173.144 173.144 175.122 -1.978 18511
6597 1 16 . 1 1 28 28 ARG CA C 26 54.861 54.861 54.615 0.246 18511
6598 1 16 . 1 1 28 28 ARG CB C 26 34.589 34.589 32.164 2.425 18511
6599 1 16 . 1 1 28 28 ARG H H 26 8.856 8.856 8.270 0.586 18511
6600 1 16 . 1 1 29 29 TRP N N 27 121.571 121.571 123.966 -2.395 18511
6601 1 16 . 1 1 29 29 TRP HA H 27 5.986 5.986 5.002 0.984 18511
6602 1 16 . 1 1 29 29 TRP C C 27 175.932 175.932 175.715 0.217 18511
6603 1 16 . 1 1 29 29 TRP CA C 27 55.504 55.504 56.191 -0.688 18511
6604 1 16 . 1 1 29 29 TRP CB C 27 32.584 32.584 30.789 1.795 18511
6605 1 16 . 1 1 29 29 TRP H H 27 8.858 8.858 8.618 0.240 18511
6606 1 16 . 1 1 30 30 TYR N N 28 118.451 118.451 123.794 -5.343 18511
6607 1 16 . 1 1 30 30 TYR HA H 28 5.332 5.332 4.856 0.476 18511
6608 1 16 . 1 1 30 30 TYR C C 28 175.108 175.108 174.485 0.623 18511
6609 1 16 . 1 1 30 30 TYR CA C 28 55.924 55.924 57.009 -1.085 18511
6610 1 16 . 1 1 30 30 TYR CB C 28 43.194 43.194 41.259 1.935 18511
6611 1 16 . 1 1 30 30 TYR H H 28 9.605 9.605 8.815 0.790 18511
6612 1 16 . 1 1 31 31 LYS N N 29 120.638 120.638 122.592 -1.954 18511
6613 1 16 . 1 1 31 31 LYS HA H 29 4.790 4.790 4.970 -0.180 18511
6614 1 16 . 1 1 31 31 LYS C C 29 176.565 176.565 176.786 -0.221 18511
6615 1 16 . 1 1 31 31 LYS CA C 29 54.496 54.496 53.627 0.869 18511
6616 1 16 . 1 1 31 31 LYS CB C 29 35.345 35.345 34.596 0.749 18511
6617 1 16 . 1 1 31 31 LYS H H 29 9.055 9.055 8.786 0.269 18511
6618 1 16 . 1 1 32 32 ASP N N 30 131.009 131.009 126.586 4.423 18511
6619 1 16 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.266 0.180 18511
6620 1 16 . 1 1 32 32 ASP C C 30 176.344 176.344 175.893 0.451 18511
6621 1 16 . 1 1 32 32 ASP CA C 30 55.846 55.846 55.882 -0.036 18511
6622 1 16 . 1 1 32 32 ASP CB C 30 40.289 40.289 40.040 0.249 18511
6623 1 16 . 1 1 32 32 ASP H H 30 10.006 10.006 8.683 1.323 18511
6624 1 16 . 1 1 33 33 GLY N N 31 102.658 102.658 104.204 -1.546 18511
6625 1 16 . 1 1 33 33 GLY C C 31 173.809 173.809 173.536 0.273 18511
6626 1 16 . 1 1 33 33 GLY CA C 31 45.127 45.127 45.153 -0.026 18511
6627 1 16 . 1 1 33 33 GLY H H 31 8.903 8.903 8.562 0.341 18511
6628 1 16 . 1 1 34 34 GLU N N 32 121.796 121.796 121.408 0.388 18511
6629 1 16 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.911 -0.169 18511
6630 1 16 . 1 1 34 34 GLU C C 32 175.789 175.789 175.429 0.360 18511
6631 1 16 . 1 1 34 34 GLU CA C 32 54.496 54.496 54.829 -0.333 18511
6632 1 16 . 1 1 34 34 GLU CB C 32 31.161 31.161 32.178 -1.017 18511
6633 1 16 . 1 1 34 34 GLU H H 32 8.152 8.152 8.095 0.057 18511
6634 1 16 . 1 1 35 35 ARG N N 33 126.589 126.589 122.566 4.023 18511
6635 1 16 . 1 1 35 35 ARG HA H 33 3.927 3.927 4.661 -0.734 18511
6636 1 16 . 1 1 35 35 ARG C C 33 176.296 176.296 175.410 0.886 18511
6637 1 16 . 1 1 35 35 ARG CA C 33 56.344 56.344 55.743 0.601 18511
6638 1 16 . 1 1 35 35 ARG CB C 33 29.803 29.803 30.570 -0.767 18511
6639 1 16 . 1 1 35 35 ARG H H 33 8.928 8.928 8.743 0.185 18511
6640 1 16 . 1 1 36 36 LEU N N 34 127.490 127.490 122.043 5.447 18511
6641 1 16 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.591 0.006 18511
6642 1 16 . 1 1 36 36 LEU C C 34 175.361 175.361 175.677 -0.316 18511
6643 1 16 . 1 1 36 36 LEU CA C 34 53.656 53.656 53.997 -0.341 18511
6644 1 16 . 1 1 36 36 LEU CB C 34 44.501 44.501 43.210 1.291 18511
6645 1 16 . 1 1 36 36 LEU H H 34 8.668 8.668 8.179 0.489 18511
6646 1 16 . 1 1 37 37 ALA N N 35 124.016 124.016 122.712 1.304 18511
6647 1 16 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.740 -0.191 18511
6648 1 16 . 1 1 37 37 ALA C C 35 175.757 175.757 176.373 -0.616 18511
6649 1 16 . 1 1 37 37 ALA CA C 35 50.039 50.039 50.427 -0.388 18511
6650 1 16 . 1 1 37 37 ALA CB C 35 21.822 21.822 21.544 0.278 18511
6651 1 16 . 1 1 37 37 ALA H H 35 8.177 8.177 8.513 -0.336 18511
6652 1 16 . 1 1 38 38 SER N N 36 114.574 114.574 115.298 -0.724 18511
6653 1 16 . 1 1 38 38 SER HA H 36 4.440 4.440 4.688 -0.248 18511
6654 1 16 . 1 1 38 38 SER C C 36 174.005 174.005 174.533 -0.528 18511
6655 1 16 . 1 1 38 38 SER CA C 36 57.610 57.610 58.286 -0.676 18511
6656 1 16 . 1 1 38 38 SER CB C 36 62.056 62.056 62.182 -0.126 18511
6657 1 16 . 1 1 38 38 SER H H 36 8.444 8.444 8.577 -0.133 18511
6658 1 16 . 1 1 39 39 GLN N N 37 126.057 126.057 125.049 1.008 18511
6659 1 16 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.513 -0.061 18511
6660 1 16 . 1 1 39 39 GLN C C 37 175.599 175.599 176.991 -1.392 18511
6661 1 16 . 1 1 39 39 GLN CA C 37 55.433 55.433 53.965 1.468 18511
6662 1 16 . 1 1 39 39 GLN CB C 37 29.970 29.970 30.291 -0.321 18511
6663 1 16 . 1 1 39 39 GLN H H 37 8.477 8.477 8.001 0.476 18511
6664 1 16 . 1 1 41 41 ARG HA H 39 4.228 4.228 4.371 -0.143 18511
6665 1 16 . 1 1 41 41 ARG C C 39 174.776 174.776 174.989 -0.213 18511
6666 1 16 . 1 1 41 41 ARG CA C 39 57.143 57.143 56.375 0.768 18511
6667 1 16 . 1 1 41 41 ARG CB C 39 30.504 30.504 31.086 -0.582 18511
6668 1 16 . 1 1 42 42 VAL N N 40 119.931 119.931 120.063 -0.132 18511
6669 1 16 . 1 1 42 42 VAL HA H 40 4.602 4.602 4.594 0.008 18511
6670 1 16 . 1 1 42 42 VAL C C 40 174.854 174.854 174.421 0.433 18511
6671 1 16 . 1 1 42 42 VAL CA C 40 61.663 61.663 61.141 0.522 18511
6672 1 16 . 1 1 42 42 VAL CB C 40 32.800 32.800 32.045 0.755 18511
6673 1 16 . 1 1 42 42 VAL H H 40 7.662 7.662 7.634 0.028 18511
6674 1 16 . 1 1 43 43 GLN N N 41 125.689 125.689 124.644 1.045 18511
6675 1 16 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.495 0.036 18511
6676 1 16 . 1 1 43 43 GLN C C 41 173.952 173.952 174.544 -0.592 18511
6677 1 16 . 1 1 43 43 GLN CA C 41 53.656 53.656 55.194 -1.538 18511
6678 1 16 . 1 1 43 43 GLN CB C 41 31.817 31.817 29.982 1.835 18511
6679 1 16 . 1 1 43 43 GLN H H 41 8.937 8.937 8.301 0.636 18511
6680 1 16 . 1 1 44 44 LEU N N 42 123.562 123.562 127.255 -3.693 18511
6681 1 16 . 1 1 44 44 LEU HA H 42 4.984 4.984 5.133 -0.149 18511
6682 1 16 . 1 1 44 44 LEU C C 42 176.565 176.565 176.611 -0.046 18511
6683 1 16 . 1 1 44 44 LEU CA C 42 52.931 52.931 53.219 -0.289 18511
6684 1 16 . 1 1 44 44 LEU CB C 42 42.474 42.474 42.969 -0.495 18511
6685 1 16 . 1 1 44 44 LEU H H 42 8.231 8.231 8.587 -0.356 18511
6686 1 16 . 1 1 45 45 GLU N N 43 124.016 124.016 125.494 -1.478 18511
6687 1 16 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.359 0.297 18511
6688 1 16 . 1 1 45 45 GLU C C 43 175.346 175.346 175.127 0.219 18511
6689 1 16 . 1 1 45 45 GLU CA C 43 54.723 54.723 55.664 -0.941 18511
6690 1 16 . 1 1 45 45 GLU CB C 43 32.841 32.841 29.112 3.729 18511
6691 1 16 . 1 1 45 45 GLU H H 43 9.309 9.309 8.256 1.053 18511
6692 1 16 . 1 1 46 46 GLN N N 44 125.220 125.220 122.792 2.428 18511
6693 1 16 . 1 1 46 46 GLN HA H 44 4.928 4.928 4.782 0.146 18511
6694 1 16 . 1 1 46 46 GLN C C 44 174.332 174.332 174.457 -0.125 18511
6695 1 16 . 1 1 46 46 GLN CA C 44 54.832 54.832 54.853 -0.021 18511
6696 1 16 . 1 1 46 46 GLN CB C 44 30.726 30.726 29.815 0.911 18511
6697 1 16 . 1 1 46 46 GLN H H 44 8.825 8.825 8.486 0.339 18511
6698 1 16 . 1 1 47 47 ALA N N 45 129.999 129.999 128.612 1.387 18511
6699 1 16 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.680 -0.008 18511
6700 1 16 . 1 1 47 47 ALA C C 45 177.056 177.056 176.525 0.531 18511
6701 1 16 . 1 1 47 47 ALA CA C 45 50.716 50.716 50.984 -0.268 18511
6702 1 16 . 1 1 47 47 ALA CB C 45 18.798 18.798 20.945 -2.147 18511
6703 1 16 . 1 1 47 47 ALA H H 45 8.636 8.636 8.714 -0.078 18511
6704 1 16 . 1 1 48 48 GLY CA C 46 46.885 46.885 44.989 1.896 18511
6705 1 16 . 1 1 49 49 ALA HA H 47 4.183 4.183 3.805 0.378 18511
6706 1 16 . 1 1 49 49 ALA C C 47 176.586 176.586 176.905 -0.319 18511
6707 1 16 . 1 1 49 49 ALA CA C 47 53.068 53.068 53.489 -0.421 18511
6708 1 16 . 1 1 49 49 ALA CB C 47 18.714 18.714 17.522 1.192 18511
6709 1 16 . 1 1 50 50 ARG N N 48 119.282 119.282 124.646 -5.364 18511
6710 1 16 . 1 1 50 50 ARG HA H 48 4.635 4.635 4.408 0.227 18511
6711 1 16 . 1 1 50 50 ARG C C 48 174.348 174.348 175.160 -0.812 18511
6712 1 16 . 1 1 50 50 ARG CA C 48 55.672 55.672 55.796 -0.124 18511
6713 1 16 . 1 1 50 50 ARG CB C 48 31.413 31.413 30.095 1.318 18511
6714 1 16 . 1 1 50 50 ARG H H 48 7.725 7.725 7.773 -0.048 18511
6715 1 16 . 1 1 51 51 GLN N N 49 125.499 125.499 125.564 -0.065 18511
6716 1 16 . 1 1 51 51 GLN HA H 49 4.961 4.961 4.886 0.075 18511
6717 1 16 . 1 1 51 51 GLN C C 49 174.427 174.427 174.889 -0.462 18511
6718 1 16 . 1 1 51 51 GLN CA C 49 53.404 53.404 54.061 -0.657 18511
6719 1 16 . 1 1 51 51 GLN CB C 49 30.133 30.133 31.396 -1.263 18511
6720 1 16 . 1 1 51 51 GLN H H 49 9.086 9.086 8.122 0.964 18511
6721 1 16 . 1 1 52 52 VAL N N 50 121.957 121.957 125.650 -3.693 18511
6722 1 16 . 1 1 52 52 VAL HA H 50 5.185 5.185 4.897 0.288 18511
6723 1 16 . 1 1 52 52 VAL C C 50 173.714 173.714 173.906 -0.192 18511
6724 1 16 . 1 1 52 52 VAL CA C 50 60.314 60.314 60.811 -0.497 18511
6725 1 16 . 1 1 52 52 VAL CB C 50 36.154 36.154 33.295 2.859 18511
6726 1 16 . 1 1 52 52 VAL H H 50 8.687 8.687 8.754 -0.067 18511
6727 1 16 . 1 1 53 53 LEU N N 51 129.580 129.580 129.336 0.244 18511
6728 1 16 . 1 1 53 53 LEU HA H 51 4.389 4.389 4.583 -0.194 18511
6729 1 16 . 1 1 53 53 LEU C C 51 174.427 174.427 174.357 0.070 18511
6730 1 16 . 1 1 53 53 LEU CA C 51 53.536 53.536 52.590 0.946 18511
6731 1 16 . 1 1 53 53 LEU CB C 51 42.056 42.056 42.614 -0.558 18511
6732 1 16 . 1 1 53 53 LEU H H 51 8.380 8.380 8.018 0.362 18511
6733 1 16 . 1 1 54 54 ARG N N 52 125.706 125.706 127.295 -1.589 18511
6734 1 16 . 1 1 54 54 ARG HA H 52 5.255 5.255 4.872 0.383 18511
6735 1 16 . 1 1 54 54 ARG C C 52 174.981 174.981 174.788 0.193 18511
6736 1 16 . 1 1 54 54 ARG CA C 52 53.992 53.992 54.106 -0.114 18511
6737 1 16 . 1 1 54 54 ARG CB C 52 33.497 33.497 32.045 1.452 18511
6738 1 16 . 1 1 54 54 ARG H H 52 8.956 8.956 8.488 0.468 18511
6739 1 16 . 1 1 55 55 VAL N N 53 123.212 123.212 125.653 -2.441 18511
6740 1 16 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.546 0.073 18511
6741 1 16 . 1 1 55 55 VAL C C 53 175.124 175.124 175.339 -0.215 18511
6742 1 16 . 1 1 55 55 VAL CA C 53 61.092 61.092 61.570 -0.478 18511
6743 1 16 . 1 1 55 55 VAL CB C 53 34.527 34.527 32.193 2.334 18511
6744 1 16 . 1 1 55 55 VAL H H 53 8.511 8.511 8.089 0.422 18511
6745 1 16 . 1 1 56 56 GLN N N 54 126.653 126.653 129.297 -2.644 18511
6746 1 16 . 1 1 56 56 GLN HA H 54 4.518 4.518 4.330 0.188 18511
6747 1 16 . 1 1 56 56 GLN C C 54 176.296 176.296 176.404 -0.108 18511
6748 1 16 . 1 1 56 56 GLN CA C 54 55.022 55.022 56.222 -1.200 18511
6749 1 16 . 1 1 56 56 GLN CB C 54 29.749 29.749 29.291 0.459 18511
6750 1 16 . 1 1 56 56 GLN H H 54 8.509 8.509 8.383 0.126 18511
6751 1 16 . 1 1 57 57 GLY N N 55 114.559 114.559 113.885 0.674 18511
6752 1 16 . 1 1 57 57 GLY C C 55 174.585 174.585 173.673 0.912 18511
6753 1 16 . 1 1 57 57 GLY CA C 55 47.319 47.319 45.074 2.245 18511
6754 1 16 . 1 1 57 57 GLY H H 55 8.420 8.420 8.350 0.070 18511
6755 1 16 . 1 1 58 58 ALA N N 56 122.793 122.793 121.425 1.368 18511
6756 1 16 . 1 1 58 58 ALA HA H 56 4.088 4.088 4.273 -0.185 18511
6757 1 16 . 1 1 58 58 ALA C C 56 177.120 177.120 175.988 1.132 18511
6758 1 16 . 1 1 58 58 ALA CA C 56 53.051 53.051 52.769 0.282 18511
6759 1 16 . 1 1 58 58 ALA CB C 56 18.051 18.051 19.017 -0.966 18511
6760 1 16 . 1 1 58 58 ALA H H 56 8.977 8.977 7.718 1.259 18511
6761 1 16 . 1 1 59 59 ARG N N 57 122.118 122.118 125.709 -3.591 18511
6762 1 16 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.645 0.106 18511
6763 1 16 . 1 1 59 59 ARG C C 57 177.231 177.231 176.065 1.166 18511
6764 1 16 . 1 1 59 59 ARG CA C 57 53.236 53.236 57.279 -4.043 18511
6765 1 16 . 1 1 59 59 ARG CB C 57 33.526 33.526 31.720 1.806 18511
6766 1 16 . 1 1 59 59 ARG H H 57 9.709 9.709 9.128 0.581 18511
6767 1 16 . 1 1 61 61 GLY C C 59 174.202 174.202 174.822 -0.620 18511
6768 1 16 . 1 1 61 61 GLY CA C 59 45.899 45.899 45.242 0.657 18511
6769 1 16 . 1 1 62 62 ASP N N 60 116.489 116.489 120.073 -3.584 18511
6770 1 16 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.619 0.052 18511
6771 1 16 . 1 1 62 62 ASP C C 60 176.692 176.692 175.263 1.429 18511
6772 1 16 . 1 1 62 62 ASP CA C 60 54.854 54.854 54.969 -0.115 18511
6773 1 16 . 1 1 62 62 ASP CB C 60 41.130 41.130 40.691 0.439 18511
6774 1 16 . 1 1 62 62 ASP H H 60 8.300 8.300 8.106 0.194 18511
6775 1 16 . 1 1 63 63 ALA N N 61 122.793 122.793 122.055 0.738 18511
6776 1 16 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.660 -0.555 18511
6777 1 16 . 1 1 63 63 ALA C C 61 176.581 176.581 176.673 -0.092 18511
6778 1 16 . 1 1 63 63 ALA CA C 61 52.732 52.732 52.124 0.608 18511
6779 1 16 . 1 1 63 63 ALA CB C 61 19.806 19.806 19.794 0.012 18511
6780 1 16 . 1 1 63 63 ALA H H 61 7.551 7.551 7.167 0.384 18511
6781 1 16 . 1 1 64 64 GLY N N 62 108.029 108.029 111.865 -3.836 18511
6782 1 16 . 1 1 64 64 GLY C C 62 171.274 171.274 172.474 -1.200 18511
6783 1 16 . 1 1 64 64 GLY CA C 62 44.826 44.826 45.437 -0.611 18511
6784 1 16 . 1 1 64 64 GLY H H 62 8.720 8.720 8.626 0.094 18511
6785 1 16 . 1 1 65 65 GLU N N 63 122.343 122.343 120.829 1.514 18511
6786 1 16 . 1 1 65 65 GLU HA H 63 5.134 5.134 5.133 0.001 18511
6787 1 16 . 1 1 65 65 GLU C C 63 175.900 175.900 175.716 0.184 18511
6788 1 16 . 1 1 65 65 GLU CA C 63 55.309 55.309 55.598 -0.289 18511
6789 1 16 . 1 1 65 65 GLU CB C 63 31.183 31.183 30.870 0.313 18511
6790 1 16 . 1 1 65 65 GLU H H 63 9.038 9.038 8.702 0.336 18511
6791 1 16 . 1 1 66 66 TYR N N 64 128.776 128.776 123.687 5.089 18511
6792 1 16 . 1 1 66 66 TYR HA H 64 5.769 5.769 5.633 0.136 18511
6793 1 16 . 1 1 66 66 TYR C C 64 174.157 174.157 175.929 -1.772 18511
6794 1 16 . 1 1 66 66 TYR CA C 64 56.596 56.596 56.769 -0.173 18511
6795 1 16 . 1 1 66 66 TYR CB C 64 40.857 40.857 40.075 0.782 18511
6796 1 16 . 1 1 66 66 TYR H H 64 9.984 9.984 9.057 0.927 18511
6797 1 16 . 1 1 67 67 LEU N N 65 125.560 125.560 127.019 -1.459 18511
6798 1 16 . 1 1 67 67 LEU HA H 65 5.360 5.360 5.064 0.295 18511
6799 1 16 . 1 1 67 67 LEU C C 65 174.617 174.617 175.922 -1.305 18511
6800 1 16 . 1 1 67 67 LEU CA C 65 53.294 53.294 53.814 -0.520 18511
6801 1 16 . 1 1 67 67 LEU CB C 65 46.296 46.296 43.034 3.262 18511
6802 1 16 . 1 1 67 67 LEU H H 65 9.385 9.385 9.129 0.256 18511
6803 1 16 . 1 1 68 68 CYS N N 66 127.135 127.135 129.328 -2.193 18511
6804 1 16 . 1 1 68 68 CYS HA H 66 3.994 3.994 4.020 -0.026 18511
6805 1 16 . 1 1 68 68 CYS C C 66 172.383 172.383 173.523 -1.140 18511
6806 1 16 . 1 1 68 68 CYS CA C 66 57.828 57.828 57.813 0.015 18511
6807 1 16 . 1 1 68 68 CYS CB C 66 26.535 26.535 26.916 -0.381 18511
6808 1 16 . 1 1 68 68 CYS H H 66 9.102 9.102 9.044 0.058 18511
6809 1 16 . 1 1 69 69 ASP N N 67 129.420 129.420 129.680 -0.260 18511
6810 1 16 . 1 1 69 69 ASP HA H 67 4.953 4.953 4.886 0.067 18511
6811 1 16 . 1 1 69 69 ASP C C 67 173.128 173.128 175.065 -1.937 18511
6812 1 16 . 1 1 69 69 ASP CA C 67 53.459 53.459 52.872 0.587 18511
6813 1 16 . 1 1 69 69 ASP CB C 67 44.249 44.249 42.471 1.778 18511
6814 1 16 . 1 1 69 69 ASP H H 67 9.296 9.296 8.696 0.600 18511
6815 1 16 . 1 1 70 70 ALA N N 68 129.162 129.162 129.457 -0.295 18511
6816 1 16 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.587 0.467 18511
6817 1 16 . 1 1 70 70 ALA C C 68 175.108 175.108 177.143 -2.035 18511
6818 1 16 . 1 1 70 70 ALA CA C 68 49.404 49.404 50.190 -0.786 18511
6819 1 16 . 1 1 70 70 ALA CB C 68 21.402 21.402 18.329 3.073 18511
6820 1 16 . 1 1 70 70 ALA H H 68 8.179 8.179 8.049 0.130 18511
6821 1 16 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.204 -0.039 18511
6822 1 16 . 1 1 71 71 PRO C C 69 177.840 177.840 176.680 1.160 18511
6823 1 16 . 1 1 71 71 PRO CA C 69 65.906 65.906 65.355 0.551 18511
6824 1 16 . 1 1 71 71 PRO CB C 69 31.744 31.744 31.890 -0.146 18511
6825 1 16 . 1 1 72 72 GLN N N 70 113.851 113.851 115.847 -1.996 18511
6826 1 16 . 1 1 72 72 GLN HA H 70 4.363 4.363 4.469 -0.106 18511
6827 1 16 . 1 1 72 72 GLN C C 70 174.744 174.744 174.107 0.637 18511
6828 1 16 . 1 1 72 72 GLN CA C 70 55.239 55.239 55.118 0.121 18511
6829 1 16 . 1 1 72 72 GLN CB C 70 29.355 29.355 28.859 0.496 18511
6830 1 16 . 1 1 72 72 GLN H H 70 9.053 9.053 8.158 0.895 18511
6831 1 16 . 1 1 73 73 ASP N N 71 118.081 118.081 119.325 -1.244 18511
6832 1 16 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.692 0.132 18511
6833 1 16 . 1 1 73 73 ASP C C 71 173.017 173.017 173.489 -0.472 18511
6834 1 16 . 1 1 73 73 ASP CA C 71 53.992 53.992 54.837 -0.845 18511
6835 1 16 . 1 1 73 73 ASP CB C 71 44.449 44.449 43.495 0.954 18511
6836 1 16 . 1 1 73 73 ASP H H 71 7.336 7.336 7.669 -0.333 18511
6837 1 16 . 1 1 74 74 SER N N 72 114.356 114.356 114.807 -0.451 18511
6838 1 16 . 1 1 74 74 SER HA H 72 5.209 5.209 5.091 0.118 18511
6839 1 16 . 1 1 74 74 SER C C 72 174.189 174.189 173.568 0.621 18511
6840 1 16 . 1 1 74 74 SER CA C 72 57.604 57.604 57.483 0.121 18511
6841 1 16 . 1 1 74 74 SER CB C 72 64.697 64.697 66.057 -1.360 18511
6842 1 16 . 1 1 74 74 SER H H 72 8.161 8.161 8.206 -0.045 18511
6843 1 16 . 1 1 75 75 ARG N N 73 122.793 122.793 124.560 -1.767 18511
6844 1 16 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.717 -0.021 18511
6845 1 16 . 1 1 75 75 ARG C C 73 173.460 173.460 174.801 -1.341 18511
6846 1 16 . 1 1 75 75 ARG CA C 73 53.404 53.404 53.697 -0.293 18511
6847 1 16 . 1 1 75 75 ARG CB C 73 33.600 33.600 31.843 1.757 18511
6848 1 16 . 1 1 75 75 ARG H H 73 8.592 8.592 8.594 -0.002 18511
6849 1 16 . 1 1 76 76 ILE N N 74 122.343 122.343 124.793 -2.450 18511
6850 1 16 . 1 1 76 76 ILE HA H 74 5.154 5.154 4.282 0.872 18511
6851 1 16 . 1 1 76 76 ILE C C 74 175.266 175.266 175.870 -0.604 18511
6852 1 16 . 1 1 76 76 ILE CA C 74 59.620 59.620 60.957 -1.337 18511
6853 1 16 . 1 1 76 76 ILE CB C 74 40.889 40.889 38.042 2.847 18511
6854 1 16 . 1 1 76 76 ILE H H 74 8.262 8.262 8.091 0.171 18511
6855 1 16 . 1 1 77 77 PHE N N 75 126.428 126.428 128.650 -2.222 18511
6856 1 16 . 1 1 77 77 PHE HA H 75 5.524 5.524 5.286 0.238 18511
6857 1 16 . 1 1 77 77 PHE C C 75 174.680 174.680 176.135 -1.455 18511
6858 1 16 . 1 1 77 77 PHE CA C 75 55.570 55.570 56.533 -0.963 18511
6859 1 16 . 1 1 77 77 PHE CB C 75 42.186 42.186 39.803 2.382 18511
6860 1 16 . 1 1 77 77 PHE H H 75 9.932 9.932 9.121 0.811 18511
6861 1 16 . 1 1 78 78 LEU N N 76 126.068 126.068 126.871 -0.803 18511
6862 1 16 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.532 0.592 18511
6863 1 16 . 1 1 78 78 LEU C C 76 176.138 176.138 176.041 0.097 18511
6864 1 16 . 1 1 78 78 LEU CA C 76 53.799 53.799 55.090 -1.291 18511
6865 1 16 . 1 1 78 78 LEU CB C 76 41.851 41.851 40.881 0.970 18511
6866 1 16 . 1 1 78 78 LEU H H 76 9.091 9.091 8.583 0.508 18511
6867 1 16 . 1 1 79 79 VAL N N 77 129.130 129.130 126.687 2.443 18511
6868 1 16 . 1 1 79 79 VAL HA H 77 5.109 5.109 5.184 -0.075 18511
6869 1 16 . 1 1 79 79 VAL C C 77 176.597 176.597 175.530 1.067 18511
6870 1 16 . 1 1 79 79 VAL CA C 77 61.384 61.384 60.437 0.947 18511
6871 1 16 . 1 1 79 79 VAL CB C 77 33.846 33.846 32.281 1.565 18511
6872 1 16 . 1 1 79 79 VAL H H 77 9.408 9.408 8.228 1.180 18511
6873 1 16 . 1 1 80 80 SER N N 78 124.016 124.016 123.051 0.965 18511
6874 1 16 . 1 1 80 80 SER HA H 78 4.908 4.908 4.829 0.079 18511
6875 1 16 . 1 1 80 80 SER C C 78 172.431 172.431 174.147 -1.716 18511
6876 1 16 . 1 1 80 80 SER CA C 78 56.344 56.344 56.619 -0.275 18511
6877 1 16 . 1 1 80 80 SER CB C 78 65.164 65.164 63.908 1.256 18511
6878 1 16 . 1 1 80 80 SER H H 78 9.125 9.125 8.217 0.908 18511
6879 1 16 . 1 1 81 81 VAL N N 79 124.402 124.402 127.763 -3.361 18511
6880 1 16 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.391 0.144 18511
6881 1 16 . 1 1 81 81 VAL C C 79 174.744 174.744 175.773 -1.029 18511
6882 1 16 . 1 1 81 81 VAL CA C 79 61.028 61.028 62.737 -1.709 18511
6883 1 16 . 1 1 81 81 VAL CB C 79 32.741 32.741 31.045 1.696 18511
6884 1 16 . 1 1 81 81 VAL H H 79 8.638 8.638 8.873 -0.235 18511
6885 1 16 . 1 1 82 82 GLU N N 80 124.145 124.145 126.302 -2.157 18511
6886 1 16 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.619 -0.058 18511
6887 1 16 . 1 1 82 82 GLU C C 80 174.839 174.839 174.676 0.163 18511
6888 1 16 . 1 1 82 82 GLU CA C 80 54.664 54.664 54.393 0.271 18511
6889 1 16 . 1 1 82 82 GLU CB C 80 32.237 32.237 32.626 -0.389 18511
6890 1 16 . 1 1 82 82 GLU H H 80 8.281 8.281 8.682 -0.401 18511
6891 1 16 . 1 1 83 83 GLU N N 81 123.244 123.244 119.003 4.241 18511
6892 1 16 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.121 0.318 18511
6893 1 16 . 1 1 83 83 GLU C C 81 173.841 173.841 174.475 -0.634 18511
6894 1 16 . 1 1 83 83 GLU CA C 81 54.611 54.611 55.663 -1.052 18511
6895 1 16 . 1 1 83 83 GLU CB C 81 29.046 29.046 29.290 -0.244 18511
6896 1 16 . 1 1 83 83 GLU H H 81 8.656 8.656 8.662 -0.006 18511
6897 1 17 . 1 1 4 4 THR N N 2 121.282 121.282 117.252 4.030 18511
6898 1 17 . 1 1 4 4 THR HA H 2 4.463 4.463 4.110 0.353 18511
6899 1 17 . 1 1 4 4 THR C C 2 173.255 173.255 173.907 -0.652 18511
6900 1 17 . 1 1 4 4 THR CA C 2 62.056 62.056 62.457 -0.401 18511
6901 1 17 . 1 1 4 4 THR CB C 2 70.955 70.955 67.726 3.229 18511
6902 1 17 . 1 1 4 4 THR H H 2 8.319 8.319 8.431 -0.112 18511
6903 1 17 . 1 1 5 5 ARG N N 3 127.535 127.535 127.392 0.143 18511
6904 1 17 . 1 1 5 5 ARG HA H 3 5.083 5.083 4.946 0.137 18511
6905 1 17 . 1 1 5 5 ARG C C 3 175.694 175.694 175.344 0.350 18511
6906 1 17 . 1 1 5 5 ARG CA C 3 55.236 55.236 55.293 -0.057 18511
6907 1 17 . 1 1 5 5 ARG CB C 3 30.776 30.776 31.381 -0.605 18511
6908 1 17 . 1 1 5 5 ARG H H 3 8.958 8.958 8.319 0.639 18511
6909 1 17 . 1 1 6 6 VAL N N 4 125.495 125.495 126.685 -1.190 18511
6910 1 17 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.438 -0.106 18511
6911 1 17 . 1 1 6 6 VAL C C 4 173.365 173.365 174.900 -1.535 18511
