data_18221
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18221
_Entry.PDB_ID 2LOQ
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 18221
_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 11 11 GLY N N 2 109.366 109.366 111.037 -1.671 18221
2 1 1 . 1 1 11 11 GLY C C 2 174.543 174.543 173.600 0.943 18221
3 1 1 . 1 1 11 11 GLY CA C 2 45.695 45.695 44.334 1.361 18221
4 1 1 . 1 1 11 11 GLY H H 2 8.271 8.271 8.481 -0.210 18221
5 1 1 . 1 1 12 12 LYS N N 3 121.129 121.129 122.161 -1.032 18221
6 1 1 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.407 -0.275 18221
7 1 1 . 1 1 12 12 LYS C C 3 177.234 177.234 175.865 1.369 18221
8 1 1 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.266 0.546 18221
9 1 1 . 1 1 12 12 LYS CB C 3 31.846 31.846 32.650 -0.804 18221
10 1 1 . 1 1 12 12 LYS H H 3 8.057 8.057 8.378 -0.321 18221
11 1 1 . 1 1 13 13 GLU N N 4 120.318 120.318 121.031 -0.713 18221
12 1 1 . 1 1 13 13 GLU HA H 4 4.155 4.155 3.923 0.232 18221
13 1 1 . 1 1 13 13 GLU C C 4 176.857 176.857 175.092 1.765 18221
14 1 1 . 1 1 13 13 GLU CA C 4 56.871 56.871 57.016 -0.145 18221
15 1 1 . 1 1 13 13 GLU CB C 4 28.388 28.388 29.307 -0.919 18221
16 1 1 . 1 1 13 13 GLU H H 4 8.398 8.398 8.640 -0.242 18221
17 1 1 . 1 1 14 14 SER N N 5 115.504 115.504 117.455 -1.951 18221
18 1 1 . 1 1 14 14 SER HA H 5 3.843 3.843 4.572 -0.729 18221
19 1 1 . 1 1 14 14 SER C C 5 175.337 175.337 175.555 -0.218 18221
20 1 1 . 1 1 14 14 SER CA C 5 58.524 58.524 57.625 0.899 18221
21 1 1 . 1 1 14 14 SER CB C 5 63.360 63.360 63.480 -0.120 18221
22 1 1 . 1 1 14 14 SER H H 5 8.089 8.089 8.181 -0.092 18221
23 1 1 . 1 1 15 15 GLY N N 6 110.761 110.761 114.854 -4.093 18221
24 1 1 . 1 1 15 15 GLY C C 6 174.581 174.581 174.624 -0.043 18221
25 1 1 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.468 0.098 18221
26 1 1 . 1 1 15 15 GLY H H 6 8.197 8.197 8.782 -0.585 18221
27 1 1 . 1 1 16 16 TRP N N 7 121.800 121.800 120.936 0.864 18221
28 1 1 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.324 0.236 18221
29 1 1 . 1 1 16 16 TRP C C 7 176.920 176.920 175.481 1.439 18221
30 1 1 . 1 1 16 16 TRP CA C 7 58.081 58.081 57.017 1.064 18221
31 1 1 . 1 1 16 16 TRP CB C 7 28.679 28.679 29.731 -1.052 18221
32 1 1 . 1 1 16 16 TRP H H 7 8.184 8.184 7.900 0.284 18221
33 1 1 . 1 1 17 17 ASP N N 8 121.132 121.132 121.284 -0.152 18221
34 1 1 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.507 -0.112 18221
35 1 1 . 1 1 17 17 ASP C C 8 176.941 176.941 176.118 0.823 18221
36 1 1 . 1 1 17 17 ASP CA C 8 56.244 56.244 54.668 1.576 18221
37 1 1 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.209 -1.264 18221
38 1 1 . 1 1 17 17 ASP H H 8 8.332 8.332 8.226 0.106 18221
39 1 1 . 1 1 18 18 SER N N 9 116.148 116.148 117.453 -1.305 18221
40 1 1 . 1 1 18 18 SER HA H 9 3.861 3.861 4.693 -0.832 18221
41 1 1 . 1 1 18 18 SER CA C 9 60.081 60.081 57.783 2.298 18221
42 1 1 . 1 1 18 18 SER CB C 9 62.255 62.255 65.093 -2.838 18221
43 1 1 . 1 1 18 18 SER H H 9 8.129 8.129 8.242 -0.113 18221
44 1 1 . 1 1 19 19 GLY N N 10 110.747 110.747 110.682 0.065 18221
45 1 1 . 1 1 19 19 GLY C C 10 174.682 174.682 175.768 -1.086 18221
46 1 1 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.501 1.099 18221
47 1 1 . 1 1 19 19 GLY H H 10 8.216 8.216 8.337 -0.121 18221
48 1 1 . 1 1 20 20 ARG N N 11 121.405 121.405 121.213 0.192 18221
49 1 1 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.229 -0.372 18221
50 1 1 . 1 1 20 20 ARG C C 11 178.328 178.328 178.512 -0.184 18221
51 1 1 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.434 0.651 18221
52 1 1 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.263 -1.216 18221
53 1 1 . 1 1 20 20 ARG H H 11 8.158 8.158 8.554 -0.396 18221
54 1 1 . 1 1 21 21 ALA N N 12 122.167 122.167 122.482 -0.315 18221
55 1 1 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.083 0.017 18221
56 1 1 . 1 1 21 21 ALA C C 12 180.129 180.129 179.355 0.774 18221
57 1 1 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.552 -0.160 18221
58 1 1 . 1 1 21 21 ALA CB C 12 17.414 17.414 18.019 -0.605 18221
59 1 1 . 1 1 21 21 ALA H H 12 7.963 7.963 8.419 -0.456 18221
60 1 1 . 1 1 22 22 ALA N N 13 122.150 122.150 121.773 0.377 18221
61 1 1 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.886 0.151 18221
62 1 1 . 1 1 22 22 ALA C C 13 179.095 179.095 179.753 -0.658 18221
63 1 1 . 1 1 22 22 ALA CA C 13 54.716 54.716 55.108 -0.392 18221
64 1 1 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.285 -0.724 18221
65 1 1 . 1 1 22 22 ALA H H 13 7.881 7.881 8.190 -0.309 18221
66 1 1 . 1 1 23 23 VAL N N 14 117.107 117.107 118.749 -1.642 18221
67 1 1 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.579 -0.099 18221
68 1 1 . 1 1 23 23 VAL C C 14 177.586 177.586 178.224 -0.638 18221
69 1 1 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.312 0.886 18221
70 1 1 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.613 -0.093 18221
71 1 1 . 1 1 23 23 VAL H H 14 7.888 7.888 8.180 -0.292 18221
72 1 1 . 1 1 24 24 ALA N N 15 121.333 121.333 121.773 -0.440 18221
73 1 1 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.954 0.027 18221
74 1 1 . 1 1 24 24 ALA C C 15 180.373 180.373 179.374 0.999 18221
75 1 1 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.205 -0.194 18221
76 1 1 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.796 -0.544 18221
77 1 1 . 1 1 24 24 ALA H H 15 8.037 8.037 7.563 0.474 18221
78 1 1 . 1 1 25 25 ALA N N 16 121.158 121.158 119.547 1.611 18221
79 1 1 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.084 0.062 18221
80 1 1 . 1 1 25 25 ALA C C 16 179.828 179.828 178.875 0.953 18221
81 1 1 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.701 -0.250 18221
82 1 1 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.382 -0.895 18221
83 1 1 . 1 1 25 25 ALA H H 16 7.819 7.819 7.861 -0.042 18221
84 1 1 . 1 1 26 26 VAL N N 17 118.417 118.417 116.237 2.180 18221
85 1 1 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.871 -0.093 18221
86 1 1 . 1 1 26 26 VAL C C 17 178.020 178.020 177.366 0.654 18221
87 1 1 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.650 1.929 18221
88 1 1 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.552 -0.467 18221
89 1 1 . 1 1 26 26 VAL H H 17 7.848 7.848 7.224 0.624 18221
90 1 1 . 1 1 27 27 VAL N N 18 119.240 119.240 119.807 -0.567 18221
91 1 1 . 1 1 27 27 VAL C C 18 177.719 177.719 176.813 0.906 18221
92 1 1 . 1 1 27 27 VAL CA C 18 65.991 65.991 63.741 2.250 18221
93 1 1 . 1 1 27 27 VAL CB C 18 30.187 30.187 31.764 -1.577 18221
94 1 1 . 1 1 27 27 VAL H H 18 8.377 8.377 7.679 0.698 18221
95 1 1 . 1 1 28 28 GLY N N 19 106.009 106.009 106.825 -0.816 18221
96 1 1 . 1 1 28 28 GLY C C 19 176.212 176.212 174.594 1.618 18221
97 1 1 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.890 -0.646 18221
98 1 1 . 1 1 28 28 GLY H H 19 8.122 8.122 7.679 0.443 18221
99 1 1 . 1 1 29 29 GLY N N 20 110.216 110.216 112.619 -2.403 18221
100 1 1 . 1 1 29 29 GLY C C 20 174.097 174.097 175.300 -1.203 18221
101 1 1 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.614 1.720 18221
102 1 1 . 1 1 29 29 GLY H H 20 8.039 8.039 8.088 -0.049 18221
103 1 1 . 1 1 30 30 VAL N N 21 121.188 121.188 118.960 2.228 18221
104 1 1 . 1 1 30 30 VAL C C 21 177.073 177.073 177.118 -0.045 18221
105 1 1 . 1 1 30 30 VAL CA C 21 62.574 62.574 65.543 -2.969 18221
106 1 1 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.159 -0.369 18221
107 1 1 . 1 1 30 30 VAL H H 21 7.983 7.983 7.773 0.210 18221
108 1 1 . 1 1 32 32 ALA N N 23 125.091 125.091 121.186 3.905 18221
109 1 1 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.052 0.208 18221
110 1 1 . 1 1 32 32 ALA C C 23 179.523 179.523 180.251 -0.728 18221
111 1 1 . 1 1 32 32 ALA CA C 23 53.683 53.683 54.956 -1.272 18221
112 1 1 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.163 -1.780 18221
113 1 1 . 1 1 32 32 ALA H H 23 8.036 8.036 8.109 -0.073 18221
114 1 1 . 1 1 33 33 VAL N N 24 118.793 118.793 117.390 1.403 18221
115 1 1 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.636 0.072 18221
116 1 1 . 1 1 33 33 VAL C C 24 177.901 177.901 178.191 -0.290 18221
117 1 1 . 1 1 33 33 VAL CA C 24 65.430 65.430 66.408 -0.978 18221
118 1 1 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.107 0.211 18221
119 1 1 . 1 1 33 33 VAL H H 24 8.195 8.195 8.235 -0.040 18221
120 1 1 . 1 1 34 34 GLY N N 25 108.367 108.367 108.361 0.006 18221
121 1 1 . 1 1 34 34 GLY C C 25 175.424 175.424 175.589 -0.165 18221
122 1 1 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.571 -0.237 18221
123 1 1 . 1 1 34 34 GLY H H 25 8.651 8.651 8.382 0.269 18221
124 1 1 . 1 1 35 35 THR N N 26 116.448 116.448 116.394 0.054 18221
125 1 1 . 1 1 35 35 THR C C 26 176.843 176.843 177.096 -0.253 18221
126 1 1 . 1 1 35 35 THR CA C 26 65.962 65.962 66.000 -0.038 18221
127 1 1 . 1 1 35 35 THR CB C 26 68.414 68.414 68.765 -0.351 18221
128 1 1 . 1 1 35 35 THR H H 26 7.975 7.975 8.167 -0.192 18221
129 1 1 . 1 1 36 36 VAL N N 27 122.810 122.810 122.646 0.164 18221
130 1 1 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.606 0.113 18221
131 1 1 . 1 1 36 36 VAL C C 27 177.618 177.618 177.828 -0.210 18221
132 1 1 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.557 -0.831 18221
133 1 1 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.677 -1.010 18221
134 1 1 . 1 1 36 36 VAL H H 27 7.559 7.559 8.010 -0.451 18221
135 1 1 . 1 1 37 37 LEU N N 28 119.566 119.566 120.530 -0.964 18221
136 1 1 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.935 0.018 18221
137 1 1 . 1 1 37 37 LEU C C 28 179.666 179.666 178.416 1.250 18221
138 1 1 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.612 -0.767 18221
139 1 1 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.856 -1.690 18221
140 1 1 . 1 1 37 37 LEU H H 28 8.086 8.086 7.761 0.325 18221
141 1 1 . 1 1 38 38 VAL N N 29 119.468 119.468 118.326 1.142 18221
142 1 1 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.485 0.168 18221
143 1 1 . 1 1 38 38 VAL C C 29 178.639 178.639 177.860 0.779 18221
144 1 1 . 1 1 38 38 VAL CA C 29 65.473 65.473 65.797 -0.324 18221
145 1 1 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.637 -1.028 18221
146 1 1 . 1 1 38 38 VAL H H 29 8.066 8.066 8.240 -0.174 18221
147 1 1 . 1 1 39 39 ALA N N 30 124.255 124.255 122.448 1.807 18221
148 1 1 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.010 0.155 18221
149 1 1 . 1 1 39 39 ALA C C 30 180.303 180.303 179.193 1.110 18221
150 1 1 . 1 1 39 39 ALA CA C 30 54.834 54.834 54.977 -0.143 18221
151 1 1 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.501 -0.793 18221
152 1 1 . 1 1 39 39 ALA H H 30 7.688 7.688 7.866 -0.178 18221
153 1 1 . 1 1 40 40 LEU N N 31 118.268 118.268 118.994 -0.726 18221
154 1 1 . 1 1 40 40 LEU HA H 31 4.141 4.141 3.898 0.243 18221
155 1 1 . 1 1 40 40 LEU C C 31 179.271 179.271 179.352 -0.081 18221
156 1 1 . 1 1 40 40 LEU CA C 31 57.078 57.078 58.385 -1.307 18221
157 1 1 . 1 1 40 40 LEU CB C 31 40.902 40.902 41.916 -1.014 18221
158 1 1 . 1 1 40 40 LEU H H 31 8.326 8.326 8.348 -0.022 18221
159 1 1 . 1 1 41 41 SER N N 32 114.984 114.984 113.895 1.089 18221
160 1 1 . 1 1 41 41 SER HA H 32 3.952 3.952 4.108 -0.156 18221
161 1 1 . 1 1 41 41 SER C C 32 176.284 176.284 175.512 0.772 18221
162 1 1 . 1 1 41 41 SER CA C 32 60.885 60.885 61.154 -0.269 18221
163 1 1 . 1 1 41 41 SER CB C 32 62.410 62.410 62.900 -0.490 18221
164 1 1 . 1 1 41 41 SER H H 32 8.062 8.062 8.134 -0.072 18221
165 1 1 . 1 1 42 42 ALA N N 33 124.588 124.588 123.899 0.689 18221
166 1 1 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.512 -0.287 18221
167 1 1 . 1 1 42 42 ALA C C 33 179.033 179.033 177.173 1.860 18221
168 1 1 . 1 1 42 42 ALA CA C 33 53.713 53.713 50.912 2.801 18221
169 1 1 . 1 1 42 42 ALA CB C 33 17.929 17.929 17.362 0.567 18221
170 1 1 . 1 1 42 42 ALA H H 33 7.813 7.813 7.764 0.049 18221
171 1 1 . 1 1 43 43 MET N N 34 116.808 116.808 117.892 -1.084 18221
172 1 1 . 1 1 43 43 MET HA H 34 4.285 4.285 4.682 -0.397 18221
173 1 1 . 1 1 43 43 MET C C 34 176.807 176.807 176.337 0.470 18221
174 1 1 . 1 1 43 43 MET CA C 34 56.576 56.576 56.646 -0.070 18221
175 1 1 . 1 1 43 43 MET CB C 34 32.435 32.435 32.368 0.067 18221
176 1 1 . 1 1 43 43 MET H H 34 7.691 7.691 7.697 -0.006 18221
177 1 1 . 1 1 44 44 GLY N N 35 107.020 107.020 108.355 -1.335 18221
178 1 1 . 1 1 44 44 GLY C C 35 174.493 174.493 173.044 1.449 18221
179 1 1 . 1 1 44 44 GLY CA C 35 45.065 45.065 44.860 0.205 18221
180 1 1 . 1 1 44 44 GLY H H 35 7.793 7.793 7.761 0.032 18221
181 1 1 . 1 1 45 45 PHE N N 36 120.285 120.285 118.106 2.179 18221
182 1 1 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.694 -0.187 18221
183 1 1 . 1 1 45 45 PHE C C 36 176.876 176.876 174.401 2.475 18221
184 1 1 . 1 1 45 45 PHE CA C 36 58.937 58.937 57.427 1.510 18221
185 1 1 . 1 1 45 45 PHE CB C 36 38.178 38.178 39.810 -1.632 18221
186 1 1 . 1 1 45 45 PHE H H 36 8.215 8.215 8.241 -0.026 18221
187 1 1 . 1 1 46 46 THR N N 37 114.008 114.008 116.491 -2.483 18221
188 1 1 . 1 1 46 46 THR HA H 37 4.080 4.080 4.263 -0.183 18221
189 1 1 . 1 1 46 46 THR C C 37 175.751 175.751 173.792 1.959 18221
190 1 1 . 1 1 46 46 THR CA C 37 64.220 64.220 60.887 3.333 18221
191 1 1 . 1 1 46 46 THR CB C 37 68.514 68.514 68.849 -0.335 18221
192 1 1 . 1 1 46 46 THR H H 37 8.111 8.111 7.354 0.757 18221
193 1 1 . 1 1 47 47 SER N N 38 116.646 116.646 122.799 -6.153 18221
194 1 1 . 1 1 47 47 SER HA H 38 3.918 3.918 4.378 -0.460 18221
195 1 1 . 1 1 47 47 SER C C 38 176.744 176.744 174.955 1.789 18221
196 1 1 . 1 1 47 47 SER CA C 38 59.911 59.911 59.121 0.790 18221
197 1 1 . 1 1 47 47 SER CB C 38 62.624 62.624 63.261 -0.637 18221
198 1 1 . 1 1 47 47 SER H H 38 8.079 8.079 8.597 -0.518 18221
199 1 1 . 1 1 48 48 VAL N N 39 121.929 121.929 124.092 -2.163 18221
200 1 1 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.677 0.232 18221
201 1 1 . 1 1 48 48 VAL C C 39 177.033 177.033 177.869 -0.836 18221
202 1 1 . 1 1 48 48 VAL CA C 39 64.988 64.988 66.134 -1.146 18221
203 1 1 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.807 -1.140 18221
204 1 1 . 1 1 48 48 VAL H H 39 7.985 7.985 8.084 -0.099 18221
205 1 1 . 1 1 49 49 GLY N N 40 108.633 108.633 107.659 0.974 18221
206 1 1 . 1 1 49 49 GLY C C 40 176.038 176.038 176.534 -0.496 18221
207 1 1 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.424 -0.559 18221
208 1 1 . 1 1 49 49 GLY H H 40 8.267 8.267 8.452 -0.185 18221
209 1 1 . 1 1 50 50 ILE N N 41 122.466 122.466 122.401 0.065 18221
210 1 1 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.713 0.158 18221
211 1 1 . 1 1 50 50 ILE C C 41 178.363 178.363 177.891 0.472 18221
212 1 1 . 1 1 50 50 ILE CA C 41 63.515 63.515 62.930 0.585 18221
213 1 1 . 1 1 50 50 ILE CB C 41 37.238 37.238 36.709 0.529 18221
214 1 1 . 1 1 50 50 ILE H H 41 7.865 7.865 7.880 -0.015 18221
215 1 1 . 1 1 51 51 ALA N N 42 125.064 125.064 121.562 3.502 18221
216 1 1 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.967 0.132 18221
217 1 1 . 1 1 51 51 ALA C C 42 179.385 179.385 179.606 -0.221 18221
218 1 1 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.172 -0.692 18221
219 1 1 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.968 -0.481 18221
220 1 1 . 1 1 51 51 ALA H H 42 7.930 7.930 8.187 -0.257 18221
221 1 1 . 1 1 52 52 ALA N N 43 120.594 120.594 120.351 0.243 18221
222 1 1 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.083 -0.146 18221
223 1 1 . 1 1 52 52 ALA C C 43 179.088 179.088 179.666 -0.578 18221
224 1 1 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.716 0.384 18221
225 1 1 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.095 -0.460 18221
226 1 1 . 1 1 52 52 ALA H H 43 8.639 8.639 8.143 0.495 18221
227 1 1 . 1 1 53 53 SER N N 44 113.012 113.012 115.378 -2.366 18221
228 1 1 . 1 1 53 53 SER HA H 44 3.966 3.966 4.181 -0.215 18221
229 1 1 . 1 1 53 53 SER C C 44 176.898 176.898 176.652 0.246 18221
230 1 1 . 1 1 53 53 SER CA C 44 61.139 61.139 61.027 0.112 18221
231 1 1 . 1 1 53 53 SER CB C 44 62.347 62.347 62.875 -0.528 18221
232 1 1 . 1 1 53 53 SER H H 44 8.193 8.193 8.094 0.099 18221
233 1 1 . 1 1 54 54 SER N N 45 118.714 118.714 117.954 0.760 18221
234 1 1 . 1 1 54 54 SER HA H 45 3.975 3.975 4.080 -0.105 18221
235 1 1 . 1 1 54 54 SER C C 45 177.131 177.131 176.670 0.461 18221
236 1 1 . 1 1 54 54 SER CA C 45 61.210 61.210 61.547 -0.337 18221
237 1 1 . 1 1 54 54 SER CB C 45 62.255 62.255 62.884 -0.629 18221
238 1 1 . 1 1 54 54 SER H H 45 7.944 7.944 7.978 -0.034 18221
239 1 1 . 1 1 55 55 ILE N N 46 122.912 122.912 121.087 1.825 18221
240 1 1 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.686 0.071 18221
241 1 1 . 1 1 55 55 ILE C C 46 177.813 177.813 176.573 1.240 18221
242 1 1 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.536 -0.345 18221
243 1 1 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.956 -1.030 18221
244 1 1 . 1 1 55 55 ILE H H 46 8.028 8.028 7.956 0.072 18221
245 1 1 . 1 1 56 56 ALA N N 47 122.990 122.990 120.353 2.637 18221
246 1 1 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.045 -0.089 18221
247 1 1 . 1 1 56 56 ALA C C 47 180.294 180.294 178.852 1.442 18221
248 1 1 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.523 -0.185 18221
249 1 1 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.810 -1.108 18221
250 1 1 . 1 1 56 56 ALA H H 47 8.333 8.333 7.719 0.614 18221
251 1 1 . 1 1 57 57 ALA N N 48 121.988 121.988 121.782 0.206 18221
252 1 1 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.130 -0.062 18221
253 1 1 . 1 1 57 57 ALA CA C 48 54.421 54.421 53.206 1.215 18221
254 1 1 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.473 -1.771 18221
255 1 1 . 1 1 57 57 ALA H H 48 7.879 7.879 7.692 0.187 18221
256 1 1 . 1 1 58 58 LYS N N 49 119.094 119.094 118.489 0.605 18221
257 1 1 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.976 0.170 18221
258 1 1 . 1 1 58 58 LYS C C 49 179.649 179.649 175.589 4.060 18221
259 1 1 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.804 0.353 18221
260 1 1 . 1 1 58 58 LYS CB C 49 31.330 31.330 32.144 -0.814 18221
261 1 1 . 1 1 58 58 LYS H H 49 7.727 7.727 8.146 -0.419 18221
262 1 1 . 1 1 59 59 MET N N 50 120.498 120.498 121.134 -0.636 18221
263 1 1 . 1 1 59 59 MET HA H 50 4.156 4.156 4.176 -0.020 18221
264 1 1 . 1 1 59 59 MET C C 50 177.949 177.949 175.323 2.626 18221
265 1 1 . 1 1 59 59 MET CA C 50 57.136 57.136 56.599 0.537 18221
266 1 1 . 1 1 59 59 MET CB C 50 31.922 31.922 32.184 -0.262 18221
267 1 1 . 1 1 59 59 MET H H 50 8.395 8.395 8.619 -0.224 18221
268 1 1 . 1 1 60 60 MET N N 51 117.689 117.689 122.936 -5.247 18221
269 1 1 . 1 1 60 60 MET HA H 51 4.222 4.222 4.408 -0.186 18221
270 1 1 . 1 1 60 60 MET C C 51 177.674 177.674 175.661 2.013 18221
271 1 1 . 1 1 60 60 MET CA C 51 57.638 57.638 56.834 0.804 18221
272 1 1 . 1 1 60 60 MET CB C 51 31.785 31.785 33.423 -1.638 18221
273 1 1 . 1 1 60 60 MET H H 51 8.234 8.234 8.315 -0.081 18221
274 1 1 . 1 1 61 61 SER N N 52 114.385 114.385 112.904 1.481 18221
275 1 1 . 1 1 61 61 SER HA H 52 4.001 4.001 4.438 -0.437 18221
276 1 1 . 1 1 61 61 SER C C 52 176.079 176.079 173.814 2.265 18221
277 1 1 . 1 1 61 61 SER CA C 52 59.911 59.911 58.910 1.000 18221
278 1 1 . 1 1 61 61 SER CB C 52 62.624 62.624 63.762 -1.138 18221
279 1 1 . 1 1 61 61 SER H H 52 7.893 7.893 7.915 -0.022 18221
280 1 1 . 1 1 62 62 THR N N 53 117.304 117.304 117.348 -0.044 18221
281 1 1 . 1 1 62 62 THR HA H 53 4.104 4.104 4.115 -0.011 18221
282 1 1 . 1 1 62 62 THR C C 53 175.436 175.436 172.347 3.089 18221
283 1 1 . 1 1 62 62 THR CA C 53 64.220 64.220 62.716 1.504 18221
284 1 1 . 1 1 62 62 THR CB C 53 68.514 68.514 68.587 -0.073 18221
285 1 1 . 1 1 62 62 THR H H 53 7.794 7.794 8.032 -0.238 18221
286 1 1 . 1 1 63 63 ALA N N 54 125.382 125.382 120.618 4.764 18221
287 1 1 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.682 -0.588 18221
288 1 1 . 1 1 63 63 ALA C C 54 178.328 178.328 175.461 2.867 18221
289 1 1 . 1 1 63 63 ALA CA C 54 54.096 54.096 51.337 2.759 18221
290 1 1 . 1 1 63 63 ALA CB C 54 17.708 17.708 20.935 -3.227 18221
291 1 1 . 1 1 63 63 ALA H H 54 8.204 8.204 7.690 0.514 18221
292 1 1 . 1 1 64 64 ALA N N 55 119.929 119.929 123.466 -3.537 18221
293 1 1 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.640 -0.515 18221
294 1 1 . 1 1 64 64 ALA C C 55 179.183 179.183 177.072 2.111 18221
295 1 1 . 1 1 64 64 ALA CA C 55 54.037 54.037 51.077 2.960 18221
296 1 1 . 1 1 64 64 ALA CB C 55 17.708 17.708 21.015 -3.307 18221
297 1 1 . 1 1 64 64 ALA H H 55 7.951 7.951 8.108 -0.157 18221
298 1 1 . 1 1 65 65 ILE N N 56 117.016 117.016 122.625 -5.609 18221
299 1 1 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.079 -0.129 18221
300 1 1 . 1 1 65 65 ILE C C 56 177.222 177.222 175.516 1.706 18221
301 1 1 . 1 1 65 65 ILE CA C 56 62.184 62.184 62.182 0.002 18221
302 1 1 . 1 1 65 65 ILE CB C 56 37.073 37.073 35.634 1.439 18221
303 1 1 . 1 1 65 65 ILE H H 56 7.561 7.561 8.854 -1.293 18221
304 1 1 . 1 1 66 66 ALA N N 57 124.191 124.191 129.469 -5.278 18221
305 1 1 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.294 -0.117 18221
306 1 1 . 1 1 66 66 ALA C C 57 178.190 178.190 177.802 0.388 18221
307 1 1 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.742 0.793 18221
308 1 1 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.757 -1.828 18221
309 1 1 . 1 1 66 66 ALA H H 57 7.982 7.982 8.240 -0.258 18221
310 1 1 . 1 1 67 67 ASN N N 58 116.132 116.132 118.277 -2.145 18221
311 1 1 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.799 -0.126 18221
312 1 1 . 1 1 67 67 ASN C C 58 176.344 176.344 176.569 -0.225 18221
313 1 1 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.898 -0.421 18221
314 1 1 . 1 1 67 67 ASN CB C 58 38.472 38.472 40.009 -1.537 18221
315 1 1 . 1 1 67 67 ASN H H 58 8.113 8.113 8.693 -0.580 18221
316 1 1 . 1 1 68 68 GLY N N 59 108.808 108.808 107.529 1.279 18221
317 1 1 . 1 1 68 68 GLY C C 59 174.958 174.958 173.237 1.721 18221
318 1 1 . 1 1 68 68 GLY CA C 59 45.655 45.655 45.203 0.452 18221
319 1 1 . 1 1 68 68 GLY H H 59 8.152 8.152 7.935 0.217 18221
320 1 1 . 1 1 69 69 GLY N N 60 108.832 108.832 108.447 0.385 18221
321 1 1 . 1 1 69 69 GLY C C 60 174.631 174.631 174.183 0.448 18221
322 1 1 . 1 1 69 69 GLY CA C 60 45.419 45.419 45.666 -0.247 18221
323 1 1 . 1 1 69 69 GLY H H 60 8.218 8.218 7.729 0.489 18221
324 1 1 . 1 1 70 70 GLY N N 61 108.966 108.966 109.861 -0.895 18221
325 1 1 . 1 1 70 70 GLY C C 61 174.594 174.594 174.501 0.093 18221
326 1 1 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.883 0.477 18221
327 1 1 . 1 1 70 70 GLY H H 61 8.175 8.175 8.449 -0.274 18221
328 1 1 . 1 1 71 71 VAL N N 62 120.209 120.209 118.008 2.201 18221
329 1 1 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.665 0.341 18221
330 1 1 . 1 1 71 71 VAL C C 62 176.077 176.077 175.037 1.040 18221
331 1 1 . 1 1 71 71 VAL CA C 62 62.390 62.390 62.882 -0.492 18221
332 1 1 . 1 1 71 71 VAL CB C 62 31.698 31.698 31.247 0.451 18221
333 1 1 . 1 1 71 71 VAL H H 62 7.882 7.882 8.127 -0.245 18221
334 1 1 . 1 1 72 72 ALA N N 63 126.966 126.966 126.782 0.184 18221
335 1 1 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.122 -0.096 18221
336 1 1 . 1 1 72 72 ALA C C 63 178.064 178.064 175.444 2.620 18221
337 1 1 . 1 1 72 72 ALA CA C 63 52.503 52.503 52.369 0.134 18221
338 1 1 . 1 1 72 72 ALA CB C 63 18.225 18.225 19.039 -0.814 18221
339 1 1 . 1 1 72 72 ALA H H 63 8.237 8.237 8.336 -0.099 18221
340 1 1 . 1 1 73 73 ALA N N 64 123.432 123.432 125.196 -1.764 18221
341 1 1 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.443 -0.428 18221
342 1 1 . 1 1 73 73 ALA C C 64 178.995 178.995 176.677 2.318 18221
343 1 1 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.174 2.247 18221
344 1 1 . 1 1 73 73 ALA CB C 64 18.003 18.003 20.635 -2.632 18221
345 1 1 . 1 1 73 73 ALA H H 64 8.421 8.421 8.268 0.153 18221
346 1 1 . 1 1 74 74 GLY N N 65 105.577 105.577 111.547 -5.970 18221
347 1 1 . 1 1 74 74 GLY C C 65 176.367 176.367 174.493 1.874 18221
348 1 1 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.695 1.549 18221
349 1 1 . 1 1 74 74 GLY H H 65 8.448 8.448 7.734 0.714 18221
350 1 1 . 1 1 75 75 SER N N 66 117.656 117.656 116.553 1.103 18221
351 1 1 . 1 1 75 75 SER HA H 66 4.394 4.394 4.203 0.191 18221
352 1 1 . 1 1 75 75 SER C C 66 176.329 176.329 176.113 0.216 18221
353 1 1 . 1 1 75 75 SER CA C 66 60.236 60.236 61.011 -0.775 18221
354 1 1 . 1 1 75 75 SER CB C 66 62.476 62.476 62.958 -0.482 18221
355 1 1 . 1 1 75 75 SER H H 66 7.899 7.899 8.711 -0.812 18221
356 1 1 . 1 1 76 76 LEU N N 67 122.743 122.743 118.344 4.399 18221
357 1 1 . 1 1 76 76 LEU HA H 67 4.050 4.050 4.025 0.025 18221
358 1 1 . 1 1 76 76 LEU C C 67 178.442 178.442 178.314 0.128 18221
359 1 1 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.344 0.176 18221
360 1 1 . 1 1 76 76 LEU CB C 67 40.681 40.681 40.797 -0.116 18221
361 1 1 . 1 1 76 76 LEU H H 67 7.955 7.955 7.716 0.239 18221
362 1 1 . 1 1 77 77 VAL N N 68 118.400 118.400 118.297 0.103 18221
363 1 1 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.579 -0.108 18221
364 1 1 . 1 1 77 77 VAL C C 68 177.297 177.297 177.695 -0.398 18221
365 1 1 . 1 1 77 77 VAL CA C 68 66.670 66.670 65.101 1.569 18221
366 1 1 . 1 1 77 77 VAL CB C 68 30.520 30.520 29.988 0.532 18221
367 1 1 . 1 1 77 77 VAL H H 68 8.039 8.039 8.227 -0.188 18221
368 1 1 . 1 1 78 78 ALA N N 69 121.927 121.927 122.002 -0.075 18221
369 1 1 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.033 0.172 18221
370 1 1 . 1 1 78 78 ALA C C 69 181.258 181.258 179.741 1.517 18221
371 1 1 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.179 -0.197 18221
372 1 1 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.125 -0.711 18221
373 1 1 . 1 1 78 78 ALA H H 69 7.631 7.631 8.126 -0.495 18221
374 1 1 . 1 1 79 79 ILE N N 70 119.782 119.782 119.019 0.763 18221
375 1 1 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.917 -0.121 18221
376 1 1 . 1 1 79 79 ILE C C 70 178.253 178.253 178.100 0.153 18221
377 1 1 . 1 1 79 79 ILE CA C 70 64.352 64.352 63.364 0.988 18221
378 1 1 . 1 1 79 79 ILE CB C 70 37.073 37.073 36.752 0.321 18221
379 1 1 . 1 1 79 79 ILE H H 70 7.841 7.841 7.374 0.467 18221
380 1 1 . 1 1 80 80 LEU N N 71 120.841 120.841 122.220 -1.379 18221
381 1 1 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.916 0.021 18221
382 1 1 . 1 1 80 80 LEU C C 71 179.234 179.234 178.894 0.340 18221
383 1 1 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.309 -0.463 18221
384 1 1 . 1 1 80 80 LEU CB C 71 40.019 40.019 40.957 -0.938 18221
385 1 1 . 1 1 80 80 LEU H H 71 8.190 8.190 8.267 -0.077 18221
386 1 1 . 1 1 81 81 GLN N N 72 117.558 117.558 117.852 -0.294 18221
387 1 1 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.944 0.025 18221
388 1 1 . 1 1 81 81 GLN C C 72 178.530 178.530 178.603 -0.073 18221
389 1 1 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.378 -0.559 18221
390 1 1 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.676 -1.396 18221
391 1 1 . 1 1 81 81 GLN H H 72 8.489 8.489 8.303 0.186 18221
392 1 1 . 1 1 82 82 SER N N 73 116.103 116.103 115.222 0.881 18221
393 1 1 . 1 1 82 82 SER HA H 73 4.233 4.233 4.194 0.039 18221
394 1 1 . 1 1 82 82 SER C C 73 177.243 177.243 176.588 0.655 18221
395 1 1 . 1 1 82 82 SER CA C 73 61.044 61.044 61.480 -0.436 18221
396 1 1 . 1 1 82 82 SER CB C 73 62.257 62.257 63.007 -0.750 18221
397 1 1 . 1 1 82 82 SER H H 73 7.855 7.855 8.079 -0.224 18221
398 1 1 . 1 1 83 83 VAL N N 74 120.362 120.362 121.800 -1.438 18221
399 1 1 . 1 1 83 83 VAL C C 74 177.979 177.979 177.241 0.738 18221
400 1 1 . 1 1 83 83 VAL CA C 74 65.106 65.106 66.237 -1.131 18221
401 1 1 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.757 -1.016 18221
402 1 1 . 1 1 83 83 VAL H H 74 8.030 8.030 7.961 0.069 18221
403 1 1 . 1 1 84 84 GLY N N 75 108.223 108.223 106.355 1.868 18221
404 1 1 . 1 1 84 84 GLY C C 75 174.913 174.913 175.490 -0.577 18221
405 1 1 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.047 -0.270 18221
406 1 1 . 1 1 84 84 GLY H H 75 8.369 8.369 7.833 0.536 18221
407 1 1 . 1 1 85 85 ALA N N 76 123.550 123.550 124.495 -0.945 18221
408 1 1 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.103 -0.009 18221
409 1 1 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.911 -0.313 18221
410 1 1 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.304 -0.681 18221
411 1 1 . 1 1 85 85 ALA H H 76 8.115 8.115 8.104 0.011 18221
412 1 1 . 1 1 86 86 ALA N N 77 120.410 120.410 120.948 -0.538 18221
413 1 1 . 1 1 86 86 ALA C C 77 178.988 178.988 179.594 -0.606 18221
414 1 1 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.347 -0.511 18221
415 1 1 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.920 -0.410 18221
416 1 1 . 1 1 86 86 ALA H H 77 8.632 8.632 8.350 0.282 18221
417 1 1 . 1 1 87 87 GLY N N 78 105.706 105.706 107.308 -1.602 18221
418 1 1 . 1 1 87 87 GLY C C 78 175.939 175.939 176.029 -0.090 18221
419 1 1 . 1 1 87 87 GLY CA C 78 46.118 46.118 47.009 -0.891 18221
420 1 1 . 1 1 87 87 GLY H H 78 8.196 8.196 7.798 0.398 18221
421 1 1 . 1 1 88 88 LEU N N 79 124.128 124.128 121.892 2.236 18221
422 1 1 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.841 -0.439 18221
423 1 1 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.868 -1.481 18221
424 1 1 . 1 1 88 88 LEU H H 79 8.449 8.449 8.086 0.363 18221
425 1 1 . 1 1 89 89 SER N N 80 116.251 116.251 114.897 1.354 18221
426 1 1 . 1 1 89 89 SER C C 80 179.153 179.153 176.602 2.551 18221
427 1 1 . 1 1 89 89 SER CA C 80 61.023 61.023 62.044 -1.021 18221
428 1 1 . 1 1 89 89 SER CB C 80 62.255 62.255 62.725 -0.470 18221
429 1 1 . 1 1 89 89 SER H H 80 8.120 8.120 8.186 -0.066 18221
430 1 1 . 1 1 90 90 VAL N N 81 119.310 119.310 121.727 -2.417 18221
431 1 1 . 1 1 90 90 VAL C C 81 177.652 177.652 177.942 -0.290 18221
432 1 1 . 1 1 90 90 VAL CA C 81 65.076 65.076 66.398 -1.323 18221
433 1 1 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.604 -0.274 18221
434 1 1 . 1 1 90 90 VAL H H 81 7.955 7.955 8.194 -0.239 18221
435 1 1 . 1 1 91 91 THR N N 82 115.535 115.535 116.489 -0.954 18221
436 1 1 . 1 1 91 91 THR C C 82 176.571 176.571 176.781 -0.210 18221
437 1 1 . 1 1 91 91 THR CA C 82 66.434 66.434 67.213 -0.779 18221
438 1 1 . 1 1 91 91 THR CB C 82 67.742 67.742 68.703 -0.961 18221
439 1 1 . 1 1 91 91 THR H H 82 7.888 7.888 8.458 -0.570 18221
440 1 1 . 1 1 92 92 SER N N 83 116.537 116.537 117.966 -1.429 18221
441 1 1 . 1 1 92 92 SER HA H 83 4.040 4.040 4.007 0.033 18221
442 1 1 . 1 1 92 92 SER C C 83 176.761 176.761 176.597 0.164 18221
443 1 1 . 1 1 92 92 SER CA C 83 61.564 61.564 62.066 -0.502 18221
444 1 1 . 1 1 92 92 SER CB C 83 62.009 62.009 63.080 -1.071 18221
445 1 1 . 1 1 92 92 SER H H 83 8.212 8.212 8.034 0.178 18221
446 1 1 . 1 1 93 93 LYS N N 84 122.353 122.353 121.093 1.260 18221
447 1 1 . 1 1 93 93 LYS HA H 84 4.119 4.119 4.038 0.081 18221
448 1 1 . 1 1 93 93 LYS C C 84 172.812 172.812 178.378 -5.566 18221
449 1 1 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.566 -1.131 18221
450 1 1 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.414 -0.937 18221
451 1 1 . 1 1 93 93 LYS H H 84 7.642 7.642 8.270 -0.628 18221
452 1 1 . 1 1 94 94 VAL N N 85 119.348 119.348 117.847 1.501 18221
453 1 1 . 1 1 94 94 VAL C C 85 177.948 177.948 177.286 0.662 18221
454 1 1 . 1 1 94 94 VAL CA C 85 65.389 65.389 64.604 0.785 18221
455 1 1 . 1 1 94 94 VAL CB C 85 31.846 31.846 32.193 -0.347 18221
456 1 1 . 1 1 94 94 VAL H H 85 8.414 8.414 7.576 0.838 18221
457 1 1 . 1 1 95 95 ILE N N 86 118.769 118.769 117.388 1.381 18221
458 1 1 . 1 1 95 95 ILE C C 86 177.972 177.972 177.576 0.396 18221
459 1 1 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.908 -0.071 18221
460 1 1 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.187 -1.555 18221
461 1 1 . 1 1 95 95 ILE H H 86 8.169 8.169 7.755 0.414 18221
462 1 1 . 1 1 96 96 GLY N N 87 107.955 107.955 105.647 2.308 18221
463 1 1 . 1 1 96 96 GLY C C 87 176.571 176.571 173.808 2.763 18221
464 1 1 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.702 1.809 18221
465 1 1 . 1 1 96 96 GLY H H 87 8.182 8.182 8.535 -0.353 18221
466 1 1 . 1 1 97 97 GLY N N 88 109.117 109.117 107.238 1.879 18221
467 1 1 . 1 1 97 97 GLY C C 88 175.524 175.524 173.573 1.951 18221
468 1 1 . 1 1 97 97 GLY CA C 88 45.832 45.832 45.560 0.272 18221
469 1 1 . 1 1 97 97 GLY H H 88 7.953 7.953 8.281 -0.328 18221
470 1 1 . 1 1 98 98 PHE N N 89 121.100 121.100 118.692 2.408 18221
471 1 1 . 1 1 98 98 PHE C C 89 176.367 176.367 174.295 2.072 18221
472 1 1 . 1 1 98 98 PHE CA C 89 56.900 56.900 57.082 -0.182 18221
473 1 1 . 1 1 98 98 PHE CB C 89 38.832 38.832 38.808 0.024 18221
474 1 1 . 1 1 98 98 PHE H H 89 8.000 8.000 7.760 0.240 18221
475 1 1 . 1 1 99 99 ALA N N 90 122.834 122.834 124.442 -1.608 18221
476 1 1 . 1 1 99 99 ALA C C 90 178.348 178.348 176.468 1.880 18221
477 1 1 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.322 2.955 18221
478 1 1 . 1 1 99 99 ALA CB C 90 17.414 17.414 18.114 -0.700 18221
479 1 1 . 1 1 99 99 ALA H H 90 8.322 8.322 8.557 -0.235 18221
480 1 1 . 1 1 100 100 GLY N N 91 106.688 106.688 109.099 -2.411 18221
481 1 1 . 1 1 100 100 GLY C C 91 175.878 175.878 173.027 2.851 18221
482 1 1 . 1 1 100 100 GLY CA C 91 45.626 45.626 44.389 1.237 18221
483 1 1 . 1 1 100 100 GLY H H 91 8.000 8.000 8.074 -0.074 18221
484 1 1 . 1 1 101 101 THR N N 92 115.689 115.689 112.223 3.466 18221
485 1 1 . 1 1 101 101 THR C C 92 178.476 178.476 172.194 6.282 18221
486 1 1 . 1 1 101 101 THR CA C 92 63.364 63.364 63.029 0.335 18221
487 1 1 . 1 1 101 101 THR CB C 92 69.619 69.619 68.185 1.434 18221
488 1 1 . 1 1 101 101 THR H H 92 7.754 7.754 8.179 -0.425 18221
489 1 1 . 1 1 102 102 ALA N N 93 124.835 124.835 125.273 -0.438 18221
490 1 1 . 1 1 102 102 ALA CA C 93 54.311 54.311 51.514 2.797 18221
491 1 1 . 1 1 102 102 ALA CB C 93 17.679 17.679 21.191 -3.512 18221
492 1 1 . 1 1 102 102 ALA H H 93 7.919 7.919 7.839 0.080 18221
493 1 1 . 1 1 103 103 LEU N N 94 117.445 117.445 120.170 -2.725 18221
494 1 1 . 1 1 103 103 LEU CA C 94 56.782 56.782 54.876 1.906 18221
495 1 1 . 1 1 103 103 LEU CB C 94 40.902 40.902 42.161 -1.259 18221
496 1 1 . 1 1 103 103 LEU H H 94 8.037 8.037 8.525 -0.488 18221
497 1 1 . 1 1 104 104 GLY N N 95 106.296 106.296 110.840 -4.544 18221
498 1 1 . 1 1 104 104 GLY C C 95 175.851 175.851 173.295 2.556 18221
499 1 1 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.608 1.962 18221
500 1 1 . 1 1 104 104 GLY H H 95 7.900 7.900 7.756 0.144 18221
501 1 1 . 1 1 105 105 ALA N N 96 123.872 123.872 123.989 -0.117 18221
502 1 1 . 1 1 105 105 ALA CA C 96 54.126 54.126 51.627 2.499 18221
503 1 1 . 1 1 105 105 ALA CB C 96 17.587 17.587 17.464 0.123 18221
504 1 1 . 1 1 105 105 ALA H H 96 7.804 7.804 8.405 -0.601 18221
505 1 1 . 1 1 106 106 TRP N N 97 120.348 120.348 120.045 0.303 18221
506 1 1 . 1 1 106 106 TRP C C 97 176.857 176.857 175.187 1.670 18221
507 1 1 . 1 1 106 106 TRP CA C 97 56.900 56.900 57.493 -0.593 18221
508 1 1 . 1 1 106 106 TRP H H 97 8.385 8.385 8.204 0.181 18221
509 1 1 . 1 1 107 107 LEU N N 98 117.756 117.756 126.870 -9.114 18221
510 1 1 . 1 1 107 107 LEU C C 98 177.659 177.659 176.532 1.127 18221
511 1 1 . 1 1 107 107 LEU CA C 98 55.103 55.103 53.940 1.163 18221
512 1 1 . 1 1 107 107 LEU CB C 98 41.418 41.418 42.917 -1.499 18221
513 1 1 . 1 1 107 107 LEU H H 98 7.880 7.880 8.368 -0.488 18221
514 1 1 . 1 1 108 108 GLY N N 99 107.285 107.285 110.025 -2.740 18221
515 1 1 . 1 1 108 108 GLY C C 99 173.815 173.815 174.472 -0.657 18221
516 1 1 . 1 1 108 108 GLY CA C 99 44.947 44.947 45.332 -0.385 18221
517 1 1 . 1 1 108 108 GLY H H 99 7.694 7.694 8.307 -0.613 18221
518 1 1 . 1 1 109 109 SER N N 100 117.139 117.139 117.132 0.007 18221
519 1 1 . 1 1 109 109 SER C C 100 172.179 172.179 172.406 -0.227 18221
520 1 1 . 1 1 109 109 SER CA C 100 56.015 56.015 56.948 -0.933 18221
521 1 1 . 1 1 109 109 SER CB C 100 62.771 62.771 64.343 -1.572 18221
522 1 1 . 1 1 109 109 SER H H 100 8.030 8.030 8.332 -0.302 18221
523 1 1 . 1 1 111 111 PRO C C 102 177.073 177.073 175.997 1.076 18221
524 1 1 . 1 1 111 111 PRO CA C 102 62.199 62.199 62.989 -0.789 18221
525 1 1 . 1 1 111 111 PRO CB C 102 31.211 31.211 30.403 0.808 18221
526 1 1 . 1 1 112 112 SER N N 103 117.115 117.115 118.972 -1.857 18221
527 1 1 . 1 1 112 112 SER C C 103 173.898 173.898 174.045 -0.147 18221
528 1 1 . 1 1 112 112 SER CA C 103 57.904 57.904 57.665 0.239 18221
529 1 1 . 1 1 112 112 SER CB C 103 63.360 63.360 65.093 -1.733 18221
530 1 1 . 1 1 112 112 SER H H 103 8.345 8.345 8.319 0.026 18221
531 1 2 . 1 1 11 11 GLY N N 2 109.366 109.366 110.670 -1.304 18221
532 1 2 . 1 1 11 11 GLY C C 2 174.543 174.543 173.963 0.580 18221
533 1 2 . 1 1 11 11 GLY CA C 2 45.695 45.695 44.534 1.161 18221
534 1 2 . 1 1 11 11 GLY H H 2 8.271 8.271 7.930 0.341 18221
535 1 2 . 1 1 12 12 LYS N N 3 121.129 121.129 122.225 -1.096 18221
536 1 2 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.380 -0.248 18221
537 1 2 . 1 1 12 12 LYS C C 3 177.234 177.234 175.413 1.821 18221
538 1 2 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.707 0.105 18221
539 1 2 . 1 1 12 12 LYS CB C 3 31.846 31.846 33.451 -1.605 18221
540 1 2 . 1 1 12 12 LYS H H 3 8.057 8.057 8.506 -0.449 18221
541 1 2 . 1 1 13 13 GLU N N 4 120.318 120.318 120.715 -0.397 18221
542 1 2 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.313 -0.158 18221
543 1 2 . 1 1 13 13 GLU C C 4 176.857 176.857 174.661 2.196 18221
544 1 2 . 1 1 13 13 GLU CA C 4 56.871 56.871 56.419 0.452 18221
545 1 2 . 1 1 13 13 GLU CB C 4 28.388 28.388 31.863 -3.475 18221
546 1 2 . 1 1 13 13 GLU H H 4 8.398 8.398 8.605 -0.207 18221
547 1 2 . 1 1 14 14 SER N N 5 115.504 115.504 119.553 -4.049 18221
548 1 2 . 1 1 14 14 SER HA H 5 3.843 3.843 4.738 -0.895 18221
549 1 2 . 1 1 14 14 SER C C 5 175.337 175.337 174.669 0.668 18221
550 1 2 . 1 1 14 14 SER CA C 5 58.524 58.524 57.923 0.601 18221
551 1 2 . 1 1 14 14 SER CB C 5 63.360 63.360 62.531 0.829 18221
552 1 2 . 1 1 14 14 SER H H 5 8.089 8.089 8.631 -0.542 18221
553 1 2 . 1 1 15 15 GLY N N 6 110.761 110.761 113.307 -2.546 18221
554 1 2 . 1 1 15 15 GLY C C 6 174.581 174.581 172.923 1.658 18221
555 1 2 . 1 1 15 15 GLY CA C 6 45.566 45.566 44.924 0.642 18221
556 1 2 . 1 1 15 15 GLY H H 6 8.197 8.197 8.392 -0.195 18221
557 1 2 . 1 1 16 16 TRP N N 7 121.800 121.800 120.675 1.125 18221
558 1 2 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.986 -0.426 18221
559 1 2 . 1 1 16 16 TRP C C 7 176.920 176.920 173.419 3.501 18221
560 1 2 . 1 1 16 16 TRP CA C 7 58.081 58.081 56.413 1.668 18221
561 1 2 . 1 1 16 16 TRP CB C 7 28.679 28.679 30.071 -1.392 18221
562 1 2 . 1 1 16 16 TRP H H 7 8.184 8.184 7.088 1.096 18221
563 1 2 . 1 1 17 17 ASP N N 8 121.132 121.132 119.515 1.617 18221
564 1 2 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.761 -0.366 18221
565 1 2 . 1 1 17 17 ASP C C 8 176.941 176.941 175.373 1.568 18221
566 1 2 . 1 1 17 17 ASP CA C 8 56.244 56.244 54.577 1.667 18221
567 1 2 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.991 -2.046 18221
568 1 2 . 1 1 17 17 ASP H H 8 8.332 8.332 8.438 -0.106 18221
569 1 2 . 1 1 18 18 SER N N 9 116.148 116.148 115.416 0.732 18221
570 1 2 . 1 1 18 18 SER HA H 9 3.861 3.861 4.914 -1.053 18221
571 1 2 . 1 1 18 18 SER CA C 9 60.081 60.081 56.998 3.083 18221
572 1 2 . 1 1 18 18 SER CB C 9 62.255 62.255 66.506 -4.251 18221
573 1 2 . 1 1 18 18 SER H H 9 8.129 8.129 8.017 0.112 18221
574 1 2 . 1 1 19 19 GLY N N 10 110.747 110.747 110.029 0.718 18221
575 1 2 . 1 1 19 19 GLY C C 10 174.682 174.682 175.460 -0.778 18221
576 1 2 . 1 1 19 19 GLY CA C 10 46.600 46.600 44.178 2.422 18221
577 1 2 . 1 1 19 19 GLY H H 10 8.216 8.216 8.494 -0.278 18221
578 1 2 . 1 1 20 20 ARG N N 11 121.405 121.405 120.313 1.092 18221
579 1 2 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.046 -0.189 18221
580 1 2 . 1 1 20 20 ARG C C 11 178.328 178.328 179.111 -0.783 18221
581 1 2 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.895 0.190 18221
582 1 2 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.179 -1.132 18221
583 1 2 . 1 1 20 20 ARG H H 11 8.158 8.158 8.549 -0.391 18221
584 1 2 . 1 1 21 21 ALA N N 12 122.167 122.167 120.582 1.585 18221
585 1 2 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.083 0.017 18221
586 1 2 . 1 1 21 21 ALA C C 12 180.129 180.129 179.281 0.848 18221
587 1 2 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.757 -0.365 18221
588 1 2 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.989 -0.575 18221
589 1 2 . 1 1 21 21 ALA H H 12 7.963 7.963 8.463 -0.500 18221
590 1 2 . 1 1 22 22 ALA N N 13 122.150 122.150 121.600 0.550 18221
591 1 2 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.966 0.071 18221
592 1 2 . 1 1 22 22 ALA C C 13 179.095 179.095 179.663 -0.568 18221
593 1 2 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.879 -0.163 18221
594 1 2 . 1 1 22 22 ALA CB C 13 17.561 17.561 17.846 -0.284 18221
595 1 2 . 1 1 22 22 ALA H H 13 7.881 7.881 7.628 0.253 18221
596 1 2 . 1 1 23 23 VAL N N 14 117.107 117.107 118.602 -1.495 18221
597 1 2 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.572 -0.092 18221
598 1 2 . 1 1 23 23 VAL C C 14 177.586 177.586 178.195 -0.609 18221
599 1 2 . 1 1 23 23 VAL CA C 14 66.198 66.198 66.367 -0.169 18221
600 1 2 . 1 1 23 23 VAL CB C 14 30.520 30.520 31.013 -0.493 18221
601 1 2 . 1 1 23 23 VAL H H 14 7.888 7.888 8.100 -0.212 18221
602 1 2 . 1 1 24 24 ALA N N 15 121.333 121.333 121.850 -0.517 18221
603 1 2 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.974 0.007 18221
604 1 2 . 1 1 24 24 ALA C C 15 180.373 180.373 179.308 1.065 18221
605 1 2 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.187 -0.176 18221
606 1 2 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.842 -0.590 18221
607 1 2 . 1 1 24 24 ALA H H 15 8.037 8.037 7.877 0.160 18221
608 1 2 . 1 1 25 25 ALA N N 16 121.158 121.158 120.875 0.283 18221
609 1 2 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.164 -0.018 18221
610 1 2 . 1 1 25 25 ALA C C 16 179.828 179.828 179.109 0.719 18221
611 1 2 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.881 -0.430 18221
612 1 2 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.536 -1.049 18221
613 1 2 . 1 1 25 25 ALA H H 16 7.819 7.819 7.831 -0.012 18221
614 1 2 . 1 1 26 26 VAL N N 17 118.417 118.417 117.081 1.336 18221
615 1 2 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.945 -0.167 18221
616 1 2 . 1 1 26 26 VAL C C 17 178.020 178.020 177.047 0.973 18221
617 1 2 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.984 1.594 18221
618 1 2 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.495 -0.410 18221
619 1 2 . 1 1 26 26 VAL H H 17 7.848 7.848 7.703 0.145 18221
620 1 2 . 1 1 27 27 VAL N N 18 119.240 119.240 119.426 -0.186 18221
621 1 2 . 1 1 27 27 VAL C C 18 177.719 177.719 176.558 1.161 18221
622 1 2 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.777 1.214 18221
623 1 2 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.264 -2.077 18221
624 1 2 . 1 1 27 27 VAL H H 18 8.377 8.377 7.521 0.856 18221
625 1 2 . 1 1 28 28 GLY N N 19 106.009 106.009 106.453 -0.444 18221
626 1 2 . 1 1 28 28 GLY C C 19 176.212 176.212 174.175 2.037 18221
627 1 2 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.557 -0.313 18221
628 1 2 . 1 1 28 28 GLY H H 19 8.122 8.122 8.048 0.074 18221
629 1 2 . 1 1 29 29 GLY N N 20 110.216 110.216 111.003 -0.787 18221
630 1 2 . 1 1 29 29 GLY C C 20 174.097 174.097 175.134 -1.037 18221
631 1 2 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.601 1.733 18221
632 1 2 . 1 1 29 29 GLY H H 20 8.039 8.039 8.004 0.035 18221
633 1 2 . 1 1 30 30 VAL N N 21 121.188 121.188 119.504 1.684 18221
634 1 2 . 1 1 30 30 VAL C C 21 177.073 177.073 177.386 -0.313 18221
635 1 2 . 1 1 30 30 VAL CA C 21 62.574 62.574 65.207 -2.634 18221
636 1 2 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.415 -0.625 18221
637 1 2 . 1 1 30 30 VAL H H 21 7.983 7.983 7.897 0.086 18221
638 1 2 . 1 1 32 32 ALA N N 23 125.091 125.091 122.035 3.056 18221
639 1 2 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.087 0.173 18221
640 1 2 . 1 1 32 32 ALA C C 23 179.523 179.523 179.818 -0.295 18221
641 1 2 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.306 -1.623 18221
642 1 2 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.056 -1.673 18221
643 1 2 . 1 1 32 32 ALA H H 23 8.036 8.036 7.462 0.574 18221
644 1 2 . 1 1 33 33 VAL N N 24 118.793 118.793 115.229 3.564 18221
645 1 2 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.871 -0.163 18221
646 1 2 . 1 1 33 33 VAL C C 24 177.901 177.901 178.016 -0.115 18221
647 1 2 . 1 1 33 33 VAL CA C 24 65.430 65.430 65.733 -0.303 18221
648 1 2 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.327 -0.009 18221
649 1 2 . 1 1 33 33 VAL H H 24 8.195 8.195 7.937 0.258 18221
650 1 2 . 1 1 34 34 GLY N N 25 108.367 108.367 109.770 -1.403 18221
651 1 2 . 1 1 34 34 GLY C C 25 175.424 175.424 175.532 -0.108 18221
652 1 2 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.560 -0.226 18221
653 1 2 . 1 1 34 34 GLY H H 25 8.651 8.651 8.206 0.445 18221
654 1 2 . 1 1 35 35 THR N N 26 116.448 116.448 119.814 -3.366 18221
655 1 2 . 1 1 35 35 THR C C 26 176.843 176.843 176.974 -0.131 18221
656 1 2 . 1 1 35 35 THR CA C 26 65.962 65.962 67.396 -1.434 18221
657 1 2 . 1 1 35 35 THR CB C 26 68.414 68.414 68.900 -0.486 18221
658 1 2 . 1 1 35 35 THR H H 26 7.975 7.975 8.484 -0.509 18221
659 1 2 . 1 1 36 36 VAL N N 27 122.810 122.810 120.912 1.898 18221
660 1 2 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.731 -0.012 18221
661 1 2 . 1 1 36 36 VAL C C 27 177.618 177.618 177.311 0.307 18221
662 1 2 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.255 -0.529 18221
663 1 2 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.333 -0.666 18221
664 1 2 . 1 1 36 36 VAL H H 27 7.559 7.559 8.038 -0.479 18221
665 1 2 . 1 1 37 37 LEU N N 28 119.566 119.566 120.666 -1.100 18221
666 1 2 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.981 -0.028 18221
667 1 2 . 1 1 37 37 LEU C C 28 179.666 179.666 178.755 0.911 18221
668 1 2 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.317 -0.472 18221
669 1 2 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.970 -1.804 18221
670 1 2 . 1 1 37 37 LEU H H 28 8.086 8.086 7.628 0.458 18221
671 1 2 . 1 1 38 38 VAL N N 29 119.468 119.468 118.196 1.272 18221
672 1 2 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.485 0.168 18221
673 1 2 . 1 1 38 38 VAL C C 29 178.639 178.639 178.345 0.294 18221
674 1 2 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.427 -0.954 18221
675 1 2 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.047 -0.438 18221
676 1 2 . 1 1 38 38 VAL H H 29 8.066 8.066 8.535 -0.469 18221
677 1 2 . 1 1 39 39 ALA N N 30 124.255 124.255 122.134 2.121 18221
678 1 2 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.029 0.137 18221
679 1 2 . 1 1 39 39 ALA C C 30 180.303 180.303 179.578 0.725 18221
680 1 2 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.127 -0.293 18221
681 1 2 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.460 -0.752 18221
682 1 2 . 1 1 39 39 ALA H H 30 7.688 7.688 7.824 -0.136 18221
683 1 2 . 1 1 40 40 LEU N N 31 118.268 118.268 119.064 -0.796 18221
684 1 2 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.001 0.140 18221
685 1 2 . 1 1 40 40 LEU C C 31 179.271 179.271 179.335 -0.064 18221
686 1 2 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.776 -0.698 18221
687 1 2 . 1 1 40 40 LEU CB C 31 40.902 40.902 41.603 -0.701 18221
688 1 2 . 1 1 40 40 LEU H H 31 8.326 8.326 7.922 0.404 18221
689 1 2 . 1 1 41 41 SER N N 32 114.984 114.984 113.781 1.203 18221
690 1 2 . 1 1 41 41 SER HA H 32 3.952 3.952 4.095 -0.143 18221
691 1 2 . 1 1 41 41 SER C C 32 176.284 176.284 175.117 1.167 18221
692 1 2 . 1 1 41 41 SER CA C 32 60.885 60.885 60.428 0.456 18221
693 1 2 . 1 1 41 41 SER CB C 32 62.410 62.410 63.535 -1.125 18221
694 1 2 . 1 1 41 41 SER H H 32 8.062 8.062 8.193 -0.131 18221
695 1 2 . 1 1 42 42 ALA N N 33 124.588 124.588 121.409 3.179 18221
696 1 2 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.223 0.002 18221
697 1 2 . 1 1 42 42 ALA C C 33 179.033 179.033 176.055 2.978 18221
698 1 2 . 1 1 42 42 ALA CA C 33 53.713 53.713 52.280 1.433 18221
699 1 2 . 1 1 42 42 ALA CB C 33 17.929 17.929 20.034 -2.105 18221
700 1 2 . 1 1 42 42 ALA H H 33 7.813 7.813 7.889 -0.076 18221
701 1 2 . 1 1 43 43 MET N N 34 116.808 116.808 115.250 1.558 18221
702 1 2 . 1 1 43 43 MET HA H 34 4.285 4.285 4.478 -0.193 18221
703 1 2 . 1 1 43 43 MET C C 34 176.807 176.807 175.820 0.987 18221
704 1 2 . 1 1 43 43 MET CA C 34 56.576 56.576 56.515 0.061 18221
705 1 2 . 1 1 43 43 MET CB C 34 32.435 32.435 33.698 -1.263 18221
706 1 2 . 1 1 43 43 MET H H 34 7.691 7.691 8.034 -0.343 18221
707 1 2 . 1 1 44 44 GLY N N 35 107.020 107.020 108.363 -1.343 18221
708 1 2 . 1 1 44 44 GLY C C 35 174.493 174.493 174.396 0.097 18221
709 1 2 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.566 -0.501 18221
710 1 2 . 1 1 44 44 GLY H H 35 7.793 7.793 8.271 -0.478 18221
711 1 2 . 1 1 45 45 PHE N N 36 120.285 120.285 118.459 1.826 18221
712 1 2 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.791 -0.284 18221
713 1 2 . 1 1 45 45 PHE C C 36 176.876 176.876 173.911 2.965 18221
714 1 2 . 1 1 45 45 PHE CA C 36 58.937 58.937 58.075 0.862 18221
715 1 2 . 1 1 45 45 PHE CB C 36 38.178 38.178 39.236 -1.058 18221
716 1 2 . 1 1 45 45 PHE H H 36 8.215 8.215 7.840 0.375 18221
717 1 2 . 1 1 46 46 THR N N 37 114.008 114.008 118.276 -4.268 18221
718 1 2 . 1 1 46 46 THR HA H 37 4.080 4.080 4.401 -0.321 18221
719 1 2 . 1 1 46 46 THR C C 37 175.751 175.751 173.850 1.901 18221
720 1 2 . 1 1 46 46 THR CA C 37 64.220 64.220 62.318 1.902 18221
721 1 2 . 1 1 46 46 THR CB C 37 68.514 68.514 69.802 -1.288 18221
722 1 2 . 1 1 46 46 THR H H 37 8.111 8.111 7.791 0.320 18221
723 1 2 . 1 1 47 47 SER N N 38 116.646 116.646 118.939 -2.293 18221
724 1 2 . 1 1 47 47 SER HA H 38 3.918 3.918 4.390 -0.472 18221
725 1 2 . 1 1 47 47 SER C C 38 176.744 176.744 175.202 1.542 18221
726 1 2 . 1 1 47 47 SER CA C 38 59.911 59.911 59.506 0.405 18221
727 1 2 . 1 1 47 47 SER CB C 38 62.624 62.624 63.301 -0.677 18221
728 1 2 . 1 1 47 47 SER H H 38 8.079 8.079 8.353 -0.274 18221
729 1 2 . 1 1 48 48 VAL N N 39 121.929 121.929 123.371 -1.442 18221
730 1 2 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.849 0.060 18221
731 1 2 . 1 1 48 48 VAL C C 39 177.033 177.033 177.342 -0.309 18221
732 1 2 . 1 1 48 48 VAL CA C 39 64.988 64.988 66.191 -1.203 18221
733 1 2 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.532 -0.865 18221
734 1 2 . 1 1 48 48 VAL H H 39 7.985 7.985 7.997 -0.012 18221
735 1 2 . 1 1 49 49 GLY N N 40 108.633 108.633 107.826 0.807 18221
736 1 2 . 1 1 49 49 GLY C C 40 176.038 176.038 176.330 -0.292 18221
737 1 2 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.724 -0.859 18221
738 1 2 . 1 1 49 49 GLY H H 40 8.267 8.267 8.301 -0.034 18221
739 1 2 . 1 1 50 50 ILE N N 41 122.466 122.466 122.966 -0.500 18221
740 1 2 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.674 0.197 18221