6912 1 17 . 1 1 6 6 VAL CA C 4 61.473 61.473 60.955 0.518 18511
6913 1 17 . 1 1 6 6 VAL CB C 4 35.854 35.854 34.570 1.284 18511
6914 1 17 . 1 1 6 6 VAL H H 4 8.812 8.812 8.276 0.536 18511
6915 1 17 . 1 1 7 7 ARG N N 5 127.554 127.554 126.545 1.009 18511
6916 1 17 . 1 1 7 7 ARG HA H 5 5.175 5.175 4.807 0.368 18511
6917 1 17 . 1 1 7 7 ARG C C 5 175.694 175.694 175.519 0.175 18511
6918 1 17 . 1 1 7 7 ARG CA C 5 54.373 54.373 55.522 -1.149 18511
6919 1 17 . 1 1 7 7 ARG CB C 5 31.679 31.679 31.013 0.666 18511
6920 1 17 . 1 1 7 7 ARG H H 5 8.712 8.712 8.662 0.050 18511
6921 1 17 . 1 1 8 8 SER N N 6 120.281 120.281 119.162 1.119 18511
6922 1 17 . 1 1 8 8 SER HA H 6 4.762 4.762 4.776 -0.014 18511
6923 1 17 . 1 1 8 8 SER C C 6 173.555 173.555 173.753 -0.198 18511
6924 1 17 . 1 1 8 8 SER CA C 6 56.428 56.428 56.337 0.091 18511
6925 1 17 . 1 1 8 8 SER CB C 6 65.450 65.450 64.860 0.590 18511
6926 1 17 . 1 1 8 8 SER H H 6 8.669 8.669 8.280 0.389 18511
6927 1 17 . 1 1 9 9 THR N N 7 117.885 117.885 115.632 2.253 18511
6928 1 17 . 1 1 9 9 THR HA H 7 4.847 4.847 5.176 -0.329 18511
6929 1 17 . 1 1 9 9 THR C C 7 172.748 172.748 173.525 -0.777 18511
6930 1 17 . 1 1 9 9 THR CA C 7 59.436 59.436 58.886 0.550 18511
6931 1 17 . 1 1 9 9 THR CB C 7 69.938 69.938 69.318 0.620 18511
6932 1 17 . 1 1 9 9 THR H H 7 8.362 8.362 8.509 -0.147 18511
6933 1 17 . 1 1 10 10 PRO HA H 8 4.060 4.060 4.179 -0.119 18511
6934 1 17 . 1 1 10 10 PRO C C 8 177.966 177.966 177.649 0.317 18511
6935 1 17 . 1 1 10 10 PRO CA C 8 63.484 63.484 63.713 -0.229 18511
6936 1 17 . 1 1 10 10 PRO CB C 8 30.986 30.986 30.331 0.655 18511
6937 1 17 . 1 1 11 11 GLY N N 9 114.800 114.800 114.563 0.237 18511
6938 1 17 . 1 1 11 11 GLY C C 9 174.870 174.870 174.416 0.454 18511
6939 1 17 . 1 1 11 11 GLY CA C 9 45.147 45.147 44.853 0.294 18511
6940 1 17 . 1 1 11 11 GLY H H 9 9.824 9.824 8.454 1.370 18511
6941 1 17 . 1 1 12 12 GLY N N 10 109.721 109.721 108.538 1.183 18511
6942 1 17 . 1 1 12 12 GLY C C 10 171.924 171.924 172.174 -0.250 18511
6943 1 17 . 1 1 12 12 GLY CA C 10 43.913 43.913 43.342 0.571 18511
6944 1 17 . 1 1 12 12 GLY H H 10 8.172 8.172 7.830 0.342 18511
6945 1 17 . 1 1 13 13 ASP N N 11 119.275 119.275 118.800 0.475 18511
6946 1 17 . 1 1 13 13 ASP HA H 11 5.316 5.316 4.978 0.338 18511
6947 1 17 . 1 1 13 13 ASP C C 11 176.185 176.185 175.514 0.671 18511
6948 1 17 . 1 1 13 13 ASP CA C 11 53.404 53.404 52.666 0.738 18511
6949 1 17 . 1 1 13 13 ASP CB C 11 41.309 41.309 41.651 -0.342 18511
6950 1 17 . 1 1 13 13 ASP H H 11 8.442 8.442 8.250 0.192 18511
6951 1 17 . 1 1 14 14 LEU N N 12 125.431 125.431 122.926 2.505 18511
6952 1 17 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.406 0.020 18511
6953 1 17 . 1 1 14 14 LEU C C 12 174.934 174.934 175.562 -0.628 18511
6954 1 17 . 1 1 14 14 LEU CA C 12 53.697 53.697 54.788 -1.091 18511
6955 1 17 . 1 1 14 14 LEU CB C 12 44.170 44.170 43.928 0.242 18511
6956 1 17 . 1 1 14 14 LEU H H 12 8.889 8.889 8.338 0.551 18511
6957 1 17 . 1 1 15 15 GLU N N 13 126.203 126.203 125.056 1.147 18511
6958 1 17 . 1 1 15 15 GLU HA H 13 4.901 4.901 4.660 0.241 18511
6959 1 17 . 1 1 15 15 GLU C C 13 173.555 173.555 174.978 -1.423 18511
6960 1 17 . 1 1 15 15 GLU CA C 13 55.168 55.168 55.194 -0.027 18511
6961 1 17 . 1 1 15 15 GLU CB C 13 32.489 32.489 32.175 0.314 18511
6962 1 17 . 1 1 15 15 GLU H H 13 8.469 8.469 8.322 0.147 18511
6963 1 17 . 1 1 16 16 LEU N N 14 127.480 127.480 129.538 -2.058 18511
6964 1 17 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.584 -0.362 18511
6965 1 17 . 1 1 16 16 LEU C C 14 174.221 174.221 175.537 -1.316 18511
6966 1 17 . 1 1 16 16 LEU CA C 14 52.900 52.900 53.821 -0.921 18511
6967 1 17 . 1 1 16 16 LEU CB C 14 40.861 40.861 42.272 -1.411 18511
6968 1 17 . 1 1 16 16 LEU H H 14 9.082 9.082 8.590 0.492 18511
6969 1 17 . 1 1 17 17 VAL N N 15 122.038 122.038 126.327 -4.289 18511
6970 1 17 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.533 0.228 18511
6971 1 17 . 1 1 17 17 VAL C C 15 175.330 175.330 175.775 -0.445 18511
6972 1 17 . 1 1 17 17 VAL CA C 15 61.468 61.468 61.948 -0.480 18511
6973 1 17 . 1 1 17 17 VAL CB C 15 33.749 33.749 32.131 1.618 18511
6974 1 17 . 1 1 17 17 VAL H H 15 8.105 8.105 8.397 -0.292 18511
6975 1 17 . 1 1 18 18 VAL N N 16 127.741 127.741 127.510 0.231 18511
6976 1 17 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.548 -0.263 18511
6977 1 17 . 1 1 18 18 VAL C C 16 173.555 173.555 174.862 -1.307 18511
6978 1 17 . 1 1 18 18 VAL CA C 16 61.020 61.020 61.097 -0.077 18511
6979 1 17 . 1 1 18 18 VAL CB C 16 35.604 35.604 33.498 2.106 18511
6980 1 17 . 1 1 18 18 VAL H H 16 9.335 9.335 8.814 0.521 18511
6981 1 17 . 1 1 19 19 HIS N N 17 126.695 126.695 123.215 3.480 18511
6982 1 17 . 1 1 19 19 HIS HA H 17 5.023 5.023 5.161 -0.138 18511
6983 1 17 . 1 1 19 19 HIS C C 17 175.710 175.710 175.225 0.485 18511
6984 1 17 . 1 1 19 19 HIS CA C 17 55.225 55.225 54.696 0.529 18511
6985 1 17 . 1 1 19 19 HIS CB C 17 30.418 30.418 29.534 0.884 18511
6986 1 17 . 1 1 19 19 HIS H H 17 8.710 8.710 8.639 0.071 18511
6987 1 17 . 1 1 20 20 LEU N N 18 124.981 124.981 119.217 5.764 18511
6988 1 17 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.388 -0.077 18511
6989 1 17 . 1 1 20 20 LEU C C 18 177.357 177.357 177.861 -0.504 18511
6990 1 17 . 1 1 20 20 LEU CA C 18 54.162 54.162 55.128 -0.966 18511
6991 1 17 . 1 1 20 20 LEU CB C 18 43.005 43.005 41.644 1.361 18511
6992 1 17 . 1 1 20 20 LEU H H 18 8.941 8.941 7.908 1.033 18511
6993 1 17 . 1 1 21 21 SER N N 19 116.428 116.428 117.656 -1.228 18511
6994 1 17 . 1 1 21 21 SER HA H 19 4.280 4.280 4.486 -0.206 18511
6995 1 17 . 1 1 21 21 SER C C 19 174.348 174.348 174.110 0.238 18511
6996 1 17 . 1 1 21 21 SER CA C 19 59.696 59.696 58.729 0.967 18511
6997 1 17 . 1 1 21 21 SER CB C 19 63.364 63.364 62.181 1.183 18511
6998 1 17 . 1 1 21 21 SER H H 19 9.513 9.513 8.824 0.689 18511
6999 1 17 . 1 1 22 22 GLY N N 20 107.975 107.975 110.311 -2.336 18511
7000 1 17 . 1 1 22 22 GLY C C 20 171.306 171.306 172.307 -1.001 18511
7001 1 17 . 1 1 22 22 GLY CA C 20 44.193 44.193 42.969 1.224 18511
7002 1 17 . 1 1 22 22 GLY H H 20 7.532 7.532 7.588 -0.056 18511
7003 1 17 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.611 -0.248 18511
7004 1 17 . 1 1 23 23 PRO C C 21 177.141 177.141 178.035 -0.894 18511
7005 1 17 . 1 1 23 23 PRO CA C 21 63.096 63.096 62.814 0.282 18511
7006 1 17 . 1 1 23 23 PRO CB C 21 32.105 32.105 32.742 -0.637 18511
7007 1 17 . 1 1 24 24 GLY N N 22 107.827 107.827 111.346 -3.519 18511
7008 1 17 . 1 1 24 24 GLY C C 22 173.270 173.270 175.116 -1.846 18511
7009 1 17 . 1 1 24 24 GLY CA C 22 45.013 45.013 45.429 -0.416 18511
7010 1 17 . 1 1 24 24 GLY H H 22 8.264 8.264 8.678 -0.414 18511
7011 1 17 . 1 1 25 25 GLY N N 23 108.700 108.700 110.420 -1.720 18511
7012 1 17 . 1 1 25 25 GLY C C 23 170.292 170.292 172.644 -2.352 18511
7013 1 17 . 1 1 25 25 GLY CA C 23 43.573 43.573 44.749 -1.176 18511
7014 1 17 . 1 1 25 25 GLY H H 23 7.797 7.797 7.895 -0.098 18511
7015 1 17 . 1 1 26 26 PRO HA H 24 4.574 4.574 4.712 -0.138 18511
7016 1 17 . 1 1 26 26 PRO C C 24 175.331 175.331 176.121 -0.790 18511
7017 1 17 . 1 1 26 26 PRO CA C 24 62.105 62.105 62.483 -0.378 18511
7018 1 17 . 1 1 26 26 PRO CB C 24 34.842 34.842 33.014 1.827 18511
7019 1 17 . 1 1 27 27 VAL N N 25 121.565 121.565 120.147 1.418 18511
7020 1 17 . 1 1 27 27 VAL HA H 25 4.662 4.662 4.094 0.568 18511
7021 1 17 . 1 1 27 27 VAL C C 25 175.742 175.742 175.718 0.024 18511
7022 1 17 . 1 1 27 27 VAL CA C 25 61.384 61.384 61.778 -0.394 18511
7023 1 17 . 1 1 27 27 VAL CB C 25 32.971 32.971 32.411 0.560 18511
7024 1 17 . 1 1 27 27 VAL H H 25 8.579 8.579 8.335 0.244 18511
7025 1 17 . 1 1 28 28 ARG N N 26 127.876 127.876 127.270 0.606 18511
7026 1 17 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.518 0.064 18511
7027 1 17 . 1 1 28 28 ARG C C 26 173.144 173.144 174.943 -1.799 18511
7028 1 17 . 1 1 28 28 ARG CA C 26 54.861 54.861 54.869 -0.008 18511
7029 1 17 . 1 1 28 28 ARG CB C 26 34.589 34.589 31.914 2.675 18511
7030 1 17 . 1 1 28 28 ARG H H 26 8.856 8.856 8.488 0.368 18511
7031 1 17 . 1 1 29 29 TRP N N 27 121.571 121.571 124.615 -3.044 18511
7032 1 17 . 1 1 29 29 TRP HA H 27 5.986 5.986 4.996 0.990 18511
7033 1 17 . 1 1 29 29 TRP C C 27 175.932 175.932 175.905 0.027 18511
7034 1 17 . 1 1 29 29 TRP CA C 27 55.504 55.504 56.375 -0.871 18511
7035 1 17 . 1 1 29 29 TRP CB C 27 32.584 32.584 30.458 2.126 18511
7036 1 17 . 1 1 29 29 TRP H H 27 8.858 8.858 8.673 0.185 18511
7037 1 17 . 1 1 30 30 TYR N N 28 118.451 118.451 125.015 -6.564 18511
7038 1 17 . 1 1 30 30 TYR HA H 28 5.332 5.332 4.945 0.387 18511
7039 1 17 . 1 1 30 30 TYR C C 28 175.108 175.108 174.583 0.525 18511
7040 1 17 . 1 1 30 30 TYR CA C 28 55.924 55.924 56.695 -0.771 18511
7041 1 17 . 1 1 30 30 TYR CB C 28 43.194 43.194 41.424 1.770 18511
7042 1 17 . 1 1 30 30 TYR H H 28 9.605 9.605 9.048 0.557 18511
7043 1 17 . 1 1 31 31 LYS N N 29 120.638 120.638 121.753 -1.115 18511
7044 1 17 . 1 1 31 31 LYS HA H 29 4.790 4.790 4.759 0.031 18511
7045 1 17 . 1 1 31 31 LYS C C 29 176.565 176.565 176.848 -0.283 18511
7046 1 17 . 1 1 31 31 LYS CA C 29 54.496 54.496 54.489 0.007 18511
7047 1 17 . 1 1 31 31 LYS CB C 29 35.345 35.345 33.815 1.530 18511
7048 1 17 . 1 1 31 31 LYS H H 29 9.055 9.055 8.539 0.516 18511
7049 1 17 . 1 1 32 32 ASP N N 30 131.009 131.009 127.012 3.997 18511
7050 1 17 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.245 0.201 18511
7051 1 17 . 1 1 32 32 ASP C C 30 176.344 176.344 175.809 0.535 18511
7052 1 17 . 1 1 32 32 ASP CA C 30 55.846 55.846 55.890 -0.044 18511
7053 1 17 . 1 1 32 32 ASP CB C 30 40.289 40.289 40.613 -0.324 18511
7054 1 17 . 1 1 32 32 ASP H H 30 10.006 10.006 9.127 0.879 18511
7055 1 17 . 1 1 33 33 GLY N N 31 102.658 102.658 103.210 -0.552 18511
7056 1 17 . 1 1 33 33 GLY C C 31 173.809 173.809 173.354 0.455 18511
7057 1 17 . 1 1 33 33 GLY CA C 31 45.127 45.127 45.041 0.086 18511
7058 1 17 . 1 1 33 33 GLY H H 31 8.903 8.903 8.207 0.696 18511
7059 1 17 . 1 1 34 34 GLU N N 32 121.796 121.796 120.234 1.562 18511
7060 1 17 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.784 -0.042 18511
7061 1 17 . 1 1 34 34 GLU C C 32 175.789 175.789 175.131 0.658 18511
7062 1 17 . 1 1 34 34 GLU CA C 32 54.496 54.496 54.741 -0.245 18511
7063 1 17 . 1 1 34 34 GLU CB C 32 31.161 31.161 32.098 -0.937 18511
7064 1 17 . 1 1 34 34 GLU H H 32 8.152 8.152 7.961 0.191 18511
7065 1 17 . 1 1 35 35 ARG N N 33 126.589 126.589 124.096 2.493 18511
7066 1 17 . 1 1 35 35 ARG HA H 33 3.927 3.927 4.516 -0.589 18511
7067 1 17 . 1 1 35 35 ARG C C 33 176.296 176.296 175.381 0.915 18511
7068 1 17 . 1 1 35 35 ARG CA C 33 56.344 56.344 56.877 -0.533 18511
7069 1 17 . 1 1 35 35 ARG CB C 33 29.803 29.803 30.274 -0.471 18511
7070 1 17 . 1 1 35 35 ARG H H 33 8.928 8.928 8.858 0.070 18511
7071 1 17 . 1 1 36 36 LEU N N 34 127.490 127.490 123.232 4.258 18511
7072 1 17 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.516 0.081 18511
7073 1 17 . 1 1 36 36 LEU C C 34 175.361 175.361 175.923 -0.562 18511
7074 1 17 . 1 1 36 36 LEU CA C 34 53.656 53.656 54.015 -0.359 18511
7075 1 17 . 1 1 36 36 LEU CB C 34 44.501 44.501 42.897 1.604 18511
7076 1 17 . 1 1 36 36 LEU H H 34 8.668 8.668 7.844 0.824 18511
7077 1 17 . 1 1 37 37 ALA N N 35 124.016 124.016 123.069 0.947 18511
7078 1 17 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.552 -0.003 18511
7079 1 17 . 1 1 37 37 ALA C C 35 175.757 175.757 176.743 -0.986 18511
7080 1 17 . 1 1 37 37 ALA CA C 35 50.039 50.039 50.442 -0.403 18511
7081 1 17 . 1 1 37 37 ALA CB C 35 21.822 21.822 20.783 1.039 18511
7082 1 17 . 1 1 37 37 ALA H H 35 8.177 8.177 8.116 0.061 18511
7083 1 17 . 1 1 38 38 SER N N 36 114.574 114.574 117.553 -2.979 18511
7084 1 17 . 1 1 38 38 SER HA H 36 4.440 4.440 4.418 0.022 18511
7085 1 17 . 1 1 38 38 SER C C 36 174.005 174.005 174.556 -0.551 18511
7086 1 17 . 1 1 38 38 SER CA C 36 57.610 57.610 58.636 -1.026 18511
7087 1 17 . 1 1 38 38 SER CB C 36 62.056 62.056 62.648 -0.592 18511
7088 1 17 . 1 1 38 38 SER H H 36 8.444 8.444 8.686 -0.242 18511
7089 1 17 . 1 1 39 39 GLN N N 37 126.057 126.057 126.538 -0.481 18511
7090 1 17 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.471 -0.019 18511
7091 1 17 . 1 1 39 39 GLN C C 37 175.599 175.599 176.301 -0.702 18511
7092 1 17 . 1 1 39 39 GLN CA C 37 55.433 55.433 54.995 0.438 18511
7093 1 17 . 1 1 39 39 GLN CB C 37 29.970 29.970 30.218 -0.248 18511
7094 1 17 . 1 1 39 39 GLN H H 37 8.477 8.477 7.927 0.550 18511
7095 1 17 . 1 1 41 41 ARG HA H 39 4.228 4.228 4.159 0.069 18511
7096 1 17 . 1 1 41 41 ARG C C 39 174.776 174.776 176.905 -2.129 18511
7097 1 17 . 1 1 41 41 ARG CA C 39 57.143 57.143 57.285 -0.142 18511
7098 1 17 . 1 1 41 41 ARG CB C 39 30.504 30.504 30.609 -0.105 18511
7099 1 17 . 1 1 42 42 VAL N N 40 119.931 119.931 122.054 -2.123 18511
7100 1 17 . 1 1 42 42 VAL HA H 40 4.602 4.602 4.759 -0.157 18511
7101 1 17 . 1 1 42 42 VAL C C 40 174.854 174.854 174.681 0.173 18511
7102 1 17 . 1 1 42 42 VAL CA C 40 61.663 61.663 62.420 -0.757 18511
7103 1 17 . 1 1 42 42 VAL CB C 40 32.800 32.800 32.020 0.780 18511
7104 1 17 . 1 1 42 42 VAL H H 40 7.662 7.662 7.517 0.145 18511
7105 1 17 . 1 1 43 43 GLN N N 41 125.689 125.689 127.342 -1.653 18511
7106 1 17 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.665 -0.134 18511
7107 1 17 . 1 1 43 43 GLN C C 41 173.952 173.952 174.220 -0.268 18511
7108 1 17 . 1 1 43 43 GLN CA C 41 53.656 53.656 54.149 -0.493 18511
7109 1 17 . 1 1 43 43 GLN CB C 41 31.817 31.817 31.779 0.038 18511
7110 1 17 . 1 1 43 43 GLN H H 41 8.937 8.937 8.400 0.537 18511
7111 1 17 . 1 1 44 44 LEU N N 42 123.562 123.562 126.880 -3.318 18511
7112 1 17 . 1 1 44 44 LEU HA H 42 4.984 4.984 4.862 0.122 18511
7113 1 17 . 1 1 44 44 LEU C C 42 176.565 176.565 176.094 0.471 18511
7114 1 17 . 1 1 44 44 LEU CA C 42 52.931 52.931 53.507 -0.576 18511
7115 1 17 . 1 1 44 44 LEU CB C 42 42.474 42.474 42.392 0.081 18511
7116 1 17 . 1 1 44 44 LEU H H 42 8.231 8.231 8.594 -0.363 18511
7117 1 17 . 1 1 45 45 GLU N N 43 124.016 124.016 126.159 -2.143 18511
7118 1 17 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.500 0.156 18511
7119 1 17 . 1 1 45 45 GLU C C 43 175.346 175.346 174.804 0.542 18511
7120 1 17 . 1 1 45 45 GLU CA C 43 54.723 54.723 54.885 -0.162 18511
7121 1 17 . 1 1 45 45 GLU CB C 43 32.841 32.841 31.750 1.091 18511
7122 1 17 . 1 1 45 45 GLU H H 43 9.309 9.309 8.361 0.948 18511
7123 1 17 . 1 1 46 46 GLN N N 44 125.220 125.220 124.340 0.880 18511
7124 1 17 . 1 1 46 46 GLN HA H 44 4.928 4.928 4.871 0.057 18511
7125 1 17 . 1 1 46 46 GLN C C 44 174.332 174.332 174.680 -0.348 18511
7126 1 17 . 1 1 46 46 GLN CA C 44 54.832 54.832 54.757 0.075 18511
7127 1 17 . 1 1 46 46 GLN CB C 44 30.726 30.726 29.525 1.201 18511
7128 1 17 . 1 1 46 46 GLN H H 44 8.825 8.825 8.903 -0.078 18511
7129 1 17 . 1 1 47 47 ALA N N 45 129.999 129.999 126.448 3.551 18511
7130 1 17 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.509 0.163 18511
7131 1 17 . 1 1 47 47 ALA C C 45 177.056 177.056 176.747 0.309 18511
7132 1 17 . 1 1 47 47 ALA CA C 45 50.716 50.716 51.798 -1.082 18511
7133 1 17 . 1 1 47 47 ALA CB C 45 18.798 18.798 20.112 -1.314 18511
7134 1 17 . 1 1 47 47 ALA H H 45 8.636 8.636 8.504 0.132 18511
7135 1 17 . 1 1 48 48 GLY CA C 46 46.885 46.885 45.299 1.586 18511
7136 1 17 . 1 1 49 49 ALA HA H 47 4.183 4.183 4.305 -0.122 18511
7137 1 17 . 1 1 49 49 ALA C C 47 176.586 176.586 177.502 -0.916 18511
7138 1 17 . 1 1 49 49 ALA CA C 47 53.068 53.068 53.378 -0.310 18511
7139 1 17 . 1 1 49 49 ALA CB C 47 18.714 18.714 19.460 -0.746 18511
7140 1 17 . 1 1 50 50 ARG N N 48 119.282 119.282 119.975 -0.693 18511
7141 1 17 . 1 1 50 50 ARG HA H 48 4.635 4.635 5.041 -0.406 18511
7142 1 17 . 1 1 50 50 ARG C C 48 174.348 174.348 174.969 -0.621 18511
7143 1 17 . 1 1 50 50 ARG CA C 48 55.672 55.672 55.219 0.453 18511
7144 1 17 . 1 1 50 50 ARG CB C 48 31.413 31.413 30.977 0.436 18511
7145 1 17 . 1 1 50 50 ARG H H 48 7.725 7.725 8.089 -0.364 18511
7146 1 17 . 1 1 51 51 GLN N N 49 125.499 125.499 125.286 0.213 18511
7147 1 17 . 1 1 51 51 GLN HA H 49 4.961 4.961 5.254 -0.293 18511
7148 1 17 . 1 1 51 51 GLN C C 49 174.427 174.427 174.739 -0.312 18511
7149 1 17 . 1 1 51 51 GLN CA C 49 53.404 53.404 54.040 -0.636 18511
7150 1 17 . 1 1 51 51 GLN CB C 49 30.133 30.133 32.744 -2.611 18511
7151 1 17 . 1 1 51 51 GLN H H 49 9.086 9.086 7.966 1.120 18511
7152 1 17 . 1 1 52 52 VAL N N 50 121.957 121.957 123.413 -1.456 18511
7153 1 17 . 1 1 52 52 VAL HA H 50 5.185 5.185 4.958 0.227 18511
7154 1 17 . 1 1 52 52 VAL C C 50 173.714 173.714 173.763 -0.049 18511
7155 1 17 . 1 1 52 52 VAL CA C 50 60.314 60.314 60.811 -0.497 18511
7156 1 17 . 1 1 52 52 VAL CB C 50 36.154 36.154 34.011 2.143 18511
7157 1 17 . 1 1 52 52 VAL H H 50 8.687 8.687 8.960 -0.273 18511
7158 1 17 . 1 1 53 53 LEU N N 51 129.580 129.580 129.434 0.146 18511
7159 1 17 . 1 1 53 53 LEU HA H 51 4.389 4.389 4.907 -0.518 18511
7160 1 17 . 1 1 53 53 LEU C C 51 174.427 174.427 174.685 -0.258 18511
7161 1 17 . 1 1 53 53 LEU CA C 51 53.536 53.536 52.262 1.274 18511
7162 1 17 . 1 1 53 53 LEU CB C 51 42.056 42.056 42.745 -0.689 18511
7163 1 17 . 1 1 53 53 LEU H H 51 8.380 8.380 7.800 0.580 18511
7164 1 17 . 1 1 54 54 ARG N N 52 125.706 125.706 127.279 -1.573 18511
7165 1 17 . 1 1 54 54 ARG HA H 52 5.255 5.255 4.830 0.425 18511
7166 1 17 . 1 1 54 54 ARG C C 52 174.981 174.981 174.865 0.116 18511
7167 1 17 . 1 1 54 54 ARG CA C 52 53.992 53.992 54.737 -0.745 18511
7168 1 17 . 1 1 54 54 ARG CB C 52 33.497 33.497 32.550 0.947 18511
7169 1 17 . 1 1 54 54 ARG H H 52 8.956 8.956 8.475 0.481 18511
7170 1 17 . 1 1 55 55 VAL N N 53 123.212 123.212 123.943 -0.731 18511
7171 1 17 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.396 0.223 18511
7172 1 17 . 1 1 55 55 VAL C C 53 175.124 175.124 174.510 0.614 18511
7173 1 17 . 1 1 55 55 VAL CA C 53 61.092 61.092 61.274 -0.182 18511
7174 1 17 . 1 1 55 55 VAL CB C 53 34.527 34.527 32.920 1.607 18511
7175 1 17 . 1 1 55 55 VAL H H 53 8.511 8.511 8.113 0.398 18511
7176 1 17 . 1 1 56 56 GLN N N 54 126.653 126.653 128.539 -1.886 18511
7177 1 17 . 1 1 56 56 GLN HA H 54 4.518 4.518 4.133 0.385 18511
7178 1 17 . 1 1 56 56 GLN C C 54 176.296 176.296 176.382 -0.086 18511
7179 1 17 . 1 1 56 56 GLN CA C 54 55.022 55.022 56.406 -1.383 18511
7180 1 17 . 1 1 56 56 GLN CB C 54 29.749 29.749 29.322 0.427 18511
7181 1 17 . 1 1 56 56 GLN H H 54 8.509 8.509 8.188 0.320 18511
7182 1 17 . 1 1 57 57 GLY N N 55 114.559 114.559 112.741 1.818 18511
7183 1 17 . 1 1 57 57 GLY C C 55 174.585 174.585 173.880 0.705 18511
7184 1 17 . 1 1 57 57 GLY CA C 55 47.319 47.319 44.793 2.526 18511
7185 1 17 . 1 1 57 57 GLY H H 55 8.420 8.420 8.178 0.242 18511
7186 1 17 . 1 1 58 58 ALA N N 56 122.793 122.793 122.802 -0.009 18511
7187 1 17 . 1 1 58 58 ALA HA H 56 4.088 4.088 4.182 -0.094 18511
7188 1 17 . 1 1 58 58 ALA C C 56 177.120 177.120 176.044 1.076 18511
7189 1 17 . 1 1 58 58 ALA CA C 56 53.051 53.051 52.873 0.178 18511
7190 1 17 . 1 1 58 58 ALA CB C 56 18.051 18.051 18.584 -0.533 18511
7191 1 17 . 1 1 58 58 ALA H H 56 8.977 8.977 8.037 0.940 18511
7192 1 17 . 1 1 59 59 ARG N N 57 122.118 122.118 123.753 -1.635 18511
7193 1 17 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.331 0.420 18511
7194 1 17 . 1 1 59 59 ARG C C 57 177.231 177.231 176.898 0.333 18511
7195 1 17 . 1 1 59 59 ARG CA C 57 53.236 53.236 56.858 -3.622 18511
7196 1 17 . 1 1 59 59 ARG CB C 57 33.526 33.526 30.838 2.688 18511
7197 1 17 . 1 1 59 59 ARG H H 57 9.709 9.709 8.205 1.504 18511
7198 1 17 . 1 1 61 61 GLY C C 59 174.202 174.202 172.308 1.894 18511
7199 1 17 . 1 1 61 61 GLY CA C 59 45.899 45.899 44.978 0.921 18511
7200 1 17 . 1 1 62 62 ASP N N 60 116.489 116.489 121.447 -4.958 18511
7201 1 17 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.883 -0.212 18511
7202 1 17 . 1 1 62 62 ASP C C 60 176.692 176.692 174.128 2.564 18511
7203 1 17 . 1 1 62 62 ASP CA C 60 54.854 54.854 54.094 0.760 18511
7204 1 17 . 1 1 62 62 ASP CB C 60 41.130 41.130 41.520 -0.390 18511
7205 1 17 . 1 1 62 62 ASP H H 60 8.300 8.300 8.150 0.150 18511
7206 1 17 . 1 1 63 63 ALA N N 61 122.793 122.793 123.924 -1.131 18511
7207 1 17 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.573 -0.468 18511
7208 1 17 . 1 1 63 63 ALA C C 61 176.581 176.581 176.045 0.536 18511
7209 1 17 . 1 1 63 63 ALA CA C 61 52.732 52.732 52.366 0.366 18511
7210 1 17 . 1 1 63 63 ALA CB C 61 19.806 19.806 20.071 -0.265 18511
7211 1 17 . 1 1 63 63 ALA H H 61 7.551 7.551 8.205 -0.654 18511
7212 1 17 . 1 1 64 64 GLY N N 62 108.029 108.029 108.258 -0.229 18511
7213 1 17 . 1 1 64 64 GLY C C 62 171.274 171.274 173.090 -1.816 18511
7214 1 17 . 1 1 64 64 GLY CA C 62 44.826 44.826 45.204 -0.378 18511
7215 1 17 . 1 1 64 64 GLY H H 62 8.720 8.720 7.921 0.799 18511
7216 1 17 . 1 1 65 65 GLU N N 63 122.343 122.343 121.701 0.642 18511
7217 1 17 . 1 1 65 65 GLU HA H 63 5.134 5.134 5.129 0.005 18511
7218 1 17 . 1 1 65 65 GLU C C 63 175.900 175.900 175.637 0.263 18511
7219 1 17 . 1 1 65 65 GLU CA C 63 55.309 55.309 55.946 -0.637 18511
7220 1 17 . 1 1 65 65 GLU CB C 63 31.183 31.183 30.838 0.345 18511
7221 1 17 . 1 1 65 65 GLU H H 63 9.038 9.038 8.275 0.763 18511
7222 1 17 . 1 1 66 66 TYR N N 64 128.776 128.776 123.678 5.098 18511
7223 1 17 . 1 1 66 66 TYR HA H 64 5.769 5.769 5.164 0.605 18511
7224 1 17 . 1 1 66 66 TYR C C 64 174.157 174.157 175.571 -1.414 18511
7225 1 17 . 1 1 66 66 TYR CA C 64 56.596 56.596 57.034 -0.438 18511
7226 1 17 . 1 1 66 66 TYR CB C 64 40.857 40.857 39.912 0.945 18511
7227 1 17 . 1 1 66 66 TYR H H 64 9.984 9.984 9.170 0.814 18511
7228 1 17 . 1 1 67 67 LEU N N 65 125.560 125.560 127.096 -1.536 18511
7229 1 17 . 1 1 67 67 LEU HA H 65 5.360 5.360 5.072 0.288 18511
7230 1 17 . 1 1 67 67 LEU C C 65 174.617 174.617 175.739 -1.122 18511
7231 1 17 . 1 1 67 67 LEU CA C 65 53.294 53.294 53.761 -0.467 18511
7232 1 17 . 1 1 67 67 LEU CB C 65 46.296 46.296 43.133 3.163 18511
7233 1 17 . 1 1 67 67 LEU H H 65 9.385 9.385 9.077 0.308 18511
7234 1 17 . 1 1 68 68 CYS N N 66 127.135 127.135 128.923 -1.788 18511
7235 1 17 . 1 1 68 68 CYS HA H 66 3.994 3.994 3.725 0.269 18511
7236 1 17 . 1 1 68 68 CYS C C 66 172.383 172.383 173.471 -1.088 18511
7237 1 17 . 1 1 68 68 CYS CA C 66 57.828 57.828 57.594 0.234 18511
7238 1 17 . 1 1 68 68 CYS CB C 66 26.535 26.535 26.467 0.068 18511
7239 1 17 . 1 1 68 68 CYS H H 66 9.102 9.102 8.883 0.219 18511
7240 1 17 . 1 1 69 69 ASP N N 67 129.420 129.420 129.033 0.387 18511
7241 1 17 . 1 1 69 69 ASP HA H 67 4.953 4.953 4.785 0.168 18511
7242 1 17 . 1 1 69 69 ASP C C 67 173.128 173.128 174.784 -1.656 18511
7243 1 17 . 1 1 69 69 ASP CA C 67 53.459 53.459 53.258 0.201 18511
7244 1 17 . 1 1 69 69 ASP CB C 67 44.249 44.249 42.563 1.686 18511
7245 1 17 . 1 1 69 69 ASP H H 67 9.296 9.296 8.587 0.709 18511
7246 1 17 . 1 1 70 70 ALA N N 68 129.162 129.162 129.101 0.061 18511
7247 1 17 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.652 0.402 18511
7248 1 17 . 1 1 70 70 ALA C C 68 175.108 175.108 175.703 -0.595 18511
7249 1 17 . 1 1 70 70 ALA CA C 68 49.404 49.404 49.082 0.322 18511
7250 1 17 . 1 1 70 70 ALA CB C 68 21.402 21.402 19.117 2.285 18511
7251 1 17 . 1 1 70 70 ALA H H 68 8.179 8.179 7.760 0.419 18511
7252 1 17 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.192 -0.027 18511
7253 1 17 . 1 1 71 71 PRO C C 69 177.840 177.840 178.093 -0.253 18511
7254 1 17 . 1 1 71 71 PRO CA C 69 65.906 65.906 64.732 1.174 18511
7255 1 17 . 1 1 71 71 PRO CB C 69 31.744 31.744 32.179 -0.435 18511
7256 1 17 . 1 1 72 72 GLN N N 70 113.851 113.851 118.191 -4.340 18511
7257 1 17 . 1 1 72 72 GLN HA H 70 4.363 4.363 4.208 0.155 18511
7258 1 17 . 1 1 72 72 GLN C C 70 174.744 174.744 175.199 -0.455 18511
7259 1 17 . 1 1 72 72 GLN CA C 70 55.239 55.239 57.380 -2.141 18511
7260 1 17 . 1 1 72 72 GLN CB C 70 29.355 29.355 29.263 0.092 18511
7261 1 17 . 1 1 72 72 GLN H H 70 9.053 9.053 8.248 0.805 18511
7262 1 17 . 1 1 73 73 ASP N N 71 118.081 118.081 116.364 1.717 18511
7263 1 17 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.689 0.135 18511
7264 1 17 . 1 1 73 73 ASP C C 71 173.017 173.017 174.720 -1.703 18511
7265 1 17 . 1 1 73 73 ASP CA C 71 53.992 53.992 53.617 0.375 18511
7266 1 17 . 1 1 73 73 ASP CB C 71 44.449 44.449 42.124 2.325 18511
7267 1 17 . 1 1 73 73 ASP H H 71 7.336 7.336 7.895 -0.559 18511
7268 1 17 . 1 1 74 74 SER N N 72 114.356 114.356 120.175 -5.819 18511
7269 1 17 . 1 1 74 74 SER HA H 72 5.209 5.209 4.605 0.604 18511
7270 1 17 . 1 1 74 74 SER C C 72 174.189 174.189 174.162 0.027 18511
7271 1 17 . 1 1 74 74 SER CA C 72 57.604 57.604 59.039 -1.435 18511
7272 1 17 . 1 1 74 74 SER CB C 72 64.697 64.697 64.325 0.372 18511
7273 1 17 . 1 1 74 74 SER H H 72 8.161 8.161 8.467 -0.306 18511
7274 1 17 . 1 1 75 75 ARG N N 73 122.793 122.793 120.688 2.105 18511
7275 1 17 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.503 0.193 18511
7276 1 17 . 1 1 75 75 ARG C C 73 173.460 173.460 173.800 -0.340 18511
7277 1 17 . 1 1 75 75 ARG CA C 73 53.404 53.404 55.537 -2.133 18511
7278 1 17 . 1 1 75 75 ARG CB C 73 33.600 33.600 32.896 0.704 18511
7279 1 17 . 1 1 75 75 ARG H H 73 8.592 8.592 8.070 0.522 18511
7280 1 17 . 1 1 76 76 ILE N N 74 122.343 122.343 125.200 -2.857 18511
7281 1 17 . 1 1 76 76 ILE HA H 74 5.154 5.154 4.273 0.881 18511
7282 1 17 . 1 1 76 76 ILE C C 74 175.266 175.266 175.015 0.251 18511
7283 1 17 . 1 1 76 76 ILE CA C 74 59.620 59.620 60.617 -0.997 18511
7284 1 17 . 1 1 76 76 ILE CB C 74 40.889 40.889 38.667 2.222 18511
7285 1 17 . 1 1 76 76 ILE H H 74 8.262 8.262 8.438 -0.176 18511
7286 1 17 . 1 1 77 77 PHE N N 75 126.428 126.428 127.451 -1.023 18511
7287 1 17 . 1 1 77 77 PHE HA H 75 5.524 5.524 5.167 0.357 18511
7288 1 17 . 1 1 77 77 PHE C C 75 174.680 174.680 176.070 -1.390 18511
7289 1 17 . 1 1 77 77 PHE CA C 75 55.570 55.570 56.415 -0.845 18511
7290 1 17 . 1 1 77 77 PHE CB C 75 42.186 42.186 40.462 1.724 18511
7291 1 17 . 1 1 77 77 PHE H H 75 9.932 9.932 8.883 1.049 18511
7292 1 17 . 1 1 78 78 LEU N N 76 126.068 126.068 126.805 -0.737 18511
7293 1 17 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.456 0.668 18511
7294 1 17 . 1 1 78 78 LEU C C 76 176.138 176.138 175.383 0.755 18511
7295 1 17 . 1 1 78 78 LEU CA C 76 53.799 53.799 54.883 -1.084 18511
7296 1 17 . 1 1 78 78 LEU CB C 76 41.851 41.851 40.307 1.544 18511
7297 1 17 . 1 1 78 78 LEU H H 76 9.091 9.091 8.666 0.425 18511
7298 1 17 . 1 1 79 79 VAL N N 77 129.130 129.130 126.185 2.945 18511
7299 1 17 . 1 1 79 79 VAL HA H 77 5.109 5.109 4.970 0.139 18511
7300 1 17 . 1 1 79 79 VAL C C 77 176.597 176.597 175.682 0.915 18511
7301 1 17 . 1 1 79 79 VAL CA C 77 61.384 61.384 61.377 0.007 18511
7302 1 17 . 1 1 79 79 VAL CB C 77 33.846 33.846 32.726 1.120 18511
7303 1 17 . 1 1 79 79 VAL H H 77 9.408 9.408 8.095 1.313 18511
7304 1 17 . 1 1 80 80 SER N N 78 124.016 124.016 124.330 -0.314 18511
7305 1 17 . 1 1 80 80 SER HA H 78 4.908 4.908 4.802 0.106 18511
7306 1 17 . 1 1 80 80 SER C C 78 172.431 172.431 173.930 -1.499 18511
7307 1 17 . 1 1 80 80 SER CA C 78 56.344 56.344 56.928 -0.584 18511
7308 1 17 . 1 1 80 80 SER CB C 78 65.164 65.164 64.256 0.908 18511
7309 1 17 . 1 1 80 80 SER H H 78 9.125 9.125 8.193 0.932 18511
7310 1 17 . 1 1 81 81 VAL N N 79 124.402 124.402 127.914 -3.512 18511
7311 1 17 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.545 -0.010 18511
7312 1 17 . 1 1 81 81 VAL C C 79 174.744 174.744 176.132 -1.388 18511
7313 1 17 . 1 1 81 81 VAL CA C 79 61.028 61.028 62.471 -1.444 18511
7314 1 17 . 1 1 81 81 VAL CB C 79 32.741 32.741 30.416 2.325 18511
7315 1 17 . 1 1 81 81 VAL H H 79 8.638 8.638 8.983 -0.345 18511
7316 1 17 . 1 1 82 82 GLU N N 80 124.145 124.145 123.580 0.565 18511
7317 1 17 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.393 0.168 18511
7318 1 17 . 1 1 82 82 GLU C C 80 174.839 174.839 176.089 -1.250 18511
7319 1 17 . 1 1 82 82 GLU CA C 80 54.664 54.664 56.236 -1.573 18511
7320 1 17 . 1 1 82 82 GLU CB C 80 32.237 32.237 30.452 1.785 18511
7321 1 17 . 1 1 82 82 GLU H H 80 8.281 8.281 8.193 0.088 18511
7322 1 17 . 1 1 83 83 GLU N N 81 123.244 123.244 124.511 -1.267 18511
7323 1 17 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.566 -0.127 18511
7324 1 17 . 1 1 83 83 GLU C C 81 173.841 173.841 175.014 -1.173 18511
7325 1 17 . 1 1 83 83 GLU CA C 81 54.611 54.611 54.442 0.169 18511
7326 1 17 . 1 1 83 83 GLU CB C 81 29.046 29.046 29.843 -0.797 18511
7327 1 17 . 1 1 83 83 GLU H H 81 8.656 8.656 8.334 0.322 18511
7328 1 18 . 1 1 4 4 THR N N 2 121.282 121.282 118.859 2.423 18511
7329 1 18 . 1 1 4 4 THR HA H 2 4.463 4.463 4.150 0.313 18511
7330 1 18 . 1 1 4 4 THR C C 2 173.255 173.255 173.868 -0.613 18511
7331 1 18 . 1 1 4 4 THR CA C 2 62.056 62.056 62.679 -0.623 18511
7332 1 18 . 1 1 4 4 THR CB C 2 70.955 70.955 67.347 3.608 18511
7333 1 18 . 1 1 4 4 THR H H 2 8.319 8.319 8.295 0.024 18511
7334 1 18 . 1 1 5 5 ARG N N 3 127.535 127.535 126.954 0.581 18511
7335 1 18 . 1 1 5 5 ARG HA H 3 5.083 5.083 4.561 0.522 18511
7336 1 18 . 1 1 5 5 ARG C C 3 175.694 175.694 175.482 0.212 18511
7337 1 18 . 1 1 5 5 ARG CA C 3 55.236 55.236 55.886 -0.650 18511
7338 1 18 . 1 1 5 5 ARG CB C 3 30.776 30.776 31.285 -0.509 18511
7339 1 18 . 1 1 5 5 ARG H H 3 8.958 8.958 8.102 0.856 18511
7340 1 18 . 1 1 6 6 VAL N N 4 125.495 125.495 124.516 0.979 18511
7341 1 18 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.345 -0.013 18511
7342 1 18 . 1 1 6 6 VAL C C 4 173.365 173.365 174.625 -1.260 18511
7343 1 18 . 1 1 6 6 VAL CA C 4 61.473 61.473 60.827 0.646 18511
7344 1 18 . 1 1 6 6 VAL CB C 4 35.854 35.854 34.801 1.053 18511
7345 1 18 . 1 1 6 6 VAL H H 4 8.812 8.812 8.146 0.666 18511
7346 1 18 . 1 1 7 7 ARG N N 5 127.554 127.554 129.078 -1.524 18511
7347 1 18 . 1 1 7 7 ARG HA H 5 5.175 5.175 4.957 0.218 18511
7348 1 18 . 1 1 7 7 ARG C C 5 175.694 175.694 175.522 0.172 18511
7349 1 18 . 1 1 7 7 ARG CA C 5 54.373 54.373 55.760 -1.387 18511
7350 1 18 . 1 1 7 7 ARG CB C 5 31.679 31.679 31.648 0.031 18511
7351 1 18 . 1 1 7 7 ARG H H 5 8.712 8.712 8.686 0.026 18511
7352 1 18 . 1 1 8 8 SER N N 6 120.281 120.281 119.242 1.039 18511
7353 1 18 . 1 1 8 8 SER HA H 6 4.762 4.762 4.774 -0.012 18511
7354 1 18 . 1 1 8 8 SER C C 6 173.555 173.555 173.372 0.183 18511
7355 1 18 . 1 1 8 8 SER CA C 6 56.428 56.428 57.184 -0.756 18511
7356 1 18 . 1 1 8 8 SER CB C 6 65.450 65.450 65.684 -0.234 18511
7357 1 18 . 1 1 8 8 SER H H 6 8.669 8.669 8.979 -0.310 18511
7358 1 18 . 1 1 9 9 THR N N 7 117.885 117.885 116.550 1.335 18511
7359 1 18 . 1 1 9 9 THR HA H 7 4.847 4.847 5.300 -0.453 18511
7360 1 18 . 1 1 9 9 THR C C 7 172.748 172.748 173.796 -1.048 18511
7361 1 18 . 1 1 9 9 THR CA C 7 59.436 59.436 58.936 0.500 18511
7362 1 18 . 1 1 9 9 THR CB C 7 69.938 69.938 69.120 0.818 18511
7363 1 18 . 1 1 9 9 THR H H 7 8.362 8.362 8.435 -0.073 18511
7364 1 18 . 1 1 10 10 PRO HA H 8 4.060 4.060 4.514 -0.454 18511
7365 1 18 . 1 1 10 10 PRO C C 8 177.966 177.966 177.290 0.676 18511
7366 1 18 . 1 1 10 10 PRO CA C 8 63.484 63.484 62.550 0.934 18511
7367 1 18 . 1 1 10 10 PRO CB C 8 30.986 30.986 32.383 -1.397 18511
7368 1 18 . 1 1 11 11 GLY N N 9 114.800 114.800 112.643 2.157 18511
7369 1 18 . 1 1 11 11 GLY C C 9 174.870 174.870 174.724 0.146 18511
7370 1 18 . 1 1 11 11 GLY CA C 9 45.147 45.147 45.601 -0.454 18511
7371 1 18 . 1 1 11 11 GLY H H 9 9.824 9.824 8.600 1.224 18511
7372 1 18 . 1 1 12 12 GLY N N 10 109.721 109.721 109.555 0.166 18511
7373 1 18 . 1 1 12 12 GLY C C 10 171.924 171.924 172.110 -0.186 18511
7374 1 18 . 1 1 12 12 GLY CA C 10 43.913 43.913 43.787 0.126 18511
7375 1 18 . 1 1 12 12 GLY H H 10 8.172 8.172 7.445 0.727 18511
7376 1 18 . 1 1 13 13 ASP N N 11 119.275 119.275 119.290 -0.015 18511
7377 1 18 . 1 1 13 13 ASP HA H 11 5.316 5.316 5.120 0.196 18511
7378 1 18 . 1 1 13 13 ASP C C 11 176.185 176.185 175.326 0.859 18511
7379 1 18 . 1 1 13 13 ASP CA C 11 53.404 53.404 52.472 0.932 18511
7380 1 18 . 1 1 13 13 ASP CB C 11 41.309 41.309 42.580 -1.271 18511
7381 1 18 . 1 1 13 13 ASP H H 11 8.442 8.442 8.085 0.357 18511
7382 1 18 . 1 1 14 14 LEU N N 12 125.431 125.431 123.151 2.280 18511
7383 1 18 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.360 0.066 18511
7384 1 18 . 1 1 14 14 LEU C C 12 174.934 174.934 175.443 -0.509 18511
7385 1 18 . 1 1 14 14 LEU CA C 12 53.697 53.697 54.941 -1.244 18511
7386 1 18 . 1 1 14 14 LEU CB C 12 44.170 44.170 43.344 0.826 18511
7387 1 18 . 1 1 14 14 LEU H H 12 8.889 8.889 8.071 0.818 18511
7388 1 18 . 1 1 15 15 GLU N N 13 126.203 126.203 127.721 -1.518 18511
7389 1 18 . 1 1 15 15 GLU HA H 13 4.901 4.901 4.742 0.159 18511
7390 1 18 . 1 1 15 15 GLU C C 13 173.555 173.555 175.379 -1.824 18511
7391 1 18 . 1 1 15 15 GLU CA C 13 55.168 55.168 54.765 0.403 18511
7392 1 18 . 1 1 15 15 GLU CB C 13 32.489 32.489 31.513 0.976 18511
7393 1 18 . 1 1 15 15 GLU H H 13 8.469 8.469 8.478 -0.009 18511
7394 1 18 . 1 1 16 16 LEU N N 14 127.480 127.480 129.769 -2.289 18511
7395 1 18 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.609 -0.387 18511
7396 1 18 . 1 1 16 16 LEU C C 14 174.221 174.221 175.554 -1.333 18511
7397 1 18 . 1 1 16 16 LEU CA C 14 52.900 52.900 54.239 -1.339 18511
7398 1 18 . 1 1 16 16 LEU CB C 14 40.861 40.861 42.012 -1.151 18511
7399 1 18 . 1 1 16 16 LEU H H 14 9.082 9.082 8.702 0.380 18511
7400 1 18 . 1 1 17 17 VAL N N 15 122.038 122.038 126.496 -4.458 18511
7401 1 18 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.448 0.313 18511
7402 1 18 . 1 1 17 17 VAL C C 15 175.330 175.330 175.566 -0.236 18511
7403 1 18 . 1 1 17 17 VAL CA C 15 61.468 61.468 61.675 -0.207 18511
7404 1 18 . 1 1 17 17 VAL CB C 15 33.749 33.749 32.261 1.488 18511
7405 1 18 . 1 1 17 17 VAL H H 15 8.105 8.105 8.302 -0.197 18511
7406 1 18 . 1 1 18 18 VAL N N 16 127.741 127.741 126.600 1.141 18511
7407 1 18 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.453 -0.168 18511
7408 1 18 . 1 1 18 18 VAL C C 16 173.555 173.555 175.621 -2.066 18511
7409 1 18 . 1 1 18 18 VAL CA C 16 61.020 61.020 61.205 -0.185 18511
7410 1 18 . 1 1 18 18 VAL CB C 16 35.604 35.604 33.358 2.246 18511
7411 1 18 . 1 1 18 18 VAL H H 16 9.335 9.335 8.466 0.869 18511
7412 1 18 . 1 1 19 19 HIS N N 17 126.695 126.695 123.339 3.356 18511
7413 1 18 . 1 1 19 19 HIS HA H 17 5.023 5.023 5.101 -0.078 18511
7414 1 18 . 1 1 19 19 HIS C C 17 175.710 175.710 175.209 0.501 18511
7415 1 18 . 1 1 19 19 HIS CA C 17 55.225 55.225 54.756 0.469 18511
7416 1 18 . 1 1 19 19 HIS CB C 17 30.418 30.418 28.998 1.420 18511
7417 1 18 . 1 1 19 19 HIS H H 17 8.710 8.710 8.652 0.058 18511
7418 1 18 . 1 1 20 20 LEU N N 18 124.981 124.981 118.795 6.186 18511
7419 1 18 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.369 -0.058 18511
7420 1 18 . 1 1 20 20 LEU C C 18 177.357 177.357 177.763 -0.406 18511
7421 1 18 . 1 1 20 20 LEU CA C 18 54.162 54.162 54.729 -0.567 18511
7422 1 18 . 1 1 20 20 LEU CB C 18 43.005 43.005 41.688 1.317 18511
7423 1 18 . 1 1 20 20 LEU H H 18 8.941 8.941 7.630 1.311 18511
7424 1 18 . 1 1 21 21 SER N N 19 116.428 116.428 115.840 0.588 18511
7425 1 18 . 1 1 21 21 SER HA H 19 4.280 4.280 4.421 -0.141 18511
7426 1 18 . 1 1 21 21 SER C C 19 174.348 174.348 175.154 -0.806 18511
7427 1 18 . 1 1 21 21 SER CA C 19 59.696 59.696 58.538 1.158 18511
7428 1 18 . 1 1 21 21 SER CB C 19 63.364 63.364 63.318 0.046 18511
7429 1 18 . 1 1 21 21 SER H H 19 9.513 9.513 8.751 0.762 18511
7430 1 18 . 1 1 22 22 GLY N N 20 107.975 107.975 110.464 -2.489 18511
7431 1 18 . 1 1 22 22 GLY C C 20 171.306 171.306 173.012 -1.706 18511
7432 1 18 . 1 1 22 22 GLY CA C 20 44.193 44.193 43.587 0.606 18511
7433 1 18 . 1 1 22 22 GLY H H 20 7.532 7.532 7.862 -0.330 18511
7434 1 18 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.521 -0.158 18511
7435 1 18 . 1 1 23 23 PRO C C 21 177.141 177.141 177.282 -0.141 18511
7436 1 18 . 1 1 23 23 PRO CA C 21 63.096 63.096 62.317 0.779 18511
7437 1 18 . 1 1 23 23 PRO CB C 21 32.105 32.105 32.910 -0.805 18511
7438 1 18 . 1 1 24 24 GLY N N 22 107.827 107.827 106.883 0.944 18511
7439 1 18 . 1 1 24 24 GLY C C 22 173.270 173.270 174.150 -0.880 18511
7440 1 18 . 1 1 24 24 GLY CA C 22 45.013 45.013 44.628 0.385 18511
7441 1 18 . 1 1 24 24 GLY H H 22 8.264 8.264 8.588 -0.324 18511
7442 1 18 . 1 1 25 25 GLY N N 23 108.700 108.700 110.965 -2.265 18511
7443 1 18 . 1 1 25 25 GLY C C 23 170.292 170.292 172.161 -1.869 18511
7444 1 18 . 1 1 25 25 GLY CA C 23 43.573 43.573 44.397 -0.824 18511
7445 1 18 . 1 1 25 25 GLY H H 23 7.797 7.797 7.740 0.057 18511
7446 1 18 . 1 1 26 26 PRO HA H 24 4.574 4.574 4.591 -0.017 18511
7447 1 18 . 1 1 26 26 PRO C C 24 175.331 175.331 175.954 -0.623 18511
7448 1 18 . 1 1 26 26 PRO CA C 24 62.105 62.105 62.550 -0.445 18511
7449 1 18 . 1 1 26 26 PRO CB C 24 34.842 34.842 31.958 2.884 18511
7450 1 18 . 1 1 27 27 VAL N N 25 121.565 121.565 123.286 -1.721 18511
7451 1 18 . 1 1 27 27 VAL HA H 25 4.662 4.662 4.096 0.566 18511
7452 1 18 . 1 1 27 27 VAL C C 25 175.742 175.742 176.171 -0.429 18511
7453 1 18 . 1 1 27 27 VAL CA C 25 61.384 61.384 62.034 -0.650 18511
7454 1 18 . 1 1 27 27 VAL CB C 25 32.971 32.971 32.001 0.970 18511
7455 1 18 . 1 1 27 27 VAL H H 25 8.579 8.579 8.138 0.441 18511
7456 1 18 . 1 1 28 28 ARG N N 26 127.876 127.876 126.605 1.271 18511
7457 1 18 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.512 0.070 18511
7458 1 18 . 1 1 28 28 ARG C C 26 173.144 173.144 174.935 -1.791 18511
7459 1 18 . 1 1 28 28 ARG CA C 26 54.861 54.861 54.936 -0.075 18511
7460 1 18 . 1 1 28 28 ARG CB C 26 34.589 34.589 32.447 2.142 18511
7461 1 18 . 1 1 28 28 ARG H H 26 8.856 8.856 8.697 0.159 18511
7462 1 18 . 1 1 29 29 TRP N N 27 121.571 121.571 121.097 0.474 18511
7463 1 18 . 1 1 29 29 TRP HA H 27 5.986 5.986 5.163 0.823 18511
7464 1 18 . 1 1 29 29 TRP C C 27 175.932 175.932 175.972 -0.040 18511
7465 1 18 . 1 1 29 29 TRP CA C 27 55.504 55.504 56.236 -0.732 18511
7466 1 18 . 1 1 29 29 TRP CB C 27 32.584 32.584 31.724 0.860 18511
7467 1 18 . 1 1 29 29 TRP H H 27 8.858 8.858 8.599 0.259 18511
7468 1 18 . 1 1 30 30 TYR N N 28 118.451 118.451 122.076 -3.625 18511
7469 1 18 . 1 1 30 30 TYR HA H 28 5.332 5.332 4.727 0.605 18511
7470 1 18 . 1 1 30 30 TYR C C 28 175.108 175.108 174.610 0.498 18511
7471 1 18 . 1 1 30 30 TYR CA C 28 55.924 55.924 56.857 -0.933 18511
7472 1 18 . 1 1 30 30 TYR CB C 28 43.194 43.194 42.737 0.457 18511
7473 1 18 . 1 1 30 30 TYR H H 28 9.605 9.605 9.030 0.575 18511
7474 1 18 . 1 1 31 31 LYS N N 29 120.638 120.638 120.402 0.236 18511
7475 1 18 . 1 1 31 31 LYS HA H 29 4.790 4.790 4.658 0.132 18511
7476 1 18 . 1 1 31 31 LYS C C 29 176.565 176.565 176.214 0.351 18511
7477 1 18 . 1 1 31 31 LYS CA C 29 54.496 54.496 55.271 -0.775 18511
7478 1 18 . 1 1 31 31 LYS CB C 29 35.345 35.345 35.103 0.242 18511
7479 1 18 . 1 1 31 31 LYS H H 29 9.055 9.055 8.674 0.381 18511
7480 1 18 . 1 1 32 32 ASP N N 30 131.009 131.009 128.599 2.410 18511
7481 1 18 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.263 0.183 18511
7482 1 18 . 1 1 32 32 ASP C C 30 176.344 176.344 176.404 -0.060 18511
7483 1 18 . 1 1 32 32 ASP CA C 30 55.846 55.846 55.542 0.304 18511
7484 1 18 . 1 1 32 32 ASP CB C 30 40.289 40.289 40.481 -0.192 18511
7485 1 18 . 1 1 32 32 ASP H H 30 10.006 10.006 8.892 1.114 18511
7486 1 18 . 1 1 33 33 GLY N N 31 102.658 102.658 103.880 -1.222 18511
7487 1 18 . 1 1 33 33 GLY C C 31 173.809 173.809 173.703 0.106 18511
7488 1 18 . 1 1 33 33 GLY CA C 31 45.127 45.127 45.088 0.039 18511
7489 1 18 . 1 1 33 33 GLY H H 31 8.903 8.903 8.763 0.140 18511
7490 1 18 . 1 1 34 34 GLU N N 32 121.796 121.796 121.514 0.282 18511
7491 1 18 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.744 -0.002 18511
7492 1 18 . 1 1 34 34 GLU C C 32 175.789 175.789 175.587 0.202 18511
7493 1 18 . 1 1 34 34 GLU CA C 32 54.496 54.496 54.465 0.031 18511
7494 1 18 . 1 1 34 34 GLU CB C 32 31.161 31.161 31.632 -0.471 18511
7495 1 18 . 1 1 34 34 GLU H H 32 8.152 8.152 7.951 0.201 18511
7496 1 18 . 1 1 35 35 ARG N N 33 126.589 126.589 126.102 0.487 18511
7497 1 18 . 1 1 35 35 ARG HA H 33 3.927 3.927 4.087 -0.160 18511
7498 1 18 . 1 1 35 35 ARG C C 33 176.296 176.296 175.299 0.997 18511
7499 1 18 . 1 1 35 35 ARG CA C 33 56.344 56.344 56.220 0.124 18511
7500 1 18 . 1 1 35 35 ARG CB C 33 29.803 29.803 29.785 0.018 18511
7501 1 18 . 1 1 35 35 ARG H H 33 8.928 8.928 8.664 0.264 18511
7502 1 18 . 1 1 36 36 LEU N N 34 127.490 127.490 123.559 3.931 18511
7503 1 18 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.448 0.149 18511
7504 1 18 . 1 1 36 36 LEU C C 34 175.361 175.361 176.254 -0.893 18511
7505 1 18 . 1 1 36 36 LEU CA C 34 53.656 53.656 54.419 -0.763 18511
7506 1 18 . 1 1 36 36 LEU CB C 34 44.501 44.501 42.864 1.637 18511
7507 1 18 . 1 1 36 36 LEU H H 34 8.668 8.668 7.946 0.722 18511
7508 1 18 . 1 1 37 37 ALA N N 35 124.016 124.016 122.998 1.018 18511
7509 1 18 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.589 -0.040 18511
7510 1 18 . 1 1 37 37 ALA C C 35 175.757 175.757 176.174 -0.417 18511
7511 1 18 . 1 1 37 37 ALA CA C 35 50.039 50.039 50.500 -0.461 18511
7512 1 18 . 1 1 37 37 ALA CB C 35 21.822 21.822 20.947 0.875 18511
7513 1 18 . 1 1 37 37 ALA H H 35 8.177 8.177 7.913 0.264 18511
7514 1 18 . 1 1 38 38 SER N N 36 114.574 114.574 116.377 -1.803 18511
7515 1 18 . 1 1 38 38 SER HA H 36 4.440 4.440 4.469 -0.029 18511
7516 1 18 . 1 1 38 38 SER C C 36 174.005 174.005 174.260 -0.255 18511
7517 1 18 . 1 1 38 38 SER CA C 36 57.610 57.610 58.277 -0.667 18511
7518 1 18 . 1 1 38 38 SER CB C 36 62.056 62.056 62.927 -0.871 18511
7519 1 18 . 1 1 38 38 SER H H 36 8.444 8.444 8.454 -0.010 18511
7520 1 18 . 1 1 39 39 GLN N N 37 126.057 126.057 126.134 -0.077 18511
7521 1 18 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.540 -0.088 18511
7522 1 18 . 1 1 39 39 GLN C C 37 175.599 175.599 177.347 -1.748 18511
7523 1 18 . 1 1 39 39 GLN CA C 37 55.433 55.433 54.480 0.953 18511
7524 1 18 . 1 1 39 39 GLN CB C 37 29.970 29.970 30.993 -1.023 18511
7525 1 18 . 1 1 39 39 GLN H H 37 8.477 8.477 8.182 0.295 18511
7526 1 18 . 1 1 41 41 ARG HA H 39 4.228 4.228 4.642 -0.414 18511
7527 1 18 . 1 1 41 41 ARG C C 39 174.776 174.776 174.816 -0.040 18511
7528 1 18 . 1 1 41 41 ARG CA C 39 57.143 57.143 55.882 1.261 18511
7529 1 18 . 1 1 41 41 ARG CB C 39 30.504 30.504 31.539 -1.035 18511
7530 1 18 . 1 1 42 42 VAL N N 40 119.931 119.931 122.130 -2.199 18511
7531 1 18 . 1 1 42 42 VAL HA H 40 4.602 4.602 4.459 0.143 18511
7532 1 18 . 1 1 42 42 VAL C C 40 174.854 174.854 174.133 0.721 18511
7533 1 18 . 1 1 42 42 VAL CA C 40 61.663 61.663 60.683 0.980 18511
7534 1 18 . 1 1 42 42 VAL CB C 40 32.800 32.800 31.860 0.940 18511
7535 1 18 . 1 1 42 42 VAL H H 40 7.662 7.662 7.618 0.044 18511
7536 1 18 . 1 1 43 43 GLN N N 41 125.689 125.689 126.040 -0.351 18511
7537 1 18 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.516 0.015 18511
7538 1 18 . 1 1 43 43 GLN C C 41 173.952 173.952 174.543 -0.591 18511
7539 1 18 . 1 1 43 43 GLN CA C 41 53.656 53.656 54.850 -1.194 18511
7540 1 18 . 1 1 43 43 GLN CB C 41 31.817 31.817 29.034 2.784 18511
7541 1 18 . 1 1 43 43 GLN H H 41 8.937 8.937 8.506 0.431 18511
7542 1 18 . 1 1 44 44 LEU N N 42 123.562 123.562 126.687 -3.125 18511
7543 1 18 . 1 1 44 44 LEU HA H 42 4.984 4.984 4.799 0.185 18511
7544 1 18 . 1 1 44 44 LEU C C 42 176.565 176.565 176.813 -0.248 18511