741 1 2 . 1 1 50 50 ILE C C 41 178.363 178.363 178.043 0.320 18221
742 1 2 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.357 -0.842 18221
743 1 2 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.613 -0.375 18221
744 1 2 . 1 1 50 50 ILE H H 41 7.865 7.865 7.911 -0.046 18221
745 1 2 . 1 1 51 51 ALA N N 42 125.064 125.064 121.835 3.229 18221
746 1 2 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.881 0.218 18221
747 1 2 . 1 1 51 51 ALA C C 42 179.385 179.385 179.092 0.293 18221
748 1 2 . 1 1 51 51 ALA CA C 42 54.480 54.480 54.990 -0.510 18221
749 1 2 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.954 -0.467 18221
750 1 2 . 1 1 51 51 ALA H H 42 7.930 7.930 8.134 -0.204 18221
751 1 2 . 1 1 52 52 ALA N N 43 120.594 120.594 120.450 0.144 18221
752 1 2 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.067 -0.130 18221
753 1 2 . 1 1 52 52 ALA C C 43 179.088 179.088 179.826 -0.738 18221
754 1 2 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.703 0.397 18221
755 1 2 . 1 1 52 52 ALA CB C 43 17.635 17.635 17.980 -0.345 18221
756 1 2 . 1 1 52 52 ALA H H 43 8.639 8.639 8.101 0.538 18221
757 1 2 . 1 1 53 53 SER N N 44 113.012 113.012 115.344 -2.332 18221
758 1 2 . 1 1 53 53 SER HA H 44 3.966 3.966 4.192 -0.226 18221
759 1 2 . 1 1 53 53 SER C C 44 176.898 176.898 176.744 0.154 18221
760 1 2 . 1 1 53 53 SER CA C 44 61.139 61.139 61.690 -0.551 18221
761 1 2 . 1 1 53 53 SER CB C 44 62.347 62.347 63.073 -0.726 18221
762 1 2 . 1 1 53 53 SER H H 44 8.193 8.193 8.113 0.080 18221
763 1 2 . 1 1 54 54 SER N N 45 118.714 118.714 118.223 0.491 18221
764 1 2 . 1 1 54 54 SER HA H 45 3.975 3.975 4.147 -0.172 18221
765 1 2 . 1 1 54 54 SER C C 45 177.131 177.131 176.899 0.232 18221
766 1 2 . 1 1 54 54 SER CA C 45 61.210 61.210 62.226 -1.016 18221
767 1 2 . 1 1 54 54 SER CB C 45 62.255 62.255 63.029 -0.774 18221
768 1 2 . 1 1 54 54 SER H H 45 7.944 7.944 8.173 -0.229 18221
769 1 2 . 1 1 55 55 ILE N N 46 122.912 122.912 120.750 2.162 18221
770 1 2 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.786 -0.029 18221
771 1 2 . 1 1 55 55 ILE C C 46 177.813 177.813 177.804 0.009 18221
772 1 2 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.049 0.142 18221
773 1 2 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.106 -0.180 18221
774 1 2 . 1 1 55 55 ILE H H 46 8.028 8.028 8.075 -0.047 18221
775 1 2 . 1 1 56 56 ALA N N 47 122.990 122.990 122.589 0.401 18221
776 1 2 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.001 -0.045 18221
777 1 2 . 1 1 56 56 ALA C C 47 180.294 180.294 179.098 1.196 18221
778 1 2 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.289 0.049 18221
779 1 2 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.769 -1.067 18221
780 1 2 . 1 1 56 56 ALA H H 47 8.333 8.333 7.756 0.577 18221
781 1 2 . 1 1 57 57 ALA N N 48 121.988 121.988 122.536 -0.548 18221
782 1 2 . 1 1 57 57 ALA HA H 48 4.068 4.068 3.959 0.109 18221
783 1 2 . 1 1 57 57 ALA CA C 48 54.421 54.421 53.071 1.350 18221
784 1 2 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.244 -1.542 18221
785 1 2 . 1 1 57 57 ALA H H 48 7.879 7.879 8.122 -0.243 18221
786 1 2 . 1 1 58 58 LYS N N 49 119.094 119.094 117.276 1.818 18221
787 1 2 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.970 0.176 18221
788 1 2 . 1 1 58 58 LYS C C 49 179.649 179.649 175.846 3.803 18221
789 1 2 . 1 1 58 58 LYS CA C 49 57.157 57.157 57.120 0.037 18221
790 1 2 . 1 1 58 58 LYS CB C 49 31.330 31.330 31.051 0.279 18221
791 1 2 . 1 1 58 58 LYS H H 49 7.727 7.727 8.028 -0.301 18221
792 1 2 . 1 1 59 59 MET N N 50 120.498 120.498 117.841 2.657 18221
793 1 2 . 1 1 59 59 MET HA H 50 4.156 4.156 4.493 -0.337 18221
794 1 2 . 1 1 59 59 MET C C 50 177.949 177.949 176.052 1.897 18221
795 1 2 . 1 1 59 59 MET CA C 50 57.136 57.136 55.514 1.622 18221
796 1 2 . 1 1 59 59 MET CB C 50 31.922 31.922 32.743 -0.821 18221
797 1 2 . 1 1 59 59 MET H H 50 8.395 8.395 8.249 0.146 18221
798 1 2 . 1 1 60 60 MET N N 51 117.689 117.689 121.118 -3.429 18221
799 1 2 . 1 1 60 60 MET HA H 51 4.222 4.222 4.189 0.033 18221
800 1 2 . 1 1 60 60 MET C C 51 177.674 177.674 174.768 2.906 18221
801 1 2 . 1 1 60 60 MET CA C 51 57.638 57.638 55.507 2.131 18221
802 1 2 . 1 1 60 60 MET CB C 51 31.785 31.785 32.617 -0.833 18221
803 1 2 . 1 1 60 60 MET H H 51 8.234 8.234 8.257 -0.023 18221
804 1 2 . 1 1 61 61 SER N N 52 114.385 114.385 116.717 -2.332 18221
805 1 2 . 1 1 61 61 SER HA H 52 4.001 4.001 4.520 -0.519 18221
806 1 2 . 1 1 61 61 SER C C 52 176.079 176.079 174.623 1.456 18221
807 1 2 . 1 1 61 61 SER CA C 52 59.911 59.911 58.073 1.838 18221
808 1 2 . 1 1 61 61 SER CB C 52 62.624 62.624 64.068 -1.444 18221
809 1 2 . 1 1 61 61 SER H H 52 7.893 7.893 8.225 -0.332 18221
810 1 2 . 1 1 62 62 THR N N 53 117.304 117.304 116.889 0.415 18221
811 1 2 . 1 1 62 62 THR HA H 53 4.104 4.104 4.276 -0.172 18221
812 1 2 . 1 1 62 62 THR C C 53 175.436 175.436 173.919 1.517 18221
813 1 2 . 1 1 62 62 THR CA C 53 64.220 64.220 62.810 1.410 18221
814 1 2 . 1 1 62 62 THR CB C 53 68.514 68.514 68.473 0.041 18221
815 1 2 . 1 1 62 62 THR H H 53 7.794 7.794 8.229 -0.435 18221
816 1 2 . 1 1 63 63 ALA N N 54 125.382 125.382 129.350 -3.968 18221
817 1 2 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.540 -0.446 18221
818 1 2 . 1 1 63 63 ALA C C 54 178.328 178.328 175.371 2.957 18221
819 1 2 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.349 1.747 18221
820 1 2 . 1 1 63 63 ALA CB C 54 17.708 17.708 20.482 -2.774 18221
821 1 2 . 1 1 63 63 ALA H H 54 8.204 8.204 8.174 0.030 18221
822 1 2 . 1 1 64 64 ALA N N 55 119.929 119.929 123.827 -3.898 18221
823 1 2 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.741 -0.616 18221
824 1 2 . 1 1 64 64 ALA C C 55 179.183 179.183 176.743 2.440 18221
825 1 2 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.002 2.035 18221
826 1 2 . 1 1 64 64 ALA CB C 55 17.708 17.708 19.399 -1.691 18221
827 1 2 . 1 1 64 64 ALA H H 55 7.951 7.951 8.211 -0.260 18221
828 1 2 . 1 1 65 65 ILE N N 56 117.016 117.016 120.064 -3.048 18221
829 1 2 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.039 -0.089 18221
830 1 2 . 1 1 65 65 ILE C C 56 177.222 177.222 175.491 1.731 18221
831 1 2 . 1 1 65 65 ILE CA C 56 62.184 62.184 61.073 1.111 18221
832 1 2 . 1 1 65 65 ILE CB C 56 37.073 37.073 36.272 0.801 18221
833 1 2 . 1 1 65 65 ILE H H 56 7.561 7.561 8.168 -0.607 18221
834 1 2 . 1 1 66 66 ALA N N 57 124.191 124.191 128.382 -4.191 18221
835 1 2 . 1 1 66 66 ALA HA H 57 4.177 4.177 3.975 0.202 18221
836 1 2 . 1 1 66 66 ALA C C 57 178.190 178.190 176.029 2.161 18221
837 1 2 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.295 1.241 18221
838 1 2 . 1 1 66 66 ALA CB C 57 17.929 17.929 17.296 0.633 18221
839 1 2 . 1 1 66 66 ALA H H 57 7.982 7.982 8.254 -0.272 18221
840 1 2 . 1 1 67 67 ASN N N 58 116.132 116.132 115.601 0.531 18221
841 1 2 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.366 0.307 18221
842 1 2 . 1 1 67 67 ASN C C 58 176.344 176.344 173.323 3.021 18221
843 1 2 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.976 -0.499 18221
844 1 2 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.790 -0.318 18221
845 1 2 . 1 1 67 67 ASN H H 58 8.113 8.113 8.560 -0.447 18221
846 1 2 . 1 1 68 68 GLY N N 59 108.808 108.808 107.016 1.792 18221
847 1 2 . 1 1 68 68 GLY C C 59 174.958 174.958 173.072 1.886 18221
848 1 2 . 1 1 68 68 GLY CA C 59 45.655 45.655 45.382 0.273 18221
849 1 2 . 1 1 68 68 GLY H H 59 8.152 8.152 8.178 -0.026 18221
850 1 2 . 1 1 69 69 GLY N N 60 108.832 108.832 109.330 -0.498 18221
851 1 2 . 1 1 69 69 GLY C C 60 174.631 174.631 174.052 0.579 18221
852 1 2 . 1 1 69 69 GLY CA C 60 45.419 45.419 45.831 -0.412 18221
853 1 2 . 1 1 69 69 GLY H H 60 8.218 8.218 8.350 -0.132 18221
854 1 2 . 1 1 70 70 GLY N N 61 108.966 108.966 113.222 -4.256 18221
855 1 2 . 1 1 70 70 GLY C C 61 174.594 174.594 173.721 0.873 18221
856 1 2 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.794 0.567 18221
857 1 2 . 1 1 70 70 GLY H H 61 8.175 8.175 8.188 -0.013 18221
858 1 2 . 1 1 71 71 VAL N N 62 120.209 120.209 123.243 -3.034 18221
859 1 2 . 1 1 71 71 VAL HA H 62 4.006 4.006 4.060 -0.054 18221
860 1 2 . 1 1 71 71 VAL C C 62 176.077 176.077 176.235 -0.158 18221
861 1 2 . 1 1 71 71 VAL CA C 62 62.390 62.390 63.117 -0.727 18221
862 1 2 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.354 -0.656 18221
863 1 2 . 1 1 71 71 VAL H H 62 7.882 7.882 8.533 -0.651 18221
864 1 2 . 1 1 72 72 ALA N N 63 126.966 126.966 123.573 3.393 18221
865 1 2 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.486 -0.460 18221
866 1 2 . 1 1 72 72 ALA C C 63 178.064 178.064 176.059 2.005 18221
867 1 2 . 1 1 72 72 ALA CA C 63 52.503 52.503 51.834 0.669 18221
868 1 2 . 1 1 72 72 ALA CB C 63 18.225 18.225 18.571 -0.346 18221
869 1 2 . 1 1 72 72 ALA H H 63 8.237 8.237 7.907 0.330 18221
870 1 2 . 1 1 73 73 ALA N N 64 123.432 123.432 126.204 -2.772 18221
871 1 2 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.438 -0.423 18221
872 1 2 . 1 1 73 73 ALA C C 64 178.995 178.995 176.290 2.705 18221
873 1 2 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.430 1.991 18221
874 1 2 . 1 1 73 73 ALA CB C 64 18.003 18.003 20.851 -2.848 18221
875 1 2 . 1 1 73 73 ALA H H 64 8.421 8.421 8.231 0.190 18221
876 1 2 . 1 1 74 74 GLY N N 65 105.577 105.577 112.213 -6.636 18221
877 1 2 . 1 1 74 74 GLY C C 65 176.367 176.367 175.567 0.800 18221
878 1 2 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.991 1.253 18221
879 1 2 . 1 1 74 74 GLY H H 65 8.448 8.448 8.246 0.202 18221
880 1 2 . 1 1 75 75 SER N N 66 117.656 117.656 119.551 -1.895 18221
881 1 2 . 1 1 75 75 SER HA H 66 4.394 4.394 4.134 0.260 18221
882 1 2 . 1 1 75 75 SER C C 66 176.329 176.329 176.557 -0.228 18221
883 1 2 . 1 1 75 75 SER CA C 66 60.236 60.236 60.957 -0.721 18221
884 1 2 . 1 1 75 75 SER CB C 66 62.476 62.476 63.027 -0.551 18221
885 1 2 . 1 1 75 75 SER H H 66 7.899 7.899 8.652 -0.753 18221
886 1 2 . 1 1 76 76 LEU N N 67 122.743 122.743 122.206 0.537 18221
887 1 2 . 1 1 76 76 LEU HA H 67 4.050 4.050 4.014 0.036 18221
888 1 2 . 1 1 76 76 LEU C C 67 178.442 178.442 178.082 0.360 18221
889 1 2 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.833 -0.313 18221
890 1 2 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.885 -1.204 18221
891 1 2 . 1 1 76 76 LEU H H 67 7.955 7.955 8.115 -0.160 18221
892 1 2 . 1 1 77 77 VAL N N 68 118.400 118.400 118.518 -0.118 18221
893 1 2 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.513 -0.042 18221
894 1 2 . 1 1 77 77 VAL C C 68 177.297 177.297 177.803 -0.506 18221
895 1 2 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.634 0.036 18221
896 1 2 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.152 -0.632 18221
897 1 2 . 1 1 77 77 VAL H H 68 8.039 8.039 8.237 -0.198 18221
898 1 2 . 1 1 78 78 ALA N N 69 121.927 121.927 122.140 -0.213 18221
899 1 2 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.089 0.116 18221
900 1 2 . 1 1 78 78 ALA C C 69 181.258 181.258 179.376 1.882 18221
901 1 2 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.352 -0.370 18221
902 1 2 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.028 -0.614 18221
903 1 2 . 1 1 78 78 ALA H H 69 7.631 7.631 7.816 -0.185 18221
904 1 2 . 1 1 79 79 ILE N N 70 119.782 119.782 119.625 0.157 18221
905 1 2 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.698 0.098 18221
906 1 2 . 1 1 79 79 ILE C C 70 178.253 178.253 177.991 0.262 18221
907 1 2 . 1 1 79 79 ILE CA C 70 64.352 64.352 64.882 -0.530 18221
908 1 2 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.863 -0.790 18221
909 1 2 . 1 1 79 79 ILE H H 70 7.841 7.841 7.069 0.772 18221
910 1 2 . 1 1 80 80 LEU N N 71 120.841 120.841 119.418 1.423 18221
911 1 2 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.855 0.082 18221
912 1 2 . 1 1 80 80 LEU C C 71 179.234 179.234 178.750 0.484 18221
913 1 2 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.345 -0.500 18221
914 1 2 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.446 -1.427 18221
915 1 2 . 1 1 80 80 LEU H H 71 8.190 8.190 8.443 -0.253 18221
916 1 2 . 1 1 81 81 GLN N N 72 117.558 117.558 117.835 -0.277 18221
917 1 2 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.916 0.053 18221
918 1 2 . 1 1 81 81 GLN C C 72 178.530 178.530 178.751 -0.221 18221
919 1 2 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.300 -0.481 18221
920 1 2 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.405 -1.125 18221
921 1 2 . 1 1 81 81 GLN H H 72 8.489 8.489 7.951 0.538 18221
922 1 2 . 1 1 82 82 SER N N 73 116.103 116.103 115.276 0.827 18221
923 1 2 . 1 1 82 82 SER HA H 73 4.233 4.233 4.237 -0.004 18221
924 1 2 . 1 1 82 82 SER C C 73 177.243 177.243 177.028 0.215 18221
925 1 2 . 1 1 82 82 SER CA C 73 61.044 61.044 61.664 -0.620 18221
926 1 2 . 1 1 82 82 SER CB C 73 62.257 62.257 63.024 -0.767 18221
927 1 2 . 1 1 82 82 SER H H 73 7.855 7.855 7.989 -0.134 18221
928 1 2 . 1 1 83 83 VAL N N 74 120.362 120.362 121.092 -0.730 18221
929 1 2 . 1 1 83 83 VAL C C 74 177.979 177.979 178.167 -0.188 18221
930 1 2 . 1 1 83 83 VAL CA C 74 65.106 65.106 66.321 -1.215 18221
931 1 2 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.514 -0.773 18221
932 1 2 . 1 1 83 83 VAL H H 74 8.030 8.030 8.282 -0.252 18221
933 1 2 . 1 1 84 84 GLY N N 75 108.223 108.223 106.605 1.618 18221
934 1 2 . 1 1 84 84 GLY C C 75 174.913 174.913 175.219 -0.306 18221
935 1 2 . 1 1 84 84 GLY CA C 75 46.777 46.777 46.919 -0.142 18221
936 1 2 . 1 1 84 84 GLY H H 75 8.369 8.369 7.907 0.462 18221
937 1 2 . 1 1 85 85 ALA N N 76 123.550 123.550 124.678 -1.128 18221
938 1 2 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.040 0.054 18221
939 1 2 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.998 -0.400 18221
940 1 2 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.242 -0.619 18221
941 1 2 . 1 1 85 85 ALA H H 76 8.115 8.115 7.991 0.124 18221
942 1 2 . 1 1 86 86 ALA N N 77 120.410 120.410 121.275 -0.865 18221
943 1 2 . 1 1 86 86 ALA C C 77 178.988 178.988 179.691 -0.703 18221
944 1 2 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.200 -0.364 18221
945 1 2 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.982 -0.472 18221
946 1 2 . 1 1 86 86 ALA H H 77 8.632 8.632 8.193 0.439 18221
947 1 2 . 1 1 87 87 GLY N N 78 105.706 105.706 107.554 -1.848 18221
948 1 2 . 1 1 87 87 GLY C C 78 175.939 175.939 176.123 -0.184 18221
949 1 2 . 1 1 87 87 GLY CA C 78 46.118 46.118 47.092 -0.974 18221
950 1 2 . 1 1 87 87 GLY H H 78 8.196 8.196 8.087 0.109 18221
951 1 2 . 1 1 88 88 LEU N N 79 124.128 124.128 121.668 2.460 18221
952 1 2 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.736 -0.334 18221
953 1 2 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.736 -1.349 18221
954 1 2 . 1 1 88 88 LEU H H 79 8.449 8.449 8.256 0.193 18221
955 1 2 . 1 1 89 89 SER N N 80 116.251 116.251 114.986 1.265 18221
956 1 2 . 1 1 89 89 SER C C 80 179.153 179.153 176.407 2.746 18221
957 1 2 . 1 1 89 89 SER CA C 80 61.023 61.023 62.635 -1.612 18221
958 1 2 . 1 1 89 89 SER CB C 80 62.255 62.255 63.000 -0.745 18221
959 1 2 . 1 1 89 89 SER H H 80 8.120 8.120 8.201 -0.081 18221
960 1 2 . 1 1 90 90 VAL N N 81 119.310 119.310 121.427 -2.117 18221
961 1 2 . 1 1 90 90 VAL C C 81 177.652 177.652 177.547 0.105 18221
962 1 2 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.596 -0.520 18221
963 1 2 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.632 -0.302 18221
964 1 2 . 1 1 90 90 VAL H H 81 7.955 7.955 8.178 -0.223 18221
965 1 2 . 1 1 91 91 THR N N 82 115.535 115.535 116.782 -1.247 18221
966 1 2 . 1 1 91 91 THR C C 82 176.571 176.571 176.703 -0.132 18221
967 1 2 . 1 1 91 91 THR CA C 82 66.434 66.434 67.604 -1.170 18221
968 1 2 . 1 1 91 91 THR CB C 82 67.742 67.742 68.730 -0.988 18221
969 1 2 . 1 1 91 91 THR H H 82 7.888 7.888 8.495 -0.607 18221
970 1 2 . 1 1 92 92 SER N N 83 116.537 116.537 117.848 -1.311 18221
971 1 2 . 1 1 92 92 SER HA H 83 4.040 4.040 4.074 -0.034 18221
972 1 2 . 1 1 92 92 SER C C 83 176.761 176.761 176.633 0.128 18221
973 1 2 . 1 1 92 92 SER CA C 83 61.564 61.564 61.890 -0.326 18221
974 1 2 . 1 1 92 92 SER CB C 83 62.009 62.009 62.564 -0.555 18221
975 1 2 . 1 1 92 92 SER H H 83 8.212 8.212 8.092 0.120 18221
976 1 2 . 1 1 93 93 LYS N N 84 122.353 122.353 121.185 1.168 18221
977 1 2 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.978 0.141 18221
978 1 2 . 1 1 93 93 LYS C C 84 172.812 172.812 179.274 -6.462 18221
979 1 2 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.350 -0.915 18221
980 1 2 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.501 -1.024 18221
981 1 2 . 1 1 93 93 LYS H H 84 7.642 7.642 7.999 -0.357 18221
982 1 2 . 1 1 94 94 VAL N N 85 119.348 119.348 118.594 0.754 18221
983 1 2 . 1 1 94 94 VAL C C 85 177.948 177.948 177.501 0.447 18221
984 1 2 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.456 -0.067 18221
985 1 2 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.427 0.419 18221
986 1 2 . 1 1 94 94 VAL H H 85 8.414 8.414 7.929 0.485 18221
987 1 2 . 1 1 95 95 ILE N N 86 118.769 118.769 117.159 1.610 18221
988 1 2 . 1 1 95 95 ILE C C 86 177.972 177.972 176.394 1.578 18221
989 1 2 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.822 0.015 18221
990 1 2 . 1 1 95 95 ILE CB C 86 36.632 36.632 39.066 -2.434 18221
991 1 2 . 1 1 95 95 ILE H H 86 8.169 8.169 7.761 0.408 18221
992 1 2 . 1 1 96 96 GLY N N 87 107.955 107.955 104.681 3.274 18221
993 1 2 . 1 1 96 96 GLY C C 87 176.571 176.571 174.628 1.943 18221
994 1 2 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.878 1.633 18221
995 1 2 . 1 1 96 96 GLY H H 87 8.182 8.182 8.252 -0.070 18221
996 1 2 . 1 1 97 97 GLY N N 88 109.117 109.117 109.488 -0.371 18221
997 1 2 . 1 1 97 97 GLY C C 88 175.524 175.524 174.650 0.874 18221
998 1 2 . 1 1 97 97 GLY CA C 88 45.832 45.832 46.006 -0.174 18221
999 1 2 . 1 1 97 97 GLY H H 88 7.953 7.953 7.793 0.160 18221
1000 1 2 . 1 1 98 98 PHE N N 89 121.100 121.100 117.013 4.087 18221
1001 1 2 . 1 1 98 98 PHE C C 89 176.367 176.367 175.119 1.248 18221
1002 1 2 . 1 1 98 98 PHE CA C 89 56.900 56.900 58.365 -1.465 18221
1003 1 2 . 1 1 98 98 PHE CB C 89 38.832 38.832 38.301 0.531 18221
1004 1 2 . 1 1 98 98 PHE H H 89 8.000 8.000 8.221 -0.221 18221
1005 1 2 . 1 1 99 99 ALA N N 90 122.834 122.834 128.227 -5.393 18221
1006 1 2 . 1 1 99 99 ALA C C 90 178.348 178.348 178.011 0.337 18221
1007 1 2 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.648 2.629 18221
1008 1 2 . 1 1 99 99 ALA CB C 90 17.414 17.414 20.098 -2.684 18221
1009 1 2 . 1 1 99 99 ALA H H 90 8.322 8.322 8.235 0.087 18221
1010 1 2 . 1 1 100 100 GLY N N 91 106.688 106.688 106.558 0.130 18221
1011 1 2 . 1 1 100 100 GLY C C 91 175.878 175.878 173.815 2.063 18221
1012 1 2 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.151 0.475 18221
1013 1 2 . 1 1 100 100 GLY H H 91 8.000 8.000 8.007 -0.007 18221
1014 1 2 . 1 1 101 101 THR N N 92 115.689 115.689 118.288 -2.599 18221
1015 1 2 . 1 1 101 101 THR C C 92 178.476 178.476 173.461 5.015 18221
1016 1 2 . 1 1 101 101 THR CA C 92 63.364 63.364 63.314 0.050 18221
1017 1 2 . 1 1 101 101 THR CB C 92 69.619 69.619 69.000 0.619 18221
1018 1 2 . 1 1 101 101 THR H H 92 7.754 7.754 8.200 -0.446 18221
1019 1 2 . 1 1 102 102 ALA N N 93 124.835 124.835 127.719 -2.884 18221
1020 1 2 . 1 1 102 102 ALA CA C 93 54.311 54.311 51.862 2.449 18221
1021 1 2 . 1 1 102 102 ALA CB C 93 17.679 17.679 20.276 -2.597 18221
1022 1 2 . 1 1 102 102 ALA H H 93 7.919 7.919 7.882 0.037 18221
1023 1 2 . 1 1 103 103 LEU N N 94 117.445 117.445 119.022 -1.577 18221
1024 1 2 . 1 1 103 103 LEU CA C 94 56.782 56.782 55.792 0.990 18221
1025 1 2 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.094 -0.192 18221
1026 1 2 . 1 1 103 103 LEU H H 94 8.037 8.037 8.451 -0.414 18221
1027 1 2 . 1 1 104 104 GLY N N 95 106.296 106.296 106.519 -0.223 18221
1028 1 2 . 1 1 104 104 GLY C C 95 175.851 175.851 173.063 2.788 18221
1029 1 2 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.124 2.446 18221
1030 1 2 . 1 1 104 104 GLY H H 95 7.900 7.900 7.613 0.287 18221
1031 1 2 . 1 1 105 105 ALA N N 96 123.872 123.872 124.954 -1.082 18221
1032 1 2 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.033 2.093 18221
1033 1 2 . 1 1 105 105 ALA CB C 96 17.587 17.587 18.957 -1.370 18221
1034 1 2 . 1 1 105 105 ALA H H 96 7.804 7.804 7.728 0.076 18221
1035 1 2 . 1 1 106 106 TRP N N 97 120.348 120.348 122.921 -2.573 18221
1036 1 2 . 1 1 106 106 TRP C C 97 176.857 176.857 177.808 -0.951 18221
1037 1 2 . 1 1 106 106 TRP CA C 97 56.900 56.900 55.974 0.926 18221
1038 1 2 . 1 1 106 106 TRP H H 97 8.385 8.385 8.088 0.297 18221
1039 1 2 . 1 1 107 107 LEU N N 98 117.756 117.756 120.969 -3.213 18221
1040 1 2 . 1 1 107 107 LEU C C 98 177.659 177.659 177.709 -0.050 18221
1041 1 2 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.900 -0.797 18221
1042 1 2 . 1 1 107 107 LEU CB C 98 41.418 41.418 41.587 -0.169 18221
1043 1 2 . 1 1 107 107 LEU H H 98 7.880 7.880 8.492 -0.612 18221
1044 1 2 . 1 1 108 108 GLY N N 99 107.285 107.285 109.277 -1.992 18221
1045 1 2 . 1 1 108 108 GLY C C 99 173.815 173.815 174.258 -0.443 18221
1046 1 2 . 1 1 108 108 GLY CA C 99 44.947 44.947 45.528 -0.581 18221
1047 1 2 . 1 1 108 108 GLY H H 99 7.694 7.694 8.452 -0.758 18221
1048 1 2 . 1 1 109 109 SER N N 100 117.139 117.139 117.381 -0.242 18221
1049 1 2 . 1 1 109 109 SER C C 100 172.179 172.179 172.461 -0.282 18221
1050 1 2 . 1 1 109 109 SER CA C 100 56.015 56.015 56.482 -0.467 18221
1051 1 2 . 1 1 109 109 SER CB C 100 62.771 62.771 65.231 -2.459 18221
1052 1 2 . 1 1 109 109 SER H H 100 8.030 8.030 8.222 -0.192 18221
1053 1 2 . 1 1 111 111 PRO C C 102 177.073 177.073 175.983 1.090 18221
1054 1 2 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.076 -0.877 18221
1055 1 2 . 1 1 111 111 PRO CB C 102 31.211 31.211 30.490 0.721 18221
1056 1 2 . 1 1 112 112 SER N N 103 117.115 117.115 116.846 0.269 18221
1057 1 2 . 1 1 112 112 SER C C 103 173.898 173.898 172.783 1.115 18221
1058 1 2 . 1 1 112 112 SER CA C 103 57.904 57.904 59.307 -1.403 18221
1059 1 2 . 1 1 112 112 SER CB C 103 63.360 63.360 64.230 -0.870 18221
1060 1 2 . 1 1 112 112 SER H H 103 8.345 8.345 7.939 0.406 18221
1061 1 3 . 1 1 11 11 GLY N N 2 109.366 109.366 111.040 -1.674 18221
1062 1 3 . 1 1 11 11 GLY C C 2 174.543 174.543 172.414 2.129 18221
1063 1 3 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.045 0.650 18221
1064 1 3 . 1 1 11 11 GLY H H 2 8.271 8.271 8.432 -0.161 18221
1065 1 3 . 1 1 12 12 LYS N N 3 121.129 121.129 119.788 1.341 18221
1066 1 3 . 1 1 12 12 LYS HA H 3 4.132 4.132 3.833 0.299 18221
1067 1 3 . 1 1 12 12 LYS C C 3 177.234 177.234 174.975 2.259 18221
1068 1 3 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.457 0.355 18221
1069 1 3 . 1 1 12 12 LYS CB C 3 31.846 31.846 32.812 -0.966 18221
1070 1 3 . 1 1 12 12 LYS H H 3 8.057 8.057 7.994 0.063 18221
1071 1 3 . 1 1 13 13 GLU N N 4 120.318 120.318 122.128 -1.810 18221
1072 1 3 . 1 1 13 13 GLU HA H 4 4.155 4.155 3.593 0.562 18221
1073 1 3 . 1 1 13 13 GLU C C 4 176.857 176.857 176.490 0.367 18221
1074 1 3 . 1 1 13 13 GLU CA C 4 56.871 56.871 56.867 0.004 18221
1075 1 3 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.149 -1.761 18221
1076 1 3 . 1 1 13 13 GLU H H 4 8.398 8.398 8.403 -0.005 18221
1077 1 3 . 1 1 14 14 SER N N 5 115.504 115.504 115.089 0.415 18221
1078 1 3 . 1 1 14 14 SER HA H 5 3.843 3.843 4.508 -0.665 18221
1079 1 3 . 1 1 14 14 SER C C 5 175.337 175.337 175.505 -0.168 18221
1080 1 3 . 1 1 14 14 SER CA C 5 58.524 58.524 58.268 0.256 18221
1081 1 3 . 1 1 14 14 SER CB C 5 63.360 63.360 63.302 0.058 18221
1082 1 3 . 1 1 14 14 SER H H 5 8.089 8.089 7.956 0.133 18221
1083 1 3 . 1 1 15 15 GLY N N 6 110.761 110.761 114.958 -4.197 18221
1084 1 3 . 1 1 15 15 GLY C C 6 174.581 174.581 174.202 0.379 18221
1085 1 3 . 1 1 15 15 GLY CA C 6 45.566 45.566 44.732 0.834 18221
1086 1 3 . 1 1 15 15 GLY H H 6 8.197 8.197 8.826 -0.629 18221
1087 1 3 . 1 1 16 16 TRP N N 7 121.800 121.800 122.901 -1.101 18221
1088 1 3 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.341 0.219 18221
1089 1 3 . 1 1 16 16 TRP C C 7 176.920 176.920 175.434 1.486 18221
1090 1 3 . 1 1 16 16 TRP CA C 7 58.081 58.081 58.244 -0.163 18221
1091 1 3 . 1 1 16 16 TRP CB C 7 28.679 28.679 28.344 0.335 18221
1092 1 3 . 1 1 16 16 TRP H H 7 8.184 8.184 8.030 0.154 18221
1093 1 3 . 1 1 17 17 ASP N N 8 121.132 121.132 123.264 -2.132 18221
1094 1 3 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.700 -0.305 18221
1095 1 3 . 1 1 17 17 ASP C C 8 176.941 176.941 175.594 1.347 18221
1096 1 3 . 1 1 17 17 ASP CA C 8 56.244 56.244 53.899 2.345 18221
1097 1 3 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.918 -1.973 18221
1098 1 3 . 1 1 17 17 ASP H H 8 8.332 8.332 8.125 0.207 18221
1099 1 3 . 1 1 18 18 SER N N 9 116.148 116.148 119.071 -2.923 18221
1100 1 3 . 1 1 18 18 SER HA H 9 3.861 3.861 4.532 -0.671 18221
1101 1 3 . 1 1 18 18 SER CA C 9 60.081 60.081 58.335 1.746 18221
1102 1 3 . 1 1 18 18 SER CB C 9 62.255 62.255 64.060 -1.805 18221
1103 1 3 . 1 1 18 18 SER H H 9 8.129 8.129 8.269 -0.140 18221
1104 1 3 . 1 1 19 19 GLY N N 10 110.747 110.747 109.673 1.074 18221
1105 1 3 . 1 1 19 19 GLY C C 10 174.682 174.682 175.910 -1.228 18221
1106 1 3 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.625 0.975 18221
1107 1 3 . 1 1 19 19 GLY H H 10 8.216 8.216 8.226 -0.010 18221
1108 1 3 . 1 1 20 20 ARG N N 11 121.405 121.405 120.249 1.156 18221
1109 1 3 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.206 -0.349 18221
1110 1 3 . 1 1 20 20 ARG C C 11 178.328 178.328 179.134 -0.806 18221
1111 1 3 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.322 0.763 18221
1112 1 3 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.230 -1.183 18221
1113 1 3 . 1 1 20 20 ARG H H 11 8.158 8.158 8.573 -0.415 18221
1114 1 3 . 1 1 21 21 ALA N N 12 122.167 122.167 122.953 -0.786 18221
1115 1 3 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.091 0.009 18221
1116 1 3 . 1 1 21 21 ALA C C 12 180.129 180.129 179.517 0.612 18221
1117 1 3 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.774 -0.382 18221
1118 1 3 . 1 1 21 21 ALA CB C 12 17.414 17.414 18.067 -0.653 18221
1119 1 3 . 1 1 21 21 ALA H H 12 7.963 7.963 8.333 -0.370 18221
1120 1 3 . 1 1 22 22 ALA N N 13 122.150 122.150 121.560 0.590 18221
1121 1 3 . 1 1 22 22 ALA HA H 13 4.037 4.037 4.028 0.009 18221
1122 1 3 . 1 1 22 22 ALA C C 13 179.095 179.095 179.990 -0.895 18221
1123 1 3 . 1 1 22 22 ALA CA C 13 54.716 54.716 55.016 -0.300 18221
1124 1 3 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.054 -0.493 18221
1125 1 3 . 1 1 22 22 ALA H H 13 7.881 7.881 8.399 -0.518 18221
1126 1 3 . 1 1 23 23 VAL N N 14 117.107 117.107 119.172 -2.065 18221
1127 1 3 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.557 -0.077 18221
1128 1 3 . 1 1 23 23 VAL C C 14 177.586 177.586 178.248 -0.662 18221
1129 1 3 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.658 0.540 18221
1130 1 3 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.780 -0.260 18221
1131 1 3 . 1 1 23 23 VAL H H 14 7.888 7.888 7.976 -0.088 18221
1132 1 3 . 1 1 24 24 ALA N N 15 121.333 121.333 121.541 -0.208 18221
1133 1 3 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.963 0.018 18221
1134 1 3 . 1 1 24 24 ALA C C 15 180.373 180.373 179.440 0.933 18221
1135 1 3 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.147 -0.136 18221
1136 1 3 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.856 -0.604 18221
1137 1 3 . 1 1 24 24 ALA H H 15 8.037 8.037 7.833 0.204 18221
1138 1 3 . 1 1 25 25 ALA N N 16 121.158 121.158 119.444 1.714 18221
1139 1 3 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.125 0.021 18221
1140 1 3 . 1 1 25 25 ALA C C 16 179.828 179.828 178.718 1.110 18221
1141 1 3 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.818 -0.367 18221
1142 1 3 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.489 -1.002 18221
1143 1 3 . 1 1 25 25 ALA H H 16 7.819 7.819 7.886 -0.067 18221
1144 1 3 . 1 1 26 26 VAL N N 17 118.417 118.417 116.359 2.058 18221
1145 1 3 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.927 -0.149 18221
1146 1 3 . 1 1 26 26 VAL C C 17 178.020 178.020 177.692 0.328 18221
1147 1 3 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.751 1.827 18221
1148 1 3 . 1 1 26 26 VAL CB C 17 31.085 31.085 32.071 -0.986 18221
1149 1 3 . 1 1 26 26 VAL H H 17 7.848 7.848 7.588 0.260 18221
1150 1 3 . 1 1 27 27 VAL N N 18 119.240 119.240 115.689 3.551 18221
1151 1 3 . 1 1 27 27 VAL C C 18 177.719 177.719 176.973 0.746 18221
1152 1 3 . 1 1 27 27 VAL CA C 18 65.991 65.991 63.284 2.707 18221
1153 1 3 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.205 -2.018 18221
1154 1 3 . 1 1 27 27 VAL H H 18 8.377 8.377 7.512 0.865 18221
1155 1 3 . 1 1 28 28 GLY N N 19 106.009 106.009 109.200 -3.191 18221
1156 1 3 . 1 1 28 28 GLY C C 19 176.212 176.212 174.577 1.635 18221
1157 1 3 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.007 0.237 18221
1158 1 3 . 1 1 28 28 GLY H H 19 8.122 8.122 8.009 0.113 18221
1159 1 3 . 1 1 29 29 GLY N N 20 110.216 110.216 113.973 -3.757 18221
1160 1 3 . 1 1 29 29 GLY C C 20 174.097 174.097 175.130 -1.033 18221
1161 1 3 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.568 1.766 18221
1162 1 3 . 1 1 29 29 GLY H H 20 8.039 8.039 7.786 0.253 18221
1163 1 3 . 1 1 30 30 VAL N N 21 121.188 121.188 121.262 -0.074 18221
1164 1 3 . 1 1 30 30 VAL C C 21 177.073 177.073 177.461 -0.388 18221
1165 1 3 . 1 1 30 30 VAL CA C 21 62.574 62.574 66.744 -4.170 18221
1166 1 3 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.741 -0.951 18221
1167 1 3 . 1 1 30 30 VAL H H 21 7.983 7.983 7.515 0.468 18221
1168 1 3 . 1 1 32 32 ALA N N 23 125.091 125.091 121.799 3.292 18221
1169 1 3 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.004 0.256 18221
1170 1 3 . 1 1 32 32 ALA C C 23 179.523 179.523 179.564 -0.041 18221
1171 1 3 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.155 -1.472 18221
1172 1 3 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.043 -1.660 18221
1173 1 3 . 1 1 32 32 ALA H H 23 8.036 8.036 7.963 0.073 18221
1174 1 3 . 1 1 33 33 VAL N N 24 118.793 118.793 117.599 1.194 18221
1175 1 3 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.777 -0.069 18221
1176 1 3 . 1 1 33 33 VAL C C 24 177.901 177.901 178.524 -0.623 18221
1177 1 3 . 1 1 33 33 VAL CA C 24 65.430 65.430 64.548 0.882 18221
1178 1 3 . 1 1 33 33 VAL CB C 24 31.318 31.318 30.638 0.680 18221
1179 1 3 . 1 1 33 33 VAL H H 24 8.195 8.195 8.330 -0.135 18221
1180 1 3 . 1 1 34 34 GLY N N 25 108.367 108.367 108.765 -0.398 18221
1181 1 3 . 1 1 34 34 GLY C C 25 175.424 175.424 175.698 -0.274 18221
1182 1 3 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.516 -0.182 18221
1183 1 3 . 1 1 34 34 GLY H H 25 8.651 8.651 8.305 0.346 18221
1184 1 3 . 1 1 35 35 THR N N 26 116.448 116.448 117.850 -1.402 18221
1185 1 3 . 1 1 35 35 THR C C 26 176.843 176.843 176.840 0.003 18221
1186 1 3 . 1 1 35 35 THR CA C 26 65.962 65.962 66.266 -0.304 18221
1187 1 3 . 1 1 35 35 THR CB C 26 68.414 68.414 68.893 -0.479 18221
1188 1 3 . 1 1 35 35 THR H H 26 7.975 7.975 8.358 -0.383 18221
1189 1 3 . 1 1 36 36 VAL N N 27 122.810 122.810 121.634 1.176 18221
1190 1 3 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.560 0.159 18221
1191 1 3 . 1 1 36 36 VAL C C 27 177.618 177.618 177.618 0.000 18221
1192 1 3 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.353 -0.627 18221
1193 1 3 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.711 -1.044 18221
1194 1 3 . 1 1 36 36 VAL H H 27 7.559 7.559 8.000 -0.441 18221
1195 1 3 . 1 1 37 37 LEU N N 28 119.566 119.566 120.527 -0.961 18221
1196 1 3 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.901 0.052 18221
1197 1 3 . 1 1 37 37 LEU C C 28 179.666 179.666 178.542 1.124 18221
1198 1 3 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.325 -0.480 18221
1199 1 3 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.862 -1.696 18221
1200 1 3 . 1 1 37 37 LEU H H 28 8.086 8.086 7.804 0.282 18221
1201 1 3 . 1 1 38 38 VAL N N 29 119.468 119.468 117.970 1.498 18221
1202 1 3 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.450 0.203 18221
1203 1 3 . 1 1 38 38 VAL C C 29 178.639 178.639 177.994 0.645 18221
1204 1 3 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.515 -1.042 18221
1205 1 3 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.200 -0.591 18221
1206 1 3 . 1 1 38 38 VAL H H 29 8.066 8.066 8.388 -0.322 18221
1207 1 3 . 1 1 39 39 ALA N N 30 124.255 124.255 122.633 1.622 18221
1208 1 3 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.053 0.112 18221
1209 1 3 . 1 1 39 39 ALA C C 30 180.303 180.303 179.563 0.740 18221
1210 1 3 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.257 -0.423 18221
1211 1 3 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.207 -0.499 18221
1212 1 3 . 1 1 39 39 ALA H H 30 7.688 7.688 7.852 -0.164 18221
1213 1 3 . 1 1 40 40 LEU N N 31 118.268 118.268 119.349 -1.081 18221
1214 1 3 . 1 1 40 40 LEU HA H 31 4.141 4.141 3.944 0.197 18221
1215 1 3 . 1 1 40 40 LEU C C 31 179.271 179.271 178.567 0.704 18221
1216 1 3 . 1 1 40 40 LEU CA C 31 57.078 57.078 58.167 -1.089 18221
1217 1 3 . 1 1 40 40 LEU CB C 31 40.902 40.902 41.715 -0.813 18221
1218 1 3 . 1 1 40 40 LEU H H 31 8.326 8.326 8.071 0.255 18221
1219 1 3 . 1 1 41 41 SER N N 32 114.984 114.984 113.183 1.801 18221
1220 1 3 . 1 1 41 41 SER HA H 32 3.952 3.952 3.983 -0.031 18221
1221 1 3 . 1 1 41 41 SER C C 32 176.284 176.284 176.855 -0.571 18221
1222 1 3 . 1 1 41 41 SER CA C 32 60.885 60.885 61.144 -0.259 18221
1223 1 3 . 1 1 41 41 SER CB C 32 62.410 62.410 63.068 -0.658 18221
1224 1 3 . 1 1 41 41 SER H H 32 8.062 8.062 8.101 -0.039 18221
1225 1 3 . 1 1 42 42 ALA N N 33 124.588 124.588 123.075 1.513 18221
1226 1 3 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.078 0.147 18221
1227 1 3 . 1 1 42 42 ALA C C 33 179.033 179.033 179.128 -0.095 18221
1228 1 3 . 1 1 42 42 ALA CA C 33 53.713 53.713 54.602 -0.889 18221
1229 1 3 . 1 1 42 42 ALA CB C 33 17.929 17.929 18.999 -1.070 18221
1230 1 3 . 1 1 42 42 ALA H H 33 7.813 7.813 7.905 -0.092 18221
1231 1 3 . 1 1 43 43 MET N N 34 116.808 116.808 113.569 3.239 18221
1232 1 3 . 1 1 43 43 MET HA H 34 4.285 4.285 3.904 0.381 18221
1233 1 3 . 1 1 43 43 MET C C 34 176.807 176.807 177.136 -0.329 18221
1234 1 3 . 1 1 43 43 MET CA C 34 56.576 56.576 57.889 -1.313 18221
1235 1 3 . 1 1 43 43 MET CB C 34 32.435 32.435 31.657 0.778 18221
1236 1 3 . 1 1 43 43 MET H H 34 7.691 7.691 8.195 -0.504 18221
1237 1 3 . 1 1 44 44 GLY N N 35 107.020 107.020 106.093 0.927 18221
1238 1 3 . 1 1 44 44 GLY C C 35 174.493 174.493 174.129 0.364 18221
1239 1 3 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.686 -0.621 18221
1240 1 3 . 1 1 44 44 GLY H H 35 7.793 7.793 8.493 -0.700 18221
1241 1 3 . 1 1 45 45 PHE N N 36 120.285 120.285 117.403 2.882 18221
1242 1 3 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.934 -0.427 18221
1243 1 3 . 1 1 45 45 PHE C C 36 176.876 176.876 174.110 2.766 18221
1244 1 3 . 1 1 45 45 PHE CA C 36 58.937 58.937 57.054 1.883 18221
1245 1 3 . 1 1 45 45 PHE CB C 36 38.178 38.178 38.768 -0.590 18221
1246 1 3 . 1 1 45 45 PHE H H 36 8.215 8.215 7.719 0.496 18221
1247 1 3 . 1 1 46 46 THR N N 37 114.008 114.008 116.278 -2.270 18221
1248 1 3 . 1 1 46 46 THR HA H 37 4.080 4.080 4.510 -0.430 18221
1249 1 3 . 1 1 46 46 THR C C 37 175.751 175.751 173.224 2.527 18221
1250 1 3 . 1 1 46 46 THR CA C 37 64.220 64.220 60.667 3.553 18221
1251 1 3 . 1 1 46 46 THR CB C 37 68.514 68.514 70.117 -1.603 18221
1252 1 3 . 1 1 46 46 THR H H 37 8.111 8.111 7.750 0.361 18221
1253 1 3 . 1 1 47 47 SER N N 38 116.646 116.646 116.457 0.189 18221
1254 1 3 . 1 1 47 47 SER HA H 38 3.918 3.918 4.437 -0.519 18221
1255 1 3 . 1 1 47 47 SER C C 38 176.744 176.744 175.412 1.332 18221
1256 1 3 . 1 1 47 47 SER CA C 38 59.911 59.911 59.635 0.276 18221
1257 1 3 . 1 1 47 47 SER CB C 38 62.624 62.624 63.285 -0.661 18221
1258 1 3 . 1 1 47 47 SER H H 38 8.079 8.079 8.543 -0.464 18221
1259 1 3 . 1 1 48 48 VAL N N 39 121.929 121.929 123.407 -1.478 18221
1260 1 3 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.838 0.071 18221
1261 1 3 . 1 1 48 48 VAL C C 39 177.033 177.033 177.479 -0.446 18221
1262 1 3 . 1 1 48 48 VAL CA C 39 64.988 64.988 66.102 -1.114 18221
1263 1 3 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.490 -0.823 18221
1264 1 3 . 1 1 48 48 VAL H H 39 7.985 7.985 8.039 -0.054 18221
1265 1 3 . 1 1 49 49 GLY N N 40 108.633 108.633 107.705 0.928 18221
1266 1 3 . 1 1 49 49 GLY C C 40 176.038 176.038 176.792 -0.754 18221
1267 1 3 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.362 -0.497 18221
1268 1 3 . 1 1 49 49 GLY H H 40 8.267 8.267 8.402 -0.135 18221
1269 1 3 . 1 1 50 50 ILE N N 41 122.466 122.466 121.955 0.511 18221
1270 1 3 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.673 0.198 18221
1271 1 3 . 1 1 50 50 ILE C C 41 178.363 178.363 177.849 0.514 18221
1272 1 3 . 1 1 50 50 ILE CA C 41 63.515 63.515 63.569 -0.054 18221
1273 1 3 . 1 1 50 50 ILE CB C 41 37.238 37.238 36.903 0.335 18221
1274 1 3 . 1 1 50 50 ILE H H 41 7.865 7.865 7.921 -0.056 18221
1275 1 3 . 1 1 51 51 ALA N N 42 125.064 125.064 121.526 3.538 18221
1276 1 3 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.977 0.122 18221
1277 1 3 . 1 1 51 51 ALA C C 42 179.385 179.385 179.556 -0.171 18221
1278 1 3 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.145 -0.665 18221
1279 1 3 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.980 -0.493 18221
1280 1 3 . 1 1 51 51 ALA H H 42 7.930 7.930 8.189 -0.259 18221
1281 1 3 . 1 1 52 52 ALA N N 43 120.594 120.594 120.476 0.118 18221
1282 1 3 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.107 -0.170 18221
1283 1 3 . 1 1 52 52 ALA C C 43 179.088 179.088 179.921 -0.833 18221
1284 1 3 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.771 0.329 18221
1285 1 3 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.111 -0.476 18221
1286 1 3 . 1 1 52 52 ALA H H 43 8.639 8.639 8.146 0.493 18221
1287 1 3 . 1 1 53 53 SER N N 44 113.012 113.012 115.163 -2.151 18221
1288 1 3 . 1 1 53 53 SER HA H 44 3.966 3.966 4.283 -0.317 18221
1289 1 3 . 1 1 53 53 SER C C 44 176.898 176.898 176.604 0.294 18221
1290 1 3 . 1 1 53 53 SER CA C 44 61.139 61.139 61.250 -0.111 18221
1291 1 3 . 1 1 53 53 SER CB C 44 62.347 62.347 62.736 -0.389 18221
1292 1 3 . 1 1 53 53 SER H H 44 8.193 8.193 8.093 0.100 18221
1293 1 3 . 1 1 54 54 SER N N 45 118.714 118.714 118.780 -0.066 18221
1294 1 3 . 1 1 54 54 SER HA H 45 3.975 3.975 4.175 -0.200 18221
1295 1 3 . 1 1 54 54 SER C C 45 177.131 177.131 176.919 0.212 18221
1296 1 3 . 1 1 54 54 SER CA C 45 61.210 61.210 61.952 -0.742 18221
1297 1 3 . 1 1 54 54 SER CB C 45 62.255 62.255 62.816 -0.562 18221
1298 1 3 . 1 1 54 54 SER H H 45 7.944 7.944 8.267 -0.323 18221
1299 1 3 . 1 1 55 55 ILE N N 46 122.912 122.912 121.201 1.711 18221
1300 1 3 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.724 0.033 18221
1301 1 3 . 1 1 55 55 ILE C C 46 177.813 177.813 176.373 1.440 18221
1302 1 3 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.270 -0.079 18221
1303 1 3 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.969 -1.043 18221
1304 1 3 . 1 1 55 55 ILE H H 46 8.028 8.028 8.063 -0.035 18221
1305 1 3 . 1 1 56 56 ALA N N 47 122.990 122.990 120.768 2.222 18221
1306 1 3 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.063 -0.107 18221
1307 1 3 . 1 1 56 56 ALA C C 47 180.294 180.294 178.970 1.324 18221
1308 1 3 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.579 -0.241 18221
1309 1 3 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.826 -1.124 18221
1310 1 3 . 1 1 56 56 ALA H H 47 8.333 8.333 7.695 0.638 18221
1311 1 3 . 1 1 57 57 ALA N N 48 121.988 121.988 119.815 2.173 18221
1312 1 3 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.126 -0.058 18221
1313 1 3 . 1 1 57 57 ALA CA C 48 54.421 54.421 53.807 0.614 18221
1314 1 3 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.232 -1.530 18221
1315 1 3 . 1 1 57 57 ALA H H 48 7.879 7.879 7.929 -0.050 18221
1316 1 3 . 1 1 58 58 LYS N N 49 119.094 119.094 113.779 5.315 18221
1317 1 3 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.940 0.206 18221
1318 1 3 . 1 1 58 58 LYS C C 49 179.649 179.649 176.150 3.499 18221
1319 1 3 . 1 1 58 58 LYS CA C 49 57.157 57.157 58.825 -1.669 18221
1320 1 3 . 1 1 58 58 LYS CB C 49 31.330 31.330 31.564 -0.234 18221
1321 1 3 . 1 1 58 58 LYS H H 49 7.727 7.727 8.494 -0.767 18221
1322 1 3 . 1 1 59 59 MET N N 50 120.498 120.498 118.289 2.209 18221
1323 1 3 . 1 1 59 59 MET HA H 50 4.156 4.156 4.623 -0.467 18221
1324 1 3 . 1 1 59 59 MET C C 50 177.949 177.949 176.187 1.762 18221
1325 1 3 . 1 1 59 59 MET CA C 50 57.136 57.136 55.234 1.902 18221
1326 1 3 . 1 1 59 59 MET CB C 50 31.922 31.922 34.020 -2.098 18221
1327 1 3 . 1 1 59 59 MET H H 50 8.395 8.395 8.240 0.155 18221
1328 1 3 . 1 1 60 60 MET N N 51 117.689 117.689 123.045 -5.356 18221
1329 1 3 . 1 1 60 60 MET HA H 51 4.222 4.222 4.122 0.100 18221
1330 1 3 . 1 1 60 60 MET C C 51 177.674 177.674 174.812 2.862 18221
1331 1 3 . 1 1 60 60 MET CA C 51 57.638 57.638 56.570 1.068 18221
1332 1 3 . 1 1 60 60 MET CB C 51 31.785 31.785 31.286 0.499 18221
1333 1 3 . 1 1 60 60 MET H H 51 8.234 8.234 8.591 -0.357 18221
1334 1 3 . 1 1 61 61 SER N N 52 114.385 114.385 117.588 -3.203 18221
1335 1 3 . 1 1 61 61 SER HA H 52 4.001 4.001 4.746 -0.745 18221
1336 1 3 . 1 1 61 61 SER C C 52 176.079 176.079 173.768 2.311 18221
1337 1 3 . 1 1 61 61 SER CA C 52 59.911 59.911 58.427 1.484 18221
1338 1 3 . 1 1 61 61 SER CB C 52 62.624 62.624 64.257 -1.633 18221
1339 1 3 . 1 1 61 61 SER H H 52 7.893 7.893 8.109 -0.216 18221
1340 1 3 . 1 1 62 62 THR N N 53 117.304 117.304 119.434 -2.130 18221
1341 1 3 . 1 1 62 62 THR HA H 53 4.104 4.104 4.570 -0.466 18221
1342 1 3 . 1 1 62 62 THR C C 53 175.436 175.436 172.725 2.711 18221
1343 1 3 . 1 1 62 62 THR CA C 53 64.220 64.220 62.105 2.115 18221
1344 1 3 . 1 1 62 62 THR CB C 53 68.514 68.514 69.725 -1.211 18221
1345 1 3 . 1 1 62 62 THR H H 53 7.794 7.794 8.038 -0.244 18221
1346 1 3 . 1 1 63 63 ALA N N 54 125.382 125.382 123.690 1.692 18221
1347 1 3 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.654 -0.560 18221
1348 1 3 . 1 1 63 63 ALA C C 54 178.328 178.328 176.264 2.064 18221
1349 1 3 . 1 1 63 63 ALA CA C 54 54.096 54.096 51.626 2.470 18221
1350 1 3 . 1 1 63 63 ALA CB C 54 17.708 17.708 20.305 -2.597 18221
1351 1 3 . 1 1 63 63 ALA H H 54 8.204 8.204 8.183 0.021 18221
1352 1 3 . 1 1 64 64 ALA N N 55 119.929 119.929 123.167 -3.238 18221
1353 1 3 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.116 0.009 18221
1354 1 3 . 1 1 64 64 ALA C C 55 179.183 179.183 176.822 2.361 18221
1355 1 3 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.525 1.512 18221
1356 1 3 . 1 1 64 64 ALA CB C 55 17.708 17.708 18.223 -0.515 18221
1357 1 3 . 1 1 64 64 ALA H H 55 7.951 7.951 8.197 -0.246 18221
1358 1 3 . 1 1 65 65 ILE N N 56 117.016 117.016 120.767 -3.751 18221
1359 1 3 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.063 -0.113 18221
1360 1 3 . 1 1 65 65 ILE C C 56 177.222 177.222 175.481 1.741 18221
1361 1 3 . 1 1 65 65 ILE CA C 56 62.184 62.184 61.519 0.665 18221
1362 1 3 . 1 1 65 65 ILE CB C 56 37.073 37.073 36.170 0.903 18221
1363 1 3 . 1 1 65 65 ILE H H 56 7.561 7.561 8.145 -0.584 18221
1364 1 3 . 1 1 66 66 ALA N N 57 124.191 124.191 129.152 -4.961 18221
1365 1 3 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.612 -0.435 18221
1366 1 3 . 1 1 66 66 ALA C C 57 178.190 178.190 176.377 1.813 18221
1367 1 3 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.104 1.432 18221
1368 1 3 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.543 -1.614 18221
1369 1 3 . 1 1 66 66 ALA H H 57 7.982 7.982 7.704 0.278 18221
1370 1 3 . 1 1 67 67 ASN N N 58 116.132 116.132 119.411 -3.279 18221
1371 1 3 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.482 0.191 18221
1372 1 3 . 1 1 67 67 ASN C C 58 176.344 176.344 174.299 2.045 18221
1373 1 3 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.769 -0.292 18221
1374 1 3 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.485 -0.013 18221
1375 1 3 . 1 1 67 67 ASN H H 58 8.113 8.113 8.486 -0.373 18221
1376 1 3 . 1 1 68 68 GLY N N 59 108.808 108.808 107.168 1.640 18221
1377 1 3 . 1 1 68 68 GLY C C 59 174.958 174.958 172.975 1.983 18221
1378 1 3 . 1 1 68 68 GLY CA C 59 45.655 45.655 44.660 0.994 18221
1379 1 3 . 1 1 68 68 GLY H H 59 8.152 8.152 7.873 0.279 18221
1380 1 3 . 1 1 69 69 GLY N N 60 108.832 108.832 107.857 0.975 18221
1381 1 3 . 1 1 69 69 GLY C C 60 174.631 174.631 174.859 -0.228 18221
1382 1 3 . 1 1 69 69 GLY CA C 60 45.419 45.419 45.547 -0.128 18221
1383 1 3 . 1 1 69 69 GLY H H 60 8.218 8.218 8.414 -0.196 18221
1384 1 3 . 1 1 70 70 GLY N N 61 108.966 108.966 112.164 -3.198 18221
1385 1 3 . 1 1 70 70 GLY C C 61 174.594 174.594 173.775 0.819 18221
1386 1 3 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.876 0.485 18221
1387 1 3 . 1 1 70 70 GLY H H 61 8.175 8.175 7.599 0.576 18221
1388 1 3 . 1 1 71 71 VAL N N 62 120.209 120.209 116.083 4.126 18221
1389 1 3 . 1 1 71 71 VAL HA H 62 4.006 4.006 4.288 -0.282 18221
1390 1 3 . 1 1 71 71 VAL C C 62 176.077 176.077 177.359 -1.282 18221
1391 1 3 . 1 1 71 71 VAL CA C 62 62.390 62.390 62.323 0.067 18221
1392 1 3 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.018 -0.320 18221
1393 1 3 . 1 1 71 71 VAL H H 62 7.882 7.882 8.217 -0.335 18221
1394 1 3 . 1 1 72 72 ALA N N 63 126.966 126.966 124.115 2.851 18221
1395 1 3 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.042 -0.016 18221
1396 1 3 . 1 1 72 72 ALA C C 63 178.064 178.064 177.488 0.576 18221
1397 1 3 . 1 1 72 72 ALA CA C 63 52.503 52.503 53.790 -1.287 18221
1398 1 3 . 1 1 72 72 ALA CB C 63 18.225 18.225 18.634 -0.409 18221
1399 1 3 . 1 1 72 72 ALA H H 63 8.237 8.237 8.073 0.164 18221
1400 1 3 . 1 1 73 73 ALA N N 64 123.432 123.432 120.198 3.234 18221
1401 1 3 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.100 -0.085 18221
1402 1 3 . 1 1 73 73 ALA C C 64 178.995 178.995 177.145 1.850 18221
1403 1 3 . 1 1 73 73 ALA CA C 64 54.421 54.421 53.040 1.381 18221
1404 1 3 . 1 1 73 73 ALA CB C 64 18.003 18.003 19.120 -1.117 18221
1405 1 3 . 1 1 73 73 ALA H H 64 8.421 8.421 7.860 0.561 18221
1406 1 3 . 1 1 74 74 GLY N N 65 105.577 105.577 108.193 -2.616 18221
1407 1 3 . 1 1 74 74 GLY C C 65 176.367 176.367 175.251 1.116 18221
1408 1 3 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.292 1.952 18221
1409 1 3 . 1 1 74 74 GLY H H 65 8.448 8.448 7.863 0.585 18221
1410 1 3 . 1 1 75 75 SER N N 66 117.656 117.656 116.292 1.364 18221
1411 1 3 . 1 1 75 75 SER HA H 66 4.394 4.394 4.202 0.192 18221
1412 1 3 . 1 1 75 75 SER C C 66 176.329 176.329 176.339 -0.010 18221
1413 1 3 . 1 1 75 75 SER CA C 66 60.236 60.236 61.710 -1.474 18221
1414 1 3 . 1 1 75 75 SER CB C 66 62.476 62.476 63.122 -0.646 18221
1415 1 3 . 1 1 75 75 SER H H 66 7.899 7.899 8.698 -0.799 18221
1416 1 3 . 1 1 76 76 LEU N N 67 122.743 122.743 122.347 0.396 18221
1417 1 3 . 1 1 76 76 LEU HA H 67 4.050 4.050 4.021 0.029 18221
1418 1 3 . 1 1 76 76 LEU C C 67 178.442 178.442 178.354 0.088 18221
1419 1 3 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.815 -0.295 18221
1420 1 3 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.904 -1.223 18221
1421 1 3 . 1 1 76 76 LEU H H 67 7.955 7.955 7.862 0.093 18221
1422 1 3 . 1 1 77 77 VAL N N 68 118.400 118.400 118.932 -0.532 18221
1423 1 3 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.541 -0.070 18221
1424 1 3 . 1 1 77 77 VAL C C 68 177.297 177.297 177.336 -0.039 18221
1425 1 3 . 1 1 77 77 VAL CA C 68 66.670 66.670 65.962 0.708 18221
1426 1 3 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.099 -0.579 18221
1427 1 3 . 1 1 77 77 VAL H H 68 8.039 8.039 8.090 -0.051 18221
1428 1 3 . 1 1 78 78 ALA N N 69 121.927 121.927 122.041 -0.114 18221
1429 1 3 . 1 1 78 78 ALA HA H 69 4.205 4.205 3.983 0.222 18221
1430 1 3 . 1 1 78 78 ALA C C 69 181.258 181.258 179.641 1.617 18221
1431 1 3 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.408 -0.426 18221
1432 1 3 . 1 1 78 78 ALA CB C 69 17.414 17.414 17.946 -0.532 18221
1433 1 3 . 1 1 78 78 ALA H H 69 7.631 7.631 7.970 -0.339 18221
1434 1 3 . 1 1 79 79 ILE N N 70 119.782 119.782 119.497 0.285 18221
1435 1 3 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.834 -0.038 18221
1436 1 3 . 1 1 79 79 ILE C C 70 178.253 178.253 177.576 0.677 18221
1437 1 3 . 1 1 79 79 ILE CA C 70 64.352 64.352 63.881 0.471 18221
1438 1 3 . 1 1 79 79 ILE CB C 70 37.073 37.073 38.321 -1.248 18221
1439 1 3 . 1 1 79 79 ILE H H 70 7.841 7.841 7.695 0.146 18221
1440 1 3 . 1 1 80 80 LEU N N 71 120.841 120.841 121.699 -0.858 18221
1441 1 3 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.762 0.175 18221
1442 1 3 . 1 1 80 80 LEU C C 71 179.234 179.234 178.395 0.839 18221
1443 1 3 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.349 -0.504 18221
1444 1 3 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.755 -1.736 18221
1445 1 3 . 1 1 80 80 LEU H H 71 8.190 8.190 8.162 0.028 18221
1446 1 3 . 1 1 81 81 GLN N N 72 117.558 117.558 117.606 -0.048 18221
1447 1 3 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.957 0.012 18221
1448 1 3 . 1 1 81 81 GLN C C 72 178.530 178.530 178.566 -0.036 18221
1449 1 3 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.123 -0.304 18221
1450 1 3 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.637 -1.357 18221
1451 1 3 . 1 1 81 81 GLN H H 72 8.489 8.489 8.546 -0.057 18221
1452 1 3 . 1 1 82 82 SER N N 73 116.103 116.103 115.954 0.149 18221
1453 1 3 . 1 1 82 82 SER HA H 73 4.233 4.233 4.117 0.116 18221
1454 1 3 . 1 1 82 82 SER C C 73 177.243 177.243 176.707 0.536 18221
1455 1 3 . 1 1 82 82 SER CA C 73 61.044 61.044 61.855 -0.811 18221
1456 1 3 . 1 1 82 82 SER CB C 73 62.257 62.257 63.094 -0.837 18221
1457 1 3 . 1 1 82 82 SER H H 73 7.855 7.855 8.089 -0.234 18221
1458 1 3 . 1 1 83 83 VAL N N 74 120.362 120.362 120.665 -0.303 18221
1459 1 3 . 1 1 83 83 VAL C C 74 177.979 177.979 177.571 0.408 18221
1460 1 3 . 1 1 83 83 VAL CA C 74 65.106 65.106 65.868 -0.762 18221
1461 1 3 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.430 -0.689 18221
1462 1 3 . 1 1 83 83 VAL H H 74 8.030 8.030 8.182 -0.152 18221
1463 1 3 . 1 1 84 84 GLY N N 75 108.223 108.223 107.456 0.767 18221
1464 1 3 . 1 1 84 84 GLY C C 75 174.913 174.913 175.555 -0.642 18221
1465 1 3 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.084 -0.307 18221
1466 1 3 . 1 1 84 84 GLY H H 75 8.369 8.369 7.799 0.570 18221
1467 1 3 . 1 1 85 85 ALA N N 76 123.550 123.550 124.355 -0.805 18221
1468 1 3 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.090 0.004 18221
1469 1 3 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.798 -0.200 18221
1470 1 3 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.280 -0.657 18221
1471 1 3 . 1 1 85 85 ALA H H 76 8.115 8.115 8.388 -0.273 18221
1472 1 3 . 1 1 86 86 ALA N N 77 120.410 120.410 120.910 -0.500 18221
1473 1 3 . 1 1 86 86 ALA C C 77 178.988 178.988 179.494 -0.506 18221
1474 1 3 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.380 -0.544 18221