7545 1 18 . 1 1 44 44 LEU CA C 42 52.931 52.931 53.672 -0.742 18511
7546 1 18 . 1 1 44 44 LEU CB C 42 42.474 42.474 43.288 -0.814 18511
7547 1 18 . 1 1 44 44 LEU H H 42 8.231 8.231 8.559 -0.328 18511
7548 1 18 . 1 1 45 45 GLU N N 43 124.016 124.016 123.418 0.598 18511
7549 1 18 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.611 0.045 18511
7550 1 18 . 1 1 45 45 GLU C C 43 175.346 175.346 174.856 0.490 18511
7551 1 18 . 1 1 45 45 GLU CA C 43 54.723 54.723 54.976 -0.253 18511
7552 1 18 . 1 1 45 45 GLU CB C 43 32.841 32.841 33.073 -0.232 18511
7553 1 18 . 1 1 45 45 GLU H H 43 9.309 9.309 8.212 1.097 18511
7554 1 18 . 1 1 46 46 GLN N N 44 125.220 125.220 126.770 -1.550 18511
7555 1 18 . 1 1 46 46 GLN HA H 44 4.928 4.928 4.713 0.215 18511
7556 1 18 . 1 1 46 46 GLN C C 44 174.332 174.332 174.508 -0.176 18511
7557 1 18 . 1 1 46 46 GLN CA C 44 54.832 54.832 55.634 -0.802 18511
7558 1 18 . 1 1 46 46 GLN CB C 44 30.726 30.726 29.313 1.413 18511
7559 1 18 . 1 1 46 46 GLN H H 44 8.825 8.825 8.905 -0.080 18511
7560 1 18 . 1 1 47 47 ALA N N 45 129.999 129.999 129.457 0.542 18511
7561 1 18 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.868 -0.196 18511
7562 1 18 . 1 1 47 47 ALA C C 45 177.056 177.056 176.895 0.161 18511
7563 1 18 . 1 1 47 47 ALA CA C 45 50.716 50.716 52.033 -1.317 18511
7564 1 18 . 1 1 47 47 ALA CB C 45 18.798 18.798 21.006 -2.208 18511
7565 1 18 . 1 1 47 47 ALA H H 45 8.636 8.636 9.310 -0.674 18511
7566 1 18 . 1 1 48 48 GLY CA C 46 46.885 46.885 45.460 1.425 18511
7567 1 18 . 1 1 49 49 ALA HA H 47 4.183 4.183 4.095 0.088 18511
7568 1 18 . 1 1 49 49 ALA C C 47 176.586 176.586 176.675 -0.089 18511
7569 1 18 . 1 1 49 49 ALA CA C 47 53.068 53.068 53.600 -0.532 18511
7570 1 18 . 1 1 49 49 ALA CB C 47 18.714 18.714 19.332 -0.618 18511
7571 1 18 . 1 1 50 50 ARG N N 48 119.282 119.282 118.419 0.863 18511
7572 1 18 . 1 1 50 50 ARG HA H 48 4.635 4.635 5.167 -0.532 18511
7573 1 18 . 1 1 50 50 ARG C C 48 174.348 174.348 175.154 -0.806 18511
7574 1 18 . 1 1 50 50 ARG CA C 48 55.672 55.672 54.580 1.093 18511
7575 1 18 . 1 1 50 50 ARG CB C 48 31.413 31.413 31.568 -0.155 18511
7576 1 18 . 1 1 50 50 ARG H H 48 7.725 7.725 7.977 -0.252 18511
7577 1 18 . 1 1 51 51 GLN N N 49 125.499 125.499 126.223 -0.724 18511
7578 1 18 . 1 1 51 51 GLN HA H 49 4.961 4.961 4.767 0.194 18511
7579 1 18 . 1 1 51 51 GLN C C 49 174.427 174.427 174.449 -0.022 18511
7580 1 18 . 1 1 51 51 GLN CA C 49 53.404 53.404 54.478 -1.074 18511
7581 1 18 . 1 1 51 51 GLN CB C 49 30.133 30.133 31.834 -1.701 18511
7582 1 18 . 1 1 51 51 GLN H H 49 9.086 9.086 8.245 0.841 18511
7583 1 18 . 1 1 52 52 VAL N N 50 121.957 121.957 124.294 -2.337 18511
7584 1 18 . 1 1 52 52 VAL HA H 50 5.185 5.185 5.233 -0.048 18511
7585 1 18 . 1 1 52 52 VAL C C 50 173.714 173.714 174.078 -0.364 18511
7586 1 18 . 1 1 52 52 VAL CA C 50 60.314 60.314 60.635 -0.321 18511
7587 1 18 . 1 1 52 52 VAL CB C 50 36.154 36.154 34.138 2.016 18511
7588 1 18 . 1 1 52 52 VAL H H 50 8.687 8.687 8.376 0.311 18511
7589 1 18 . 1 1 53 53 LEU N N 51 129.580 129.580 129.204 0.376 18511
7590 1 18 . 1 1 53 53 LEU HA H 51 4.389 4.389 4.722 -0.333 18511
7591 1 18 . 1 1 53 53 LEU C C 51 174.427 174.427 174.309 0.118 18511
7592 1 18 . 1 1 53 53 LEU CA C 51 53.536 53.536 52.407 1.129 18511
7593 1 18 . 1 1 53 53 LEU CB C 51 42.056 42.056 42.954 -0.898 18511
7594 1 18 . 1 1 53 53 LEU H H 51 8.380 8.380 7.700 0.680 18511
7595 1 18 . 1 1 54 54 ARG N N 52 125.706 125.706 127.507 -1.801 18511
7596 1 18 . 1 1 54 54 ARG HA H 52 5.255 5.255 5.181 0.074 18511
7597 1 18 . 1 1 54 54 ARG C C 52 174.981 174.981 175.641 -0.660 18511
7598 1 18 . 1 1 54 54 ARG CA C 52 53.992 53.992 53.826 0.166 18511
7599 1 18 . 1 1 54 54 ARG CB C 52 33.497 33.497 31.775 1.722 18511
7600 1 18 . 1 1 54 54 ARG H H 52 8.956 8.956 8.687 0.269 18511
7601 1 18 . 1 1 55 55 VAL N N 53 123.212 123.212 126.920 -3.708 18511
7602 1 18 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.419 0.200 18511
7603 1 18 . 1 1 55 55 VAL C C 53 175.124 175.124 175.159 -0.035 18511
7604 1 18 . 1 1 55 55 VAL CA C 53 61.092 61.092 61.633 -0.541 18511
7605 1 18 . 1 1 55 55 VAL CB C 53 34.527 34.527 31.319 3.208 18511
7606 1 18 . 1 1 55 55 VAL H H 53 8.511 8.511 8.546 -0.035 18511
7607 1 18 . 1 1 56 56 GLN N N 54 126.653 126.653 129.710 -3.057 18511
7608 1 18 . 1 1 56 56 GLN HA H 54 4.518 4.518 4.110 0.408 18511
7609 1 18 . 1 1 56 56 GLN C C 54 176.296 176.296 176.037 0.259 18511
7610 1 18 . 1 1 56 56 GLN CA C 54 55.022 55.022 56.508 -1.486 18511
7611 1 18 . 1 1 56 56 GLN CB C 54 29.749 29.749 28.485 1.264 18511
7612 1 18 . 1 1 56 56 GLN H H 54 8.509 8.509 8.126 0.383 18511
7613 1 18 . 1 1 57 57 GLY N N 55 114.559 114.559 113.868 0.691 18511
7614 1 18 . 1 1 57 57 GLY C C 55 174.585 174.585 173.522 1.063 18511
7615 1 18 . 1 1 57 57 GLY CA C 55 47.319 47.319 44.719 2.600 18511
7616 1 18 . 1 1 57 57 GLY H H 55 8.420 8.420 8.216 0.204 18511
7617 1 18 . 1 1 58 58 ALA N N 56 122.793 122.793 122.697 0.096 18511
7618 1 18 . 1 1 58 58 ALA HA H 56 4.088 4.088 4.398 -0.310 18511
7619 1 18 . 1 1 58 58 ALA C C 56 177.120 177.120 175.498 1.622 18511
7620 1 18 . 1 1 58 58 ALA CA C 56 53.051 53.051 52.526 0.525 18511
7621 1 18 . 1 1 58 58 ALA CB C 56 18.051 18.051 18.901 -0.850 18511
7622 1 18 . 1 1 58 58 ALA H H 56 8.977 8.977 8.032 0.945 18511
7623 1 18 . 1 1 59 59 ARG N N 57 122.118 122.118 124.961 -2.843 18511
7624 1 18 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.364 0.387 18511
7625 1 18 . 1 1 59 59 ARG C C 57 177.231 177.231 177.302 -0.071 18511
7626 1 18 . 1 1 59 59 ARG CA C 57 53.236 53.236 57.185 -3.949 18511
7627 1 18 . 1 1 59 59 ARG CB C 57 33.526 33.526 31.315 2.211 18511
7628 1 18 . 1 1 59 59 ARG H H 57 9.709 9.709 8.921 0.788 18511
7629 1 18 . 1 1 61 61 GLY C C 59 174.202 174.202 173.772 0.430 18511
7630 1 18 . 1 1 61 61 GLY CA C 59 45.899 45.899 45.042 0.857 18511
7631 1 18 . 1 1 62 62 ASP N N 60 116.489 116.489 119.947 -3.458 18511
7632 1 18 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.653 0.018 18511
7633 1 18 . 1 1 62 62 ASP C C 60 176.692 176.692 175.531 1.161 18511
7634 1 18 . 1 1 62 62 ASP CA C 60 54.854 54.854 55.033 -0.179 18511
7635 1 18 . 1 1 62 62 ASP CB C 60 41.130 41.130 41.000 0.130 18511
7636 1 18 . 1 1 62 62 ASP H H 60 8.300 8.300 8.457 -0.157 18511
7637 1 18 . 1 1 63 63 ALA N N 61 122.793 122.793 120.486 2.307 18511
7638 1 18 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.507 -0.402 18511
7639 1 18 . 1 1 63 63 ALA C C 61 176.581 176.581 176.995 -0.414 18511
7640 1 18 . 1 1 63 63 ALA CA C 61 52.732 52.732 51.958 0.774 18511
7641 1 18 . 1 1 63 63 ALA CB C 61 19.806 19.806 20.368 -0.562 18511
7642 1 18 . 1 1 63 63 ALA H H 61 7.551 7.551 7.669 -0.118 18511
7643 1 18 . 1 1 64 64 GLY N N 62 108.029 108.029 108.638 -0.609 18511
7644 1 18 . 1 1 64 64 GLY C C 62 171.274 171.274 172.404 -1.130 18511
7645 1 18 . 1 1 64 64 GLY CA C 62 44.826 44.826 44.758 0.068 18511
7646 1 18 . 1 1 64 64 GLY H H 62 8.720 8.720 8.184 0.536 18511
7647 1 18 . 1 1 65 65 GLU N N 63 122.343 122.343 122.326 0.017 18511
7648 1 18 . 1 1 65 65 GLU HA H 63 5.134 5.134 5.394 -0.260 18511
7649 1 18 . 1 1 65 65 GLU C C 63 175.900 175.900 175.888 0.012 18511
7650 1 18 . 1 1 65 65 GLU CA C 63 55.309 55.309 55.198 0.111 18511
7651 1 18 . 1 1 65 65 GLU CB C 63 31.183 31.183 30.559 0.624 18511
7652 1 18 . 1 1 65 65 GLU H H 63 9.038 9.038 8.524 0.514 18511
7653 1 18 . 1 1 66 66 TYR N N 64 128.776 128.776 123.670 5.106 18511
7654 1 18 . 1 1 66 66 TYR HA H 64 5.769 5.769 5.002 0.767 18511
7655 1 18 . 1 1 66 66 TYR C C 64 174.157 174.157 174.904 -0.747 18511
7656 1 18 . 1 1 66 66 TYR CA C 64 56.596 56.596 57.340 -0.744 18511
7657 1 18 . 1 1 66 66 TYR CB C 64 40.857 40.857 41.273 -0.416 18511
7658 1 18 . 1 1 66 66 TYR H H 64 9.984 9.984 8.508 1.476 18511
7659 1 18 . 1 1 67 67 LEU N N 65 125.560 125.560 122.701 2.859 18511
7660 1 18 . 1 1 67 67 LEU HA H 65 5.360 5.360 5.337 0.023 18511
7661 1 18 . 1 1 67 67 LEU C C 65 174.617 174.617 175.726 -1.109 18511
7662 1 18 . 1 1 67 67 LEU CA C 65 53.294 53.294 53.907 -0.613 18511
7663 1 18 . 1 1 67 67 LEU CB C 65 46.296 46.296 44.762 1.534 18511
7664 1 18 . 1 1 67 67 LEU H H 65 9.385 9.385 8.600 0.785 18511
7665 1 18 . 1 1 68 68 CYS N N 66 127.135 127.135 128.343 -1.208 18511
7666 1 18 . 1 1 68 68 CYS HA H 66 3.994 3.994 4.244 -0.250 18511
7667 1 18 . 1 1 68 68 CYS C C 66 172.383 172.383 174.041 -1.658 18511
7668 1 18 . 1 1 68 68 CYS CA C 66 57.828 57.828 57.618 0.210 18511
7669 1 18 . 1 1 68 68 CYS CB C 66 26.535 26.535 25.825 0.710 18511
7670 1 18 . 1 1 68 68 CYS H H 66 9.102 9.102 8.781 0.321 18511
7671 1 18 . 1 1 69 69 ASP N N 67 129.420 129.420 129.307 0.113 18511
7672 1 18 . 1 1 69 69 ASP HA H 67 4.953 4.953 4.718 0.235 18511
7673 1 18 . 1 1 69 69 ASP C C 67 173.128 173.128 174.296 -1.168 18511
7674 1 18 . 1 1 69 69 ASP CA C 67 53.459 53.459 53.191 0.268 18511
7675 1 18 . 1 1 69 69 ASP CB C 67 44.249 44.249 42.176 2.073 18511
7676 1 18 . 1 1 69 69 ASP H H 67 9.296 9.296 8.520 0.776 18511
7677 1 18 . 1 1 70 70 ALA N N 68 129.162 129.162 129.669 -0.507 18511
7678 1 18 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.784 0.270 18511
7679 1 18 . 1 1 70 70 ALA C C 68 175.108 175.108 176.192 -1.084 18511
7680 1 18 . 1 1 70 70 ALA CA C 68 49.404 49.404 48.895 0.509 18511
7681 1 18 . 1 1 70 70 ALA CB C 68 21.402 21.402 18.822 2.580 18511
7682 1 18 . 1 1 70 70 ALA H H 68 8.179 8.179 8.071 0.108 18511
7683 1 18 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.182 -0.017 18511
7684 1 18 . 1 1 71 71 PRO C C 69 177.840 177.840 177.269 0.571 18511
7685 1 18 . 1 1 71 71 PRO CA C 69 65.906 65.906 64.601 1.305 18511
7686 1 18 . 1 1 71 71 PRO CB C 69 31.744 31.744 31.897 -0.153 18511
7687 1 18 . 1 1 72 72 GLN N N 70 113.851 113.851 114.189 -0.338 18511
7688 1 18 . 1 1 72 72 GLN HA H 70 4.363 4.363 4.336 0.027 18511
7689 1 18 . 1 1 72 72 GLN C C 70 174.744 174.744 175.561 -0.817 18511
7690 1 18 . 1 1 72 72 GLN CA C 70 55.239 55.239 56.297 -1.058 18511
7691 1 18 . 1 1 72 72 GLN CB C 70 29.355 29.355 29.636 -0.281 18511
7692 1 18 . 1 1 72 72 GLN H H 70 9.053 9.053 8.289 0.764 18511
7693 1 18 . 1 1 73 73 ASP N N 71 118.081 118.081 118.644 -0.563 18511
7694 1 18 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.707 0.117 18511
7695 1 18 . 1 1 73 73 ASP C C 71 173.017 173.017 174.545 -1.528 18511
7696 1 18 . 1 1 73 73 ASP CA C 71 53.992 53.992 53.728 0.264 18511
7697 1 18 . 1 1 73 73 ASP CB C 71 44.449 44.449 42.560 1.889 18511
7698 1 18 . 1 1 73 73 ASP H H 71 7.336 7.336 7.405 -0.069 18511
7699 1 18 . 1 1 74 74 SER N N 72 114.356 114.356 119.323 -4.967 18511
7700 1 18 . 1 1 74 74 SER HA H 72 5.209 5.209 4.708 0.501 18511
7701 1 18 . 1 1 74 74 SER C C 72 174.189 174.189 173.888 0.301 18511
7702 1 18 . 1 1 74 74 SER CA C 72 57.604 57.604 57.723 -0.119 18511
7703 1 18 . 1 1 74 74 SER CB C 72 64.697 64.697 64.341 0.356 18511
7704 1 18 . 1 1 74 74 SER H H 72 8.161 8.161 8.510 -0.349 18511
7705 1 18 . 1 1 75 75 ARG N N 73 122.793 122.793 124.413 -1.620 18511
7706 1 18 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.692 0.004 18511
7707 1 18 . 1 1 75 75 ARG C C 73 173.460 173.460 174.516 -1.056 18511
7708 1 18 . 1 1 75 75 ARG CA C 73 53.404 53.404 55.065 -1.661 18511
7709 1 18 . 1 1 75 75 ARG CB C 73 33.600 33.600 32.758 0.842 18511
7710 1 18 . 1 1 75 75 ARG H H 73 8.592 8.592 8.228 0.364 18511
7711 1 18 . 1 1 76 76 ILE N N 74 122.343 122.343 125.133 -2.790 18511
7712 1 18 . 1 1 76 76 ILE HA H 74 5.154 5.154 5.034 0.120 18511
7713 1 18 . 1 1 76 76 ILE C C 74 175.266 175.266 175.089 0.177 18511
7714 1 18 . 1 1 76 76 ILE CA C 74 59.620 59.620 60.330 -0.710 18511
7715 1 18 . 1 1 76 76 ILE CB C 74 40.889 40.889 39.581 1.308 18511
7716 1 18 . 1 1 76 76 ILE H H 74 8.262 8.262 8.624 -0.362 18511
7717 1 18 . 1 1 77 77 PHE N N 75 126.428 126.428 123.557 2.871 18511
7718 1 18 . 1 1 77 77 PHE HA H 75 5.524 5.524 5.257 0.267 18511
7719 1 18 . 1 1 77 77 PHE C C 75 174.680 174.680 175.127 -0.447 18511
7720 1 18 . 1 1 77 77 PHE CA C 75 55.570 55.570 56.178 -0.609 18511
7721 1 18 . 1 1 77 77 PHE CB C 75 42.186 42.186 42.523 -0.337 18511
7722 1 18 . 1 1 77 77 PHE H H 75 9.932 9.932 9.154 0.778 18511
7723 1 18 . 1 1 78 78 LEU N N 76 126.068 126.068 124.585 1.483 18511
7724 1 18 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.846 0.278 18511
7725 1 18 . 1 1 78 78 LEU C C 76 176.138 176.138 175.965 0.173 18511
7726 1 18 . 1 1 78 78 LEU CA C 76 53.799 53.799 54.068 -0.269 18511
7727 1 18 . 1 1 78 78 LEU CB C 76 41.851 41.851 42.261 -0.410 18511
7728 1 18 . 1 1 78 78 LEU H H 76 9.091 9.091 8.694 0.397 18511
7729 1 18 . 1 1 79 79 VAL N N 77 129.130 129.130 125.899 3.231 18511
7730 1 18 . 1 1 79 79 VAL HA H 77 5.109 5.109 5.125 -0.016 18511
7731 1 18 . 1 1 79 79 VAL C C 77 176.597 176.597 175.808 0.789 18511
7732 1 18 . 1 1 79 79 VAL CA C 77 61.384 61.384 61.226 0.158 18511
7733 1 18 . 1 1 79 79 VAL CB C 77 33.846 33.846 34.231 -0.385 18511
7734 1 18 . 1 1 79 79 VAL H H 77 9.408 9.408 8.508 0.900 18511
7735 1 18 . 1 1 80 80 SER N N 78 124.016 124.016 122.448 1.568 18511
7736 1 18 . 1 1 80 80 SER HA H 78 4.908 4.908 4.887 0.021 18511
7737 1 18 . 1 1 80 80 SER C C 78 172.431 172.431 173.110 -0.679 18511
7738 1 18 . 1 1 80 80 SER CA C 78 56.344 56.344 57.386 -1.042 18511
7739 1 18 . 1 1 80 80 SER CB C 78 65.164 65.164 64.172 0.992 18511
7740 1 18 . 1 1 80 80 SER H H 78 9.125 9.125 8.659 0.466 18511
7741 1 18 . 1 1 81 81 VAL N N 79 124.402 124.402 127.049 -2.647 18511
7742 1 18 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.687 -0.152 18511
7743 1 18 . 1 1 81 81 VAL C C 79 174.744 174.744 175.939 -1.195 18511
7744 1 18 . 1 1 81 81 VAL CA C 79 61.028 61.028 61.668 -0.640 18511
7745 1 18 . 1 1 81 81 VAL CB C 79 32.741 32.741 31.011 1.730 18511
7746 1 18 . 1 1 81 81 VAL H H 79 8.638 8.638 8.820 -0.182 18511
7747 1 18 . 1 1 82 82 GLU N N 80 124.145 124.145 123.173 0.972 18511
7748 1 18 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.385 0.176 18511
7749 1 18 . 1 1 82 82 GLU C C 80 174.839 174.839 176.163 -1.324 18511
7750 1 18 . 1 1 82 82 GLU CA C 80 54.664 54.664 56.395 -1.731 18511
7751 1 18 . 1 1 82 82 GLU CB C 80 32.237 32.237 30.478 1.759 18511
7752 1 18 . 1 1 82 82 GLU H H 80 8.281 8.281 8.314 -0.033 18511
7753 1 18 . 1 1 83 83 GLU N N 81 123.244 123.244 122.980 0.264 18511
7754 1 18 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.651 -0.212 18511
7755 1 18 . 1 1 83 83 GLU C C 81 173.841 173.841 174.597 -0.756 18511
7756 1 18 . 1 1 83 83 GLU CA C 81 54.611 54.611 54.529 0.082 18511
7757 1 18 . 1 1 83 83 GLU CB C 81 29.046 29.046 29.451 -0.405 18511
7758 1 18 . 1 1 83 83 GLU H H 81 8.656 8.656 8.243 0.413 18511
7759 1 19 . 1 1 4 4 THR N N 2 121.282 121.282 119.960 1.322 18511
7760 1 19 . 1 1 4 4 THR HA H 2 4.463 4.463 4.120 0.343 18511
7761 1 19 . 1 1 4 4 THR C C 2 173.255 173.255 174.061 -0.806 18511
7762 1 19 . 1 1 4 4 THR CA C 2 62.056 62.056 62.264 -0.208 18511
7763 1 19 . 1 1 4 4 THR CB C 2 70.955 70.955 66.744 4.211 18511
7764 1 19 . 1 1 4 4 THR H H 2 8.319 8.319 8.384 -0.065 18511
7765 1 19 . 1 1 5 5 ARG N N 3 127.535 127.535 126.204 1.331 18511
7766 1 19 . 1 1 5 5 ARG HA H 3 5.083 5.083 4.548 0.535 18511
7767 1 19 . 1 1 5 5 ARG C C 3 175.694 175.694 175.681 0.013 18511
7768 1 19 . 1 1 5 5 ARG CA C 3 55.236 55.236 56.302 -1.066 18511
7769 1 19 . 1 1 5 5 ARG CB C 3 30.776 30.776 31.224 -0.448 18511
7770 1 19 . 1 1 5 5 ARG H H 3 8.958 8.958 7.897 1.061 18511
7771 1 19 . 1 1 6 6 VAL N N 4 125.495 125.495 124.087 1.408 18511
7772 1 19 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.341 -0.009 18511
7773 1 19 . 1 1 6 6 VAL C C 4 173.365 173.365 174.439 -1.074 18511
7774 1 19 . 1 1 6 6 VAL CA C 4 61.473 61.473 60.609 0.864 18511
7775 1 19 . 1 1 6 6 VAL CB C 4 35.854 35.854 35.149 0.705 18511
7776 1 19 . 1 1 6 6 VAL H H 4 8.812 8.812 8.381 0.431 18511
7777 1 19 . 1 1 7 7 ARG N N 5 127.554 127.554 128.750 -1.196 18511
7778 1 19 . 1 1 7 7 ARG HA H 5 5.175 5.175 4.585 0.590 18511
7779 1 19 . 1 1 7 7 ARG C C 5 175.694 175.694 175.411 0.283 18511
7780 1 19 . 1 1 7 7 ARG CA C 5 54.373 54.373 56.042 -1.669 18511
7781 1 19 . 1 1 7 7 ARG CB C 5 31.679 31.679 31.220 0.459 18511
7782 1 19 . 1 1 7 7 ARG H H 5 8.712 8.712 8.714 -0.002 18511
7783 1 19 . 1 1 8 8 SER N N 6 120.281 120.281 120.130 0.151 18511
7784 1 19 . 1 1 8 8 SER HA H 6 4.762 4.762 4.826 -0.064 18511
7785 1 19 . 1 1 8 8 SER C C 6 173.555 173.555 172.871 0.684 18511
7786 1 19 . 1 1 8 8 SER CA C 6 56.428 56.428 57.094 -0.666 18511
7787 1 19 . 1 1 8 8 SER CB C 6 65.450 65.450 65.979 -0.529 18511
7788 1 19 . 1 1 8 8 SER H H 6 8.669 8.669 8.845 -0.176 18511
7789 1 19 . 1 1 9 9 THR N N 7 117.885 117.885 114.157 3.728 18511
7790 1 19 . 1 1 9 9 THR HA H 7 4.847 4.847 5.466 -0.619 18511
7791 1 19 . 1 1 9 9 THR C C 7 172.748 172.748 173.611 -0.863 18511
7792 1 19 . 1 1 9 9 THR CA C 7 59.436 59.436 58.181 1.255 18511
7793 1 19 . 1 1 9 9 THR CB C 7 69.938 69.938 69.420 0.518 18511
7794 1 19 . 1 1 9 9 THR H H 7 8.362 8.362 8.265 0.097 18511
7795 1 19 . 1 1 10 10 PRO HA H 8 4.060 4.060 4.362 -0.302 18511
7796 1 19 . 1 1 10 10 PRO C C 8 177.966 177.966 176.380 1.586 18511
7797 1 19 . 1 1 10 10 PRO CA C 8 63.484 63.484 62.729 0.755 18511
7798 1 19 . 1 1 10 10 PRO CB C 8 30.986 30.986 29.976 1.010 18511
7799 1 19 . 1 1 11 11 GLY N N 9 114.800 114.800 110.932 3.868 18511
7800 1 19 . 1 1 11 11 GLY C C 9 174.870 174.870 173.227 1.643 18511
7801 1 19 . 1 1 11 11 GLY CA C 9 45.147 45.147 45.313 -0.166 18511
7802 1 19 . 1 1 11 11 GLY H H 9 9.824 9.824 8.283 1.541 18511
7803 1 19 . 1 1 12 12 GLY N N 10 109.721 109.721 108.913 0.808 18511
7804 1 19 . 1 1 12 12 GLY C C 10 171.924 171.924 171.963 -0.039 18511
7805 1 19 . 1 1 12 12 GLY CA C 10 43.913 43.913 45.153 -1.240 18511
7806 1 19 . 1 1 12 12 GLY H H 10 8.172 8.172 7.764 0.408 18511
7807 1 19 . 1 1 13 13 ASP N N 11 119.275 119.275 119.903 -0.628 18511
7808 1 19 . 1 1 13 13 ASP HA H 11 5.316 5.316 4.746 0.570 18511
7809 1 19 . 1 1 13 13 ASP C C 11 176.185 176.185 175.416 0.769 18511
7810 1 19 . 1 1 13 13 ASP CA C 11 53.404 53.404 53.211 0.193 18511
7811 1 19 . 1 1 13 13 ASP CB C 11 41.309 41.309 41.390 -0.081 18511
7812 1 19 . 1 1 13 13 ASP H H 11 8.442 8.442 8.138 0.304 18511
7813 1 19 . 1 1 14 14 LEU N N 12 125.431 125.431 123.463 1.968 18511
7814 1 19 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.378 0.048 18511
7815 1 19 . 1 1 14 14 LEU C C 12 174.934 174.934 175.408 -0.474 18511
7816 1 19 . 1 1 14 14 LEU CA C 12 53.697 53.697 54.942 -1.245 18511
7817 1 19 . 1 1 14 14 LEU CB C 12 44.170 44.170 43.712 0.458 18511
7818 1 19 . 1 1 14 14 LEU H H 12 8.889 8.889 8.375 0.514 18511
7819 1 19 . 1 1 15 15 GLU N N 13 126.203 126.203 126.875 -0.672 18511
7820 1 19 . 1 1 15 15 GLU HA H 13 4.901 4.901 4.740 0.161 18511
7821 1 19 . 1 1 15 15 GLU C C 13 173.555 173.555 175.176 -1.621 18511
7822 1 19 . 1 1 15 15 GLU CA C 13 55.168 55.168 54.840 0.327 18511
7823 1 19 . 1 1 15 15 GLU CB C 13 32.489 32.489 31.683 0.806 18511
7824 1 19 . 1 1 15 15 GLU H H 13 8.469 8.469 8.423 0.046 18511
7825 1 19 . 1 1 16 16 LEU N N 14 127.480 127.480 129.589 -2.109 18511
7826 1 19 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.537 -0.315 18511
7827 1 19 . 1 1 16 16 LEU C C 14 174.221 174.221 175.572 -1.351 18511
7828 1 19 . 1 1 16 16 LEU CA C 14 52.900 52.900 54.105 -1.204 18511
7829 1 19 . 1 1 16 16 LEU CB C 14 40.861 40.861 41.836 -0.975 18511
7830 1 19 . 1 1 16 16 LEU H H 14 9.082 9.082 8.687 0.395 18511
7831 1 19 . 1 1 17 17 VAL N N 15 122.038 122.038 126.037 -3.999 18511
7832 1 19 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.540 0.221 18511
7833 1 19 . 1 1 17 17 VAL C C 15 175.330 175.330 176.150 -0.820 18511
7834 1 19 . 1 1 17 17 VAL CA C 15 61.468 61.468 61.844 -0.376 18511
7835 1 19 . 1 1 17 17 VAL CB C 15 33.749 33.749 32.015 1.734 18511
7836 1 19 . 1 1 17 17 VAL H H 15 8.105 8.105 8.534 -0.429 18511
7837 1 19 . 1 1 18 18 VAL N N 16 127.741 127.741 127.870 -0.129 18511
7838 1 19 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.661 -0.376 18511
7839 1 19 . 1 1 18 18 VAL C C 16 173.555 173.555 175.619 -2.064 18511
7840 1 19 . 1 1 18 18 VAL CA C 16 61.020 61.020 61.871 -0.851 18511
7841 1 19 . 1 1 18 18 VAL CB C 16 35.604 35.604 32.969 2.635 18511
7842 1 19 . 1 1 18 18 VAL H H 16 9.335 9.335 8.803 0.532 18511
7843 1 19 . 1 1 19 19 HIS N N 17 126.695 126.695 124.673 2.022 18511
7844 1 19 . 1 1 19 19 HIS HA H 17 5.023 5.023 4.660 0.363 18511
7845 1 19 . 1 1 19 19 HIS C C 17 175.710 175.710 174.557 1.153 18511
7846 1 19 . 1 1 19 19 HIS CA C 17 55.225 55.225 55.504 -0.279 18511
7847 1 19 . 1 1 19 19 HIS CB C 17 30.418 30.418 29.512 0.906 18511
7848 1 19 . 1 1 19 19 HIS H H 17 8.710 8.710 8.918 -0.208 18511
7849 1 19 . 1 1 20 20 LEU N N 18 124.981 124.981 122.370 2.611 18511
7850 1 19 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.194 0.117 18511
7851 1 19 . 1 1 20 20 LEU C C 18 177.357 177.357 177.994 -0.637 18511
7852 1 19 . 1 1 20 20 LEU CA C 18 54.162 54.162 55.118 -0.956 18511
7853 1 19 . 1 1 20 20 LEU CB C 18 43.005 43.005 42.731 0.274 18511
7854 1 19 . 1 1 20 20 LEU H H 18 8.941 8.941 7.597 1.344 18511
7855 1 19 . 1 1 21 21 SER N N 19 116.428 116.428 118.972 -2.544 18511
7856 1 19 . 1 1 21 21 SER HA H 19 4.280 4.280 4.479 -0.199 18511
7857 1 19 . 1 1 21 21 SER C C 19 174.348 174.348 174.626 -0.278 18511
7858 1 19 . 1 1 21 21 SER CA C 19 59.696 59.696 58.269 1.427 18511
7859 1 19 . 1 1 21 21 SER CB C 19 63.364 63.364 62.686 0.678 18511
7860 1 19 . 1 1 21 21 SER H H 19 9.513 9.513 8.651 0.862 18511
7861 1 19 . 1 1 22 22 GLY N N 20 107.975 107.975 114.371 -6.396 18511
7862 1 19 . 1 1 22 22 GLY C C 20 171.306 171.306 173.282 -1.976 18511
7863 1 19 . 1 1 22 22 GLY CA C 20 44.193 44.193 43.031 1.163 18511
7864 1 19 . 1 1 22 22 GLY H H 20 7.532 7.532 7.969 -0.437 18511
7865 1 19 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.325 0.038 18511
7866 1 19 . 1 1 23 23 PRO C C 21 177.141 177.141 176.989 0.152 18511
7867 1 19 . 1 1 23 23 PRO CA C 21 63.096 63.096 63.978 -0.882 18511
7868 1 19 . 1 1 23 23 PRO CB C 21 32.105 32.105 32.179 -0.074 18511
7869 1 19 . 1 1 24 24 GLY N N 22 107.827 107.827 106.411 1.416 18511
7870 1 19 . 1 1 24 24 GLY C C 22 173.270 173.270 173.977 -0.707 18511
7871 1 19 . 1 1 24 24 GLY CA C 22 45.013 45.013 44.499 0.514 18511
7872 1 19 . 1 1 24 24 GLY H H 22 8.264 8.264 7.838 0.426 18511
7873 1 19 . 1 1 25 25 GLY N N 23 108.700 108.700 111.987 -3.287 18511
7874 1 19 . 1 1 25 25 GLY C C 23 170.292 170.292 173.590 -3.298 18511
7875 1 19 . 1 1 25 25 GLY CA C 23 43.573 43.573 44.965 -1.393 18511
7876 1 19 . 1 1 25 25 GLY H H 23 7.797 7.797 8.613 -0.816 18511
7877 1 19 . 1 1 26 26 PRO HA H 24 4.574 4.574 4.498 0.076 18511
7878 1 19 . 1 1 26 26 PRO C C 24 175.331 175.331 175.788 -0.457 18511
7879 1 19 . 1 1 26 26 PRO CA C 24 62.105 62.105 62.018 0.087 18511
7880 1 19 . 1 1 26 26 PRO CB C 24 34.842 34.842 32.995 1.847 18511
7881 1 19 . 1 1 27 27 VAL N N 25 121.565 121.565 119.693 1.872 18511
7882 1 19 . 1 1 27 27 VAL HA H 25 4.662 4.662 3.953 0.709 18511
7883 1 19 . 1 1 27 27 VAL C C 25 175.742 175.742 175.778 -0.036 18511
7884 1 19 . 1 1 27 27 VAL CA C 25 61.384 61.384 62.336 -0.952 18511
7885 1 19 . 1 1 27 27 VAL CB C 25 32.971 32.971 32.414 0.557 18511
7886 1 19 . 1 1 27 27 VAL H H 25 8.579 8.579 8.005 0.574 18511
7887 1 19 . 1 1 28 28 ARG N N 26 127.876 127.876 125.746 2.130 18511
7888 1 19 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.403 0.179 18511
7889 1 19 . 1 1 28 28 ARG C C 26 173.144 173.144 175.067 -1.923 18511
7890 1 19 . 1 1 28 28 ARG CA C 26 54.861 54.861 55.031 -0.170 18511
7891 1 19 . 1 1 28 28 ARG CB C 26 34.589 34.589 31.109 3.480 18511
7892 1 19 . 1 1 28 28 ARG H H 26 8.856 8.856 8.305 0.551 18511
7893 1 19 . 1 1 29 29 TRP N N 27 121.571 121.571 124.901 -3.330 18511
7894 1 19 . 1 1 29 29 TRP HA H 27 5.986 5.986 5.254 0.732 18511
7895 1 19 . 1 1 29 29 TRP C C 27 175.932 175.932 175.728 0.204 18511
7896 1 19 . 1 1 29 29 TRP CA C 27 55.504 55.504 55.691 -0.187 18511
7897 1 19 . 1 1 29 29 TRP CB C 27 32.584 32.584 31.418 1.166 18511
7898 1 19 . 1 1 29 29 TRP H H 27 8.858 8.858 8.531 0.327 18511
7899 1 19 . 1 1 30 30 TYR N N 28 118.451 118.451 122.006 -3.555 18511
7900 1 19 . 1 1 30 30 TYR HA H 28 5.332 5.332 5.057 0.275 18511
7901 1 19 . 1 1 30 30 TYR C C 28 175.108 175.108 174.714 0.394 18511
7902 1 19 . 1 1 30 30 TYR CA C 28 55.924 55.924 57.090 -1.166 18511
7903 1 19 . 1 1 30 30 TYR CB C 28 43.194 43.194 41.169 2.025 18511
7904 1 19 . 1 1 30 30 TYR H H 28 9.605 9.605 8.730 0.875 18511
7905 1 19 . 1 1 31 31 LYS N N 29 120.638 120.638 124.622 -3.984 18511
7906 1 19 . 1 1 31 31 LYS HA H 29 4.790 4.790 4.898 -0.108 18511
7907 1 19 . 1 1 31 31 LYS C C 29 176.565 176.565 176.980 -0.415 18511
7908 1 19 . 1 1 31 31 LYS CA C 29 54.496 54.496 53.761 0.735 18511
7909 1 19 . 1 1 31 31 LYS CB C 29 35.345 35.345 33.818 1.527 18511
7910 1 19 . 1 1 31 31 LYS H H 29 9.055 9.055 8.845 0.210 18511
7911 1 19 . 1 1 32 32 ASP N N 30 131.009 131.009 127.640 3.369 18511
7912 1 19 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.270 0.176 18511
7913 1 19 . 1 1 32 32 ASP C C 30 176.344 176.344 176.100 0.244 18511
7914 1 19 . 1 1 32 32 ASP CA C 30 55.846 55.846 55.538 0.308 18511
7915 1 19 . 1 1 32 32 ASP CB C 30 40.289 40.289 40.439 -0.150 18511
7916 1 19 . 1 1 32 32 ASP H H 30 10.006 10.006 8.618 1.388 18511
7917 1 19 . 1 1 33 33 GLY N N 31 102.658 102.658 104.021 -1.363 18511
7918 1 19 . 1 1 33 33 GLY C C 31 173.809 173.809 173.701 0.108 18511
7919 1 19 . 1 1 33 33 GLY CA C 31 45.127 45.127 44.962 0.165 18511
7920 1 19 . 1 1 33 33 GLY H H 31 8.903 8.903 8.646 0.257 18511
7921 1 19 . 1 1 34 34 GLU N N 32 121.796 121.796 122.033 -0.237 18511
7922 1 19 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.710 0.032 18511
7923 1 19 . 1 1 34 34 GLU C C 32 175.789 175.789 175.759 0.030 18511
7924 1 19 . 1 1 34 34 GLU CA C 32 54.496 54.496 54.751 -0.255 18511
7925 1 19 . 1 1 34 34 GLU CB C 32 31.161 31.161 31.472 -0.311 18511
7926 1 19 . 1 1 34 34 GLU H H 32 8.152 8.152 7.921 0.231 18511
7927 1 19 . 1 1 35 35 ARG N N 33 126.589 126.589 124.912 1.677 18511
7928 1 19 . 1 1 35 35 ARG HA H 33 3.927 3.927 4.437 -0.510 18511
7929 1 19 . 1 1 35 35 ARG C C 33 176.296 176.296 175.343 0.953 18511
7930 1 19 . 1 1 35 35 ARG CA C 33 56.344 56.344 56.097 0.247 18511
7931 1 19 . 1 1 35 35 ARG CB C 33 29.803 29.803 30.450 -0.647 18511
7932 1 19 . 1 1 35 35 ARG H H 33 8.928 8.928 8.720 0.208 18511
7933 1 19 . 1 1 36 36 LEU N N 34 127.490 127.490 122.398 5.092 18511
7934 1 19 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.512 0.085 18511
7935 1 19 . 1 1 36 36 LEU C C 34 175.361 175.361 176.227 -0.866 18511
7936 1 19 . 1 1 36 36 LEU CA C 34 53.656 53.656 53.595 0.061 18511
7937 1 19 . 1 1 36 36 LEU CB C 34 44.501 44.501 42.825 1.676 18511
7938 1 19 . 1 1 36 36 LEU H H 34 8.668 8.668 7.893 0.775 18511
7939 1 19 . 1 1 37 37 ALA N N 35 124.016 124.016 124.041 -0.025 18511
7940 1 19 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.655 -0.106 18511
7941 1 19 . 1 1 37 37 ALA C C 35 175.757 175.757 176.653 -0.896 18511
7942 1 19 . 1 1 37 37 ALA CA C 35 50.039 50.039 50.939 -0.900 18511
7943 1 19 . 1 1 37 37 ALA CB C 35 21.822 21.822 21.181 0.641 18511
7944 1 19 . 1 1 37 37 ALA H H 35 8.177 8.177 8.202 -0.025 18511
7945 1 19 . 1 1 38 38 SER N N 36 114.574 114.574 118.370 -3.796 18511
7946 1 19 . 1 1 38 38 SER HA H 36 4.440 4.440 4.591 -0.151 18511
7947 1 19 . 1 1 38 38 SER C C 36 174.005 174.005 174.464 -0.459 18511
7948 1 19 . 1 1 38 38 SER CA C 36 57.610 57.610 58.624 -1.014 18511
7949 1 19 . 1 1 38 38 SER CB C 36 62.056 62.056 62.571 -0.515 18511
7950 1 19 . 1 1 38 38 SER H H 36 8.444 8.444 8.650 -0.206 18511
7951 1 19 . 1 1 39 39 GLN N N 37 126.057 126.057 125.527 0.530 18511
7952 1 19 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.544 -0.092 18511
7953 1 19 . 1 1 39 39 GLN C C 37 175.599 175.599 176.712 -1.113 18511
7954 1 19 . 1 1 39 39 GLN CA C 37 55.433 55.433 54.055 1.378 18511
7955 1 19 . 1 1 39 39 GLN CB C 37 29.970 29.970 30.627 -0.657 18511
7956 1 19 . 1 1 39 39 GLN H H 37 8.477 8.477 8.176 0.301 18511
7957 1 19 . 1 1 41 41 ARG HA H 39 4.228 4.228 4.143 0.085 18511
7958 1 19 . 1 1 41 41 ARG C C 39 174.776 174.776 176.485 -1.709 18511
7959 1 19 . 1 1 41 41 ARG CA C 39 57.143 57.143 58.071 -0.928 18511
7960 1 19 . 1 1 41 41 ARG CB C 39 30.504 30.504 30.888 -0.384 18511
7961 1 19 . 1 1 42 42 VAL N N 40 119.931 119.931 119.635 0.296 18511
7962 1 19 . 1 1 42 42 VAL HA H 40 4.602 4.602 4.668 -0.066 18511
7963 1 19 . 1 1 42 42 VAL C C 40 174.854 174.854 174.671 0.183 18511
7964 1 19 . 1 1 42 42 VAL CA C 40 61.663 61.663 61.232 0.431 18511
7965 1 19 . 1 1 42 42 VAL CB C 40 32.800 32.800 30.912 1.888 18511
7966 1 19 . 1 1 42 42 VAL H H 40 7.662 7.662 8.041 -0.379 18511
7967 1 19 . 1 1 43 43 GLN N N 41 125.689 125.689 127.056 -1.367 18511
7968 1 19 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.622 -0.091 18511
7969 1 19 . 1 1 43 43 GLN C C 41 173.952 173.952 174.662 -0.710 18511
7970 1 19 . 1 1 43 43 GLN CA C 41 53.656 53.656 54.493 -0.837 18511
7971 1 19 . 1 1 43 43 GLN CB C 41 31.817 31.817 30.076 1.741 18511
7972 1 19 . 1 1 43 43 GLN H H 41 8.937 8.937 8.625 0.312 18511
7973 1 19 . 1 1 44 44 LEU N N 42 123.562 123.562 126.911 -3.349 18511
7974 1 19 . 1 1 44 44 LEU HA H 42 4.984 4.984 4.933 0.051 18511
7975 1 19 . 1 1 44 44 LEU C C 42 176.565 176.565 176.792 -0.227 18511
7976 1 19 . 1 1 44 44 LEU CA C 42 52.931 52.931 53.748 -0.817 18511
7977 1 19 . 1 1 44 44 LEU CB C 42 42.474 42.474 43.039 -0.565 18511
7978 1 19 . 1 1 44 44 LEU H H 42 8.231 8.231 8.628 -0.397 18511
7979 1 19 . 1 1 45 45 GLU N N 43 124.016 124.016 125.203 -1.187 18511
7980 1 19 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.542 0.114 18511
7981 1 19 . 1 1 45 45 GLU C C 43 175.346 175.346 174.592 0.754 18511
7982 1 19 . 1 1 45 45 GLU CA C 43 54.723 54.723 54.736 -0.013 18511
7983 1 19 . 1 1 45 45 GLU CB C 43 32.841 32.841 31.557 1.284 18511
7984 1 19 . 1 1 45 45 GLU H H 43 9.309 9.309 8.184 1.125 18511
7985 1 19 . 1 1 46 46 GLN N N 44 125.220 125.220 126.789 -1.569 18511
7986 1 19 . 1 1 46 46 GLN HA H 44 4.928 4.928 4.320 0.608 18511
7987 1 19 . 1 1 46 46 GLN C C 44 174.332 174.332 174.635 -0.303 18511
7988 1 19 . 1 1 46 46 GLN CA C 44 54.832 54.832 55.970 -1.138 18511
7989 1 19 . 1 1 46 46 GLN CB C 44 30.726 30.726 29.297 1.429 18511
7990 1 19 . 1 1 46 46 GLN H H 44 8.825 8.825 8.729 0.096 18511
7991 1 19 . 1 1 47 47 ALA N N 45 129.999 129.999 129.526 0.473 18511
7992 1 19 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.640 0.032 18511
7993 1 19 . 1 1 47 47 ALA C C 45 177.056 177.056 175.947 1.109 18511
7994 1 19 . 1 1 47 47 ALA CA C 45 50.716 50.716 51.116 -0.400 18511
7995 1 19 . 1 1 47 47 ALA CB C 45 18.798 18.798 22.573 -3.775 18511
7996 1 19 . 1 1 47 47 ALA H H 45 8.636 8.636 8.297 0.339 18511
7997 1 19 . 1 1 48 48 GLY CA C 46 46.885 46.885 45.226 1.659 18511
7998 1 19 . 1 1 49 49 ALA HA H 47 4.183 4.183 3.960 0.223 18511
7999 1 19 . 1 1 49 49 ALA C C 47 176.586 176.586 176.635 -0.049 18511
8000 1 19 . 1 1 49 49 ALA CA C 47 53.068 53.068 53.765 -0.697 18511
8001 1 19 . 1 1 49 49 ALA CB C 47 18.714 18.714 17.653 1.061 18511
8002 1 19 . 1 1 50 50 ARG N N 48 119.282 119.282 124.343 -5.061 18511
8003 1 19 . 1 1 50 50 ARG HA H 48 4.635 4.635 4.453 0.182 18511
8004 1 19 . 1 1 50 50 ARG C C 48 174.348 174.348 175.324 -0.976 18511
8005 1 19 . 1 1 50 50 ARG CA C 48 55.672 55.672 55.888 -0.216 18511
8006 1 19 . 1 1 50 50 ARG CB C 48 31.413 31.413 30.381 1.032 18511
8007 1 19 . 1 1 50 50 ARG H H 48 7.725 7.725 7.715 0.010 18511
8008 1 19 . 1 1 51 51 GLN N N 49 125.499 125.499 126.152 -0.653 18511
8009 1 19 . 1 1 51 51 GLN HA H 49 4.961 4.961 4.727 0.234 18511
8010 1 19 . 1 1 51 51 GLN C C 49 174.427 174.427 174.585 -0.158 18511
8011 1 19 . 1 1 51 51 GLN CA C 49 53.404 53.404 53.879 -0.475 18511
8012 1 19 . 1 1 51 51 GLN CB C 49 30.133 30.133 31.675 -1.542 18511
8013 1 19 . 1 1 51 51 GLN H H 49 9.086 9.086 8.023 1.063 18511
8014 1 19 . 1 1 52 52 VAL N N 50 121.957 121.957 123.769 -1.812 18511
8015 1 19 . 1 1 52 52 VAL HA H 50 5.185 5.185 5.106 0.079 18511
8016 1 19 . 1 1 52 52 VAL C C 50 173.714 173.714 174.373 -0.659 18511
8017 1 19 . 1 1 52 52 VAL CA C 50 60.314 60.314 60.419 -0.105 18511
8018 1 19 . 1 1 52 52 VAL CB C 50 36.154 36.154 33.927 2.227 18511
8019 1 19 . 1 1 52 52 VAL H H 50 8.687 8.687 8.326 0.361 18511
8020 1 19 . 1 1 53 53 LEU N N 51 129.580 129.580 129.603 -0.023 18511
8021 1 19 . 1 1 53 53 LEU HA H 51 4.389 4.389 4.340 0.049 18511
8022 1 19 . 1 1 53 53 LEU C C 51 174.427 174.427 174.154 0.273 18511
8023 1 19 . 1 1 53 53 LEU CA C 51 53.536 53.536 52.951 0.585 18511
8024 1 19 . 1 1 53 53 LEU CB C 51 42.056 42.056 42.402 -0.346 18511
8025 1 19 . 1 1 53 53 LEU H H 51 8.380 8.380 8.005 0.375 18511
8026 1 19 . 1 1 54 54 ARG N N 52 125.706 125.706 127.727 -2.021 18511
8027 1 19 . 1 1 54 54 ARG HA H 52 5.255 5.255 5.013 0.242 18511
8028 1 19 . 1 1 54 54 ARG C C 52 174.981 174.981 174.888 0.093 18511
8029 1 19 . 1 1 54 54 ARG CA C 52 53.992 53.992 54.229 -0.237 18511
8030 1 19 . 1 1 54 54 ARG CB C 52 33.497 33.497 31.618 1.879 18511
8031 1 19 . 1 1 54 54 ARG H H 52 8.956 8.956 8.379 0.577 18511
8032 1 19 . 1 1 55 55 VAL N N 53 123.212 123.212 125.838 -2.626 18511
8033 1 19 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.229 0.390 18511
8034 1 19 . 1 1 55 55 VAL C C 53 175.124 175.124 174.956 0.168 18511
8035 1 19 . 1 1 55 55 VAL CA C 53 61.092 61.092 61.702 -0.610 18511
8036 1 19 . 1 1 55 55 VAL CB C 53 34.527 34.527 31.630 2.897 18511
8037 1 19 . 1 1 55 55 VAL H H 53 8.511 8.511 8.215 0.296 18511
8038 1 19 . 1 1 56 56 GLN N N 54 126.653 126.653 129.105 -2.452 18511
8039 1 19 . 1 1 56 56 GLN HA H 54 4.518 4.518 4.056 0.462 18511
8040 1 19 . 1 1 56 56 GLN C C 54 176.296 176.296 175.935 0.361 18511
8041 1 19 . 1 1 56 56 GLN CA C 54 55.022 55.022 56.521 -1.499 18511
8042 1 19 . 1 1 56 56 GLN CB C 54 29.749 29.749 28.368 1.381 18511
8043 1 19 . 1 1 56 56 GLN H H 54 8.509 8.509 8.296 0.213 18511
8044 1 19 . 1 1 57 57 GLY N N 55 114.559 114.559 113.008 1.551 18511
8045 1 19 . 1 1 57 57 GLY C C 55 174.585 174.585 173.085 1.500 18511
8046 1 19 . 1 1 57 57 GLY CA C 55 47.319 47.319 44.791 2.528 18511
8047 1 19 . 1 1 57 57 GLY H H 55 8.420 8.420 8.167 0.253 18511
8048 1 19 . 1 1 58 58 ALA N N 56 122.793 122.793 123.681 -0.888 18511
8049 1 19 . 1 1 58 58 ALA HA H 56 4.088 4.088 4.307 -0.219 18511
8050 1 19 . 1 1 58 58 ALA C C 56 177.120 177.120 175.481 1.639 18511
8051 1 19 . 1 1 58 58 ALA CA C 56 53.051 53.051 52.960 0.091 18511
8052 1 19 . 1 1 58 58 ALA CB C 56 18.051 18.051 18.348 -0.297 18511
8053 1 19 . 1 1 58 58 ALA H H 56 8.977 8.977 7.902 1.075 18511
8054 1 19 . 1 1 59 59 ARG N N 57 122.118 122.118 124.292 -2.174 18511
8055 1 19 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.433 0.318 18511
8056 1 19 . 1 1 59 59 ARG C C 57 177.231 177.231 175.646 1.585 18511
8057 1 19 . 1 1 59 59 ARG CA C 57 53.236 53.236 57.334 -4.098 18511
8058 1 19 . 1 1 59 59 ARG CB C 57 33.526 33.526 32.383 1.143 18511
8059 1 19 . 1 1 59 59 ARG H H 57 9.709 9.709 8.831 0.878 18511
8060 1 19 . 1 1 61 61 GLY C C 59 174.202 174.202 174.667 -0.465 18511
8061 1 19 . 1 1 61 61 GLY CA C 59 45.899 45.899 45.025 0.874 18511
8062 1 19 . 1 1 62 62 ASP N N 60 116.489 116.489 121.120 -4.631 18511
8063 1 19 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.646 0.025 18511
8064 1 19 . 1 1 62 62 ASP C C 60 176.692 176.692 175.731 0.961 18511
8065 1 19 . 1 1 62 62 ASP CA C 60 54.854 54.854 55.390 -0.536 18511
8066 1 19 . 1 1 62 62 ASP CB C 60 41.130 41.130 40.909 0.221 18511
8067 1 19 . 1 1 62 62 ASP H H 60 8.300 8.300 8.206 0.094 18511
8068 1 19 . 1 1 63 63 ALA N N 61 122.793 122.793 122.673 0.120 18511
8069 1 19 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.585 -0.480 18511
8070 1 19 . 1 1 63 63 ALA C C 61 176.581 176.581 176.610 -0.029 18511
8071 1 19 . 1 1 63 63 ALA CA C 61 52.732 52.732 52.989 -0.257 18511
8072 1 19 . 1 1 63 63 ALA CB C 61 19.806 19.806 18.616 1.190 18511
8073 1 19 . 1 1 63 63 ALA H H 61 7.551 7.551 7.214 0.337 18511
8074 1 19 . 1 1 64 64 GLY N N 62 108.029 108.029 111.658 -3.629 18511
8075 1 19 . 1 1 64 64 GLY C C 62 171.274 171.274 172.575 -1.301 18511
8076 1 19 . 1 1 64 64 GLY CA C 62 44.826 44.826 44.987 -0.161 18511
8077 1 19 . 1 1 64 64 GLY H H 62 8.720 8.720 7.731 0.989 18511
8078 1 19 . 1 1 65 65 GLU N N 63 122.343 122.343 120.921 1.422 18511
8079 1 19 . 1 1 65 65 GLU HA H 63 5.134 5.134 5.107 0.027 18511
8080 1 19 . 1 1 65 65 GLU C C 63 175.900 175.900 175.811 0.089 18511
8081 1 19 . 1 1 65 65 GLU CA C 63 55.309 55.309 56.081 -0.773 18511
8082 1 19 . 1 1 65 65 GLU CB C 63 31.183 31.183 29.506 1.677 18511
8083 1 19 . 1 1 65 65 GLU H H 63 9.038 9.038 8.624 0.414 18511
8084 1 19 . 1 1 66 66 TYR N N 64 128.776 128.776 124.822 3.954 18511
8085 1 19 . 1 1 66 66 TYR HA H 64 5.769 5.769 5.207 0.562 18511
8086 1 19 . 1 1 66 66 TYR C C 64 174.157 174.157 175.805 -1.648 18511
8087 1 19 . 1 1 66 66 TYR CA C 64 56.596 56.596 57.061 -0.465 18511
8088 1 19 . 1 1 66 66 TYR CB C 64 40.857 40.857 39.560 1.297 18511
8089 1 19 . 1 1 66 66 TYR H H 64 9.984 9.984 9.001 0.983 18511
8090 1 19 . 1 1 67 67 LEU N N 65 125.560 125.560 126.414 -0.854 18511
8091 1 19 . 1 1 67 67 LEU HA H 65 5.360 5.360 4.776 0.584 18511
8092 1 19 . 1 1 67 67 LEU C C 65 174.617 174.617 176.235 -1.618 18511
8093 1 19 . 1 1 67 67 LEU CA C 65 53.294 53.294 54.036 -0.742 18511
8094 1 19 . 1 1 67 67 LEU CB C 65 46.296 46.296 42.828 3.468 18511
8095 1 19 . 1 1 67 67 LEU H H 65 9.385 9.385 9.042 0.343 18511
8096 1 19 . 1 1 68 68 CYS N N 66 127.135 127.135 128.513 -1.378 18511
8097 1 19 . 1 1 68 68 CYS HA H 66 3.994 3.994 3.820 0.174 18511
8098 1 19 . 1 1 68 68 CYS C C 66 172.383 172.383 175.312 -2.929 18511
8099 1 19 . 1 1 68 68 CYS CA C 66 57.828 57.828 59.357 -1.529 18511
8100 1 19 . 1 1 68 68 CYS CB C 66 26.535 26.535 25.605 0.930 18511
8101 1 19 . 1 1 68 68 CYS H H 66 9.102 9.102 9.005 0.097 18511
8102 1 19 . 1 1 69 69 ASP N N 67 129.420 129.420 127.841 1.579 18511
8103 1 19 . 1 1 69 69 ASP HA H 67 4.953 4.953 4.298 0.655 18511
8104 1 19 . 1 1 69 69 ASP C C 67 173.128 173.128 175.417 -2.289 18511
8105 1 19 . 1 1 69 69 ASP CA C 67 53.459 53.459 56.373 -2.914 18511
8106 1 19 . 1 1 69 69 ASP CB C 67 44.249 44.249 41.600 2.649 18511
8107 1 19 . 1 1 69 69 ASP H H 67 9.296 9.296 8.470 0.826 18511
8108 1 19 . 1 1 70 70 ALA N N 68 129.162 129.162 120.003 9.159 18511
8109 1 19 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.115 0.939 18511
8110 1 19 . 1 1 70 70 ALA C C 68 175.108 175.108 176.161 -1.053 18511
8111 1 19 . 1 1 70 70 ALA CA C 68 49.404 49.404 52.050 -2.646 18511
8112 1 19 . 1 1 70 70 ALA CB C 68 21.402 21.402 18.099 3.303 18511
8113 1 19 . 1 1 70 70 ALA H H 68 8.179 8.179 8.084 0.095 18511
8114 1 19 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.475 -0.310 18511
8115 1 19 . 1 1 71 71 PRO C C 69 177.840 177.840 175.898 1.942 18511
8116 1 19 . 1 1 71 71 PRO CA C 69 65.906 65.906 63.461 2.445 18511
8117 1 19 . 1 1 71 71 PRO CB C 69 31.744 31.744 30.441 1.303 18511
8118 1 19 . 1 1 72 72 GLN N N 70 113.851 113.851 119.228 -5.377 18511
8119 1 19 . 1 1 72 72 GLN HA H 70 4.363 4.363 4.347 0.016 18511
8120 1 19 . 1 1 72 72 GLN C C 70 174.744 174.744 174.546 0.198 18511
8121 1 19 . 1 1 72 72 GLN CA C 70 55.239 55.239 56.789 -1.550 18511
8122 1 19 . 1 1 72 72 GLN CB C 70 29.355 29.355 30.340 -0.985 18511
8123 1 19 . 1 1 72 72 GLN H H 70 9.053 9.053 7.855 1.198 18511
8124 1 19 . 1 1 73 73 ASP N N 71 118.081 118.081 118.939 -0.858 18511
8125 1 19 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.706 0.118 18511
8126 1 19 . 1 1 73 73 ASP C C 71 173.017 173.017 174.555 -1.538 18511
8127 1 19 . 1 1 73 73 ASP CA C 71 53.992 53.992 53.715 0.277 18511
8128 1 19 . 1 1 73 73 ASP CB C 71 44.449 44.449 42.378 2.071 18511
8129 1 19 . 1 1 73 73 ASP H H 71 7.336 7.336 7.970 -0.634 18511
8130 1 19 . 1 1 74 74 SER N N 72 114.356 114.356 117.807 -3.451 18511
8131 1 19 . 1 1 74 74 SER HA H 72 5.209 5.209 4.858 0.351 18511
8132 1 19 . 1 1 74 74 SER C C 72 174.189 174.189 174.662 -0.473 18511
8133 1 19 . 1 1 74 74 SER CA C 72 57.604 57.604 58.144 -0.540 18511
8134 1 19 . 1 1 74 74 SER CB C 72 64.697 64.697 63.787 0.910 18511
8135 1 19 . 1 1 74 74 SER H H 72 8.161 8.161 8.273 -0.112 18511
8136 1 19 . 1 1 75 75 ARG N N 73 122.793 122.793 124.208 -1.415 18511
8137 1 19 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.725 -0.029 18511
8138 1 19 . 1 1 75 75 ARG C C 73 173.460 173.460 174.647 -1.187 18511
8139 1 19 . 1 1 75 75 ARG CA C 73 53.404 53.404 54.071 -0.667 18511
8140 1 19 . 1 1 75 75 ARG CB C 73 33.600 33.600 32.990 0.610 18511
8141 1 19 . 1 1 75 75 ARG H H 73 8.592 8.592 8.546 0.046 18511
8142 1 19 . 1 1 76 76 ILE N N 74 122.343 122.343 123.214 -0.871 18511
8143 1 19 . 1 1 76 76 ILE HA H 74 5.154 5.154 4.479 0.675 18511
8144 1 19 . 1 1 76 76 ILE C C 74 175.266 175.266 175.148 0.118 18511
8145 1 19 . 1 1 76 76 ILE CA C 74 59.620 59.620 61.108 -1.488 18511
8146 1 19 . 1 1 76 76 ILE CB C 74 40.889 40.889 39.301 1.588 18511
8147 1 19 . 1 1 76 76 ILE H H 74 8.262 8.262 8.706 -0.444 18511
8148 1 19 . 1 1 77 77 PHE N N 75 126.428 126.428 125.449 0.979 18511
8149 1 19 . 1 1 77 77 PHE HA H 75 5.524 5.524 5.176 0.348 18511
8150 1 19 . 1 1 77 77 PHE C C 75 174.680 174.680 175.447 -0.767 18511
8151 1 19 . 1 1 77 77 PHE CA C 75 55.570 55.570 56.562 -0.992 18511
8152 1 19 . 1 1 77 77 PHE CB C 75 42.186 42.186 40.164 2.022 18511
8153 1 19 . 1 1 77 77 PHE H H 75 9.932 9.932 8.908 1.024 18511
8154 1 19 . 1 1 78 78 LEU N N 76 126.068 126.068 127.252 -1.184 18511
8155 1 19 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.509 0.615 18511
8156 1 19 . 1 1 78 78 LEU C C 76 176.138 176.138 176.117 0.021 18511
8157 1 19 . 1 1 78 78 LEU CA C 76 53.799 53.799 54.473 -0.674 18511
8158 1 19 . 1 1 78 78 LEU CB C 76 41.851 41.851 41.241 0.610 18511
8159 1 19 . 1 1 78 78 LEU H H 76 9.091 9.091 8.884 0.207 18511
8160 1 19 . 1 1 79 79 VAL N N 77 129.130 129.130 127.240 1.890 18511
8161 1 19 . 1 1 79 79 VAL HA H 77 5.109 5.109 4.509 0.600 18511
8162 1 19 . 1 1 79 79 VAL C C 77 176.597 176.597 175.962 0.635 18511
8163 1 19 . 1 1 79 79 VAL CA C 77 61.384 61.384 62.591 -1.207 18511
8164 1 19 . 1 1 79 79 VAL CB C 77 33.846 33.846 32.674 1.172 18511
8165 1 19 . 1 1 79 79 VAL H H 77 9.408 9.408 8.131 1.277 18511
8166 1 19 . 1 1 80 80 SER N N 78 124.016 124.016 125.871 -1.855 18511
8167 1 19 . 1 1 80 80 SER HA H 78 4.908 4.908 4.783 0.125 18511
8168 1 19 . 1 1 80 80 SER C C 78 172.431 172.431 172.929 -0.498 18511
8169 1 19 . 1 1 80 80 SER CA C 78 56.344 56.344 57.148 -0.804 18511
8170 1 19 . 1 1 80 80 SER CB C 78 65.164 65.164 63.650 1.514 18511
8171 1 19 . 1 1 80 80 SER H H 78 9.125 9.125 9.058 0.067 18511
8172 1 19 . 1 1 81 81 VAL N N 79 124.402 124.402 126.785 -2.383 18511
8173 1 19 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.286 0.249 18511
8174 1 19 . 1 1 81 81 VAL C C 79 174.744 174.744 175.916 -1.172 18511
8175 1 19 . 1 1 81 81 VAL CA C 79 61.028 61.028 61.873 -0.845 18511