1475 1 3 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.956 -0.446 18221
1476 1 3 . 1 1 86 86 ALA H H 77 8.632 8.632 8.365 0.267 18221
1477 1 3 . 1 1 87 87 GLY N N 78 105.706 105.706 106.998 -1.292 18221
1478 1 3 . 1 1 87 87 GLY C C 78 175.939 175.939 175.833 0.106 18221
1479 1 3 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.828 -0.710 18221
1480 1 3 . 1 1 87 87 GLY H H 78 8.196 8.196 7.799 0.397 18221
1481 1 3 . 1 1 88 88 LEU N N 79 124.128 124.128 121.790 2.338 18221
1482 1 3 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.653 -0.251 18221
1483 1 3 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.881 -1.494 18221
1484 1 3 . 1 1 88 88 LEU H H 79 8.449 8.449 7.968 0.481 18221
1485 1 3 . 1 1 89 89 SER N N 80 116.251 116.251 114.838 1.413 18221
1486 1 3 . 1 1 89 89 SER C C 80 179.153 179.153 176.664 2.489 18221
1487 1 3 . 1 1 89 89 SER CA C 80 61.023 61.023 61.714 -0.691 18221
1488 1 3 . 1 1 89 89 SER CB C 80 62.255 62.255 62.578 -0.323 18221
1489 1 3 . 1 1 89 89 SER H H 80 8.120 8.120 8.244 -0.124 18221
1490 1 3 . 1 1 90 90 VAL N N 81 119.310 119.310 121.891 -2.581 18221
1491 1 3 . 1 1 90 90 VAL C C 81 177.652 177.652 177.805 -0.153 18221
1492 1 3 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.772 -0.696 18221
1493 1 3 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.760 -0.430 18221
1494 1 3 . 1 1 90 90 VAL H H 81 7.955 7.955 8.133 -0.178 18221
1495 1 3 . 1 1 91 91 THR N N 82 115.535 115.535 116.258 -0.723 18221
1496 1 3 . 1 1 91 91 THR C C 82 176.571 176.571 176.655 -0.084 18221
1497 1 3 . 1 1 91 91 THR CA C 82 66.434 66.434 67.190 -0.756 18221
1498 1 3 . 1 1 91 91 THR CB C 82 67.742 67.742 68.484 -0.742 18221
1499 1 3 . 1 1 91 91 THR H H 82 7.888 7.888 8.432 -0.544 18221
1500 1 3 . 1 1 92 92 SER N N 83 116.537 116.537 117.710 -1.173 18221
1501 1 3 . 1 1 92 92 SER HA H 83 4.040 4.040 3.973 0.067 18221
1502 1 3 . 1 1 92 92 SER C C 83 176.761 176.761 176.301 0.460 18221
1503 1 3 . 1 1 92 92 SER CA C 83 61.564 61.564 62.181 -0.617 18221
1504 1 3 . 1 1 92 92 SER CB C 83 62.009 62.009 63.062 -1.053 18221
1505 1 3 . 1 1 92 92 SER H H 83 8.212 8.212 8.124 0.088 18221
1506 1 3 . 1 1 93 93 LYS N N 84 122.353 122.353 121.535 0.818 18221
1507 1 3 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.977 0.142 18221
1508 1 3 . 1 1 93 93 LYS C C 84 172.812 172.812 179.027 -6.215 18221
1509 1 3 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.482 -1.047 18221
1510 1 3 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.403 -0.926 18221
1511 1 3 . 1 1 93 93 LYS H H 84 7.642 7.642 8.274 -0.632 18221
1512 1 3 . 1 1 94 94 VAL N N 85 119.348 119.348 118.534 0.814 18221
1513 1 3 . 1 1 94 94 VAL C C 85 177.948 177.948 176.794 1.154 18221
1514 1 3 . 1 1 94 94 VAL CA C 85 65.389 65.389 64.954 0.435 18221
1515 1 3 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.979 -0.133 18221
1516 1 3 . 1 1 94 94 VAL H H 85 8.414 8.414 7.708 0.706 18221
1517 1 3 . 1 1 95 95 ILE N N 86 118.769 118.769 117.471 1.298 18221
1518 1 3 . 1 1 95 95 ILE C C 86 177.972 177.972 176.582 1.390 18221
1519 1 3 . 1 1 95 95 ILE CA C 86 63.837 63.837 62.381 1.456 18221
1520 1 3 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.546 -1.914 18221
1521 1 3 . 1 1 95 95 ILE H H 86 8.169 8.169 7.713 0.456 18221
1522 1 3 . 1 1 96 96 GLY N N 87 107.955 107.955 105.530 2.425 18221
1523 1 3 . 1 1 96 96 GLY C C 87 176.571 176.571 174.067 2.504 18221
1524 1 3 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.682 1.829 18221
1525 1 3 . 1 1 96 96 GLY H H 87 8.182 8.182 8.331 -0.149 18221
1526 1 3 . 1 1 97 97 GLY N N 88 109.117 109.117 110.409 -1.292 18221
1527 1 3 . 1 1 97 97 GLY C C 88 175.524 175.524 173.332 2.192 18221
1528 1 3 . 1 1 97 97 GLY CA C 88 45.832 45.832 46.635 -0.803 18221
1529 1 3 . 1 1 97 97 GLY H H 88 7.953 7.953 7.948 0.005 18221
1530 1 3 . 1 1 98 98 PHE N N 89 121.100 121.100 122.727 -1.627 18221
1531 1 3 . 1 1 98 98 PHE C C 89 176.367 176.367 174.064 2.303 18221
1532 1 3 . 1 1 98 98 PHE CA C 89 56.900 56.900 57.657 -0.757 18221
1533 1 3 . 1 1 98 98 PHE CB C 89 38.832 38.832 39.941 -1.109 18221
1534 1 3 . 1 1 98 98 PHE H H 89 8.000 8.000 8.254 -0.254 18221
1535 1 3 . 1 1 99 99 ALA N N 90 122.834 122.834 127.989 -5.155 18221
1536 1 3 . 1 1 99 99 ALA C C 90 178.348 178.348 177.158 1.190 18221
1537 1 3 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.003 3.274 18221
1538 1 3 . 1 1 99 99 ALA CB C 90 17.414 17.414 20.222 -2.808 18221
1539 1 3 . 1 1 99 99 ALA H H 90 8.322 8.322 8.537 -0.215 18221
1540 1 3 . 1 1 100 100 GLY N N 91 106.688 106.688 108.663 -1.975 18221
1541 1 3 . 1 1 100 100 GLY C C 91 175.878 175.878 175.244 0.634 18221
1542 1 3 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.401 0.225 18221
1543 1 3 . 1 1 100 100 GLY H H 91 8.000 8.000 8.656 -0.656 18221
1544 1 3 . 1 1 101 101 THR N N 92 115.689 115.689 114.978 0.711 18221
1545 1 3 . 1 1 101 101 THR C C 92 178.476 178.476 173.360 5.116 18221
1546 1 3 . 1 1 101 101 THR CA C 92 63.364 63.364 63.208 0.156 18221
1547 1 3 . 1 1 101 101 THR CB C 92 69.619 69.619 68.694 0.925 18221
1548 1 3 . 1 1 101 101 THR H H 92 7.754 7.754 8.017 -0.263 18221
1549 1 3 . 1 1 102 102 ALA N N 93 124.835 124.835 126.346 -1.511 18221
1550 1 3 . 1 1 102 102 ALA CA C 93 54.311 54.311 52.112 2.199 18221
1551 1 3 . 1 1 102 102 ALA CB C 93 17.679 17.679 20.713 -3.034 18221
1552 1 3 . 1 1 102 102 ALA H H 93 7.919 7.919 8.037 -0.118 18221
1553 1 3 . 1 1 103 103 LEU N N 94 117.445 117.445 120.671 -3.226 18221
1554 1 3 . 1 1 103 103 LEU CA C 94 56.782 56.782 55.219 1.563 18221
1555 1 3 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.827 -0.925 18221
1556 1 3 . 1 1 103 103 LEU H H 94 8.037 8.037 8.489 -0.452 18221
1557 1 3 . 1 1 104 104 GLY N N 95 106.296 106.296 108.805 -2.509 18221
1558 1 3 . 1 1 104 104 GLY C C 95 175.851 175.851 173.522 2.329 18221
1559 1 3 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.566 2.004 18221
1560 1 3 . 1 1 104 104 GLY H H 95 7.900 7.900 8.129 -0.229 18221
1561 1 3 . 1 1 105 105 ALA N N 96 123.872 123.872 125.292 -1.420 18221
1562 1 3 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.032 2.094 18221
1563 1 3 . 1 1 105 105 ALA CB C 96 17.587 17.587 19.671 -2.083 18221
1564 1 3 . 1 1 105 105 ALA H H 96 7.804 7.804 7.864 -0.060 18221
1565 1 3 . 1 1 106 106 TRP N N 97 120.348 120.348 121.136 -0.788 18221
1566 1 3 . 1 1 106 106 TRP C C 97 176.857 176.857 175.335 1.522 18221
1567 1 3 . 1 1 106 106 TRP CA C 97 56.900 56.900 55.812 1.088 18221
1568 1 3 . 1 1 106 106 TRP H H 97 8.385 8.385 8.514 -0.129 18221
1569 1 3 . 1 1 107 107 LEU N N 98 117.756 117.756 121.017 -3.261 18221
1570 1 3 . 1 1 107 107 LEU C C 98 177.659 177.659 175.657 2.002 18221
1571 1 3 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.474 -0.371 18221
1572 1 3 . 1 1 107 107 LEU CB C 98 41.418 41.418 42.057 -0.639 18221
1573 1 3 . 1 1 107 107 LEU H H 98 7.880 7.880 7.896 -0.016 18221
1574 1 3 . 1 1 108 108 GLY N N 99 107.285 107.285 109.698 -2.413 18221
1575 1 3 . 1 1 108 108 GLY C C 99 173.815 173.815 174.198 -0.383 18221
1576 1 3 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.673 0.274 18221
1577 1 3 . 1 1 108 108 GLY H H 99 7.694 7.694 8.315 -0.621 18221
1578 1 3 . 1 1 109 109 SER N N 100 117.139 117.139 118.770 -1.631 18221
1579 1 3 . 1 1 109 109 SER C C 100 172.179 172.179 172.902 -0.723 18221
1580 1 3 . 1 1 109 109 SER CA C 100 56.015 56.015 57.618 -1.603 18221
1581 1 3 . 1 1 109 109 SER CB C 100 62.771 62.771 62.288 0.483 18221
1582 1 3 . 1 1 109 109 SER H H 100 8.030 8.030 8.268 -0.238 18221
1583 1 3 . 1 1 111 111 PRO C C 102 177.073 177.073 176.615 0.458 18221
1584 1 3 . 1 1 111 111 PRO CA C 102 62.199 62.199 62.884 -0.685 18221
1585 1 3 . 1 1 111 111 PRO CB C 102 31.211 31.211 31.420 -0.209 18221
1586 1 3 . 1 1 112 112 SER N N 103 117.115 117.115 119.192 -2.077 18221
1587 1 3 . 1 1 112 112 SER C C 103 173.898 173.898 174.419 -0.521 18221
1588 1 3 . 1 1 112 112 SER CA C 103 57.904 57.904 58.722 -0.818 18221
1589 1 3 . 1 1 112 112 SER CB C 103 63.360 63.360 62.959 0.401 18221
1590 1 3 . 1 1 112 112 SER H H 103 8.345 8.345 8.543 -0.198 18221
1591 1 4 . 1 1 11 11 GLY N N 2 109.366 109.366 111.221 -1.855 18221
1592 1 4 . 1 1 11 11 GLY C C 2 174.543 174.543 173.545 0.998 18221
1593 1 4 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.178 0.517 18221
1594 1 4 . 1 1 11 11 GLY H H 2 8.271 8.271 8.904 -0.633 18221
1595 1 4 . 1 1 12 12 LYS N N 3 121.129 121.129 120.075 1.054 18221
1596 1 4 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.266 -0.134 18221
1597 1 4 . 1 1 12 12 LYS C C 3 177.234 177.234 178.247 -1.013 18221
1598 1 4 . 1 1 12 12 LYS CA C 3 56.812 56.812 58.752 -1.940 18221
1599 1 4 . 1 1 12 12 LYS CB C 3 31.846 31.846 32.508 -0.662 18221
1600 1 4 . 1 1 12 12 LYS H H 3 8.057 8.057 8.451 -0.394 18221
1601 1 4 . 1 1 13 13 GLU N N 4 120.318 120.318 117.544 2.774 18221
1602 1 4 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.112 0.043 18221
1603 1 4 . 1 1 13 13 GLU C C 4 176.857 176.857 175.644 1.213 18221
1604 1 4 . 1 1 13 13 GLU CA C 4 56.871 56.871 57.968 -1.097 18221
1605 1 4 . 1 1 13 13 GLU CB C 4 28.388 28.388 29.805 -1.417 18221
1606 1 4 . 1 1 13 13 GLU H H 4 8.398 8.398 8.440 -0.042 18221
1607 1 4 . 1 1 14 14 SER N N 5 115.504 115.504 112.078 3.426 18221
1608 1 4 . 1 1 14 14 SER HA H 5 3.843 3.843 4.268 -0.425 18221
1609 1 4 . 1 1 14 14 SER C C 5 175.337 175.337 174.288 1.049 18221
1610 1 4 . 1 1 14 14 SER CA C 5 58.524 58.524 58.577 -0.053 18221
1611 1 4 . 1 1 14 14 SER CB C 5 63.360 63.360 62.523 0.838 18221
1612 1 4 . 1 1 14 14 SER H H 5 8.089 8.089 8.326 -0.237 18221
1613 1 4 . 1 1 15 15 GLY N N 6 110.761 110.761 110.583 0.178 18221
1614 1 4 . 1 1 15 15 GLY C C 6 174.581 174.581 173.056 1.525 18221
1615 1 4 . 1 1 15 15 GLY CA C 6 45.566 45.566 44.956 0.610 18221
1616 1 4 . 1 1 15 15 GLY H H 6 8.197 8.197 8.101 0.096 18221
1617 1 4 . 1 1 16 16 TRP N N 7 121.800 121.800 121.307 0.493 18221
1618 1 4 . 1 1 16 16 TRP HA H 7 4.560 4.560 5.081 -0.521 18221
1619 1 4 . 1 1 16 16 TRP C C 7 176.920 176.920 174.162 2.758 18221
1620 1 4 . 1 1 16 16 TRP CA C 7 58.081 58.081 57.173 0.908 18221
1621 1 4 . 1 1 16 16 TRP CB C 7 28.679 28.679 30.931 -2.252 18221
1622 1 4 . 1 1 16 16 TRP H H 7 8.184 8.184 8.543 -0.359 18221
1623 1 4 . 1 1 17 17 ASP N N 8 121.132 121.132 124.853 -3.721 18221
1624 1 4 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.834 -0.439 18221
1625 1 4 . 1 1 17 17 ASP C C 8 176.941 176.941 174.983 1.958 18221
1626 1 4 . 1 1 17 17 ASP CA C 8 56.244 56.244 54.395 1.849 18221
1627 1 4 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.420 -1.475 18221
1628 1 4 . 1 1 17 17 ASP H H 8 8.332 8.332 8.234 0.098 18221
1629 1 4 . 1 1 18 18 SER N N 9 116.148 116.148 116.175 -0.027 18221
1630 1 4 . 1 1 18 18 SER HA H 9 3.861 3.861 4.554 -0.693 18221
1631 1 4 . 1 1 18 18 SER CA C 9 60.081 60.081 57.996 2.085 18221
1632 1 4 . 1 1 18 18 SER CB C 9 62.255 62.255 64.048 -1.793 18221
1633 1 4 . 1 1 18 18 SER H H 9 8.129 8.129 7.957 0.172 18221
1634 1 4 . 1 1 19 19 GLY N N 10 110.747 110.747 109.417 1.330 18221
1635 1 4 . 1 1 19 19 GLY C C 10 174.682 174.682 174.956 -0.274 18221
1636 1 4 . 1 1 19 19 GLY CA C 10 46.600 46.600 44.882 1.718 18221
1637 1 4 . 1 1 19 19 GLY H H 10 8.216 8.216 7.911 0.305 18221
1638 1 4 . 1 1 20 20 ARG N N 11 121.405 121.405 120.177 1.228 18221
1639 1 4 . 1 1 20 20 ARG HA H 11 3.857 3.857 3.938 -0.081 18221
1640 1 4 . 1 1 20 20 ARG C C 11 178.328 178.328 177.997 0.331 18221
1641 1 4 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.653 0.432 18221
1642 1 4 . 1 1 20 20 ARG CB C 11 29.047 29.047 29.500 -0.453 18221
1643 1 4 . 1 1 20 20 ARG H H 11 8.158 8.158 8.697 -0.539 18221
1644 1 4 . 1 1 21 21 ALA N N 12 122.167 122.167 121.798 0.369 18221
1645 1 4 . 1 1 21 21 ALA HA H 12 4.100 4.100 3.978 0.122 18221
1646 1 4 . 1 1 21 21 ALA C C 12 180.129 180.129 179.418 0.711 18221
1647 1 4 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.379 0.013 18221
1648 1 4 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.798 -0.384 18221
1649 1 4 . 1 1 21 21 ALA H H 12 7.963 7.963 8.264 -0.301 18221
1650 1 4 . 1 1 22 22 ALA N N 13 122.150 122.150 121.571 0.579 18221
1651 1 4 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.862 0.175 18221
1652 1 4 . 1 1 22 22 ALA C C 13 179.095 179.095 179.665 -0.570 18221
1653 1 4 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.943 -0.227 18221
1654 1 4 . 1 1 22 22 ALA CB C 13 17.561 17.561 17.806 -0.245 18221
1655 1 4 . 1 1 22 22 ALA H H 13 7.881 7.881 7.993 -0.112 18221
1656 1 4 . 1 1 23 23 VAL N N 14 117.107 117.107 118.752 -1.645 18221
1657 1 4 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.489 -0.009 18221
1658 1 4 . 1 1 23 23 VAL C C 14 177.586 177.586 177.942 -0.356 18221
1659 1 4 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.989 0.209 18221
1660 1 4 . 1 1 23 23 VAL CB C 14 30.520 30.520 31.406 -0.886 18221
1661 1 4 . 1 1 23 23 VAL H H 14 7.888 7.888 8.035 -0.147 18221
1662 1 4 . 1 1 24 24 ALA N N 15 121.333 121.333 121.622 -0.289 18221
1663 1 4 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.960 0.021 18221
1664 1 4 . 1 1 24 24 ALA C C 15 180.373 180.373 179.326 1.047 18221
1665 1 4 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.041 -0.030 18221
1666 1 4 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.877 -0.625 18221
1667 1 4 . 1 1 24 24 ALA H H 15 8.037 8.037 7.773 0.264 18221
1668 1 4 . 1 1 25 25 ALA N N 16 121.158 121.158 118.953 2.205 18221
1669 1 4 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.077 0.069 18221
1670 1 4 . 1 1 25 25 ALA C C 16 179.828 179.828 178.625 1.203 18221
1671 1 4 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.561 -0.110 18221
1672 1 4 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.602 -1.115 18221
1673 1 4 . 1 1 25 25 ALA H H 16 7.819 7.819 7.838 -0.019 18221
1674 1 4 . 1 1 26 26 VAL N N 17 118.417 118.417 117.433 0.984 18221
1675 1 4 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.801 -0.023 18221
1676 1 4 . 1 1 26 26 VAL C C 17 178.020 178.020 177.320 0.700 18221
1677 1 4 . 1 1 26 26 VAL CA C 17 65.578 65.578 65.150 0.428 18221
1678 1 4 . 1 1 26 26 VAL CB C 17 31.085 31.085 32.006 -0.921 18221
1679 1 4 . 1 1 26 26 VAL H H 17 7.848 7.848 7.527 0.321 18221
1680 1 4 . 1 1 27 27 VAL N N 18 119.240 119.240 120.182 -0.942 18221
1681 1 4 . 1 1 27 27 VAL C C 18 177.719 177.719 176.141 1.578 18221
1682 1 4 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.326 1.665 18221
1683 1 4 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.014 -1.827 18221
1684 1 4 . 1 1 27 27 VAL H H 18 8.377 8.377 7.610 0.767 18221
1685 1 4 . 1 1 28 28 GLY N N 19 106.009 106.009 106.275 -0.266 18221
1686 1 4 . 1 1 28 28 GLY C C 19 176.212 176.212 173.711 2.501 18221
1687 1 4 . 1 1 28 28 GLY CA C 19 46.244 46.244 44.656 1.588 18221
1688 1 4 . 1 1 28 28 GLY H H 19 8.122 8.122 7.107 1.015 18221
1689 1 4 . 1 1 29 29 GLY N N 20 110.216 110.216 112.565 -2.349 18221
1690 1 4 . 1 1 29 29 GLY C C 20 174.097 174.097 175.383 -1.286 18221
1691 1 4 . 1 1 29 29 GLY CA C 20 46.334 46.334 45.377 0.957 18221
1692 1 4 . 1 1 29 29 GLY H H 20 8.039 8.039 8.019 0.020 18221
1693 1 4 . 1 1 30 30 VAL N N 21 121.188 121.188 122.587 -1.399 18221
1694 1 4 . 1 1 30 30 VAL C C 21 177.073 177.073 177.087 -0.014 18221
1695 1 4 . 1 1 30 30 VAL CA C 21 62.574 62.574 66.580 -4.006 18221
1696 1 4 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.896 -1.106 18221
1697 1 4 . 1 1 30 30 VAL H H 21 7.983 7.983 7.969 0.014 18221
1698 1 4 . 1 1 32 32 ALA N N 23 125.091 125.091 122.224 2.867 18221
1699 1 4 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.092 0.168 18221
1700 1 4 . 1 1 32 32 ALA C C 23 179.523 179.523 180.253 -0.730 18221
1701 1 4 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.077 -1.394 18221
1702 1 4 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.020 -1.637 18221
1703 1 4 . 1 1 32 32 ALA H H 23 8.036 8.036 8.226 -0.190 18221
1704 1 4 . 1 1 33 33 VAL N N 24 118.793 118.793 117.401 1.392 18221
1705 1 4 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.697 0.011 18221
1706 1 4 . 1 1 33 33 VAL C C 24 177.901 177.901 178.250 -0.349 18221
1707 1 4 . 1 1 33 33 VAL CA C 24 65.430 65.430 66.414 -0.984 18221
1708 1 4 . 1 1 33 33 VAL CB C 24 31.318 31.318 30.988 0.331 18221
1709 1 4 . 1 1 33 33 VAL H H 24 8.195 8.195 8.195 -0.000 18221
1710 1 4 . 1 1 34 34 GLY N N 25 108.367 108.367 109.052 -0.685 18221
1711 1 4 . 1 1 34 34 GLY C C 25 175.424 175.424 176.134 -0.710 18221
1712 1 4 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.550 -0.216 18221
1713 1 4 . 1 1 34 34 GLY H H 25 8.651 8.651 8.433 0.218 18221
1714 1 4 . 1 1 35 35 THR N N 26 116.448 116.448 119.455 -3.007 18221
1715 1 4 . 1 1 35 35 THR C C 26 176.843 176.843 176.889 -0.046 18221
1716 1 4 . 1 1 35 35 THR CA C 26 65.962 65.962 66.895 -0.933 18221
1717 1 4 . 1 1 35 35 THR CB C 26 68.414 68.414 68.743 -0.329 18221
1718 1 4 . 1 1 35 35 THR H H 26 7.975 7.975 8.027 -0.052 18221
1719 1 4 . 1 1 36 36 VAL N N 27 122.810 122.810 121.941 0.869 18221
1720 1 4 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.679 0.040 18221
1721 1 4 . 1 1 36 36 VAL C C 27 177.618 177.618 177.887 -0.269 18221
1722 1 4 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.565 -0.839 18221
1723 1 4 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.212 -0.545 18221
1724 1 4 . 1 1 36 36 VAL H H 27 7.559 7.559 8.136 -0.577 18221
1725 1 4 . 1 1 37 37 LEU N N 28 119.566 119.566 119.852 -0.286 18221
1726 1 4 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.960 -0.007 18221
1727 1 4 . 1 1 37 37 LEU C C 28 179.666 179.666 179.374 0.292 18221
1728 1 4 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.201 -0.356 18221
1729 1 4 . 1 1 37 37 LEU CB C 28 40.166 40.166 40.933 -0.767 18221
1730 1 4 . 1 1 37 37 LEU H H 28 8.086 8.086 7.842 0.244 18221
1731 1 4 . 1 1 38 38 VAL N N 29 119.468 119.468 118.571 0.897 18221
1732 1 4 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.524 0.129 18221
1733 1 4 . 1 1 38 38 VAL C C 29 178.639 178.639 177.638 1.001 18221
1734 1 4 . 1 1 38 38 VAL CA C 29 65.473 65.473 67.030 -1.557 18221
1735 1 4 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.334 -0.725 18221
1736 1 4 . 1 1 38 38 VAL H H 29 8.066 8.066 8.289 -0.223 18221
1737 1 4 . 1 1 39 39 ALA N N 30 124.255 124.255 123.422 0.833 18221
1738 1 4 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.115 0.050 18221
1739 1 4 . 1 1 39 39 ALA C C 30 180.303 180.303 178.701 1.602 18221
1740 1 4 . 1 1 39 39 ALA CA C 30 54.834 54.834 54.870 -0.036 18221
1741 1 4 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.370 -0.662 18221
1742 1 4 . 1 1 39 39 ALA H H 30 7.688 7.688 7.725 -0.037 18221
1743 1 4 . 1 1 40 40 LEU N N 31 118.268 118.268 118.398 -0.130 18221
1744 1 4 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.110 0.031 18221
1745 1 4 . 1 1 40 40 LEU C C 31 179.271 179.271 179.364 -0.093 18221
1746 1 4 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.364 -0.286 18221
1747 1 4 . 1 1 40 40 LEU CB C 31 40.902 40.902 41.609 -0.707 18221
1748 1 4 . 1 1 40 40 LEU H H 31 8.326 8.326 8.117 0.209 18221
1749 1 4 . 1 1 41 41 SER N N 32 114.984 114.984 115.594 -0.610 18221
1750 1 4 . 1 1 41 41 SER HA H 32 3.952 3.952 4.188 -0.236 18221
1751 1 4 . 1 1 41 41 SER C C 32 176.284 176.284 174.902 1.382 18221
1752 1 4 . 1 1 41 41 SER CA C 32 60.885 60.885 61.519 -0.634 18221
1753 1 4 . 1 1 41 41 SER CB C 32 62.410 62.410 63.330 -0.920 18221
1754 1 4 . 1 1 41 41 SER H H 32 8.062 8.062 8.557 -0.495 18221
1755 1 4 . 1 1 42 42 ALA N N 33 124.588 124.588 121.195 3.393 18221
1756 1 4 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.522 -0.297 18221
1757 1 4 . 1 1 42 42 ALA C C 33 179.033 179.033 176.883 2.150 18221
1758 1 4 . 1 1 42 42 ALA CA C 33 53.713 53.713 51.458 2.255 18221
1759 1 4 . 1 1 42 42 ALA CB C 33 17.929 17.929 17.551 0.378 18221
1760 1 4 . 1 1 42 42 ALA H H 33 7.813 7.813 7.975 -0.162 18221
1761 1 4 . 1 1 43 43 MET N N 34 116.808 116.808 119.694 -2.886 18221
1762 1 4 . 1 1 43 43 MET HA H 34 4.285 4.285 4.523 -0.238 18221
1763 1 4 . 1 1 43 43 MET C C 34 176.807 176.807 176.014 0.793 18221
1764 1 4 . 1 1 43 43 MET CA C 34 56.576 56.576 55.273 1.303 18221
1765 1 4 . 1 1 43 43 MET CB C 34 32.435 32.435 32.962 -0.527 18221
1766 1 4 . 1 1 43 43 MET H H 34 7.691 7.691 7.596 0.095 18221
1767 1 4 . 1 1 44 44 GLY N N 35 107.020 107.020 106.905 0.115 18221
1768 1 4 . 1 1 44 44 GLY C C 35 174.493 174.493 173.855 0.638 18221
1769 1 4 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.105 -0.040 18221
1770 1 4 . 1 1 44 44 GLY H H 35 7.793 7.793 8.240 -0.447 18221
1771 1 4 . 1 1 45 45 PHE N N 36 120.285 120.285 117.796 2.489 18221
1772 1 4 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.680 -0.173 18221
1773 1 4 . 1 1 45 45 PHE C C 36 176.876 176.876 175.206 1.670 18221
1774 1 4 . 1 1 45 45 PHE CA C 36 58.937 58.937 58.615 0.322 18221
1775 1 4 . 1 1 45 45 PHE CB C 36 38.178 38.178 40.315 -2.137 18221
1776 1 4 . 1 1 45 45 PHE H H 36 8.215 8.215 8.056 0.159 18221
1777 1 4 . 1 1 46 46 THR N N 37 114.008 114.008 115.720 -1.712 18221
1778 1 4 . 1 1 46 46 THR HA H 37 4.080 4.080 3.976 0.104 18221
1779 1 4 . 1 1 46 46 THR C C 37 175.751 175.751 174.048 1.703 18221
1780 1 4 . 1 1 46 46 THR CA C 37 64.220 64.220 63.166 1.054 18221
1781 1 4 . 1 1 46 46 THR CB C 37 68.514 68.514 69.039 -0.525 18221
1782 1 4 . 1 1 46 46 THR H H 37 8.111 8.111 7.883 0.228 18221
1783 1 4 . 1 1 47 47 SER N N 38 116.646 116.646 117.256 -0.610 18221
1784 1 4 . 1 1 47 47 SER HA H 38 3.918 3.918 4.456 -0.538 18221
1785 1 4 . 1 1 47 47 SER C C 38 176.744 176.744 174.136 2.608 18221
1786 1 4 . 1 1 47 47 SER CA C 38 59.911 59.911 59.743 0.168 18221
1787 1 4 . 1 1 47 47 SER CB C 38 62.624 62.624 63.865 -1.242 18221
1788 1 4 . 1 1 47 47 SER H H 38 8.079 8.079 8.359 -0.280 18221
1789 1 4 . 1 1 48 48 VAL N N 39 121.929 121.929 119.484 2.445 18221
1790 1 4 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.792 0.117 18221
1791 1 4 . 1 1 48 48 VAL C C 39 177.033 177.033 177.142 -0.109 18221
1792 1 4 . 1 1 48 48 VAL CA C 39 64.988 64.988 63.647 1.341 18221
1793 1 4 . 1 1 48 48 VAL CB C 39 30.667 30.667 32.295 -1.628 18221
1794 1 4 . 1 1 48 48 VAL H H 39 7.985 7.985 8.034 -0.049 18221
1795 1 4 . 1 1 49 49 GLY N N 40 108.633 108.633 111.014 -2.381 18221
1796 1 4 . 1 1 49 49 GLY C C 40 176.038 176.038 176.215 -0.177 18221
1797 1 4 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.704 -0.839 18221
1798 1 4 . 1 1 49 49 GLY H H 40 8.267 8.267 8.674 -0.407 18221
1799 1 4 . 1 1 50 50 ILE N N 41 122.466 122.466 122.940 -0.474 18221
1800 1 4 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.632 0.239 18221
1801 1 4 . 1 1 50 50 ILE C C 41 178.363 178.363 178.078 0.285 18221
1802 1 4 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.314 -0.799 18221
1803 1 4 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.641 -0.403 18221
1804 1 4 . 1 1 50 50 ILE H H 41 7.865 7.865 7.945 -0.080 18221
1805 1 4 . 1 1 51 51 ALA N N 42 125.064 125.064 120.888 4.176 18221
1806 1 4 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.946 0.153 18221
1807 1 4 . 1 1 51 51 ALA C C 42 179.385 179.385 179.428 -0.043 18221
1808 1 4 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.055 -0.575 18221
1809 1 4 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.897 -0.410 18221
1810 1 4 . 1 1 51 51 ALA H H 42 7.930 7.930 7.905 0.025 18221
1811 1 4 . 1 1 52 52 ALA N N 43 120.594 120.594 120.180 0.414 18221
1812 1 4 . 1 1 52 52 ALA HA H 43 3.937 3.937 3.949 -0.012 18221
1813 1 4 . 1 1 52 52 ALA C C 43 179.088 179.088 179.416 -0.328 18221
1814 1 4 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.680 0.420 18221
1815 1 4 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.104 -0.469 18221
1816 1 4 . 1 1 52 52 ALA H H 43 8.639 8.639 8.044 0.595 18221
1817 1 4 . 1 1 53 53 SER N N 44 113.012 113.012 114.877 -1.865 18221
1818 1 4 . 1 1 53 53 SER HA H 44 3.966 3.966 4.216 -0.250 18221
1819 1 4 . 1 1 53 53 SER C C 44 176.898 176.898 176.734 0.164 18221
1820 1 4 . 1 1 53 53 SER CA C 44 61.139 61.139 61.905 -0.766 18221
1821 1 4 . 1 1 53 53 SER CB C 44 62.347 62.347 63.173 -0.826 18221
1822 1 4 . 1 1 53 53 SER H H 44 8.193 8.193 8.316 -0.123 18221
1823 1 4 . 1 1 54 54 SER N N 45 118.714 118.714 118.369 0.345 18221
1824 1 4 . 1 1 54 54 SER HA H 45 3.975 3.975 4.123 -0.148 18221
1825 1 4 . 1 1 54 54 SER C C 45 177.131 177.131 176.625 0.506 18221
1826 1 4 . 1 1 54 54 SER CA C 45 61.210 61.210 62.409 -1.199 18221
1827 1 4 . 1 1 54 54 SER CB C 45 62.255 62.255 62.964 -0.709 18221
1828 1 4 . 1 1 54 54 SER H H 45 7.944 7.944 8.144 -0.200 18221
1829 1 4 . 1 1 55 55 ILE N N 46 122.912 122.912 121.014 1.898 18221
1830 1 4 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.803 -0.046 18221
1831 1 4 . 1 1 55 55 ILE C C 46 177.813 177.813 177.392 0.421 18221
1832 1 4 . 1 1 55 55 ILE CA C 46 64.191 64.191 62.742 1.449 18221
1833 1 4 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.330 -0.404 18221
1834 1 4 . 1 1 55 55 ILE H H 46 8.028 8.028 7.979 0.049 18221
1835 1 4 . 1 1 56 56 ALA N N 47 122.990 122.990 121.114 1.876 18221
1836 1 4 . 1 1 56 56 ALA HA H 47 3.956 3.956 3.965 -0.009 18221
1837 1 4 . 1 1 56 56 ALA C C 47 180.294 180.294 179.926 0.368 18221
1838 1 4 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.763 -0.425 18221
1839 1 4 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.649 -0.948 18221
1840 1 4 . 1 1 56 56 ALA H H 47 8.333 8.333 7.694 0.639 18221
1841 1 4 . 1 1 57 57 ALA N N 48 121.988 121.988 120.516 1.472 18221
1842 1 4 . 1 1 57 57 ALA HA H 48 4.068 4.068 3.968 0.100 18221
1843 1 4 . 1 1 57 57 ALA CA C 48 54.421 54.421 54.428 -0.007 18221
1844 1 4 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.193 -1.491 18221
1845 1 4 . 1 1 57 57 ALA H H 48 7.879 7.879 8.214 -0.335 18221
1846 1 4 . 1 1 58 58 LYS N N 49 119.094 119.094 113.702 5.392 18221
1847 1 4 . 1 1 58 58 LYS HA H 49 4.146 4.146 4.406 -0.260 18221
1848 1 4 . 1 1 58 58 LYS C C 49 179.649 179.649 174.626 5.023 18221
1849 1 4 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.402 0.755 18221
1850 1 4 . 1 1 58 58 LYS CB C 49 31.330 31.330 34.446 -3.116 18221
1851 1 4 . 1 1 58 58 LYS H H 49 7.727 7.727 7.679 0.048 18221
1852 1 4 . 1 1 59 59 MET N N 50 120.498 120.498 119.019 1.479 18221
1853 1 4 . 1 1 59 59 MET HA H 50 4.156 4.156 4.631 -0.475 18221
1854 1 4 . 1 1 59 59 MET C C 50 177.949 177.949 174.199 3.750 18221
1855 1 4 . 1 1 59 59 MET CA C 50 57.136 57.136 56.078 1.058 18221
1856 1 4 . 1 1 59 59 MET CB C 50 31.922 31.922 32.660 -0.738 18221
1857 1 4 . 1 1 59 59 MET H H 50 8.395 8.395 8.401 -0.006 18221
1858 1 4 . 1 1 60 60 MET N N 51 117.689 117.689 121.760 -4.071 18221
1859 1 4 . 1 1 60 60 MET HA H 51 4.222 4.222 4.809 -0.587 18221
1860 1 4 . 1 1 60 60 MET C C 51 177.674 177.674 174.184 3.490 18221
1861 1 4 . 1 1 60 60 MET CA C 51 57.638 57.638 55.385 2.253 18221
1862 1 4 . 1 1 60 60 MET CB C 51 31.785 31.785 34.523 -2.738 18221
1863 1 4 . 1 1 60 60 MET H H 51 8.234 8.234 8.050 0.184 18221
1864 1 4 . 1 1 61 61 SER N N 52 114.385 114.385 116.050 -1.665 18221
1865 1 4 . 1 1 61 61 SER HA H 52 4.001 4.001 4.681 -0.680 18221
1866 1 4 . 1 1 61 61 SER C C 52 176.079 176.079 174.645 1.434 18221
1867 1 4 . 1 1 61 61 SER CA C 52 59.911 59.911 57.845 2.066 18221
1868 1 4 . 1 1 61 61 SER CB C 52 62.624 62.624 63.905 -1.281 18221
1869 1 4 . 1 1 61 61 SER H H 52 7.893 7.893 8.535 -0.642 18221
1870 1 4 . 1 1 62 62 THR N N 53 117.304 117.304 116.112 1.192 18221
1871 1 4 . 1 1 62 62 THR HA H 53 4.104 4.104 4.068 0.036 18221
1872 1 4 . 1 1 62 62 THR C C 53 175.436 175.436 174.462 0.974 18221
1873 1 4 . 1 1 62 62 THR CA C 53 64.220 64.220 63.578 0.642 18221
1874 1 4 . 1 1 62 62 THR CB C 53 68.514 68.514 68.950 -0.436 18221
1875 1 4 . 1 1 62 62 THR H H 53 7.794 7.794 8.428 -0.634 18221
1876 1 4 . 1 1 63 63 ALA N N 54 125.382 125.382 122.288 3.094 18221
1877 1 4 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.101 -0.007 18221
1878 1 4 . 1 1 63 63 ALA C C 54 178.328 178.328 176.155 2.173 18221
1879 1 4 . 1 1 63 63 ALA CA C 54 54.096 54.096 53.073 1.023 18221
1880 1 4 . 1 1 63 63 ALA CB C 54 17.708 17.708 18.777 -1.069 18221
1881 1 4 . 1 1 63 63 ALA H H 54 8.204 8.204 7.693 0.511 18221
1882 1 4 . 1 1 64 64 ALA N N 55 119.929 119.929 121.018 -1.089 18221
1883 1 4 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.003 0.122 18221
1884 1 4 . 1 1 64 64 ALA C C 55 179.183 179.183 176.806 2.377 18221
1885 1 4 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.775 1.262 18221
1886 1 4 . 1 1 64 64 ALA CB C 55 17.708 17.708 18.236 -0.528 18221
1887 1 4 . 1 1 64 64 ALA H H 55 7.951 7.951 8.466 -0.515 18221
1888 1 4 . 1 1 65 65 ILE N N 56 117.016 117.016 120.047 -3.031 18221
1889 1 4 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.097 -0.147 18221
1890 1 4 . 1 1 65 65 ILE C C 56 177.222 177.222 176.058 1.164 18221
1891 1 4 . 1 1 65 65 ILE CA C 56 62.184 62.184 60.995 1.189 18221
1892 1 4 . 1 1 65 65 ILE CB C 56 37.073 37.073 35.389 1.684 18221
1893 1 4 . 1 1 65 65 ILE H H 56 7.561 7.561 8.099 -0.538 18221
1894 1 4 . 1 1 66 66 ALA N N 57 124.191 124.191 128.141 -3.950 18221
1895 1 4 . 1 1 66 66 ALA HA H 57 4.177 4.177 3.907 0.270 18221
1896 1 4 . 1 1 66 66 ALA C C 57 178.190 178.190 176.983 1.207 18221
1897 1 4 . 1 1 66 66 ALA CA C 57 53.536 53.536 53.936 -0.400 18221
1898 1 4 . 1 1 66 66 ALA CB C 57 17.929 17.929 17.677 0.252 18221
1899 1 4 . 1 1 66 66 ALA H H 57 7.982 7.982 8.014 -0.032 18221
1900 1 4 . 1 1 67 67 ASN N N 58 116.132 116.132 120.826 -4.694 18221
1901 1 4 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.843 -0.170 18221
1902 1 4 . 1 1 67 67 ASN C C 58 176.344 176.344 175.583 0.761 18221
1903 1 4 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.045 0.432 18221
1904 1 4 . 1 1 67 67 ASN CB C 58 38.472 38.472 40.110 -1.638 18221
1905 1 4 . 1 1 67 67 ASN H H 58 8.113 8.113 8.282 -0.169 18221
1906 1 4 . 1 1 68 68 GLY N N 59 108.808 108.808 112.745 -3.937 18221
1907 1 4 . 1 1 68 68 GLY C C 59 174.958 174.958 174.949 0.009 18221
1908 1 4 . 1 1 68 68 GLY CA C 59 45.655 45.655 44.816 0.839 18221
1909 1 4 . 1 1 68 68 GLY H H 59 8.152 8.152 8.584 -0.432 18221
1910 1 4 . 1 1 69 69 GLY N N 60 108.832 108.832 110.568 -1.736 18221
1911 1 4 . 1 1 69 69 GLY C C 60 174.631 174.631 175.238 -0.607 18221
1912 1 4 . 1 1 69 69 GLY CA C 60 45.419 45.419 45.113 0.306 18221
1913 1 4 . 1 1 69 69 GLY H H 60 8.218 8.218 7.947 0.271 18221
1914 1 4 . 1 1 70 70 GLY N N 61 108.966 108.966 108.830 0.136 18221
1915 1 4 . 1 1 70 70 GLY C C 61 174.594 174.594 174.454 0.140 18221
1916 1 4 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.644 0.716 18221
1917 1 4 . 1 1 70 70 GLY H H 61 8.175 8.175 7.890 0.285 18221
1918 1 4 . 1 1 71 71 VAL N N 62 120.209 120.209 119.444 0.765 18221
1919 1 4 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.897 0.109 18221
1920 1 4 . 1 1 71 71 VAL C C 62 176.077 176.077 177.402 -1.325 18221
1921 1 4 . 1 1 71 71 VAL CA C 62 62.390 62.390 63.900 -1.510 18221
1922 1 4 . 1 1 71 71 VAL CB C 62 31.698 31.698 31.491 0.207 18221
1923 1 4 . 1 1 71 71 VAL H H 62 7.882 7.882 8.273 -0.391 18221
1924 1 4 . 1 1 72 72 ALA N N 63 126.966 126.966 121.660 5.306 18221
1925 1 4 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.176 -0.150 18221
1926 1 4 . 1 1 72 72 ALA C C 63 178.064 178.064 177.301 0.763 18221
1927 1 4 . 1 1 72 72 ALA CA C 63 52.503 52.503 53.649 -1.146 18221
1928 1 4 . 1 1 72 72 ALA CB C 63 18.225 18.225 18.484 -0.259 18221
1929 1 4 . 1 1 72 72 ALA H H 63 8.237 8.237 7.859 0.378 18221
1930 1 4 . 1 1 73 73 ALA N N 64 123.432 123.432 121.451 1.981 18221
1931 1 4 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.125 -0.110 18221
1932 1 4 . 1 1 73 73 ALA C C 64 178.995 178.995 177.576 1.419 18221
1933 1 4 . 1 1 73 73 ALA CA C 64 54.421 54.421 53.608 0.814 18221
1934 1 4 . 1 1 73 73 ALA CB C 64 18.003 18.003 18.326 -0.323 18221
1935 1 4 . 1 1 73 73 ALA H H 64 8.421 8.421 7.815 0.606 18221
1936 1 4 . 1 1 74 74 GLY N N 65 105.577 105.577 111.951 -6.374 18221
1937 1 4 . 1 1 74 74 GLY C C 65 176.367 176.367 175.067 1.300 18221
1938 1 4 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.755 1.489 18221
1939 1 4 . 1 1 74 74 GLY H H 65 8.448 8.448 7.715 0.733 18221
1940 1 4 . 1 1 75 75 SER N N 66 117.656 117.656 116.918 0.738 18221
1941 1 4 . 1 1 75 75 SER HA H 66 4.394 4.394 4.243 0.151 18221
1942 1 4 . 1 1 75 75 SER C C 66 176.329 176.329 176.891 -0.562 18221
1943 1 4 . 1 1 75 75 SER CA C 66 60.236 60.236 61.117 -0.881 18221
1944 1 4 . 1 1 75 75 SER CB C 66 62.476 62.476 62.955 -0.479 18221
1945 1 4 . 1 1 75 75 SER H H 66 7.899 7.899 8.534 -0.635 18221
1946 1 4 . 1 1 76 76 LEU N N 67 122.743 122.743 123.070 -0.327 18221
1947 1 4 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.894 0.156 18221
1948 1 4 . 1 1 76 76 LEU C C 67 178.442 178.442 178.302 0.140 18221
1949 1 4 . 1 1 76 76 LEU CA C 67 57.520 57.520 58.084 -0.564 18221
1950 1 4 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.970 -1.289 18221
1951 1 4 . 1 1 76 76 LEU H H 67 7.955 7.955 8.311 -0.356 18221
1952 1 4 . 1 1 77 77 VAL N N 68 118.400 118.400 118.796 -0.396 18221
1953 1 4 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.452 0.019 18221
1954 1 4 . 1 1 77 77 VAL C C 68 177.297 177.297 177.540 -0.243 18221
1955 1 4 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.939 -0.269 18221
1956 1 4 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.400 -0.880 18221
1957 1 4 . 1 1 77 77 VAL H H 68 8.039 8.039 8.318 -0.279 18221
1958 1 4 . 1 1 78 78 ALA N N 69 121.927 121.927 121.554 0.373 18221
1959 1 4 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.265 -0.060 18221
1960 1 4 . 1 1 78 78 ALA C C 69 181.258 181.258 179.659 1.599 18221
1961 1 4 . 1 1 78 78 ALA CA C 69 54.982 54.982 54.780 0.202 18221
1962 1 4 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.205 -0.791 18221
1963 1 4 . 1 1 78 78 ALA H H 69 7.631 7.631 7.830 -0.199 18221
1964 1 4 . 1 1 79 79 ILE N N 70 119.782 119.782 119.532 0.250 18221
1965 1 4 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.595 0.201 18221
1966 1 4 . 1 1 79 79 ILE C C 70 178.253 178.253 178.082 0.171 18221
1967 1 4 . 1 1 79 79 ILE CA C 70 64.352 64.352 65.492 -1.139 18221
1968 1 4 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.924 -0.851 18221
1969 1 4 . 1 1 79 79 ILE H H 70 7.841 7.841 7.321 0.520 18221
1970 1 4 . 1 1 80 80 LEU N N 71 120.841 120.841 119.648 1.193 18221
1971 1 4 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.784 0.153 18221
1972 1 4 . 1 1 80 80 LEU C C 71 179.234 179.234 178.865 0.369 18221
1973 1 4 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.572 -0.727 18221
1974 1 4 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.692 -1.673 18221
1975 1 4 . 1 1 80 80 LEU H H 71 8.190 8.190 8.303 -0.113 18221
1976 1 4 . 1 1 81 81 GLN N N 72 117.558 117.558 117.695 -0.137 18221
1977 1 4 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.913 0.056 18221
1978 1 4 . 1 1 81 81 GLN C C 72 178.530 178.530 178.891 -0.361 18221
1979 1 4 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.257 -0.438 18221
1980 1 4 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.629 -1.349 18221
1981 1 4 . 1 1 81 81 GLN H H 72 8.489 8.489 8.068 0.421 18221
1982 1 4 . 1 1 82 82 SER N N 73 116.103 116.103 115.051 1.052 18221
1983 1 4 . 1 1 82 82 SER HA H 73 4.233 4.233 4.210 0.023 18221
1984 1 4 . 1 1 82 82 SER C C 73 177.243 177.243 176.901 0.342 18221
1985 1 4 . 1 1 82 82 SER CA C 73 61.044 61.044 61.932 -0.888 18221
1986 1 4 . 1 1 82 82 SER CB C 73 62.257 62.257 63.043 -0.786 18221
1987 1 4 . 1 1 82 82 SER H H 73 7.855 7.855 8.012 -0.157 18221
1988 1 4 . 1 1 83 83 VAL N N 74 120.362 120.362 120.978 -0.616 18221
1989 1 4 . 1 1 83 83 VAL C C 74 177.979 177.979 178.260 -0.281 18221
1990 1 4 . 1 1 83 83 VAL CA C 74 65.106 65.106 65.888 -0.782 18221
1991 1 4 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.107 -0.366 18221
1992 1 4 . 1 1 83 83 VAL H H 74 8.030 8.030 8.303 -0.273 18221
1993 1 4 . 1 1 84 84 GLY N N 75 108.223 108.223 106.030 2.193 18221
1994 1 4 . 1 1 84 84 GLY C C 75 174.913 174.913 175.524 -0.611 18221
1995 1 4 . 1 1 84 84 GLY CA C 75 46.777 46.777 46.914 -0.137 18221
1996 1 4 . 1 1 84 84 GLY H H 75 8.369 8.369 7.928 0.441 18221
1997 1 4 . 1 1 85 85 ALA N N 76 123.550 123.550 125.286 -1.736 18221
1998 1 4 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.083 0.011 18221
1999 1 4 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.860 -0.262 18221
2000 1 4 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.233 -0.610 18221
2001 1 4 . 1 1 85 85 ALA H H 76 8.115 8.115 7.976 0.139 18221
2002 1 4 . 1 1 86 86 ALA N N 77 120.410 120.410 121.563 -1.153 18221
2003 1 4 . 1 1 86 86 ALA C C 77 178.988 178.988 179.788 -0.800 18221
2004 1 4 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.143 -0.307 18221
2005 1 4 . 1 1 86 86 ALA CB C 77 17.510 17.510 18.016 -0.506 18221
2006 1 4 . 1 1 86 86 ALA H H 77 8.632 8.632 8.092 0.539 18221
2007 1 4 . 1 1 87 87 GLY N N 78 105.706 105.706 107.305 -1.599 18221
2008 1 4 . 1 1 87 87 GLY C C 78 175.939 175.939 176.017 -0.078 18221
2009 1 4 . 1 1 87 87 GLY CA C 78 46.118 46.118 47.038 -0.920 18221
2010 1 4 . 1 1 87 87 GLY H H 78 8.196 8.196 8.135 0.061 18221
2011 1 4 . 1 1 88 88 LEU N N 79 124.128 124.128 121.417 2.711 18221
2012 1 4 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.462 -0.060 18221
2013 1 4 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.968 -1.581 18221
2014 1 4 . 1 1 88 88 LEU H H 79 8.449 8.449 7.889 0.560 18221
2015 1 4 . 1 1 89 89 SER N N 80 116.251 116.251 115.226 1.025 18221
2016 1 4 . 1 1 89 89 SER C C 80 179.153 179.153 176.663 2.490 18221
2017 1 4 . 1 1 89 89 SER CA C 80 61.023 61.023 61.742 -0.719 18221
2018 1 4 . 1 1 89 89 SER CB C 80 62.255 62.255 62.556 -0.301 18221
2019 1 4 . 1 1 89 89 SER H H 80 8.120 8.120 8.092 0.028 18221
2020 1 4 . 1 1 90 90 VAL N N 81 119.310 119.310 121.807 -2.497 18221
2021 1 4 . 1 1 90 90 VAL C C 81 177.652 177.652 177.896 -0.244 18221
2022 1 4 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.474 -0.398 18221
2023 1 4 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.809 -0.479 18221
2024 1 4 . 1 1 90 90 VAL H H 81 7.955 7.955 8.355 -0.400 18221
2025 1 4 . 1 1 91 91 THR N N 82 115.535 115.535 116.357 -0.822 18221
2026 1 4 . 1 1 91 91 THR C C 82 176.571 176.571 176.691 -0.120 18221
2027 1 4 . 1 1 91 91 THR CA C 82 66.434 66.434 67.466 -1.032 18221
2028 1 4 . 1 1 91 91 THR CB C 82 67.742 67.742 68.313 -0.571 18221
2029 1 4 . 1 1 91 91 THR H H 82 7.888 7.888 8.391 -0.503 18221
2030 1 4 . 1 1 92 92 SER N N 83 116.537 116.537 118.465 -1.928 18221
2031 1 4 . 1 1 92 92 SER HA H 83 4.040 4.040 3.923 0.117 18221
2032 1 4 . 1 1 92 92 SER C C 83 176.761 176.761 176.578 0.183 18221
2033 1 4 . 1 1 92 92 SER CA C 83 61.564 61.564 62.447 -0.882 18221
2034 1 4 . 1 1 92 92 SER CB C 83 62.009 62.009 62.997 -0.988 18221
2035 1 4 . 1 1 92 92 SER H H 83 8.212 8.212 8.176 0.036 18221
2036 1 4 . 1 1 93 93 LYS N N 84 122.353 122.353 120.850 1.503 18221
2037 1 4 . 1 1 93 93 LYS HA H 84 4.119 4.119 4.012 0.107 18221
2038 1 4 . 1 1 93 93 LYS C C 84 172.812 172.812 179.050 -6.238 18221
2039 1 4 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.471 -1.036 18221
2040 1 4 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.383 -0.906 18221
2041 1 4 . 1 1 93 93 LYS H H 84 7.642 7.642 8.023 -0.381 18221
2042 1 4 . 1 1 94 94 VAL N N 85 119.348 119.348 118.537 0.811 18221
2043 1 4 . 1 1 94 94 VAL C C 85 177.948 177.948 177.102 0.846 18221
2044 1 4 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.520 -0.131 18221
2045 1 4 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.784 0.062 18221
2046 1 4 . 1 1 94 94 VAL H H 85 8.414 8.414 7.924 0.490 18221
2047 1 4 . 1 1 95 95 ILE N N 86 118.769 118.769 116.487 2.282 18221
2048 1 4 . 1 1 95 95 ILE C C 86 177.972 177.972 175.655 2.317 18221
2049 1 4 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.482 0.355 18221
2050 1 4 . 1 1 95 95 ILE CB C 86 36.632 36.632 39.153 -2.521 18221
2051 1 4 . 1 1 95 95 ILE H H 86 8.169 8.169 7.714 0.455 18221
2052 1 4 . 1 1 96 96 GLY N N 87 107.955 107.955 104.459 3.496 18221
2053 1 4 . 1 1 96 96 GLY C C 87 176.571 176.571 172.942 3.629 18221
2054 1 4 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.177 2.334 18221
2055 1 4 . 1 1 96 96 GLY H H 87 8.182 8.182 8.007 0.175 18221
2056 1 4 . 1 1 97 97 GLY N N 88 109.117 109.117 109.813 -0.696 18221
2057 1 4 . 1 1 97 97 GLY C C 88 175.524 175.524 174.788 0.736 18221
2058 1 4 . 1 1 97 97 GLY CA C 88 45.832 45.832 45.762 0.070 18221
2059 1 4 . 1 1 97 97 GLY H H 88 7.953 7.953 8.137 -0.184 18221
2060 1 4 . 1 1 98 98 PHE N N 89 121.100 121.100 119.541 1.559 18221
2061 1 4 . 1 1 98 98 PHE C C 89 176.367 176.367 174.404 1.963 18221
2062 1 4 . 1 1 98 98 PHE CA C 89 56.900 56.900 59.085 -2.185 18221
2063 1 4 . 1 1 98 98 PHE CB C 89 38.832 38.832 38.193 0.639 18221
2064 1 4 . 1 1 98 98 PHE H H 89 8.000 8.000 8.170 -0.170 18221
2065 1 4 . 1 1 99 99 ALA N N 90 122.834 122.834 126.843 -4.009 18221
2066 1 4 . 1 1 99 99 ALA C C 90 178.348 178.348 176.261 2.087 18221
2067 1 4 . 1 1 99 99 ALA CA C 90 55.277 55.277 51.348 3.929 18221
2068 1 4 . 1 1 99 99 ALA CB C 90 17.414 17.414 20.419 -3.005 18221
2069 1 4 . 1 1 99 99 ALA H H 90 8.322 8.322 8.191 0.131 18221
2070 1 4 . 1 1 100 100 GLY N N 91 106.688 106.688 113.827 -7.139 18221
2071 1 4 . 1 1 100 100 GLY C C 91 175.878 175.878 175.175 0.703 18221
2072 1 4 . 1 1 100 100 GLY CA C 91 45.626 45.626 46.898 -1.272 18221
2073 1 4 . 1 1 100 100 GLY H H 91 8.000 8.000 8.794 -0.794 18221
2074 1 4 . 1 1 101 101 THR N N 92 115.689 115.689 117.928 -2.239 18221
2075 1 4 . 1 1 101 101 THR C C 92 178.476 178.476 173.793 4.683 18221
2076 1 4 . 1 1 101 101 THR CA C 92 63.364 63.364 62.145 1.219 18221
2077 1 4 . 1 1 101 101 THR CB C 92 69.619 69.619 70.373 -0.754 18221
2078 1 4 . 1 1 101 101 THR H H 92 7.754 7.754 8.308 -0.554 18221
2079 1 4 . 1 1 102 102 ALA N N 93 124.835 124.835 123.633 1.202 18221
2080 1 4 . 1 1 102 102 ALA CA C 93 54.311 54.311 52.940 1.371 18221
2081 1 4 . 1 1 102 102 ALA CB C 93 17.679 17.679 17.578 0.101 18221
2082 1 4 . 1 1 102 102 ALA H H 93 7.919 7.919 8.237 -0.318 18221
2083 1 4 . 1 1 103 103 LEU N N 94 117.445 117.445 119.008 -1.563 18221
2084 1 4 . 1 1 103 103 LEU CA C 94 56.782 56.782 55.365 1.417 18221
2085 1 4 . 1 1 103 103 LEU CB C 94 40.902 40.902 42.314 -1.412 18221
2086 1 4 . 1 1 103 103 LEU H H 94 8.037 8.037 8.097 -0.060 18221
2087 1 4 . 1 1 104 104 GLY N N 95 106.296 106.296 110.363 -4.067 18221
2088 1 4 . 1 1 104 104 GLY C C 95 175.851 175.851 174.847 1.004 18221
2089 1 4 . 1 1 104 104 GLY CA C 95 46.570 46.570 45.409 1.161 18221
2090 1 4 . 1 1 104 104 GLY H H 95 7.900 7.900 8.072 -0.172 18221
2091 1 4 . 1 1 105 105 ALA N N 96 123.872 123.872 122.786 1.086 18221
2092 1 4 . 1 1 105 105 ALA CA C 96 54.126 54.126 51.213 2.913 18221
2093 1 4 . 1 1 105 105 ALA CB C 96 17.587 17.587 19.459 -1.871 18221
2094 1 4 . 1 1 105 105 ALA H H 96 7.804 7.804 8.197 -0.393 18221
2095 1 4 . 1 1 106 106 TRP N N 97 120.348 120.348 121.335 -0.987 18221
2096 1 4 . 1 1 106 106 TRP C C 97 176.857 176.857 173.961 2.896 18221
2097 1 4 . 1 1 106 106 TRP CA C 97 56.900 56.900 57.237 -0.337 18221
2098 1 4 . 1 1 106 106 TRP H H 97 8.385 8.385 7.908 0.477 18221
2099 1 4 . 1 1 107 107 LEU N N 98 117.756 117.756 129.548 -11.792 18221
2100 1 4 . 1 1 107 107 LEU C C 98 177.659 177.659 175.175 2.484 18221
2101 1 4 . 1 1 107 107 LEU CA C 98 55.103 55.103 53.479 1.624 18221
2102 1 4 . 1 1 107 107 LEU CB C 98 41.418 41.418 40.927 0.491 18221
2103 1 4 . 1 1 107 107 LEU H H 98 7.880 7.880 8.171 -0.291 18221
2104 1 4 . 1 1 108 108 GLY N N 99 107.285 107.285 106.569 0.716 18221
2105 1 4 . 1 1 108 108 GLY C C 99 173.815 173.815 172.664 1.151 18221
2106 1 4 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.459 0.488 18221
2107 1 4 . 1 1 108 108 GLY H H 99 7.694 7.694 6.454 1.240 18221
2108 1 4 . 1 1 109 109 SER N N 100 117.139 117.139 116.924 0.215 18221
2109 1 4 . 1 1 109 109 SER C C 100 172.179 172.179 173.666 -1.487 18221
2110 1 4 . 1 1 109 109 SER CA C 100 56.015 56.015 56.800 -0.785 18221
2111 1 4 . 1 1 109 109 SER CB C 100 62.771 62.771 63.556 -0.785 18221
2112 1 4 . 1 1 109 109 SER H H 100 8.030 8.030 8.166 -0.136 18221
2113 1 4 . 1 1 111 111 PRO C C 102 177.073 177.073 176.331 0.742 18221
2114 1 4 . 1 1 111 111 PRO CA C 102 62.199 62.199 62.712 -0.513 18221
2115 1 4 . 1 1 111 111 PRO CB C 102 31.211 31.211 29.845 1.366 18221
2116 1 4 . 1 1 112 112 SER N N 103 117.115 117.115 116.222 0.893 18221
2117 1 4 . 1 1 112 112 SER C C 103 173.898 173.898 173.859 0.039 18221
2118 1 4 . 1 1 112 112 SER CA C 103 57.904 57.904 58.807 -0.903 18221
2119 1 4 . 1 1 112 112 SER CB C 103 63.360 63.360 62.751 0.609 18221
2120 1 4 . 1 1 112 112 SER H H 103 8.345 8.345 8.477 -0.132 18221
2121 1 5 . 1 1 11 11 GLY N N 2 109.366 109.366 110.024 -0.658 18221
2122 1 5 . 1 1 11 11 GLY C C 2 174.543 174.543 173.083 1.460 18221
2123 1 5 . 1 1 11 11 GLY CA C 2 45.695 45.695 44.388 1.307 18221
2124 1 5 . 1 1 11 11 GLY H H 2 8.271 8.271 8.030 0.241 18221
2125 1 5 . 1 1 12 12 LYS N N 3 121.129 121.129 120.970 0.159 18221
2126 1 5 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.493 -0.361 18221
2127 1 5 . 1 1 12 12 LYS C C 3 177.234 177.234 175.059 2.175 18221
2128 1 5 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.473 0.339 18221
2129 1 5 . 1 1 12 12 LYS CB C 3 31.846 31.846 32.884 -1.038 18221
2130 1 5 . 1 1 12 12 LYS H H 3 8.057 8.057 8.294 -0.237 18221
2131 1 5 . 1 1 13 13 GLU N N 4 120.318 120.318 121.511 -1.193 18221
2132 1 5 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.476 -0.321 18221
2133 1 5 . 1 1 13 13 GLU C C 4 176.857 176.857 175.591 1.266 18221
2134 1 5 . 1 1 13 13 GLU CA C 4 56.871 56.871 55.904 0.967 18221
2135 1 5 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.870 -2.482 18221
2136 1 5 . 1 1 13 13 GLU H H 4 8.398 8.398 8.247 0.151 18221
2137 1 5 . 1 1 14 14 SER N N 5 115.504 115.504 116.743 -1.239 18221
2138 1 5 . 1 1 14 14 SER HA H 5 3.843 3.843 4.270 -0.427 18221
2139 1 5 . 1 1 14 14 SER C C 5 175.337 175.337 174.501 0.836 18221
2140 1 5 . 1 1 14 14 SER CA C 5 58.524 58.524 58.080 0.444 18221
2141 1 5 . 1 1 14 14 SER CB C 5 63.360 63.360 63.730 -0.370 18221
2142 1 5 . 1 1 14 14 SER H H 5 8.089 8.089 8.585 -0.496 18221
2143 1 5 . 1 1 15 15 GLY N N 6 110.761 110.761 108.714 2.047 18221
2144 1 5 . 1 1 15 15 GLY C C 6 174.581 174.581 173.455 1.126 18221
2145 1 5 . 1 1 15 15 GLY CA C 6 45.566 45.566 44.986 0.580 18221
2146 1 5 . 1 1 15 15 GLY H H 6 8.197 8.197 8.225 -0.028 18221
2147 1 5 . 1 1 16 16 TRP N N 7 121.800 121.800 124.731 -2.931 18221
2148 1 5 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.517 0.043 18221
2149 1 5 . 1 1 16 16 TRP C C 7 176.920 176.920 175.331 1.589 18221
2150 1 5 . 1 1 16 16 TRP CA C 7 58.081 58.081 58.056 0.025 18221
2151 1 5 . 1 1 16 16 TRP CB C 7 28.679 28.679 29.974 -1.295 18221
2152 1 5 . 1 1 16 16 TRP H H 7 8.184 8.184 8.211 -0.027 18221
2153 1 5 . 1 1 17 17 ASP N N 8 121.132 121.132 126.193 -5.061 18221
2154 1 5 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.483 -0.088 18221
2155 1 5 . 1 1 17 17 ASP C C 8 176.941 176.941 173.989 2.952 18221
2156 1 5 . 1 1 17 17 ASP CA C 8 56.244 56.244 53.413 2.831 18221
2157 1 5 . 1 1 17 17 ASP CB C 8 39.945 39.945 42.655 -2.710 18221
2158 1 5 . 1 1 17 17 ASP H H 8 8.332 8.332 7.524 0.808 18221
2159 1 5 . 1 1 18 18 SER N N 9 116.148 116.148 116.301 -0.153 18221
2160 1 5 . 1 1 18 18 SER HA H 9 3.861 3.861 4.689 -0.828 18221
2161 1 5 . 1 1 18 18 SER CA C 9 60.081 60.081 57.450 2.631 18221
2162 1 5 . 1 1 18 18 SER CB C 9 62.255 62.255 66.006 -3.751 18221
2163 1 5 . 1 1 18 18 SER H H 9 8.129 8.129 8.161 -0.032 18221
2164 1 5 . 1 1 19 19 GLY N N 10 110.747 110.747 111.509 -0.762 18221
2165 1 5 . 1 1 19 19 GLY C C 10 174.682 174.682 175.480 -0.798 18221
2166 1 5 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.033 1.567 18221
2167 1 5 . 1 1 19 19 GLY H H 10 8.216 8.216 8.169 0.047 18221
2168 1 5 . 1 1 20 20 ARG N N 11 121.405 121.405 120.623 0.782 18221
2169 1 5 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.048 -0.191 18221
2170 1 5 . 1 1 20 20 ARG C C 11 178.328 178.328 179.055 -0.727 18221
2171 1 5 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.882 0.203 18221
2172 1 5 . 1 1 20 20 ARG CB C 11 29.047 29.047 29.949 -0.902 18221
2173 1 5 . 1 1 20 20 ARG H H 11 8.158 8.158 8.488 -0.330 18221
2174 1 5 . 1 1 21 21 ALA N N 12 122.167 122.167 119.897 2.270 18221
2175 1 5 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.045 0.055 18221
2176 1 5 . 1 1 21 21 ALA C C 12 180.129 180.129 179.348 0.781 18221
2177 1 5 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.787 -0.395 18221
2178 1 5 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.908 -0.494 18221
2179 1 5 . 1 1 21 21 ALA H H 12 7.963 7.963 8.475 -0.512 18221
2180 1 5 . 1 1 22 22 ALA N N 13 122.150 122.150 121.740 0.410 18221
2181 1 5 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.999 0.038 18221
2182 1 5 . 1 1 22 22 ALA C C 13 179.095 179.095 179.821 -0.726 18221
2183 1 5 . 1 1 22 22 ALA CA C 13 54.716 54.716 55.100 -0.384 18221
2184 1 5 . 1 1 22 22 ALA CB C 13 17.561 17.561 17.921 -0.360 18221
2185 1 5 . 1 1 22 22 ALA H H 13 7.881 7.881 7.572 0.309 18221
2186 1 5 . 1 1 23 23 VAL N N 14 117.107 117.107 118.827 -1.720 18221
2187 1 5 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.624 -0.144 18221
2188 1 5 . 1 1 23 23 VAL C C 14 177.586 177.586 178.295 -0.709 18221
2189 1 5 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.204 0.994 18221
2190 1 5 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.577 -0.057 18221
2191 1 5 . 1 1 23 23 VAL H H 14 7.888 7.888 8.068 -0.180 18221
2192 1 5 . 1 1 24 24 ALA N N 15 121.333 121.333 121.872 -0.539 18221
2193 1 5 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.990 -0.009 18221
2194 1 5 . 1 1 24 24 ALA C C 15 180.373 180.373 179.499 0.874 18221
2195 1 5 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.206 -0.195 18221
2196 1 5 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.862 -0.610 18221
2197 1 5 . 1 1 24 24 ALA H H 15 8.037 8.037 7.662 0.375 18221
2198 1 5 . 1 1 25 25 ALA N N 16 121.158 121.158 119.587 1.571 18221
2199 1 5 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.204 -0.058 18221
2200 1 5 . 1 1 25 25 ALA C C 16 179.828 179.828 178.705 1.123 18221
2201 1 5 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.811 -0.360 18221
2202 1 5 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.478 -0.991 18221
2203 1 5 . 1 1 25 25 ALA H H 16 7.819 7.819 7.864 -0.045 18221
2204 1 5 . 1 1 26 26 VAL N N 17 118.417 118.417 115.938 2.479 18221
2205 1 5 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.935 -0.157 18221
2206 1 5 . 1 1 26 26 VAL C C 17 178.020 178.020 177.142 0.878 18221
2207 1 5 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.945 1.633 18221