8176 1 19 . 1 1 81 81 VAL CB C 79 32.741 32.741 30.538 2.203 18511
8177 1 19 . 1 1 81 81 VAL H H 79 8.638 8.638 8.809 -0.171 18511
8178 1 19 . 1 1 82 82 GLU N N 80 124.145 124.145 125.862 -1.717 18511
8179 1 19 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.618 -0.057 18511
8180 1 19 . 1 1 82 82 GLU C C 80 174.839 174.839 174.872 -0.033 18511
8181 1 19 . 1 1 82 82 GLU CA C 80 54.664 54.664 54.811 -0.147 18511
8182 1 19 . 1 1 82 82 GLU CB C 80 32.237 32.237 32.205 0.032 18511
8183 1 19 . 1 1 82 82 GLU H H 80 8.281 8.281 8.793 -0.512 18511
8184 1 19 . 1 1 83 83 GLU N N 81 123.244 123.244 119.061 4.183 18511
8185 1 19 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.102 0.337 18511
8186 1 19 . 1 1 83 83 GLU C C 81 173.841 173.841 174.357 -0.516 18511
8187 1 19 . 1 1 83 83 GLU CA C 81 54.611 54.611 55.756 -1.145 18511
8188 1 19 . 1 1 83 83 GLU CB C 81 29.046 29.046 29.081 -0.035 18511
8189 1 19 . 1 1 83 83 GLU H H 81 8.656 8.656 8.676 -0.020 18511
8190 1 20 . 1 1 4 4 THR N N 2 121.282 121.282 115.365 5.917 18511
8191 1 20 . 1 1 4 4 THR HA H 2 4.463 4.463 4.453 0.010 18511
8192 1 20 . 1 1 4 4 THR C C 2 173.255 173.255 173.514 -0.259 18511
8193 1 20 . 1 1 4 4 THR CA C 2 62.056 62.056 61.271 0.785 18511
8194 1 20 . 1 1 4 4 THR CB C 2 70.955 70.955 69.223 1.732 18511
8195 1 20 . 1 1 4 4 THR H H 2 8.319 8.319 8.355 -0.036 18511
8196 1 20 . 1 1 5 5 ARG N N 3 127.535 127.535 123.927 3.608 18511
8197 1 20 . 1 1 5 5 ARG HA H 3 5.083 5.083 5.025 0.058 18511
8198 1 20 . 1 1 5 5 ARG C C 3 175.694 175.694 175.119 0.575 18511
8199 1 20 . 1 1 5 5 ARG CA C 3 55.236 55.236 55.215 0.021 18511
8200 1 20 . 1 1 5 5 ARG CB C 3 30.776 30.776 32.475 -1.699 18511
8201 1 20 . 1 1 5 5 ARG H H 3 8.958 8.958 8.412 0.546 18511
8202 1 20 . 1 1 6 6 VAL N N 4 125.495 125.495 124.611 0.884 18511
8203 1 20 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.432 -0.100 18511
8204 1 20 . 1 1 6 6 VAL C C 4 173.365 173.365 174.738 -1.373 18511
8205 1 20 . 1 1 6 6 VAL CA C 4 61.473 61.473 60.377 1.096 18511
8206 1 20 . 1 1 6 6 VAL CB C 4 35.854 35.854 35.503 0.351 18511
8207 1 20 . 1 1 6 6 VAL H H 4 8.812 8.812 8.242 0.570 18511
8208 1 20 . 1 1 7 7 ARG N N 5 127.554 127.554 123.812 3.742 18511
8209 1 20 . 1 1 7 7 ARG HA H 5 5.175 5.175 4.981 0.194 18511
8210 1 20 . 1 1 7 7 ARG C C 5 175.694 175.694 175.513 0.181 18511
8211 1 20 . 1 1 7 7 ARG CA C 5 54.373 54.373 55.032 -0.659 18511
8212 1 20 . 1 1 7 7 ARG CB C 5 31.679 31.679 33.856 -2.177 18511
8213 1 20 . 1 1 7 7 ARG H H 5 8.712 8.712 8.563 0.149 18511
8214 1 20 . 1 1 8 8 SER N N 6 120.281 120.281 117.009 3.272 18511
8215 1 20 . 1 1 8 8 SER HA H 6 4.762 4.762 4.820 -0.058 18511
8216 1 20 . 1 1 8 8 SER C C 6 173.555 173.555 173.021 0.534 18511
8217 1 20 . 1 1 8 8 SER CA C 6 56.428 56.428 57.416 -0.988 18511
8218 1 20 . 1 1 8 8 SER CB C 6 65.450 65.450 66.911 -1.461 18511
8219 1 20 . 1 1 8 8 SER H H 6 8.669 8.669 8.331 0.338 18511
8220 1 20 . 1 1 9 9 THR N N 7 117.885 117.885 114.594 3.291 18511
8221 1 20 . 1 1 9 9 THR HA H 7 4.847 4.847 5.478 -0.631 18511
8222 1 20 . 1 1 9 9 THR C C 7 172.748 172.748 173.538 -0.790 18511
8223 1 20 . 1 1 9 9 THR CA C 7 59.436 59.436 58.478 0.958 18511
8224 1 20 . 1 1 9 9 THR CB C 7 69.938 69.938 69.570 0.368 18511
8225 1 20 . 1 1 9 9 THR H H 7 8.362 8.362 8.573 -0.211 18511
8226 1 20 . 1 1 10 10 PRO HA H 8 4.060 4.060 4.687 -0.627 18511
8227 1 20 . 1 1 10 10 PRO C C 8 177.966 177.966 177.831 0.135 18511
8228 1 20 . 1 1 10 10 PRO CA C 8 63.484 63.484 63.141 0.343 18511
8229 1 20 . 1 1 10 10 PRO CB C 8 30.986 30.986 31.433 -0.447 18511
8230 1 20 . 1 1 11 11 GLY N N 9 114.800 114.800 114.421 0.379 18511
8231 1 20 . 1 1 11 11 GLY C C 9 174.870 174.870 174.429 0.441 18511
8232 1 20 . 1 1 11 11 GLY CA C 9 45.147 45.147 44.807 0.340 18511
8233 1 20 . 1 1 11 11 GLY H H 9 9.824 9.824 8.616 1.208 18511
8234 1 20 . 1 1 12 12 GLY N N 10 109.721 109.721 110.436 -0.715 18511
8235 1 20 . 1 1 12 12 GLY C C 10 171.924 171.924 172.336 -0.412 18511
8236 1 20 . 1 1 12 12 GLY CA C 10 43.913 43.913 44.169 -0.256 18511
8237 1 20 . 1 1 12 12 GLY H H 10 8.172 8.172 7.686 0.486 18511
8238 1 20 . 1 1 13 13 ASP N N 11 119.275 119.275 118.711 0.564 18511
8239 1 20 . 1 1 13 13 ASP HA H 11 5.316 5.316 5.034 0.282 18511
8240 1 20 . 1 1 13 13 ASP C C 11 176.185 176.185 174.835 1.350 18511
8241 1 20 . 1 1 13 13 ASP CA C 11 53.404 53.404 52.576 0.828 18511
8242 1 20 . 1 1 13 13 ASP CB C 11 41.309 41.309 44.347 -3.038 18511
8243 1 20 . 1 1 13 13 ASP H H 11 8.442 8.442 7.827 0.615 18511
8244 1 20 . 1 1 14 14 LEU N N 12 125.431 125.431 120.869 4.562 18511
8245 1 20 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.661 -0.235 18511
8246 1 20 . 1 1 14 14 LEU C C 12 174.934 174.934 175.783 -0.849 18511
8247 1 20 . 1 1 14 14 LEU CA C 12 53.697 53.697 53.898 -0.201 18511
8248 1 20 . 1 1 14 14 LEU CB C 12 44.170 44.170 44.322 -0.152 18511
8249 1 20 . 1 1 14 14 LEU H H 12 8.889 8.889 8.228 0.661 18511
8250 1 20 . 1 1 15 15 GLU N N 13 126.203 126.203 124.475 1.728 18511
8251 1 20 . 1 1 15 15 GLU HA H 13 4.901 4.901 4.599 0.302 18511
8252 1 20 . 1 1 15 15 GLU C C 13 173.555 173.555 174.775 -1.220 18511
8253 1 20 . 1 1 15 15 GLU CA C 13 55.168 55.168 55.482 -0.314 18511
8254 1 20 . 1 1 15 15 GLU CB C 13 32.489 32.489 31.994 0.495 18511
8255 1 20 . 1 1 15 15 GLU H H 13 8.469 8.469 8.445 0.024 18511
8256 1 20 . 1 1 16 16 LEU N N 14 127.480 127.480 129.566 -2.086 18511
8257 1 20 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.646 -0.424 18511
8258 1 20 . 1 1 16 16 LEU C C 14 174.221 174.221 175.434 -1.213 18511
8259 1 20 . 1 1 16 16 LEU CA C 14 52.900 52.900 53.755 -0.855 18511
8260 1 20 . 1 1 16 16 LEU CB C 14 40.861 40.861 42.390 -1.529 18511
8261 1 20 . 1 1 16 16 LEU H H 14 9.082 9.082 8.645 0.438 18511
8262 1 20 . 1 1 17 17 VAL N N 15 122.038 122.038 125.614 -3.576 18511
8263 1 20 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.703 0.058 18511
8264 1 20 . 1 1 17 17 VAL C C 15 175.330 175.330 176.145 -0.815 18511
8265 1 20 . 1 1 17 17 VAL CA C 15 61.468 61.468 61.763 -0.295 18511
8266 1 20 . 1 1 17 17 VAL CB C 15 33.749 33.749 32.603 1.146 18511
8267 1 20 . 1 1 17 17 VAL H H 15 8.105 8.105 8.497 -0.392 18511
8268 1 20 . 1 1 18 18 VAL N N 16 127.741 127.741 127.271 0.470 18511
8269 1 20 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.665 -0.380 18511
8270 1 20 . 1 1 18 18 VAL C C 16 173.555 173.555 174.992 -1.437 18511
8271 1 20 . 1 1 18 18 VAL CA C 16 61.020 61.020 61.293 -0.273 18511
8272 1 20 . 1 1 18 18 VAL CB C 16 35.604 35.604 34.129 1.475 18511
8273 1 20 . 1 1 18 18 VAL H H 16 9.335 9.335 8.642 0.693 18511
8274 1 20 . 1 1 19 19 HIS N N 17 126.695 126.695 121.991 4.704 18511
8275 1 20 . 1 1 19 19 HIS HA H 17 5.023 5.023 5.250 -0.227 18511
8276 1 20 . 1 1 19 19 HIS C C 17 175.710 175.710 174.913 0.797 18511
8277 1 20 . 1 1 19 19 HIS CA C 17 55.225 55.225 54.722 0.503 18511
8278 1 20 . 1 1 19 19 HIS CB C 17 30.418 30.418 30.113 0.305 18511
8279 1 20 . 1 1 19 19 HIS H H 17 8.710 8.710 8.675 0.035 18511
8280 1 20 . 1 1 20 20 LEU N N 18 124.981 124.981 118.728 6.253 18511
8281 1 20 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.396 -0.085 18511
8282 1 20 . 1 1 20 20 LEU C C 18 177.357 177.357 177.399 -0.042 18511
8283 1 20 . 1 1 20 20 LEU CA C 18 54.162 54.162 55.134 -0.972 18511
8284 1 20 . 1 1 20 20 LEU CB C 18 43.005 43.005 41.931 1.074 18511
8285 1 20 . 1 1 20 20 LEU H H 18 8.941 8.941 7.758 1.183 18511
8286 1 20 . 1 1 21 21 SER N N 19 116.428 116.428 116.862 -0.434 18511
8287 1 20 . 1 1 21 21 SER HA H 19 4.280 4.280 4.480 -0.200 18511
8288 1 20 . 1 1 21 21 SER C C 19 174.348 174.348 174.667 -0.319 18511
8289 1 20 . 1 1 21 21 SER CA C 19 59.696 59.696 58.713 0.983 18511
8290 1 20 . 1 1 21 21 SER CB C 19 63.364 63.364 63.229 0.135 18511
8291 1 20 . 1 1 21 21 SER H H 19 9.513 9.513 8.838 0.675 18511
8292 1 20 . 1 1 22 22 GLY N N 20 107.975 107.975 111.115 -3.140 18511
8293 1 20 . 1 1 22 22 GLY C C 20 171.306 171.306 172.254 -0.948 18511
8294 1 20 . 1 1 22 22 GLY CA C 20 44.193 44.193 43.374 0.819 18511
8295 1 20 . 1 1 22 22 GLY H H 20 7.532 7.532 7.944 -0.412 18511
8296 1 20 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.263 0.100 18511
8297 1 20 . 1 1 23 23 PRO C C 21 177.141 177.141 176.150 0.991 18511
8298 1 20 . 1 1 23 23 PRO CA C 21 63.096 63.096 63.373 -0.277 18511
8299 1 20 . 1 1 23 23 PRO CB C 21 32.105 32.105 31.755 0.350 18511
8300 1 20 . 1 1 24 24 GLY N N 22 107.827 107.827 111.198 -3.371 18511
8301 1 20 . 1 1 24 24 GLY C C 22 173.270 173.270 172.075 1.195 18511
8302 1 20 . 1 1 24 24 GLY CA C 22 45.013 45.013 45.705 -0.691 18511
8303 1 20 . 1 1 24 24 GLY H H 22 8.264 8.264 7.777 0.487 18511
8304 1 20 . 1 1 25 25 GLY N N 23 108.700 108.700 109.331 -0.631 18511
8305 1 20 . 1 1 25 25 GLY C C 23 170.292 170.292 172.597 -2.305 18511
8306 1 20 . 1 1 25 25 GLY CA C 23 43.573 43.573 44.091 -0.518 18511
8307 1 20 . 1 1 25 25 GLY H H 23 7.797 7.797 7.998 -0.201 18511
8308 1 20 . 1 1 26 26 PRO HA H 24 4.574 4.574 4.598 -0.024 18511
8309 1 20 . 1 1 26 26 PRO C C 24 175.331 175.331 176.031 -0.700 18511
8310 1 20 . 1 1 26 26 PRO CA C 24 62.105 62.105 62.309 -0.204 18511
8311 1 20 . 1 1 26 26 PRO CB C 24 34.842 34.842 33.763 1.079 18511
8312 1 20 . 1 1 27 27 VAL N N 25 121.565 121.565 119.332 2.233 18511
8313 1 20 . 1 1 27 27 VAL HA H 25 4.662 4.662 4.007 0.655 18511
8314 1 20 . 1 1 27 27 VAL C C 25 175.742 175.742 176.440 -0.698 18511
8315 1 20 . 1 1 27 27 VAL CA C 25 61.384 61.384 61.907 -0.523 18511
8316 1 20 . 1 1 27 27 VAL CB C 25 32.971 32.971 32.840 0.131 18511
8317 1 20 . 1 1 27 27 VAL H H 25 8.579 8.579 8.276 0.303 18511
8318 1 20 . 1 1 28 28 ARG N N 26 127.876 127.876 124.268 3.608 18511
8319 1 20 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.463 0.119 18511
8320 1 20 . 1 1 28 28 ARG C C 26 173.144 173.144 175.063 -1.919 18511
8321 1 20 . 1 1 28 28 ARG CA C 26 54.861 54.861 55.258 -0.397 18511
8322 1 20 . 1 1 28 28 ARG CB C 26 34.589 34.589 32.179 2.410 18511
8323 1 20 . 1 1 28 28 ARG H H 26 8.856 8.856 8.237 0.619 18511
8324 1 20 . 1 1 29 29 TRP N N 27 121.571 121.571 119.957 1.614 18511
8325 1 20 . 1 1 29 29 TRP HA H 27 5.986 5.986 5.364 0.622 18511
8326 1 20 . 1 1 29 29 TRP C C 27 175.932 175.932 175.224 0.708 18511
8327 1 20 . 1 1 29 29 TRP CA C 27 55.504 55.504 55.876 -0.372 18511
8328 1 20 . 1 1 29 29 TRP CB C 27 32.584 32.584 32.745 -0.161 18511
8329 1 20 . 1 1 29 29 TRP H H 27 8.858 8.858 8.310 0.548 18511
8330 1 20 . 1 1 30 30 TYR N N 28 118.451 118.451 122.916 -4.465 18511
8331 1 20 . 1 1 30 30 TYR HA H 28 5.332 5.332 4.968 0.364 18511
8332 1 20 . 1 1 30 30 TYR C C 28 175.108 175.108 174.313 0.795 18511
8333 1 20 . 1 1 30 30 TYR CA C 28 55.924 55.924 57.073 -1.149 18511
8334 1 20 . 1 1 30 30 TYR CB C 28 43.194 43.194 41.752 1.442 18511
8335 1 20 . 1 1 30 30 TYR H H 28 9.605 9.605 8.902 0.703 18511
8336 1 20 . 1 1 31 31 LYS N N 29 120.638 120.638 122.698 -2.060 18511
8337 1 20 . 1 1 31 31 LYS HA H 29 4.790 4.790 4.701 0.089 18511
8338 1 20 . 1 1 31 31 LYS C C 29 176.565 176.565 177.082 -0.517 18511
8339 1 20 . 1 1 31 31 LYS CA C 29 54.496 54.496 53.928 0.568 18511
8340 1 20 . 1 1 31 31 LYS CB C 29 35.345 35.345 34.529 0.816 18511
8341 1 20 . 1 1 31 31 LYS H H 29 9.055 9.055 8.772 0.283 18511
8342 1 20 . 1 1 32 32 ASP N N 30 131.009 131.009 128.357 2.652 18511
8343 1 20 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.283 0.163 18511
8344 1 20 . 1 1 32 32 ASP C C 30 176.344 176.344 176.447 -0.103 18511
8345 1 20 . 1 1 32 32 ASP CA C 30 55.846 55.846 55.188 0.658 18511
8346 1 20 . 1 1 32 32 ASP CB C 30 40.289 40.289 40.137 0.152 18511
8347 1 20 . 1 1 32 32 ASP H H 30 10.006 10.006 8.618 1.388 18511
8348 1 20 . 1 1 33 33 GLY N N 31 102.658 102.658 104.052 -1.394 18511
8349 1 20 . 1 1 33 33 GLY C C 31 173.809 173.809 173.694 0.115 18511
8350 1 20 . 1 1 33 33 GLY CA C 31 45.127 45.127 45.251 -0.124 18511
8351 1 20 . 1 1 33 33 GLY H H 31 8.903 8.903 8.639 0.264 18511
8352 1 20 . 1 1 34 34 GLU N N 32 121.796 121.796 121.388 0.408 18511
8353 1 20 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.736 0.006 18511
8354 1 20 . 1 1 34 34 GLU C C 32 175.789 175.789 175.640 0.149 18511
8355 1 20 . 1 1 34 34 GLU CA C 32 54.496 54.496 54.492 0.004 18511
8356 1 20 . 1 1 34 34 GLU CB C 32 31.161 31.161 31.503 -0.342 18511
8357 1 20 . 1 1 34 34 GLU H H 32 8.152 8.152 7.821 0.331 18511
8358 1 20 . 1 1 35 35 ARG N N 33 126.589 126.589 125.634 0.955 18511
8359 1 20 . 1 1 35 35 ARG HA H 33 3.927 3.927 4.390 -0.463 18511
8360 1 20 . 1 1 35 35 ARG C C 33 176.296 176.296 175.672 0.624 18511
8361 1 20 . 1 1 35 35 ARG CA C 33 56.344 56.344 56.154 0.191 18511
8362 1 20 . 1 1 35 35 ARG CB C 33 29.803 29.803 30.293 -0.490 18511
8363 1 20 . 1 1 35 35 ARG H H 33 8.928 8.928 8.748 0.180 18511
8364 1 20 . 1 1 36 36 LEU N N 34 127.490 127.490 123.524 3.966 18511
8365 1 20 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.444 0.153 18511
8366 1 20 . 1 1 36 36 LEU C C 34 175.361 175.361 176.317 -0.956 18511
8367 1 20 . 1 1 36 36 LEU CA C 34 53.656 53.656 54.131 -0.475 18511
8368 1 20 . 1 1 36 36 LEU CB C 34 44.501 44.501 42.493 2.008 18511
8369 1 20 . 1 1 36 36 LEU H H 34 8.668 8.668 8.064 0.604 18511
8370 1 20 . 1 1 37 37 ALA N N 35 124.016 124.016 126.756 -2.740 18511
8371 1 20 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.492 0.057 18511
8372 1 20 . 1 1 37 37 ALA C C 35 175.757 175.757 177.037 -1.280 18511
8373 1 20 . 1 1 37 37 ALA CA C 35 50.039 50.039 50.925 -0.885 18511
8374 1 20 . 1 1 37 37 ALA CB C 35 21.822 21.822 20.060 1.762 18511
8375 1 20 . 1 1 37 37 ALA H H 35 8.177 8.177 8.378 -0.201 18511
8376 1 20 . 1 1 38 38 SER N N 36 114.574 114.574 117.932 -3.358 18511
8377 1 20 . 1 1 38 38 SER HA H 36 4.440 4.440 4.379 0.061 18511
8378 1 20 . 1 1 38 38 SER C C 36 174.005 174.005 174.302 -0.297 18511
8379 1 20 . 1 1 38 38 SER CA C 36 57.610 57.610 58.512 -0.902 18511
8380 1 20 . 1 1 38 38 SER CB C 36 62.056 62.056 63.008 -0.952 18511
8381 1 20 . 1 1 38 38 SER H H 36 8.444 8.444 8.549 -0.105 18511
8382 1 20 . 1 1 39 39 GLN N N 37 126.057 126.057 126.474 -0.417 18511
8383 1 20 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.482 -0.030 18511
8384 1 20 . 1 1 39 39 GLN C C 37 175.599 175.599 177.192 -1.593 18511
8385 1 20 . 1 1 39 39 GLN CA C 37 55.433 55.433 54.052 1.381 18511
8386 1 20 . 1 1 39 39 GLN CB C 37 29.970 29.970 29.828 0.142 18511
8387 1 20 . 1 1 39 39 GLN H H 37 8.477 8.477 7.909 0.568 18511
8388 1 20 . 1 1 41 41 ARG HA H 39 4.228 4.228 4.194 0.034 18511
8389 1 20 . 1 1 41 41 ARG C C 39 174.776 174.776 176.680 -1.904 18511
8390 1 20 . 1 1 41 41 ARG CA C 39 57.143 57.143 57.457 -0.314 18511
8391 1 20 . 1 1 41 41 ARG CB C 39 30.504 30.504 30.415 0.089 18511
8392 1 20 . 1 1 42 42 VAL N N 40 119.931 119.931 120.511 -0.580 18511
8393 1 20 . 1 1 42 42 VAL HA H 40 4.602 4.602 4.093 0.509 18511
8394 1 20 . 1 1 42 42 VAL C C 40 174.854 174.854 174.866 -0.012 18511
8395 1 20 . 1 1 42 42 VAL CA C 40 61.663 61.663 62.593 -0.930 18511
8396 1 20 . 1 1 42 42 VAL CB C 40 32.800 32.800 30.002 2.798 18511
8397 1 20 . 1 1 42 42 VAL H H 40 7.662 7.662 7.846 -0.184 18511
8398 1 20 . 1 1 43 43 GLN N N 41 125.689 125.689 127.759 -2.070 18511
8399 1 20 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.459 0.072 18511
8400 1 20 . 1 1 43 43 GLN C C 41 173.952 173.952 174.667 -0.715 18511
8401 1 20 . 1 1 43 43 GLN CA C 41 53.656 53.656 54.661 -1.005 18511
8402 1 20 . 1 1 43 43 GLN CB C 41 31.817 31.817 28.761 3.056 18511
8403 1 20 . 1 1 43 43 GLN H H 41 8.937 8.937 8.558 0.379 18511
8404 1 20 . 1 1 44 44 LEU N N 42 123.562 123.562 127.036 -3.474 18511
8405 1 20 . 1 1 44 44 LEU HA H 42 4.984 4.984 4.636 0.348 18511
8406 1 20 . 1 1 44 44 LEU C C 42 176.565 176.565 176.818 -0.253 18511
8407 1 20 . 1 1 44 44 LEU CA C 42 52.931 52.931 53.915 -0.984 18511
8408 1 20 . 1 1 44 44 LEU CB C 42 42.474 42.474 42.894 -0.420 18511
8409 1 20 . 1 1 44 44 LEU H H 42 8.231 8.231 8.351 -0.120 18511
8410 1 20 . 1 1 45 45 GLU N N 43 124.016 124.016 123.510 0.506 18511
8411 1 20 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.629 0.027 18511
8412 1 20 . 1 1 45 45 GLU C C 43 175.346 175.346 175.236 0.110 18511
8413 1 20 . 1 1 45 45 GLU CA C 43 54.723 54.723 54.585 0.138 18511
8414 1 20 . 1 1 45 45 GLU CB C 43 32.841 32.841 31.520 1.321 18511
8415 1 20 . 1 1 45 45 GLU H H 43 9.309 9.309 8.277 1.032 18511
8416 1 20 . 1 1 46 46 GLN N N 44 125.220 125.220 123.075 2.145 18511
8417 1 20 . 1 1 46 46 GLN HA H 44 4.928 4.928 4.836 0.092 18511
8418 1 20 . 1 1 46 46 GLN C C 44 174.332 174.332 174.727 -0.395 18511
8419 1 20 . 1 1 46 46 GLN CA C 44 54.832 54.832 55.358 -0.526 18511
8420 1 20 . 1 1 46 46 GLN CB C 44 30.726 30.726 30.544 0.182 18511
8421 1 20 . 1 1 46 46 GLN H H 44 8.825 8.825 8.796 0.029 18511
8422 1 20 . 1 1 47 47 ALA N N 45 129.999 129.999 125.635 4.364 18511
8423 1 20 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.532 0.140 18511
8424 1 20 . 1 1 47 47 ALA C C 45 177.056 177.056 177.149 -0.093 18511
8425 1 20 . 1 1 47 47 ALA CA C 45 50.716 50.716 52.689 -1.973 18511
8426 1 20 . 1 1 47 47 ALA CB C 45 18.798 18.798 20.913 -2.115 18511
8427 1 20 . 1 1 47 47 ALA H H 45 8.636 8.636 8.877 -0.241 18511
8428 1 20 . 1 1 48 48 GLY CA C 46 46.885 46.885 45.559 1.326 18511
8429 1 20 . 1 1 49 49 ALA HA H 47 4.183 4.183 4.181 0.002 18511
8430 1 20 . 1 1 49 49 ALA C C 47 176.586 176.586 176.351 0.235 18511
8431 1 20 . 1 1 49 49 ALA CA C 47 53.068 53.068 53.121 -0.053 18511
8432 1 20 . 1 1 49 49 ALA CB C 47 18.714 18.714 19.578 -0.864 18511
8433 1 20 . 1 1 50 50 ARG N N 48 119.282 119.282 117.759 1.523 18511
8434 1 20 . 1 1 50 50 ARG HA H 48 4.635 4.635 5.143 -0.508 18511
8435 1 20 . 1 1 50 50 ARG C C 48 174.348 174.348 174.678 -0.330 18511
8436 1 20 . 1 1 50 50 ARG CA C 48 55.672 55.672 54.804 0.868 18511
8437 1 20 . 1 1 50 50 ARG CB C 48 31.413 31.413 32.177 -0.764 18511
8438 1 20 . 1 1 50 50 ARG H H 48 7.725 7.725 7.893 -0.168 18511
8439 1 20 . 1 1 51 51 GLN N N 49 125.499 125.499 125.729 -0.230 18511
8440 1 20 . 1 1 51 51 GLN HA H 49 4.961 4.961 4.962 -0.001 18511
8441 1 20 . 1 1 51 51 GLN C C 49 174.427 174.427 174.236 0.191 18511
8442 1 20 . 1 1 51 51 GLN CA C 49 53.404 53.404 54.090 -0.686 18511
8443 1 20 . 1 1 51 51 GLN CB C 49 30.133 30.133 32.756 -2.623 18511
8444 1 20 . 1 1 51 51 GLN H H 49 9.086 9.086 8.080 1.006 18511
8445 1 20 . 1 1 52 52 VAL N N 50 121.957 121.957 122.527 -0.570 18511
8446 1 20 . 1 1 52 52 VAL HA H 50 5.185 5.185 5.108 0.077 18511
8447 1 20 . 1 1 52 52 VAL C C 50 173.714 173.714 174.220 -0.506 18511
8448 1 20 . 1 1 52 52 VAL CA C 50 60.314 60.314 60.654 -0.340 18511
8449 1 20 . 1 1 52 52 VAL CB C 50 36.154 36.154 34.231 1.923 18511
8450 1 20 . 1 1 52 52 VAL H H 50 8.687 8.687 8.302 0.385 18511
8451 1 20 . 1 1 53 53 LEU N N 51 129.580 129.580 129.385 0.195 18511
8452 1 20 . 1 1 53 53 LEU HA H 51 4.389 4.389 4.715 -0.326 18511
8453 1 20 . 1 1 53 53 LEU C C 51 174.427 174.427 174.437 -0.010 18511
8454 1 20 . 1 1 53 53 LEU CA C 51 53.536 53.536 52.460 1.076 18511
8455 1 20 . 1 1 53 53 LEU CB C 51 42.056 42.056 42.510 -0.454 18511
8456 1 20 . 1 1 53 53 LEU H H 51 8.380 8.380 7.752 0.628 18511
8457 1 20 . 1 1 54 54 ARG N N 52 125.706 125.706 127.826 -2.120 18511
8458 1 20 . 1 1 54 54 ARG HA H 52 5.255 5.255 4.723 0.532 18511
8459 1 20 . 1 1 54 54 ARG C C 52 174.981 174.981 174.565 0.416 18511
8460 1 20 . 1 1 54 54 ARG CA C 52 53.992 53.992 54.188 -0.195 18511
8461 1 20 . 1 1 54 54 ARG CB C 52 33.497 33.497 32.083 1.414 18511
8462 1 20 . 1 1 54 54 ARG H H 52 8.956 8.956 8.339 0.617 18511
8463 1 20 . 1 1 55 55 VAL N N 53 123.212 123.212 125.722 -2.510 18511
8464 1 20 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.122 0.497 18511
8465 1 20 . 1 1 55 55 VAL C C 53 175.124 175.124 175.555 -0.431 18511
8466 1 20 . 1 1 55 55 VAL CA C 53 61.092 61.092 61.771 -0.679 18511
8467 1 20 . 1 1 55 55 VAL CB C 53 34.527 34.527 31.610 2.917 18511
8468 1 20 . 1 1 55 55 VAL H H 53 8.511 8.511 8.654 -0.143 18511
8469 1 20 . 1 1 56 56 GLN N N 54 126.653 126.653 129.219 -2.566 18511
8470 1 20 . 1 1 56 56 GLN HA H 54 4.518 4.518 3.960 0.558 18511
8471 1 20 . 1 1 56 56 GLN C C 54 176.296 176.296 176.245 0.051 18511
8472 1 20 . 1 1 56 56 GLN CA C 54 55.022 55.022 56.605 -1.583 18511
8473 1 20 . 1 1 56 56 GLN CB C 54 29.749 29.749 28.474 1.275 18511
8474 1 20 . 1 1 56 56 GLN H H 54 8.509 8.509 8.035 0.474 18511
8475 1 20 . 1 1 57 57 GLY N N 55 114.559 114.559 113.452 1.107 18511
8476 1 20 . 1 1 57 57 GLY C C 55 174.585 174.585 173.147 1.438 18511
8477 1 20 . 1 1 57 57 GLY CA C 55 47.319 47.319 44.832 2.487 18511
8478 1 20 . 1 1 57 57 GLY H H 55 8.420 8.420 8.249 0.171 18511
8479 1 20 . 1 1 58 58 ALA N N 56 122.793 122.793 123.372 -0.579 18511
8480 1 20 . 1 1 58 58 ALA HA H 56 4.088 4.088 4.340 -0.252 18511
8481 1 20 . 1 1 58 58 ALA C C 56 177.120 177.120 175.904 1.216 18511
8482 1 20 . 1 1 58 58 ALA CA C 56 53.051 53.051 52.091 0.960 18511
8483 1 20 . 1 1 58 58 ALA CB C 56 18.051 18.051 19.582 -1.531 18511
8484 1 20 . 1 1 58 58 ALA H H 56 8.977 8.977 7.500 1.477 18511
8485 1 20 . 1 1 59 59 ARG N N 57 122.118 122.118 124.751 -2.633 18511
8486 1 20 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.428 0.323 18511
8487 1 20 . 1 1 59 59 ARG C C 57 177.231 177.231 176.100 1.131 18511
8488 1 20 . 1 1 59 59 ARG CA C 57 53.236 53.236 56.290 -3.054 18511
8489 1 20 . 1 1 59 59 ARG CB C 57 33.526 33.526 32.452 1.074 18511
8490 1 20 . 1 1 59 59 ARG H H 57 9.709 9.709 8.582 1.127 18511
8491 1 20 . 1 1 61 61 GLY C C 59 174.202 174.202 175.015 -0.813 18511
8492 1 20 . 1 1 61 61 GLY CA C 59 45.899 45.899 45.791 0.108 18511
8493 1 20 . 1 1 62 62 ASP N N 60 116.489 116.489 122.173 -5.684 18511
8494 1 20 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.467 0.204 18511
8495 1 20 . 1 1 62 62 ASP C C 60 176.692 176.692 175.843 0.849 18511
8496 1 20 . 1 1 62 62 ASP CA C 60 54.854 54.854 55.691 -0.837 18511
8497 1 20 . 1 1 62 62 ASP CB C 60 41.130 41.130 41.272 -0.142 18511
8498 1 20 . 1 1 62 62 ASP H H 60 8.300 8.300 7.636 0.664 18511
8499 1 20 . 1 1 63 63 ALA N N 61 122.793 122.793 121.721 1.072 18511
8500 1 20 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.385 -0.280 18511
8501 1 20 . 1 1 63 63 ALA C C 61 176.581 176.581 176.766 -0.185 18511
8502 1 20 . 1 1 63 63 ALA CA C 61 52.732 52.732 52.925 -0.193 18511
8503 1 20 . 1 1 63 63 ALA CB C 61 19.806 19.806 18.257 1.549 18511
8504 1 20 . 1 1 63 63 ALA H H 61 7.551 7.551 7.480 0.071 18511
8505 1 20 . 1 1 64 64 GLY N N 62 108.029 108.029 111.135 -3.106 18511
8506 1 20 . 1 1 64 64 GLY C C 62 171.274 171.274 172.317 -1.043 18511
8507 1 20 . 1 1 64 64 GLY CA C 62 44.826 44.826 44.697 0.129 18511
8508 1 20 . 1 1 64 64 GLY H H 62 8.720 8.720 7.774 0.946 18511
8509 1 20 . 1 1 65 65 GLU N N 63 122.343 122.343 120.992 1.351 18511
8510 1 20 . 1 1 65 65 GLU HA H 63 5.134 5.134 4.936 0.198 18511
8511 1 20 . 1 1 65 65 GLU C C 63 175.900 175.900 175.986 -0.086 18511
8512 1 20 . 1 1 65 65 GLU CA C 63 55.309 55.309 56.249 -0.940 18511
8513 1 20 . 1 1 65 65 GLU CB C 63 31.183 31.183 29.058 2.125 18511
8514 1 20 . 1 1 65 65 GLU H H 63 9.038 9.038 8.520 0.518 18511
8515 1 20 . 1 1 66 66 TYR N N 64 128.776 128.776 124.011 4.765 18511
8516 1 20 . 1 1 66 66 TYR HA H 64 5.769 5.769 5.628 0.141 18511
8517 1 20 . 1 1 66 66 TYR C C 64 174.157 174.157 176.419 -2.262 18511
8518 1 20 . 1 1 66 66 TYR CA C 64 56.596 56.596 57.491 -0.895 18511
8519 1 20 . 1 1 66 66 TYR CB C 64 40.857 40.857 41.201 -0.344 18511
8520 1 20 . 1 1 66 66 TYR H H 64 9.984 9.984 9.023 0.961 18511
8521 1 20 . 1 1 67 67 LEU N N 65 125.560 125.560 123.193 2.367 18511
8522 1 20 . 1 1 67 67 LEU HA H 65 5.360 5.360 5.167 0.193 18511
8523 1 20 . 1 1 67 67 LEU C C 65 174.617 174.617 175.217 -0.600 18511
8524 1 20 . 1 1 67 67 LEU CA C 65 53.294 53.294 54.614 -1.320 18511
8525 1 20 . 1 1 67 67 LEU CB C 65 46.296 46.296 44.915 1.381 18511
8526 1 20 . 1 1 67 67 LEU H H 65 9.385 9.385 8.920 0.465 18511
8527 1 20 . 1 1 68 68 CYS N N 66 127.135 127.135 128.386 -1.251 18511
8528 1 20 . 1 1 68 68 CYS HA H 66 3.994 3.994 4.376 -0.382 18511
8529 1 20 . 1 1 68 68 CYS C C 66 172.383 172.383 173.506 -1.123 18511
8530 1 20 . 1 1 68 68 CYS CA C 66 57.828 57.828 56.748 1.080 18511
8531 1 20 . 1 1 68 68 CYS CB C 66 26.535 26.535 27.099 -0.564 18511
8532 1 20 . 1 1 68 68 CYS H H 66 9.102 9.102 9.017 0.085 18511
8533 1 20 . 1 1 69 69 ASP N N 67 129.420 129.420 129.431 -0.011 18511
8534 1 20 . 1 1 69 69 ASP HA H 67 4.953 4.953 4.779 0.174 18511
8535 1 20 . 1 1 69 69 ASP C C 67 173.128 173.128 175.105 -1.977 18511
8536 1 20 . 1 1 69 69 ASP CA C 67 53.459 53.459 53.156 0.304 18511
8537 1 20 . 1 1 69 69 ASP CB C 67 44.249 44.249 42.592 1.657 18511
8538 1 20 . 1 1 69 69 ASP H H 67 9.296 9.296 8.078 1.218 18511
8539 1 20 . 1 1 70 70 ALA N N 68 129.162 129.162 129.283 -0.121 18511
8540 1 20 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.641 0.413 18511
8541 1 20 . 1 1 70 70 ALA C C 68 175.108 175.108 176.277 -1.169 18511
8542 1 20 . 1 1 70 70 ALA CA C 68 49.404 49.404 49.518 -0.114 18511
8543 1 20 . 1 1 70 70 ALA CB C 68 21.402 21.402 18.430 2.972 18511
8544 1 20 . 1 1 70 70 ALA H H 68 8.179 8.179 8.486 -0.307 18511
8545 1 20 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.286 -0.121 18511
8546 1 20 . 1 1 71 71 PRO C C 69 177.840 177.840 176.541 1.299 18511
8547 1 20 . 1 1 71 71 PRO CA C 69 65.906 65.906 63.944 1.962 18511
8548 1 20 . 1 1 71 71 PRO CB C 69 31.744 31.744 32.298 -0.555 18511
8549 1 20 . 1 1 72 72 GLN N N 70 113.851 113.851 115.936 -2.085 18511
8550 1 20 . 1 1 72 72 GLN HA H 70 4.363 4.363 4.369 -0.006 18511
8551 1 20 . 1 1 72 72 GLN C C 70 174.744 174.744 175.199 -0.455 18511
8552 1 20 . 1 1 72 72 GLN CA C 70 55.239 55.239 56.114 -0.875 18511
8553 1 20 . 1 1 72 72 GLN CB C 70 29.355 29.355 30.278 -0.923 18511
8554 1 20 . 1 1 72 72 GLN H H 70 9.053 9.053 8.026 1.027 18511
8555 1 20 . 1 1 73 73 ASP N N 71 118.081 118.081 118.366 -0.285 18511
8556 1 20 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.677 0.147 18511
8557 1 20 . 1 1 73 73 ASP C C 71 173.017 173.017 174.623 -1.606 18511
8558 1 20 . 1 1 73 73 ASP CA C 71 53.992 53.992 53.574 0.418 18511
8559 1 20 . 1 1 73 73 ASP CB C 71 44.449 44.449 42.859 1.590 18511
8560 1 20 . 1 1 73 73 ASP H H 71 7.336 7.336 8.001 -0.665 18511
8561 1 20 . 1 1 74 74 SER N N 72 114.356 114.356 116.227 -1.871 18511
8562 1 20 . 1 1 74 74 SER HA H 72 5.209 5.209 5.238 -0.029 18511
8563 1 20 . 1 1 74 74 SER C C 72 174.189 174.189 173.779 0.410 18511
8564 1 20 . 1 1 74 74 SER CA C 72 57.604 57.604 56.874 0.730 18511
8565 1 20 . 1 1 74 74 SER CB C 72 64.697 64.697 65.910 -1.213 18511
8566 1 20 . 1 1 74 74 SER H H 72 8.161 8.161 8.468 -0.307 18511
8567 1 20 . 1 1 75 75 ARG N N 73 122.793 122.793 124.117 -1.324 18511
8568 1 20 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.619 0.077 18511
8569 1 20 . 1 1 75 75 ARG C C 73 173.460 173.460 174.561 -1.101 18511
8570 1 20 . 1 1 75 75 ARG CA C 73 53.404 53.404 53.783 -0.379 18511
8571 1 20 . 1 1 75 75 ARG CB C 73 33.600 33.600 31.619 1.981 18511
8572 1 20 . 1 1 75 75 ARG H H 73 8.592 8.592 8.574 0.018 18511
8573 1 20 . 1 1 76 76 ILE N N 74 122.343 122.343 124.995 -2.652 18511
8574 1 20 . 1 1 76 76 ILE HA H 74 5.154 5.154 4.808 0.346 18511
8575 1 20 . 1 1 76 76 ILE C C 74 175.266 175.266 176.201 -0.935 18511
8576 1 20 . 1 1 76 76 ILE CA C 74 59.620 59.620 60.303 -0.683 18511
8577 1 20 . 1 1 76 76 ILE CB C 74 40.889 40.889 38.584 2.305 18511
8578 1 20 . 1 1 76 76 ILE H H 74 8.262 8.262 8.018 0.244 18511
8579 1 20 . 1 1 77 77 PHE N N 75 126.428 126.428 128.157 -1.729 18511
8580 1 20 . 1 1 77 77 PHE HA H 75 5.524 5.524 5.095 0.429 18511
8581 1 20 . 1 1 77 77 PHE C C 75 174.680 174.680 175.997 -1.317 18511
8582 1 20 . 1 1 77 77 PHE CA C 75 55.570 55.570 56.606 -1.036 18511
8583 1 20 . 1 1 77 77 PHE CB C 75 42.186 42.186 39.597 2.589 18511
8584 1 20 . 1 1 77 77 PHE H H 75 9.932 9.932 9.144 0.788 18511
8585 1 20 . 1 1 78 78 LEU N N 76 126.068 126.068 126.835 -0.767 18511
8586 1 20 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.448 0.676 18511
8587 1 20 . 1 1 78 78 LEU C C 76 176.138 176.138 176.185 -0.047 18511
8588 1 20 . 1 1 78 78 LEU CA C 76 53.799 53.799 54.942 -1.143 18511
8589 1 20 . 1 1 78 78 LEU CB C 76 41.851 41.851 40.591 1.260 18511
8590 1 20 . 1 1 78 78 LEU H H 76 9.091 9.091 8.659 0.432 18511
8591 1 20 . 1 1 79 79 VAL N N 77 129.130 129.130 126.955 2.175 18511
8592 1 20 . 1 1 79 79 VAL HA H 77 5.109 5.109 4.978 0.131 18511
8593 1 20 . 1 1 79 79 VAL C C 77 176.597 176.597 176.174 0.423 18511
8594 1 20 . 1 1 79 79 VAL CA C 77 61.384 61.384 61.746 -0.362 18511
8595 1 20 . 1 1 79 79 VAL CB C 77 33.846 33.846 33.354 0.492 18511
8596 1 20 . 1 1 79 79 VAL H H 77 9.408 9.408 8.153 1.255 18511
8597 1 20 . 1 1 80 80 SER N N 78 124.016 124.016 122.751 1.265 18511
8598 1 20 . 1 1 80 80 SER HA H 78 4.908 4.908 4.712 0.196 18511
8599 1 20 . 1 1 80 80 SER C C 78 172.431 172.431 173.383 -0.952 18511
8600 1 20 . 1 1 80 80 SER CA C 78 56.344 56.344 56.666 -0.322 18511
8601 1 20 . 1 1 80 80 SER CB C 78 65.164 65.164 64.525 0.639 18511
8602 1 20 . 1 1 80 80 SER H H 78 9.125 9.125 8.401 0.724 18511
8603 1 20 . 1 1 81 81 VAL N N 79 124.402 124.402 127.575 -3.173 18511
8604 1 20 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.838 -0.302 18511
8605 1 20 . 1 1 81 81 VAL C C 79 174.744 174.744 175.594 -0.850 18511
8606 1 20 . 1 1 81 81 VAL CA C 79 61.028 61.028 62.200 -1.172 18511
8607 1 20 . 1 1 81 81 VAL CB C 79 32.741 32.741 30.838 1.903 18511
8608 1 20 . 1 1 81 81 VAL H H 79 8.638 8.638 8.790 -0.152 18511
8609 1 20 . 1 1 82 82 GLU N N 80 124.145 124.145 126.429 -2.284 18511
8610 1 20 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.612 -0.051 18511
8611 1 20 . 1 1 82 82 GLU C C 80 174.839 174.839 174.705 0.134 18511
8612 1 20 . 1 1 82 82 GLU CA C 80 54.664 54.664 54.584 0.080 18511
8613 1 20 . 1 1 82 82 GLU CB C 80 32.237 32.237 32.629 -0.392 18511
8614 1 20 . 1 1 82 82 GLU H H 80 8.281 8.281 8.626 -0.345 18511
8615 1 20 . 1 1 83 83 GLU N N 81 123.244 123.244 118.578 4.666 18511
8616 1 20 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.135 0.304 18511
8617 1 20 . 1 1 83 83 GLU C C 81 173.841 173.841 174.341 -0.500 18511
8618 1 20 . 1 1 83 83 GLU CA C 81 54.611 54.611 55.839 -1.228 18511
8619 1 20 . 1 1 83 83 GLU CB C 81 29.046 29.046 28.390 0.656 18511
8620 1 20 . 1 1 83 83 GLU H H 81 8.656 8.656 8.671 -0.015 18511
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 70 2.539 0.052 2.557 18511
2 1 1 "Average Difference" HA 87 0.328 -0.075 0.321 18511
3 1 1 "Average Difference" C 77 0.959 0.313 0.913 18511
4 1 1 "Average Difference" CA 78 0.951 0.201 0.935 18511
5 1 1 "Average Difference" CB 68 1.424 -0.565 1.317 18511
6 1 1 "Average Difference" HN 70 0.554 -0.314 0.460 18511
7 1 2 "Average Difference" N 70 2.887 -0.040 2.908 18511
8 1 2 "Average Difference" HA 87 0.349 -0.066 0.344 18511
9 1 2 "Average Difference" C 77 1.116 0.399 1.049 18511
10 1 2 "Average Difference" CA 78 0.973 0.182 0.962 18511
11 1 2 "Average Difference" CB 68 1.444 -0.736 1.251 18511
12 1 2 "Average Difference" HN 70 0.680 -0.382 0.567 18511
13 1 3 "Average Difference" N 70 2.579 0.026 2.598 18511
14 1 3 "Average Difference" HA 87 0.340 -0.108 0.324 18511
15 1 3 "Average Difference" C 77 0.854 0.334 0.791 18511
16 1 3 "Average Difference" CA 78 1.014 0.254 0.988 18511
17 1 3 "Average Difference" CB 68 1.533 -0.682 1.383 18511
18 1 3 "Average Difference" HN 70 0.611 -0.358 0.499 18511
19 1 4 "Average Difference" N 70 2.601 0.042 2.619 18511
20 1 4 "Average Difference" HA 87 0.305 -0.072 0.299 18511
21 1 4 "Average Difference" C 77 0.948 0.282 0.911 18511
22 1 4 "Average Difference" CA 78 0.979 0.242 0.955 18511
23 1 4 "Average Difference" CB 68 1.491 -0.719 1.315 18511
24 1 4 "Average Difference" HN 70 0.597 -0.338 0.495 18511
25 1 5 "Average Difference" N 70 2.326 0.252 2.329 18511
26 1 5 "Average Difference" HA 87 0.316 -0.096 0.303 18511
27 1 5 "Average Difference" C 77 0.882 0.348 0.815 18511
28 1 5 "Average Difference" CA 78 0.853 0.158 0.844 18511
29 1 5 "Average Difference" CB 68 1.467 -0.700 1.299 18511
30 1 5 "Average Difference" HN 70 0.617 -0.340 0.518 18511
31 1 6 "Average Difference" N 70 2.639 -0.023 2.658 18511
32 1 6 "Average Difference" HA 87 0.325 -0.117 0.305 18511
33 1 6 "Average Difference" C 77 0.996 0.350 0.939 18511
34 1 6 "Average Difference" CA 78 1.029 0.239 1.008 18511
35 1 6 "Average Difference" CB 68 1.531 -0.601 1.419 18511
36 1 6 "Average Difference" HN 70 0.591 -0.365 0.467 18511
37 1 7 "Average Difference" N 70 2.754 0.669 2.691 18511
38 1 7 "Average Difference" HA 87 0.348 -0.111 0.331 18511
39 1 7 "Average Difference" C 77 0.888 0.434 0.780 18511
40 1 7 "Average Difference" CA 78 0.901 0.215 0.881 18511
41 1 7 "Average Difference" CB 68 1.671 -0.985 1.359 18511
42 1 7 "Average Difference" HN 70 0.612 -0.365 0.495 18511
43 1 8 "Average Difference" N 70 2.469 0.307 2.468 18511
44 1 8 "Average Difference" HA 87 0.318 -0.091 0.307 18511
45 1 8 "Average Difference" C 77 0.940 0.290 0.900 18511
46 1 8 "Average Difference" CA 78 0.970 0.316 0.923 18511
47 1 8 "Average Difference" CB 68 1.485 -0.684 1.328 18511
48 1 8 "Average Difference" HN 70 0.580 -0.377 0.443 18511
49 1 9 "Average Difference" N 70 2.701 0.078 2.720 18511
50 1 9 "Average Difference" HA 87 0.326 -0.127 0.302 18511
51 1 9 "Average Difference" C 77 0.886 0.223 0.863 18511
52 1 9 "Average Difference" CA 78 0.989 0.368 0.924 18511
53 1 9 "Average Difference" CB 68 1.496 -0.692 1.337 18511
54 1 9 "Average Difference" HN 70 0.579 -0.334 0.476 18511
55 1 10 "Average Difference" N 70 2.831 0.414 2.820 18511
56 1 10 "Average Difference" HA 87 0.345 -0.100 0.332 18511
57 1 10 "Average Difference" C 77 0.936 0.333 0.881 18511
58 1 10 "Average Difference" CA 78 1.041 0.335 0.992 18511
59 1 10 "Average Difference" CB 68 1.495 -0.700 1.331 18511
60 1 10 "Average Difference" HN 70 0.640 -0.354 0.538 18511
61 1 11 "Average Difference" N 70 2.426 0.260 2.429 18511
62 1 11 "Average Difference" HA 87 0.319 -0.097 0.306 18511
63 1 11 "Average Difference" C 77 0.880 0.324 0.824 18511
64 1 11 "Average Difference" CA 78 0.943 0.186 0.931 18511
65 1 11 "Average Difference" CB 68 1.517 -0.660 1.376 18511
66 1 11 "Average Difference" HN 70 0.579 -0.330 0.478 18511
67 1 12 "Average Difference" N 70 2.513 0.424 2.495 18511
68 1 12 "Average Difference" HA 87 0.308 -0.081 0.299 18511
69 1 12 "Average Difference" C 77 0.940 0.240 0.915 18511
70 1 12 "Average Difference" CA 78 0.830 0.196 0.811 18511
71 1 12 "Average Difference" CB 68 1.517 -0.787 1.306 18511
72 1 12 "Average Difference" HN 70 0.590 -0.294 0.515 18511
73 1 13 "Average Difference" N 70 2.511 -0.029 2.529 18511
74 1 13 "Average Difference" HA 87 0.316 -0.094 0.303 18511
75 1 13 "Average Difference" C 77 0.863 0.304 0.813 18511
76 1 13 "Average Difference" CA 78 0.929 0.266 0.896 18511
77 1 13 "Average Difference" CB 68 1.484 -0.802 1.258 18511
78 1 13 "Average Difference" HN 70 0.600 -0.364 0.481 18511
79 1 14 "Average Difference" N 70 2.352 0.064 2.368 18511
80 1 14 "Average Difference" HA 87 0.328 -0.082 0.320 18511
81 1 14 "Average Difference" C 77 0.976 0.222 0.957 18511
82 1 14 "Average Difference" CA 78 0.892 0.141 0.887 18511
83 1 14 "Average Difference" CB 68 1.484 -0.641 1.348 18511
84 1 14 "Average Difference" HN 70 0.543 -0.311 0.448 18511
85 1 15 "Average Difference" N 70 2.638 0.071 2.656 18511
86 1 15 "Average Difference" HA 87 0.304 -0.102 0.288 18511
87 1 15 "Average Difference" C 77 1.021 0.431 0.932 18511
88 1 15 "Average Difference" CA 78 0.954 0.284 0.917 18511
89 1 15 "Average Difference" CB 68 1.549 -0.885 1.280 18511
90 1 15 "Average Difference" HN 70 0.632 -0.367 0.519 18511
91 1 16 "Average Difference" N 70 2.696 0.241 2.705 18511
92 1 16 "Average Difference" HA 87 0.304 -0.065 0.298 18511
93 1 16 "Average Difference" C 77 0.923 0.265 0.890 18511
94 1 16 "Average Difference" CA 78 0.875 0.131 0.871 18511
95 1 16 "Average Difference" CB 68 1.510 -0.632 1.382 18511
96 1 16 "Average Difference" HN 70 0.550 -0.334 0.441 18511
97 1 17 "Average Difference" N 70 2.496 0.269 2.499 18511
98 1 17 "Average Difference" HA 87 0.320 -0.078 0.312 18511
99 1 17 "Average Difference" C 77 0.980 0.332 0.928 18511
100 1 17 "Average Difference" CA 78 0.926 0.254 0.896 18511
101 1 17 "Average Difference" CB 68 1.382 -0.728 1.183 18511
102 1 17 "Average Difference" HN 70 0.588 -0.352 0.474 18511
103 1 18 "Average Difference" N 70 2.199 0.088 2.213 18511
104 1 18 "Average Difference" HA 87 0.298 -0.066 0.293 18511
105 1 18 "Average Difference" C 77 0.865 0.343 0.800 18511
106 1 18 "Average Difference" CA 78 0.948 0.168 0.939 18511
107 1 18 "Average Difference" CB 68 1.373 -0.538 1.272 18511
108 1 18 "Average Difference" HN 70 0.567 -0.338 0.459 18511
109 1 19 "Average Difference" N 70 2.751 0.445 2.734 18511
110 1 19 "Average Difference" HA 87 0.355 -0.108 0.340 18511
111 1 19 "Average Difference" C 77 1.094 0.320 1.053 18511
112 1 19 "Average Difference" CA 78 1.121 0.393 1.057 18511
113 1 19 "Average Difference" CB 68 1.589 -0.908 1.314 18511
114 1 19 "Average Difference" HN 70 0.617 -0.337 0.521 18511
115 1 20 "Average Difference" N 70 2.691 -0.146 2.706 18511
116 1 20 "Average Difference" HA 87 0.305 -0.062 0.301 18511
117 1 20 "Average Difference" C 77 0.939 0.328 0.886 18511
118 1 20 "Average Difference" CA 78 0.906 0.180 0.894 18511
119 1 20 "Average Difference" CB 68 1.475 -0.458 1.412 18511
120 1 20 "Average Difference" HN 70 0.618 -0.378 0.492 18511
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 18511
_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 4 4 THR N N 2 121.282 121.282 119.173 2.109 18511
2 1 . 1 1 4 4 THR HA H 2 4.463 4.463 4.209 0.254 18511
3 1 . 1 1 4 4 THR C C 2 173.255 173.255 173.687 -0.432 18511
4 1 . 1 1 4 4 THR CA C 2 62.056 62.056 62.131 -0.075 18511
5 1 . 1 1 4 4 THR CB C 2 70.955 70.955 67.784 3.171 18511
6 1 . 1 1 4 4 THR H H 2 8.319 8.319 8.340 -0.021 18511
7 1 . 1 1 5 5 ARG N N 3 127.535 127.535 126.167 1.368 18511
8 1 . 1 1 5 5 ARG HA H 3 5.083 5.083 4.647 0.436 18511
9 1 . 1 1 5 5 ARG C C 3 175.694 175.694 175.335 0.359 18511
10 1 . 1 1 5 5 ARG CA C 3 55.236 55.236 55.566 -0.330 18511
11 1 . 1 1 5 5 ARG CB C 3 30.776 30.776 31.814 -1.038 18511
12 1 . 1 1 5 5 ARG H H 3 8.958 8.958 8.200 0.758 18511
13 1 . 1 1 6 6 VAL N N 4 125.495 125.495 124.324 1.171 18511
14 1 . 1 1 6 6 VAL HA H 4 4.332 4.332 4.386 -0.054 18511
15 1 . 1 1 6 6 VAL C C 4 173.365 173.365 174.467 -1.102 18511
16 1 . 1 1 6 6 VAL CA C 4 61.473 61.473 60.857 0.616 18511
17 1 . 1 1 6 6 VAL CB C 4 35.854 35.854 35.408 0.446 18511
18 1 . 1 1 6 6 VAL H H 4 8.812 8.812 8.325 0.487 18511
19 1 . 1 1 7 7 ARG N N 5 127.554 127.554 126.768 0.786 18511
20 1 . 1 1 7 7 ARG HA H 5 5.175 5.175 4.929 0.246 18511
21 1 . 1 1 7 7 ARG C C 5 175.694 175.694 175.360 0.334 18511
22 1 . 1 1 7 7 ARG CA C 5 54.373 54.373 55.349 -0.976 18511
23 1 . 1 1 7 7 ARG CB C 5 31.679 31.679 31.983 -0.304 18511
24 1 . 1 1 7 7 ARG H H 5 8.712 8.712 8.644 0.068 18511
25 1 . 1 1 8 8 SER N N 6 120.281 120.281 119.519 0.762 18511
26 1 . 1 1 8 8 SER HA H 6 4.762 4.762 4.797 -0.035 18511
27 1 . 1 1 8 8 SER C C 6 173.555 173.555 173.034 0.521 18511
28 1 . 1 1 8 8 SER CA C 6 56.428 56.428 56.645 -0.217 18511
29 1 . 1 1 8 8 SER CB C 6 65.450 65.450 65.586 -0.136 18511
30 1 . 1 1 8 8 SER H H 6 8.669 8.669 8.611 0.058 18511
31 1 . 1 1 9 9 THR N N 7 117.885 117.885 114.574 3.311 18511
32 1 . 1 1 9 9 THR HA H 7 4.847 4.847 5.322 -0.475 18511
33 1 . 1 1 9 9 THR C C 7 172.748 172.748 173.383 -0.635 18511
34 1 . 1 1 9 9 THR CA C 7 59.436 59.436 58.401 1.035 18511
35 1 . 1 1 9 9 THR CB C 7 69.938 69.938 69.694 0.244 18511
36 1 . 1 1 9 9 THR H H 7 8.362 8.362 8.463 -0.101 18511
37 1 . 1 1 10 10 PRO HA H 8 4.060 4.060 4.413 -0.353 18511
38 1 . 1 1 10 10 PRO C C 8 177.966 177.966 177.050 0.916 18511
39 1 . 1 1 10 10 PRO CA C 8 63.484 63.484 63.081 0.403 18511
40 1 . 1 1 10 10 PRO CB C 8 30.986 30.986 30.657 0.329 18511
41 1 . 1 1 11 11 GLY N N 9 114.800 114.800 112.694 2.106 18511
42 1 . 1 1 11 11 GLY C C 9 174.870 174.870 174.273 0.597 18511
43 1 . 1 1 11 11 GLY CA C 9 45.147 45.147 45.096 0.051 18511
44 1 . 1 1 11 11 GLY H H 9 9.824 9.824 8.430 1.394 18511
45 1 . 1 1 12 12 GLY N N 10 109.721 109.721 109.328 0.393 18511
46 1 . 1 1 12 12 GLY C C 10 171.924 171.924 172.355 -0.431 18511
47 1 . 1 1 12 12 GLY CA C 10 43.913 43.913 44.432 -0.519 18511
48 1 . 1 1 12 12 GLY H H 10 8.172 8.172 7.737 0.435 18511
49 1 . 1 1 13 13 ASP N N 11 119.275 119.275 119.282 -0.007 18511
50 1 . 1 1 13 13 ASP HA H 11 5.316 5.316 4.838 0.478 18511
51 1 . 1 1 13 13 ASP C C 11 176.185 176.185 175.100 1.085 18511
52 1 . 1 1 13 13 ASP CA C 11 53.404 53.404 53.250 0.154 18511
53 1 . 1 1 13 13 ASP CB C 11 41.309 41.309 42.779 -1.470 18511
54 1 . 1 1 13 13 ASP H H 11 8.442 8.442 8.160 0.282 18511
55 1 . 1 1 14 14 LEU N N 12 125.431 125.431 122.463 2.968 18511
56 1 . 1 1 14 14 LEU HA H 12 4.426 4.426 4.508 -0.082 18511
57 1 . 1 1 14 14 LEU C C 12 174.934 174.934 175.214 -0.280 18511
58 1 . 1 1 14 14 LEU CA C 12 53.697 53.697 54.406 -0.709 18511
59 1 . 1 1 14 14 LEU CB C 12 44.170 44.170 44.034 0.136 18511
60 1 . 1 1 14 14 LEU H H 12 8.889 8.889 8.204 0.685 18511
61 1 . 1 1 15 15 GLU N N 13 126.203 126.203 126.517 -0.314 18511
62 1 . 1 1 15 15 GLU HA H 13 4.901 4.901 4.724 0.177 18511
63 1 . 1 1 15 15 GLU C C 13 173.555 173.555 175.167 -1.612 18511
64 1 . 1 1 15 15 GLU CA C 13 55.168 55.168 54.992 0.176 18511
65 1 . 1 1 15 15 GLU CB C 13 32.489 32.489 31.583 0.906 18511
66 1 . 1 1 15 15 GLU H H 13 8.469 8.469 8.436 0.033 18511
67 1 . 1 1 16 16 LEU N N 14 127.480 127.480 129.633 -2.153 18511
68 1 . 1 1 16 16 LEU HA H 14 4.222 4.222 4.603 -0.381 18511
69 1 . 1 1 16 16 LEU C C 14 174.221 174.221 175.539 -1.318 18511
70 1 . 1 1 16 16 LEU CA C 14 52.900 52.900 53.987 -1.087 18511
71 1 . 1 1 16 16 LEU CB C 14 40.861 40.861 42.196 -1.335 18511
72 1 . 1 1 16 16 LEU H H 14 9.082 9.082 8.662 0.420 18511
73 1 . 1 1 17 17 VAL N N 15 122.038 122.038 126.058 -4.020 18511
74 1 . 1 1 17 17 VAL HA H 15 4.761 4.761 4.451 0.310 18511
75 1 . 1 1 17 17 VAL C C 15 175.330 175.330 175.899 -0.569 18511
76 1 . 1 1 17 17 VAL CA C 15 61.468 61.468 61.824 -0.356 18511
77 1 . 1 1 17 17 VAL CB C 15 33.749 33.749 32.177 1.572 18511
78 1 . 1 1 17 17 VAL H H 15 8.105 8.105 8.453 -0.348 18511
79 1 . 1 1 18 18 VAL N N 16 127.741 127.741 127.078 0.663 18511
80 1 . 1 1 18 18 VAL HA H 16 4.285 4.285 4.556 -0.271 18511
81 1 . 1 1 18 18 VAL C C 16 173.555 173.555 175.255 -1.700 18511
82 1 . 1 1 18 18 VAL CA C 16 61.020 61.020 61.338 -0.318 18511
83 1 . 1 1 18 18 VAL CB C 16 35.604 35.604 33.420 2.184 18511
84 1 . 1 1 18 18 VAL H H 16 9.335 9.335 8.453 0.882 18511
85 1 . 1 1 19 19 HIS N N 17 126.695 126.695 123.210 3.484 18511
86 1 . 1 1 19 19 HIS HA H 17 5.023 5.023 4.928 0.095 18511
87 1 . 1 1 19 19 HIS C C 17 175.710 175.710 175.124 0.586 18511
88 1 . 1 1 19 19 HIS CA C 17 55.225 55.225 55.040 0.184 18511
89 1 . 1 1 19 19 HIS CB C 17 30.418 30.418 29.616 0.802 18511
90 1 . 1 1 19 19 HIS H H 17 8.710 8.710 8.712 -0.002 18511
91 1 . 1 1 20 20 LEU N N 18 124.981 124.981 119.821 5.160 18511