2208 1 5 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.778 -0.693 18221
2209 1 5 . 1 1 26 26 VAL H H 17 7.848 7.848 7.375 0.473 18221
2210 1 5 . 1 1 27 27 VAL N N 18 119.240 119.240 118.592 0.648 18221
2211 1 5 . 1 1 27 27 VAL C C 18 177.719 177.719 176.973 0.746 18221
2212 1 5 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.219 1.772 18221
2213 1 5 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.063 -1.876 18221
2214 1 5 . 1 1 27 27 VAL H H 18 8.377 8.377 7.569 0.808 18221
2215 1 5 . 1 1 28 28 GLY N N 19 106.009 106.009 107.018 -1.009 18221
2216 1 5 . 1 1 28 28 GLY C C 19 176.212 176.212 174.049 2.163 18221
2217 1 5 . 1 1 28 28 GLY CA C 19 46.244 46.244 45.209 1.035 18221
2218 1 5 . 1 1 28 28 GLY H H 19 8.122 8.122 7.670 0.452 18221
2219 1 5 . 1 1 29 29 GLY N N 20 110.216 110.216 112.795 -2.579 18221
2220 1 5 . 1 1 29 29 GLY C C 20 174.097 174.097 175.084 -0.987 18221
2221 1 5 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.626 1.708 18221
2222 1 5 . 1 1 29 29 GLY H H 20 8.039 8.039 8.253 -0.214 18221
2223 1 5 . 1 1 30 30 VAL N N 21 121.188 121.188 120.944 0.244 18221
2224 1 5 . 1 1 30 30 VAL C C 21 177.073 177.073 177.413 -0.340 18221
2225 1 5 . 1 1 30 30 VAL CA C 21 62.574 62.574 65.928 -3.354 18221
2226 1 5 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.845 -1.055 18221
2227 1 5 . 1 1 30 30 VAL H H 21 7.983 7.983 8.109 -0.126 18221
2228 1 5 . 1 1 32 32 ALA N N 23 125.091 125.091 121.154 3.937 18221
2229 1 5 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.101 0.159 18221
2230 1 5 . 1 1 32 32 ALA C C 23 179.523 179.523 180.333 -0.810 18221
2231 1 5 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.101 -1.418 18221
2232 1 5 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.110 -1.727 18221
2233 1 5 . 1 1 32 32 ALA H H 23 8.036 8.036 8.374 -0.339 18221
2234 1 5 . 1 1 33 33 VAL N N 24 118.793 118.793 117.582 1.211 18221
2235 1 5 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.638 0.070 18221
2236 1 5 . 1 1 33 33 VAL C C 24 177.901 177.901 178.048 -0.147 18221
2237 1 5 . 1 1 33 33 VAL CA C 24 65.430 65.430 65.838 -0.408 18221
2238 1 5 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.394 -0.076 18221
2239 1 5 . 1 1 33 33 VAL H H 24 8.195 8.195 8.076 0.119 18221
2240 1 5 . 1 1 34 34 GLY N N 25 108.367 108.367 108.760 -0.393 18221
2241 1 5 . 1 1 34 34 GLY C C 25 175.424 175.424 175.954 -0.530 18221
2242 1 5 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.528 -0.194 18221
2243 1 5 . 1 1 34 34 GLY H H 25 8.651 8.651 8.358 0.293 18221
2244 1 5 . 1 1 35 35 THR N N 26 116.448 116.448 119.557 -3.109 18221
2245 1 5 . 1 1 35 35 THR C C 26 176.843 176.843 176.922 -0.079 18221
2246 1 5 . 1 1 35 35 THR CA C 26 65.962 65.962 67.013 -1.051 18221
2247 1 5 . 1 1 35 35 THR CB C 26 68.414 68.414 68.570 -0.156 18221
2248 1 5 . 1 1 35 35 THR H H 26 7.975 7.975 8.352 -0.377 18221
2249 1 5 . 1 1 36 36 VAL N N 27 122.810 122.810 121.853 0.957 18221
2250 1 5 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.577 0.142 18221
2251 1 5 . 1 1 36 36 VAL C C 27 177.618 177.618 177.646 -0.028 18221
2252 1 5 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.615 -0.889 18221
2253 1 5 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.706 -1.038 18221
2254 1 5 . 1 1 36 36 VAL H H 27 7.559 7.559 8.049 -0.490 18221
2255 1 5 . 1 1 37 37 LEU N N 28 119.566 119.566 120.148 -0.582 18221
2256 1 5 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.872 0.081 18221
2257 1 5 . 1 1 37 37 LEU C C 28 179.666 179.666 179.018 0.648 18221
2258 1 5 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.350 -0.505 18221
2259 1 5 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.873 -1.707 18221
2260 1 5 . 1 1 37 37 LEU H H 28 8.086 8.086 7.754 0.332 18221
2261 1 5 . 1 1 38 38 VAL N N 29 119.468 119.468 118.881 0.587 18221
2262 1 5 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.526 0.127 18221
2263 1 5 . 1 1 38 38 VAL C C 29 178.639 178.639 177.619 1.020 18221
2264 1 5 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.339 -0.866 18221
2265 1 5 . 1 1 38 38 VAL CB C 29 30.609 30.609 30.837 -0.228 18221
2266 1 5 . 1 1 38 38 VAL H H 29 8.066 8.066 8.174 -0.108 18221
2267 1 5 . 1 1 39 39 ALA N N 30 124.255 124.255 122.440 1.815 18221
2268 1 5 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.148 0.017 18221
2269 1 5 . 1 1 39 39 ALA C C 30 180.303 180.303 180.054 0.249 18221
2270 1 5 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.182 -0.348 18221
2271 1 5 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.276 -0.568 18221
2272 1 5 . 1 1 39 39 ALA H H 30 7.688 7.688 7.929 -0.241 18221
2273 1 5 . 1 1 40 40 LEU N N 31 118.268 118.268 118.427 -0.159 18221
2274 1 5 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.105 0.036 18221
2275 1 5 . 1 1 40 40 LEU C C 31 179.271 179.271 178.750 0.521 18221
2276 1 5 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.694 -0.617 18221
2277 1 5 . 1 1 40 40 LEU CB C 31 40.902 40.902 42.004 -1.102 18221
2278 1 5 . 1 1 40 40 LEU H H 31 8.326 8.326 8.210 0.116 18221
2279 1 5 . 1 1 41 41 SER N N 32 114.984 114.984 114.921 0.063 18221
2280 1 5 . 1 1 41 41 SER HA H 32 3.952 3.952 4.158 -0.206 18221
2281 1 5 . 1 1 41 41 SER C C 32 176.284 176.284 176.304 -0.020 18221
2282 1 5 . 1 1 41 41 SER CA C 32 60.885 60.885 61.763 -0.878 18221
2283 1 5 . 1 1 41 41 SER CB C 32 62.410 62.410 63.312 -0.902 18221
2284 1 5 . 1 1 41 41 SER H H 32 8.062 8.062 8.007 0.055 18221
2285 1 5 . 1 1 42 42 ALA N N 33 124.588 124.588 124.255 0.333 18221
2286 1 5 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.065 0.160 18221
2287 1 5 . 1 1 42 42 ALA C C 33 179.033 179.033 179.124 -0.091 18221
2288 1 5 . 1 1 42 42 ALA CA C 33 53.713 53.713 54.772 -1.059 18221
2289 1 5 . 1 1 42 42 ALA CB C 33 17.929 17.929 18.351 -0.422 18221
2290 1 5 . 1 1 42 42 ALA H H 33 7.813 7.813 8.210 -0.397 18221
2291 1 5 . 1 1 43 43 MET N N 34 116.808 116.808 116.998 -0.190 18221
2292 1 5 . 1 1 43 43 MET HA H 34 4.285 4.285 4.169 0.116 18221
2293 1 5 . 1 1 43 43 MET C C 34 176.807 176.807 177.895 -1.088 18221
2294 1 5 . 1 1 43 43 MET CA C 34 56.576 56.576 57.629 -1.053 18221
2295 1 5 . 1 1 43 43 MET CB C 34 32.435 32.435 33.035 -0.600 18221
2296 1 5 . 1 1 43 43 MET H H 34 7.691 7.691 7.547 0.144 18221
2297 1 5 . 1 1 44 44 GLY N N 35 107.020 107.020 101.985 5.035 18221
2298 1 5 . 1 1 44 44 GLY C C 35 174.493 174.493 174.364 0.129 18221
2299 1 5 . 1 1 44 44 GLY CA C 35 45.065 45.065 44.599 0.466 18221
2300 1 5 . 1 1 44 44 GLY H H 35 7.793 7.793 8.244 -0.451 18221
2301 1 5 . 1 1 45 45 PHE N N 36 120.285 120.285 121.245 -0.960 18221
2302 1 5 . 1 1 45 45 PHE HA H 36 4.507 4.507 3.999 0.508 18221
2303 1 5 . 1 1 45 45 PHE C C 36 176.876 176.876 175.035 1.841 18221
2304 1 5 . 1 1 45 45 PHE CA C 36 58.937 58.937 60.316 -1.379 18221
2305 1 5 . 1 1 45 45 PHE CB C 36 38.178 38.178 39.205 -1.027 18221
2306 1 5 . 1 1 45 45 PHE H H 36 8.215 8.215 8.057 0.158 18221
2307 1 5 . 1 1 46 46 THR N N 37 114.008 114.008 111.511 2.497 18221
2308 1 5 . 1 1 46 46 THR HA H 37 4.080 4.080 3.995 0.085 18221
2309 1 5 . 1 1 46 46 THR C C 37 175.751 175.751 173.052 2.699 18221
2310 1 5 . 1 1 46 46 THR CA C 37 64.220 64.220 63.404 0.816 18221
2311 1 5 . 1 1 46 46 THR CB C 37 68.514 68.514 68.641 -0.127 18221
2312 1 5 . 1 1 46 46 THR H H 37 8.111 8.111 8.159 -0.048 18221
2313 1 5 . 1 1 47 47 SER N N 38 116.646 116.646 117.227 -0.581 18221
2314 1 5 . 1 1 47 47 SER HA H 38 3.918 3.918 4.583 -0.665 18221
2315 1 5 . 1 1 47 47 SER C C 38 176.744 176.744 175.674 1.070 18221
2316 1 5 . 1 1 47 47 SER CA C 38 59.911 59.911 59.629 0.282 18221
2317 1 5 . 1 1 47 47 SER CB C 38 62.624 62.624 63.753 -1.129 18221
2318 1 5 . 1 1 47 47 SER H H 38 8.079 8.079 8.234 -0.155 18221
2319 1 5 . 1 1 48 48 VAL N N 39 121.929 121.929 121.459 0.470 18221
2320 1 5 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.770 0.139 18221
2321 1 5 . 1 1 48 48 VAL C C 39 177.033 177.033 177.541 -0.508 18221
2322 1 5 . 1 1 48 48 VAL CA C 39 64.988 64.988 65.507 -0.519 18221
2323 1 5 . 1 1 48 48 VAL CB C 39 30.667 30.667 30.383 0.284 18221
2324 1 5 . 1 1 48 48 VAL H H 39 7.985 7.985 8.016 -0.031 18221
2325 1 5 . 1 1 49 49 GLY N N 40 108.633 108.633 107.974 0.659 18221
2326 1 5 . 1 1 49 49 GLY C C 40 176.038 176.038 176.500 -0.462 18221
2327 1 5 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.635 -0.770 18221
2328 1 5 . 1 1 49 49 GLY H H 40 8.267 8.267 8.313 -0.046 18221
2329 1 5 . 1 1 50 50 ILE N N 41 122.466 122.466 123.650 -1.184 18221
2330 1 5 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.616 0.255 18221
2331 1 5 . 1 1 50 50 ILE C C 41 178.363 178.363 178.098 0.265 18221
2332 1 5 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.308 -0.793 18221
2333 1 5 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.715 -0.477 18221
2334 1 5 . 1 1 50 50 ILE H H 41 7.865 7.865 7.971 -0.106 18221
2335 1 5 . 1 1 51 51 ALA N N 42 125.064 125.064 121.909 3.155 18221
2336 1 5 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.805 0.294 18221
2337 1 5 . 1 1 51 51 ALA C C 42 179.385 179.385 179.009 0.376 18221
2338 1 5 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.438 -0.958 18221
2339 1 5 . 1 1 51 51 ALA CB C 42 17.487 17.487 18.028 -0.541 18221
2340 1 5 . 1 1 51 51 ALA H H 42 7.930 7.930 8.467 -0.537 18221
2341 1 5 . 1 1 52 52 ALA N N 43 120.594 120.594 119.916 0.678 18221
2342 1 5 . 1 1 52 52 ALA HA H 43 3.937 3.937 3.970 -0.033 18221
2343 1 5 . 1 1 52 52 ALA C C 43 179.088 179.088 180.056 -0.968 18221
2344 1 5 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.855 0.245 18221
2345 1 5 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.042 -0.407 18221
2346 1 5 . 1 1 52 52 ALA H H 43 8.639 8.639 8.133 0.506 18221
2347 1 5 . 1 1 53 53 SER N N 44 113.012 113.012 114.696 -1.684 18221
2348 1 5 . 1 1 53 53 SER HA H 44 3.966 3.966 4.179 -0.213 18221
2349 1 5 . 1 1 53 53 SER C C 44 176.898 176.898 176.725 0.173 18221
2350 1 5 . 1 1 53 53 SER CA C 44 61.139 61.139 61.502 -0.363 18221
2351 1 5 . 1 1 53 53 SER CB C 44 62.347 62.347 63.100 -0.753 18221
2352 1 5 . 1 1 53 53 SER H H 44 8.193 8.193 8.097 0.096 18221
2353 1 5 . 1 1 54 54 SER N N 45 118.714 118.714 118.351 0.363 18221
2354 1 5 . 1 1 54 54 SER HA H 45 3.975 3.975 4.063 -0.088 18221
2355 1 5 . 1 1 54 54 SER C C 45 177.131 177.131 176.811 0.320 18221
2356 1 5 . 1 1 54 54 SER CA C 45 61.210 61.210 62.224 -1.014 18221
2357 1 5 . 1 1 54 54 SER CB C 45 62.255 62.255 63.062 -0.806 18221
2358 1 5 . 1 1 54 54 SER H H 45 7.944 7.944 8.116 -0.172 18221
2359 1 5 . 1 1 55 55 ILE N N 46 122.912 122.912 120.689 2.223 18221
2360 1 5 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.811 -0.054 18221
2361 1 5 . 1 1 55 55 ILE C C 46 177.813 177.813 177.025 0.788 18221
2362 1 5 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.824 -0.633 18221
2363 1 5 . 1 1 55 55 ILE CB C 46 36.926 36.926 38.040 -1.114 18221
2364 1 5 . 1 1 55 55 ILE H H 46 8.028 8.028 8.376 -0.348 18221
2365 1 5 . 1 1 56 56 ALA N N 47 122.990 122.990 120.699 2.291 18221
2366 1 5 . 1 1 56 56 ALA HA H 47 3.956 3.956 3.898 0.058 18221
2367 1 5 . 1 1 56 56 ALA C C 47 180.294 180.294 179.345 0.949 18221
2368 1 5 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.602 -0.264 18221
2369 1 5 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.744 -1.042 18221
2370 1 5 . 1 1 56 56 ALA H H 47 8.333 8.333 7.581 0.752 18221
2371 1 5 . 1 1 57 57 ALA N N 48 121.988 121.988 121.560 0.428 18221
2372 1 5 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.159 -0.091 18221
2373 1 5 . 1 1 57 57 ALA CA C 48 54.421 54.421 54.096 0.326 18221
2374 1 5 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.470 -1.768 18221
2375 1 5 . 1 1 57 57 ALA H H 48 7.879 7.879 7.977 -0.098 18221
2376 1 5 . 1 1 58 58 LYS N N 49 119.094 119.094 115.673 3.421 18221
2377 1 5 . 1 1 58 58 LYS HA H 49 4.146 4.146 4.592 -0.446 18221
2378 1 5 . 1 1 58 58 LYS C C 49 179.649 179.649 176.640 3.009 18221
2379 1 5 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.026 1.131 18221
2380 1 5 . 1 1 58 58 LYS CB C 49 31.330 31.330 34.294 -2.964 18221
2381 1 5 . 1 1 58 58 LYS H H 49 7.727 7.727 8.193 -0.466 18221
2382 1 5 . 1 1 59 59 MET N N 50 120.498 120.498 122.872 -2.374 18221
2383 1 5 . 1 1 59 59 MET HA H 50 4.156 4.156 4.399 -0.243 18221
2384 1 5 . 1 1 59 59 MET C C 50 177.949 177.949 177.125 0.824 18221
2385 1 5 . 1 1 59 59 MET CA C 50 57.136 57.136 58.205 -1.069 18221
2386 1 5 . 1 1 59 59 MET CB C 50 31.922 31.922 33.272 -1.349 18221
2387 1 5 . 1 1 59 59 MET H H 50 8.395 8.395 8.706 -0.311 18221
2388 1 5 . 1 1 60 60 MET N N 51 117.689 117.689 117.453 0.236 18221
2389 1 5 . 1 1 60 60 MET HA H 51 4.222 4.222 4.791 -0.569 18221
2390 1 5 . 1 1 60 60 MET C C 51 177.674 177.674 174.969 2.705 18221
2391 1 5 . 1 1 60 60 MET CA C 51 57.638 57.638 54.652 2.986 18221
2392 1 5 . 1 1 60 60 MET CB C 51 31.785 31.785 35.242 -3.457 18221
2393 1 5 . 1 1 60 60 MET H H 51 8.234 8.234 7.974 0.260 18221
2394 1 5 . 1 1 61 61 SER N N 52 114.385 114.385 117.191 -2.806 18221
2395 1 5 . 1 1 61 61 SER HA H 52 4.001 4.001 4.301 -0.300 18221
2396 1 5 . 1 1 61 61 SER C C 52 176.079 176.079 172.473 3.606 18221
2397 1 5 . 1 1 61 61 SER CA C 52 59.911 59.911 59.356 0.555 18221
2398 1 5 . 1 1 61 61 SER CB C 52 62.624 62.624 63.124 -0.500 18221
2399 1 5 . 1 1 61 61 SER H H 52 7.893 7.893 8.802 -0.909 18221
2400 1 5 . 1 1 62 62 THR N N 53 117.304 117.304 117.682 -0.378 18221
2401 1 5 . 1 1 62 62 THR HA H 53 4.104 4.104 4.890 -0.786 18221
2402 1 5 . 1 1 62 62 THR C C 53 175.436 175.436 172.258 3.178 18221
2403 1 5 . 1 1 62 62 THR CA C 53 64.220 64.220 62.105 2.115 18221
2404 1 5 . 1 1 62 62 THR CB C 53 68.514 68.514 69.677 -1.163 18221
2405 1 5 . 1 1 62 62 THR H H 53 7.794 7.794 8.213 -0.419 18221
2406 1 5 . 1 1 63 63 ALA N N 54 125.382 125.382 129.036 -3.654 18221
2407 1 5 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.555 -0.461 18221
2408 1 5 . 1 1 63 63 ALA C C 54 178.328 178.328 175.399 2.929 18221
2409 1 5 . 1 1 63 63 ALA CA C 54 54.096 54.096 53.221 0.875 18221
2410 1 5 . 1 1 63 63 ALA CB C 54 17.708 17.708 19.806 -2.098 18221
2411 1 5 . 1 1 63 63 ALA H H 54 8.204 8.204 8.704 -0.500 18221
2412 1 5 . 1 1 64 64 ALA N N 55 119.929 119.929 125.251 -5.322 18221
2413 1 5 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.394 -0.269 18221
2414 1 5 . 1 1 64 64 ALA C C 55 179.183 179.183 176.953 2.230 18221
2415 1 5 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.384 1.653 18221
2416 1 5 . 1 1 64 64 ALA CB C 55 17.708 17.708 19.134 -1.426 18221
2417 1 5 . 1 1 64 64 ALA H H 55 7.951 7.951 8.576 -0.625 18221
2418 1 5 . 1 1 65 65 ILE N N 56 117.016 117.016 118.992 -1.976 18221
2419 1 5 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.309 -0.359 18221
2420 1 5 . 1 1 65 65 ILE C C 56 177.222 177.222 175.269 1.953 18221
2421 1 5 . 1 1 65 65 ILE CA C 56 62.184 62.184 60.345 1.839 18221
2422 1 5 . 1 1 65 65 ILE CB C 56 37.073 37.073 36.380 0.693 18221
2423 1 5 . 1 1 65 65 ILE H H 56 7.561 7.561 8.068 -0.507 18221
2424 1 5 . 1 1 66 66 ALA N N 57 124.191 124.191 125.115 -0.924 18221
2425 1 5 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.069 0.108 18221
2426 1 5 . 1 1 66 66 ALA C C 57 178.190 178.190 175.887 2.303 18221
2427 1 5 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.167 1.369 18221
2428 1 5 . 1 1 66 66 ALA CB C 57 17.929 17.929 18.988 -1.059 18221
2429 1 5 . 1 1 66 66 ALA H H 57 7.982 7.982 7.946 0.036 18221
2430 1 5 . 1 1 67 67 ASN N N 58 116.132 116.132 119.826 -3.694 18221
2431 1 5 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.906 -0.233 18221
2432 1 5 . 1 1 67 67 ASN C C 58 176.344 176.344 175.041 1.303 18221
2433 1 5 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.251 0.226 18221
2434 1 5 . 1 1 67 67 ASN CB C 58 38.472 38.472 39.064 -0.592 18221
2435 1 5 . 1 1 67 67 ASN H H 58 8.113 8.113 8.486 -0.373 18221
2436 1 5 . 1 1 68 68 GLY N N 59 108.808 108.808 111.740 -2.932 18221
2437 1 5 . 1 1 68 68 GLY C C 59 174.958 174.958 173.524 1.434 18221
2438 1 5 . 1 1 68 68 GLY CA C 59 45.655 45.655 44.727 0.928 18221
2439 1 5 . 1 1 68 68 GLY H H 59 8.152 8.152 8.408 -0.256 18221
2440 1 5 . 1 1 69 69 GLY N N 60 108.832 108.832 107.044 1.788 18221
2441 1 5 . 1 1 69 69 GLY C C 60 174.631 174.631 174.161 0.470 18221
2442 1 5 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.707 0.712 18221
2443 1 5 . 1 1 69 69 GLY H H 60 8.218 8.218 8.300 -0.082 18221
2444 1 5 . 1 1 70 70 GLY N N 61 108.966 108.966 110.597 -1.631 18221
2445 1 5 . 1 1 70 70 GLY C C 61 174.594 174.594 173.426 1.168 18221
2446 1 5 . 1 1 70 70 GLY CA C 61 45.360 45.360 45.320 0.040 18221
2447 1 5 . 1 1 70 70 GLY H H 61 8.175 8.175 8.118 0.057 18221
2448 1 5 . 1 1 71 71 VAL N N 62 120.209 120.209 121.692 -1.483 18221
2449 1 5 . 1 1 71 71 VAL HA H 62 4.006 4.006 4.205 -0.199 18221
2450 1 5 . 1 1 71 71 VAL C C 62 176.077 176.077 176.110 -0.033 18221
2451 1 5 . 1 1 71 71 VAL CA C 62 62.390 62.390 62.920 -0.530 18221
2452 1 5 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.666 -0.968 18221
2453 1 5 . 1 1 71 71 VAL H H 62 7.882 7.882 8.520 -0.638 18221
2454 1 5 . 1 1 72 72 ALA N N 63 126.966 126.966 122.099 4.867 18221
2455 1 5 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.598 -0.572 18221
2456 1 5 . 1 1 72 72 ALA C C 63 178.064 178.064 175.936 2.128 18221
2457 1 5 . 1 1 72 72 ALA CA C 63 52.503 52.503 51.906 0.597 18221
2458 1 5 . 1 1 72 72 ALA CB C 63 18.225 18.225 19.445 -1.220 18221
2459 1 5 . 1 1 72 72 ALA H H 63 8.237 8.237 7.916 0.321 18221
2460 1 5 . 1 1 73 73 ALA N N 64 123.432 123.432 122.637 0.795 18221
2461 1 5 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.558 -0.543 18221
2462 1 5 . 1 1 73 73 ALA C C 64 178.995 178.995 177.790 1.205 18221
2463 1 5 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.347 2.074 18221
2464 1 5 . 1 1 73 73 ALA CB C 64 18.003 18.003 19.555 -1.552 18221
2465 1 5 . 1 1 73 73 ALA H H 64 8.421 8.421 8.312 0.109 18221
2466 1 5 . 1 1 74 74 GLY N N 65 105.577 105.577 107.447 -1.870 18221
2467 1 5 . 1 1 74 74 GLY C C 65 176.367 176.367 175.671 0.696 18221
2468 1 5 . 1 1 74 74 GLY CA C 65 46.244 46.244 45.133 1.111 18221
2469 1 5 . 1 1 74 74 GLY H H 65 8.448 8.448 7.963 0.485 18221
2470 1 5 . 1 1 75 75 SER N N 66 117.656 117.656 118.256 -0.600 18221
2471 1 5 . 1 1 75 75 SER HA H 66 4.394 4.394 4.082 0.312 18221
2472 1 5 . 1 1 75 75 SER C C 66 176.329 176.329 176.807 -0.478 18221
2473 1 5 . 1 1 75 75 SER CA C 66 60.236 60.236 60.925 -0.689 18221
2474 1 5 . 1 1 75 75 SER CB C 66 62.476 62.476 63.143 -0.667 18221
2475 1 5 . 1 1 75 75 SER H H 66 7.899 7.899 8.513 -0.614 18221
2476 1 5 . 1 1 76 76 LEU N N 67 122.743 122.743 122.738 0.005 18221
2477 1 5 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.965 0.085 18221
2478 1 5 . 1 1 76 76 LEU C C 67 178.442 178.442 178.204 0.238 18221
2479 1 5 . 1 1 76 76 LEU CA C 67 57.520 57.520 58.162 -0.642 18221
2480 1 5 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.894 -1.212 18221
2481 1 5 . 1 1 76 76 LEU H H 67 7.955 7.955 8.279 -0.324 18221
2482 1 5 . 1 1 77 77 VAL N N 68 118.400 118.400 118.640 -0.240 18221
2483 1 5 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.454 0.017 18221
2484 1 5 . 1 1 77 77 VAL C C 68 177.297 177.297 177.470 -0.173 18221
2485 1 5 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.607 0.063 18221
2486 1 5 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.222 -0.702 18221
2487 1 5 . 1 1 77 77 VAL H H 68 8.039 8.039 8.275 -0.236 18221
2488 1 5 . 1 1 78 78 ALA N N 69 121.927 121.927 122.004 -0.077 18221
2489 1 5 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.031 0.174 18221
2490 1 5 . 1 1 78 78 ALA C C 69 181.258 181.258 179.521 1.737 18221
2491 1 5 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.534 -0.552 18221
2492 1 5 . 1 1 78 78 ALA CB C 69 17.414 17.414 17.906 -0.492 18221
2493 1 5 . 1 1 78 78 ALA H H 69 7.631 7.631 8.007 -0.376 18221
2494 1 5 . 1 1 79 79 ILE N N 70 119.782 119.782 119.184 0.598 18221
2495 1 5 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.745 0.051 18221
2496 1 5 . 1 1 79 79 ILE C C 70 178.253 178.253 178.257 -0.004 18221
2497 1 5 . 1 1 79 79 ILE CA C 70 64.352 64.352 63.393 0.959 18221
2498 1 5 . 1 1 79 79 ILE CB C 70 37.073 37.073 36.931 0.142 18221
2499 1 5 . 1 1 79 79 ILE H H 70 7.841 7.841 7.326 0.515 18221
2500 1 5 . 1 1 80 80 LEU N N 71 120.841 120.841 119.961 0.880 18221
2501 1 5 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.761 0.176 18221
2502 1 5 . 1 1 80 80 LEU C C 71 179.234 179.234 179.045 0.189 18221
2503 1 5 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.463 -0.618 18221
2504 1 5 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.568 -1.549 18221
2505 1 5 . 1 1 80 80 LEU H H 71 8.190 8.190 8.451 -0.261 18221
2506 1 5 . 1 1 81 81 GLN N N 72 117.558 117.558 117.559 -0.001 18221
2507 1 5 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.868 0.101 18221
2508 1 5 . 1 1 81 81 GLN C C 72 178.530 178.530 178.483 0.047 18221
2509 1 5 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.247 -0.428 18221
2510 1 5 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.352 -1.071 18221
2511 1 5 . 1 1 81 81 GLN H H 72 8.489 8.489 8.259 0.230 18221
2512 1 5 . 1 1 82 82 SER N N 73 116.103 116.103 114.842 1.261 18221
2513 1 5 . 1 1 82 82 SER HA H 73 4.233 4.233 4.130 0.103 18221
2514 1 5 . 1 1 82 82 SER C C 73 177.243 177.243 176.996 0.247 18221
2515 1 5 . 1 1 82 82 SER CA C 73 61.044 61.044 61.427 -0.383 18221
2516 1 5 . 1 1 82 82 SER CB C 73 62.257 62.257 63.114 -0.857 18221
2517 1 5 . 1 1 82 82 SER H H 73 7.855 7.855 8.051 -0.196 18221
2518 1 5 . 1 1 83 83 VAL N N 74 120.362 120.362 121.544 -1.182 18221
2519 1 5 . 1 1 83 83 VAL C C 74 177.979 177.979 178.239 -0.260 18221
2520 1 5 . 1 1 83 83 VAL CA C 74 65.106 65.106 65.191 -0.085 18221
2521 1 5 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.189 -0.448 18221
2522 1 5 . 1 1 83 83 VAL H H 74 8.030 8.030 8.086 -0.056 18221
2523 1 5 . 1 1 84 84 GLY N N 75 108.223 108.223 107.606 0.617 18221
2524 1 5 . 1 1 84 84 GLY C C 75 174.913 174.913 175.292 -0.379 18221
2525 1 5 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.019 -0.242 18221
2526 1 5 . 1 1 84 84 GLY H H 75 8.369 8.369 7.896 0.473 18221
2527 1 5 . 1 1 85 85 ALA N N 76 123.550 123.550 124.404 -0.854 18221
2528 1 5 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.038 0.056 18221
2529 1 5 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.908 -0.310 18221
2530 1 5 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.238 -0.615 18221
2531 1 5 . 1 1 85 85 ALA H H 76 8.115 8.115 8.077 0.038 18221
2532 1 5 . 1 1 86 86 ALA N N 77 120.410 120.410 121.139 -0.729 18221
2533 1 5 . 1 1 86 86 ALA C C 77 178.988 178.988 179.639 -0.651 18221
2534 1 5 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.262 -0.426 18221
2535 1 5 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.913 -0.403 18221
2536 1 5 . 1 1 86 86 ALA H H 77 8.632 8.632 8.194 0.438 18221
2537 1 5 . 1 1 87 87 GLY N N 78 105.706 105.706 107.289 -1.583 18221
2538 1 5 . 1 1 87 87 GLY C C 78 175.939 175.939 176.182 -0.243 18221
2539 1 5 . 1 1 87 87 GLY CA C 78 46.118 46.118 47.019 -0.901 18221
2540 1 5 . 1 1 87 87 GLY H H 78 8.196 8.196 7.919 0.277 18221
2541 1 5 . 1 1 88 88 LEU N N 79 124.128 124.128 121.683 2.445 18221
2542 1 5 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.898 -0.496 18221
2543 1 5 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.787 -1.400 18221
2544 1 5 . 1 1 88 88 LEU H H 79 8.449 8.449 8.029 0.420 18221
2545 1 5 . 1 1 89 89 SER N N 80 116.251 116.251 115.167 1.084 18221
2546 1 5 . 1 1 89 89 SER C C 80 179.153 179.153 176.647 2.506 18221
2547 1 5 . 1 1 89 89 SER CA C 80 61.023 61.023 62.492 -1.468 18221
2548 1 5 . 1 1 89 89 SER CB C 80 62.255 62.255 63.080 -0.825 18221
2549 1 5 . 1 1 89 89 SER H H 80 8.120 8.120 8.162 -0.042 18221
2550 1 5 . 1 1 90 90 VAL N N 81 119.310 119.310 118.600 0.710 18221
2551 1 5 . 1 1 90 90 VAL C C 81 177.652 177.652 177.870 -0.218 18221
2552 1 5 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.760 -0.684 18221
2553 1 5 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.361 -0.031 18221
2554 1 5 . 1 1 90 90 VAL H H 81 7.955 7.955 8.117 -0.162 18221
2555 1 5 . 1 1 91 91 THR N N 82 115.535 115.535 117.811 -2.276 18221
2556 1 5 . 1 1 91 91 THR C C 82 176.571 176.571 176.680 -0.109 18221
2557 1 5 . 1 1 91 91 THR CA C 82 66.434 66.434 67.158 -0.724 18221
2558 1 5 . 1 1 91 91 THR CB C 82 67.742 67.742 68.668 -0.926 18221
2559 1 5 . 1 1 91 91 THR H H 82 7.888 7.888 8.441 -0.553 18221
2560 1 5 . 1 1 92 92 SER N N 83 116.537 116.537 117.332 -0.795 18221
2561 1 5 . 1 1 92 92 SER HA H 83 4.040 4.040 3.985 0.055 18221
2562 1 5 . 1 1 92 92 SER C C 83 176.761 176.761 176.155 0.606 18221
2563 1 5 . 1 1 92 92 SER CA C 83 61.564 61.564 62.273 -0.709 18221
2564 1 5 . 1 1 92 92 SER CB C 83 62.009 62.009 63.010 -1.000 18221
2565 1 5 . 1 1 92 92 SER H H 83 8.212 8.212 8.088 0.124 18221
2566 1 5 . 1 1 93 93 LYS N N 84 122.353 122.353 120.998 1.355 18221
2567 1 5 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.988 0.131 18221
2568 1 5 . 1 1 93 93 LYS C C 84 172.812 172.812 178.130 -5.318 18221
2569 1 5 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.659 -1.224 18221
2570 1 5 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.570 -1.093 18221
2571 1 5 . 1 1 93 93 LYS H H 84 7.642 7.642 8.152 -0.510 18221
2572 1 5 . 1 1 94 94 VAL N N 85 119.348 119.348 117.798 1.550 18221
2573 1 5 . 1 1 94 94 VAL C C 85 177.948 177.948 176.927 1.021 18221
2574 1 5 . 1 1 94 94 VAL CA C 85 65.389 65.389 64.911 0.478 18221
2575 1 5 . 1 1 94 94 VAL CB C 85 31.846 31.846 32.173 -0.327 18221
2576 1 5 . 1 1 94 94 VAL H H 85 8.414 8.414 7.657 0.757 18221
2577 1 5 . 1 1 95 95 ILE N N 86 118.769 118.769 117.701 1.068 18221
2578 1 5 . 1 1 95 95 ILE C C 86 177.972 177.972 176.549 1.423 18221
2579 1 5 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.436 0.401 18221
2580 1 5 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.829 -2.197 18221
2581 1 5 . 1 1 95 95 ILE H H 86 8.169 8.169 7.628 0.541 18221
2582 1 5 . 1 1 96 96 GLY N N 87 107.955 107.955 106.780 1.175 18221
2583 1 5 . 1 1 96 96 GLY C C 87 176.571 176.571 174.769 1.802 18221
2584 1 5 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.753 1.758 18221
2585 1 5 . 1 1 96 96 GLY H H 87 8.182 8.182 8.351 -0.169 18221
2586 1 5 . 1 1 97 97 GLY N N 88 109.117 109.117 107.863 1.254 18221
2587 1 5 . 1 1 97 97 GLY C C 88 175.524 175.524 174.030 1.494 18221
2588 1 5 . 1 1 97 97 GLY CA C 88 45.832 45.832 46.264 -0.432 18221
2589 1 5 . 1 1 97 97 GLY H H 88 7.953 7.953 8.444 -0.491 18221
2590 1 5 . 1 1 98 98 PHE N N 89 121.100 121.100 121.302 -0.202 18221
2591 1 5 . 1 1 98 98 PHE C C 89 176.367 176.367 173.724 2.643 18221
2592 1 5 . 1 1 98 98 PHE CA C 89 56.900 56.900 56.721 0.179 18221
2593 1 5 . 1 1 98 98 PHE CB C 89 38.832 38.832 42.050 -3.218 18221
2594 1 5 . 1 1 98 98 PHE H H 89 8.000 8.000 8.060 -0.060 18221
2595 1 5 . 1 1 99 99 ALA N N 90 122.834 122.834 125.821 -2.987 18221
2596 1 5 . 1 1 99 99 ALA C C 90 178.348 178.348 175.787 2.561 18221
2597 1 5 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.407 2.870 18221
2598 1 5 . 1 1 99 99 ALA CB C 90 17.414 17.414 20.179 -2.765 18221
2599 1 5 . 1 1 99 99 ALA H H 90 8.322 8.322 8.552 -0.230 18221
2600 1 5 . 1 1 100 100 GLY N N 91 106.688 106.688 111.068 -4.380 18221
2601 1 5 . 1 1 100 100 GLY C C 91 175.878 175.878 173.695 2.183 18221
2602 1 5 . 1 1 100 100 GLY CA C 91 45.626 45.626 46.039 -0.413 18221
2603 1 5 . 1 1 100 100 GLY H H 91 8.000 8.000 8.582 -0.582 18221
2604 1 5 . 1 1 101 101 THR N N 92 115.689 115.689 119.756 -4.067 18221
2605 1 5 . 1 1 101 101 THR C C 92 178.476 178.476 172.911 5.565 18221
2606 1 5 . 1 1 101 101 THR CA C 92 63.364 63.364 62.624 0.739 18221
2607 1 5 . 1 1 101 101 THR CB C 92 69.619 69.619 67.830 1.789 18221
2608 1 5 . 1 1 101 101 THR H H 92 7.754 7.754 8.242 -0.488 18221
2609 1 5 . 1 1 102 102 ALA N N 93 124.835 124.835 128.349 -3.514 18221
2610 1 5 . 1 1 102 102 ALA CA C 93 54.311 54.311 52.547 1.764 18221
2611 1 5 . 1 1 102 102 ALA CB C 93 17.679 17.679 20.443 -2.764 18221
2612 1 5 . 1 1 102 102 ALA H H 93 7.919 7.919 8.051 -0.132 18221
2613 1 5 . 1 1 103 103 LEU N N 94 117.445 117.445 124.048 -6.603 18221
2614 1 5 . 1 1 103 103 LEU CA C 94 56.782 56.782 55.875 0.907 18221
2615 1 5 . 1 1 103 103 LEU CB C 94 40.902 40.902 43.068 -2.166 18221
2616 1 5 . 1 1 103 103 LEU H H 94 8.037 8.037 8.865 -0.828 18221
2617 1 5 . 1 1 104 104 GLY N N 95 106.296 106.296 115.507 -9.211 18221
2618 1 5 . 1 1 104 104 GLY C C 95 175.851 175.851 172.884 2.967 18221
2619 1 5 . 1 1 104 104 GLY CA C 95 46.570 46.570 46.068 0.502 18221
2620 1 5 . 1 1 104 104 GLY H H 95 7.900 7.900 8.630 -0.730 18221
2621 1 5 . 1 1 105 105 ALA N N 96 123.872 123.872 121.665 2.207 18221
2622 1 5 . 1 1 105 105 ALA CA C 96 54.126 54.126 51.889 2.236 18221
2623 1 5 . 1 1 105 105 ALA CB C 96 17.587 17.587 18.697 -1.110 18221
2624 1 5 . 1 1 105 105 ALA H H 96 7.804 7.804 7.661 0.143 18221
2625 1 5 . 1 1 106 106 TRP N N 97 120.348 120.348 121.842 -1.494 18221
2626 1 5 . 1 1 106 106 TRP C C 97 176.857 176.857 176.395 0.462 18221
2627 1 5 . 1 1 106 106 TRP CA C 97 56.900 56.900 57.775 -0.875 18221
2628 1 5 . 1 1 106 106 TRP H H 97 8.385 8.385 8.526 -0.141 18221
2629 1 5 . 1 1 107 107 LEU N N 98 117.756 117.756 117.184 0.572 18221
2630 1 5 . 1 1 107 107 LEU C C 98 177.659 177.659 174.964 2.695 18221
2631 1 5 . 1 1 107 107 LEU CA C 98 55.103 55.103 54.210 0.893 18221
2632 1 5 . 1 1 107 107 LEU CB C 98 41.418 41.418 43.849 -2.431 18221
2633 1 5 . 1 1 107 107 LEU H H 98 7.880 7.880 7.534 0.346 18221
2634 1 5 . 1 1 108 108 GLY N N 99 107.285 107.285 110.258 -2.973 18221
2635 1 5 . 1 1 108 108 GLY C C 99 173.815 173.815 174.067 -0.252 18221
2636 1 5 . 1 1 108 108 GLY CA C 99 44.947 44.947 45.716 -0.769 18221
2637 1 5 . 1 1 108 108 GLY H H 99 7.694 7.694 8.377 -0.683 18221
2638 1 5 . 1 1 109 109 SER N N 100 117.139 117.139 119.403 -2.264 18221
2639 1 5 . 1 1 109 109 SER C C 100 172.179 172.179 172.989 -0.810 18221
2640 1 5 . 1 1 109 109 SER CA C 100 56.015 56.015 56.673 -0.658 18221
2641 1 5 . 1 1 109 109 SER CB C 100 62.771 62.771 64.552 -1.780 18221
2642 1 5 . 1 1 109 109 SER H H 100 8.030 8.030 8.332 -0.302 18221
2643 1 5 . 1 1 111 111 PRO C C 102 177.073 177.073 177.106 -0.033 18221
2644 1 5 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.972 -1.773 18221
2645 1 5 . 1 1 111 111 PRO CB C 102 31.211 31.211 31.973 -0.762 18221
2646 1 5 . 1 1 112 112 SER N N 103 117.115 117.115 114.611 2.504 18221
2647 1 5 . 1 1 112 112 SER C C 103 173.898 173.898 175.114 -1.216 18221
2648 1 5 . 1 1 112 112 SER CA C 103 57.904 57.904 58.149 -0.245 18221
2649 1 5 . 1 1 112 112 SER CB C 103 63.360 63.360 64.216 -0.856 18221
2650 1 5 . 1 1 112 112 SER H H 103 8.345 8.345 7.928 0.417 18221
2651 1 6 . 1 1 11 11 GLY N N 2 109.366 109.366 108.622 0.744 18221
2652 1 6 . 1 1 11 11 GLY C C 2 174.543 174.543 174.694 -0.151 18221
2653 1 6 . 1 1 11 11 GLY CA C 2 45.695 45.695 44.787 0.908 18221
2654 1 6 . 1 1 11 11 GLY H H 2 8.271 8.271 8.519 -0.248 18221
2655 1 6 . 1 1 12 12 LYS N N 3 121.129 121.129 120.730 0.399 18221
2656 1 6 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.317 -0.185 18221
2657 1 6 . 1 1 12 12 LYS C C 3 177.234 177.234 176.326 0.908 18221
2658 1 6 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.820 -0.008 18221
2659 1 6 . 1 1 12 12 LYS CB C 3 31.846 31.846 32.809 -0.963 18221
2660 1 6 . 1 1 12 12 LYS H H 3 8.057 8.057 8.550 -0.493 18221
2661 1 6 . 1 1 13 13 GLU N N 4 120.318 120.318 119.510 0.808 18221
2662 1 6 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.399 -0.244 18221
2663 1 6 . 1 1 13 13 GLU C C 4 176.857 176.857 174.809 2.048 18221
2664 1 6 . 1 1 13 13 GLU CA C 4 56.871 56.871 56.600 0.271 18221
2665 1 6 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.374 -1.986 18221
2666 1 6 . 1 1 13 13 GLU H H 4 8.398 8.398 7.895 0.503 18221
2667 1 6 . 1 1 14 14 SER N N 5 115.504 115.504 117.006 -1.502 18221
2668 1 6 . 1 1 14 14 SER HA H 5 3.843 3.843 4.620 -0.777 18221
2669 1 6 . 1 1 14 14 SER C C 5 175.337 175.337 174.764 0.573 18221
2670 1 6 . 1 1 14 14 SER CA C 5 58.524 58.524 58.546 -0.022 18221
2671 1 6 . 1 1 14 14 SER CB C 5 63.360 63.360 64.311 -0.951 18221
2672 1 6 . 1 1 14 14 SER H H 5 8.089 8.089 8.721 -0.632 18221
2673 1 6 . 1 1 15 15 GLY N N 6 110.761 110.761 114.076 -3.315 18221
2674 1 6 . 1 1 15 15 GLY C C 6 174.581 174.581 173.989 0.592 18221
2675 1 6 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.023 0.543 18221
2676 1 6 . 1 1 15 15 GLY H H 6 8.197 8.197 8.612 -0.415 18221
2677 1 6 . 1 1 16 16 TRP N N 7 121.800 121.800 124.086 -2.286 18221
2678 1 6 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.305 0.255 18221
2679 1 6 . 1 1 16 16 TRP C C 7 176.920 176.920 175.170 1.750 18221
2680 1 6 . 1 1 16 16 TRP CA C 7 58.081 58.081 56.900 1.181 18221
2681 1 6 . 1 1 16 16 TRP CB C 7 28.679 28.679 28.703 -0.024 18221
2682 1 6 . 1 1 16 16 TRP H H 7 8.184 8.184 8.285 -0.101 18221
2683 1 6 . 1 1 17 17 ASP N N 8 121.132 121.132 124.256 -3.124 18221
2684 1 6 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.478 -0.083 18221
2685 1 6 . 1 1 17 17 ASP C C 8 176.941 176.941 175.925 1.016 18221
2686 1 6 . 1 1 17 17 ASP CA C 8 56.244 56.244 55.827 0.417 18221
2687 1 6 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.623 -1.678 18221
2688 1 6 . 1 1 17 17 ASP H H 8 8.332 8.332 8.379 -0.047 18221
2689 1 6 . 1 1 18 18 SER N N 9 116.148 116.148 119.757 -3.609 18221
2690 1 6 . 1 1 18 18 SER HA H 9 3.861 3.861 4.478 -0.617 18221
2691 1 6 . 1 1 18 18 SER CA C 9 60.081 60.081 58.306 1.775 18221
2692 1 6 . 1 1 18 18 SER CB C 9 62.255 62.255 64.433 -2.178 18221
2693 1 6 . 1 1 18 18 SER H H 9 8.129 8.129 8.561 -0.432 18221
2694 1 6 . 1 1 19 19 GLY N N 10 110.747 110.747 112.322 -1.575 18221
2695 1 6 . 1 1 19 19 GLY C C 10 174.682 174.682 175.224 -0.542 18221
2696 1 6 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.106 1.494 18221
2697 1 6 . 1 1 19 19 GLY H H 10 8.216 8.216 8.445 -0.229 18221
2698 1 6 . 1 1 20 20 ARG N N 11 121.405 121.405 122.396 -0.991 18221
2699 1 6 . 1 1 20 20 ARG HA H 11 3.857 3.857 3.888 -0.031 18221
2700 1 6 . 1 1 20 20 ARG C C 11 178.328 178.328 178.488 -0.160 18221
2701 1 6 . 1 1 20 20 ARG CA C 11 59.085 59.085 59.306 -0.221 18221
2702 1 6 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.122 -1.075 18221
2703 1 6 . 1 1 20 20 ARG H H 11 8.158 8.158 8.726 -0.568 18221
2704 1 6 . 1 1 21 21 ALA N N 12 122.167 122.167 121.389 0.778 18221
2705 1 6 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.001 0.099 18221
2706 1 6 . 1 1 21 21 ALA C C 12 180.129 180.129 179.402 0.727 18221
2707 1 6 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.607 -0.215 18221
2708 1 6 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.981 -0.567 18221
2709 1 6 . 1 1 21 21 ALA H H 12 7.963 7.963 7.927 0.036 18221
2710 1 6 . 1 1 22 22 ALA N N 13 122.150 122.150 121.773 0.377 18221
2711 1 6 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.946 0.091 18221
2712 1 6 . 1 1 22 22 ALA C C 13 179.095 179.095 179.700 -0.605 18221
2713 1 6 . 1 1 22 22 ALA CA C 13 54.716 54.716 55.157 -0.441 18221
2714 1 6 . 1 1 22 22 ALA CB C 13 17.561 17.561 17.935 -0.374 18221
2715 1 6 . 1 1 22 22 ALA H H 13 7.881 7.881 8.626 -0.745 18221
2716 1 6 . 1 1 23 23 VAL N N 14 117.107 117.107 118.545 -1.438 18221
2717 1 6 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.529 -0.049 18221
2718 1 6 . 1 1 23 23 VAL C C 14 177.586 177.586 178.033 -0.447 18221
2719 1 6 . 1 1 23 23 VAL CA C 14 66.198 66.198 66.164 0.034 18221
2720 1 6 . 1 1 23 23 VAL CB C 14 30.520 30.520 31.243 -0.723 18221
2721 1 6 . 1 1 23 23 VAL H H 14 7.888 7.888 8.235 -0.347 18221
2722 1 6 . 1 1 24 24 ALA N N 15 121.333 121.333 121.892 -0.559 18221
2723 1 6 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.977 0.004 18221
2724 1 6 . 1 1 24 24 ALA C C 15 180.373 180.373 179.298 1.075 18221
2725 1 6 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.174 -0.163 18221
2726 1 6 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.818 -0.566 18221
2727 1 6 . 1 1 24 24 ALA H H 15 8.037 8.037 7.675 0.362 18221
2728 1 6 . 1 1 25 25 ALA N N 16 121.158 121.158 119.320 1.838 18221
2729 1 6 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.182 -0.036 18221
2730 1 6 . 1 1 25 25 ALA C C 16 179.828 179.828 178.793 1.035 18221
2731 1 6 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.611 -0.160 18221
2732 1 6 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.416 -0.929 18221
2733 1 6 . 1 1 25 25 ALA H H 16 7.819 7.819 7.880 -0.061 18221
2734 1 6 . 1 1 26 26 VAL N N 17 118.417 118.417 115.989 2.428 18221
2735 1 6 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.849 -0.071 18221
2736 1 6 . 1 1 26 26 VAL C C 17 178.020 178.020 176.732 1.288 18221
2737 1 6 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.887 1.691 18221
2738 1 6 . 1 1 26 26 VAL CB C 17 31.085 31.085 32.066 -0.981 18221
2739 1 6 . 1 1 26 26 VAL H H 17 7.848 7.848 7.368 0.480 18221
2740 1 6 . 1 1 27 27 VAL N N 18 119.240 119.240 119.635 -0.395 18221
2741 1 6 . 1 1 27 27 VAL C C 18 177.719 177.719 176.895 0.824 18221
2742 1 6 . 1 1 27 27 VAL CA C 18 65.991 65.991 63.674 2.317 18221
2743 1 6 . 1 1 27 27 VAL CB C 18 30.187 30.187 31.892 -1.705 18221
2744 1 6 . 1 1 27 27 VAL H H 18 8.377 8.377 7.437 0.940 18221
2745 1 6 . 1 1 28 28 GLY N N 19 106.009 106.009 106.602 -0.593 18221
2746 1 6 . 1 1 28 28 GLY C C 19 176.212 176.212 174.485 1.727 18221
2747 1 6 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.831 -0.588 18221
2748 1 6 . 1 1 28 28 GLY H H 19 8.122 8.122 8.075 0.047 18221
2749 1 6 . 1 1 29 29 GLY N N 20 110.216 110.216 113.529 -3.313 18221
2750 1 6 . 1 1 29 29 GLY C C 20 174.097 174.097 175.069 -0.972 18221
2751 1 6 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.582 1.752 18221
2752 1 6 . 1 1 29 29 GLY H H 20 8.039 8.039 7.731 0.308 18221
2753 1 6 . 1 1 30 30 VAL N N 21 121.188 121.188 121.509 -0.321 18221
2754 1 6 . 1 1 30 30 VAL C C 21 177.073 177.073 177.194 -0.121 18221
2755 1 6 . 1 1 30 30 VAL CA C 21 62.574 62.574 66.182 -3.608 18221
2756 1 6 . 1 1 30 30 VAL CB C 21 30.790 30.790 32.236 -1.446 18221
2757 1 6 . 1 1 30 30 VAL H H 21 7.983 7.983 7.824 0.160 18221
2758 1 6 . 1 1 32 32 ALA N N 23 125.091 125.091 121.509 3.582 18221
2759 1 6 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.006 0.254 18221
2760 1 6 . 1 1 32 32 ALA C C 23 179.523 179.523 179.878 -0.355 18221
2761 1 6 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.177 -1.494 18221
2762 1 6 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.031 -1.648 18221
2763 1 6 . 1 1 32 32 ALA H H 23 8.036 8.036 8.046 -0.011 18221
2764 1 6 . 1 1 33 33 VAL N N 24 118.793 118.793 117.516 1.277 18221
2765 1 6 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.732 -0.024 18221
2766 1 6 . 1 1 33 33 VAL C C 24 177.901 177.901 178.365 -0.464 18221
2767 1 6 . 1 1 33 33 VAL CA C 24 65.430 65.430 65.518 -0.088 18221
2768 1 6 . 1 1 33 33 VAL CB C 24 31.318 31.318 30.753 0.565 18221
2769 1 6 . 1 1 33 33 VAL H H 24 8.195 8.195 8.150 0.045 18221
2770 1 6 . 1 1 34 34 GLY N N 25 108.367 108.367 109.135 -0.768 18221
2771 1 6 . 1 1 34 34 GLY C C 25 175.424 175.424 175.981 -0.557 18221
2772 1 6 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.616 -0.282 18221
2773 1 6 . 1 1 34 34 GLY H H 25 8.651 8.651 8.471 0.180 18221
2774 1 6 . 1 1 35 35 THR N N 26 116.448 116.448 119.422 -2.974 18221
2775 1 6 . 1 1 35 35 THR C C 26 176.843 176.843 177.007 -0.164 18221
2776 1 6 . 1 1 35 35 THR CA C 26 65.962 65.962 66.928 -0.966 18221
2777 1 6 . 1 1 35 35 THR CB C 26 68.414 68.414 68.599 -0.185 18221
2778 1 6 . 1 1 35 35 THR H H 26 7.975 7.975 8.164 -0.189 18221
2779 1 6 . 1 1 36 36 VAL N N 27 122.810 122.810 121.743 1.067 18221
2780 1 6 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.589 0.130 18221
2781 1 6 . 1 1 36 36 VAL C C 27 177.618 177.618 177.532 0.086 18221
2782 1 6 . 1 1 36 36 VAL CA C 27 65.726 65.726 67.025 -1.299 18221
2783 1 6 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.583 -0.916 18221
2784 1 6 . 1 1 36 36 VAL H H 27 7.559 7.559 8.053 -0.494 18221
2785 1 6 . 1 1 37 37 LEU N N 28 119.566 119.566 120.489 -0.923 18221
2786 1 6 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.936 0.017 18221
2787 1 6 . 1 1 37 37 LEU C C 28 179.666 179.666 179.043 0.623 18221
2788 1 6 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.124 -0.279 18221
2789 1 6 . 1 1 37 37 LEU CB C 28 40.166 40.166 40.829 -0.663 18221
2790 1 6 . 1 1 37 37 LEU H H 28 8.086 8.086 7.742 0.344 18221
2791 1 6 . 1 1 38 38 VAL N N 29 119.468 119.468 117.997 1.471 18221
2792 1 6 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.469 0.184 18221
2793 1 6 . 1 1 38 38 VAL C C 29 178.639 178.639 178.015 0.624 18221
2794 1 6 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.655 -1.182 18221
2795 1 6 . 1 1 38 38 VAL CB C 29 30.609 30.609 30.957 -0.348 18221
2796 1 6 . 1 1 38 38 VAL H H 29 8.066 8.066 8.508 -0.442 18221
2797 1 6 . 1 1 39 39 ALA N N 30 124.255 124.255 122.062 2.193 18221
2798 1 6 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.013 0.152 18221
2799 1 6 . 1 1 39 39 ALA C C 30 180.303 180.303 179.588 0.715 18221
2800 1 6 . 1 1 39 39 ALA CA C 30 54.834 54.834 54.837 -0.003 18221
2801 1 6 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.510 -0.802 18221
2802 1 6 . 1 1 39 39 ALA H H 30 7.688 7.688 7.739 -0.051 18221
2803 1 6 . 1 1 40 40 LEU N N 31 118.268 118.268 119.271 -1.003 18221
2804 1 6 . 1 1 40 40 LEU HA H 31 4.141 4.141 3.902 0.239 18221
2805 1 6 . 1 1 40 40 LEU C C 31 179.271 179.271 180.079 -0.808 18221
2806 1 6 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.697 -0.619 18221
2807 1 6 . 1 1 40 40 LEU CB C 31 40.902 40.902 41.635 -0.733 18221
2808 1 6 . 1 1 40 40 LEU H H 31 8.326 8.326 8.233 0.093 18221
2809 1 6 . 1 1 41 41 SER N N 32 114.984 114.984 114.940 0.044 18221
2810 1 6 . 1 1 41 41 SER HA H 32 3.952 3.952 4.180 -0.228 18221
2811 1 6 . 1 1 41 41 SER C C 32 176.284 176.284 175.969 0.315 18221
2812 1 6 . 1 1 41 41 SER CA C 32 60.885 60.885 61.066 -0.182 18221
2813 1 6 . 1 1 41 41 SER CB C 32 62.410 62.410 63.179 -0.769 18221
2814 1 6 . 1 1 41 41 SER H H 32 8.062 8.062 8.416 -0.354 18221
2815 1 6 . 1 1 42 42 ALA N N 33 124.588 124.588 123.641 0.947 18221
2816 1 6 . 1 1 42 42 ALA HA H 33 4.225 4.225 3.970 0.255 18221
2817 1 6 . 1 1 42 42 ALA C C 33 179.033 179.033 176.963 2.070 18221
2818 1 6 . 1 1 42 42 ALA CA C 33 53.713 53.713 51.144 2.569 18221
2819 1 6 . 1 1 42 42 ALA CB C 33 17.929 17.929 17.347 0.582 18221
2820 1 6 . 1 1 42 42 ALA H H 33 7.813 7.813 7.890 -0.077 18221
2821 1 6 . 1 1 43 43 MET N N 34 116.808 116.808 119.587 -2.779 18221
2822 1 6 . 1 1 43 43 MET HA H 34 4.285 4.285 4.362 -0.077 18221
2823 1 6 . 1 1 43 43 MET C C 34 176.807 176.807 177.277 -0.470 18221
2824 1 6 . 1 1 43 43 MET CA C 34 56.576 56.576 57.016 -0.440 18221
2825 1 6 . 1 1 43 43 MET CB C 34 32.435 32.435 33.369 -0.934 18221
2826 1 6 . 1 1 43 43 MET H H 34 7.691 7.691 8.038 -0.347 18221
2827 1 6 . 1 1 44 44 GLY N N 35 107.020 107.020 106.891 0.129 18221
2828 1 6 . 1 1 44 44 GLY C C 35 174.493 174.493 173.475 1.018 18221
2829 1 6 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.081 -0.016 18221
2830 1 6 . 1 1 44 44 GLY H H 35 7.793 7.793 8.389 -0.596 18221
2831 1 6 . 1 1 45 45 PHE N N 36 120.285 120.285 117.216 3.069 18221
2832 1 6 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.713 -0.206 18221
2833 1 6 . 1 1 45 45 PHE C C 36 176.876 176.876 174.841 2.035 18221
2834 1 6 . 1 1 45 45 PHE CA C 36 58.937 58.937 55.400 3.537 18221
2835 1 6 . 1 1 45 45 PHE CB C 36 38.178 38.178 38.197 -0.019 18221
2836 1 6 . 1 1 45 45 PHE H H 36 8.215 8.215 7.587 0.628 18221
2837 1 6 . 1 1 46 46 THR N N 37 114.008 114.008 115.361 -1.353 18221
2838 1 6 . 1 1 46 46 THR HA H 37 4.080 4.080 3.844 0.236 18221
2839 1 6 . 1 1 46 46 THR C C 37 175.751 175.751 174.099 1.652 18221
2840 1 6 . 1 1 46 46 THR CA C 37 64.220 64.220 63.027 1.193 18221
2841 1 6 . 1 1 46 46 THR CB C 37 68.514 68.514 69.219 -0.705 18221
2842 1 6 . 1 1 46 46 THR H H 37 8.111 8.111 8.093 0.018 18221
2843 1 6 . 1 1 47 47 SER N N 38 116.646 116.646 112.507 4.139 18221
2844 1 6 . 1 1 47 47 SER HA H 38 3.918 3.918 4.273 -0.355 18221
2845 1 6 . 1 1 47 47 SER C C 38 176.744 176.744 175.278 1.466 18221
2846 1 6 . 1 1 47 47 SER CA C 38 59.911 59.911 59.696 0.215 18221
2847 1 6 . 1 1 47 47 SER CB C 38 62.624 62.624 63.467 -0.843 18221
2848 1 6 . 1 1 47 47 SER H H 38 8.079 8.079 8.334 -0.255 18221
2849 1 6 . 1 1 48 48 VAL N N 39 121.929 121.929 121.606 0.323 18221
2850 1 6 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.768 0.141 18221
2851 1 6 . 1 1 48 48 VAL C C 39 177.033 177.033 177.560 -0.527 18221
2852 1 6 . 1 1 48 48 VAL CA C 39 64.988 64.988 66.102 -1.114 18221
2853 1 6 . 1 1 48 48 VAL CB C 39 30.667 30.667 30.701 -0.034 18221
2854 1 6 . 1 1 48 48 VAL H H 39 7.985 7.985 7.777 0.208 18221
2855 1 6 . 1 1 49 49 GLY N N 40 108.633 108.633 108.274 0.359 18221
2856 1 6 . 1 1 49 49 GLY C C 40 176.038 176.038 176.174 -0.136 18221
2857 1 6 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.475 -0.610 18221
2858 1 6 . 1 1 49 49 GLY H H 40 8.267 8.267 8.496 -0.229 18221
2859 1 6 . 1 1 50 50 ILE N N 41 122.466 122.466 121.999 0.467 18221
2860 1 6 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.641 0.230 18221
2861 1 6 . 1 1 50 50 ILE C C 41 178.363 178.363 177.134 1.229 18221
2862 1 6 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.306 -0.791 18221
2863 1 6 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.916 -0.678 18221
2864 1 6 . 1 1 50 50 ILE H H 41 7.865 7.865 7.692 0.173 18221
2865 1 6 . 1 1 51 51 ALA N N 42 125.064 125.064 121.830 3.234 18221
2866 1 6 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.868 0.231 18221
2867 1 6 . 1 1 51 51 ALA C C 42 179.385 179.385 178.990 0.395 18221
2868 1 6 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.181 -0.702 18221
2869 1 6 . 1 1 51 51 ALA CB C 42 17.487 17.487 18.106 -0.619 18221
2870 1 6 . 1 1 51 51 ALA H H 42 7.930 7.930 8.178 -0.248 18221
2871 1 6 . 1 1 52 52 ALA N N 43 120.594 120.594 120.105 0.489 18221
2872 1 6 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.020 -0.083 18221
2873 1 6 . 1 1 52 52 ALA C C 43 179.088 179.088 179.982 -0.894 18221
2874 1 6 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.846 0.253 18221
2875 1 6 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.046 -0.411 18221
2876 1 6 . 1 1 52 52 ALA H H 43 8.639 8.639 8.415 0.224 18221
2877 1 6 . 1 1 53 53 SER N N 44 113.012 113.012 114.960 -1.948 18221
2878 1 6 . 1 1 53 53 SER HA H 44 3.966 3.966 4.193 -0.227 18221
2879 1 6 . 1 1 53 53 SER C C 44 176.898 176.898 176.908 -0.010 18221
2880 1 6 . 1 1 53 53 SER CA C 44 61.139 61.139 61.974 -0.835 18221
2881 1 6 . 1 1 53 53 SER CB C 44 62.347 62.347 63.209 -0.862 18221
2882 1 6 . 1 1 53 53 SER H H 44 8.193 8.193 8.242 -0.049 18221
2883 1 6 . 1 1 54 54 SER N N 45 118.714 118.714 118.367 0.347 18221
2884 1 6 . 1 1 54 54 SER HA H 45 3.975 3.975 4.116 -0.141 18221
2885 1 6 . 1 1 54 54 SER C C 45 177.131 177.131 176.661 0.470 18221
2886 1 6 . 1 1 54 54 SER CA C 45 61.210 61.210 62.207 -0.997 18221
2887 1 6 . 1 1 54 54 SER CB C 45 62.255 62.255 62.906 -0.651 18221
2888 1 6 . 1 1 54 54 SER H H 45 7.944 7.944 8.074 -0.130 18221
2889 1 6 . 1 1 55 55 ILE N N 46 122.912 122.912 120.513 2.399 18221
2890 1 6 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.616 0.141 18221
2891 1 6 . 1 1 55 55 ILE C C 46 177.813 177.813 176.681 1.132 18221
2892 1 6 . 1 1 55 55 ILE CA C 46 64.191 64.191 65.349 -1.158 18221
2893 1 6 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.841 -0.915 18221
2894 1 6 . 1 1 55 55 ILE H H 46 8.028 8.028 8.157 -0.129 18221
2895 1 6 . 1 1 56 56 ALA N N 47 122.990 122.990 120.620 2.370 18221
2896 1 6 . 1 1 56 56 ALA HA H 47 3.956 3.956 3.987 -0.031 18221
2897 1 6 . 1 1 56 56 ALA C C 47 180.294 180.294 178.843 1.451 18221
2898 1 6 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.544 -0.206 18221
2899 1 6 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.761 -1.059 18221
2900 1 6 . 1 1 56 56 ALA H H 47 8.333 8.333 7.610 0.723 18221
2901 1 6 . 1 1 57 57 ALA N N 48 121.988 121.988 121.953 0.035 18221
2902 1 6 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.051 0.017 18221
2903 1 6 . 1 1 57 57 ALA CA C 48 54.421 54.421 52.762 1.659 18221
2904 1 6 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.334 -1.632 18221
2905 1 6 . 1 1 57 57 ALA H H 48 7.879 7.879 8.020 -0.141 18221
2906 1 6 . 1 1 58 58 LYS N N 49 119.094 119.094 119.013 0.081 18221
2907 1 6 . 1 1 58 58 LYS HA H 49 4.146 4.146 4.112 0.034 18221
2908 1 6 . 1 1 58 58 LYS C C 49 179.649 179.649 175.801 3.848 18221
2909 1 6 . 1 1 58 58 LYS CA C 49 57.157 57.157 57.134 0.023 18221
2910 1 6 . 1 1 58 58 LYS CB C 49 31.330 31.330 32.914 -1.584 18221
2911 1 6 . 1 1 58 58 LYS H H 49 7.727 7.727 8.169 -0.442 18221
2912 1 6 . 1 1 59 59 MET N N 50 120.498 120.498 124.701 -4.203 18221
2913 1 6 . 1 1 59 59 MET HA H 50 4.156 4.156 4.617 -0.461 18221
2914 1 6 . 1 1 59 59 MET C C 50 177.949 177.949 175.702 2.247 18221
2915 1 6 . 1 1 59 59 MET CA C 50 57.136 57.136 55.036 2.100 18221
2916 1 6 . 1 1 59 59 MET CB C 50 31.922 31.922 34.107 -2.185 18221
2917 1 6 . 1 1 59 59 MET H H 50 8.395 8.395 8.788 -0.393 18221
2918 1 6 . 1 1 60 60 MET N N 51 117.689 117.689 124.520 -6.831 18221
2919 1 6 . 1 1 60 60 MET HA H 51 4.222 4.222 4.153 0.069 18221
2920 1 6 . 1 1 60 60 MET C C 51 177.674 177.674 174.831 2.843 18221
2921 1 6 . 1 1 60 60 MET CA C 51 57.638 57.638 56.401 1.236 18221
2922 1 6 . 1 1 60 60 MET CB C 51 31.785 31.785 32.063 -0.278 18221
2923 1 6 . 1 1 60 60 MET H H 51 8.234 8.234 8.422 -0.188 18221
2924 1 6 . 1 1 61 61 SER N N 52 114.385 114.385 117.707 -3.322 18221
2925 1 6 . 1 1 61 61 SER HA H 52 4.001 4.001 4.966 -0.965 18221
2926 1 6 . 1 1 61 61 SER C C 52 176.079 176.079 173.021 3.058 18221
2927 1 6 . 1 1 61 61 SER CA C 52 59.911 59.911 57.507 2.404 18221
2928 1 6 . 1 1 61 61 SER CB C 52 62.624 62.624 65.841 -3.217 18221
2929 1 6 . 1 1 61 61 SER H H 52 7.893 7.893 8.359 -0.466 18221
2930 1 6 . 1 1 62 62 THR N N 53 117.304 117.304 112.463 4.841 18221
2931 1 6 . 1 1 62 62 THR HA H 53 4.104 4.104 4.629 -0.525 18221
2932 1 6 . 1 1 62 62 THR C C 53 175.436 175.436 173.325 2.111 18221
2933 1 6 . 1 1 62 62 THR CA C 53 64.220 64.220 62.786 1.434 18221
2934 1 6 . 1 1 62 62 THR CB C 53 68.514 68.514 69.082 -0.568 18221
2935 1 6 . 1 1 62 62 THR H H 53 7.794 7.794 8.368 -0.574 18221
2936 1 6 . 1 1 63 63 ALA N N 54 125.382 125.382 125.178 0.204 18221
2937 1 6 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.368 -0.274 18221
2938 1 6 . 1 1 63 63 ALA C C 54 178.328 178.328 175.664 2.664 18221
2939 1 6 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.471 1.625 18221
2940 1 6 . 1 1 63 63 ALA CB C 54 17.708 17.708 19.148 -1.440 18221
2941 1 6 . 1 1 63 63 ALA H H 54 8.204 8.204 8.255 -0.051 18221
2942 1 6 . 1 1 64 64 ALA N N 55 119.929 119.929 123.470 -3.541 18221
2943 1 6 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.530 -0.405 18221
2944 1 6 . 1 1 64 64 ALA C C 55 179.183 179.183 175.554 3.629 18221
2945 1 6 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.733 1.304 18221
2946 1 6 . 1 1 64 64 ALA CB C 55 17.708 17.708 20.198 -2.490 18221
2947 1 6 . 1 1 64 64 ALA H H 55 7.951 7.951 7.719 0.232 18221
2948 1 6 . 1 1 65 65 ILE N N 56 117.016 117.016 120.372 -3.356 18221
2949 1 6 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.297 -0.347 18221
2950 1 6 . 1 1 65 65 ILE C C 56 177.222 177.222 175.537 1.685 18221
2951 1 6 . 1 1 65 65 ILE CA C 56 62.184 62.184 62.077 0.107 18221
2952 1 6 . 1 1 65 65 ILE CB C 56 37.073 37.073 39.625 -2.552 18221
2953 1 6 . 1 1 65 65 ILE H H 56 7.561 7.561 8.662 -1.101 18221
2954 1 6 . 1 1 66 66 ALA N N 57 124.191 124.191 122.639 1.552 18221
2955 1 6 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.308 -0.131 18221
2956 1 6 . 1 1 66 66 ALA C C 57 178.190 178.190 175.894 2.296 18221
2957 1 6 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.108 1.428 18221
2958 1 6 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.140 -1.210 18221
2959 1 6 . 1 1 66 66 ALA H H 57 7.982 7.982 7.904 0.078 18221
2960 1 6 . 1 1 67 67 ASN N N 58 116.132 116.132 118.008 -1.876 18221
2961 1 6 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.449 0.224 18221
2962 1 6 . 1 1 67 67 ASN C C 58 176.344 176.344 175.343 1.001 18221
2963 1 6 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.567 -0.090 18221
2964 1 6 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.469 0.003 18221
2965 1 6 . 1 1 67 67 ASN H H 58 8.113 8.113 8.551 -0.438 18221
2966 1 6 . 1 1 68 68 GLY N N 59 108.808 108.808 109.815 -1.007 18221
2967 1 6 . 1 1 68 68 GLY C C 59 174.958 174.958 173.432 1.526 18221
2968 1 6 . 1 1 68 68 GLY CA C 59 45.655 45.655 44.702 0.953 18221
2969 1 6 . 1 1 68 68 GLY H H 59 8.152 8.152 8.246 -0.094 18221
2970 1 6 . 1 1 69 69 GLY N N 60 108.832 108.832 110.707 -1.875 18221
2971 1 6 . 1 1 69 69 GLY C C 60 174.631 174.631 174.956 -0.325 18221
2972 1 6 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.406 1.014 18221
2973 1 6 . 1 1 69 69 GLY H H 60 8.218 8.218 8.243 -0.025 18221
2974 1 6 . 1 1 70 70 GLY N N 61 108.966 108.966 110.588 -1.622 18221
2975 1 6 . 1 1 70 70 GLY C C 61 174.594 174.594 174.366 0.228 18221
2976 1 6 . 1 1 70 70 GLY CA C 61 45.360 45.360 46.611 -1.250 18221
2977 1 6 . 1 1 70 70 GLY H H 61 8.175 8.175 8.387 -0.212 18221
2978 1 6 . 1 1 71 71 VAL N N 62 120.209 120.209 119.490 0.719 18221
2979 1 6 . 1 1 71 71 VAL HA H 62 4.006 4.006 4.061 -0.055 18221
2980 1 6 . 1 1 71 71 VAL C C 62 176.077 176.077 176.873 -0.796 18221
2981 1 6 . 1 1 71 71 VAL CA C 62 62.390 62.390 63.600 -1.210 18221
2982 1 6 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.412 -0.714 18221
2983 1 6 . 1 1 71 71 VAL H H 62 7.882 7.882 8.059 -0.177 18221
2984 1 6 . 1 1 72 72 ALA N N 63 126.966 126.966 122.880 4.086 18221
2985 1 6 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.303 -0.277 18221
2986 1 6 . 1 1 72 72 ALA C C 63 178.064 178.064 177.221 0.843 18221
2987 1 6 . 1 1 72 72 ALA CA C 63 52.503 52.503 53.866 -1.363 18221
2988 1 6 . 1 1 72 72 ALA CB C 63 18.225 18.225 19.185 -0.960 18221
2989 1 6 . 1 1 72 72 ALA H H 63 8.237 8.237 8.017 0.220 18221
2990 1 6 . 1 1 73 73 ALA N N 64 123.432 123.432 118.091 5.341 18221
2991 1 6 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.309 -0.294 18221
2992 1 6 . 1 1 73 73 ALA C C 64 178.995 178.995 176.743 2.252 18221
2993 1 6 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.536 1.885 18221
2994 1 6 . 1 1 73 73 ALA CB C 64 18.003 18.003 19.017 -1.014 18221
2995 1 6 . 1 1 73 73 ALA H H 64 8.421 8.421 7.921 0.500 18221
2996 1 6 . 1 1 74 74 GLY N N 65 105.577 105.577 106.261 -0.684 18221
2997 1 6 . 1 1 74 74 GLY C C 65 176.367 176.367 175.320 1.047 18221
2998 1 6 . 1 1 74 74 GLY CA C 65 46.244 46.244 45.492 0.752 18221
2999 1 6 . 1 1 74 74 GLY H H 65 8.448 8.448 7.866 0.582 18221
3000 1 6 . 1 1 75 75 SER N N 66 117.656 117.656 117.079 0.577 18221
3001 1 6 . 1 1 75 75 SER HA H 66 4.394 4.394 4.273 0.121 18221
3002 1 6 . 1 1 75 75 SER C C 66 176.329 176.329 176.886 -0.557 18221
3003 1 6 . 1 1 75 75 SER CA C 66 60.236 60.236 60.370 -0.134 18221
3004 1 6 . 1 1 75 75 SER CB C 66 62.476 62.476 63.170 -0.694 18221
3005 1 6 . 1 1 75 75 SER H H 66 7.899 7.899 8.236 -0.337 18221
3006 1 6 . 1 1 76 76 LEU N N 67 122.743 122.743 121.366 1.377 18221
3007 1 6 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.997 0.053 18221
3008 1 6 . 1 1 76 76 LEU C C 67 178.442 178.442 178.110 0.332 18221
3009 1 6 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.721 -0.201 18221
3010 1 6 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.913 -1.232 18221
3011 1 6 . 1 1 76 76 LEU H H 67 7.955 7.955 8.200 -0.245 18221
3012 1 6 . 1 1 77 77 VAL N N 68 118.400 118.400 118.893 -0.493 18221
3013 1 6 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.525 -0.054 18221
3014 1 6 . 1 1 77 77 VAL C C 68 177.297 177.297 177.512 -0.215 18221
3015 1 6 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.741 -0.071 18221
3016 1 6 . 1 1 77 77 VAL CB C 68 30.520 30.520 30.888 -0.368 18221
3017 1 6 . 1 1 77 77 VAL H H 68 8.039 8.039 8.036 0.003 18221
3018 1 6 . 1 1 78 78 ALA N N 69 121.927 121.927 121.829 0.098 18221
3019 1 6 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.319 -0.114 18221
3020 1 6 . 1 1 78 78 ALA C C 69 181.258 181.258 180.003 1.255 18221
3021 1 6 . 1 1 78 78 ALA CA C 69 54.982 54.982 54.935 0.047 18221
3022 1 6 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.201 -0.787 18221
3023 1 6 . 1 1 78 78 ALA H H 69 7.631 7.631 7.959 -0.328 18221
3024 1 6 . 1 1 79 79 ILE N N 70 119.782 119.782 119.047 0.735 18221
3025 1 6 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.731 0.065 18221
3026 1 6 . 1 1 79 79 ILE C C 70 178.253 178.253 177.900 0.353 18221
3027 1 6 . 1 1 79 79 ILE CA C 70 64.352 64.352 64.692 -0.340 18221
3028 1 6 . 1 1 79 79 ILE CB C 70 37.073 37.073 38.037 -0.964 18221
3029 1 6 . 1 1 79 79 ILE H H 70 7.841 7.841 7.422 0.419 18221
3030 1 6 . 1 1 80 80 LEU N N 71 120.841 120.841 121.182 -0.341 18221
3031 1 6 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.817 0.120 18221
3032 1 6 . 1 1 80 80 LEU C C 71 179.234 179.234 178.534 0.700 18221
3033 1 6 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.833 -0.988 18221
3034 1 6 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.831 -1.812 18221
3035 1 6 . 1 1 80 80 LEU H H 71 8.190 8.190 8.140 0.050 18221
3036 1 6 . 1 1 81 81 GLN N N 72 117.558 117.558 117.948 -0.390 18221
3037 1 6 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.884 0.085 18221
3038 1 6 . 1 1 81 81 GLN C C 72 178.530 178.530 178.613 -0.083 18221
3039 1 6 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.451 -0.632 18221
3040 1 6 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.579 -1.299 18221
3041 1 6 . 1 1 81 81 GLN H H 72 8.489 8.489 8.314 0.175 18221
3042 1 6 . 1 1 82 82 SER N N 73 116.103 116.103 115.167 0.936 18221
3043 1 6 . 1 1 82 82 SER HA H 73 4.233 4.233 4.133 0.100 18221
3044 1 6 . 1 1 82 82 SER C C 73 177.243 177.243 176.578 0.665 18221
3045 1 6 . 1 1 82 82 SER CA C 73 61.044 61.044 61.410 -0.366 18221
3046 1 6 . 1 1 82 82 SER CB C 73 62.257 62.257 63.235 -0.978 18221
3047 1 6 . 1 1 82 82 SER H H 73 7.855 7.855 8.081 -0.226 18221
3048 1 6 . 1 1 83 83 VAL N N 74 120.362 120.362 121.592 -1.230 18221
3049 1 6 . 1 1 83 83 VAL C C 74 177.979 177.979 177.364 0.615 18221
3050 1 6 . 1 1 83 83 VAL CA C 74 65.106 65.106 65.091 0.015 18221
3051 1 6 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.383 -0.642 18221
3052 1 6 . 1 1 83 83 VAL H H 74 8.030 8.030 7.986 0.044 18221
3053 1 6 . 1 1 84 84 GLY N N 75 108.223 108.223 106.628 1.595 18221
3054 1 6 . 1 1 84 84 GLY C C 75 174.913 174.913 175.510 -0.597 18221
3055 1 6 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.029 -0.252 18221
3056 1 6 . 1 1 84 84 GLY H H 75 8.369 8.369 7.819 0.550 18221
3057 1 6 . 1 1 85 85 ALA N N 76 123.550 123.550 124.763 -1.213 18221
3058 1 6 . 1 1 85 85 ALA HA H 76 4.094 4.094 3.847 0.247 18221
3059 1 6 . 1 1 85 85 ALA CA C 76 54.598 54.598 55.127 -0.529 18221
3060 1 6 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.450 -0.827 18221
3061 1 6 . 1 1 85 85 ALA H H 76 8.115 8.115 8.135 -0.020 18221
3062 1 6 . 1 1 86 86 ALA N N 77 120.410 120.410 120.951 -0.541 18221
3063 1 6 . 1 1 86 86 ALA C C 77 178.988 178.988 179.554 -0.566 18221
3064 1 6 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.312 -0.476 18221
3065 1 6 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.985 -0.475 18221
3066 1 6 . 1 1 86 86 ALA H H 77 8.632 8.632 8.335 0.297 18221
3067 1 6 . 1 1 87 87 GLY N N 78 105.706 105.706 107.353 -1.647 18221
3068 1 6 . 1 1 87 87 GLY C C 78 175.939 175.939 176.274 -0.335 18221
3069 1 6 . 1 1 87 87 GLY CA C 78 46.118 46.118 47.121 -1.003 18221
3070 1 6 . 1 1 87 87 GLY H H 78 8.196 8.196 7.905 0.291 18221
3071 1 6 . 1 1 88 88 LEU N N 79 124.128 124.128 121.782 2.346 18221
3072 1 6 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.330 0.072 18221
3073 1 6 . 1 1 88 88 LEU CB C 79 40.387 40.387 40.678 -0.291 18221
3074 1 6 . 1 1 88 88 LEU H H 79 8.449 8.449 8.076 0.373 18221
3075 1 6 . 1 1 89 89 SER N N 80 116.251 116.251 115.361 0.890 18221
3076 1 6 . 1 1 89 89 SER C C 80 179.153 179.153 176.742 2.411 18221
3077 1 6 . 1 1 89 89 SER CA C 80 61.023 61.023 62.057 -1.034 18221
3078 1 6 . 1 1 89 89 SER CB C 80 62.255 62.255 63.132 -0.877 18221
3079 1 6 . 1 1 89 89 SER H H 80 8.120 8.120 8.311 -0.191 18221
3080 1 6 . 1 1 90 90 VAL N N 81 119.310 119.310 121.419 -2.109 18221
3081 1 6 . 1 1 90 90 VAL C C 81 177.652 177.652 178.536 -0.884 18221
3082 1 6 . 1 1 90 90 VAL CA C 81 65.076 65.076 66.303 -1.227 18221
3083 1 6 . 1 1 90 90 VAL CB C 81 31.330 31.330 30.935 0.395 18221
3084 1 6 . 1 1 90 90 VAL H H 81 7.955 7.955 8.318 -0.363 18221
3085 1 6 . 1 1 91 91 THR N N 82 115.535 115.535 116.793 -1.258 18221
3086 1 6 . 1 1 91 91 THR C C 82 176.571 176.571 176.773 -0.202 18221
3087 1 6 . 1 1 91 91 THR CA C 82 66.434 66.434 67.178 -0.744 18221
3088 1 6 . 1 1 91 91 THR CB C 82 67.742 67.742 68.560 -0.818 18221
3089 1 6 . 1 1 91 91 THR H H 82 7.888 7.888 8.491 -0.603 18221
3090 1 6 . 1 1 92 92 SER N N 83 116.537 116.537 118.156 -1.619 18221
3091 1 6 . 1 1 92 92 SER HA H 83 4.040 4.040 4.042 -0.002 18221
3092 1 6 . 1 1 92 92 SER C C 83 176.761 176.761 176.663 0.098 18221
3093 1 6 . 1 1 92 92 SER CA C 83 61.564 61.564 62.005 -0.442 18221
3094 1 6 . 1 1 92 92 SER CB C 83 62.009 62.009 63.106 -1.097 18221
3095 1 6 . 1 1 92 92 SER H H 83 8.212 8.212 8.098 0.114 18221
3096 1 6 . 1 1 93 93 LYS N N 84 122.353 122.353 120.850 1.503 18221
3097 1 6 . 1 1 93 93 LYS HA H 84 4.119 4.119 4.003 0.116 18221
3098 1 6 . 1 1 93 93 LYS C C 84 172.812 172.812 179.100 -6.288 18221
3099 1 6 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.439 -1.004 18221
3100 1 6 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.518 -1.041 18221
3101 1 6 . 1 1 93 93 LYS H H 84 7.642 7.642 8.387 -0.745 18221
3102 1 6 . 1 1 94 94 VAL N N 85 119.348 119.348 118.329 1.019 18221
3103 1 6 . 1 1 94 94 VAL C C 85 177.948 177.948 177.442 0.506 18221
3104 1 6 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.028 0.361 18221
3105 1 6 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.520 0.326 18221
3106 1 6 . 1 1 94 94 VAL H H 85 8.414 8.414 7.750 0.664 18221
3107 1 6 . 1 1 95 95 ILE N N 86 118.769 118.769 116.671 2.098 18221
3108 1 6 . 1 1 95 95 ILE C C 86 177.972 177.972 176.806 1.166 18221
3109 1 6 . 1 1 95 95 ILE CA C 86 63.837 63.837 64.379 -0.542 18221
3110 1 6 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.597 -1.965 18221
3111 1 6 . 1 1 95 95 ILE H H 86 8.169 8.169 7.758 0.411 18221
3112 1 6 . 1 1 96 96 GLY N N 87 107.955 107.955 103.200 4.755 18221
3113 1 6 . 1 1 96 96 GLY C C 87 176.571 176.571 174.179 2.392 18221
3114 1 6 . 1 1 96 96 GLY CA C 87 46.511 46.511 45.536 0.975 18221
3115 1 6 . 1 1 96 96 GLY H H 87 8.182 8.182 8.448 -0.266 18221
3116 1 6 . 1 1 97 97 GLY N N 88 109.117 109.117 107.764 1.353 18221
3117 1 6 . 1 1 97 97 GLY C C 88 175.524 175.524 174.546 0.978 18221
3118 1 6 . 1 1 97 97 GLY CA C 88 45.832 45.832 45.345 0.487 18221
3119 1 6 . 1 1 97 97 GLY H H 88 7.953 7.953 8.419 -0.466 18221
3120 1 6 . 1 1 98 98 PHE N N 89 121.100 121.100 119.228 1.872 18221
3121 1 6 . 1 1 98 98 PHE C C 89 176.367 176.367 175.190 1.177 18221
3122 1 6 . 1 1 98 98 PHE CA C 89 56.900 56.900 57.788 -0.888 18221
3123 1 6 . 1 1 98 98 PHE CB C 89 38.832 38.832 39.828 -0.996 18221
3124 1 6 . 1 1 98 98 PHE H H 89 8.000 8.000 7.934 0.066 18221
3125 1 6 . 1 1 99 99 ALA N N 90 122.834 122.834 122.470 0.364 18221
3126 1 6 . 1 1 99 99 ALA C C 90 178.348 178.348 177.123 1.225 18221
3127 1 6 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.339 2.938 18221
3128 1 6 . 1 1 99 99 ALA CB C 90 17.414 17.414 17.360 0.054 18221
3129 1 6 . 1 1 99 99 ALA H H 90 8.322 8.322 8.235 0.087 18221
3130 1 6 . 1 1 100 100 GLY N N 91 106.688 106.688 108.290 -1.602 18221
3131 1 6 . 1 1 100 100 GLY C C 91 175.878 175.878 175.627 0.251 18221
3132 1 6 . 1 1 100 100 GLY CA C 91 45.626 45.626 46.441 -0.815 18221
3133 1 6 . 1 1 100 100 GLY H H 91 8.000 8.000 8.955 -0.955 18221
3134 1 6 . 1 1 101 101 THR N N 92 115.689 115.689 116.303 -0.614 18221
3135 1 6 . 1 1 101 101 THR C C 92 178.476 178.476 173.909 4.567 18221
3136 1 6 . 1 1 101 101 THR CA C 92 63.364 63.364 61.423 1.941 18221
3137 1 6 . 1 1 101 101 THR CB C 92 69.619 69.619 69.569 0.050 18221
3138 1 6 . 1 1 101 101 THR H H 92 7.754 7.754 7.926 -0.172 18221
3139 1 6 . 1 1 102 102 ALA N N 93 124.835 124.835 123.170 1.665 18221
3140 1 6 . 1 1 102 102 ALA CA C 93 54.311 54.311 52.062 2.249 18221
3141 1 6 . 1 1 102 102 ALA CB C 93 17.679 17.679 19.751 -2.072 18221
3142 1 6 . 1 1 102 102 ALA H H 93 7.919 7.919 8.120 -0.201 18221
3143 1 6 . 1 1 103 103 LEU N N 94 117.445 117.445 121.918 -4.473 18221
3144 1 6 . 1 1 103 103 LEU CA C 94 56.782 56.782 54.880 1.902 18221
3145 1 6 . 1 1 103 103 LEU CB C 94 40.902 40.902 42.511 -1.609 18221
3146 1 6 . 1 1 103 103 LEU H H 94 8.037 8.037 8.304 -0.267 18221
3147 1 6 . 1 1 104 104 GLY N N 95 106.296 106.296 111.962 -5.666 18221
3148 1 6 . 1 1 104 104 GLY C C 95 175.851 175.851 172.932 2.919 18221
3149 1 6 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.949 1.621 18221
3150 1 6 . 1 1 104 104 GLY H H 95 7.900 7.900 8.262 -0.362 18221
3151 1 6 . 1 1 105 105 ALA N N 96 123.872 123.872 125.650 -1.778 18221
3152 1 6 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.364 1.762 18221
3153 1 6 . 1 1 105 105 ALA CB C 96 17.587 17.587 19.130 -1.543 18221
3154 1 6 . 1 1 105 105 ALA H H 96 7.804 7.804 8.457 -0.652 18221
3155 1 6 . 1 1 106 106 TRP N N 97 120.348 120.348 121.089 -0.741 18221
3156 1 6 . 1 1 106 106 TRP C C 97 176.857 176.857 175.287 1.570 18221
3157 1 6 . 1 1 106 106 TRP CA C 97 56.900 56.900 57.390 -0.490 18221
3158 1 6 . 1 1 106 106 TRP H H 97 8.385 8.385 8.269 0.116 18221
3159 1 6 . 1 1 107 107 LEU N N 98 117.756 117.756 119.909 -2.153 18221
3160 1 6 . 1 1 107 107 LEU C C 98 177.659 177.659 176.373 1.286 18221
3161 1 6 . 1 1 107 107 LEU CA C 98 55.103 55.103 56.062 -0.959 18221
3162 1 6 . 1 1 107 107 LEU CB C 98 41.418 41.418 42.483 -1.065 18221
3163 1 6 . 1 1 107 107 LEU H H 98 7.880 7.880 7.912 -0.032 18221
3164 1 6 . 1 1 108 108 GLY N N 99 107.285 107.285 109.971 -2.686 18221
3165 1 6 . 1 1 108 108 GLY C C 99 173.815 173.815 173.307 0.508 18221
3166 1 6 . 1 1 108 108 GLY CA C 99 44.947 44.947 45.055 -0.108 18221
3167 1 6 . 1 1 108 108 GLY H H 99 7.694 7.694 8.746 -1.052 18221
3168 1 6 . 1 1 109 109 SER N N 100 117.139 117.139 116.130 1.009 18221
3169 1 6 . 1 1 109 109 SER C C 100 172.179 172.179 172.763 -0.584 18221
3170 1 6 . 1 1 109 109 SER CA C 100 56.015 56.015 55.887 0.128 18221
3171 1 6 . 1 1 109 109 SER CB C 100 62.771 62.771 64.219 -1.448 18221
3172 1 6 . 1 1 109 109 SER H H 100 8.030 8.030 8.196 -0.166 18221
3173 1 6 . 1 1 111 111 PRO C C 102 177.073 177.073 176.422 0.651 18221
3174 1 6 . 1 1 111 111 PRO CA C 102 62.199 62.199 62.776 -0.577 18221
3175 1 6 . 1 1 111 111 PRO CB C 102 31.211 31.211 32.781 -1.570 18221
3176 1 6 . 1 1 112 112 SER N N 103 117.115 117.115 117.096 0.019 18221
3177 1 6 . 1 1 112 112 SER C C 103 173.898 173.898 174.446 -0.548 18221
3178 1 6 . 1 1 112 112 SER CA C 103 57.904 57.904 58.365 -0.461 18221
3179 1 6 . 1 1 112 112 SER CB C 103 63.360 63.360 63.552 -0.192 18221
3180 1 6 . 1 1 112 112 SER H H 103 8.345 8.345 8.532 -0.187 18221
3181 1 7 . 1 1 11 11 GLY N N 2 109.366 109.366 108.877 0.489 18221
3182 1 7 . 1 1 11 11 GLY C C 2 174.543 174.543 174.981 -0.438 18221
3183 1 7 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.094 0.601 18221
3184 1 7 . 1 1 11 11 GLY H H 2 8.271 8.271 8.295 -0.024 18221
3185 1 7 . 1 1 12 12 LYS N N 3 121.129 121.129 122.936 -1.807 18221
3186 1 7 . 1 1 12 12 LYS HA H 3 4.132 4.132 3.963 0.169 18221
3187 1 7 . 1 1 12 12 LYS C C 3 177.234 177.234 177.157 0.077 18221
3188 1 7 . 1 1 12 12 LYS CA C 3 56.812 56.812 58.511 -1.700 18221
3189 1 7 . 1 1 12 12 LYS CB C 3 31.846 31.846 32.919 -1.073 18221
3190 1 7 . 1 1 12 12 LYS H H 3 8.057 8.057 8.314 -0.257 18221
3191 1 7 . 1 1 13 13 GLU N N 4 120.318 120.318 115.101 5.217 18221
3192 1 7 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.354 -0.199 18221
3193 1 7 . 1 1 13 13 GLU C C 4 176.857 176.857 175.885 0.972 18221
3194 1 7 . 1 1 13 13 GLU CA C 4 56.871 56.871 56.494 0.377 18221
3195 1 7 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.818 -2.430 18221
3196 1 7 . 1 1 13 13 GLU H H 4 8.398 8.398 8.009 0.389 18221
3197 1 7 . 1 1 14 14 SER N N 5 115.504 115.504 116.762 -1.258 18221
3198 1 7 . 1 1 14 14 SER HA H 5 3.843 3.843 4.729 -0.886 18221
3199 1 7 . 1 1 14 14 SER C C 5 175.337 175.337 173.125 2.212 18221
3200 1 7 . 1 1 14 14 SER CA C 5 58.524 58.524 58.585 -0.061 18221
3201 1 7 . 1 1 14 14 SER CB C 5 63.360 63.360 63.843 -0.483 18221
3202 1 7 . 1 1 14 14 SER H H 5 8.089 8.089 8.081 0.008 18221
3203 1 7 . 1 1 15 15 GLY N N 6 110.761 110.761 111.092 -0.331 18221
3204 1 7 . 1 1 15 15 GLY C C 6 174.581 174.581 172.836 1.745 18221
3205 1 7 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.682 -0.116 18221
3206 1 7 . 1 1 15 15 GLY H H 6 8.197 8.197 8.204 -0.007 18221
3207 1 7 . 1 1 16 16 TRP N N 7 121.800 121.800 121.568 0.232 18221
3208 1 7 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.851 -0.291 18221
3209 1 7 . 1 1 16 16 TRP C C 7 176.920 176.920 175.702 1.218 18221
3210 1 7 . 1 1 16 16 TRP CA C 7 58.081 58.081 57.067 1.014 18221
3211 1 7 . 1 1 16 16 TRP CB C 7 28.679 28.679 30.841 -2.162 18221
3212 1 7 . 1 1 16 16 TRP H H 7 8.184 8.184 8.549 -0.365 18221
3213 1 7 . 1 1 17 17 ASP N N 8 121.132 121.132 120.990 0.142 18221
3214 1 7 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.506 -0.111 18221
3215 1 7 . 1 1 17 17 ASP C C 8 176.941 176.941 175.049 1.892 18221
3216 1 7 . 1 1 17 17 ASP CA C 8 56.244 56.244 55.356 0.888 18221
3217 1 7 . 1 1 17 17 ASP CB C 8 39.945 39.945 40.242 -0.297 18221
3218 1 7 . 1 1 17 17 ASP H H 8 8.332 8.332 8.250 0.082 18221
3219 1 7 . 1 1 18 18 SER N N 9 116.148 116.148 115.413 0.735 18221
3220 1 7 . 1 1 18 18 SER HA H 9 3.861 3.861 4.605 -0.744 18221
3221 1 7 . 1 1 18 18 SER CA C 9 60.081 60.081 58.040 2.041 18221
3222 1 7 . 1 1 18 18 SER CB C 9 62.255 62.255 64.457 -2.202 18221
3223 1 7 . 1 1 18 18 SER H H 9 8.129 8.129 8.616 -0.487 18221
3224 1 7 . 1 1 19 19 GLY N N 10 110.747 110.747 113.192 -2.445 18221
3225 1 7 . 1 1 19 19 GLY C C 10 174.682 174.682 175.986 -1.304 18221
3226 1 7 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.512 1.088 18221
3227 1 7 . 1 1 19 19 GLY H H 10 8.216 8.216 8.396 -0.180 18221
3228 1 7 . 1 1 20 20 ARG N N 11 121.405 121.405 120.582 0.823 18221
3229 1 7 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.288 -0.431 18221
3230 1 7 . 1 1 20 20 ARG C C 11 178.328 178.328 178.971 -0.643 18221
3231 1 7 . 1 1 20 20 ARG CA C 11 59.085 59.085 57.829 1.256 18221
3232 1 7 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.390 -1.343 18221
3233 1 7 . 1 1 20 20 ARG H H 11 8.158 8.158 8.458 -0.300 18221
3234 1 7 . 1 1 21 21 ALA N N 12 122.167 122.167 122.668 -0.501 18221
3235 1 7 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.083 0.017 18221
3236 1 7 . 1 1 21 21 ALA C C 12 180.129 180.129 179.436 0.693 18221
3237 1 7 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.712 -0.320 18221
3238 1 7 . 1 1 21 21 ALA CB C 12 17.414 17.414 18.081 -0.667 18221
3239 1 7 . 1 1 21 21 ALA H H 12 7.963 7.963 8.371 -0.408 18221
3240 1 7 . 1 1 22 22 ALA N N 13 122.150 122.150 121.673 0.477 18221
3241 1 7 . 1 1 22 22 ALA HA H 13 4.037 4.037 4.010 0.027 18221
3242 1 7 . 1 1 22 22 ALA C C 13 179.095 179.095 179.887 -0.792 18221
3243 1 7 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.973 -0.257 18221
3244 1 7 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.136 -0.575 18221
3245 1 7 . 1 1 22 22 ALA H H 13 7.881 7.881 8.338 -0.457 18221
3246 1 7 . 1 1 23 23 VAL N N 14 117.107 117.107 118.608 -1.501 18221
3247 1 7 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.613 -0.133 18221
3248 1 7 . 1 1 23 23 VAL C C 14 177.586 177.586 178.246 -0.660 18221
3249 1 7 . 1 1 23 23 VAL CA C 14 66.198 66.198 66.098 0.100 18221
3250 1 7 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.832 -0.312 18221
3251 1 7 . 1 1 23 23 VAL H H 14 7.888 7.888 8.135 -0.247 18221
3252 1 7 . 1 1 24 24 ALA N N 15 121.333 121.333 121.979 -0.646 18221
3253 1 7 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.977 0.004 18221
3254 1 7 . 1 1 24 24 ALA C C 15 180.373 180.373 179.351 1.022 18221
3255 1 7 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.226 -0.215 18221
3256 1 7 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.849 -0.597 18221
3257 1 7 . 1 1 24 24 ALA H H 15 8.037 8.037 7.768 0.269 18221
3258 1 7 . 1 1 25 25 ALA N N 16 121.158 121.158 119.217 1.941 18221
3259 1 7 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.162 -0.016 18221
3260 1 7 . 1 1 25 25 ALA C C 16 179.828 179.828 178.770 1.058 18221
3261 1 7 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.587 -0.136 18221
3262 1 7 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.469 -0.982 18221
3263 1 7 . 1 1 25 25 ALA H H 16 7.819 7.819 7.877 -0.058 18221
3264 1 7 . 1 1 26 26 VAL N N 17 118.417 118.417 116.194 2.223 18221
3265 1 7 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.884 -0.106 18221
3266 1 7 . 1 1 26 26 VAL C C 17 178.020 178.020 176.533 1.487 18221
3267 1 7 . 1 1 26 26 VAL CA C 17 65.578 65.578 64.474 1.104 18221
3268 1 7 . 1 1 26 26 VAL CB C 17 31.085 31.085 32.121 -1.036 18221
3269 1 7 . 1 1 26 26 VAL H H 17 7.848 7.848 7.384 0.464 18221
3270 1 7 . 1 1 27 27 VAL N N 18 119.240 119.240 119.656 -0.416 18221
3271 1 7 . 1 1 27 27 VAL C C 18 177.719 177.719 176.549 1.170 18221
3272 1 7 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.932 1.059 18221
3273 1 7 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.323 -2.136 18221
3274 1 7 . 1 1 27 27 VAL H H 18 8.377 8.377 7.353 1.024 18221
3275 1 7 . 1 1 28 28 GLY N N 19 106.009 106.009 106.634 -0.625 18221
3276 1 7 . 1 1 28 28 GLY C C 19 176.212 176.212 174.556 1.656 18221
3277 1 7 . 1 1 28 28 GLY CA C 19 46.244 46.244 47.166 -0.922 18221
3278 1 7 . 1 1 28 28 GLY H H 19 8.122 8.122 7.883 0.239 18221
3279 1 7 . 1 1 29 29 GLY N N 20 110.216 110.216 112.737 -2.521 18221
3280 1 7 . 1 1 29 29 GLY C C 20 174.097 174.097 175.367 -1.270 18221
3281 1 7 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.654 1.681 18221
3282 1 7 . 1 1 29 29 GLY H H 20 8.039 8.039 7.871 0.168 18221
3283 1 7 . 1 1 30 30 VAL N N 21 121.188 121.188 121.761 -0.573 18221
3284 1 7 . 1 1 30 30 VAL C C 21 177.073 177.073 177.132 -0.059 18221
3285 1 7 . 1 1 30 30 VAL CA C 21 62.574 62.574 65.854 -3.280 18221
3286 1 7 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.946 -1.156 18221
3287 1 7 . 1 1 30 30 VAL H H 21 7.983 7.983 7.927 0.056 18221
3288 1 7 . 1 1 32 32 ALA N N 23 125.091 125.091 121.593 3.498 18221
3289 1 7 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.088 0.172 18221
3290 1 7 . 1 1 32 32 ALA C C 23 179.523 179.523 180.022 -0.499 18221
3291 1 7 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.136 -1.453 18221
3292 1 7 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.073 -1.690 18221
3293 1 7 . 1 1 32 32 ALA H H 23 8.036 8.036 7.569 0.467 18221
3294 1 7 . 1 1 33 33 VAL N N 24 118.793 118.793 116.889 1.904 18221
3295 1 7 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.801 -0.093 18221
3296 1 7 . 1 1 33 33 VAL C C 24 177.901 177.901 178.207 -0.306 18221
3297 1 7 . 1 1 33 33 VAL CA C 24 65.430 65.430 64.923 0.507 18221
3298 1 7 . 1 1 33 33 VAL CB C 24 31.318 31.318 30.776 0.542 18221
3299 1 7 . 1 1 33 33 VAL H H 24 8.195 8.195 8.170 0.025 18221
3300 1 7 . 1 1 34 34 GLY N N 25 108.367 108.367 108.589 -0.222 18221
3301 1 7 . 1 1 34 34 GLY C C 25 175.424 175.424 176.106 -0.682 18221
3302 1 7 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.519 -0.185 18221
3303 1 7 . 1 1 34 34 GLY H H 25 8.651 8.651 8.037 0.614 18221
3304 1 7 . 1 1 35 35 THR N N 26 116.448 116.448 119.509 -3.061 18221
3305 1 7 . 1 1 35 35 THR C C 26 176.843 176.843 176.932 -0.089 18221
3306 1 7 . 1 1 35 35 THR CA C 26 65.962 65.962 67.524 -1.562 18221
3307 1 7 . 1 1 35 35 THR CB C 26 68.414 68.414 68.819 -0.404 18221
3308 1 7 . 1 1 35 35 THR H H 26 7.975 7.975 8.043 -0.068 18221
3309 1 7 . 1 1 36 36 VAL N N 27 122.810 122.810 121.761 1.049 18221
3310 1 7 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.581 0.138 18221
3311 1 7 . 1 1 36 36 VAL C C 27 177.618 177.618 177.439 0.179 18221
3312 1 7 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.618 -0.892 18221
3313 1 7 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.738 -1.071 18221
3314 1 7 . 1 1 36 36 VAL H H 27 7.559 7.559 8.050 -0.491 18221
3315 1 7 . 1 1 37 37 LEU N N 28 119.566 119.566 120.155 -0.589 18221
3316 1 7 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.843 0.110 18221
3317 1 7 . 1 1 37 37 LEU C C 28 179.666 179.666 178.878 0.788 18221
3318 1 7 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.292 -0.447 18221
3319 1 7 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.965 -1.799 18221
3320 1 7 . 1 1 37 37 LEU H H 28 8.086 8.086 7.773 0.313 18221
3321 1 7 . 1 1 38 38 VAL N N 29 119.468 119.468 117.468 2.000 18221
3322 1 7 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.491 0.162 18221
3323 1 7 . 1 1 38 38 VAL C C 29 178.639 178.639 178.348 0.291 18221
3324 1 7 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.293 -0.820 18221
3325 1 7 . 1 1 38 38 VAL CB C 29 30.609 30.609 30.774 -0.165 18221
3326 1 7 . 1 1 38 38 VAL H H 29 8.066 8.066 8.370 -0.304 18221
3327 1 7 . 1 1 39 39 ALA N N 30 124.255 124.255 122.481 1.774 18221
3328 1 7 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.042 0.123 18221
3329 1 7 . 1 1 39 39 ALA C C 30 180.303 180.303 179.737 0.566 18221
3330 1 7 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.118 -0.284 18221
3331 1 7 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.359 -0.651 18221
3332 1 7 . 1 1 39 39 ALA H H 30 7.688 7.688 7.863 -0.175 18221
3333 1 7 . 1 1 40 40 LEU N N 31 118.268 118.268 119.458 -1.190 18221
3334 1 7 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.079 0.062 18221
3335 1 7 . 1 1 40 40 LEU C C 31 179.271 179.271 179.419 -0.148 18221
3336 1 7 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.389 -0.311 18221
3337 1 7 . 1 1 40 40 LEU CB C 31 40.902 40.902 40.757 0.145 18221
3338 1 7 . 1 1 40 40 LEU H H 31 8.326 8.326 8.002 0.324 18221
3339 1 7 . 1 1 41 41 SER N N 32 114.984 114.984 113.741 1.243 18221
3340 1 7 . 1 1 41 41 SER HA H 32 3.952 3.952 4.129 -0.177 18221
3341 1 7 . 1 1 41 41 SER C C 32 176.284 176.284 174.954 1.330 18221
3342 1 7 . 1 1 41 41 SER CA C 32 60.885 60.885 61.027 -0.142 18221
3343 1 7 . 1 1 41 41 SER CB C 32 62.410 62.410 63.351 -0.941 18221
3344 1 7 . 1 1 41 41 SER H H 32 8.062 8.062 8.144 -0.082 18221
3345 1 7 . 1 1 42 42 ALA N N 33 124.588 124.588 121.594 2.994 18221
3346 1 7 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.170 0.055 18221
3347 1 7 . 1 1 42 42 ALA C C 33 179.033 179.033 176.438 2.595 18221
3348 1 7 . 1 1 42 42 ALA CA C 33 53.713 53.713 52.586 1.127 18221
3349 1 7 . 1 1 42 42 ALA CB C 33 17.929 17.929 19.568 -1.639 18221
3350 1 7 . 1 1 42 42 ALA H H 33 7.813 7.813 7.862 -0.049 18221
3351 1 7 . 1 1 43 43 MET N N 34 116.808 116.808 115.166 1.642 18221
3352 1 7 . 1 1 43 43 MET HA H 34 4.285 4.285 4.454 -0.169 18221
3353 1 7 . 1 1 43 43 MET C C 34 176.807 176.807 175.853 0.954 18221
3354 1 7 . 1 1 43 43 MET CA C 34 56.576 56.576 56.262 0.314 18221
3355 1 7 . 1 1 43 43 MET CB C 34 32.435 32.435 34.175 -1.740 18221
3356 1 7 . 1 1 43 43 MET H H 34 7.691 7.691 8.023 -0.332 18221
3357 1 7 . 1 1 44 44 GLY N N 35 107.020 107.020 107.755 -0.735 18221
3358 1 7 . 1 1 44 44 GLY C C 35 174.493 174.493 174.152 0.341 18221
3359 1 7 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.588 -0.523 18221
3360 1 7 . 1 1 44 44 GLY H H 35 7.793 7.793 8.432 -0.639 18221
3361 1 7 . 1 1 45 45 PHE N N 36 120.285 120.285 118.873 1.412 18221
3362 1 7 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.878 -0.371 18221
3363 1 7 . 1 1 45 45 PHE C C 36 176.876 176.876 173.887 2.989 18221
3364 1 7 . 1 1 45 45 PHE CA C 36 58.937 58.937 56.909 2.028 18221
3365 1 7 . 1 1 45 45 PHE CB C 36 38.178 38.178 39.598 -1.420 18221
3366 1 7 . 1 1 45 45 PHE H H 36 8.215 8.215 7.666 0.549 18221
3367 1 7 . 1 1 46 46 THR N N 37 114.008 114.008 114.213 -0.205 18221
3368 1 7 . 1 1 46 46 THR HA H 37 4.080 4.080 4.557 -0.477 18221
3369 1 7 . 1 1 46 46 THR C C 37 175.751 175.751 174.109 1.642 18221
3370 1 7 . 1 1 46 46 THR CA C 37 64.220 64.220 61.818 2.402 18221
3371 1 7 . 1 1 46 46 THR CB C 37 68.514 68.514 70.811 -2.297 18221
3372 1 7 . 1 1 46 46 THR H H 37 8.111 8.111 7.515 0.596 18221
3373 1 7 . 1 1 47 47 SER N N 38 116.646 116.646 117.723 -1.077 18221
3374 1 7 . 1 1 47 47 SER HA H 38 3.918 3.918 4.395 -0.477 18221
3375 1 7 . 1 1 47 47 SER C C 38 176.744 176.744 175.528 1.216 18221
3376 1 7 . 1 1 47 47 SER CA C 38 59.911 59.911 59.702 0.209 18221
3377 1 7 . 1 1 47 47 SER CB C 38 62.624 62.624 63.565 -0.941 18221
3378 1 7 . 1 1 47 47 SER H H 38 8.079 8.079 8.686 -0.607 18221
3379 1 7 . 1 1 48 48 VAL N N 39 121.929 121.929 122.018 -0.089 18221
3380 1 7 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.822 0.087 18221
3381 1 7 . 1 1 48 48 VAL C C 39 177.033 177.033 177.604 -0.571 18221
3382 1 7 . 1 1 48 48 VAL CA C 39 64.988 64.988 66.511 -1.523 18221
3383 1 7 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.785 -1.118 18221
3384 1 7 . 1 1 48 48 VAL H H 39 7.985 7.985 7.970 0.015 18221
3385 1 7 . 1 1 49 49 GLY N N 40 108.633 108.633 107.835 0.798 18221
3386 1 7 . 1 1 49 49 GLY C C 40 176.038 176.038 176.465 -0.427 18221
3387 1 7 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.585 -0.720 18221
3388 1 7 . 1 1 49 49 GLY H H 40 8.267 8.267 8.476 -0.209 18221
3389 1 7 . 1 1 50 50 ILE N N 41 122.466 122.466 122.942 -0.476 18221
3390 1 7 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.762 0.109 18221
3391 1 7 . 1 1 50 50 ILE C C 41 178.363 178.363 177.886 0.477 18221
3392 1 7 . 1 1 50 50 ILE CA C 41 63.515 63.515 63.818 -0.303 18221
3393 1 7 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.489 -0.251 18221
3394 1 7 . 1 1 50 50 ILE H H 41 7.865 7.865 8.008 -0.143 18221
3395 1 7 . 1 1 51 51 ALA N N 42 125.064 125.064 121.276 3.788 18221
3396 1 7 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.962 0.137 18221
3397 1 7 . 1 1 51 51 ALA C C 42 179.385 179.385 179.338 0.047 18221
3398 1 7 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.194 -0.714 18221
3399 1 7 . 1 1 51 51 ALA CB C 42 17.487 17.487 18.009 -0.522 18221
3400 1 7 . 1 1 51 51 ALA H H 42 7.930 7.930 7.840 0.090 18221
3401 1 7 . 1 1 52 52 ALA N N 43 120.594 120.594 120.569 0.025 18221
3402 1 7 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.104 -0.167 18221
3403 1 7 . 1 1 52 52 ALA C C 43 179.088 179.088 179.997 -0.909 18221
3404 1 7 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.820 0.280 18221
3405 1 7 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.015 -0.380 18221
3406 1 7 . 1 1 52 52 ALA H H 43 8.639 8.639 8.162 0.477 18221
3407 1 7 . 1 1 53 53 SER N N 44 113.012 113.012 114.516 -1.504 18221
3408 1 7 . 1 1 53 53 SER HA H 44 3.966 3.966 4.256 -0.290 18221
3409 1 7 . 1 1 53 53 SER C C 44 176.898 176.898 176.890 0.008 18221
3410 1 7 . 1 1 53 53 SER CA C 44 61.139 61.139 61.735 -0.596 18221
3411 1 7 . 1 1 53 53 SER CB C 44 62.347 62.347 62.975 -0.628 18221
3412 1 7 . 1 1 53 53 SER H H 44 8.193 8.193 8.126 0.067 18221
3413 1 7 . 1 1 54 54 SER N N 45 118.714 118.714 118.419 0.295 18221
3414 1 7 . 1 1 54 54 SER HA H 45 3.975 3.975 4.230 -0.255 18221
3415 1 7 . 1 1 54 54 SER C C 45 177.131 177.131 176.687 0.444 18221
3416 1 7 . 1 1 54 54 SER CA C 45 61.210 61.210 61.848 -0.638 18221
3417 1 7 . 1 1 54 54 SER CB C 45 62.255 62.255 63.101 -0.846 18221
3418 1 7 . 1 1 54 54 SER H H 45 7.944 7.944 8.106 -0.162 18221
3419 1 7 . 1 1 55 55 ILE N N 46 122.912 122.912 118.143 4.769 18221
3420 1 7 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.840 -0.083 18221
3421 1 7 . 1 1 55 55 ILE C C 46 177.813 177.813 177.332 0.481 18221
3422 1 7 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.238 -0.047 18221
3423 1 7 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.596 -0.670 18221
3424 1 7 . 1 1 55 55 ILE H H 46 8.028 8.028 8.104 -0.076 18221
3425 1 7 . 1 1 56 56 ALA N N 47 122.990 122.990 122.392 0.598 18221
3426 1 7 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.071 -0.115 18221
3427 1 7 . 1 1 56 56 ALA C C 47 180.294 180.294 178.763 1.531 18221
3428 1 7 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.002 0.336 18221
3429 1 7 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.737 -1.035 18221
3430 1 7 . 1 1 56 56 ALA H H 47 8.333 8.333 7.966 0.367 18221
3431 1 7 . 1 1 57 57 ALA N N 48 121.988 121.988 122.346 -0.358 18221
3432 1 7 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.118 -0.050 18221
3433 1 7 . 1 1 57 57 ALA CA C 48 54.421 54.421 52.525 1.896 18221
3434 1 7 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.604 -1.902 18221
3435 1 7 . 1 1 57 57 ALA H H 48 7.879 7.879 7.691 0.188 18221
3436 1 7 . 1 1 58 58 LYS N N 49 119.094 119.094 117.180 1.914 18221
3437 1 7 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.975 0.171 18221
3438 1 7 . 1 1 58 58 LYS C C 49 179.649 179.649 175.582 4.067 18221
3439 1 7 . 1 1 58 58 LYS CA C 49 57.157 57.157 57.080 0.077 18221
3440 1 7 . 1 1 58 58 LYS CB C 49 31.330 31.330 31.620 -0.290 18221
3441 1 7 . 1 1 58 58 LYS H H 49 7.727 7.727 8.015 -0.288 18221
3442 1 7 . 1 1 59 59 MET N N 50 120.498 120.498 121.790 -1.292 18221
3443 1 7 . 1 1 59 59 MET HA H 50 4.156 4.156 4.370 -0.214 18221
3444 1 7 . 1 1 59 59 MET C C 50 177.949 177.949 174.809 3.140 18221
3445 1 7 . 1 1 59 59 MET CA C 50 57.136 57.136 56.107 1.029 18221
3446 1 7 . 1 1 59 59 MET CB C 50 31.922 31.922 33.058 -1.136 18221
3447 1 7 . 1 1 59 59 MET H H 50 8.395 8.395 8.482 -0.087 18221
3448 1 7 . 1 1 60 60 MET N N 51 117.689 117.689 121.006 -3.317 18221
3449 1 7 . 1 1 60 60 MET HA H 51 4.222 4.222 4.322 -0.100 18221
3450 1 7 . 1 1 60 60 MET C C 51 177.674 177.674 174.674 3.000 18221
3451 1 7 . 1 1 60 60 MET CA C 51 57.638 57.638 55.672 1.966 18221
3452 1 7 . 1 1 60 60 MET CB C 51 31.785 31.785 31.824 -0.039 18221
3453 1 7 . 1 1 60 60 MET H H 51 8.234 8.234 8.287 -0.053 18221
3454 1 7 . 1 1 61 61 SER N N 52 114.385 114.385 119.331 -4.946 18221
3455 1 7 . 1 1 61 61 SER HA H 52 4.001 4.001 4.584 -0.583 18221
3456 1 7 . 1 1 61 61 SER C C 52 176.079 176.079 174.584 1.495 18221
3457 1 7 . 1 1 61 61 SER CA C 52 59.911 59.911 58.590 1.321 18221
3458 1 7 . 1 1 61 61 SER CB C 52 62.624 62.624 63.174 -0.550 18221
3459 1 7 . 1 1 61 61 SER H H 52 7.893 7.893 8.364 -0.471 18221
3460 1 7 . 1 1 62 62 THR N N 53 117.304 117.304 118.894 -1.590 18221
3461 1 7 . 1 1 62 62 THR HA H 53 4.104 4.104 4.602 -0.498 18221
3462 1 7 . 1 1 62 62 THR C C 53 175.436 175.436 174.167 1.269 18221
3463 1 7 . 1 1 62 62 THR CA C 53 64.220 64.220 61.467 2.753 18221
3464 1 7 . 1 1 62 62 THR CB C 53 68.514 68.514 70.576 -2.062 18221
3465 1 7 . 1 1 62 62 THR H H 53 7.794 7.794 8.005 -0.211 18221
3466 1 7 . 1 1 63 63 ALA N N 54 125.382 125.382 127.436 -2.054 18221
3467 1 7 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.339 -0.245 18221
3468 1 7 . 1 1 63 63 ALA C C 54 178.328 178.328 176.944 1.384 18221
3469 1 7 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.633 1.464 18221
3470 1 7 . 1 1 63 63 ALA CB C 54 17.708 17.708 18.644 -0.936 18221
3471 1 7 . 1 1 63 63 ALA H H 54 8.204 8.204 8.512 -0.308 18221
3472 1 7 . 1 1 64 64 ALA N N 55 119.929 119.929 119.806 0.123 18221
3473 1 7 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.081 0.044 18221
3474 1 7 . 1 1 64 64 ALA C C 55 179.183 179.183 176.510 2.673 18221
3475 1 7 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.564 1.473 18221
3476 1 7 . 1 1 64 64 ALA CB C 55 17.708 17.708 18.526 -0.817 18221
3477 1 7 . 1 1 64 64 ALA H H 55 7.951 7.951 7.558 0.393 18221
3478 1 7 . 1 1 65 65 ILE N N 56 117.016 117.016 118.967 -1.951 18221
3479 1 7 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.374 -0.424 18221
3480 1 7 . 1 1 65 65 ILE C C 56 177.222 177.222 175.319 1.903 18221
3481 1 7 . 1 1 65 65 ILE CA C 56 62.184 62.184 61.794 0.390 18221
3482 1 7 . 1 1 65 65 ILE CB C 56 37.073 37.073 39.739 -2.666 18221
3483 1 7 . 1 1 65 65 ILE H H 56 7.561 7.561 8.785 -1.224 18221
3484 1 7 . 1 1 66 66 ALA N N 57 124.191 124.191 123.560 0.631 18221
3485 1 7 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.492 -0.315 18221
3486 1 7 . 1 1 66 66 ALA C C 57 178.190 178.190 175.412 2.778 18221
3487 1 7 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.084 1.452 18221
3488 1 7 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.328 -1.399 18221
3489 1 7 . 1 1 66 66 ALA H H 57 7.982 7.982 7.702 0.280 18221
3490 1 7 . 1 1 67 67 ASN N N 58 116.132 116.132 117.017 -0.885 18221
3491 1 7 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.906 -0.233 18221
3492 1 7 . 1 1 67 67 ASN C C 58 176.344 176.344 174.610 1.734 18221
3493 1 7 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.164 0.313 18221
3494 1 7 . 1 1 67 67 ASN CB C 58 38.472 38.472 37.824 0.648 18221
3495 1 7 . 1 1 67 67 ASN H H 58 8.113 8.113 7.757 0.356 18221
3496 1 7 . 1 1 68 68 GLY N N 59 108.808 108.808 109.291 -0.483 18221
3497 1 7 . 1 1 68 68 GLY C C 59 174.958 174.958 173.764 1.194 18221
3498 1 7 . 1 1 68 68 GLY CA C 59 45.655 45.655 46.031 -0.376 18221
3499 1 7 . 1 1 68 68 GLY H H 59 8.152 8.152 8.574 -0.422 18221
3500 1 7 . 1 1 69 69 GLY N N 60 108.832 108.832 109.984 -1.152 18221
3501 1 7 . 1 1 69 69 GLY C C 60 174.631 174.631 173.916 0.715 18221
3502 1 7 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.923 0.496 18221
3503 1 7 . 1 1 69 69 GLY H H 60 8.218 8.218 8.429 -0.211 18221
3504 1 7 . 1 1 70 70 GLY N N 61 108.966 108.966 108.208 0.758 18221
3505 1 7 . 1 1 70 70 GLY C C 61 174.594 174.594 174.475 0.119 18221
3506 1 7 . 1 1 70 70 GLY CA C 61 45.360 45.360 45.332 0.028 18221
3507 1 7 . 1 1 70 70 GLY H H 61 8.175 8.175 8.095 0.080 18221
3508 1 7 . 1 1 71 71 VAL N N 62 120.209 120.209 120.775 -0.566 18221
3509 1 7 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.672 0.334 18221
3510 1 7 . 1 1 71 71 VAL C C 62 176.077 176.077 175.069 1.008 18221
3511 1 7 . 1 1 71 71 VAL CA C 62 62.390 62.390 62.621 -0.231 18221
3512 1 7 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.119 -0.421 18221
3513 1 7 . 1 1 71 71 VAL H H 62 7.882 7.882 8.137 -0.255 18221
3514 1 7 . 1 1 72 72 ALA N N 63 126.966 126.966 125.154 1.812 18221
3515 1 7 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.096 -0.070 18221
3516 1 7 . 1 1 72 72 ALA C C 63 178.064 178.064 176.388 1.676 18221
3517 1 7 . 1 1 72 72 ALA CA C 63 52.503 52.503 52.381 0.122 18221
3518 1 7 . 1 1 72 72 ALA CB C 63 18.225 18.225 18.785 -0.560 18221
3519 1 7 . 1 1 72 72 ALA H H 63 8.237 8.237 8.309 -0.072 18221
3520 1 7 . 1 1 73 73 ALA N N 64 123.432 123.432 125.824 -2.392 18221
3521 1 7 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.617 -0.602 18221
3522 1 7 . 1 1 73 73 ALA C C 64 178.995 178.995 177.542 1.453 18221
3523 1 7 . 1 1 73 73 ALA CA C 64 54.421 54.421 51.167 3.254 18221
3524 1 7 . 1 1 73 73 ALA CB C 64 18.003 18.003 20.907 -2.905 18221
3525 1 7 . 1 1 73 73 ALA H H 64 8.421 8.421 8.086 0.335 18221
3526 1 7 . 1 1 74 74 GLY N N 65 105.577 105.577 105.640 -0.063 18221
3527 1 7 . 1 1 74 74 GLY C C 65 176.367 176.367 176.034 0.333 18221
3528 1 7 . 1 1 74 74 GLY CA C 65 46.244 46.244 45.607 0.637 18221
3529 1 7 . 1 1 74 74 GLY H H 65 8.448 8.448 8.021 0.427 18221
3530 1 7 . 1 1 75 75 SER N N 66 117.656 117.656 117.590 0.066 18221
3531 1 7 . 1 1 75 75 SER HA H 66 4.394 4.394 4.295 0.099 18221
3532 1 7 . 1 1 75 75 SER C C 66 176.329 176.329 177.028 -0.699 18221
3533 1 7 . 1 1 75 75 SER CA C 66 60.236 60.236 60.549 -0.313 18221
3534 1 7 . 1 1 75 75 SER CB C 66 62.476 62.476 62.845 -0.369 18221
3535 1 7 . 1 1 75 75 SER H H 66 7.899 7.899 8.165 -0.266 18221
3536 1 7 . 1 1 76 76 LEU N N 67 122.743 122.743 121.779 0.964 18221
3537 1 7 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.990 0.060 18221
3538 1 7 . 1 1 76 76 LEU C C 67 178.442 178.442 178.339 0.103 18221
3539 1 7 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.460 0.060 18221
3540 1 7 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.804 -1.123 18221
3541 1 7 . 1 1 76 76 LEU H H 67 7.955 7.955 8.281 -0.326 18221
3542 1 7 . 1 1 77 77 VAL N N 68 118.400 118.400 118.215 0.185 18221
3543 1 7 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.450 0.021 18221
3544 1 7 . 1 1 77 77 VAL C C 68 177.297 177.297 177.599 -0.302 18221
3545 1 7 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.291 0.379 18221
3546 1 7 . 1 1 77 77 VAL CB C 68 30.520 30.520 30.957 -0.437 18221
3547 1 7 . 1 1 77 77 VAL H H 68 8.039 8.039 8.027 0.012 18221
3548 1 7 . 1 1 78 78 ALA N N 69 121.927 121.927 122.191 -0.264 18221
3549 1 7 . 1 1 78 78 ALA HA H 69 4.205 4.205 3.983 0.222 18221
3550 1 7 . 1 1 78 78 ALA C C 69 181.258 181.258 179.448 1.810 18221
3551 1 7 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.442 -0.460 18221
3552 1 7 . 1 1 78 78 ALA CB C 69 17.414 17.414 17.769 -0.355 18221
3553 1 7 . 1 1 78 78 ALA H H 69 7.631 7.631 7.857 -0.226 18221
3554 1 7 . 1 1 79 79 ILE N N 70 119.782 119.782 119.732 0.050 18221
3555 1 7 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.686 0.110 18221
3556 1 7 . 1 1 79 79 ILE C C 70 178.253 178.253 177.967 0.286 18221
3557 1 7 . 1 1 79 79 ILE CA C 70 64.352 64.352 64.991 -0.639 18221
3558 1 7 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.750 -0.677 18221
3559 1 7 . 1 1 79 79 ILE H H 70 7.841 7.841 7.228 0.613 18221
3560 1 7 . 1 1 80 80 LEU N N 71 120.841 120.841 119.993 0.848 18221
3561 1 7 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.852 0.085 18221
3562 1 7 . 1 1 80 80 LEU C C 71 179.234 179.234 178.971 0.263 18221
3563 1 7 . 1 1 80 80 LEU CA C 71 57.845 57.845 57.965 -0.120 18221
3564 1 7 . 1 1 80 80 LEU CB C 71 40.019 40.019 40.765 -0.746 18221
3565 1 7 . 1 1 80 80 LEU H H 71 8.190 8.190 8.321 -0.131 18221
3566 1 7 . 1 1 81 81 GLN N N 72 117.558 117.558 118.245 -0.687 18221
3567 1 7 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.931 0.038 18221
3568 1 7 . 1 1 81 81 GLN C C 72 178.530 178.530 178.876 -0.346 18221
3569 1 7 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.301 -0.482 18221
3570 1 7 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.660 -1.380 18221
3571 1 7 . 1 1 81 81 GLN H H 72 8.489 8.489 8.430 0.059 18221
3572 1 7 . 1 1 82 82 SER N N 73 116.103 116.103 115.460 0.643 18221
3573 1 7 . 1 1 82 82 SER HA H 73 4.233 4.233 4.189 0.044 18221
3574 1 7 . 1 1 82 82 SER C C 73 177.243 177.243 176.986 0.257 18221
3575 1 7 . 1 1 82 82 SER CA C 73 61.044 61.044 61.983 -0.939 18221
3576 1 7 . 1 1 82 82 SER CB C 73 62.257 62.257 63.201 -0.944 18221
3577 1 7 . 1 1 82 82 SER H H 73 7.855 7.855 8.097 -0.242 18221
3578 1 7 . 1 1 83 83 VAL N N 74 120.362 120.362 121.208 -0.846 18221
3579 1 7 . 1 1 83 83 VAL C C 74 177.979 177.979 177.748 0.231 18221
3580 1 7 . 1 1 83 83 VAL CA C 74 65.106 65.106 66.323 -1.217 18221
3581 1 7 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.171 -0.430 18221
3582 1 7 . 1 1 83 83 VAL H H 74 8.030 8.030 8.285 -0.255 18221
3583 1 7 . 1 1 84 84 GLY N N 75 108.223 108.223 106.372 1.851 18221
3584 1 7 . 1 1 84 84 GLY C C 75 174.913 174.913 175.630 -0.717 18221
3585 1 7 . 1 1 84 84 GLY CA C 75 46.777 46.777 46.997 -0.220 18221
3586 1 7 . 1 1 84 84 GLY H H 75 8.369 8.369 7.937 0.432 18221
3587 1 7 . 1 1 85 85 ALA N N 76 123.550 123.550 124.576 -1.026 18221
3588 1 7 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.179 -0.085 18221
3589 1 7 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.616 -0.018 18221
3590 1 7 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.351 -0.728 18221
3591 1 7 . 1 1 85 85 ALA H H 76 8.115 8.115 8.066 0.049 18221
3592 1 7 . 1 1 86 86 ALA N N 77 120.410 120.410 122.556 -2.146 18221
3593 1 7 . 1 1 86 86 ALA C C 77 178.988 178.988 179.515 -0.527 18221
3594 1 7 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.103 -0.267 18221
3595 1 7 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.975 -0.465 18221
3596 1 7 . 1 1 86 86 ALA H H 77 8.632 8.632 8.172 0.460 18221
3597 1 7 . 1 1 87 87 GLY N N 78 105.706 105.706 106.933 -1.227 18221
3598 1 7 . 1 1 87 87 GLY C C 78 175.939 175.939 175.883 0.056 18221
3599 1 7 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.777 -0.659 18221
3600 1 7 . 1 1 87 87 GLY H H 78 8.196 8.196 7.941 0.255 18221
3601 1 7 . 1 1 88 88 LEU N N 79 124.128 124.128 122.264 1.864 18221
3602 1 7 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.689 -0.287 18221
3603 1 7 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.977 -1.590 18221
3604 1 7 . 1 1 88 88 LEU H H 79 8.449 8.449 8.176 0.273 18221
3605 1 7 . 1 1 89 89 SER N N 80 116.251 116.251 115.669 0.582 18221
3606 1 7 . 1 1 89 89 SER C C 80 179.153 179.153 175.927 3.226 18221
3607 1 7 . 1 1 89 89 SER CA C 80 61.023 61.023 62.723 -1.700 18221
3608 1 7 . 1 1 89 89 SER CB C 80 62.255 62.255 62.803 -0.548 18221
3609 1 7 . 1 1 89 89 SER H H 80 8.120 8.120 8.329 -0.209 18221
3610 1 7 . 1 1 90 90 VAL N N 81 119.310 119.310 120.925 -1.615 18221
3611 1 7 . 1 1 90 90 VAL C C 81 177.652 177.652 177.403 0.249 18221
3612 1 7 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.833 -0.757 18221
3613 1 7 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.796 -0.466 18221
3614 1 7 . 1 1 90 90 VAL H H 81 7.955 7.955 7.929 0.026 18221
3615 1 7 . 1 1 91 91 THR N N 82 115.535 115.535 116.748 -1.213 18221
3616 1 7 . 1 1 91 91 THR C C 82 176.571 176.571 176.590 -0.019 18221
3617 1 7 . 1 1 91 91 THR CA C 82 66.434 66.434 67.461 -1.027 18221
3618 1 7 . 1 1 91 91 THR CB C 82 67.742 67.742 68.489 -0.747 18221
3619 1 7 . 1 1 91 91 THR H H 82 7.888 7.888 8.359 -0.471 18221
3620 1 7 . 1 1 92 92 SER N N 83 116.537 116.537 117.881 -1.344 18221
3621 1 7 . 1 1 92 92 SER HA H 83 4.040 4.040 3.768 0.272 18221
3622 1 7 . 1 1 92 92 SER C C 83 176.761 176.761 176.342 0.419 18221
3623 1 7 . 1 1 92 92 SER CA C 83 61.564 61.564 62.080 -0.516 18221
3624 1 7 . 1 1 92 92 SER CB C 83 62.009 62.009 62.570 -0.561 18221
3625 1 7 . 1 1 92 92 SER H H 83 8.212 8.212 7.930 0.282 18221
3626 1 7 . 1 1 93 93 LYS N N 84 122.353 122.353 121.318 1.035 18221
3627 1 7 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.917 0.202 18221
3628 1 7 . 1 1 93 93 LYS C C 84 172.812 172.812 179.187 -6.375 18221
3629 1 7 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.592 -1.157 18221
3630 1 7 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.454 -0.977 18221
3631 1 7 . 1 1 93 93 LYS H H 84 7.642 7.642 8.294 -0.652 18221
3632 1 7 . 1 1 94 94 VAL N N 85 119.348 119.348 118.508 0.840 18221
3633 1 7 . 1 1 94 94 VAL C C 85 177.948 177.948 176.886 1.062 18221
3634 1 7 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.336 0.053 18221
3635 1 7 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.743 0.103 18221
3636 1 7 . 1 1 94 94 VAL H H 85 8.414 8.414 7.706 0.708 18221
3637 1 7 . 1 1 95 95 ILE N N 86 118.769 118.769 116.974 1.795 18221
3638 1 7 . 1 1 95 95 ILE C C 86 177.972 177.972 176.521 1.451 18221
3639 1 7 . 1 1 95 95 ILE CA C 86 63.837 63.837 62.961 0.876 18221
3640 1 7 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.573 -1.941 18221
3641 1 7 . 1 1 95 95 ILE H H 86 8.169 8.169 7.727 0.442 18221
3642 1 7 . 1 1 96 96 GLY N N 87 107.955 107.955 105.453 2.502 18221
3643 1 7 . 1 1 96 96 GLY C C 87 176.571 176.571 174.241 2.330 18221
3644 1 7 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.534 1.977 18221
3645 1 7 . 1 1 96 96 GLY H H 87 8.182 8.182 8.278 -0.096 18221
3646 1 7 . 1 1 97 97 GLY N N 88 109.117 109.117 114.398 -5.281 18221
3647 1 7 . 1 1 97 97 GLY C C 88 175.524 175.524 174.148 1.376 18221
3648 1 7 . 1 1 97 97 GLY CA C 88 45.832 45.832 46.901 -1.069 18221
3649 1 7 . 1 1 97 97 GLY H H 88 7.953 7.953 8.682 -0.729 18221
3650 1 7 . 1 1 98 98 PHE N N 89 121.100 121.100 118.352 2.748 18221
3651 1 7 . 1 1 98 98 PHE C C 89 176.367 176.367 174.746 1.621 18221
3652 1 7 . 1 1 98 98 PHE CA C 89 56.900 56.900 58.670 -1.770 18221
3653 1 7 . 1 1 98 98 PHE CB C 89 38.832 38.832 39.910 -1.078 18221
3654 1 7 . 1 1 98 98 PHE H H 89 8.000 8.000 8.299 -0.299 18221
3655 1 7 . 1 1 99 99 ALA N N 90 122.834 122.834 122.626 0.208 18221
3656 1 7 . 1 1 99 99 ALA C C 90 178.348 178.348 178.257 0.091 18221
3657 1 7 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.203 3.074 18221
3658 1 7 . 1 1 99 99 ALA CB C 90 17.414 17.414 19.329 -1.915 18221
3659 1 7 . 1 1 99 99 ALA H H 90 8.322 8.322 8.038 0.284 18221
3660 1 7 . 1 1 100 100 GLY N N 91 106.688 106.688 109.151 -2.463 18221
3661 1 7 . 1 1 100 100 GLY C C 91 175.878 175.878 175.348 0.530 18221
3662 1 7 . 1 1 100 100 GLY CA C 91 45.626 45.626 46.376 -0.750 18221
3663 1 7 . 1 1 100 100 GLY H H 91 8.000 8.000 8.355 -0.355 18221
3664 1 7 . 1 1 101 101 THR N N 92 115.689 115.689 119.680 -3.991 18221
3665 1 7 . 1 1 101 101 THR C C 92 178.476 178.476 172.701 5.775 18221
3666 1 7 . 1 1 101 101 THR CA C 92 63.364 63.364 63.415 -0.051 18221
3667 1 7 . 1 1 101 101 THR CB C 92 69.619 69.619 67.002 2.617 18221
3668 1 7 . 1 1 101 101 THR H H 92 7.754 7.754 8.099 -0.345 18221
3669 1 7 . 1 1 102 102 ALA N N 93 124.835 124.835 128.832 -3.997 18221
3670 1 7 . 1 1 102 102 ALA CA C 93 54.311 54.311 50.609 3.702 18221
3671 1 7 . 1 1 102 102 ALA CB C 93 17.679 17.679 21.790 -4.111 18221
3672 1 7 . 1 1 102 102 ALA H H 93 7.919 7.919 7.754 0.165 18221
3673 1 7 . 1 1 103 103 LEU N N 94 117.445 117.445 120.096 -2.651 18221