92 1 . 1 1 20 20 LEU HA H 18 4.311 4.311 4.294 0.017 18511
93 1 . 1 1 20 20 LEU C C 18 177.357 177.357 177.415 -0.058 18511
94 1 . 1 1 20 20 LEU CA C 18 54.162 54.162 55.227 -1.065 18511
95 1 . 1 1 20 20 LEU CB C 18 43.005 43.005 42.034 0.971 18511
96 1 . 1 1 20 20 LEU H H 18 8.941 8.941 7.849 1.092 18511
97 1 . 1 1 21 21 SER N N 19 116.428 116.428 116.536 -0.108 18511
98 1 . 1 1 21 21 SER HA H 19 4.280 4.280 4.458 -0.178 18511
99 1 . 1 1 21 21 SER C C 19 174.348 174.348 174.630 -0.282 18511
100 1 . 1 1 21 21 SER CA C 19 59.696 59.696 58.754 0.942 18511
101 1 . 1 1 21 21 SER CB C 19 63.364 63.364 63.075 0.289 18511
102 1 . 1 1 21 21 SER H H 19 9.513 9.513 8.580 0.933 18511
103 1 . 1 1 22 22 GLY N N 20 107.975 107.975 110.865 -2.890 18511
104 1 . 1 1 22 22 GLY C C 20 171.306 171.306 172.639 -1.333 18511
105 1 . 1 1 22 22 GLY CA C 20 44.193 44.193 43.249 0.944 18511
106 1 . 1 1 22 22 GLY H H 20 7.532 7.532 7.832 -0.300 18511
107 1 . 1 1 23 23 PRO HA H 21 4.363 4.363 4.438 -0.075 18511
108 1 . 1 1 23 23 PRO C C 21 177.141 177.141 177.176 -0.035 18511
109 1 . 1 1 23 23 PRO CA C 21 63.096 63.096 62.911 0.185 18511
110 1 . 1 1 23 23 PRO CB C 21 32.105 32.105 32.036 0.069 18511
111 1 . 1 1 24 24 GLY N N 22 107.827 107.827 110.009 -2.182 18511
112 1 . 1 1 24 24 GLY C C 22 173.270 173.270 173.952 -0.682 18511
113 1 . 1 1 24 24 GLY CA C 22 45.013 45.013 45.262 -0.249 18511
114 1 . 1 1 24 24 GLY H H 22 8.264 8.264 8.222 0.042 18511
115 1 . 1 1 25 25 GLY N N 23 108.700 108.700 108.965 -0.264 18511
116 1 . 1 1 25 25 GLY C C 23 170.292 170.292 172.614 -2.322 18511
117 1 . 1 1 25 25 GLY CA C 23 43.573 43.573 44.565 -0.992 18511
118 1 . 1 1 25 25 GLY H H 23 7.797 7.797 8.017 -0.220 18511
119 1 . 1 1 26 26 PRO HA H 24 4.574 4.574 4.592 -0.018 18511
120 1 . 1 1 26 26 PRO C C 24 175.331 175.331 175.869 -0.538 18511
121 1 . 1 1 26 26 PRO CA C 24 62.105 62.105 62.554 -0.449 18511
122 1 . 1 1 26 26 PRO CB C 24 34.842 34.842 32.678 2.164 18511
123 1 . 1 1 27 27 VAL N N 25 121.565 121.565 122.218 -0.653 18511
124 1 . 1 1 27 27 VAL HA H 25 4.662 4.662 4.131 0.531 18511
125 1 . 1 1 27 27 VAL C C 25 175.742 175.742 176.055 -0.313 18511
126 1 . 1 1 27 27 VAL CA C 25 61.384 61.384 62.036 -0.653 18511
127 1 . 1 1 27 27 VAL CB C 25 32.971 32.971 32.451 0.520 18511
128 1 . 1 1 27 27 VAL H H 25 8.579 8.579 8.237 0.343 18511
129 1 . 1 1 28 28 ARG N N 26 127.876 127.876 126.271 1.605 18511
130 1 . 1 1 28 28 ARG HA H 26 4.582 4.582 4.494 0.088 18511
131 1 . 1 1 28 28 ARG C C 26 173.144 173.144 174.889 -1.745 18511
132 1 . 1 1 28 28 ARG CA C 26 54.861 54.861 54.789 0.072 18511
133 1 . 1 1 28 28 ARG CB C 26 34.589 34.589 32.298 2.291 18511
134 1 . 1 1 28 28 ARG H H 26 8.856 8.856 8.383 0.473 18511
135 1 . 1 1 29 29 TRP N N 27 121.571 121.571 121.790 -0.219 18511
136 1 . 1 1 29 29 TRP HA H 27 5.986 5.986 5.204 0.782 18511
137 1 . 1 1 29 29 TRP C C 27 175.932 175.932 175.774 0.158 18511
138 1 . 1 1 29 29 TRP CA C 27 55.504 55.504 56.022 -0.518 18511
139 1 . 1 1 29 29 TRP CB C 27 32.584 32.584 31.907 0.677 18511
140 1 . 1 1 29 29 TRP H H 27 8.858 8.858 8.540 0.318 18511
141 1 . 1 1 30 30 TYR N N 28 118.451 118.451 122.364 -3.913 18511
142 1 . 1 1 30 30 TYR HA H 28 5.332 5.332 4.891 0.441 18511
143 1 . 1 1 30 30 TYR C C 28 175.108 175.108 174.468 0.640 18511
144 1 . 1 1 30 30 TYR CA C 28 55.924 55.924 56.992 -1.068 18511
145 1 . 1 1 30 30 TYR CB C 28 43.194 43.194 42.086 1.108 18511
146 1 . 1 1 30 30 TYR H H 28 9.605 9.605 8.894 0.711 18511
147 1 . 1 1 31 31 LYS N N 29 120.638 120.638 121.958 -1.320 18511
148 1 . 1 1 31 31 LYS HA H 29 4.790 4.790 4.742 0.048 18511
149 1 . 1 1 31 31 LYS C C 29 176.565 176.565 176.593 -0.028 18511
150 1 . 1 1 31 31 LYS CA C 29 54.496 54.496 54.418 0.077 18511
151 1 . 1 1 31 31 LYS CB C 29 35.345 35.345 34.393 0.952 18511
152 1 . 1 1 31 31 LYS H H 29 9.055 9.055 8.738 0.317 18511
153 1 . 1 1 32 32 ASP N N 30 131.009 131.009 127.815 3.194 18511
154 1 . 1 1 32 32 ASP HA H 30 4.446 4.446 4.276 0.170 18511
155 1 . 1 1 32 32 ASP C C 30 176.344 176.344 176.165 0.179 18511
156 1 . 1 1 32 32 ASP CA C 30 55.846 55.846 55.684 0.162 18511
157 1 . 1 1 32 32 ASP CB C 30 40.289 40.289 40.098 0.191 18511
158 1 . 1 1 32 32 ASP H H 30 10.006 10.006 8.884 1.122 18511
159 1 . 1 1 33 33 GLY N N 31 102.658 102.658 104.436 -1.778 18511
160 1 . 1 1 33 33 GLY C C 31 173.809 173.809 173.562 0.247 18511
161 1 . 1 1 33 33 GLY CA C 31 45.127 45.127 45.055 0.072 18511
162 1 . 1 1 33 33 GLY H H 31 8.903 8.903 8.573 0.330 18511
163 1 . 1 1 34 34 GLU N N 32 121.796 121.796 121.452 0.344 18511
164 1 . 1 1 34 34 GLU HA H 32 4.742 4.742 4.772 -0.030 18511
165 1 . 1 1 34 34 GLU C C 32 175.789 175.789 175.518 0.271 18511
166 1 . 1 1 34 34 GLU CA C 32 54.496 54.496 54.549 -0.053 18511
167 1 . 1 1 34 34 GLU CB C 32 31.161 31.161 31.801 -0.640 18511
168 1 . 1 1 34 34 GLU H H 32 8.152 8.152 7.925 0.227 18511
169 1 . 1 1 35 35 ARG N N 33 126.589 126.589 125.306 1.283 18511
170 1 . 1 1 35 35 ARG HA H 33 3.927 3.927 4.297 -0.370 18511
171 1 . 1 1 35 35 ARG C C 33 176.296 176.296 175.366 0.930 18511
172 1 . 1 1 35 35 ARG CA C 33 56.344 56.344 56.145 0.199 18511
173 1 . 1 1 35 35 ARG CB C 33 29.803 29.803 30.167 -0.364 18511
174 1 . 1 1 35 35 ARG H H 33 8.928 8.928 8.704 0.224 18511
175 1 . 1 1 36 36 LEU N N 34 127.490 127.490 123.089 4.401 18511
176 1 . 1 1 36 36 LEU HA H 34 4.597 4.597 4.465 0.132 18511
177 1 . 1 1 36 36 LEU C C 34 175.361 175.361 176.242 -0.881 18511
178 1 . 1 1 36 36 LEU CA C 34 53.656 53.656 54.081 -0.425 18511
179 1 . 1 1 36 36 LEU CB C 34 44.501 44.501 42.768 1.733 18511
180 1 . 1 1 36 36 LEU H H 34 8.668 8.668 7.997 0.671 18511
181 1 . 1 1 37 37 ALA N N 35 124.016 124.016 124.171 -0.155 18511
182 1 . 1 1 37 37 ALA HA H 35 4.549 4.549 4.575 -0.026 18511
183 1 . 1 1 37 37 ALA C C 35 175.757 175.757 176.619 -0.862 18511
184 1 . 1 1 37 37 ALA CA C 35 50.039 50.039 50.682 -0.643 18511
185 1 . 1 1 37 37 ALA CB C 35 21.822 21.822 20.774 1.048 18511
186 1 . 1 1 37 37 ALA H H 35 8.177 8.177 8.134 0.043 18511
187 1 . 1 1 38 38 SER N N 36 114.574 114.574 116.813 -2.239 18511
188 1 . 1 1 38 38 SER HA H 36 4.440 4.440 4.490 -0.051 18511
189 1 . 1 1 38 38 SER C C 36 174.005 174.005 174.386 -0.381 18511
190 1 . 1 1 38 38 SER CA C 36 57.610 57.610 58.419 -0.809 18511
191 1 . 1 1 38 38 SER CB C 36 62.056 62.056 62.704 -0.648 18511
192 1 . 1 1 38 38 SER H H 36 8.444 8.444 8.526 -0.082 18511
193 1 . 1 1 39 39 GLN N N 37 126.057 126.057 125.697 0.360 18511
194 1 . 1 1 39 39 GLN HA H 37 4.452 4.452 4.487 -0.035 18511
195 1 . 1 1 39 39 GLN C C 37 175.599 175.599 176.606 -1.007 18511
196 1 . 1 1 39 39 GLN CA C 37 55.433 55.433 54.951 0.482 18511
197 1 . 1 1 39 39 GLN CB C 37 29.970 29.970 30.349 -0.379 18511
198 1 . 1 1 39 39 GLN H H 37 8.477 8.477 8.087 0.390 18511
199 1 . 1 1 41 41 ARG HA H 39 4.228 4.228 4.221 0.007 18511
200 1 . 1 1 41 41 ARG C C 39 174.776 174.776 176.140 -1.364 18511
201 1 . 1 1 41 41 ARG CA C 39 57.143 57.143 57.301 -0.158 18511
202 1 . 1 1 41 41 ARG CB C 39 30.504 30.504 30.512 -0.008 18511
203 1 . 1 1 42 42 VAL N N 40 119.931 119.931 120.641 -0.710 18511
204 1 . 1 1 42 42 VAL HA H 40 4.602 4.602 4.460 0.142 18511
205 1 . 1 1 42 42 VAL C C 40 174.854 174.854 174.855 -0.001 18511
206 1 . 1 1 42 42 VAL CA C 40 61.663 61.663 61.737 -0.074 18511
207 1 . 1 1 42 42 VAL CB C 40 32.800 32.800 30.913 1.887 18511
208 1 . 1 1 42 42 VAL H H 40 7.662 7.662 7.766 -0.104 18511
209 1 . 1 1 43 43 GLN N N 41 125.689 125.689 126.652 -0.963 18511
210 1 . 1 1 43 43 GLN HA H 41 4.531 4.531 4.556 -0.025 18511
211 1 . 1 1 43 43 GLN C C 41 173.952 173.952 174.491 -0.539 18511
212 1 . 1 1 43 43 GLN CA C 41 53.656 53.656 54.505 -0.849 18511
213 1 . 1 1 43 43 GLN CB C 41 31.817 31.817 29.949 1.868 18511
214 1 . 1 1 43 43 GLN H H 41 8.937 8.937 8.435 0.502 18511
215 1 . 1 1 44 44 LEU N N 42 123.562 123.562 126.480 -2.918 18511
216 1 . 1 1 44 44 LEU HA H 42 4.984 4.984 4.891 0.093 18511
217 1 . 1 1 44 44 LEU C C 42 176.565 176.565 176.592 -0.027 18511
218 1 . 1 1 44 44 LEU CA C 42 52.931 52.931 53.556 -0.625 18511
219 1 . 1 1 44 44 LEU CB C 42 42.474 42.474 43.184 -0.710 18511
220 1 . 1 1 44 44 LEU H H 42 8.231 8.231 8.550 -0.319 18511
221 1 . 1 1 45 45 GLU N N 43 124.016 124.016 124.539 -0.523 18511
222 1 . 1 1 45 45 GLU HA H 43 4.656 4.656 4.534 0.122 18511
223 1 . 1 1 45 45 GLU C C 43 175.346 175.346 174.972 0.374 18511
224 1 . 1 1 45 45 GLU CA C 43 54.723 54.723 55.042 -0.319 18511
225 1 . 1 1 45 45 GLU CB C 43 32.841 32.841 31.505 1.336 18511
226 1 . 1 1 45 45 GLU H H 43 9.309 9.309 8.452 0.857 18511
227 1 . 1 1 46 46 GLN N N 44 125.220 125.220 124.946 0.274 18511
228 1 . 1 1 46 46 GLN HA H 44 4.928 4.928 4.752 0.176 18511
229 1 . 1 1 46 46 GLN C C 44 174.332 174.332 174.843 -0.511 18511
230 1 . 1 1 46 46 GLN CA C 44 54.832 54.832 55.207 -0.375 18511
231 1 . 1 1 46 46 GLN CB C 44 30.726 30.726 29.206 1.520 18511
232 1 . 1 1 46 46 GLN H H 44 8.825 8.825 8.754 0.071 18511
233 1 . 1 1 47 47 ALA N N 45 129.999 129.999 127.995 2.003 18511
234 1 . 1 1 47 47 ALA HA H 45 4.672 4.672 4.674 -0.002 18511
235 1 . 1 1 47 47 ALA C C 45 177.056 177.056 176.823 0.233 18511
236 1 . 1 1 47 47 ALA CA C 45 50.716 50.716 51.561 -0.845 18511
237 1 . 1 1 47 47 ALA CB C 45 18.798 18.798 20.702 -1.904 18511
238 1 . 1 1 47 47 ALA H H 45 8.636 8.636 8.650 -0.014 18511
239 1 . 1 1 48 48 GLY CA C 46 46.885 46.885 45.666 1.219 18511
240 1 . 1 1 49 49 ALA HA H 47 4.183 4.183 4.221 -0.038 18511
241 1 . 1 1 49 49 ALA C C 47 176.586 176.586 177.007 -0.421 18511
242 1 . 1 1 49 49 ALA CA C 47 53.068 53.068 53.103 -0.035 18511
243 1 . 1 1 49 49 ALA CB C 47 18.714 18.714 18.924 -0.210 18511
244 1 . 1 1 50 50 ARG N N 48 119.282 119.282 121.382 -2.100 18511
245 1 . 1 1 50 50 ARG HA H 48 4.635 4.635 4.725 -0.090 18511
246 1 . 1 1 50 50 ARG C C 48 174.348 174.348 175.048 -0.700 18511
247 1 . 1 1 50 50 ARG CA C 48 55.672 55.672 55.246 0.426 18511
248 1 . 1 1 50 50 ARG CB C 48 31.413 31.413 30.799 0.614 18511
249 1 . 1 1 50 50 ARG H H 48 7.725 7.725 7.898 -0.173 18511
250 1 . 1 1 51 51 GLN N N 49 125.499 125.499 125.005 0.494 18511
251 1 . 1 1 51 51 GLN HA H 49 4.961 4.961 5.055 -0.094 18511
252 1 . 1 1 51 51 GLN C C 49 174.427 174.427 174.755 -0.328 18511
253 1 . 1 1 51 51 GLN CA C 49 53.404 53.404 54.080 -0.676 18511
254 1 . 1 1 51 51 GLN CB C 49 30.133 30.133 31.812 -1.679 18511
255 1 . 1 1 51 51 GLN H H 49 9.086 9.086 8.103 0.983 18511
256 1 . 1 1 52 52 VAL N N 50 121.957 121.957 123.659 -1.702 18511
257 1 . 1 1 52 52 VAL HA H 50 5.185 5.185 5.053 0.132 18511
258 1 . 1 1 52 52 VAL C C 50 173.714 173.714 174.170 -0.456 18511
259 1 . 1 1 52 52 VAL CA C 50 60.314 60.314 60.698 -0.384 18511
260 1 . 1 1 52 52 VAL CB C 50 36.154 36.154 33.893 2.261 18511
261 1 . 1 1 52 52 VAL H H 50 8.687 8.687 8.571 0.116 18511
262 1 . 1 1 53 53 LEU N N 51 129.580 129.580 129.318 0.262 18511
263 1 . 1 1 53 53 LEU HA H 51 4.389 4.389 4.655 -0.266 18511
264 1 . 1 1 53 53 LEU C C 51 174.427 174.427 174.445 -0.018 18511
265 1 . 1 1 53 53 LEU CA C 51 53.536 53.536 52.633 0.903 18511
266 1 . 1 1 53 53 LEU CB C 51 42.056 42.056 42.581 -0.525 18511
267 1 . 1 1 53 53 LEU H H 51 8.380 8.380 7.802 0.578 18511
268 1 . 1 1 54 54 ARG N N 52 125.706 125.706 127.196 -1.490 18511
269 1 . 1 1 54 54 ARG HA H 52 5.255 5.255 4.947 0.308 18511
270 1 . 1 1 54 54 ARG C C 52 174.981 174.981 174.913 0.068 18511
271 1 . 1 1 54 54 ARG CA C 52 53.992 53.992 54.202 -0.210 18511
272 1 . 1 1 54 54 ARG CB C 52 33.497 33.497 32.116 1.381 18511
273 1 . 1 1 54 54 ARG H H 52 8.956 8.956 8.450 0.506 18511
274 1 . 1 1 55 55 VAL N N 53 123.212 123.212 125.474 -2.262 18511
275 1 . 1 1 55 55 VAL HA H 53 4.619 4.619 4.310 0.309 18511
276 1 . 1 1 55 55 VAL C C 53 175.124 175.124 175.138 -0.014 18511
277 1 . 1 1 55 55 VAL CA C 53 61.092 61.092 61.488 -0.396 18511
278 1 . 1 1 55 55 VAL CB C 53 34.527 34.527 31.885 2.642 18511
279 1 . 1 1 55 55 VAL H H 53 8.511 8.511 8.392 0.119 18511
280 1 . 1 1 56 56 GLN N N 54 126.653 126.653 128.835 -2.182 18511
281 1 . 1 1 56 56 GLN HA H 54 4.518 4.518 4.144 0.374 18511
282 1 . 1 1 56 56 GLN C C 54 176.296 176.296 176.223 0.073 18511
283 1 . 1 1 56 56 GLN CA C 54 55.022 55.022 56.449 -1.427 18511
284 1 . 1 1 56 56 GLN CB C 54 29.749 29.749 28.826 0.923 18511
285 1 . 1 1 56 56 GLN H H 54 8.509 8.509 8.154 0.355 18511
286 1 . 1 1 57 57 GLY N N 55 114.559 114.559 112.169 2.390 18511
287 1 . 1 1 57 57 GLY C C 55 174.585 174.585 173.496 1.089 18511
288 1 . 1 1 57 57 GLY CA C 55 47.319 47.319 44.887 2.432 18511
289 1 . 1 1 57 57 GLY H H 55 8.420 8.420 8.299 0.121 18511
290 1 . 1 1 58 58 ALA N N 56 122.793 122.793 122.936 -0.143 18511
291 1 . 1 1 58 58 ALA HA H 56 4.088 4.088 4.331 -0.243 18511
292 1 . 1 1 58 58 ALA C C 56 177.120 177.120 175.972 1.147 18511
293 1 . 1 1 58 58 ALA CA C 56 53.051 53.051 52.331 0.720 18511
294 1 . 1 1 58 58 ALA CB C 56 18.051 18.051 19.001 -0.950 18511
295 1 . 1 1 58 58 ALA H H 56 8.977 8.977 7.891 1.086 18511
296 1 . 1 1 59 59 ARG N N 57 122.118 122.118 124.170 -2.052 18511
297 1 . 1 1 59 59 ARG HA H 57 4.751 4.751 4.493 0.258 18511
298 1 . 1 1 59 59 ARG C C 57 177.231 177.231 176.284 0.947 18511
299 1 . 1 1 59 59 ARG CA C 57 53.236 53.236 56.840 -3.604 18511
300 1 . 1 1 59 59 ARG CB C 57 33.526 33.526 31.915 1.611 18511
301 1 . 1 1 59 59 ARG H H 57 9.709 9.709 8.710 0.998 18511
302 1 . 1 1 61 61 GLY C C 59 174.202 174.202 174.656 -0.454 18511
303 1 . 1 1 61 61 GLY CA C 59 45.899 45.899 45.688 0.211 18511
304 1 . 1 1 62 62 ASP N N 60 116.489 116.489 120.866 -4.377 18511
305 1 . 1 1 62 62 ASP HA H 60 4.671 4.671 4.611 0.060 18511
306 1 . 1 1 62 62 ASP C C 60 176.692 176.692 175.814 0.878 18511
307 1 . 1 1 62 62 ASP CA C 60 54.854 54.854 55.094 -0.240 18511
308 1 . 1 1 62 62 ASP CB C 60 41.130 41.130 41.090 0.040 18511
309 1 . 1 1 62 62 ASP H H 60 8.300 8.300 8.162 0.138 18511
310 1 . 1 1 63 63 ALA N N 61 122.793 122.793 122.133 0.660 18511
311 1 . 1 1 63 63 ALA HA H 61 4.105 4.105 4.500 -0.395 18511
312 1 . 1 1 63 63 ALA C C 61 176.581 176.581 176.755 -0.174 18511
313 1 . 1 1 63 63 ALA CA C 61 52.732 52.732 52.674 0.058 18511
314 1 . 1 1 63 63 ALA CB C 61 19.806 19.806 18.904 0.902 18511
315 1 . 1 1 63 63 ALA H H 61 7.551 7.551 7.518 0.033 18511
316 1 . 1 1 64 64 GLY N N 62 108.029 108.029 111.546 -3.517 18511
317 1 . 1 1 64 64 GLY C C 62 171.274 171.274 172.458 -1.184 18511
318 1 . 1 1 64 64 GLY CA C 62 44.826 44.826 45.037 -0.211 18511
319 1 . 1 1 64 64 GLY H H 62 8.720 8.720 8.042 0.678 18511
320 1 . 1 1 65 65 GLU N N 63 122.343 122.343 121.023 1.320 18511
321 1 . 1 1 65 65 GLU HA H 63 5.134 5.134 5.193 -0.059 18511
322 1 . 1 1 65 65 GLU C C 63 175.900 175.900 175.952 -0.052 18511
323 1 . 1 1 65 65 GLU CA C 63 55.309 55.309 55.754 -0.445 18511
324 1 . 1 1 65 65 GLU CB C 63 31.183 31.183 29.820 1.363 18511
325 1 . 1 1 65 65 GLU H H 63 9.038 9.038 8.585 0.453 18511
326 1 . 1 1 66 66 TYR N N 64 128.776 128.776 124.653 4.123 18511
327 1 . 1 1 66 66 TYR HA H 64 5.769 5.769 5.263 0.505 18511
328 1 . 1 1 66 66 TYR C C 64 174.157 174.157 175.745 -1.589 18511
329 1 . 1 1 66 66 TYR CA C 64 56.596 56.596 57.318 -0.722 18511
330 1 . 1 1 66 66 TYR CB C 64 40.857 40.857 40.071 0.786 18511
331 1 . 1 1 66 66 TYR H H 64 9.984 9.984 9.045 0.939 18511
332 1 . 1 1 67 67 LEU N N 65 125.560 125.560 125.618 -0.058 18511
333 1 . 1 1 67 67 LEU HA H 65 5.360 5.360 5.067 0.293 18511
334 1 . 1 1 67 67 LEU C C 65 174.617 174.617 175.888 -1.271 18511
335 1 . 1 1 67 67 LEU CA C 65 53.294 53.294 54.009 -0.715 18511
336 1 . 1 1 67 67 LEU CB C 65 46.296 46.296 43.568 2.728 18511
337 1 . 1 1 67 67 LEU H H 65 9.385 9.385 8.937 0.448 18511
338 1 . 1 1 68 68 CYS N N 66 127.135 127.135 128.808 -1.673 18511
339 1 . 1 1 68 68 CYS HA H 66 3.994 3.994 4.046 -0.052 18511
340 1 . 1 1 68 68 CYS C C 66 172.383 172.383 173.835 -1.452 18511
341 1 . 1 1 68 68 CYS CA C 66 57.828 57.828 57.310 0.518 18511
342 1 . 1 1 68 68 CYS CB C 66 26.535 26.535 26.322 0.213 18511
343 1 . 1 1 68 68 CYS H H 66 9.102 9.102 8.864 0.238 18511
344 1 . 1 1 69 69 ASP N N 67 129.420 129.420 129.001 0.419 18511
345 1 . 1 1 69 69 ASP HA H 67 4.953 4.953 4.700 0.253 18511
346 1 . 1 1 69 69 ASP C C 67 173.128 173.128 174.650 -1.522 18511
347 1 . 1 1 69 69 ASP CA C 67 53.459 53.459 53.644 -0.185 18511
348 1 . 1 1 69 69 ASP CB C 67 44.249 44.249 42.189 2.060 18511
349 1 . 1 1 69 69 ASP H H 67 9.296 9.296 8.291 1.005 18511
350 1 . 1 1 70 70 ALA N N 68 129.162 129.162 128.261 0.901 18511
351 1 . 1 1 70 70 ALA HA H 68 5.054 5.054 4.650 0.404 18511
352 1 . 1 1 70 70 ALA C C 68 175.108 175.108 176.072 -0.964 18511
353 1 . 1 1 70 70 ALA CA C 68 49.404 49.404 49.430 -0.026 18511
354 1 . 1 1 70 70 ALA CB C 68 21.402 21.402 19.257 2.145 18511
355 1 . 1 1 70 70 ALA H H 68 8.179 8.179 7.882 0.297 18511
356 1 . 1 1 71 71 PRO HA H 69 4.165 4.165 4.258 -0.094 18511
357 1 . 1 1 71 71 PRO C C 69 177.840 177.840 176.831 1.009 18511
358 1 . 1 1 71 71 PRO CA C 69 65.906 65.906 64.369 1.537 18511
359 1 . 1 1 71 71 PRO CB C 69 31.744 31.744 31.688 0.056 18511
360 1 . 1 1 72 72 GLN N N 70 113.851 113.851 117.639 -3.788 18511
361 1 . 1 1 72 72 GLN HA H 70 4.363 4.363 4.284 0.079 18511
362 1 . 1 1 72 72 GLN C C 70 174.744 174.744 174.900 -0.157 18511
363 1 . 1 1 72 72 GLN CA C 70 55.239 55.239 56.435 -1.196 18511
364 1 . 1 1 72 72 GLN CB C 70 29.355 29.355 29.206 0.149 18511
365 1 . 1 1 72 72 GLN H H 70 9.053 9.053 8.206 0.847 18511
366 1 . 1 1 73 73 ASP N N 71 118.081 118.081 119.236 -1.155 18511
367 1 . 1 1 73 73 ASP HA H 71 4.824 4.824 4.687 0.137 18511
368 1 . 1 1 73 73 ASP C C 71 173.017 173.017 174.580 -1.563 18511
369 1 . 1 1 73 73 ASP CA C 71 53.992 53.992 53.892 0.100 18511
370 1 . 1 1 73 73 ASP CB C 71 44.449 44.449 42.337 2.112 18511
371 1 . 1 1 73 73 ASP H H 71 7.336 7.336 7.970 -0.634 18511
372 1 . 1 1 74 74 SER N N 72 114.356 114.356 117.460 -3.104 18511
373 1 . 1 1 74 74 SER HA H 72 5.209 5.209 4.764 0.445 18511
374 1 . 1 1 74 74 SER C C 72 174.189 174.189 174.051 0.138 18511
375 1 . 1 1 74 74 SER CA C 72 57.604 57.604 58.088 -0.484 18511
376 1 . 1 1 74 74 SER CB C 72 64.697 64.697 64.385 0.312 18511
377 1 . 1 1 74 74 SER H H 72 8.161 8.161 8.367 -0.206 18511
378 1 . 1 1 75 75 ARG N N 73 122.793 122.793 125.338 -2.545 18511
379 1 . 1 1 75 75 ARG HA H 73 4.696 4.696 4.665 0.031 18511
380 1 . 1 1 75 75 ARG C C 73 173.460 173.460 174.582 -1.122 18511
381 1 . 1 1 75 75 ARG CA C 73 53.404 53.404 54.476 -1.072 18511
382 1 . 1 1 75 75 ARG CB C 73 33.600 33.600 32.706 0.894 18511
383 1 . 1 1 75 75 ARG H H 73 8.592 8.592 8.437 0.155 18511
384 1 . 1 1 76 76 ILE N N 74 122.343 122.343 124.042 -1.699 18511
385 1 . 1 1 76 76 ILE HA H 74 5.154 5.154 4.515 0.639 18511
386 1 . 1 1 76 76 ILE C C 74 175.266 175.266 175.243 0.023 18511
387 1 . 1 1 76 76 ILE CA C 74 59.620 59.620 60.693 -1.073 18511
388 1 . 1 1 76 76 ILE CB C 74 40.889 40.889 38.998 1.891 18511
389 1 . 1 1 76 76 ILE H H 74 8.262 8.262 8.459 -0.197 18511
390 1 . 1 1 77 77 PHE N N 75 126.428 126.428 126.458 -0.030 18511
391 1 . 1 1 77 77 PHE HA H 75 5.524 5.524 5.178 0.346 18511
392 1 . 1 1 77 77 PHE C C 75 174.680 174.680 175.559 -0.879 18511
393 1 . 1 1 77 77 PHE CA C 75 55.570 55.570 56.210 -0.640 18511
394 1 . 1 1 77 77 PHE CB C 75 42.186 42.186 40.313 1.873 18511
395 1 . 1 1 77 77 PHE H H 75 9.932 9.932 9.016 0.916 18511
396 1 . 1 1 78 78 LEU N N 76 126.068 126.068 126.416 -0.348 18511
397 1 . 1 1 78 78 LEU HA H 76 5.124 5.124 4.519 0.605 18511
398 1 . 1 1 78 78 LEU C C 76 176.138 176.138 175.984 0.154 18511
399 1 . 1 1 78 78 LEU CA C 76 53.799 53.799 54.636 -0.837 18511
400 1 . 1 1 78 78 LEU CB C 76 41.851 41.851 41.240 0.611 18511
401 1 . 1 1 78 78 LEU H H 76 9.091 9.091 8.782 0.309 18511
402 1 . 1 1 79 79 VAL N N 77 129.130 129.130 126.646 2.484 18511
403 1 . 1 1 79 79 VAL HA H 77 5.109 5.109 4.963 0.146 18511
404 1 . 1 1 79 79 VAL C C 77 176.597 176.597 175.772 0.825 18511
405 1 . 1 1 79 79 VAL CA C 77 61.384 61.384 61.397 -0.013 18511
406 1 . 1 1 79 79 VAL CB C 77 33.846 33.846 32.717 1.129 18511
407 1 . 1 1 79 79 VAL H H 77 9.408 9.408 8.232 1.176 18511
408 1 . 1 1 80 80 SER N N 78 124.016 124.016 123.782 0.234 18511
409 1 . 1 1 80 80 SER HA H 78 4.908 4.908 4.805 0.103 18511
410 1 . 1 1 80 80 SER C C 78 172.431 172.431 173.401 -0.970 18511
411 1 . 1 1 80 80 SER CA C 78 56.344 56.344 56.863 -0.518 18511
412 1 . 1 1 80 80 SER CB C 78 65.164 65.164 64.274 0.890 18511
413 1 . 1 1 80 80 SER H H 78 9.125 9.125 8.413 0.712 18511
414 1 . 1 1 81 81 VAL N N 79 124.402 124.402 127.478 -3.076 18511
415 1 . 1 1 81 81 VAL HA H 79 4.535 4.535 4.491 0.044 18511
416 1 . 1 1 81 81 VAL C C 79 174.744 174.744 176.006 -1.262 18511
417 1 . 1 1 81 81 VAL CA C 79 61.028 61.028 62.224 -1.196 18511
418 1 . 1 1 81 81 VAL CB C 79 32.741 32.741 30.814 1.927 18511
419 1 . 1 1 81 81 VAL H H 79 8.638 8.638 8.870 -0.232 18511
420 1 . 1 1 82 82 GLU N N 80 124.145 124.145 125.837 -1.692 18511
421 1 . 1 1 82 82 GLU HA H 80 4.561 4.561 4.574 -0.013 18511
422 1 . 1 1 82 82 GLU C C 80 174.839 174.839 175.183 -0.344 18511
423 1 . 1 1 82 82 GLU CA C 80 54.664 54.664 55.164 -0.500 18511
424 1 . 1 1 82 82 GLU CB C 80 32.237 32.237 31.785 0.452 18511
425 1 . 1 1 82 82 GLU H H 80 8.281 8.281 8.592 -0.311 18511
426 1 . 1 1 83 83 GLU N N 81 123.244 123.244 120.077 3.167 18511
427 1 . 1 1 83 83 GLU HA H 81 4.439 4.439 4.286 0.153 18511
428 1 . 1 1 83 83 GLU C C 81 173.841 173.841 174.437 -0.596 18511
429 1 . 1 1 83 83 GLU CA C 81 54.611 54.611 55.293 -0.682 18511
430 1 . 1 1 83 83 GLU CB C 81 29.046 29.046 29.171 -0.125 18511
431 1 . 1 1 83 83 GLU H H 81 8.656 8.656 8.497 0.159 18511
stop_
save_