3674 1 7 . 1 1 103 103 LEU CA C 94 56.782 56.782 56.762 0.020 18221
3675 1 7 . 1 1 103 103 LEU CB C 94 40.902 40.902 42.294 -1.392 18221
3676 1 7 . 1 1 103 103 LEU H H 94 8.037 8.037 8.271 -0.234 18221
3677 1 7 . 1 1 104 104 GLY N N 95 106.296 106.296 113.412 -7.116 18221
3678 1 7 . 1 1 104 104 GLY C C 95 175.851 175.851 172.707 3.144 18221
3679 1 7 . 1 1 104 104 GLY CA C 95 46.570 46.570 45.682 0.888 18221
3680 1 7 . 1 1 104 104 GLY H H 95 7.900 7.900 8.590 -0.690 18221
3681 1 7 . 1 1 105 105 ALA N N 96 123.872 123.872 123.250 0.622 18221
3682 1 7 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.294 1.832 18221
3683 1 7 . 1 1 105 105 ALA CB C 96 17.587 17.587 18.422 -0.835 18221
3684 1 7 . 1 1 105 105 ALA H H 96 7.804 7.804 8.343 -0.539 18221
3685 1 7 . 1 1 106 106 TRP N N 97 120.348 120.348 124.565 -4.217 18221
3686 1 7 . 1 1 106 106 TRP C C 97 176.857 176.857 175.081 1.776 18221
3687 1 7 . 1 1 106 106 TRP CA C 97 56.900 56.900 57.632 -0.732 18221
3688 1 7 . 1 1 106 106 TRP H H 97 8.385 8.385 7.986 0.399 18221
3689 1 7 . 1 1 107 107 LEU N N 98 117.756 117.756 123.041 -5.285 18221
3690 1 7 . 1 1 107 107 LEU C C 98 177.659 177.659 176.189 1.470 18221
3691 1 7 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.698 -0.595 18221
3692 1 7 . 1 1 107 107 LEU CB C 98 41.418 41.418 41.155 0.263 18221
3693 1 7 . 1 1 107 107 LEU H H 98 7.880 7.880 8.557 -0.677 18221
3694 1 7 . 1 1 108 108 GLY N N 99 107.285 107.285 110.819 -3.534 18221
3695 1 7 . 1 1 108 108 GLY C C 99 173.815 173.815 172.387 1.428 18221
3696 1 7 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.845 0.102 18221
3697 1 7 . 1 1 108 108 GLY H H 99 7.694 7.694 8.405 -0.711 18221
3698 1 7 . 1 1 109 109 SER N N 100 117.139 117.139 115.961 1.178 18221
3699 1 7 . 1 1 109 109 SER C C 100 172.179 172.179 173.236 -1.057 18221
3700 1 7 . 1 1 109 109 SER CA C 100 56.015 56.015 55.678 0.337 18221
3701 1 7 . 1 1 109 109 SER CB C 100 62.771 62.771 63.882 -1.111 18221
3702 1 7 . 1 1 109 109 SER H H 100 8.030 8.030 8.341 -0.311 18221
3703 1 7 . 1 1 111 111 PRO C C 102 177.073 177.073 175.646 1.427 18221
3704 1 7 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.135 -0.935 18221
3705 1 7 . 1 1 111 111 PRO CB C 102 31.211 31.211 30.932 0.279 18221
3706 1 7 . 1 1 112 112 SER N N 103 117.115 117.115 119.639 -2.524 18221
3707 1 7 . 1 1 112 112 SER C C 103 173.898 173.898 173.931 -0.033 18221
3708 1 7 . 1 1 112 112 SER CA C 103 57.904 57.904 58.153 -0.249 18221
3709 1 7 . 1 1 112 112 SER CB C 103 63.360 63.360 63.929 -0.569 18221
3710 1 7 . 1 1 112 112 SER H H 103 8.345 8.345 8.342 0.003 18221
3711 1 8 . 1 1 11 11 GLY N N 2 109.366 109.366 112.713 -3.347 18221
3712 1 8 . 1 1 11 11 GLY C C 2 174.543 174.543 173.413 1.130 18221
3713 1 8 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.624 0.071 18221
3714 1 8 . 1 1 11 11 GLY H H 2 8.271 8.271 8.656 -0.385 18221
3715 1 8 . 1 1 12 12 LYS N N 3 121.129 121.129 122.011 -0.882 18221
3716 1 8 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.549 -0.417 18221
3717 1 8 . 1 1 12 12 LYS C C 3 177.234 177.234 175.336 1.898 18221
3718 1 8 . 1 1 12 12 LYS CA C 3 56.812 56.812 55.613 1.199 18221
3719 1 8 . 1 1 12 12 LYS CB C 3 31.846 31.846 33.841 -1.995 18221
3720 1 8 . 1 1 12 12 LYS H H 3 8.057 8.057 8.104 -0.047 18221
3721 1 8 . 1 1 13 13 GLU N N 4 120.318 120.318 122.730 -2.412 18221
3722 1 8 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.209 -0.054 18221
3723 1 8 . 1 1 13 13 GLU C C 4 176.857 176.857 176.359 0.498 18221
3724 1 8 . 1 1 13 13 GLU CA C 4 56.871 56.871 57.184 -0.313 18221
3725 1 8 . 1 1 13 13 GLU CB C 4 28.388 28.388 29.552 -1.164 18221
3726 1 8 . 1 1 13 13 GLU H H 4 8.398 8.398 8.534 -0.136 18221
3727 1 8 . 1 1 14 14 SER N N 5 115.504 115.504 119.378 -3.874 18221
3728 1 8 . 1 1 14 14 SER HA H 5 3.843 3.843 4.294 -0.451 18221
3729 1 8 . 1 1 14 14 SER C C 5 175.337 175.337 174.967 0.370 18221
3730 1 8 . 1 1 14 14 SER CA C 5 58.524 58.524 58.432 0.092 18221
3731 1 8 . 1 1 14 14 SER CB C 5 63.360 63.360 63.143 0.217 18221
3732 1 8 . 1 1 14 14 SER H H 5 8.089 8.089 8.851 -0.762 18221
3733 1 8 . 1 1 15 15 GLY N N 6 110.761 110.761 114.960 -4.199 18221
3734 1 8 . 1 1 15 15 GLY C C 6 174.581 174.581 174.389 0.192 18221
3735 1 8 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.159 0.407 18221
3736 1 8 . 1 1 15 15 GLY H H 6 8.197 8.197 8.828 -0.631 18221
3737 1 8 . 1 1 16 16 TRP N N 7 121.800 121.800 122.781 -0.981 18221
3738 1 8 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.326 0.234 18221
3739 1 8 . 1 1 16 16 TRP C C 7 176.920 176.920 174.820 2.100 18221
3740 1 8 . 1 1 16 16 TRP CA C 7 58.081 58.081 57.451 0.630 18221
3741 1 8 . 1 1 16 16 TRP CB C 7 28.679 28.679 28.588 0.091 18221
3742 1 8 . 1 1 16 16 TRP H H 7 8.184 8.184 8.082 0.102 18221
3743 1 8 . 1 1 17 17 ASP N N 8 121.132 121.132 122.024 -0.892 18221
3744 1 8 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.413 -0.018 18221
3745 1 8 . 1 1 17 17 ASP C C 8 176.941 176.941 175.646 1.295 18221
3746 1 8 . 1 1 17 17 ASP CA C 8 56.244 56.244 54.704 1.540 18221
3747 1 8 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.007 -1.062 18221
3748 1 8 . 1 1 17 17 ASP H H 8 8.332 8.332 8.170 0.162 18221
3749 1 8 . 1 1 18 18 SER N N 9 116.148 116.148 117.272 -1.124 18221
3750 1 8 . 1 1 18 18 SER HA H 9 3.861 3.861 4.271 -0.410 18221
3751 1 8 . 1 1 18 18 SER CA C 9 60.081 60.081 59.122 0.959 18221
3752 1 8 . 1 1 18 18 SER CB C 9 62.255 62.255 63.995 -1.740 18221
3753 1 8 . 1 1 18 18 SER H H 9 8.129 8.129 8.300 -0.171 18221
3754 1 8 . 1 1 19 19 GLY N N 10 110.747 110.747 110.948 -0.201 18221
3755 1 8 . 1 1 19 19 GLY C C 10 174.682 174.682 175.954 -1.272 18221
3756 1 8 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.785 0.815 18221
3757 1 8 . 1 1 19 19 GLY H H 10 8.216 8.216 8.451 -0.235 18221
3758 1 8 . 1 1 20 20 ARG N N 11 121.405 121.405 120.329 1.076 18221
3759 1 8 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.225 -0.368 18221
3760 1 8 . 1 1 20 20 ARG C C 11 178.328 178.328 179.107 -0.779 18221
3761 1 8 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.290 0.795 18221
3762 1 8 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.183 -1.136 18221
3763 1 8 . 1 1 20 20 ARG H H 11 8.158 8.158 8.528 -0.370 18221
3764 1 8 . 1 1 21 21 ALA N N 12 122.167 122.167 122.904 -0.737 18221
3765 1 8 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.086 0.014 18221
3766 1 8 . 1 1 21 21 ALA C C 12 180.129 180.129 179.535 0.594 18221
3767 1 8 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.764 -0.372 18221
3768 1 8 . 1 1 21 21 ALA CB C 12 17.414 17.414 18.057 -0.643 18221
3769 1 8 . 1 1 21 21 ALA H H 12 7.963 7.963 8.339 -0.376 18221
3770 1 8 . 1 1 22 22 ALA N N 13 122.150 122.150 121.446 0.704 18221
3771 1 8 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.917 0.119 18221
3772 1 8 . 1 1 22 22 ALA C C 13 179.095 179.095 179.728 -0.633 18221
3773 1 8 . 1 1 22 22 ALA CA C 13 54.716 54.716 55.032 -0.316 18221
3774 1 8 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.124 -0.563 18221
3775 1 8 . 1 1 22 22 ALA H H 13 7.881 7.881 8.275 -0.394 18221
3776 1 8 . 1 1 23 23 VAL N N 14 117.107 117.107 118.593 -1.486 18221
3777 1 8 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.599 -0.119 18221
3778 1 8 . 1 1 23 23 VAL C C 14 177.586 177.586 178.271 -0.685 18221
3779 1 8 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.855 0.343 18221
3780 1 8 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.708 -0.188 18221
3781 1 8 . 1 1 23 23 VAL H H 14 7.888 7.888 8.125 -0.237 18221
3782 1 8 . 1 1 24 24 ALA N N 15 121.333 121.333 121.979 -0.646 18221
3783 1 8 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.974 0.007 18221
3784 1 8 . 1 1 24 24 ALA C C 15 180.373 180.373 179.387 0.986 18221
3785 1 8 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.225 -0.214 18221
3786 1 8 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.846 -0.594 18221
3787 1 8 . 1 1 24 24 ALA H H 15 8.037 8.037 7.700 0.337 18221
3788 1 8 . 1 1 25 25 ALA N N 16 121.158 121.158 120.526 0.632 18221
3789 1 8 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.170 -0.024 18221
3790 1 8 . 1 1 25 25 ALA C C 16 179.828 179.828 179.079 0.749 18221
3791 1 8 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.800 -0.349 18221
3792 1 8 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.369 -0.882 18221
3793 1 8 . 1 1 25 25 ALA H H 16 7.819 7.819 7.808 0.011 18221
3794 1 8 . 1 1 26 26 VAL N N 17 118.417 118.417 115.950 2.467 18221
3795 1 8 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.933 -0.155 18221
3796 1 8 . 1 1 26 26 VAL C C 17 178.020 178.020 176.666 1.354 18221
3797 1 8 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.924 1.654 18221
3798 1 8 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.592 -0.507 18221
3799 1 8 . 1 1 26 26 VAL H H 17 7.848 7.848 7.834 0.014 18221
3800 1 8 . 1 1 27 27 VAL N N 18 119.240 119.240 119.226 0.014 18221
3801 1 8 . 1 1 27 27 VAL C C 18 177.719 177.719 176.776 0.943 18221
3802 1 8 . 1 1 27 27 VAL CA C 18 65.991 65.991 63.686 2.305 18221
3803 1 8 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.300 -2.114 18221
3804 1 8 . 1 1 27 27 VAL H H 18 8.377 8.377 7.454 0.923 18221
3805 1 8 . 1 1 28 28 GLY N N 19 106.009 106.009 106.627 -0.618 18221
3806 1 8 . 1 1 28 28 GLY C C 19 176.212 176.212 174.434 1.778 18221
3807 1 8 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.579 -0.335 18221
3808 1 8 . 1 1 28 28 GLY H H 19 8.122 8.122 7.953 0.169 18221
3809 1 8 . 1 1 29 29 GLY N N 20 110.216 110.216 111.854 -1.638 18221
3810 1 8 . 1 1 29 29 GLY C C 20 174.097 174.097 175.387 -1.290 18221
3811 1 8 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.625 1.709 18221
3812 1 8 . 1 1 29 29 GLY H H 20 8.039 8.039 7.967 0.072 18221
3813 1 8 . 1 1 30 30 VAL N N 21 121.188 121.188 118.735 2.453 18221
3814 1 8 . 1 1 30 30 VAL C C 21 177.073 177.073 177.170 -0.097 18221
3815 1 8 . 1 1 30 30 VAL CA C 21 62.574 62.574 65.440 -2.866 18221
3816 1 8 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.306 -0.516 18221
3817 1 8 . 1 1 30 30 VAL H H 21 7.983 7.983 7.959 0.024 18221
3818 1 8 . 1 1 32 32 ALA N N 23 125.091 125.091 120.829 4.262 18221
3819 1 8 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.098 0.162 18221
3820 1 8 . 1 1 32 32 ALA C C 23 179.523 179.523 180.027 -0.504 18221
3821 1 8 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.058 -1.375 18221
3822 1 8 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.006 -1.623 18221
3823 1 8 . 1 1 32 32 ALA H H 23 8.036 8.036 8.217 -0.181 18221
3824 1 8 . 1 1 33 33 VAL N N 24 118.793 118.793 117.905 0.888 18221
3825 1 8 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.626 0.082 18221
3826 1 8 . 1 1 33 33 VAL C C 24 177.901 177.901 178.211 -0.310 18221
3827 1 8 . 1 1 33 33 VAL CA C 24 65.430 65.430 66.787 -1.357 18221
3828 1 8 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.476 -0.158 18221
3829 1 8 . 1 1 33 33 VAL H H 24 8.195 8.195 8.087 0.108 18221
3830 1 8 . 1 1 34 34 GLY N N 25 108.367 108.367 107.952 0.415 18221
3831 1 8 . 1 1 34 34 GLY C C 25 175.424 175.424 175.999 -0.575 18221
3832 1 8 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.518 -0.184 18221
3833 1 8 . 1 1 34 34 GLY H H 25 8.651 8.651 8.353 0.298 18221
3834 1 8 . 1 1 35 35 THR N N 26 116.448 116.448 119.379 -2.931 18221
3835 1 8 . 1 1 35 35 THR C C 26 176.843 176.843 177.053 -0.210 18221
3836 1 8 . 1 1 35 35 THR CA C 26 65.962 65.962 66.382 -0.420 18221
3837 1 8 . 1 1 35 35 THR CB C 26 68.414 68.414 68.582 -0.167 18221
3838 1 8 . 1 1 35 35 THR H H 26 7.975 7.975 8.308 -0.333 18221
3839 1 8 . 1 1 36 36 VAL N N 27 122.810 122.810 120.663 2.147 18221
3840 1 8 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.723 -0.004 18221
3841 1 8 . 1 1 36 36 VAL C C 27 177.618 177.618 177.750 -0.132 18221
3842 1 8 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.058 -0.332 18221
3843 1 8 . 1 1 36 36 VAL CB C 27 30.667 30.667 30.748 -0.081 18221
3844 1 8 . 1 1 36 36 VAL H H 27 7.559 7.559 8.062 -0.503 18221
3845 1 8 . 1 1 37 37 LEU N N 28 119.566 119.566 120.546 -0.980 18221
3846 1 8 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.965 -0.012 18221
3847 1 8 . 1 1 37 37 LEU C C 28 179.666 179.666 179.323 0.343 18221
3848 1 8 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.176 -0.331 18221
3849 1 8 . 1 1 37 37 LEU CB C 28 40.166 40.166 40.605 -0.439 18221
3850 1 8 . 1 1 37 37 LEU H H 28 8.086 8.086 7.923 0.163 18221
3851 1 8 . 1 1 38 38 VAL N N 29 119.468 119.468 119.268 0.200 18221
3852 1 8 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.678 -0.025 18221
3853 1 8 . 1 1 38 38 VAL C C 29 178.639 178.639 178.384 0.255 18221
3854 1 8 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.846 -1.373 18221
3855 1 8 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.143 -0.534 18221
3856 1 8 . 1 1 38 38 VAL H H 29 8.066 8.066 8.272 -0.206 18221
3857 1 8 . 1 1 39 39 ALA N N 30 124.255 124.255 122.870 1.385 18221
3858 1 8 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.089 0.076 18221
3859 1 8 . 1 1 39 39 ALA C C 30 180.303 180.303 180.126 0.177 18221
3860 1 8 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.313 -0.479 18221
3861 1 8 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.147 -0.439 18221
3862 1 8 . 1 1 39 39 ALA H H 30 7.688 7.688 8.041 -0.353 18221
3863 1 8 . 1 1 40 40 LEU N N 31 118.268 118.268 119.168 -0.900 18221
3864 1 8 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.103 0.038 18221
3865 1 8 . 1 1 40 40 LEU C C 31 179.271 179.271 178.685 0.586 18221
3866 1 8 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.542 -0.464 18221
3867 1 8 . 1 1 40 40 LEU CB C 31 40.902 40.902 41.345 -0.443 18221
3868 1 8 . 1 1 40 40 LEU H H 31 8.326 8.326 8.083 0.243 18221
3869 1 8 . 1 1 41 41 SER N N 32 114.984 114.984 114.308 0.676 18221
3870 1 8 . 1 1 41 41 SER HA H 32 3.952 3.952 4.088 -0.136 18221
3871 1 8 . 1 1 41 41 SER C C 32 176.284 176.284 176.753 -0.469 18221
3872 1 8 . 1 1 41 41 SER CA C 32 60.885 60.885 61.209 -0.324 18221
3873 1 8 . 1 1 41 41 SER CB C 32 62.410 62.410 63.098 -0.688 18221
3874 1 8 . 1 1 41 41 SER H H 32 8.062 8.062 8.197 -0.135 18221
3875 1 8 . 1 1 42 42 ALA N N 33 124.588 124.588 124.817 -0.229 18221
3876 1 8 . 1 1 42 42 ALA HA H 33 4.225 4.225 3.994 0.231 18221
3877 1 8 . 1 1 42 42 ALA C C 33 179.033 179.033 179.475 -0.442 18221
3878 1 8 . 1 1 42 42 ALA CA C 33 53.713 53.713 54.604 -0.891 18221
3879 1 8 . 1 1 42 42 ALA CB C 33 17.929 17.929 18.515 -0.586 18221
3880 1 8 . 1 1 42 42 ALA H H 33 7.813 7.813 8.368 -0.555 18221
3881 1 8 . 1 1 43 43 MET N N 34 116.808 116.808 117.365 -0.557 18221
3882 1 8 . 1 1 43 43 MET HA H 34 4.285 4.285 4.397 -0.112 18221
3883 1 8 . 1 1 43 43 MET C C 34 176.807 176.807 175.453 1.354 18221
3884 1 8 . 1 1 43 43 MET CA C 34 56.576 56.576 54.744 1.832 18221
3885 1 8 . 1 1 43 43 MET CB C 34 32.435 32.435 31.059 1.376 18221
3886 1 8 . 1 1 43 43 MET H H 34 7.691 7.691 7.799 -0.108 18221
3887 1 8 . 1 1 44 44 GLY N N 35 107.020 107.020 108.555 -1.535 18221
3888 1 8 . 1 1 44 44 GLY C C 35 174.493 174.493 173.894 0.599 18221
3889 1 8 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.710 -0.645 18221
3890 1 8 . 1 1 44 44 GLY H H 35 7.793 7.793 7.873 -0.080 18221
3891 1 8 . 1 1 45 45 PHE N N 36 120.285 120.285 121.160 -0.875 18221
3892 1 8 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.606 -0.099 18221
3893 1 8 . 1 1 45 45 PHE C C 36 176.876 176.876 174.281 2.595 18221
3894 1 8 . 1 1 45 45 PHE CA C 36 58.937 58.937 58.388 0.549 18221
3895 1 8 . 1 1 45 45 PHE CB C 36 38.178 38.178 40.044 -1.865 18221
3896 1 8 . 1 1 45 45 PHE H H 36 8.215 8.215 8.015 0.200 18221
3897 1 8 . 1 1 46 46 THR N N 37 114.008 114.008 114.990 -0.982 18221
3898 1 8 . 1 1 46 46 THR HA H 37 4.080 4.080 4.072 0.008 18221
3899 1 8 . 1 1 46 46 THR C C 37 175.751 175.751 173.955 1.796 18221
3900 1 8 . 1 1 46 46 THR CA C 37 64.220 64.220 63.434 0.785 18221
3901 1 8 . 1 1 46 46 THR CB C 37 68.514 68.514 69.157 -0.643 18221
3902 1 8 . 1 1 46 46 THR H H 37 8.111 8.111 7.946 0.165 18221
3903 1 8 . 1 1 47 47 SER N N 38 116.646 116.646 116.292 0.354 18221
3904 1 8 . 1 1 47 47 SER HA H 38 3.918 3.918 4.659 -0.741 18221
3905 1 8 . 1 1 47 47 SER C C 38 176.744 176.744 174.513 2.231 18221
3906 1 8 . 1 1 47 47 SER CA C 38 59.911 59.911 58.884 1.027 18221
3907 1 8 . 1 1 47 47 SER CB C 38 62.624 62.624 64.762 -2.138 18221
3908 1 8 . 1 1 47 47 SER H H 38 8.079 8.079 8.425 -0.346 18221
3909 1 8 . 1 1 48 48 VAL N N 39 121.929 121.929 119.977 1.952 18221
3910 1 8 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.694 0.215 18221
3911 1 8 . 1 1 48 48 VAL C C 39 177.033 177.033 176.747 0.286 18221
3912 1 8 . 1 1 48 48 VAL CA C 39 64.988 64.988 64.175 0.813 18221
3913 1 8 . 1 1 48 48 VAL CB C 39 30.667 30.667 30.637 0.030 18221
3914 1 8 . 1 1 48 48 VAL H H 39 7.985 7.985 7.974 0.011 18221
3915 1 8 . 1 1 49 49 GLY N N 40 108.633 108.633 107.152 1.481 18221
3916 1 8 . 1 1 49 49 GLY C C 40 176.038 176.038 176.324 -0.286 18221
3917 1 8 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.630 -0.765 18221
3918 1 8 . 1 1 49 49 GLY H H 40 8.267 8.267 8.668 -0.401 18221
3919 1 8 . 1 1 50 50 ILE N N 41 122.466 122.466 122.360 0.106 18221
3920 1 8 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.587 0.284 18221
3921 1 8 . 1 1 50 50 ILE C C 41 178.363 178.363 177.780 0.583 18221
3922 1 8 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.761 -1.246 18221
3923 1 8 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.730 -0.492 18221
3924 1 8 . 1 1 50 50 ILE H H 41 7.865 7.865 7.708 0.157 18221
3925 1 8 . 1 1 51 51 ALA N N 42 125.064 125.064 121.966 3.098 18221
3926 1 8 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.906 0.193 18221
3927 1 8 . 1 1 51 51 ALA C C 42 179.385 179.385 179.112 0.273 18221
3928 1 8 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.055 -0.575 18221
3929 1 8 . 1 1 51 51 ALA CB C 42 17.487 17.487 18.069 -0.582 18221
3930 1 8 . 1 1 51 51 ALA H H 42 7.930 7.930 7.898 0.032 18221
3931 1 8 . 1 1 52 52 ALA N N 43 120.594 120.594 120.209 0.385 18221
3932 1 8 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.020 -0.083 18221
3933 1 8 . 1 1 52 52 ALA C C 43 179.088 179.088 179.892 -0.804 18221
3934 1 8 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.861 0.239 18221
3935 1 8 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.011 -0.376 18221
3936 1 8 . 1 1 52 52 ALA H H 43 8.639 8.639 8.171 0.468 18221
3937 1 8 . 1 1 53 53 SER N N 44 113.012 113.012 115.137 -2.125 18221
3938 1 8 . 1 1 53 53 SER HA H 44 3.966 3.966 4.194 -0.228 18221
3939 1 8 . 1 1 53 53 SER C C 44 176.898 176.898 176.578 0.320 18221
3940 1 8 . 1 1 53 53 SER CA C 44 61.139 61.139 62.269 -1.130 18221
3941 1 8 . 1 1 53 53 SER CB C 44 62.347 62.347 63.106 -0.759 18221
3942 1 8 . 1 1 53 53 SER H H 44 8.193 8.193 8.195 -0.002 18221
3943 1 8 . 1 1 54 54 SER N N 45 118.714 118.714 117.685 1.029 18221
3944 1 8 . 1 1 54 54 SER HA H 45 3.975 3.975 4.159 -0.184 18221
3945 1 8 . 1 1 54 54 SER C C 45 177.131 177.131 176.624 0.507 18221
3946 1 8 . 1 1 54 54 SER CA C 45 61.210 61.210 61.570 -0.360 18221
3947 1 8 . 1 1 54 54 SER CB C 45 62.255 62.255 62.832 -0.577 18221
3948 1 8 . 1 1 54 54 SER H H 45 7.944 7.944 8.106 -0.162 18221
3949 1 8 . 1 1 55 55 ILE N N 46 122.912 122.912 120.811 2.101 18221
3950 1 8 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.793 -0.036 18221
3951 1 8 . 1 1 55 55 ILE C C 46 177.813 177.813 177.743 0.070 18221
3952 1 8 . 1 1 55 55 ILE CA C 46 64.191 64.191 63.663 0.528 18221
3953 1 8 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.024 -0.098 18221
3954 1 8 . 1 1 55 55 ILE H H 46 8.028 8.028 8.040 -0.012 18221
3955 1 8 . 1 1 56 56 ALA N N 47 122.990 122.990 122.826 0.164 18221
3956 1 8 . 1 1 56 56 ALA HA H 47 3.956 3.956 3.976 -0.020 18221
3957 1 8 . 1 1 56 56 ALA C C 47 180.294 180.294 179.186 1.108 18221
3958 1 8 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.364 -0.026 18221
3959 1 8 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.729 -1.027 18221
3960 1 8 . 1 1 56 56 ALA H H 47 8.333 8.333 7.902 0.431 18221
3961 1 8 . 1 1 57 57 ALA N N 48 121.988 121.988 122.028 -0.040 18221
3962 1 8 . 1 1 57 57 ALA HA H 48 4.068 4.068 3.920 0.148 18221
3963 1 8 . 1 1 57 57 ALA CA C 48 54.421 54.421 53.414 1.007 18221
3964 1 8 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.052 -1.350 18221
3965 1 8 . 1 1 57 57 ALA H H 48 7.879 7.879 8.143 -0.264 18221
3966 1 8 . 1 1 58 58 LYS N N 49 119.094 119.094 116.335 2.759 18221
3967 1 8 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.912 0.234 18221
3968 1 8 . 1 1 58 58 LYS C C 49 179.649 179.649 175.340 4.309 18221
3969 1 8 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.976 0.181 18221
3970 1 8 . 1 1 58 58 LYS CB C 49 31.330 31.330 30.683 0.647 18221
3971 1 8 . 1 1 58 58 LYS H H 49 7.727 7.727 7.855 -0.128 18221
3972 1 8 . 1 1 59 59 MET N N 50 120.498 120.498 119.304 1.194 18221
3973 1 8 . 1 1 59 59 MET HA H 50 4.156 4.156 4.599 -0.443 18221
3974 1 8 . 1 1 59 59 MET C C 50 177.949 177.949 175.220 2.729 18221
3975 1 8 . 1 1 59 59 MET CA C 50 57.136 57.136 54.602 2.534 18221
3976 1 8 . 1 1 59 59 MET CB C 50 31.922 31.922 35.528 -3.606 18221
3977 1 8 . 1 1 59 59 MET H H 50 8.395 8.395 8.209 0.186 18221
3978 1 8 . 1 1 60 60 MET N N 51 117.689 117.689 122.939 -5.250 18221
3979 1 8 . 1 1 60 60 MET HA H 51 4.222 4.222 4.570 -0.348 18221
3980 1 8 . 1 1 60 60 MET C C 51 177.674 177.674 175.586 2.088 18221
3981 1 8 . 1 1 60 60 MET CA C 51 57.638 57.638 55.352 2.286 18221
3982 1 8 . 1 1 60 60 MET CB C 51 31.785 31.785 30.854 0.931 18221
3983 1 8 . 1 1 60 60 MET H H 51 8.234 8.234 8.644 -0.410 18221
3984 1 8 . 1 1 61 61 SER N N 52 114.385 114.385 118.986 -4.601 18221
3985 1 8 . 1 1 61 61 SER HA H 52 4.001 4.001 4.436 -0.435 18221
3986 1 8 . 1 1 61 61 SER C C 52 176.079 176.079 174.893 1.186 18221
3987 1 8 . 1 1 61 61 SER CA C 52 59.911 59.911 59.639 0.272 18221
3988 1 8 . 1 1 61 61 SER CB C 52 62.624 62.624 63.807 -1.183 18221
3989 1 8 . 1 1 61 61 SER H H 52 7.893 7.893 8.339 -0.446 18221
3990 1 8 . 1 1 62 62 THR N N 53 117.304 117.304 119.247 -1.943 18221
3991 1 8 . 1 1 62 62 THR HA H 53 4.104 4.104 4.240 -0.136 18221
3992 1 8 . 1 1 62 62 THR C C 53 175.436 175.436 173.895 1.541 18221
3993 1 8 . 1 1 62 62 THR CA C 53 64.220 64.220 63.315 0.905 18221
3994 1 8 . 1 1 62 62 THR CB C 53 68.514 68.514 68.814 -0.299 18221
3995 1 8 . 1 1 62 62 THR H H 53 7.794 7.794 8.072 -0.278 18221
3996 1 8 . 1 1 63 63 ALA N N 54 125.382 125.382 131.322 -5.940 18221
3997 1 8 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.243 -0.149 18221
3998 1 8 . 1 1 63 63 ALA C C 54 178.328 178.328 176.375 1.953 18221
3999 1 8 . 1 1 63 63 ALA CA C 54 54.096 54.096 51.978 2.118 18221
4000 1 8 . 1 1 63 63 ALA CB C 54 17.708 17.708 17.744 -0.036 18221
4001 1 8 . 1 1 63 63 ALA H H 54 8.204 8.204 8.719 -0.515 18221
4002 1 8 . 1 1 64 64 ALA N N 55 119.929 119.929 126.868 -6.939 18221
4003 1 8 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.662 -0.537 18221
4004 1 8 . 1 1 64 64 ALA C C 55 179.183 179.183 176.645 2.538 18221
4005 1 8 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.007 2.030 18221
4006 1 8 . 1 1 64 64 ALA CB C 55 17.708 17.708 19.710 -2.002 18221
4007 1 8 . 1 1 64 64 ALA H H 55 7.951 7.951 8.003 -0.052 18221
4008 1 8 . 1 1 65 65 ILE N N 56 117.016 117.016 122.097 -5.081 18221
4009 1 8 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.162 -0.212 18221
4010 1 8 . 1 1 65 65 ILE C C 56 177.222 177.222 175.265 1.957 18221
4011 1 8 . 1 1 65 65 ILE CA C 56 62.184 62.184 61.462 0.722 18221
4012 1 8 . 1 1 65 65 ILE CB C 56 37.073 37.073 36.827 0.246 18221
4013 1 8 . 1 1 65 65 ILE H H 56 7.561 7.561 8.354 -0.793 18221
4014 1 8 . 1 1 66 66 ALA N N 57 124.191 124.191 130.245 -6.054 18221
4015 1 8 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.366 -0.189 18221
4016 1 8 . 1 1 66 66 ALA C C 57 178.190 178.190 176.275 1.915 18221
4017 1 8 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.229 1.307 18221
4018 1 8 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.881 -1.952 18221
4019 1 8 . 1 1 66 66 ALA H H 57 7.982 7.982 8.101 -0.119 18221
4020 1 8 . 1 1 67 67 ASN N N 58 116.132 116.132 120.308 -4.176 18221
4021 1 8 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.490 0.183 18221
4022 1 8 . 1 1 67 67 ASN C C 58 176.344 176.344 173.974 2.370 18221
4023 1 8 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.360 0.117 18221
4024 1 8 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.437 0.035 18221
4025 1 8 . 1 1 67 67 ASN H H 58 8.113 8.113 8.673 -0.560 18221
4026 1 8 . 1 1 68 68 GLY N N 59 108.808 108.808 109.431 -0.623 18221
4027 1 8 . 1 1 68 68 GLY C C 59 174.958 174.958 172.782 2.176 18221
4028 1 8 . 1 1 68 68 GLY CA C 59 45.655 45.655 44.987 0.668 18221
4029 1 8 . 1 1 68 68 GLY H H 59 8.152 8.152 8.008 0.144 18221
4030 1 8 . 1 1 69 69 GLY N N 60 108.832 108.832 109.702 -0.870 18221
4031 1 8 . 1 1 69 69 GLY C C 60 174.631 174.631 174.517 0.114 18221
4032 1 8 . 1 1 69 69 GLY CA C 60 45.419 45.419 45.761 -0.342 18221
4033 1 8 . 1 1 69 69 GLY H H 60 8.218 8.218 8.655 -0.437 18221
4034 1 8 . 1 1 70 70 GLY N N 61 108.966 108.966 112.968 -4.002 18221
4035 1 8 . 1 1 70 70 GLY C C 61 174.594 174.594 174.193 0.401 18221
4036 1 8 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.438 0.922 18221
4037 1 8 . 1 1 70 70 GLY H H 61 8.175 8.175 7.939 0.236 18221
4038 1 8 . 1 1 71 71 VAL N N 62 120.209 120.209 118.846 1.363 18221
4039 1 8 . 1 1 71 71 VAL HA H 62 4.006 4.006 4.035 -0.029 18221
4040 1 8 . 1 1 71 71 VAL C C 62 176.077 176.077 176.403 -0.326 18221
4041 1 8 . 1 1 71 71 VAL CA C 62 62.390 62.390 61.881 0.509 18221
4042 1 8 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.211 -0.513 18221
4043 1 8 . 1 1 71 71 VAL H H 62 7.882 7.882 8.121 -0.239 18221
4044 1 8 . 1 1 72 72 ALA N N 63 126.966 126.966 121.965 5.001 18221
4045 1 8 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.056 -0.030 18221
4046 1 8 . 1 1 72 72 ALA C C 63 178.064 178.064 175.961 2.103 18221
4047 1 8 . 1 1 72 72 ALA CA C 63 52.503 52.503 52.816 -0.313 18221
4048 1 8 . 1 1 72 72 ALA CB C 63 18.225 18.225 17.935 0.290 18221
4049 1 8 . 1 1 72 72 ALA H H 63 8.237 8.237 8.325 -0.088 18221
4050 1 8 . 1 1 73 73 ALA N N 64 123.432 123.432 125.016 -1.584 18221
4051 1 8 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.500 -0.485 18221
4052 1 8 . 1 1 73 73 ALA C C 64 178.995 178.995 176.579 2.416 18221
4053 1 8 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.222 2.199 18221
4054 1 8 . 1 1 73 73 ALA CB C 64 18.003 18.003 20.406 -2.403 18221
4055 1 8 . 1 1 73 73 ALA H H 64 8.421 8.421 8.256 0.165 18221
4056 1 8 . 1 1 74 74 GLY N N 65 105.577 105.577 111.202 -5.625 18221
4057 1 8 . 1 1 74 74 GLY C C 65 176.367 176.367 174.501 1.866 18221
4058 1 8 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.979 1.265 18221
4059 1 8 . 1 1 74 74 GLY H H 65 8.448 8.448 7.691 0.757 18221
4060 1 8 . 1 1 75 75 SER N N 66 117.656 117.656 116.617 1.039 18221
4061 1 8 . 1 1 75 75 SER HA H 66 4.394 4.394 4.250 0.144 18221
4062 1 8 . 1 1 75 75 SER C C 66 176.329 176.329 176.324 0.005 18221
4063 1 8 . 1 1 75 75 SER CA C 66 60.236 60.236 60.503 -0.267 18221
4064 1 8 . 1 1 75 75 SER CB C 66 62.476 62.476 63.160 -0.684 18221
4065 1 8 . 1 1 75 75 SER H H 66 7.899 7.899 8.692 -0.793 18221
4066 1 8 . 1 1 76 76 LEU N N 67 122.743 122.743 121.206 1.537 18221
4067 1 8 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.985 0.065 18221
4068 1 8 . 1 1 76 76 LEU C C 67 178.442 178.442 178.489 -0.047 18221
4069 1 8 . 1 1 76 76 LEU CA C 67 57.520 57.520 58.200 -0.680 18221
4070 1 8 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.845 -1.164 18221
4071 1 8 . 1 1 76 76 LEU H H 67 7.955 7.955 8.035 -0.080 18221
4072 1 8 . 1 1 77 77 VAL N N 68 118.400 118.400 117.784 0.616 18221
4073 1 8 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.540 -0.069 18221
4074 1 8 . 1 1 77 77 VAL C C 68 177.297 177.297 177.409 -0.112 18221
4075 1 8 . 1 1 77 77 VAL CA C 68 66.670 66.670 65.436 1.234 18221
4076 1 8 . 1 1 77 77 VAL CB C 68 30.520 30.520 30.092 0.428 18221
4077 1 8 . 1 1 77 77 VAL H H 68 8.039 8.039 8.275 -0.236 18221
4078 1 8 . 1 1 78 78 ALA N N 69 121.927 121.927 123.040 -1.113 18221
4079 1 8 . 1 1 78 78 ALA HA H 69 4.205 4.205 3.960 0.245 18221
4080 1 8 . 1 1 78 78 ALA C C 69 181.258 181.258 179.469 1.789 18221
4081 1 8 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.338 -0.356 18221
4082 1 8 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.346 -0.932 18221
4083 1 8 . 1 1 78 78 ALA H H 69 7.631 7.631 8.231 -0.600 18221
4084 1 8 . 1 1 79 79 ILE N N 70 119.782 119.782 117.435 2.347 18221
4085 1 8 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.908 -0.112 18221
4086 1 8 . 1 1 79 79 ILE C C 70 178.253 178.253 177.681 0.572 18221
4087 1 8 . 1 1 79 79 ILE CA C 70 64.352 64.352 63.261 1.091 18221
4088 1 8 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.704 -0.631 18221
4089 1 8 . 1 1 79 79 ILE H H 70 7.841 7.841 7.702 0.139 18221
4090 1 8 . 1 1 80 80 LEU N N 71 120.841 120.841 122.418 -1.577 18221
4091 1 8 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.796 0.141 18221
4092 1 8 . 1 1 80 80 LEU C C 71 179.234 179.234 178.606 0.628 18221
4093 1 8 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.867 -1.022 18221
4094 1 8 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.681 -1.661 18221
4095 1 8 . 1 1 80 80 LEU H H 71 8.190 8.190 8.326 -0.136 18221
4096 1 8 . 1 1 81 81 GLN N N 72 117.558 117.558 117.000 0.558 18221
4097 1 8 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.977 -0.008 18221
4098 1 8 . 1 1 81 81 GLN C C 72 178.530 178.530 178.605 -0.075 18221
4099 1 8 . 1 1 81 81 GLN CA C 72 58.819 58.819 58.886 -0.067 18221
4100 1 8 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.786 -1.506 18221
4101 1 8 . 1 1 81 81 GLN H H 72 8.489 8.489 8.187 0.302 18221
4102 1 8 . 1 1 82 82 SER N N 73 116.103 116.103 115.737 0.366 18221
4103 1 8 . 1 1 82 82 SER HA H 73 4.233 4.233 4.082 0.151 18221
4104 1 8 . 1 1 82 82 SER C C 73 177.243 177.243 176.668 0.575 18221
4105 1 8 . 1 1 82 82 SER CA C 73 61.044 61.044 62.008 -0.964 18221
4106 1 8 . 1 1 82 82 SER CB C 73 62.257 62.257 63.171 -0.914 18221
4107 1 8 . 1 1 82 82 SER H H 73 7.855 7.855 8.295 -0.440 18221
4108 1 8 . 1 1 83 83 VAL N N 74 120.362 120.362 120.886 -0.524 18221
4109 1 8 . 1 1 83 83 VAL C C 74 177.979 177.979 177.608 0.371 18221
4110 1 8 . 1 1 83 83 VAL CA C 74 65.106 65.106 65.889 -0.783 18221
4111 1 8 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.444 -0.703 18221
4112 1 8 . 1 1 83 83 VAL H H 74 8.030 8.030 8.147 -0.117 18221
4113 1 8 . 1 1 84 84 GLY N N 75 108.223 108.223 107.604 0.619 18221
4114 1 8 . 1 1 84 84 GLY C C 75 174.913 174.913 175.613 -0.700 18221
4115 1 8 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.167 -0.390 18221
4116 1 8 . 1 1 84 84 GLY H H 75 8.369 8.369 7.845 0.524 18221
4117 1 8 . 1 1 85 85 ALA N N 76 123.550 123.550 124.424 -0.874 18221
4118 1 8 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.115 -0.021 18221
4119 1 8 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.805 -0.207 18221
4120 1 8 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.317 -0.694 18221
4121 1 8 . 1 1 85 85 ALA H H 76 8.115 8.115 8.360 -0.245 18221
4122 1 8 . 1 1 86 86 ALA N N 77 120.410 120.410 120.873 -0.463 18221
4123 1 8 . 1 1 86 86 ALA C C 77 178.988 178.988 179.537 -0.549 18221
4124 1 8 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.382 -0.546 18221
4125 1 8 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.877 -0.367 18221
4126 1 8 . 1 1 86 86 ALA H H 77 8.632 8.632 8.248 0.384 18221
4127 1 8 . 1 1 87 87 GLY N N 78 105.706 105.706 107.038 -1.332 18221
4128 1 8 . 1 1 87 87 GLY C C 78 175.939 175.939 176.020 -0.081 18221
4129 1 8 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.886 -0.768 18221
4130 1 8 . 1 1 87 87 GLY H H 78 8.196 8.196 7.733 0.463 18221
4131 1 8 . 1 1 88 88 LEU N N 79 124.128 124.128 121.587 2.541 18221
4132 1 8 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.389 0.013 18221
4133 1 8 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.834 -1.448 18221
4134 1 8 . 1 1 88 88 LEU H H 79 8.449 8.449 7.938 0.511 18221
4135 1 8 . 1 1 89 89 SER N N 80 116.251 116.251 114.828 1.423 18221
4136 1 8 . 1 1 89 89 SER C C 80 179.153 179.153 176.475 2.678 18221
4137 1 8 . 1 1 89 89 SER CA C 80 61.023 61.023 61.934 -0.911 18221
4138 1 8 . 1 1 89 89 SER CB C 80 62.255 62.255 63.157 -0.902 18221
4139 1 8 . 1 1 89 89 SER H H 80 8.120 8.120 8.127 -0.007 18221
4140 1 8 . 1 1 90 90 VAL N N 81 119.310 119.310 121.736 -2.426 18221
4141 1 8 . 1 1 90 90 VAL C C 81 177.652 177.652 178.011 -0.359 18221
4142 1 8 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.439 -0.363 18221
4143 1 8 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.607 -0.277 18221
4144 1 8 . 1 1 90 90 VAL H H 81 7.955 7.955 8.117 -0.162 18221
4145 1 8 . 1 1 91 91 THR N N 82 115.535 115.535 116.272 -0.737 18221
4146 1 8 . 1 1 91 91 THR C C 82 176.571 176.571 176.725 -0.154 18221
4147 1 8 . 1 1 91 91 THR CA C 82 66.434 66.434 66.938 -0.504 18221
4148 1 8 . 1 1 91 91 THR CB C 82 67.742 67.742 68.311 -0.569 18221
4149 1 8 . 1 1 91 91 THR H H 82 7.888 7.888 8.502 -0.614 18221
4150 1 8 . 1 1 92 92 SER N N 83 116.537 116.537 117.575 -1.038 18221
4151 1 8 . 1 1 92 92 SER HA H 83 4.040 4.040 4.056 -0.016 18221
4152 1 8 . 1 1 92 92 SER C C 83 176.761 176.761 176.645 0.116 18221
4153 1 8 . 1 1 92 92 SER CA C 83 61.564 61.564 61.709 -0.145 18221
4154 1 8 . 1 1 92 92 SER CB C 83 62.009 62.009 62.783 -0.774 18221
4155 1 8 . 1 1 92 92 SER H H 83 8.212 8.212 8.155 0.057 18221
4156 1 8 . 1 1 93 93 LYS N N 84 122.353 122.353 120.373 1.980 18221
4157 1 8 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.958 0.161 18221
4158 1 8 . 1 1 93 93 LYS C C 84 172.812 172.812 179.234 -6.422 18221
4159 1 8 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.326 -0.891 18221
4160 1 8 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.374 -0.897 18221
4161 1 8 . 1 1 93 93 LYS H H 84 7.642 7.642 8.307 -0.665 18221
4162 1 8 . 1 1 94 94 VAL N N 85 119.348 119.348 118.940 0.408 18221
4163 1 8 . 1 1 94 94 VAL C C 85 177.948 177.948 177.817 0.131 18221
4164 1 8 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.056 0.333 18221
4165 1 8 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.612 0.234 18221
4166 1 8 . 1 1 94 94 VAL H H 85 8.414 8.414 7.550 0.864 18221
4167 1 8 . 1 1 95 95 ILE N N 86 118.769 118.769 117.953 0.816 18221
4168 1 8 . 1 1 95 95 ILE C C 86 177.972 177.972 176.471 1.501 18221
4169 1 8 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.555 0.282 18221
4170 1 8 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.876 -2.244 18221
4171 1 8 . 1 1 95 95 ILE H H 86 8.169 8.169 7.822 0.347 18221
4172 1 8 . 1 1 96 96 GLY N N 87 107.955 107.955 105.563 2.392 18221
4173 1 8 . 1 1 96 96 GLY C C 87 176.571 176.571 174.060 2.511 18221
4174 1 8 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.461 2.050 18221
4175 1 8 . 1 1 96 96 GLY H H 87 8.182 8.182 8.291 -0.109 18221
4176 1 8 . 1 1 97 97 GLY N N 88 109.117 109.117 109.962 -0.845 18221
4177 1 8 . 1 1 97 97 GLY C C 88 175.524 175.524 174.059 1.465 18221
4178 1 8 . 1 1 97 97 GLY CA C 88 45.832 45.832 45.565 0.268 18221
4179 1 8 . 1 1 97 97 GLY H H 88 7.953 7.953 8.025 -0.072 18221
4180 1 8 . 1 1 98 98 PHE N N 89 121.100 121.100 122.839 -1.739 18221
4181 1 8 . 1 1 98 98 PHE C C 89 176.367 176.367 174.510 1.857 18221
4182 1 8 . 1 1 98 98 PHE CA C 89 56.900 56.900 57.399 -0.499 18221
4183 1 8 . 1 1 98 98 PHE CB C 89 38.832 38.832 39.334 -0.502 18221
4184 1 8 . 1 1 98 98 PHE H H 89 8.000 8.000 8.359 -0.359 18221
4185 1 8 . 1 1 99 99 ALA N N 90 122.834 122.834 127.662 -4.828 18221
4186 1 8 . 1 1 99 99 ALA C C 90 178.348 178.348 176.302 2.046 18221
4187 1 8 . 1 1 99 99 ALA CA C 90 55.277 55.277 50.634 4.643 18221
4188 1 8 . 1 1 99 99 ALA CB C 90 17.414 17.414 21.622 -4.208 18221
4189 1 8 . 1 1 99 99 ALA H H 90 8.322 8.322 7.912 0.410 18221
4190 1 8 . 1 1 100 100 GLY N N 91 106.688 106.688 108.360 -1.672 18221
4191 1 8 . 1 1 100 100 GLY C C 91 175.878 175.878 175.124 0.754 18221
4192 1 8 . 1 1 100 100 GLY CA C 91 45.626 45.626 46.043 -0.417 18221
4193 1 8 . 1 1 100 100 GLY H H 91 8.000 8.000 8.483 -0.483 18221
4194 1 8 . 1 1 101 101 THR N N 92 115.689 115.689 116.145 -0.456 18221
4195 1 8 . 1 1 101 101 THR C C 92 178.476 178.476 173.729 4.747 18221
4196 1 8 . 1 1 101 101 THR CA C 92 63.364 63.364 62.896 0.468 18221
4197 1 8 . 1 1 101 101 THR CB C 92 69.619 69.619 69.271 0.348 18221
4198 1 8 . 1 1 101 101 THR H H 92 7.754 7.754 7.707 0.047 18221
4199 1 8 . 1 1 102 102 ALA N N 93 124.835 124.835 127.667 -2.832 18221
4200 1 8 . 1 1 102 102 ALA CA C 93 54.311 54.311 52.647 1.664 18221
4201 1 8 . 1 1 102 102 ALA CB C 93 17.679 17.679 18.994 -1.315 18221
4202 1 8 . 1 1 102 102 ALA H H 93 7.919 7.919 8.130 -0.211 18221
4203 1 8 . 1 1 103 103 LEU N N 94 117.445 117.445 118.971 -1.526 18221
4204 1 8 . 1 1 103 103 LEU CA C 94 56.782 56.782 54.693 2.089 18221
4205 1 8 . 1 1 103 103 LEU CB C 94 40.902 40.902 42.108 -1.206 18221
4206 1 8 . 1 1 103 103 LEU H H 94 8.037 8.037 8.441 -0.404 18221
4207 1 8 . 1 1 104 104 GLY N N 95 106.296 106.296 110.979 -4.683 18221
4208 1 8 . 1 1 104 104 GLY C C 95 175.851 175.851 174.694 1.157 18221
4209 1 8 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.250 2.320 18221
4210 1 8 . 1 1 104 104 GLY H H 95 7.900 7.900 8.472 -0.572 18221
4211 1 8 . 1 1 105 105 ALA N N 96 123.872 123.872 126.389 -2.517 18221
4212 1 8 . 1 1 105 105 ALA CA C 96 54.126 54.126 53.524 0.602 18221
4213 1 8 . 1 1 105 105 ALA CB C 96 17.587 17.587 18.606 -1.019 18221
4214 1 8 . 1 1 105 105 ALA H H 96 7.804 7.804 8.589 -0.785 18221
4215 1 8 . 1 1 106 106 TRP N N 97 120.348 120.348 117.508 2.840 18221
4216 1 8 . 1 1 106 106 TRP C C 97 176.857 176.857 173.882 2.975 18221
4217 1 8 . 1 1 106 106 TRP CA C 97 56.900 56.900 55.956 0.944 18221
4218 1 8 . 1 1 106 106 TRP H H 97 8.385 8.385 8.125 0.260 18221
4219 1 8 . 1 1 107 107 LEU N N 98 117.756 117.756 123.648 -5.892 18221
4220 1 8 . 1 1 107 107 LEU C C 98 177.659 177.659 175.665 1.994 18221
4221 1 8 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.034 0.069 18221
4222 1 8 . 1 1 107 107 LEU CB C 98 41.418 41.418 42.179 -0.761 18221
4223 1 8 . 1 1 107 107 LEU H H 98 7.880 7.880 8.278 -0.398 18221
4224 1 8 . 1 1 108 108 GLY N N 99 107.285 107.285 110.317 -3.032 18221
4225 1 8 . 1 1 108 108 GLY C C 99 173.815 173.815 173.042 0.773 18221
4226 1 8 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.704 0.243 18221
4227 1 8 . 1 1 108 108 GLY H H 99 7.694 7.694 7.753 -0.059 18221
4228 1 8 . 1 1 109 109 SER N N 100 117.139 117.139 116.873 0.266 18221
4229 1 8 . 1 1 109 109 SER C C 100 172.179 172.179 172.278 -0.099 18221
4230 1 8 . 1 1 109 109 SER CA C 100 56.015 56.015 58.639 -2.624 18221
4231 1 8 . 1 1 109 109 SER CB C 100 62.771 62.771 63.133 -0.361 18221
4232 1 8 . 1 1 109 109 SER H H 100 8.030 8.030 8.311 -0.281 18221
4233 1 8 . 1 1 111 111 PRO C C 102 177.073 177.073 176.697 0.376 18221
4234 1 8 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.604 -1.405 18221
4235 1 8 . 1 1 111 111 PRO CB C 102 31.211 31.211 32.464 -1.253 18221
4236 1 8 . 1 1 112 112 SER N N 103 117.115 117.115 112.747 4.368 18221
4237 1 8 . 1 1 112 112 SER C C 103 173.898 173.898 173.264 0.634 18221
4238 1 8 . 1 1 112 112 SER CA C 103 57.904 57.904 57.901 0.003 18221
4239 1 8 . 1 1 112 112 SER CB C 103 63.360 63.360 63.726 -0.366 18221
4240 1 8 . 1 1 112 112 SER H H 103 8.345 8.345 8.063 0.282 18221
4241 1 9 . 1 1 11 11 GLY N N 2 109.366 109.366 108.879 0.487 18221
4242 1 9 . 1 1 11 11 GLY C C 2 174.543 174.543 174.002 0.541 18221
4243 1 9 . 1 1 11 11 GLY CA C 2 45.695 45.695 44.791 0.904 18221
4244 1 9 . 1 1 11 11 GLY H H 2 8.271 8.271 8.041 0.230 18221
4245 1 9 . 1 1 12 12 LYS N N 3 121.129 121.129 123.597 -2.468 18221
4246 1 9 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.284 -0.152 18221
4247 1 9 . 1 1 12 12 LYS C C 3 177.234 177.234 175.345 1.889 18221
4248 1 9 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.168 0.644 18221
4249 1 9 . 1 1 12 12 LYS CB C 3 31.846 31.846 31.714 0.132 18221
4250 1 9 . 1 1 12 12 LYS H H 3 8.057 8.057 8.469 -0.412 18221
4251 1 9 . 1 1 13 13 GLU N N 4 120.318 120.318 122.574 -2.256 18221
4252 1 9 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.399 -0.244 18221
4253 1 9 . 1 1 13 13 GLU C C 4 176.857 176.857 175.818 1.039 18221
4254 1 9 . 1 1 13 13 GLU CA C 4 56.871 56.871 55.823 1.048 18221
4255 1 9 . 1 1 13 13 GLU CB C 4 28.388 28.388 29.772 -1.384 18221
4256 1 9 . 1 1 13 13 GLU H H 4 8.398 8.398 8.012 0.386 18221
4257 1 9 . 1 1 14 14 SER N N 5 115.504 115.504 122.619 -7.115 18221
4258 1 9 . 1 1 14 14 SER HA H 5 3.843 3.843 4.642 -0.799 18221
4259 1 9 . 1 1 14 14 SER C C 5 175.337 175.337 174.511 0.826 18221
4260 1 9 . 1 1 14 14 SER CA C 5 58.524 58.524 57.551 0.973 18221
4261 1 9 . 1 1 14 14 SER CB C 5 63.360 63.360 62.596 0.764 18221
4262 1 9 . 1 1 14 14 SER H H 5 8.089 8.089 8.675 -0.586 18221
4263 1 9 . 1 1 15 15 GLY N N 6 110.761 110.761 114.562 -3.801 18221
4264 1 9 . 1 1 15 15 GLY C C 6 174.581 174.581 173.428 1.153 18221
4265 1 9 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.075 0.491 18221
4266 1 9 . 1 1 15 15 GLY H H 6 8.197 8.197 8.291 -0.094 18221
4267 1 9 . 1 1 16 16 TRP N N 7 121.800 121.800 120.271 1.529 18221
4268 1 9 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.737 -0.177 18221
4269 1 9 . 1 1 16 16 TRP C C 7 176.920 176.920 173.837 3.083 18221
4270 1 9 . 1 1 16 16 TRP CA C 7 58.081 58.081 56.107 1.974 18221
4271 1 9 . 1 1 16 16 TRP CB C 7 28.679 28.679 30.328 -1.649 18221
4272 1 9 . 1 1 16 16 TRP H H 7 8.184 8.184 7.397 0.787 18221
4273 1 9 . 1 1 17 17 ASP N N 8 121.132 121.132 123.172 -2.040 18221
4274 1 9 . 1 1 17 17 ASP HA H 8 4.395 4.395 5.024 -0.629 18221
4275 1 9 . 1 1 17 17 ASP C C 8 176.941 176.941 174.896 2.045 18221
4276 1 9 . 1 1 17 17 ASP CA C 8 56.244 56.244 54.397 1.847 18221
4277 1 9 . 1 1 17 17 ASP CB C 8 39.945 39.945 40.948 -1.003 18221
4278 1 9 . 1 1 17 17 ASP H H 8 8.332 8.332 8.479 -0.147 18221
4279 1 9 . 1 1 18 18 SER N N 9 116.148 116.148 116.636 -0.488 18221
4280 1 9 . 1 1 18 18 SER HA H 9 3.861 3.861 4.635 -0.774 18221
4281 1 9 . 1 1 18 18 SER CA C 9 60.081 60.081 58.651 1.430 18221
4282 1 9 . 1 1 18 18 SER CB C 9 62.255 62.255 64.521 -2.266 18221
4283 1 9 . 1 1 18 18 SER H H 9 8.129 8.129 8.681 -0.552 18221
4284 1 9 . 1 1 19 19 GLY N N 10 110.747 110.747 113.663 -2.916 18221
4285 1 9 . 1 1 19 19 GLY C C 10 174.682 174.682 175.476 -0.794 18221
4286 1 9 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.783 0.817 18221
4287 1 9 . 1 1 19 19 GLY H H 10 8.216 8.216 8.605 -0.389 18221
4288 1 9 . 1 1 20 20 ARG N N 11 121.405 121.405 120.712 0.693 18221
4289 1 9 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.188 -0.331 18221
4290 1 9 . 1 1 20 20 ARG C C 11 178.328 178.328 178.814 -0.486 18221
4291 1 9 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.158 0.927 18221
4292 1 9 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.303 -1.256 18221
4293 1 9 . 1 1 20 20 ARG H H 11 8.158 8.158 8.443 -0.285 18221
4294 1 9 . 1 1 21 21 ALA N N 12 122.167 122.167 122.244 -0.077 18221
4295 1 9 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.056 0.044 18221
4296 1 9 . 1 1 21 21 ALA C C 12 180.129 180.129 179.373 0.756 18221
4297 1 9 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.606 -0.214 18221
4298 1 9 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.939 -0.525 18221
4299 1 9 . 1 1 21 21 ALA H H 12 7.963 7.963 8.427 -0.464 18221
4300 1 9 . 1 1 22 22 ALA N N 13 122.150 122.150 121.948 0.202 18221
4301 1 9 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.900 0.137 18221
4302 1 9 . 1 1 22 22 ALA C C 13 179.095 179.095 179.777 -0.682 18221
4303 1 9 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.826 -0.110 18221
4304 1 9 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.012 -0.451 18221
4305 1 9 . 1 1 22 22 ALA H H 13 7.881 7.881 8.132 -0.251 18221
4306 1 9 . 1 1 23 23 VAL N N 14 117.107 117.107 118.480 -1.373 18221
4307 1 9 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.529 -0.049 18221
4308 1 9 . 1 1 23 23 VAL C C 14 177.586 177.586 178.227 -0.641 18221
4309 1 9 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.509 0.689 18221
4310 1 9 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.567 -0.047 18221
4311 1 9 . 1 1 23 23 VAL H H 14 7.888 7.888 8.133 -0.245 18221
4312 1 9 . 1 1 24 24 ALA N N 15 121.333 121.333 121.993 -0.660 18221
4313 1 9 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.963 0.018 18221
4314 1 9 . 1 1 24 24 ALA C C 15 180.373 180.373 179.352 1.021 18221
4315 1 9 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.203 -0.192 18221
4316 1 9 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.864 -0.612 18221
4317 1 9 . 1 1 24 24 ALA H H 15 8.037 8.037 7.511 0.526 18221
4318 1 9 . 1 1 25 25 ALA N N 16 121.158 121.158 119.529 1.629 18221
4319 1 9 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.147 -0.001 18221
4320 1 9 . 1 1 25 25 ALA C C 16 179.828 179.828 178.791 1.037 18221
4321 1 9 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.631 -0.180 18221
4322 1 9 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.427 -0.940 18221
4323 1 9 . 1 1 25 25 ALA H H 16 7.819 7.819 7.832 -0.013 18221
4324 1 9 . 1 1 26 26 VAL N N 17 118.417 118.417 116.160 2.257 18221
4325 1 9 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.856 -0.078 18221
4326 1 9 . 1 1 26 26 VAL C C 17 178.020 178.020 177.247 0.773 18221
4327 1 9 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.807 1.770 18221
4328 1 9 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.742 -0.657 18221
4329 1 9 . 1 1 26 26 VAL H H 17 7.848 7.848 7.201 0.647 18221
4330 1 9 . 1 1 27 27 VAL N N 18 119.240 119.240 119.290 -0.050 18221
4331 1 9 . 1 1 27 27 VAL C C 18 177.719 177.719 177.008 0.711 18221
4332 1 9 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.012 1.979 18221
4333 1 9 . 1 1 27 27 VAL CB C 18 30.187 30.187 31.610 -1.423 18221
4334 1 9 . 1 1 27 27 VAL H H 18 8.377 8.377 7.648 0.729 18221
4335 1 9 . 1 1 28 28 GLY N N 19 106.009 106.009 107.852 -1.843 18221
4336 1 9 . 1 1 28 28 GLY C C 19 176.212 176.212 174.572 1.640 18221
4337 1 9 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.543 -0.299 18221
4338 1 9 . 1 1 28 28 GLY H H 19 8.122 8.122 7.654 0.468 18221
4339 1 9 . 1 1 29 29 GLY N N 20 110.216 110.216 111.740 -1.524 18221
4340 1 9 . 1 1 29 29 GLY C C 20 174.097 174.097 174.958 -0.861 18221
4341 1 9 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.519 1.815 18221
4342 1 9 . 1 1 29 29 GLY H H 20 8.039 8.039 7.689 0.350 18221
4343 1 9 . 1 1 30 30 VAL N N 21 121.188 121.188 121.212 -0.024 18221
4344 1 9 . 1 1 30 30 VAL C C 21 177.073 177.073 177.722 -0.649 18221
4345 1 9 . 1 1 30 30 VAL CA C 21 62.574 62.574 66.194 -3.620 18221
4346 1 9 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.971 -1.181 18221
4347 1 9 . 1 1 30 30 VAL H H 21 7.983 7.983 7.961 0.022 18221
4348 1 9 . 1 1 32 32 ALA N N 23 125.091 125.091 121.347 3.744 18221
4349 1 9 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.083 0.176 18221
4350 1 9 . 1 1 32 32 ALA C C 23 179.523 179.523 179.871 -0.348 18221
4351 1 9 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.091 -1.408 18221
4352 1 9 . 1 1 32 32 ALA CB C 23 16.383 16.383 17.933 -1.550 18221
4353 1 9 . 1 1 32 32 ALA H H 23 8.036 8.036 8.137 -0.101 18221
4354 1 9 . 1 1 33 33 VAL N N 24 118.793 118.793 118.360 0.433 18221
4355 1 9 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.704 0.004 18221
4356 1 9 . 1 1 33 33 VAL C C 24 177.901 177.901 177.930 -0.029 18221
4357 1 9 . 1 1 33 33 VAL CA C 24 65.430 65.430 66.457 -1.028 18221
4358 1 9 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.790 -0.472 18221
4359 1 9 . 1 1 33 33 VAL H H 24 8.195 8.195 7.986 0.209 18221
4360 1 9 . 1 1 34 34 GLY N N 25 108.367 108.367 107.366 1.001 18221
4361 1 9 . 1 1 34 34 GLY C C 25 175.424 175.424 175.919 -0.495 18221
4362 1 9 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.570 -0.236 18221
4363 1 9 . 1 1 34 34 GLY H H 25 8.651 8.651 8.244 0.407 18221
4364 1 9 . 1 1 35 35 THR N N 26 116.448 116.448 119.861 -3.413 18221
4365 1 9 . 1 1 35 35 THR C C 26 176.843 176.843 176.432 0.411 18221
4366 1 9 . 1 1 35 35 THR CA C 26 65.962 65.962 67.680 -1.718 18221
4367 1 9 . 1 1 35 35 THR CB C 26 68.414 68.414 68.811 -0.397 18221
4368 1 9 . 1 1 35 35 THR H H 26 7.975 7.975 8.268 -0.293 18221
4369 1 9 . 1 1 36 36 VAL N N 27 122.810 122.810 122.094 0.716 18221
4370 1 9 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.613 0.106 18221
4371 1 9 . 1 1 36 36 VAL C C 27 177.618 177.618 177.681 -0.063 18221
4372 1 9 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.209 -0.483 18221
4373 1 9 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.809 -1.142 18221
4374 1 9 . 1 1 36 36 VAL H H 27 7.559 7.559 8.051 -0.492 18221
4375 1 9 . 1 1 37 37 LEU N N 28 119.566 119.566 120.233 -0.667 18221
4376 1 9 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.917 0.036 18221
4377 1 9 . 1 1 37 37 LEU C C 28 179.666 179.666 179.281 0.385 18221
4378 1 9 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.129 -0.284 18221
4379 1 9 . 1 1 37 37 LEU CB C 28 40.166 40.166 40.537 -0.371 18221
4380 1 9 . 1 1 37 37 LEU H H 28 8.086 8.086 7.923 0.163 18221
4381 1 9 . 1 1 38 38 VAL N N 29 119.468 119.468 119.247 0.221 18221
4382 1 9 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.547 0.106 18221
4383 1 9 . 1 1 38 38 VAL C C 29 178.639 178.639 178.188 0.451 18221
4384 1 9 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.277 -0.804 18221
4385 1 9 . 1 1 38 38 VAL CB C 29 30.609 30.609 30.628 -0.019 18221
4386 1 9 . 1 1 38 38 VAL H H 29 8.066 8.066 8.378 -0.312 18221
4387 1 9 . 1 1 39 39 ALA N N 30 124.255 124.255 120.199 4.056 18221
4388 1 9 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.132 0.033 18221
4389 1 9 . 1 1 39 39 ALA C C 30 180.303 180.303 178.784 1.519 18221
4390 1 9 . 1 1 39 39 ALA CA C 30 54.834 54.834 54.799 0.035 18221
4391 1 9 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.473 -0.765 18221
4392 1 9 . 1 1 39 39 ALA H H 30 7.688 7.688 7.800 -0.112 18221
4393 1 9 . 1 1 40 40 LEU N N 31 118.268 118.268 119.050 -0.782 18221
4394 1 9 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.076 0.065 18221
4395 1 9 . 1 1 40 40 LEU C C 31 179.271 179.271 178.476 0.795 18221
4396 1 9 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.480 -0.402 18221
4397 1 9 . 1 1 40 40 LEU CB C 31 40.902 40.902 42.165 -1.263 18221
4398 1 9 . 1 1 40 40 LEU H H 31 8.326 8.326 7.437 0.889 18221
4399 1 9 . 1 1 41 41 SER N N 32 114.984 114.984 113.239 1.745 18221
4400 1 9 . 1 1 41 41 SER HA H 32 3.952 3.952 4.314 -0.362 18221
4401 1 9 . 1 1 41 41 SER C C 32 176.284 176.284 175.596 0.688 18221
4402 1 9 . 1 1 41 41 SER CA C 32 60.885 60.885 60.840 0.045 18221
4403 1 9 . 1 1 41 41 SER CB C 32 62.410 62.410 63.797 -1.387 18221
4404 1 9 . 1 1 41 41 SER H H 32 8.062 8.062 8.056 0.006 18221
4405 1 9 . 1 1 42 42 ALA N N 33 124.588 124.588 123.081 1.507 18221
4406 1 9 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.236 -0.011 18221
4407 1 9 . 1 1 42 42 ALA C C 33 179.033 179.033 177.488 1.545 18221
4408 1 9 . 1 1 42 42 ALA CA C 33 53.713 53.713 53.028 0.685 18221
4409 1 9 . 1 1 42 42 ALA CB C 33 17.929 17.929 19.271 -1.342 18221
4410 1 9 . 1 1 42 42 ALA H H 33 7.813 7.813 7.855 -0.042 18221
4411 1 9 . 1 1 43 43 MET N N 34 116.808 116.808 115.402 1.406 18221
4412 1 9 . 1 1 43 43 MET HA H 34 4.285 4.285 4.162 0.123 18221
4413 1 9 . 1 1 43 43 MET C C 34 176.807 176.807 176.450 0.357 18221
4414 1 9 . 1 1 43 43 MET CA C 34 56.576 56.576 57.469 -0.893 18221
4415 1 9 . 1 1 43 43 MET CB C 34 32.435 32.435 30.977 1.458 18221
4416 1 9 . 1 1 43 43 MET H H 34 7.691 7.691 8.943 -1.252 18221
4417 1 9 . 1 1 44 44 GLY N N 35 107.020 107.020 105.017 2.003 18221
4418 1 9 . 1 1 44 44 GLY C C 35 174.493 174.493 172.843 1.650 18221
4419 1 9 . 1 1 44 44 GLY CA C 35 45.065 45.065 44.867 0.198 18221
4420 1 9 . 1 1 44 44 GLY H H 35 7.793 7.793 8.015 -0.222 18221
4421 1 9 . 1 1 45 45 PHE N N 36 120.285 120.285 121.857 -1.572 18221
4422 1 9 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.891 -0.384 18221
4423 1 9 . 1 1 45 45 PHE C C 36 176.876 176.876 174.363 2.513 18221
4424 1 9 . 1 1 45 45 PHE CA C 36 58.937 58.937 56.228 2.709 18221
4425 1 9 . 1 1 45 45 PHE CB C 36 38.178 38.178 41.504 -3.326 18221
4426 1 9 . 1 1 45 45 PHE H H 36 8.215 8.215 7.833 0.382 18221
4427 1 9 . 1 1 46 46 THR N N 37 114.008 114.008 113.709 0.299 18221
4428 1 9 . 1 1 46 46 THR HA H 37 4.080 4.080 4.317 -0.237 18221
4429 1 9 . 1 1 46 46 THR C C 37 175.751 175.751 174.317 1.434 18221
4430 1 9 . 1 1 46 46 THR CA C 37 64.220 64.220 61.988 2.232 18221
4431 1 9 . 1 1 46 46 THR CB C 37 68.514 68.514 69.977 -1.463 18221
4432 1 9 . 1 1 46 46 THR H H 37 8.111 8.111 8.153 -0.042 18221
4433 1 9 . 1 1 47 47 SER N N 38 116.646 116.646 116.123 0.523 18221
4434 1 9 . 1 1 47 47 SER HA H 38 3.918 3.918 4.579 -0.661 18221
4435 1 9 . 1 1 47 47 SER C C 38 176.744 176.744 174.405 2.339 18221
4436 1 9 . 1 1 47 47 SER CA C 38 59.911 59.911 58.498 1.413 18221
4437 1 9 . 1 1 47 47 SER CB C 38 62.624 62.624 63.262 -0.638 18221
4438 1 9 . 1 1 47 47 SER H H 38 8.079 8.079 8.322 -0.243 18221
4439 1 9 . 1 1 48 48 VAL N N 39 121.929 121.929 119.632 2.297 18221
4440 1 9 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.696 0.213 18221
4441 1 9 . 1 1 48 48 VAL C C 39 177.033 177.033 177.019 0.014 18221
4442 1 9 . 1 1 48 48 VAL CA C 39 64.988 64.988 63.942 1.046 18221
4443 1 9 . 1 1 48 48 VAL CB C 39 30.667 30.667 30.426 0.241 18221
4444 1 9 . 1 1 48 48 VAL H H 39 7.985 7.985 7.985 0.000 18221
4445 1 9 . 1 1 49 49 GLY N N 40 108.633 108.633 107.485 1.148 18221
4446 1 9 . 1 1 49 49 GLY C C 40 176.038 176.038 176.391 -0.353 18221
4447 1 9 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.661 -0.796 18221
4448 1 9 . 1 1 49 49 GLY H H 40 8.267 8.267 8.687 -0.420 18221
4449 1 9 . 1 1 50 50 ILE N N 41 122.466 122.466 122.233 0.233 18221
4450 1 9 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.580 0.291 18221
4451 1 9 . 1 1 50 50 ILE C C 41 178.363 178.363 177.666 0.697 18221
4452 1 9 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.739 -1.224 18221
4453 1 9 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.716 -0.478 18221
4454 1 9 . 1 1 50 50 ILE H H 41 7.865 7.865 7.687 0.178 18221
4455 1 9 . 1 1 51 51 ALA N N 42 125.064 125.064 121.844 3.220 18221
4456 1 9 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.886 0.213 18221
4457 1 9 . 1 1 51 51 ALA C C 42 179.385 179.385 179.167 0.218 18221
4458 1 9 . 1 1 51 51 ALA CA C 42 54.480 54.480 54.990 -0.510 18221
4459 1 9 . 1 1 51 51 ALA CB C 42 17.487 17.487 18.054 -0.567 18221
4460 1 9 . 1 1 51 51 ALA H H 42 7.930 7.930 7.675 0.255 18221
4461 1 9 . 1 1 52 52 ALA N N 43 120.594 120.594 120.360 0.234 18221
4462 1 9 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.064 -0.127 18221
4463 1 9 . 1 1 52 52 ALA C C 43 179.088 179.088 179.956 -0.868 18221
4464 1 9 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.767 0.333 18221
4465 1 9 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.101 -0.466 18221
4466 1 9 . 1 1 52 52 ALA H H 43 8.639 8.639 8.179 0.460 18221
4467 1 9 . 1 1 53 53 SER N N 44 113.012 113.012 115.324 -2.312 18221
4468 1 9 . 1 1 53 53 SER HA H 44 3.966 3.966 4.255 -0.289 18221
4469 1 9 . 1 1 53 53 SER C C 44 176.898 176.898 176.679 0.219 18221
4470 1 9 . 1 1 53 53 SER CA C 44 61.139 61.139 61.117 0.022 18221
4471 1 9 . 1 1 53 53 SER CB C 44 62.347 62.347 62.689 -0.342 18221
4472 1 9 . 1 1 53 53 SER H H 44 8.193 8.193 8.207 -0.014 18221
4473 1 9 . 1 1 54 54 SER N N 45 118.714 118.714 118.178 0.536 18221
4474 1 9 . 1 1 54 54 SER HA H 45 3.975 3.975 4.099 -0.124 18221
4475 1 9 . 1 1 54 54 SER C C 45 177.131 177.131 177.105 0.026 18221
4476 1 9 . 1 1 54 54 SER CA C 45 61.210 61.210 62.219 -1.009 18221
4477 1 9 . 1 1 54 54 SER CB C 45 62.255 62.255 63.010 -0.754 18221
4478 1 9 . 1 1 54 54 SER H H 45 7.944 7.944 7.988 -0.044 18221
4479 1 9 . 1 1 55 55 ILE N N 46 122.912 122.912 121.280 1.632 18221
4480 1 9 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.784 -0.027 18221
4481 1 9 . 1 1 55 55 ILE C C 46 177.813 177.813 177.336 0.477 18221
4482 1 9 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.100 0.091 18221
4483 1 9 . 1 1 55 55 ILE CB C 46 36.926 36.926 38.013 -1.087 18221
4484 1 9 . 1 1 55 55 ILE H H 46 8.028 8.028 8.043 -0.015 18221
4485 1 9 . 1 1 56 56 ALA N N 47 122.990 122.990 122.858 0.132 18221
4486 1 9 . 1 1 56 56 ALA HA H 47 3.956 3.956 3.932 0.024 18221
4487 1 9 . 1 1 56 56 ALA C C 47 180.294 180.294 179.078 1.216 18221
4488 1 9 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.578 -0.240 18221
4489 1 9 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.580 -0.878 18221
4490 1 9 . 1 1 56 56 ALA H H 47 8.333 8.333 7.897 0.436 18221
4491 1 9 . 1 1 57 57 ALA N N 48 121.988 121.988 121.249 0.739 18221
4492 1 9 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.087 -0.019 18221
4493 1 9 . 1 1 57 57 ALA CA C 48 54.421 54.421 52.831 1.590 18221
4494 1 9 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.177 -1.474 18221
4495 1 9 . 1 1 57 57 ALA H H 48 7.879 7.879 7.886 -0.007 18221
4496 1 9 . 1 1 58 58 LYS N N 49 119.094 119.094 117.627 1.467 18221
4497 1 9 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.951 0.195 18221
4498 1 9 . 1 1 58 58 LYS C C 49 179.649 179.649 176.289 3.360 18221
4499 1 9 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.213 0.944 18221
4500 1 9 . 1 1 58 58 LYS CB C 49 31.330 31.330 30.877 0.454 18221
4501 1 9 . 1 1 58 58 LYS H H 49 7.727 7.727 7.909 -0.182 18221
4502 1 9 . 1 1 59 59 MET N N 50 120.498 120.498 118.179 2.319 18221
4503 1 9 . 1 1 59 59 MET HA H 50 4.156 4.156 4.220 -0.064 18221
4504 1 9 . 1 1 59 59 MET C C 50 177.949 177.949 176.314 1.635 18221
4505 1 9 . 1 1 59 59 MET CA C 50 57.136 57.136 56.678 0.458 18221
4506 1 9 . 1 1 59 59 MET CB C 50 31.922 31.922 33.006 -1.084 18221
4507 1 9 . 1 1 59 59 MET H H 50 8.395 8.395 8.291 0.104 18221
4508 1 9 . 1 1 60 60 MET N N 51 117.689 117.689 121.525 -3.836 18221
4509 1 9 . 1 1 60 60 MET HA H 51 4.222 4.222 4.218 0.004 18221
4510 1 9 . 1 1 60 60 MET C C 51 177.674 177.674 176.956 0.718 18221
4511 1 9 . 1 1 60 60 MET CA C 51 57.638 57.638 56.003 1.635 18221
4512 1 9 . 1 1 60 60 MET CB C 51 31.785 31.785 33.065 -1.280 18221
4513 1 9 . 1 1 60 60 MET H H 51 8.234 8.234 8.301 -0.067 18221
4514 1 9 . 1 1 61 61 SER N N 52 114.385 114.385 115.548 -1.163 18221
4515 1 9 . 1 1 61 61 SER HA H 52 4.001 4.001 4.314 -0.314 18221
4516 1 9 . 1 1 61 61 SER C C 52 176.079 176.079 175.377 0.702 18221
4517 1 9 . 1 1 61 61 SER CA C 52 59.911 59.911 59.978 -0.067 18221
4518 1 9 . 1 1 61 61 SER CB C 52 62.624 62.624 63.541 -0.917 18221
4519 1 9 . 1 1 61 61 SER H H 52 7.893 7.893 8.241 -0.348 18221
4520 1 9 . 1 1 62 62 THR N N 53 117.304 117.304 118.314 -1.010 18221
4521 1 9 . 1 1 62 62 THR HA H 53 4.104 4.104 3.949 0.155 18221
4522 1 9 . 1 1 62 62 THR C C 53 175.436 175.436 173.551 1.885 18221
4523 1 9 . 1 1 62 62 THR CA C 53 64.220 64.220 62.593 1.627 18221
4524 1 9 . 1 1 62 62 THR CB C 53 68.514 68.514 68.723 -0.209 18221
4525 1 9 . 1 1 62 62 THR H H 53 7.794 7.794 8.605 -0.811 18221
4526 1 9 . 1 1 63 63 ALA N N 54 125.382 125.382 125.189 0.193 18221
4527 1 9 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.375 -0.281 18221
4528 1 9 . 1 1 63 63 ALA C C 54 178.328 178.328 176.878 1.450 18221
4529 1 9 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.520 1.576 18221
4530 1 9 . 1 1 63 63 ALA CB C 54 17.708 17.708 19.862 -2.154 18221
4531 1 9 . 1 1 63 63 ALA H H 54 8.204 8.204 7.577 0.627 18221
4532 1 9 . 1 1 64 64 ALA N N 55 119.929 119.929 123.035 -3.106 18221
4533 1 9 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.119 0.006 18221
4534 1 9 . 1 1 64 64 ALA C C 55 179.183 179.183 176.393 2.790 18221
4535 1 9 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.304 1.733 18221
4536 1 9 . 1 1 64 64 ALA CB C 55 17.708 17.708 19.214 -1.506 18221
4537 1 9 . 1 1 64 64 ALA H H 55 7.951 7.951 8.324 -0.373 18221
4538 1 9 . 1 1 65 65 ILE N N 56 117.016 117.016 118.678 -1.662 18221
4539 1 9 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.402 -0.452 18221
4540 1 9 . 1 1 65 65 ILE C C 56 177.222 177.222 174.985 2.237 18221
4541 1 9 . 1 1 65 65 ILE CA C 56 62.184 62.184 61.315 0.869 18221
4542 1 9 . 1 1 65 65 ILE CB C 56 37.073 37.073 37.542 -0.469 18221
4543 1 9 . 1 1 65 65 ILE H H 56 7.561 7.561 8.330 -0.769 18221
4544 1 9 . 1 1 66 66 ALA N N 57 124.191 124.191 125.424 -1.233 18221
4545 1 9 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.344 -0.167 18221
4546 1 9 . 1 1 66 66 ALA C C 57 178.190 178.190 176.812 1.378 18221
4547 1 9 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.432 1.104 18221
4548 1 9 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.788 -1.859 18221
4549 1 9 . 1 1 66 66 ALA H H 57 7.982 7.982 8.374 -0.392 18221
4550 1 9 . 1 1 67 67 ASN N N 58 116.132 116.132 119.628 -3.496 18221
4551 1 9 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.781 -0.108 18221
4552 1 9 . 1 1 67 67 ASN C C 58 176.344 176.344 175.733 0.611 18221
4553 1 9 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.026 0.451 18221
4554 1 9 . 1 1 67 67 ASN CB C 58 38.472 38.472 39.166 -0.694 18221
4555 1 9 . 1 1 67 67 ASN H H 58 8.113 8.113 8.196 -0.083 18221
4556 1 9 . 1 1 68 68 GLY N N 59 108.808 108.808 109.481 -0.673 18221
4557 1 9 . 1 1 68 68 GLY C C 59 174.958 174.958 173.022 1.936 18221
4558 1 9 . 1 1 68 68 GLY CA C 59 45.655 45.655 44.696 0.959 18221
4559 1 9 . 1 1 68 68 GLY H H 59 8.152 8.152 8.338 -0.186 18221
4560 1 9 . 1 1 69 69 GLY N N 60 108.832 108.832 107.230 1.602 18221
4561 1 9 . 1 1 69 69 GLY C C 60 174.631 174.631 174.546 0.085 18221
4562 1 9 . 1 1 69 69 GLY CA C 60 45.419 45.419 45.005 0.414 18221
4563 1 9 . 1 1 69 69 GLY H H 60 8.218 8.218 8.371 -0.153 18221
4564 1 9 . 1 1 70 70 GLY N N 61 108.966 108.966 108.422 0.544 18221
4565 1 9 . 1 1 70 70 GLY C C 61 174.594 174.594 174.442 0.152 18221
4566 1 9 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.684 0.676 18221
4567 1 9 . 1 1 70 70 GLY H H 61 8.175 8.175 7.881 0.294 18221
4568 1 9 . 1 1 71 71 VAL N N 62 120.209 120.209 119.215 0.994 18221
4569 1 9 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.758 0.248 18221
4570 1 9 . 1 1 71 71 VAL C C 62 176.077 176.077 175.070 1.007 18221
4571 1 9 . 1 1 71 71 VAL CA C 62 62.390 62.390 62.219 0.170 18221
4572 1 9 . 1 1 71 71 VAL CB C 62 31.698 31.698 33.038 -1.340 18221
4573 1 9 . 1 1 71 71 VAL H H 62 7.882 7.882 7.956 -0.074 18221
4574 1 9 . 1 1 72 72 ALA N N 63 126.966 126.966 123.349 3.617 18221
4575 1 9 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.197 -0.171 18221
4576 1 9 . 1 1 72 72 ALA C C 63 178.064 178.064 176.183 1.881 18221
4577 1 9 . 1 1 72 72 ALA CA C 63 52.503 52.503 53.845 -1.342 18221
4578 1 9 . 1 1 72 72 ALA CB C 63 18.225 18.225 19.041 -0.816 18221
4579 1 9 . 1 1 72 72 ALA H H 63 8.237 8.237 8.301 -0.064 18221
4580 1 9 . 1 1 73 73 ALA N N 64 123.432 123.432 125.278 -1.846 18221
4581 1 9 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.439 -0.424 18221
4582 1 9 . 1 1 73 73 ALA C C 64 178.995 178.995 176.345 2.650 18221
4583 1 9 . 1 1 73 73 ALA CA C 64 54.421 54.421 51.727 2.694 18221
4584 1 9 . 1 1 73 73 ALA CB C 64 18.003 18.003 20.574 -2.571 18221
4585 1 9 . 1 1 73 73 ALA H H 64 8.421 8.421 7.935 0.486 18221
4586 1 9 . 1 1 74 74 GLY N N 65 105.577 105.577 108.028 -2.451 18221
4587 1 9 . 1 1 74 74 GLY C C 65 176.367 176.367 175.679 0.688 18221
4588 1 9 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.766 1.478 18221
4589 1 9 . 1 1 74 74 GLY H H 65 8.448 8.448 8.145 0.303 18221
4590 1 9 . 1 1 75 75 SER N N 66 117.656 117.656 116.502 1.154 18221
4591 1 9 . 1 1 75 75 SER HA H 66 4.394 4.394 4.137 0.257 18221
4592 1 9 . 1 1 75 75 SER C C 66 176.329 176.329 176.839 -0.510 18221
4593 1 9 . 1 1 75 75 SER CA C 66 60.236 60.236 61.369 -1.133 18221
4594 1 9 . 1 1 75 75 SER CB C 66 62.476 62.476 63.003 -0.527 18221
4595 1 9 . 1 1 75 75 SER H H 66 7.899 7.899 8.655 -0.756 18221
4596 1 9 . 1 1 76 76 LEU N N 67 122.743 122.743 121.699 1.044 18221
4597 1 9 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.959 0.091 18221
4598 1 9 . 1 1 76 76 LEU C C 67 178.442 178.442 178.571 -0.129 18221
4599 1 9 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.671 -0.151 18221
4600 1 9 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.542 -0.861 18221
4601 1 9 . 1 1 76 76 LEU H H 67 7.955 7.955 8.118 -0.163 18221
4602 1 9 . 1 1 77 77 VAL N N 68 118.400 118.400 116.397 2.003 18221
4603 1 9 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.563 -0.092 18221
4604 1 9 . 1 1 77 77 VAL C C 68 177.297 177.297 177.109 0.188 18221
4605 1 9 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.164 0.506 18221
4606 1 9 . 1 1 77 77 VAL CB C 68 30.520 30.520 30.963 -0.443 18221
4607 1 9 . 1 1 77 77 VAL H H 68 8.039 8.039 8.438 -0.399 18221
4608 1 9 . 1 1 78 78 ALA N N 69 121.927 121.927 123.086 -1.159 18221
4609 1 9 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.009 0.196 18221
4610 1 9 . 1 1 78 78 ALA C C 69 181.258 181.258 179.549 1.709 18221
4611 1 9 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.300 -0.318 18221
4612 1 9 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.430 -1.016 18221
4613 1 9 . 1 1 78 78 ALA H H 69 7.631 7.631 8.274 -0.643 18221
4614 1 9 . 1 1 79 79 ILE N N 70 119.782 119.782 115.857 3.925 18221
4615 1 9 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.881 -0.085 18221
4616 1 9 . 1 1 79 79 ILE C C 70 178.253 178.253 177.686 0.567 18221
4617 1 9 . 1 1 79 79 ILE CA C 70 64.352 64.352 63.961 0.391 18221
4618 1 9 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.859 -0.786 18221
4619 1 9 . 1 1 79 79 ILE H H 70 7.841 7.841 7.682 0.159 18221
4620 1 9 . 1 1 80 80 LEU N N 71 120.841 120.841 122.260 -1.419 18221
4621 1 9 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.825 0.112 18221
4622 1 9 . 1 1 80 80 LEU C C 71 179.234 179.234 178.552 0.682 18221
4623 1 9 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.882 -1.036 18221
4624 1 9 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.836 -1.817 18221
4625 1 9 . 1 1 80 80 LEU H H 71 8.190 8.190 8.226 -0.036 18221
4626 1 9 . 1 1 81 81 GLN N N 72 117.558 117.558 117.405 0.153 18221
4627 1 9 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.990 -0.021 18221
4628 1 9 . 1 1 81 81 GLN C C 72 178.530 178.530 178.615 -0.085 18221
4629 1 9 . 1 1 81 81 GLN CA C 72 58.819 58.819 58.984 -0.165 18221
4630 1 9 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.580 -1.300 18221
4631 1 9 . 1 1 81 81 GLN H H 72 8.489 8.489 8.201 0.288 18221
4632 1 9 . 1 1 82 82 SER N N 73 116.103 116.103 116.129 -0.026 18221
4633 1 9 . 1 1 82 82 SER HA H 73 4.233 4.233 4.114 0.119 18221
4634 1 9 . 1 1 82 82 SER C C 73 177.243 177.243 176.725 0.518 18221
4635 1 9 . 1 1 82 82 SER CA C 73 61.044 61.044 61.873 -0.829 18221
4636 1 9 . 1 1 82 82 SER CB C 73 62.257 62.257 63.140 -0.883 18221
4637 1 9 . 1 1 82 82 SER H H 73 7.855 7.855 8.167 -0.312 18221
4638 1 9 . 1 1 83 83 VAL N N 74 120.362 120.362 121.208 -0.846 18221
4639 1 9 . 1 1 83 83 VAL C C 74 177.979 177.979 177.459 0.520 18221
4640 1 9 . 1 1 83 83 VAL CA C 74 65.106 65.106 64.855 0.251 18221
4641 1 9 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.358 -0.617 18221
4642 1 9 . 1 1 83 83 VAL H H 74 8.030 8.030 8.062 -0.032 18221
4643 1 9 . 1 1 84 84 GLY N N 75 108.223 108.223 107.325 0.898 18221
4644 1 9 . 1 1 84 84 GLY C C 75 174.913 174.913 175.631 -0.718 18221
4645 1 9 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.155 -0.378 18221
4646 1 9 . 1 1 84 84 GLY H H 75 8.369 8.369 7.848 0.521 18221
4647 1 9 . 1 1 85 85 ALA N N 76 123.550 123.550 124.421 -0.871 18221
4648 1 9 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.119 -0.025 18221
4649 1 9 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.855 -0.257 18221
4650 1 9 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.286 -0.663 18221
4651 1 9 . 1 1 85 85 ALA H H 76 8.115 8.115 8.379 -0.264 18221
4652 1 9 . 1 1 86 86 ALA N N 77 120.410 120.410 120.936 -0.526 18221
4653 1 9 . 1 1 86 86 ALA C C 77 178.988 178.988 179.556 -0.568 18221
4654 1 9 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.384 -0.548 18221
4655 1 9 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.913 -0.403 18221
4656 1 9 . 1 1 86 86 ALA H H 77 8.632 8.632 8.304 0.328 18221
4657 1 9 . 1 1 87 87 GLY N N 78 105.706 105.706 107.385 -1.679 18221
4658 1 9 . 1 1 87 87 GLY C C 78 175.939 175.939 176.142 -0.203 18221
4659 1 9 . 1 1 87 87 GLY CA C 78 46.118 46.118 47.040 -0.922 18221
4660 1 9 . 1 1 87 87 GLY H H 78 8.196 8.196 7.807 0.389 18221
4661 1 9 . 1 1 88 88 LEU N N 79 124.128 124.128 122.299 1.829 18221
4662 1 9 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.286 0.116 18221
4663 1 9 . 1 1 88 88 LEU CB C 79 40.387 40.387 40.944 -0.556 18221
4664 1 9 . 1 1 88 88 LEU H H 79 8.449 8.449 8.052 0.397 18221
4665 1 9 . 1 1 89 89 SER N N 80 116.251 116.251 115.549 0.702 18221
4666 1 9 . 1 1 89 89 SER C C 80 179.153 179.153 176.944 2.209 18221
4667 1 9 . 1 1 89 89 SER CA C 80 61.023 61.023 61.653 -0.630 18221
4668 1 9 . 1 1 89 89 SER CB C 80 62.255 62.255 62.810 -0.555 18221
4669 1 9 . 1 1 89 89 SER H H 80 8.120 8.120 8.363 -0.243 18221
4670 1 9 . 1 1 90 90 VAL N N 81 119.310 119.310 121.415 -2.105 18221
4671 1 9 . 1 1 90 90 VAL C C 81 177.652 177.652 178.463 -0.811 18221
4672 1 9 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.692 -0.616 18221
4673 1 9 . 1 1 90 90 VAL CB C 81 31.330 31.330 30.792 0.538 18221
4674 1 9 . 1 1 90 90 VAL H H 81 7.955 7.955 8.361 -0.406 18221
4675 1 9 . 1 1 91 91 THR N N 82 115.535 115.535 116.970 -1.435 18221
4676 1 9 . 1 1 91 91 THR C C 82 176.571 176.571 176.676 -0.105 18221
4677 1 9 . 1 1 91 91 THR CA C 82 66.434 66.434 66.930 -0.496 18221
4678 1 9 . 1 1 91 91 THR CB C 82 67.742 67.742 68.392 -0.650 18221
4679 1 9 . 1 1 91 91 THR H H 82 7.888 7.888 8.427 -0.539 18221
4680 1 9 . 1 1 92 92 SER N N 83 116.537 116.537 117.875 -1.338 18221
4681 1 9 . 1 1 92 92 SER HA H 83 4.040 4.040 3.955 0.085 18221
4682 1 9 . 1 1 92 92 SER C C 83 176.761 176.761 176.525 0.236 18221
4683 1 9 . 1 1 92 92 SER CA C 83 61.564 61.564 61.817 -0.253 18221
4684 1 9 . 1 1 92 92 SER CB C 83 62.009 62.009 62.709 -0.700 18221
4685 1 9 . 1 1 92 92 SER H H 83 8.212 8.212 8.160 0.052 18221
4686 1 9 . 1 1 93 93 LYS N N 84 122.353 122.353 121.938 0.415 18221
4687 1 9 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.944 0.175 18221
4688 1 9 . 1 1 93 93 LYS C C 84 172.812 172.812 179.174 -6.362 18221
4689 1 9 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.369 -0.934 18221
4690 1 9 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.570 -1.093 18221
4691 1 9 . 1 1 93 93 LYS H H 84 7.642 7.642 8.181 -0.539 18221
4692 1 9 . 1 1 94 94 VAL N N 85 119.348 119.348 117.990 1.358 18221
4693 1 9 . 1 1 94 94 VAL C C 85 177.948 177.948 177.154 0.794 18221
4694 1 9 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.323 0.065 18221
4695 1 9 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.953 -0.107 18221
4696 1 9 . 1 1 94 94 VAL H H 85 8.414 8.414 7.636 0.778 18221
4697 1 9 . 1 1 95 95 ILE N N 86 118.769 118.769 117.422 1.347 18221
4698 1 9 . 1 1 95 95 ILE C C 86 177.972 177.972 176.201 1.771 18221
4699 1 9 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.459 0.378 18221
4700 1 9 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.861 -2.229 18221
4701 1 9 . 1 1 95 95 ILE H H 86 8.169 8.169 7.628 0.541 18221
4702 1 9 . 1 1 96 96 GLY N N 87 107.955 107.955 105.137 2.818 18221
4703 1 9 . 1 1 96 96 GLY C C 87 176.571 176.571 174.220 2.351 18221
4704 1 9 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.767 1.744 18221
4705 1 9 . 1 1 96 96 GLY H H 87 8.182 8.182 8.330 -0.148 18221
4706 1 9 . 1 1 97 97 GLY N N 88 109.117 109.117 110.826 -1.709 18221
4707 1 9 . 1 1 97 97 GLY C C 88 175.524 175.524 173.314 2.210 18221
4708 1 9 . 1 1 97 97 GLY CA C 88 45.832 45.832 46.962 -1.130 18221
4709 1 9 . 1 1 97 97 GLY H H 88 7.953 7.953 8.010 -0.057 18221
4710 1 9 . 1 1 98 98 PHE N N 89 121.100 121.100 117.051 4.049 18221
4711 1 9 . 1 1 98 98 PHE C C 89 176.367 176.367 173.797 2.570 18221
4712 1 9 . 1 1 98 98 PHE CA C 89 56.900 56.900 56.186 0.714 18221
4713 1 9 . 1 1 98 98 PHE CB C 89 38.832 38.832 38.095 0.737 18221
4714 1 9 . 1 1 98 98 PHE H H 89 8.000 8.000 7.537 0.463 18221
4715 1 9 . 1 1 99 99 ALA N N 90 122.834 122.834 128.001 -5.167 18221
4716 1 9 . 1 1 99 99 ALA C C 90 178.348 178.348 176.086 2.262 18221
4717 1 9 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.277 3.000 18221
4718 1 9 . 1 1 99 99 ALA CB C 90 17.414 17.414 19.534 -2.120 18221
4719 1 9 . 1 1 99 99 ALA H H 90 8.322 8.322 8.352 -0.030 18221
4720 1 9 . 1 1 100 100 GLY N N 91 106.688 106.688 107.385 -0.697 18221
4721 1 9 . 1 1 100 100 GLY C C 91 175.878 175.878 173.131 2.747 18221
4722 1 9 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.224 0.402 18221
4723 1 9 . 1 1 100 100 GLY H H 91 8.000 8.000 7.985 0.015 18221
4724 1 9 . 1 1 101 101 THR N N 92 115.689 115.689 110.374 5.315 18221
4725 1 9 . 1 1 101 101 THR C C 92 178.476 178.476 173.422 5.054 18221
4726 1 9 . 1 1 101 101 THR CA C 92 63.364 63.364 62.452 0.912 18221
4727 1 9 . 1 1 101 101 THR CB C 92 69.619 69.619 68.175 1.444 18221
4728 1 9 . 1 1 101 101 THR H H 92 7.754 7.754 8.251 -0.497 18221
4729 1 9 . 1 1 102 102 ALA N N 93 124.835 124.835 123.170 1.665 18221
4730 1 9 . 1 1 102 102 ALA CA C 93 54.311 54.311 51.989 2.322 18221
4731 1 9 . 1 1 102 102 ALA CB C 93 17.679 17.679 19.629 -1.950 18221
4732 1 9 . 1 1 102 102 ALA H H 93 7.919 7.919 7.942 -0.023 18221
4733 1 9 . 1 1 103 103 LEU N N 94 117.445 117.445 121.206 -3.761 18221
4734 1 9 . 1 1 103 103 LEU CA C 94 56.782 56.782 55.832 0.950 18221
4735 1 9 . 1 1 103 103 LEU CB C 94 40.902 40.902 42.891 -1.989 18221
4736 1 9 . 1 1 103 103 LEU H H 94 8.037 8.037 8.291 -0.254 18221
4737 1 9 . 1 1 104 104 GLY N N 95 106.296 106.296 107.353 -1.057 18221
4738 1 9 . 1 1 104 104 GLY C C 95 175.851 175.851 173.479 2.372 18221
4739 1 9 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.509 2.061 18221
4740 1 9 . 1 1 104 104 GLY H H 95 7.900 7.900 7.998 -0.098 18221
4741 1 9 . 1 1 105 105 ALA N N 96 123.872 123.872 121.223 2.649 18221
4742 1 9 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.070 2.056 18221
4743 1 9 . 1 1 105 105 ALA CB C 96 17.587 17.587 19.450 -1.863 18221
4744 1 9 . 1 1 105 105 ALA H H 96 7.804 7.804 8.132 -0.328 18221
4745 1 9 . 1 1 106 106 TRP N N 97 120.348 120.348 124.478 -4.130 18221
4746 1 9 . 1 1 106 106 TRP C C 97 176.857 176.857 175.123 1.734 18221
4747 1 9 . 1 1 106 106 TRP CA C 97 56.900 56.900 56.629 0.271 18221
4748 1 9 . 1 1 106 106 TRP H H 97 8.385 8.385 8.507 -0.122 18221
4749 1 9 . 1 1 107 107 LEU N N 98 117.756 117.756 125.523 -7.767 18221
4750 1 9 . 1 1 107 107 LEU C C 98 177.659 177.659 176.481 1.178 18221
4751 1 9 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.843 -0.740 18221
4752 1 9 . 1 1 107 107 LEU CB C 98 41.418 41.418 41.560 -0.142 18221
4753 1 9 . 1 1 107 107 LEU H H 98 7.880 7.880 8.001 -0.121 18221
4754 1 9 . 1 1 108 108 GLY N N 99 107.285 107.285 110.390 -3.105 18221
4755 1 9 . 1 1 108 108 GLY C C 99 173.815 173.815 172.604 1.211 18221
4756 1 9 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.666 0.281 18221
4757 1 9 . 1 1 108 108 GLY H H 99 7.694 7.694 7.691 0.003 18221
4758 1 9 . 1 1 109 109 SER N N 100 117.139 117.139 115.724 1.415 18221
4759 1 9 . 1 1 109 109 SER C C 100 172.179 172.179 172.075 0.104 18221
4760 1 9 . 1 1 109 109 SER CA C 100 56.015 56.015 57.153 -1.137 18221
4761 1 9 . 1 1 109 109 SER CB C 100 62.771 62.771 64.243 -1.472 18221
4762 1 9 . 1 1 109 109 SER H H 100 8.030 8.030 8.428 -0.398 18221
4763 1 9 . 1 1 111 111 PRO C C 102 177.073 177.073 176.240 0.833 18221
4764 1 9 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.060 -0.862 18221
4765 1 9 . 1 1 111 111 PRO CB C 102 31.211 31.211 32.285 -1.074 18221
4766 1 9 . 1 1 112 112 SER N N 103 117.115 117.115 118.704 -1.589 18221
4767 1 9 . 1 1 112 112 SER C C 103 173.898 173.898 174.913 -1.015 18221
4768 1 9 . 1 1 112 112 SER CA C 103 57.904 57.904 58.561 -0.657 18221
4769 1 9 . 1 1 112 112 SER CB C 103 63.360 63.360 63.668 -0.308 18221
4770 1 9 . 1 1 112 112 SER H H 103 8.345 8.345 8.940 -0.595 18221
4771 1 10 . 1 1 11 11 GLY N N 2 109.366 109.366 109.968 -0.602 18221
4772 1 10 . 1 1 11 11 GLY C C 2 174.543 174.543 172.779 1.764 18221
4773 1 10 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.487 0.208 18221
4774 1 10 . 1 1 11 11 GLY H H 2 8.271 8.271 8.335 -0.064 18221
4775 1 10 . 1 1 12 12 LYS N N 3 121.129 121.129 121.734 -0.605 18221
4776 1 10 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.043 0.089 18221
4777 1 10 . 1 1 12 12 LYS C C 3 177.234 177.234 175.840 1.394 18221
4778 1 10 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.531 0.281 18221
4779 1 10 . 1 1 12 12 LYS CB C 3 31.846 31.846 33.458 -1.612 18221
4780 1 10 . 1 1 12 12 LYS H H 3 8.057 8.057 8.148 -0.091 18221
4781 1 10 . 1 1 13 13 GLU N N 4 120.318 120.318 120.751 -0.433 18221
4782 1 10 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.201 -0.046 18221
4783 1 10 . 1 1 13 13 GLU C C 4 176.857 176.857 177.816 -0.959 18221
4784 1 10 . 1 1 13 13 GLU CA C 4 56.871 56.871 57.112 -0.241 18221
4785 1 10 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.269 -1.881 18221
4786 1 10 . 1 1 13 13 GLU H H 4 8.398 8.398 8.363 0.035 18221
4787 1 10 . 1 1 14 14 SER N N 5 115.504 115.504 115.488 0.016 18221
4788 1 10 . 1 1 14 14 SER HA H 5 3.843 3.843 4.191 -0.348 18221
4789 1 10 . 1 1 14 14 SER C C 5 175.337 175.337 174.964 0.373 18221
4790 1 10 . 1 1 14 14 SER CA C 5 58.524 58.524 60.281 -1.757 18221
4791 1 10 . 1 1 14 14 SER CB C 5 63.360 63.360 63.527 -0.167 18221
4792 1 10 . 1 1 14 14 SER H H 5 8.089 8.089 8.518 -0.429 18221
4793 1 10 . 1 1 15 15 GLY N N 6 110.761 110.761 108.975 1.786 18221
4794 1 10 . 1 1 15 15 GLY C C 6 174.581 174.581 175.265 -0.684 18221
4795 1 10 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.352 0.214 18221
4796 1 10 . 1 1 15 15 GLY H H 6 8.197 8.197 8.199 -0.002 18221
4797 1 10 . 1 1 16 16 TRP N N 7 121.800 121.800 123.126 -1.326 18221
4798 1 10 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.407 0.153 18221
4799 1 10 . 1 1 16 16 TRP C C 7 176.920 176.920 176.545 0.375 18221
4800 1 10 . 1 1 16 16 TRP CA C 7 58.081 58.081 58.375 -0.294 18221
4801 1 10 . 1 1 16 16 TRP CB C 7 28.679 28.679 29.419 -0.740 18221
4802 1 10 . 1 1 16 16 TRP H H 7 8.184 8.184 8.537 -0.353 18221
4803 1 10 . 1 1 17 17 ASP N N 8 121.132 121.132 119.404 1.728 18221
4804 1 10 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.556 -0.161 18221
4805 1 10 . 1 1 17 17 ASP C C 8 176.941 176.941 174.756 2.185 18221
4806 1 10 . 1 1 17 17 ASP CA C 8 56.244 56.244 55.191 1.053 18221
4807 1 10 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.440 -1.495 18221
4808 1 10 . 1 1 17 17 ASP H H 8 8.332 8.332 8.015 0.317 18221
4809 1 10 . 1 1 18 18 SER N N 9 116.148 116.148 115.207 0.941 18221
4810 1 10 . 1 1 18 18 SER HA H 9 3.861 3.861 4.527 -0.666 18221
4811 1 10 . 1 1 18 18 SER CA C 9 60.081 60.081 57.790 2.291 18221
4812 1 10 . 1 1 18 18 SER CB C 9 62.255 62.255 64.789 -2.534 18221
4813 1 10 . 1 1 18 18 SER H H 9 8.129 8.129 8.036 0.093 18221
4814 1 10 . 1 1 19 19 GLY N N 10 110.747 110.747 112.490 -1.743 18221
4815 1 10 . 1 1 19 19 GLY C C 10 174.682 174.682 175.886 -1.204 18221
4816 1 10 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.740 0.860 18221
4817 1 10 . 1 1 19 19 GLY H H 10 8.216 8.216 8.474 -0.258 18221
4818 1 10 . 1 1 20 20 ARG N N 11 121.405 121.405 120.316 1.089 18221
4819 1 10 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.235 -0.378 18221
4820 1 10 . 1 1 20 20 ARG C C 11 178.328 178.328 178.406 -0.078 18221
4821 1 10 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.206 0.879 18221
4822 1 10 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.319 -1.272 18221
4823 1 10 . 1 1 20 20 ARG H H 11 8.158 8.158 8.485 -0.327 18221
4824 1 10 . 1 1 21 21 ALA N N 12 122.167 122.167 122.652 -0.485 18221
4825 1 10 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.066 0.034 18221
4826 1 10 . 1 1 21 21 ALA C C 12 180.129 180.129 179.243 0.886 18221
4827 1 10 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.647 -0.255 18221
4828 1 10 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.995 -0.582 18221
4829 1 10 . 1 1 21 21 ALA H H 12 7.963 7.963 8.291 -0.328 18221
4830 1 10 . 1 1 22 22 ALA N N 13 122.150 122.150 121.635 0.515 18221
4831 1 10 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.838 0.199 18221
4832 1 10 . 1 1 22 22 ALA C C 13 179.095 179.095 179.470 -0.375 18221
4833 1 10 . 1 1 22 22 ALA CA C 13 54.716 54.716 55.093 -0.377 18221
4834 1 10 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.063 -0.502 18221
4835 1 10 . 1 1 22 22 ALA H H 13 7.881 7.881 8.223 -0.342 18221
4836 1 10 . 1 1 23 23 VAL N N 14 117.107 117.107 118.881 -1.774 18221
4837 1 10 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.613 -0.133 18221
4838 1 10 . 1 1 23 23 VAL C C 14 177.586 177.586 177.887 -0.301 18221
4839 1 10 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.775 0.423 18221
4840 1 10 . 1 1 23 23 VAL CB C 14 30.520 30.520 31.099 -0.579 18221
4841 1 10 . 1 1 23 23 VAL H H 14 7.888 7.888 8.095 -0.207 18221
4842 1 10 . 1 1 24 24 ALA N N 15 121.333 121.333 121.645 -0.312 18221
4843 1 10 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.961 0.020 18221
4844 1 10 . 1 1 24 24 ALA C C 15 180.373 180.373 179.367 1.006 18221
4845 1 10 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.189 -0.178 18221
4846 1 10 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.958 -0.706 18221
4847 1 10 . 1 1 24 24 ALA H H 15 8.037 8.037 7.822 0.215 18221
4848 1 10 . 1 1 25 25 ALA N N 16 121.158 121.158 119.007 2.151 18221
4849 1 10 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.071 0.075 18221
4850 1 10 . 1 1 25 25 ALA C C 16 179.828 179.828 179.741 0.087 18221
4851 1 10 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.674 -0.223 18221
4852 1 10 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.297 -0.810 18221
4853 1 10 . 1 1 25 25 ALA H H 16 7.819 7.819 7.960 -0.141 18221
4854 1 10 . 1 1 26 26 VAL N N 17 118.417 118.417 118.146 0.271 18221
4855 1 10 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.801 -0.023 18221
4856 1 10 . 1 1 26 26 VAL C C 17 178.020 178.020 177.121 0.899 18221
4857 1 10 . 1 1 26 26 VAL CA C 17 65.578 65.578 64.911 0.667 18221
4858 1 10 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.863 -0.779 18221
4859 1 10 . 1 1 26 26 VAL H H 17 7.848 7.848 7.520 0.328 18221
4860 1 10 . 1 1 27 27 VAL N N 18 119.240 119.240 118.588 0.652 18221
4861 1 10 . 1 1 27 27 VAL C C 18 177.719 177.719 178.087 -0.368 18221
4862 1 10 . 1 1 27 27 VAL CA C 18 65.991 65.991 63.546 2.445 18221
4863 1 10 . 1 1 27 27 VAL CB C 18 30.187 30.187 31.636 -1.449 18221
4864 1 10 . 1 1 27 27 VAL H H 18 8.377 8.377 7.871 0.506 18221
4865 1 10 . 1 1 28 28 GLY N N 19 106.009 106.009 109.535 -3.526 18221
4866 1 10 . 1 1 28 28 GLY C C 19 176.212 176.212 174.302 1.910 18221
4867 1 10 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.981 -0.737 18221
4868 1 10 . 1 1 28 28 GLY H H 19 8.122 8.122 7.897 0.225 18221
4869 1 10 . 1 1 29 29 GLY N N 20 110.216 110.216 107.298 2.918 18221
4870 1 10 . 1 1 29 29 GLY C C 20 174.097 174.097 174.415 -0.318 18221
4871 1 10 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.442 1.892 18221
4872 1 10 . 1 1 29 29 GLY H H 20 8.039 8.039 7.513 0.526 18221
4873 1 10 . 1 1 30 30 VAL N N 21 121.188 121.188 125.418 -4.230 18221
4874 1 10 . 1 1 30 30 VAL C C 21 177.073 177.073 177.297 -0.224 18221
4875 1 10 . 1 1 30 30 VAL CA C 21 62.574 62.574 66.341 -3.767 18221
4876 1 10 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.711 -0.921 18221
4877 1 10 . 1 1 30 30 VAL H H 21 7.983 7.983 8.581 -0.598 18221
4878 1 10 . 1 1 32 32 ALA N N 23 125.091 125.091 121.588 3.503 18221
4879 1 10 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.074 0.186 18221
4880 1 10 . 1 1 32 32 ALA C C 23 179.523 179.523 180.108 -0.585 18221
4881 1 10 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.033 -1.350 18221
4882 1 10 . 1 1 32 32 ALA CB C 23 16.383 16.383 17.897 -1.514 18221
4883 1 10 . 1 1 32 32 ALA H H 23 8.036 8.036 8.161 -0.125 18221
4884 1 10 . 1 1 33 33 VAL N N 24 118.793 118.793 117.692 1.101 18221
4885 1 10 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.622 0.086 18221
4886 1 10 . 1 1 33 33 VAL C C 24 177.901 177.901 178.019 -0.118 18221
4887 1 10 . 1 1 33 33 VAL CA C 24 65.430 65.430 65.917 -0.487 18221
4888 1 10 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.421 -0.103 18221
4889 1 10 . 1 1 33 33 VAL H H 24 8.195 8.195 8.095 0.100 18221
4890 1 10 . 1 1 34 34 GLY N N 25 108.367 108.367 108.329 0.038 18221
4891 1 10 . 1 1 34 34 GLY C C 25 175.424 175.424 175.722 -0.298 18221
4892 1 10 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.588 -0.254 18221
4893 1 10 . 1 1 34 34 GLY H H 25 8.651 8.651 8.276 0.375 18221
4894 1 10 . 1 1 35 35 THR N N 26 116.448 116.448 119.668 -3.220 18221
4895 1 10 . 1 1 35 35 THR C C 26 176.843 176.843 176.860 -0.017 18221
4896 1 10 . 1 1 35 35 THR CA C 26 65.962 65.962 67.088 -1.126 18221
4897 1 10 . 1 1 35 35 THR CB C 26 68.414 68.414 68.870 -0.456 18221
4898 1 10 . 1 1 35 35 THR H H 26 7.975 7.975 8.258 -0.283 18221
4899 1 10 . 1 1 36 36 VAL N N 27 122.810 122.810 121.443 1.367 18221
4900 1 10 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.653 0.066 18221
4901 1 10 . 1 1 36 36 VAL C C 27 177.618 177.618 177.712 -0.094 18221
4902 1 10 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.769 -1.043 18221
4903 1 10 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.161 -0.494 18221
4904 1 10 . 1 1 36 36 VAL H H 27 7.559 7.559 8.069 -0.510 18221
4905 1 10 . 1 1 37 37 LEU N N 28 119.566 119.566 120.146 -0.580 18221
4906 1 10 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.897 0.056 18221
4907 1 10 . 1 1 37 37 LEU C C 28 179.666 179.666 179.121 0.545 18221
4908 1 10 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.379 -0.534 18221
4909 1 10 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.840 -1.673 18221
4910 1 10 . 1 1 37 37 LEU H H 28 8.086 8.086 7.962 0.124 18221
4911 1 10 . 1 1 38 38 VAL N N 29 119.468 119.468 118.744 0.724 18221
4912 1 10 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.548 0.105 18221
4913 1 10 . 1 1 38 38 VAL C C 29 178.639 178.639 177.860 0.779 18221
4914 1 10 . 1 1 38 38 VAL CA C 29 65.473 65.473 67.164 -1.691 18221
4915 1 10 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.221 -0.612 18221
4916 1 10 . 1 1 38 38 VAL H H 29 8.066 8.066 8.420 -0.354 18221
4917 1 10 . 1 1 39 39 ALA N N 30 124.255 124.255 123.031 1.224 18221
4918 1 10 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.031 0.134 18221
4919 1 10 . 1 1 39 39 ALA C C 30 180.303 180.303 178.809 1.494 18221
4920 1 10 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.046 -0.212 18221
4921 1 10 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.609 -0.901 18221
4922 1 10 . 1 1 39 39 ALA H H 30 7.688 7.688 7.856 -0.168 18221
4923 1 10 . 1 1 40 40 LEU N N 31 118.268 118.268 118.094 0.174 18221
4924 1 10 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.037 0.104 18221
4925 1 10 . 1 1 40 40 LEU C C 31 179.271 179.271 179.056 0.215 18221
4926 1 10 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.915 -0.837 18221
4927 1 10 . 1 1 40 40 LEU CB C 31 40.902 40.902 41.954 -1.052 18221
4928 1 10 . 1 1 40 40 LEU H H 31 8.326 8.326 7.899 0.427 18221
4929 1 10 . 1 1 41 41 SER N N 32 114.984 114.984 112.805 2.179 18221
4930 1 10 . 1 1 41 41 SER HA H 32 3.952 3.952 4.225 -0.273 18221
4931 1 10 . 1 1 41 41 SER C C 32 176.284 176.284 175.527 0.757 18221
4932 1 10 . 1 1 41 41 SER CA C 32 60.885 60.885 60.494 0.391 18221
4933 1 10 . 1 1 41 41 SER CB C 32 62.410 62.410 62.918 -0.508 18221
4934 1 10 . 1 1 41 41 SER H H 32 8.062 8.062 8.258 -0.196 18221
4935 1 10 . 1 1 42 42 ALA N N 33 124.588 124.588 122.526 2.062 18221
4936 1 10 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.164 0.061 18221
4937 1 10 . 1 1 42 42 ALA C C 33 179.033 179.033 178.685 0.348 18221
4938 1 10 . 1 1 42 42 ALA CA C 33 53.713 53.713 53.500 0.213 18221
4939 1 10 . 1 1 42 42 ALA CB C 33 17.929 17.929 19.311 -1.382 18221
4940 1 10 . 1 1 42 42 ALA H H 33 7.813 7.813 7.844 -0.031 18221
4941 1 10 . 1 1 43 43 MET N N 34 116.808 116.808 113.682 3.126 18221
4942 1 10 . 1 1 43 43 MET HA H 34 4.285 4.285 4.048 0.237 18221
4943 1 10 . 1 1 43 43 MET C C 34 176.807 176.807 176.482 0.325 18221
4944 1 10 . 1 1 43 43 MET CA C 34 56.576 56.576 57.883 -1.307 18221
4945 1 10 . 1 1 43 43 MET CB C 34 32.435 32.435 31.740 0.695 18221
4946 1 10 . 1 1 43 43 MET H H 34 7.691 7.691 8.631 -0.940 18221
4947 1 10 . 1 1 44 44 GLY N N 35 107.020 107.020 108.071 -1.051 18221
4948 1 10 . 1 1 44 44 GLY C C 35 174.493 174.493 173.602 0.891 18221
4949 1 10 . 1 1 44 44 GLY CA C 35 45.065 45.065 44.821 0.244 18221
4950 1 10 . 1 1 44 44 GLY H H 35 7.793 7.793 8.253 -0.460 18221
4951 1 10 . 1 1 45 45 PHE N N 36 120.285 120.285 119.124 1.161 18221
4952 1 10 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.119 0.388 18221
4953 1 10 . 1 1 45 45 PHE C C 36 176.876 176.876 175.165 1.711 18221
4954 1 10 . 1 1 45 45 PHE CA C 36 58.937 58.937 58.059 0.878 18221
4955 1 10 . 1 1 45 45 PHE CB C 36 38.178 38.178 39.424 -1.246 18221
4956 1 10 . 1 1 45 45 PHE H H 36 8.215 8.215 7.937 0.278 18221
4957 1 10 . 1 1 46 46 THR N N 37 114.008 114.008 117.908 -3.900 18221
4958 1 10 . 1 1 46 46 THR HA H 37 4.080 4.080 4.267 -0.187 18221
4959 1 10 . 1 1 46 46 THR C C 37 175.751 175.751 174.999 0.752 18221
4960 1 10 . 1 1 46 46 THR CA C 37 64.220 64.220 64.809 -0.589 18221
4961 1 10 . 1 1 46 46 THR CB C 37 68.514 68.514 69.248 -0.734 18221
4962 1 10 . 1 1 46 46 THR H H 37 8.111 8.111 8.310 -0.199 18221
4963 1 10 . 1 1 47 47 SER N N 38 116.646 116.646 111.819 4.827 18221
4964 1 10 . 1 1 47 47 SER HA H 38 3.918 3.918 4.578 -0.660 18221
4965 1 10 . 1 1 47 47 SER C C 38 176.744 176.744 173.192 3.552 18221
4966 1 10 . 1 1 47 47 SER CA C 38 59.911 59.911 58.393 1.518 18221
4967 1 10 . 1 1 47 47 SER CB C 38 62.624 62.624 64.083 -1.459 18221
4968 1 10 . 1 1 47 47 SER H H 38 8.079 8.079 7.818 0.261 18221
4969 1 10 . 1 1 48 48 VAL N N 39 121.929 121.929 122.033 -0.104 18221
4970 1 10 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.806 0.103 18221
4971 1 10 . 1 1 48 48 VAL C C 39 177.033 177.033 176.903 0.130 18221
4972 1 10 . 1 1 48 48 VAL CA C 39 64.988 64.988 63.578 1.410 18221
4973 1 10 . 1 1 48 48 VAL CB C 39 30.667 30.667 32.723 -2.056 18221
4974 1 10 . 1 1 48 48 VAL H H 39 7.985 7.985 8.004 -0.019 18221
4975 1 10 . 1 1 49 49 GLY N N 40 108.633 108.633 111.487 -2.854 18221
4976 1 10 . 1 1 49 49 GLY C C 40 176.038 176.038 176.192 -0.154 18221
4977 1 10 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.627 -0.762 18221
4978 1 10 . 1 1 49 49 GLY H H 40 8.267 8.267 8.650 -0.383 18221
4979 1 10 . 1 1 50 50 ILE N N 41 122.466 122.466 122.856 -0.390 18221
4980 1 10 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.614 0.257 18221
4981 1 10 . 1 1 50 50 ILE C C 41 178.363 178.363 178.011 0.352 18221
4982 1 10 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.108 -0.593 18221
4983 1 10 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.590 -0.352 18221
4984 1 10 . 1 1 50 50 ILE H H 41 7.865 7.865 7.923 -0.058 18221
4985 1 10 . 1 1 51 51 ALA N N 42 125.064 125.064 120.832 4.232 18221
4986 1 10 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.978 0.121 18221
4987 1 10 . 1 1 51 51 ALA C C 42 179.385 179.385 179.365 0.020 18221
4988 1 10 . 1 1 51 51 ALA CA C 42 54.480 54.480 54.989 -0.509 18221
4989 1 10 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.928 -0.441 18221
4990 1 10 . 1 1 51 51 ALA H H 42 7.930 7.930 8.291 -0.361 18221
4991 1 10 . 1 1 52 52 ALA N N 43 120.594 120.594 120.576 0.018 18221
4992 1 10 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.053 -0.116 18221
4993 1 10 . 1 1 52 52 ALA C C 43 179.088 179.088 179.949 -0.861 18221
4994 1 10 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.815 0.285 18221
4995 1 10 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.009 -0.374 18221
4996 1 10 . 1 1 52 52 ALA H H 43 8.639 8.639 8.075 0.564 18221
4997 1 10 . 1 1 53 53 SER N N 44 113.012 113.012 115.123 -2.111 18221
4998 1 10 . 1 1 53 53 SER HA H 44 3.966 3.966 4.221 -0.255 18221
4999 1 10 . 1 1 53 53 SER C C 44 176.898 176.898 176.757 0.141 18221
5000 1 10 . 1 1 53 53 SER CA C 44 61.139 61.139 61.434 -0.296 18221
5001 1 10 . 1 1 53 53 SER CB C 44 62.347 62.347 63.150 -0.803 18221
5002 1 10 . 1 1 53 53 SER H H 44 8.193 8.193 8.305 -0.112 18221
5003 1 10 . 1 1 54 54 SER N N 45 118.714 118.714 119.043 -0.329 18221
5004 1 10 . 1 1 54 54 SER HA H 45 3.975 3.975 4.108 -0.133 18221
5005 1 10 . 1 1 54 54 SER C C 45 177.131 177.131 176.678 0.453 18221
5006 1 10 . 1 1 54 54 SER CA C 45 61.210 61.210 62.180 -0.970 18221
5007 1 10 . 1 1 54 54 SER CB C 45 62.255 62.255 63.138 -0.883 18221
5008 1 10 . 1 1 54 54 SER H H 45 7.944 7.944 8.047 -0.103 18221
5009 1 10 . 1 1 55 55 ILE N N 46 122.912 122.912 121.451 1.461 18221
5010 1 10 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.775 -0.018 18221
5011 1 10 . 1 1 55 55 ILE C C 46 177.813 177.813 177.335 0.478 18221
5012 1 10 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.292 -0.101 18221
5013 1 10 . 1 1 55 55 ILE CB C 46 36.926 36.926 38.096 -1.170 18221
5014 1 10 . 1 1 55 55 ILE H H 46 8.028 8.028 8.196 -0.168 18221
5015 1 10 . 1 1 56 56 ALA N N 47 122.990 122.990 122.735 0.255 18221
5016 1 10 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.031 -0.075 18221
5017 1 10 . 1 1 56 56 ALA C C 47 180.294 180.294 178.841 1.453 18221
5018 1 10 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.546 -0.208 18221
5019 1 10 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.475 -0.773 18221
5020 1 10 . 1 1 56 56 ALA H H 47 8.333 8.333 7.770 0.563 18221
5021 1 10 . 1 1 57 57 ALA N N 48 121.988 121.988 120.830 1.158 18221
5022 1 10 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.154 -0.086 18221
5023 1 10 . 1 1 57 57 ALA CA C 48 54.421 54.421 53.437 0.984 18221
5024 1 10 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.399 -1.697 18221
5025 1 10 . 1 1 57 57 ALA H H 48 7.879 7.879 7.831 0.048 18221
5026 1 10 . 1 1 58 58 LYS N N 49 119.094 119.094 114.954 4.140 18221
5027 1 10 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.836 0.310 18221
5028 1 10 . 1 1 58 58 LYS C C 49 179.649 179.649 175.407 4.242 18221
5029 1 10 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.832 0.325 18221
5030 1 10 . 1 1 58 58 LYS CB C 49 31.330 31.330 29.545 1.785 18221
5031 1 10 . 1 1 58 58 LYS H H 49 7.727 7.727 7.837 -0.110 18221
5032 1 10 . 1 1 59 59 MET N N 50 120.498 120.498 119.305 1.193 18221
5033 1 10 . 1 1 59 59 MET HA H 50 4.156 4.156 4.512 -0.356 18221
5034 1 10 . 1 1 59 59 MET C C 50 177.949 177.949 176.028 1.921 18221
5035 1 10 . 1 1 59 59 MET CA C 50 57.136 57.136 54.986 2.150 18221
5036 1 10 . 1 1 59 59 MET CB C 50 31.922 31.922 33.782 -1.860 18221
5037 1 10 . 1 1 59 59 MET H H 50 8.395 8.395 7.988 0.407 18221
5038 1 10 . 1 1 60 60 MET N N 51 117.689 117.689 126.347 -8.658 18221
5039 1 10 . 1 1 60 60 MET HA H 51 4.222 4.222 4.269 -0.047 18221
5040 1 10 . 1 1 60 60 MET C C 51 177.674 177.674 175.562 2.112 18221
5041 1 10 . 1 1 60 60 MET CA C 51 57.638 57.638 57.195 0.443 18221
5042 1 10 . 1 1 60 60 MET CB C 51 31.785 31.785 32.284 -0.499 18221
5043 1 10 . 1 1 60 60 MET H H 51 8.234 8.234 8.824 -0.590 18221
5044 1 10 . 1 1 61 61 SER N N 52 114.385 114.385 116.661 -2.276 18221
5045 1 10 . 1 1 61 61 SER HA H 52 4.001 4.001 4.530 -0.529 18221
5046 1 10 . 1 1 61 61 SER C C 52 176.079 176.079 173.788 2.291 18221
5047 1 10 . 1 1 61 61 SER CA C 52 59.911 59.911 58.677 1.234 18221
5048 1 10 . 1 1 61 61 SER CB C 52 62.624 62.624 64.241 -1.617 18221
5049 1 10 . 1 1 61 61 SER H H 52 7.893 7.893 8.666 -0.773 18221
5050 1 10 . 1 1 62 62 THR N N 53 117.304 117.304 116.357 0.947 18221
5051 1 10 . 1 1 62 62 THR HA H 53 4.104 4.104 4.676 -0.572 18221
5052 1 10 . 1 1 62 62 THR C C 53 175.436 175.436 174.585 0.851 18221
5053 1 10 . 1 1 62 62 THR CA C 53 64.220 64.220 61.059 3.161 18221
5054 1 10 . 1 1 62 62 THR CB C 53 68.514 68.514 69.325 -0.811 18221
5055 1 10 . 1 1 62 62 THR H H 53 7.794 7.794 8.215 -0.421 18221
5056 1 10 . 1 1 63 63 ALA N N 54 125.382 125.382 129.582 -4.200 18221
5057 1 10 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.278 -0.184 18221
5058 1 10 . 1 1 63 63 ALA C C 54 178.328 178.328 176.611 1.717 18221
5059 1 10 . 1 1 63 63 ALA CA C 54 54.096 54.096 53.373 0.723 18221
5060 1 10 . 1 1 63 63 ALA CB C 54 17.708 17.708 19.169 -1.462 18221
5061 1 10 . 1 1 63 63 ALA H H 54 8.204 8.204 8.395 -0.191 18221
5062 1 10 . 1 1 64 64 ALA N N 55 119.929 119.929 119.849 0.080 18221
5063 1 10 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.569 -0.444 18221
5064 1 10 . 1 1 64 64 ALA C C 55 179.183 179.183 176.936 2.247 18221
5065 1 10 . 1 1 64 64 ALA CA C 55 54.037 54.037 50.730 3.307 18221
5066 1 10 . 1 1 64 64 ALA CB C 55 17.708 17.708 20.503 -2.795 18221
5067 1 10 . 1 1 64 64 ALA H H 55 7.951 7.951 7.594 0.357 18221
5068 1 10 . 1 1 65 65 ILE N N 56 117.016 117.016 118.341 -1.325 18221
5069 1 10 . 1 1 65 65 ILE HA H 56 3.950 3.950 3.992 -0.042 18221
5070 1 10 . 1 1 65 65 ILE C C 56 177.222 177.222 176.129 1.093 18221
5071 1 10 . 1 1 65 65 ILE CA C 56 62.184 62.184 61.338 0.846 18221
5072 1 10 . 1 1 65 65 ILE CB C 56 37.073 37.073 38.290 -1.217 18221
5073 1 10 . 1 1 65 65 ILE H H 56 7.561 7.561 8.579 -1.018 18221
5074 1 10 . 1 1 66 66 ALA N N 57 124.191 124.191 125.711 -1.520 18221
5075 1 10 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.216 -0.039 18221
5076 1 10 . 1 1 66 66 ALA C C 57 178.190 178.190 176.619 1.571 18221
5077 1 10 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.510 1.026 18221
5078 1 10 . 1 1 66 66 ALA CB C 57 17.929 17.929 17.306 0.623 18221
5079 1 10 . 1 1 66 66 ALA H H 57 7.982 7.982 8.305 -0.323 18221
5080 1 10 . 1 1 67 67 ASN N N 58 116.132 116.132 122.465 -6.333 18221
5081 1 10 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.687 -0.014 18221
5082 1 10 . 1 1 67 67 ASN C C 58 176.344 176.344 175.158 1.186 18221
5083 1 10 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.842 -0.365 18221
5084 1 10 . 1 1 67 67 ASN CB C 58 38.472 38.472 39.745 -1.273 18221
5085 1 10 . 1 1 67 67 ASN H H 58 8.113 8.113 8.212 -0.099 18221
5086 1 10 . 1 1 68 68 GLY N N 59 108.808 108.808 114.129 -5.321 18221
5087 1 10 . 1 1 68 68 GLY C C 59 174.958 174.958 173.957 1.001 18221
5088 1 10 . 1 1 68 68 GLY CA C 59 45.655 45.655 45.693 -0.038 18221
5089 1 10 . 1 1 68 68 GLY H H 59 8.152 8.152 8.469 -0.317 18221
5090 1 10 . 1 1 69 69 GLY N N 60 108.832 108.832 110.597 -1.765 18221
5091 1 10 . 1 1 69 69 GLY C C 60 174.631 174.631 173.774 0.857 18221
5092 1 10 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.846 0.572 18221
5093 1 10 . 1 1 69 69 GLY H H 60 8.218 8.218 8.213 0.005 18221
5094 1 10 . 1 1 70 70 GLY N N 61 108.966 108.966 107.967 0.999 18221
5095 1 10 . 1 1 70 70 GLY C C 61 174.594 174.594 174.074 0.520 18221
5096 1 10 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.463 0.897 18221
5097 1 10 . 1 1 70 70 GLY H H 61 8.175 8.175 7.831 0.344 18221
5098 1 10 . 1 1 71 71 VAL N N 62 120.209 120.209 120.735 -0.526 18221
5099 1 10 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.655 0.351 18221
5100 1 10 . 1 1 71 71 VAL C C 62 176.077 176.077 177.690 -1.613 18221
5101 1 10 . 1 1 71 71 VAL CA C 62 62.390 62.390 64.287 -1.897 18221
5102 1 10 . 1 1 71 71 VAL CB C 62 31.698 31.698 31.768 -0.070 18221
5103 1 10 . 1 1 71 71 VAL H H 62 7.882 7.882 8.230 -0.348 18221
5104 1 10 . 1 1 72 72 ALA N N 63 126.966 126.966 120.492 6.474 18221
5105 1 10 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.204 -0.178 18221
5106 1 10 . 1 1 72 72 ALA C C 63 178.064 178.064 176.838 1.226 18221
5107 1 10 . 1 1 72 72 ALA CA C 63 52.503 52.503 53.244 -0.741 18221
5108 1 10 . 1 1 72 72 ALA CB C 63 18.225 18.225 18.747 -0.521 18221
5109 1 10 . 1 1 72 72 ALA H H 63 8.237 8.237 7.877 0.360 18221
5110 1 10 . 1 1 73 73 ALA N N 64 123.432 123.432 121.373 2.059 18221
5111 1 10 . 1 1 73 73 ALA HA H 64 4.015 4.015 3.997 0.018 18221
5112 1 10 . 1 1 73 73 ALA C C 64 178.995 178.995 176.362 2.633 18221
5113 1 10 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.243 2.178 18221
5114 1 10 . 1 1 73 73 ALA CB C 64 18.003 18.003 18.369 -0.366 18221
5115 1 10 . 1 1 73 73 ALA H H 64 8.421 8.421 8.217 0.204 18221
5116 1 10 . 1 1 74 74 GLY N N 65 105.577 105.577 108.271 -2.694 18221
5117 1 10 . 1 1 74 74 GLY C C 65 176.367 176.367 174.917 1.450 18221
5118 1 10 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.918 1.326 18221
5119 1 10 . 1 1 74 74 GLY H H 65 8.448 8.448 7.839 0.609 18221
5120 1 10 . 1 1 75 75 SER N N 66 117.656 117.656 117.429 0.227 18221
5121 1 10 . 1 1 75 75 SER HA H 66 4.394 4.394 4.188 0.206 18221
5122 1 10 . 1 1 75 75 SER C C 66 176.329 176.329 176.200 0.129 18221
5123 1 10 . 1 1 75 75 SER CA C 66 60.236 60.236 61.035 -0.799 18221
5124 1 10 . 1 1 75 75 SER CB C 66 62.476 62.476 62.974 -0.498 18221
5125 1 10 . 1 1 75 75 SER H H 66 7.899 7.899 8.613 -0.714 18221
5126 1 10 . 1 1 76 76 LEU N N 67 122.743 122.743 121.676 1.067 18221
5127 1 10 . 1 1 76 76 LEU HA H 67 4.050 4.050 4.107 -0.057 18221
5128 1 10 . 1 1 76 76 LEU C C 67 178.442 178.442 178.559 -0.117 18221
5129 1 10 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.313 0.207 18221
5130 1 10 . 1 1 76 76 LEU CB C 67 40.681 40.681 40.932 -0.251 18221
5131 1 10 . 1 1 76 76 LEU H H 67 7.955 7.955 7.847 0.108 18221
5132 1 10 . 1 1 77 77 VAL N N 68 118.400 118.400 119.874 -1.474 18221
5133 1 10 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.647 -0.176 18221
5134 1 10 . 1 1 77 77 VAL C C 68 177.297 177.297 177.817 -0.520 18221
5135 1 10 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.278 0.392 18221
5136 1 10 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.087 -0.567 18221
5137 1 10 . 1 1 77 77 VAL H H 68 8.039 8.039 8.282 -0.243 18221
5138 1 10 . 1 1 78 78 ALA N N 69 121.927 121.927 121.704 0.223 18221
5139 1 10 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.067 0.138 18221
5140 1 10 . 1 1 78 78 ALA C C 69 181.258 181.258 179.506 1.752 18221
5141 1 10 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.377 -0.395 18221
5142 1 10 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.090 -0.676 18221
5143 1 10 . 1 1 78 78 ALA H H 69 7.631 7.631 7.883 -0.252 18221
5144 1 10 . 1 1 79 79 ILE N N 70 119.782 119.782 120.245 -0.463 18221
5145 1 10 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.810 -0.014 18221
5146 1 10 . 1 1 79 79 ILE C C 70 178.253 178.253 178.129 0.124 18221
5147 1 10 . 1 1 79 79 ILE CA C 70 64.352 64.352 64.545 -0.193 18221
5148 1 10 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.112 -0.039 18221
5149 1 10 . 1 1 79 79 ILE H H 70 7.841 7.841 7.177 0.664 18221
5150 1 10 . 1 1 80 80 LEU N N 71 120.841 120.841 119.621 1.220 18221
5151 1 10 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.914 0.023 18221
5152 1 10 . 1 1 80 80 LEU C C 71 179.234 179.234 179.326 -0.092 18221
5153 1 10 . 1 1 80 80 LEU CA C 71 57.845 57.845 57.900 -0.055 18221
5154 1 10 . 1 1 80 80 LEU CB C 71 40.019 40.019 40.485 -0.466 18221
5155 1 10 . 1 1 80 80 LEU H H 71 8.190 8.190 8.581 -0.391 18221
5156 1 10 . 1 1 81 81 GLN N N 72 117.558 117.558 118.370 -0.812 18221
5157 1 10 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.950 0.019 18221
5158 1 10 . 1 1 81 81 GLN C C 72 178.530 178.530 178.983 -0.453 18221
5159 1 10 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.269 -0.450 18221
5160 1 10 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.654 -1.374 18221
5161 1 10 . 1 1 81 81 GLN H H 72 8.489 8.489 8.099 0.390 18221
5162 1 10 . 1 1 82 82 SER N N 73 116.103 116.103 115.911 0.192 18221
5163 1 10 . 1 1 82 82 SER HA H 73 4.233 4.233 4.243 -0.010 18221
5164 1 10 . 1 1 82 82 SER C C 73 177.243 177.243 176.941 0.302 18221
5165 1 10 . 1 1 82 82 SER CA C 73 61.044 61.044 61.828 -0.784 18221
5166 1 10 . 1 1 82 82 SER CB C 73 62.257 62.257 63.039 -0.782 18221
5167 1 10 . 1 1 82 82 SER H H 73 7.855 7.855 8.149 -0.294 18221
5168 1 10 . 1 1 83 83 VAL N N 74 120.362 120.362 121.489 -1.127 18221
5169 1 10 . 1 1 83 83 VAL C C 74 177.979 177.979 177.812 0.167 18221
5170 1 10 . 1 1 83 83 VAL CA C 74 65.106 65.106 66.291 -1.185 18221
5171 1 10 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.021 -0.280 18221
5172 1 10 . 1 1 83 83 VAL H H 74 8.030 8.030 8.296 -0.266 18221
5173 1 10 . 1 1 84 84 GLY N N 75 108.223 108.223 106.187 2.036 18221
5174 1 10 . 1 1 84 84 GLY C C 75 174.913 174.913 175.589 -0.676 18221
5175 1 10 . 1 1 84 84 GLY CA C 75 46.777 46.777 46.841 -0.064 18221
5176 1 10 . 1 1 84 84 GLY H H 75 8.369 8.369 7.943 0.426 18221
5177 1 10 . 1 1 85 85 ALA N N 76 123.550 123.550 124.658 -1.108 18221
5178 1 10 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.070 0.024 18221
5179 1 10 . 1 1 85 85 ALA CA C 76 54.598 54.598 55.034 -0.436 18221
5180 1 10 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.240 -0.617 18221
5181 1 10 . 1 1 85 85 ALA H H 76 8.115 8.115 8.051 0.064 18221
5182 1 10 . 1 1 86 86 ALA N N 77 120.410 120.410 121.214 -0.804 18221
5183 1 10 . 1 1 86 86 ALA C C 77 178.988 178.988 179.696 -0.708 18221
5184 1 10 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.234 -0.398 18221
5185 1 10 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.958 -0.448 18221
5186 1 10 . 1 1 86 86 ALA H H 77 8.632 8.632 8.189 0.443 18221
5187 1 10 . 1 1 87 87 GLY N N 78 105.706 105.706 107.722 -2.016 18221
5188 1 10 . 1 1 87 87 GLY C C 78 175.939 175.939 176.297 -0.358 18221
5189 1 10 . 1 1 87 87 GLY CA C 78 46.118 46.118 47.178 -1.060 18221
5190 1 10 . 1 1 87 87 GLY H H 78 8.196 8.196 7.886 0.310 18221
5191 1 10 . 1 1 88 88 LEU N N 79 124.128 124.128 121.979 2.149 18221
5192 1 10 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.206 0.196 18221
5193 1 10 . 1 1 88 88 LEU CB C 79 40.387 40.387 40.651 -0.264 18221
5194 1 10 . 1 1 88 88 LEU H H 79 8.449 8.449 8.208 0.241 18221
5195 1 10 . 1 1 89 89 SER N N 80 116.251 116.251 115.490 0.761 18221
5196 1 10 . 1 1 89 89 SER C C 80 179.153 179.153 176.799 2.354 18221
5197 1 10 . 1 1 89 89 SER CA C 80 61.023 61.023 62.225 -1.202 18221
5198 1 10 . 1 1 89 89 SER CB C 80 62.255 62.255 62.885 -0.630 18221
5199 1 10 . 1 1 89 89 SER H H 80 8.120 8.120 8.317 -0.197 18221
5200 1 10 . 1 1 90 90 VAL N N 81 119.310 119.310 121.662 -2.352 18221
5201 1 10 . 1 1 90 90 VAL C C 81 177.652 177.652 177.852 -0.200 18221
5202 1 10 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.417 -0.341 18221
5203 1 10 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.806 -0.476 18221
5204 1 10 . 1 1 90 90 VAL H H 81 7.955 7.955 8.304 -0.349 18221
5205 1 10 . 1 1 91 91 THR N N 82 115.535 115.535 116.174 -0.639 18221
5206 1 10 . 1 1 91 91 THR C C 82 176.571 176.571 176.492 0.079 18221
5207 1 10 . 1 1 91 91 THR CA C 82 66.434 66.434 67.627 -1.194 18221
5208 1 10 . 1 1 91 91 THR CB C 82 67.742 67.742 68.648 -0.906 18221
5209 1 10 . 1 1 91 91 THR H H 82 7.888 7.888 8.322 -0.434 18221
5210 1 10 . 1 1 92 92 SER N N 83 116.537 116.537 117.822 -1.285 18221
5211 1 10 . 1 1 92 92 SER HA H 83 4.040 4.040 3.782 0.258 18221
5212 1 10 . 1 1 92 92 SER C C 83 176.761 176.761 176.373 0.388 18221
5213 1 10 . 1 1 92 92 SER CA C 83 61.564 61.564 62.177 -0.613 18221
5214 1 10 . 1 1 92 92 SER CB C 83 62.009 62.009 62.615 -0.606 18221
5215 1 10 . 1 1 92 92 SER H H 83 8.212 8.212 8.023 0.189 18221
5216 1 10 . 1 1 93 93 LYS N N 84 122.353 122.353 121.365 0.988 18221
5217 1 10 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.883 0.236 18221
5218 1 10 . 1 1 93 93 LYS C C 84 172.812 172.812 179.038 -6.226 18221
5219 1 10 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.513 -1.078 18221
5220 1 10 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.504 -1.027 18221
5221 1 10 . 1 1 93 93 LYS H H 84 7.642 7.642 7.950 -0.308 18221
5222 1 10 . 1 1 94 94 VAL N N 85 119.348 119.348 118.148 1.200 18221
5223 1 10 . 1 1 94 94 VAL C C 85 177.948 177.948 177.605 0.343 18221
5224 1 10 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.989 -0.600 18221
5225 1 10 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.680 0.166 18221
5226 1 10 . 1 1 94 94 VAL H H 85 8.414 8.414 7.981 0.433 18221
5227 1 10 . 1 1 95 95 ILE N N 86 118.769 118.769 116.761 2.008 18221
5228 1 10 . 1 1 95 95 ILE C C 86 177.972 177.972 175.644 2.328 18221
5229 1 10 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.648 0.189 18221
5230 1 10 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.884 -2.252 18221
5231 1 10 . 1 1 95 95 ILE H H 86 8.169 8.169 7.554 0.615 18221
5232 1 10 . 1 1 96 96 GLY N N 87 107.955 107.955 104.087 3.868 18221
5233 1 10 . 1 1 96 96 GLY C C 87 176.571 176.571 172.907 3.664 18221
5234 1 10 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.441 2.070 18221
5235 1 10 . 1 1 96 96 GLY H H 87 8.182 8.182 7.952 0.230 18221
5236 1 10 . 1 1 97 97 GLY N N 88 109.117 109.117 108.992 0.125 18221
5237 1 10 . 1 1 97 97 GLY C C 88 175.524 175.524 175.221 0.303 18221
5238 1 10 . 1 1 97 97 GLY CA C 88 45.832 45.832 45.121 0.711 18221
5239 1 10 . 1 1 97 97 GLY H H 88 7.953 7.953 8.424 -0.471 18221
5240 1 10 . 1 1 98 98 PHE N N 89 121.100 121.100 121.085 0.015 18221
5241 1 10 . 1 1 98 98 PHE C C 89 176.367 176.367 175.867 0.500 18221
5242 1 10 . 1 1 98 98 PHE CA C 89 56.900 56.900 59.530 -2.630 18221
5243 1 10 . 1 1 98 98 PHE CB C 89 38.832 38.832 38.119 0.713 18221
5244 1 10 . 1 1 98 98 PHE H H 89 8.000 8.000 8.234 -0.234 18221
5245 1 10 . 1 1 99 99 ALA N N 90 122.834 122.834 127.175 -4.341 18221
5246 1 10 . 1 1 99 99 ALA C C 90 178.348 178.348 176.910 1.438 18221
5247 1 10 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.159 3.118 18221
5248 1 10 . 1 1 99 99 ALA CB C 90 17.414 17.414 19.865 -2.451 18221
5249 1 10 . 1 1 99 99 ALA H H 90 8.322 8.322 8.451 -0.129 18221
5250 1 10 . 1 1 100 100 GLY N N 91 106.688 106.688 110.612 -3.924 18221
5251 1 10 . 1 1 100 100 GLY C C 91 175.878 175.878 174.871 1.007 18221
5252 1 10 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.461 0.165 18221
5253 1 10 . 1 1 100 100 GLY H H 91 8.000 8.000 8.625 -0.625 18221
5254 1 10 . 1 1 101 101 THR N N 92 115.689 115.689 114.665 1.024 18221
5255 1 10 . 1 1 101 101 THR C C 92 178.476 178.476 173.611 4.865 18221
5256 1 10 . 1 1 101 101 THR CA C 92 63.364 63.364 61.826 1.538 18221
5257 1 10 . 1 1 101 101 THR CB C 92 69.619 69.619 68.428 1.191 18221
5258 1 10 . 1 1 101 101 THR H H 92 7.754 7.754 8.002 -0.248 18221
5259 1 10 . 1 1 102 102 ALA N N 93 124.835 124.835 128.555 -3.720 18221
5260 1 10 . 1 1 102 102 ALA CA C 93 54.311 54.311 51.421 2.890 18221
5261 1 10 . 1 1 102 102 ALA CB C 93 17.679 17.679 18.939 -1.260 18221
5262 1 10 . 1 1 102 102 ALA H H 93 7.919 7.919 8.303 -0.384 18221
5263 1 10 . 1 1 103 103 LEU N N 94 117.445 117.445 123.445 -6.000 18221
5264 1 10 . 1 1 103 103 LEU CA C 94 56.782 56.782 56.005 0.777 18221
5265 1 10 . 1 1 103 103 LEU CB C 94 40.902 40.902 42.323 -1.421 18221
5266 1 10 . 1 1 103 103 LEU H H 94 8.037 8.037 8.482 -0.445 18221
5267 1 10 . 1 1 104 104 GLY N N 95 106.296 106.296 109.425 -3.129 18221
5268 1 10 . 1 1 104 104 GLY C C 95 175.851 175.851 173.479 2.372 18221
5269 1 10 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.603 1.967 18221
5270 1 10 . 1 1 104 104 GLY H H 95 7.900 7.900 8.096 -0.196 18221
5271 1 10 . 1 1 105 105 ALA N N 96 123.872 123.872 125.380 -1.508 18221
5272 1 10 . 1 1 105 105 ALA CA C 96 54.126 54.126 51.371 2.755 18221
5273 1 10 . 1 1 105 105 ALA CB C 96 17.587 17.587 17.746 -0.159 18221
5274 1 10 . 1 1 105 105 ALA H H 96 7.804 7.804 8.263 -0.459 18221
5275 1 10 . 1 1 106 106 TRP N N 97 120.348 120.348 120.240 0.108 18221
5276 1 10 . 1 1 106 106 TRP C C 97 176.857 176.857 174.976 1.881 18221
5277 1 10 . 1 1 106 106 TRP CA C 97 56.900 56.900 58.140 -1.240 18221
5278 1 10 . 1 1 106 106 TRP H H 97 8.385 8.385 7.661 0.724 18221
5279 1 10 . 1 1 107 107 LEU N N 98 117.756 117.756 124.864 -7.108 18221
5280 1 10 . 1 1 107 107 LEU C C 98 177.659 177.659 174.548 3.111 18221
5281 1 10 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.408 -0.305 18221
5282 1 10 . 1 1 107 107 LEU CB C 98 41.418 41.418 43.038 -1.620 18221
5283 1 10 . 1 1 107 107 LEU H H 98 7.880 7.880 8.739 -0.859 18221
5284 1 10 . 1 1 108 108 GLY N N 99 107.285 107.285 109.033 -1.748 18221
5285 1 10 . 1 1 108 108 GLY C C 99 173.815 173.815 173.597 0.218 18221
5286 1 10 . 1 1 108 108 GLY CA C 99 44.947 44.947 45.384 -0.437 18221
5287 1 10 . 1 1 108 108 GLY H H 99 7.694 7.694 7.958 -0.264 18221
5288 1 10 . 1 1 109 109 SER N N 100 117.139 117.139 121.123 -3.984 18221
5289 1 10 . 1 1 109 109 SER C C 100 172.179 172.179 173.760 -1.581 18221
5290 1 10 . 1 1 109 109 SER CA C 100 56.015 56.015 56.885 -0.870 18221
5291 1 10 . 1 1 109 109 SER CB C 100 62.771 62.771 62.950 -0.179 18221
5292 1 10 . 1 1 109 109 SER H H 100 8.030 8.030 8.193 -0.163 18221
5293 1 10 . 1 1 111 111 PRO C C 102 177.073 177.073 176.663 0.410 18221
5294 1 10 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.452 -1.253 18221
5295 1 10 . 1 1 111 111 PRO CB C 102 31.211 31.211 31.932 -0.721 18221
5296 1 10 . 1 1 112 112 SER N N 103 117.115 117.115 115.061 2.054 18221
5297 1 10 . 1 1 112 112 SER C C 103 173.898 173.898 174.160 -0.262 18221
5298 1 10 . 1 1 112 112 SER CA C 103 57.904 57.904 58.563 -0.659 18221
5299 1 10 . 1 1 112 112 SER CB C 103 63.360 63.360 62.771 0.589 18221
5300 1 10 . 1 1 112 112 SER H H 103 8.345 8.345 8.444 -0.099 18221
5301 1 11 . 1 1 11 11 GLY N N 2 109.366 109.366 110.792 -1.426 18221
5302 1 11 . 1 1 11 11 GLY C C 2 174.543 174.543 174.069 0.474 18221
5303 1 11 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.066 0.629 18221
5304 1 11 . 1 1 11 11 GLY H H 2 8.271 8.271 8.312 -0.041 18221
5305 1 11 . 1 1 12 12 LYS N N 3 121.129 121.129 122.115 -0.986 18221
5306 1 11 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.145 -0.013 18221
5307 1 11 . 1 1 12 12 LYS C C 3 177.234 177.234 177.577 -0.343 18221
5308 1 11 . 1 1 12 12 LYS CA C 3 56.812 56.812 57.683 -0.871 18221
5309 1 11 . 1 1 12 12 LYS CB C 3 31.846 31.846 32.716 -0.870 18221
5310 1 11 . 1 1 12 12 LYS H H 3 8.057 8.057 8.128 -0.071 18221
5311 1 11 . 1 1 13 13 GLU N N 4 120.318 120.318 118.301 2.017 18221
5312 1 11 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.246 -0.091 18221
5313 1 11 . 1 1 13 13 GLU C C 4 176.857 176.857 177.321 -0.464 18221
5314 1 11 . 1 1 13 13 GLU CA C 4 56.871 56.871 57.748 -0.877 18221
5315 1 11 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.275 -1.887 18221
5316 1 11 . 1 1 13 13 GLU H H 4 8.398 8.398 8.661 -0.263 18221
5317 1 11 . 1 1 14 14 SER N N 5 115.504 115.504 113.372 2.132 18221
5318 1 11 . 1 1 14 14 SER HA H 5 3.843 3.843 4.552 -0.709 18221
5319 1 11 . 1 1 14 14 SER C C 5 175.337 175.337 174.366 0.971 18221
5320 1 11 . 1 1 14 14 SER CA C 5 58.524 58.524 58.581 -0.057 18221
5321 1 11 . 1 1 14 14 SER CB C 5 63.360 63.360 64.694 -1.333 18221
5322 1 11 . 1 1 14 14 SER H H 5 8.089 8.089 8.437 -0.348 18221
5323 1 11 . 1 1 15 15 GLY N N 6 110.761 110.761 108.697 2.064 18221
5324 1 11 . 1 1 15 15 GLY C C 6 174.581 174.581 173.262 1.319 18221
5325 1 11 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.359 0.207 18221
5326 1 11 . 1 1 15 15 GLY H H 6 8.197 8.197 7.956 0.241 18221
5327 1 11 . 1 1 16 16 TRP N N 7 121.800 121.800 121.349 0.451 18221
5328 1 11 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.253 0.307 18221
5329 1 11 . 1 1 16 16 TRP C C 7 176.920 176.920 175.660 1.260 18221
5330 1 11 . 1 1 16 16 TRP CA C 7 58.081 58.081 57.822 0.259 18221
5331 1 11 . 1 1 16 16 TRP CB C 7 28.679 28.679 29.151 -0.472 18221
5332 1 11 . 1 1 16 16 TRP H H 7 8.184 8.184 8.281 -0.097 18221
5333 1 11 . 1 1 17 17 ASP N N 8 121.132 121.132 122.174 -1.042 18221
5334 1 11 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.420 -0.025 18221
5335 1 11 . 1 1 17 17 ASP C C 8 176.941 176.941 174.444 2.497 18221
5336 1 11 . 1 1 17 17 ASP CA C 8 56.244 56.244 55.107 1.137 18221
5337 1 11 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.159 -1.214 18221
5338 1 11 . 1 1 17 17 ASP H H 8 8.332 8.332 8.328 0.004 18221
5339 1 11 . 1 1 18 18 SER N N 9 116.148 116.148 115.364 0.784 18221
5340 1 11 . 1 1 18 18 SER HA H 9 3.861 3.861 4.650 -0.789 18221
5341 1 11 . 1 1 18 18 SER CA C 9 60.081 60.081 57.351 2.730 18221
5342 1 11 . 1 1 18 18 SER CB C 9 62.255 62.255 65.075 -2.820 18221
5343 1 11 . 1 1 18 18 SER H H 9 8.129 8.129 8.474 -0.345 18221
5344 1 11 . 1 1 19 19 GLY N N 10 110.747 110.747 109.161 1.586 18221
5345 1 11 . 1 1 19 19 GLY C C 10 174.682 174.682 175.855 -1.173 18221
5346 1 11 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.005 1.595 18221
5347 1 11 . 1 1 19 19 GLY H H 10 8.216 8.216 8.421 -0.205 18221
5348 1 11 . 1 1 20 20 ARG N N 11 121.405 121.405 120.319 1.086 18221
5349 1 11 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.004 -0.147 18221
5350 1 11 . 1 1 20 20 ARG C C 11 178.328 178.328 178.817 -0.489 18221
5351 1 11 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.659 0.426 18221
5352 1 11 . 1 1 20 20 ARG CB C 11 29.047 29.047 29.700 -0.653 18221
5353 1 11 . 1 1 20 20 ARG H H 11 8.158 8.158 8.559 -0.401 18221
5354 1 11 . 1 1 21 21 ALA N N 12 122.167 122.167 119.960 2.207 18221
5355 1 11 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.050 0.050 18221
5356 1 11 . 1 1 21 21 ALA C C 12 180.129 180.129 179.249 0.880 18221
5357 1 11 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.745 -0.353 18221
5358 1 11 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.984 -0.570 18221
5359 1 11 . 1 1 21 21 ALA H H 12 7.963 7.963 8.514 -0.551 18221
5360 1 11 . 1 1 22 22 ALA N N 13 122.150 122.150 121.728 0.422 18221
5361 1 11 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.924 0.113 18221
5362 1 11 . 1 1 22 22 ALA C C 13 179.095 179.095 179.766 -0.671 18221
5363 1 11 . 1 1 22 22 ALA CA C 13 54.716 54.716 55.074 -0.358 18221
5364 1 11 . 1 1 22 22 ALA CB C 13 17.561 17.561 17.894 -0.333 18221
5365 1 11 . 1 1 22 22 ALA H H 13 7.881 7.881 7.497 0.384 18221
5366 1 11 . 1 1 23 23 VAL N N 14 117.107 117.107 118.650 -1.543 18221
5367 1 11 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.601 -0.121 18221
5368 1 11 . 1 1 23 23 VAL C C 14 177.586 177.586 178.278 -0.692 18221
5369 1 11 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.512 0.686 18221
5370 1 11 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.620 -0.100 18221
5371 1 11 . 1 1 23 23 VAL H H 14 7.888 7.888 8.168 -0.280 18221
5372 1 11 . 1 1 24 24 ALA N N 15 121.333 121.333 121.965 -0.632 18221
5373 1 11 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.989 -0.008 18221
5374 1 11 . 1 1 24 24 ALA C C 15 180.373 180.373 179.481 0.892 18221
5375 1 11 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.153 -0.142 18221
5376 1 11 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.916 -0.664 18221
5377 1 11 . 1 1 24 24 ALA H H 15 8.037 8.037 7.601 0.436 18221
5378 1 11 . 1 1 25 25 ALA N N 16 121.158 121.158 119.405 1.753 18221
5379 1 11 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.119 0.027 18221
5380 1 11 . 1 1 25 25 ALA C C 16 179.828 179.828 179.142 0.686 18221
5381 1 11 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.529 -0.078 18221
5382 1 11 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.382 -0.895 18221
5383 1 11 . 1 1 25 25 ALA H H 16 7.819 7.819 7.859 -0.040 18221
5384 1 11 . 1 1 26 26 VAL N N 17 118.417 118.417 115.471 2.946 18221
5385 1 11 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.887 -0.109 18221
5386 1 11 . 1 1 26 26 VAL C C 17 178.020 178.020 176.795 1.225 18221
5387 1 11 . 1 1 26 26 VAL CA C 17 65.578 65.578 64.007 1.571 18221
5388 1 11 . 1 1 26 26 VAL CB C 17 31.085 31.085 32.044 -0.959 18221
5389 1 11 . 1 1 26 26 VAL H H 17 7.848 7.848 7.242 0.606 18221
5390 1 11 . 1 1 27 27 VAL N N 18 119.240 119.240 119.138 0.102 18221
5391 1 11 . 1 1 27 27 VAL C C 18 177.719 177.719 176.147 1.572 18221
5392 1 11 . 1 1 27 27 VAL CA C 18 65.991 65.991 63.473 2.518 18221
5393 1 11 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.543 -2.356 18221
5394 1 11 . 1 1 27 27 VAL H H 18 8.377 8.377 7.378 0.999 18221
5395 1 11 . 1 1 28 28 GLY N N 19 106.009 106.009 106.999 -0.990 18221
5396 1 11 . 1 1 28 28 GLY C C 19 176.212 176.212 174.214 1.998 18221
5397 1 11 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.207 0.037 18221
5398 1 11 . 1 1 28 28 GLY H H 19 8.122 8.122 7.487 0.635 18221
5399 1 11 . 1 1 29 29 GLY N N 20 110.216 110.216 113.644 -3.428 18221
5400 1 11 . 1 1 29 29 GLY C C 20 174.097 174.097 175.438 -1.341 18221
5401 1 11 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.680 1.654 18221
5402 1 11 . 1 1 29 29 GLY H H 20 8.039 8.039 7.875 0.165 18221
5403 1 11 . 1 1 30 30 VAL N N 21 121.188 121.188 118.740 2.448 18221
5404 1 11 . 1 1 30 30 VAL C C 21 177.073 177.073 177.023 0.050 18221
5405 1 11 . 1 1 30 30 VAL CA C 21 62.574 62.574 65.526 -2.952 18221
5406 1 11 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.396 -0.606 18221
5407 1 11 . 1 1 30 30 VAL H H 21 7.983 7.983 7.706 0.277 18221
5408 1 11 . 1 1 32 32 ALA N N 23 125.091 125.091 121.387 3.704 18221
5409 1 11 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.145 0.115 18221
5410 1 11 . 1 1 32 32 ALA C C 23 179.523 179.523 180.232 -0.709 18221
5411 1 11 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.179 -1.496 18221
5412 1 11 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.153 -1.770 18221
5413 1 11 . 1 1 32 32 ALA H H 23 8.036 8.036 8.371 -0.335 18221
5414 1 11 . 1 1 33 33 VAL N N 24 118.793 118.793 117.670 1.123 18221
5415 1 11 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.755 -0.047 18221
5416 1 11 . 1 1 33 33 VAL C C 24 177.901 177.901 178.434 -0.533 18221
5417 1 11 . 1 1 33 33 VAL CA C 24 65.430 65.430 64.992 0.438 18221
5418 1 11 . 1 1 33 33 VAL CB C 24 31.318 31.318 30.656 0.662 18221
5419 1 11 . 1 1 33 33 VAL H H 24 8.195 8.195 8.162 0.033 18221
5420 1 11 . 1 1 34 34 GLY N N 25 108.367 108.367 108.704 -0.337 18221
5421 1 11 . 1 1 34 34 GLY C C 25 175.424 175.424 175.829 -0.405 18221
5422 1 11 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.567 -0.233 18221
5423 1 11 . 1 1 34 34 GLY H H 25 8.651 8.651 8.419 0.232 18221
5424 1 11 . 1 1 35 35 THR N N 26 116.448 116.448 119.990 -3.542 18221
5425 1 11 . 1 1 35 35 THR C C 26 176.843 176.843 176.932 -0.089 18221
5426 1 11 . 1 1 35 35 THR CA C 26 65.962 65.962 67.068 -1.106 18221
5427 1 11 . 1 1 35 35 THR CB C 26 68.414 68.414 68.851 -0.437 18221
5428 1 11 . 1 1 35 35 THR H H 26 7.975 7.975 8.233 -0.258 18221
5429 1 11 . 1 1 36 36 VAL N N 27 122.810 122.810 121.633 1.177 18221
5430 1 11 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.553 0.166 18221
5431 1 11 . 1 1 36 36 VAL C C 27 177.618 177.618 177.431 0.187 18221
5432 1 11 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.938 -1.212 18221
5433 1 11 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.725 -1.058 18221
5434 1 11 . 1 1 36 36 VAL H H 27 7.559 7.559 7.992 -0.433 18221
5435 1 11 . 1 1 37 37 LEU N N 28 119.566 119.566 120.145 -0.579 18221
5436 1 11 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.805 0.148 18221
5437 1 11 . 1 1 37 37 LEU C C 28 179.666 179.666 179.037 0.629 18221
5438 1 11 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.466 -0.621 18221
5439 1 11 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.837 -1.671 18221
5440 1 11 . 1 1 37 37 LEU H H 28 8.086 8.086 7.818 0.268 18221
5441 1 11 . 1 1 38 38 VAL N N 29 119.468 119.468 118.085 1.383 18221
5442 1 11 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.502 0.151 18221
5443 1 11 . 1 1 38 38 VAL C C 29 178.639 178.639 178.245 0.394 18221
5444 1 11 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.154 -0.681 18221
5445 1 11 . 1 1 38 38 VAL CB C 29 30.609 30.609 30.774 -0.165 18221
5446 1 11 . 1 1 38 38 VAL H H 29 8.066 8.066 8.122 -0.056 18221
5447 1 11 . 1 1 39 39 ALA N N 30 124.255 124.255 121.261 2.994 18221
5448 1 11 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.039 0.126 18221
5449 1 11 . 1 1 39 39 ALA C C 30 180.303 180.303 179.530 0.773 18221
5450 1 11 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.184 -0.350 18221
5451 1 11 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.332 -0.624 18221
5452 1 11 . 1 1 39 39 ALA H H 30 7.688 7.688 7.965 -0.277 18221
5453 1 11 . 1 1 40 40 LEU N N 31 118.268 118.268 119.022 -0.754 18221
5454 1 11 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.086 0.055 18221
5455 1 11 . 1 1 40 40 LEU C C 31 179.271 179.271 178.677 0.594 18221
5456 1 11 . 1 1 40 40 LEU CA C 31 57.078 57.078 56.923 0.155 18221
5457 1 11 . 1 1 40 40 LEU CB C 31 40.902 40.902 40.841 0.061 18221
5458 1 11 . 1 1 40 40 LEU H H 31 8.326 8.326 7.894 0.432 18221
5459 1 11 . 1 1 41 41 SER N N 32 114.984 114.984 113.634 1.350 18221
5460 1 11 . 1 1 41 41 SER HA H 32 3.952 3.952 4.130 -0.178 18221
5461 1 11 . 1 1 41 41 SER C C 32 176.284 176.284 175.037 1.247 18221
5462 1 11 . 1 1 41 41 SER CA C 32 60.885 60.885 60.740 0.144 18221
5463 1 11 . 1 1 41 41 SER CB C 32 62.410 62.410 63.552 -1.142 18221
5464 1 11 . 1 1 41 41 SER H H 32 8.062 8.062 8.176 -0.114 18221
5465 1 11 . 1 1 42 42 ALA N N 33 124.588 124.588 119.395 5.193 18221
5466 1 11 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.370 -0.145 18221
5467 1 11 . 1 1 42 42 ALA C C 33 179.033 179.033 175.865 3.168 18221
5468 1 11 . 1 1 42 42 ALA CA C 33 53.713 53.713 51.506 2.207 18221
5469 1 11 . 1 1 42 42 ALA CB C 33 17.929 17.929 20.461 -2.532 18221
5470 1 11 . 1 1 42 42 ALA H H 33 7.813 7.813 7.810 0.003 18221
5471 1 11 . 1 1 43 43 MET N N 34 116.808 116.808 116.311 0.497 18221
5472 1 11 . 1 1 43 43 MET HA H 34 4.285 4.285 4.416 -0.131 18221
5473 1 11 . 1 1 43 43 MET C C 34 176.807 176.807 176.362 0.445 18221
5474 1 11 . 1 1 43 43 MET CA C 34 56.576 56.576 56.301 0.275 18221
5475 1 11 . 1 1 43 43 MET CB C 34 32.435 32.435 33.669 -1.234 18221
5476 1 11 . 1 1 43 43 MET H H 34 7.691 7.691 8.313 -0.622 18221
5477 1 11 . 1 1 44 44 GLY N N 35 107.020 107.020 108.225 -1.205 18221
5478 1 11 . 1 1 44 44 GLY C C 35 174.493 174.493 174.632 -0.139 18221
5479 1 11 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.508 -0.443 18221
5480 1 11 . 1 1 44 44 GLY H H 35 7.793 7.793 8.189 -0.396 18221
5481 1 11 . 1 1 45 45 PHE N N 36 120.285 120.285 116.637 3.648 18221
5482 1 11 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.738 -0.231 18221
5483 1 11 . 1 1 45 45 PHE C C 36 176.876 176.876 173.987 2.889 18221
5484 1 11 . 1 1 45 45 PHE CA C 36 58.937 58.937 57.754 1.183 18221
5485 1 11 . 1 1 45 45 PHE CB C 36 38.178 38.178 38.397 -0.218 18221
5486 1 11 . 1 1 45 45 PHE H H 36 8.215 8.215 7.295 0.920 18221
5487 1 11 . 1 1 46 46 THR N N 37 114.008 114.008 117.062 -3.054 18221
5488 1 11 . 1 1 46 46 THR HA H 37 4.080 4.080 4.507 -0.427 18221
5489 1 11 . 1 1 46 46 THR C C 37 175.751 175.751 174.278 1.473 18221
5490 1 11 . 1 1 46 46 THR CA C 37 64.220 64.220 61.204 3.016 18221
5491 1 11 . 1 1 46 46 THR CB C 37 68.514 68.514 68.957 -0.443 18221
5492 1 11 . 1 1 46 46 THR H H 37 8.111 8.111 7.526 0.585 18221
5493 1 11 . 1 1 47 47 SER N N 38 116.646 116.646 122.322 -5.676 18221
5494 1 11 . 1 1 47 47 SER HA H 38 3.918 3.918 4.395 -0.477 18221
5495 1 11 . 1 1 47 47 SER C C 38 176.744 176.744 174.799 1.945 18221
5496 1 11 . 1 1 47 47 SER CA C 38 59.911 59.911 59.107 0.804 18221
5497 1 11 . 1 1 47 47 SER CB C 38 62.624 62.624 63.688 -1.064 18221
5498 1 11 . 1 1 47 47 SER H H 38 8.079 8.079 8.445 -0.366 18221
5499 1 11 . 1 1 48 48 VAL N N 39 121.929 121.929 119.497 2.432 18221
5500 1 11 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.879 0.030 18221
5501 1 11 . 1 1 48 48 VAL C C 39 177.033 177.033 177.477 -0.444 18221
5502 1 11 . 1 1 48 48 VAL CA C 39 64.988 64.988 64.986 0.002 18221
5503 1 11 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.057 -0.390 18221
5504 1 11 . 1 1 48 48 VAL H H 39 7.985 7.985 8.052 -0.067 18221
5505 1 11 . 1 1 49 49 GLY N N 40 108.633 108.633 108.940 -0.307 18221
5506 1 11 . 1 1 49 49 GLY C C 40 176.038 176.038 176.131 -0.093 18221
5507 1 11 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.409 -0.544 18221
5508 1 11 . 1 1 49 49 GLY H H 40 8.267 8.267 8.358 -0.091 18221
5509 1 11 . 1 1 50 50 ILE N N 41 122.466 122.466 122.309 0.157 18221
5510 1 11 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.694 0.177 18221
5511 1 11 . 1 1 50 50 ILE C C 41 178.363 178.363 177.316 1.047 18221
5512 1 11 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.058 -0.544 18221
5513 1 11 . 1 1 50 50 ILE CB C 41 37.238 37.238 38.014 -0.776 18221
5514 1 11 . 1 1 50 50 ILE H H 41 7.865 7.865 7.810 0.055 18221
5515 1 11 . 1 1 51 51 ALA N N 42 125.064 125.064 120.894 4.170 18221
5516 1 11 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.874 0.225 18221
5517 1 11 . 1 1 51 51 ALA C C 42 179.385 179.385 179.377 0.008 18221
5518 1 11 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.250 -0.770 18221
5519 1 11 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.845 -0.358 18221
5520 1 11 . 1 1 51 51 ALA H H 42 7.930 7.930 7.764 0.166 18221
5521 1 11 . 1 1 52 52 ALA N N 43 120.594 120.594 120.234 0.360 18221
5522 1 11 . 1 1 52 52 ALA HA H 43 3.937 3.937 3.981 -0.044 18221
5523 1 11 . 1 1 52 52 ALA C C 43 179.088 179.088 180.039 -0.951 18221
5524 1 11 . 1 1 52 52 ALA CA C 43 55.100 55.100 55.013 0.087 18221
5525 1 11 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.090 -0.455 18221
5526 1 11 . 1 1 52 52 ALA H H 43 8.639 8.639 8.177 0.462 18221
5527 1 11 . 1 1 53 53 SER N N 44 113.012 113.012 115.204 -2.192 18221
5528 1 11 . 1 1 53 53 SER HA H 44 3.966 3.966 4.203 -0.237 18221
5529 1 11 . 1 1 53 53 SER C C 44 176.898 176.898 176.860 0.038 18221
5530 1 11 . 1 1 53 53 SER CA C 44 61.139 61.139 62.009 -0.870 18221
5531 1 11 . 1 1 53 53 SER CB C 44 62.347 62.347 62.646 -0.299 18221
5532 1 11 . 1 1 53 53 SER H H 44 8.193 8.193 8.274 -0.081 18221
5533 1 11 . 1 1 54 54 SER N N 45 118.714 118.714 118.413 0.301 18221
5534 1 11 . 1 1 54 54 SER HA H 45 3.975 3.975 4.145 -0.170 18221
5535 1 11 . 1 1 54 54 SER C C 45 177.131 177.131 176.434 0.697 18221
5536 1 11 . 1 1 54 54 SER CA C 45 61.210 61.210 61.614 -0.404 18221
5537 1 11 . 1 1 54 54 SER CB C 45 62.255 62.255 62.696 -0.441 18221
5538 1 11 . 1 1 54 54 SER H H 45 7.944 7.944 7.954 -0.010 18221
5539 1 11 . 1 1 55 55 ILE N N 46 122.912 122.912 121.556 1.356 18221
5540 1 11 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.646 0.111 18221
5541 1 11 . 1 1 55 55 ILE C C 46 177.813 177.813 177.702 0.111 18221
5542 1 11 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.859 -0.668 18221
5543 1 11 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.798 -0.872 18221
5544 1 11 . 1 1 55 55 ILE H H 46 8.028 8.028 8.462 -0.434 18221
5545 1 11 . 1 1 56 56 ALA N N 47 122.990 122.990 122.027 0.963 18221
5546 1 11 . 1 1 56 56 ALA HA H 47 3.956 3.956 3.993 -0.037 18221
5547 1 11 . 1 1 56 56 ALA C C 47 180.294 180.294 178.996 1.298 18221
5548 1 11 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.406 -0.067 18221
5549 1 11 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.658 -0.956 18221
5550 1 11 . 1 1 56 56 ALA H H 47 8.333 8.333 7.801 0.532 18221
5551 1 11 . 1 1 57 57 ALA N N 48 121.988 121.988 121.804 0.184 18221
5552 1 11 . 1 1 57 57 ALA HA H 48 4.068 4.068 3.976 0.092 18221
5553 1 11 . 1 1 57 57 ALA CA C 48 54.421 54.421 52.953 1.468 18221
5554 1 11 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.483 -1.781 18221
5555 1 11 . 1 1 57 57 ALA H H 48 7.879 7.879 7.873 0.006 18221
5556 1 11 . 1 1 58 58 LYS N N 49 119.094 119.094 116.722 2.372 18221
5557 1 11 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.985 0.162 18221
5558 1 11 . 1 1 58 58 LYS C C 49 179.649 179.649 175.122 4.527 18221
5559 1 11 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.463 0.694 18221
5560 1 11 . 1 1 58 58 LYS CB C 49 31.330 31.330 31.997 -0.667 18221
5561 1 11 . 1 1 58 58 LYS H H 49 7.727 7.727 8.075 -0.348 18221
5562 1 11 . 1 1 59 59 MET N N 50 120.498 120.498 119.908 0.590 18221
5563 1 11 . 1 1 59 59 MET HA H 50 4.156 4.156 4.114 0.042 18221
5564 1 11 . 1 1 59 59 MET C C 50 177.949 177.949 174.773 3.176 18221
5565 1 11 . 1 1 59 59 MET CA C 50 57.136 57.136 56.249 0.887 18221
5566 1 11 . 1 1 59 59 MET CB C 50 31.922 31.922 32.230 -0.307 18221
5567 1 11 . 1 1 59 59 MET H H 50 8.395 8.395 8.445 -0.050 18221
5568 1 11 . 1 1 60 60 MET N N 51 117.689 117.689 124.153 -6.464 18221
5569 1 11 . 1 1 60 60 MET HA H 51 4.222 4.222 4.621 -0.399 18221
5570 1 11 . 1 1 60 60 MET C C 51 177.674 177.674 175.213 2.461 18221
5571 1 11 . 1 1 60 60 MET CA C 51 57.638 57.638 54.935 2.703 18221
5572 1 11 . 1 1 60 60 MET CB C 51 31.785 31.785 33.079 -1.294 18221
5573 1 11 . 1 1 60 60 MET H H 51 8.234 8.234 8.108 0.126 18221
5574 1 11 . 1 1 61 61 SER N N 52 114.385 114.385 119.158 -4.773 18221
5575 1 11 . 1 1 61 61 SER HA H 52 4.001 4.001 4.296 -0.295 18221
5576 1 11 . 1 1 61 61 SER C C 52 176.079 176.079 173.444 2.635 18221
5577 1 11 . 1 1 61 61 SER CA C 52 59.911 59.911 59.273 0.638 18221
5578 1 11 . 1 1 61 61 SER CB C 52 62.624 62.624 63.023 -0.399 18221
5579 1 11 . 1 1 61 61 SER H H 52 7.893 7.893 8.408 -0.515 18221
5580 1 11 . 1 1 62 62 THR N N 53 117.304 117.304 115.229 2.075 18221
5581 1 11 . 1 1 62 62 THR HA H 53 4.104 4.104 4.978 -0.874 18221
5582 1 11 . 1 1 62 62 THR C C 53 175.436 175.436 172.671 2.765 18221
5583 1 11 . 1 1 62 62 THR CA C 53 64.220 64.220 61.663 2.557 18221
5584 1 11 . 1 1 62 62 THR CB C 53 68.514 68.514 70.178 -1.664 18221
5585 1 11 . 1 1 62 62 THR H H 53 7.794 7.794 8.251 -0.457 18221
5586 1 11 . 1 1 63 63 ALA N N 54 125.382 125.382 126.706 -1.324 18221
5587 1 11 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.470 -0.376 18221
5588 1 11 . 1 1 63 63 ALA C C 54 178.328 178.328 175.548 2.780 18221
5589 1 11 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.293 1.803 18221
5590 1 11 . 1 1 63 63 ALA CB C 54 17.708 17.708 20.161 -2.453 18221
5591 1 11 . 1 1 63 63 ALA H H 54 8.204 8.204 8.494 -0.290 18221
5592 1 11 . 1 1 64 64 ALA N N 55 119.929 119.929 123.029 -3.100 18221
5593 1 11 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.200 -0.075 18221
5594 1 11 . 1 1 64 64 ALA C C 55 179.183 179.183 178.681 0.502 18221
5595 1 11 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.250 1.787 18221
5596 1 11 . 1 1 64 64 ALA CB C 55 17.708 17.708 19.338 -1.630 18221
5597 1 11 . 1 1 64 64 ALA H H 55 7.951 7.951 8.183 -0.232 18221
5598 1 11 . 1 1 65 65 ILE N N 56 117.016 117.016 118.718 -1.702 18221
5599 1 11 . 1 1 65 65 ILE HA H 56 3.950 3.950 3.644 0.306 18221
5600 1 11 . 1 1 65 65 ILE C C 56 177.222 177.222 175.897 1.325 18221
5601 1 11 . 1 1 65 65 ILE CA C 56 62.184 62.184 63.547 -1.363 18221
5602 1 11 . 1 1 65 65 ILE CB C 56 37.073 37.073 38.264 -1.191 18221
5603 1 11 . 1 1 65 65 ILE H H 56 7.561 7.561 8.880 -1.319 18221
5604 1 11 . 1 1 66 66 ALA N N 57 124.191 124.191 118.345 5.846 18221
5605 1 11 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.180 -0.003 18221
5606 1 11 . 1 1 66 66 ALA C C 57 178.190 178.190 176.162 2.028 18221
5607 1 11 . 1 1 66 66 ALA CA C 57 53.536 53.536 51.837 1.700 18221
5608 1 11 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.335 -1.407 18221
5609 1 11 . 1 1 66 66 ALA H H 57 7.982 7.982 7.863 0.119 18221
5610 1 11 . 1 1 67 67 ASN N N 58 116.132 116.132 121.626 -5.494 18221
5611 1 11 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.835 -0.162 18221
5612 1 11 . 1 1 67 67 ASN C C 58 176.344 176.344 176.175 0.169 18221
5613 1 11 . 1 1 67 67 ASN CA C 58 53.477 53.477 51.978 1.499 18221
5614 1 11 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.264 0.208 18221
5615 1 11 . 1 1 67 67 ASN H H 58 8.113 8.113 8.386 -0.273 18221
5616 1 11 . 1 1 68 68 GLY N N 59 108.808 108.808 112.851 -4.043 18221
5617 1 11 . 1 1 68 68 GLY C C 59 174.958 174.958 175.892 -0.934 18221
5618 1 11 . 1 1 68 68 GLY CA C 59 45.655 45.655 44.643 1.012 18221
5619 1 11 . 1 1 68 68 GLY H H 59 8.152 8.152 8.152 0.000 18221
5620 1 11 . 1 1 69 69 GLY N N 60 108.832 108.832 107.471 1.361 18221
5621 1 11 . 1 1 69 69 GLY C C 60 174.631 174.631 175.187 -0.556 18221
5622 1 11 . 1 1 69 69 GLY CA C 60 45.419 45.419 45.153 0.266 18221
5623 1 11 . 1 1 69 69 GLY H H 60 8.218 8.218 8.328 -0.110 18221
5624 1 11 . 1 1 70 70 GLY N N 61 108.966 108.966 109.449 -0.483 18221
5625 1 11 . 1 1 70 70 GLY C C 61 174.594 174.594 174.529 0.065 18221
5626 1 11 . 1 1 70 70 GLY CA C 61 45.360 45.360 45.140 0.220 18221
5627 1 11 . 1 1 70 70 GLY H H 61 8.175 8.175 7.634 0.541 18221
5628 1 11 . 1 1 71 71 VAL N N 62 120.209 120.209 123.527 -3.318 18221
5629 1 11 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.940 0.066 18221
5630 1 11 . 1 1 71 71 VAL C C 62 176.077 176.077 177.252 -1.175 18221
5631 1 11 . 1 1 71 71 VAL CA C 62 62.390 62.390 62.636 -0.246 18221
5632 1 11 . 1 1 71 71 VAL CB C 62 31.698 31.698 33.328 -1.630 18221
5633 1 11 . 1 1 71 71 VAL H H 62 7.882 7.882 7.853 0.029 18221
5634 1 11 . 1 1 72 72 ALA N N 63 126.966 126.966 130.105 -3.139 18221
5635 1 11 . 1 1 72 72 ALA HA H 63 4.026 4.026 3.990 0.036 18221
5636 1 11 . 1 1 72 72 ALA C C 63 178.064 178.064 176.432 1.632 18221
5637 1 11 . 1 1 72 72 ALA CA C 63 52.503 52.503 54.218 -1.715 18221
5638 1 11 . 1 1 72 72 ALA CB C 63 18.225 18.225 17.969 0.256 18221
5639 1 11 . 1 1 72 72 ALA H H 63 8.237 8.237 8.725 -0.488 18221
5640 1 11 . 1 1 73 73 ALA N N 64 123.432 123.432 119.073 4.359 18221
5641 1 11 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.343 -0.328 18221
5642 1 11 . 1 1 73 73 ALA C C 64 178.995 178.995 176.760 2.235 18221
5643 1 11 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.712 1.709 18221
5644 1 11 . 1 1 73 73 ALA CB C 64 18.003 18.003 19.745 -1.742 18221
5645 1 11 . 1 1 73 73 ALA H H 64 8.421 8.421 8.470 -0.049 18221
5646 1 11 . 1 1 74 74 GLY N N 65 105.577 105.577 106.072 -0.495 18221
5647 1 11 . 1 1 74 74 GLY C C 65 176.367 176.367 174.695 1.672 18221
5648 1 11 . 1 1 74 74 GLY CA C 65 46.244 46.244 45.575 0.669 18221
5649 1 11 . 1 1 74 74 GLY H H 65 8.448 8.448 7.807 0.641 18221
5650 1 11 . 1 1 75 75 SER N N 66 117.656 117.656 117.709 -0.053 18221
5651 1 11 . 1 1 75 75 SER HA H 66 4.394 4.394 4.308 0.086 18221
5652 1 11 . 1 1 75 75 SER C C 66 176.329 176.329 176.916 -0.587 18221
5653 1 11 . 1 1 75 75 SER CA C 66 60.236 60.236 60.151 0.085 18221
5654 1 11 . 1 1 75 75 SER CB C 66 62.476 62.476 62.890 -0.414 18221
5655 1 11 . 1 1 75 75 SER H H 66 7.899 7.899 8.258 -0.359 18221
5656 1 11 . 1 1 76 76 LEU N N 67 122.743 122.743 121.264 1.479 18221
5657 1 11 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.975 0.075 18221
5658 1 11 . 1 1 76 76 LEU C C 67 178.442 178.442 178.782 -0.340 18221
5659 1 11 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.648 -0.128 18221
5660 1 11 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.829 -1.148 18221
5661 1 11 . 1 1 76 76 LEU H H 67 7.955 7.955 7.936 0.019 18221
5662 1 11 . 1 1 77 77 VAL N N 68 118.400 118.400 116.457 1.943 18221
5663 1 11 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.522 -0.051 18221
5664 1 11 . 1 1 77 77 VAL C C 68 177.297 177.297 177.003 0.294 18221
5665 1 11 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.322 0.348 18221
5666 1 11 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.024 -0.504 18221
5667 1 11 . 1 1 77 77 VAL H H 68 8.039 8.039 8.218 -0.179 18221
5668 1 11 . 1 1 78 78 ALA N N 69 121.927 121.927 122.127 -0.200 18221
5669 1 11 . 1 1 78 78 ALA HA H 69 4.205 4.205 3.975 0.230 18221
5670 1 11 . 1 1 78 78 ALA C C 69 181.258 181.258 179.495 1.763 18221
5671 1 11 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.180 -0.198 18221
5672 1 11 . 1 1 78 78 ALA CB C 69 17.414 17.414 17.871 -0.457 18221
5673 1 11 . 1 1 78 78 ALA H H 69 7.631 7.631 7.932 -0.301 18221
5674 1 11 . 1 1 79 79 ILE N N 70 119.782 119.782 119.385 0.397 18221
5675 1 11 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.841 -0.045 18221
5676 1 11 . 1 1 79 79 ILE C C 70 178.253 178.253 177.887 0.366 18221
5677 1 11 . 1 1 79 79 ILE CA C 70 64.352 64.352 64.518 -0.166 18221
5678 1 11 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.772 -0.699 18221
5679 1 11 . 1 1 79 79 ILE H H 70 7.841 7.841 7.733 0.108 18221
5680 1 11 . 1 1 80 80 LEU N N 71 120.841 120.841 121.717 -0.876 18221
5681 1 11 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.871 0.066 18221
5682 1 11 . 1 1 80 80 LEU C C 71 179.234 179.234 178.894 0.340 18221
5683 1 11 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.334 -0.489 18221
5684 1 11 . 1 1 80 80 LEU CB C 71 40.019 40.019 40.902 -0.883 18221
5685 1 11 . 1 1 80 80 LEU H H 71 8.190 8.190 8.266 -0.076 18221
5686 1 11 . 1 1 81 81 GLN N N 72 117.558 117.558 117.695 -0.137 18221
5687 1 11 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.977 -0.008 18221
5688 1 11 . 1 1 81 81 GLN C C 72 178.530 178.530 178.745 -0.215 18221
5689 1 11 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.189 -0.370 18221
5690 1 11 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.753 -1.473 18221
5691 1 11 . 1 1 81 81 GLN H H 72 8.489 8.489 8.705 -0.216 18221
5692 1 11 . 1 1 82 82 SER N N 73 116.103 116.103 116.007 0.096 18221
5693 1 11 . 1 1 82 82 SER HA H 73 4.233 4.233 4.166 0.067 18221
5694 1 11 . 1 1 82 82 SER C C 73 177.243 177.243 176.847 0.396 18221
5695 1 11 . 1 1 82 82 SER CA C 73 61.044 61.044 61.952 -0.908 18221
5696 1 11 . 1 1 82 82 SER CB C 73 62.257 62.257 62.960 -0.703 18221
5697 1 11 . 1 1 82 82 SER H H 73 7.855 7.855 8.078 -0.223 18221
5698 1 11 . 1 1 83 83 VAL N N 74 120.362 120.362 120.803 -0.441 18221
5699 1 11 . 1 1 83 83 VAL C C 74 177.979 177.979 177.494 0.485 18221
5700 1 11 . 1 1 83 83 VAL CA C 74 65.106 65.106 65.795 -0.689 18221
5701 1 11 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.502 -0.761 18221
5702 1 11 . 1 1 83 83 VAL H H 74 8.030 8.030 8.228 -0.198 18221
5703 1 11 . 1 1 84 84 GLY N N 75 108.223 108.223 107.196 1.027 18221
5704 1 11 . 1 1 84 84 GLY C C 75 174.913 174.913 175.515 -0.602 18221
5705 1 11 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.119 -0.342 18221
5706 1 11 . 1 1 84 84 GLY H H 75 8.369 8.369 7.815 0.554 18221
5707 1 11 . 1 1 85 85 ALA N N 76 123.550 123.550 124.425 -0.875 18221
5708 1 11 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.140 -0.046 18221
5709 1 11 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.867 -0.269 18221
5710 1 11 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.290 -0.667 18221
5711 1 11 . 1 1 85 85 ALA H H 76 8.115 8.115 8.333 -0.218 18221
5712 1 11 . 1 1 86 86 ALA N N 77 120.410 120.410 120.976 -0.566 18221
5713 1 11 . 1 1 86 86 ALA C C 77 178.988 178.988 179.524 -0.536 18221
5714 1 11 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.348 -0.512 18221
5715 1 11 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.983 -0.473 18221
5716 1 11 . 1 1 86 86 ALA H H 77 8.632 8.632 8.315 0.317 18221
5717 1 11 . 1 1 87 87 GLY N N 78 105.706 105.706 106.961 -1.255 18221
5718 1 11 . 1 1 87 87 GLY C C 78 175.939 175.939 175.876 0.063 18221
5719 1 11 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.800 -0.682 18221
5720 1 11 . 1 1 87 87 GLY H H 78 8.196 8.196 7.831 0.365 18221
5721 1 11 . 1 1 88 88 LEU N N 79 124.128 124.128 121.747 2.381 18221
5722 1 11 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.665 -0.263 18221
5723 1 11 . 1 1 88 88 LEU CB C 79 40.387 40.387 42.014 -1.627 18221
5724 1 11 . 1 1 88 88 LEU H H 79 8.449 8.449 8.048 0.401 18221
5725 1 11 . 1 1 89 89 SER N N 80 116.251 116.251 114.956 1.295 18221
5726 1 11 . 1 1 89 89 SER C C 80 179.153 179.153 176.592 2.561 18221
5727 1 11 . 1 1 89 89 SER CA C 80 61.023 61.023 61.735 -0.712 18221
5728 1 11 . 1 1 89 89 SER CB C 80 62.255 62.255 62.693 -0.438 18221
5729 1 11 . 1 1 89 89 SER H H 80 8.120 8.120 8.296 -0.176 18221
5730 1 11 . 1 1 90 90 VAL N N 81 119.310 119.310 121.724 -2.414 18221
5731 1 11 . 1 1 90 90 VAL C C 81 177.652 177.652 177.790 -0.138 18221
5732 1 11 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.247 -0.171 18221
5733 1 11 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.577 -0.247 18221
5734 1 11 . 1 1 90 90 VAL H H 81 7.955 7.955 8.046 -0.091 18221
5735 1 11 . 1 1 91 91 THR N N 82 115.535 115.535 116.215 -0.680 18221
5736 1 11 . 1 1 91 91 THR C C 82 176.571 176.571 176.541 0.030 18221
5737 1 11 . 1 1 91 91 THR CA C 82 66.434 66.434 67.781 -1.347 18221
5738 1 11 . 1 1 91 91 THR CB C 82 67.742 67.742 68.674 -0.933 18221
5739 1 11 . 1 1 91 91 THR H H 82 7.888 7.888 8.472 -0.584 18221
5740 1 11 . 1 1 92 92 SER N N 83 116.537 116.537 116.802 -0.265 18221
5741 1 11 . 1 1 92 92 SER HA H 83 4.040 4.040 4.160 -0.120 18221
5742 1 11 . 1 1 92 92 SER C C 83 176.761 176.761 176.517 0.244 18221
5743 1 11 . 1 1 92 92 SER CA C 83 61.564 61.564 61.467 0.097 18221
5744 1 11 . 1 1 92 92 SER CB C 83 62.009 62.009 62.897 -0.888 18221
5745 1 11 . 1 1 92 92 SER H H 83 8.212 8.212 8.012 0.200 18221
5746 1 11 . 1 1 93 93 LYS N N 84 122.353 122.353 120.848 1.505 18221
5747 1 11 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.963 0.156 18221
5748 1 11 . 1 1 93 93 LYS C C 84 172.812 172.812 179.238 -6.426 18221
5749 1 11 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.590 -1.155 18221
5750 1 11 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.474 -0.997 18221
5751 1 11 . 1 1 93 93 LYS H H 84 7.642 7.642 8.270 -0.628 18221
5752 1 11 . 1 1 94 94 VAL N N 85 119.348 119.348 118.761 0.587 18221
5753 1 11 . 1 1 94 94 VAL C C 85 177.948 177.948 177.309 0.639 18221
5754 1 11 . 1 1 94 94 VAL CA C 85 65.389 65.389 64.511 0.878 18221
5755 1 11 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.490 0.356 18221
5756 1 11 . 1 1 94 94 VAL H H 85 8.414 8.414 7.591 0.823 18221
5757 1 11 . 1 1 95 95 ILE N N 86 118.769 118.769 117.207 1.562 18221
5758 1 11 . 1 1 95 95 ILE C C 86 177.972 177.972 176.031 1.941 18221
5759 1 11 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.650 0.187 18221
5760 1 11 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.581 -1.949 18221
5761 1 11 . 1 1 95 95 ILE H H 86 8.169 8.169 7.630 0.539 18221
5762 1 11 . 1 1 96 96 GLY N N 87 107.955 107.955 105.466 2.489 18221
5763 1 11 . 1 1 96 96 GLY C C 87 176.571 176.571 174.250 2.321 18221
5764 1 11 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.608 1.903 18221
5765 1 11 . 1 1 96 96 GLY H H 87 8.182 8.182 8.352 -0.170 18221
5766 1 11 . 1 1 97 97 GLY N N 88 109.117 109.117 109.507 -0.390 18221
5767 1 11 . 1 1 97 97 GLY C C 88 175.524 175.524 175.267 0.257 18221
5768 1 11 . 1 1 97 97 GLY CA C 88 45.832 45.832 45.608 0.224 18221
5769 1 11 . 1 1 97 97 GLY H H 88 7.953 7.953 8.061 -0.108 18221
5770 1 11 . 1 1 98 98 PHE N N 89 121.100 121.100 121.753 -0.653 18221
5771 1 11 . 1 1 98 98 PHE C C 89 176.367 176.367 175.443 0.924 18221
5772 1 11 . 1 1 98 98 PHE CA C 89 56.900 56.900 59.165 -2.265 18221
5773 1 11 . 1 1 98 98 PHE CB C 89 38.832 38.832 38.412 0.420 18221
5774 1 11 . 1 1 98 98 PHE H H 89 8.000 8.000 7.870 0.130 18221
5775 1 11 . 1 1 99 99 ALA N N 90 122.834 122.834 131.239 -8.405 18221
5776 1 11 . 1 1 99 99 ALA C C 90 178.348 178.348 177.207 1.141 18221
5777 1 11 . 1 1 99 99 ALA CA C 90 55.277 55.277 51.834 3.442 18221
5778 1 11 . 1 1 99 99 ALA CB C 90 17.414 17.414 19.721 -2.307 18221
5779 1 11 . 1 1 99 99 ALA H H 90 8.322 8.322 8.215 0.107 18221
5780 1 11 . 1 1 100 100 GLY N N 91 106.688 106.688 113.877 -7.189 18221
5781 1 11 . 1 1 100 100 GLY C C 91 175.878 175.878 174.736 1.142 18221
5782 1 11 . 1 1 100 100 GLY CA C 91 45.626 45.626 46.054 -0.428 18221
5783 1 11 . 1 1 100 100 GLY H H 91 8.000 8.000 8.628 -0.628 18221
5784 1 11 . 1 1 101 101 THR N N 92 115.689 115.689 116.904 -1.215 18221
5785 1 11 . 1 1 101 101 THR C C 92 178.476 178.476 173.670 4.806 18221
5786 1 11 . 1 1 101 101 THR CA C 92 63.364 63.364 61.911 1.453 18221
5787 1 11 . 1 1 101 101 THR CB C 92 69.619 69.619 69.208 0.411 18221
5788 1 11 . 1 1 101 101 THR H H 92 7.754 7.754 7.944 -0.190 18221
5789 1 11 . 1 1 102 102 ALA N N 93 124.835 124.835 130.605 -5.770 18221
5790 1 11 . 1 1 102 102 ALA CA C 93 54.311 54.311 51.944 2.367 18221
5791 1 11 . 1 1 102 102 ALA CB C 93 17.679 17.679 19.601 -1.922 18221
5792 1 11 . 1 1 102 102 ALA H H 93 7.919 7.919 8.133 -0.214 18221
5793 1 11 . 1 1 103 103 LEU N N 94 117.445 117.445 119.587 -2.142 18221
5794 1 11 . 1 1 103 103 LEU CA C 94 56.782 56.782 55.474 1.308 18221
5795 1 11 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.490 -0.588 18221
5796 1 11 . 1 1 103 103 LEU H H 94 8.037 8.037 7.814 0.223 18221
5797 1 11 . 1 1 104 104 GLY N N 95 106.296 106.296 109.403 -3.107 18221
5798 1 11 . 1 1 104 104 GLY C C 95 175.851 175.851 173.599 2.252 18221
5799 1 11 . 1 1 104 104 GLY CA C 95 46.570 46.570 43.862 2.708 18221
5800 1 11 . 1 1 104 104 GLY H H 95 7.900 7.900 8.059 -0.159 18221
5801 1 11 . 1 1 105 105 ALA N N 96 123.872 123.872 123.051 0.821 18221
5802 1 11 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.129 1.997 18221
5803 1 11 . 1 1 105 105 ALA CB C 96 17.587 17.587 18.339 -0.752 18221
5804 1 11 . 1 1 105 105 ALA H H 96 7.804 7.804 8.223 -0.419 18221
5805 1 11 . 1 1 106 106 TRP N N 97 120.348 120.348 121.007 -0.659 18221
5806 1 11 . 1 1 106 106 TRP C C 97 176.857 176.857 177.448 -0.591 18221
5807 1 11 . 1 1 106 106 TRP CA C 97 56.900 56.900 56.147 0.753 18221
5808 1 11 . 1 1 106 106 TRP H H 97 8.385 8.385 7.733 0.652 18221
5809 1 11 . 1 1 107 107 LEU N N 98 117.756 117.756 121.480 -3.724 18221
5810 1 11 . 1 1 107 107 LEU C C 98 177.659 177.659 176.669 0.990 18221
5811 1 11 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.810 -0.707 18221
5812 1 11 . 1 1 107 107 LEU CB C 98 41.418 41.418 42.100 -0.682 18221
5813 1 11 . 1 1 107 107 LEU H H 98 7.880 7.880 8.689 -0.809 18221
5814 1 11 . 1 1 108 108 GLY N N 99 107.285 107.285 112.032 -4.747 18221
5815 1 11 . 1 1 108 108 GLY C C 99 173.815 173.815 173.873 -0.058 18221
5816 1 11 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.359 0.588 18221
5817 1 11 . 1 1 108 108 GLY H H 99 7.694 7.694 8.359 -0.665 18221
5818 1 11 . 1 1 109 109 SER N N 100 117.139 117.139 119.235 -2.096 18221
5819 1 11 . 1 1 109 109 SER C C 100 172.179 172.179 173.345 -1.166 18221
5820 1 11 . 1 1 109 109 SER CA C 100 56.015 56.015 57.608 -1.593 18221
5821 1 11 . 1 1 109 109 SER CB C 100 62.771 62.771 63.564 -0.793 18221
5822 1 11 . 1 1 109 109 SER H H 100 8.030 8.030 8.111 -0.081 18221
5823 1 11 . 1 1 111 111 PRO C C 102 177.073 177.073 175.987 1.086 18221
5824 1 11 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.331 -1.132 18221
5825 1 11 . 1 1 111 111 PRO CB C 102 31.211 31.211 30.439 0.772 18221
5826 1 11 . 1 1 112 112 SER N N 103 117.115 117.115 115.613 1.502 18221
5827 1 11 . 1 1 112 112 SER C C 103 173.898 173.898 174.445 -0.547 18221
5828 1 11 . 1 1 112 112 SER CA C 103 57.904 57.904 58.229 -0.325 18221
5829 1 11 . 1 1 112 112 SER CB C 103 63.360 63.360 64.525 -1.165 18221
5830 1 11 . 1 1 112 112 SER H H 103 8.345 8.345 8.747 -0.402 18221
5831 1 12 . 1 1 11 11 GLY N N 2 109.366 109.366 109.537 -0.171 18221
5832 1 12 . 1 1 11 11 GLY C C 2 174.543 174.543 172.905 1.638 18221
5833 1 12 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.080 0.615 18221
5834 1 12 . 1 1 11 11 GLY H H 2 8.271 8.271 8.450 -0.179 18221
5835 1 12 . 1 1 12 12 LYS N N 3 121.129 121.129 121.757 -0.628 18221
5836 1 12 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.621 -0.489 18221
5837 1 12 . 1 1 12 12 LYS C C 3 177.234 177.234 175.481 1.753 18221
5838 1 12 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.321 0.491 18221
5839 1 12 . 1 1 12 12 LYS CB C 3 31.846 31.846 33.926 -2.080 18221
5840 1 12 . 1 1 12 12 LYS H H 3 8.057 8.057 8.260 -0.203 18221
5841 1 12 . 1 1 13 13 GLU N N 4 120.318 120.318 123.023 -2.705 18221
5842 1 12 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.318 -0.163 18221
5843 1 12 . 1 1 13 13 GLU C C 4 176.857 176.857 176.907 -0.050 18221
5844 1 12 . 1 1 13 13 GLU CA C 4 56.871 56.871 57.800 -0.929 18221
5845 1 12 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.133 -1.745 18221
5846 1 12 . 1 1 13 13 GLU H H 4 8.398 8.398 8.846 -0.448 18221
5847 1 12 . 1 1 14 14 SER N N 5 115.504 115.504 113.759 1.745 18221
5848 1 12 . 1 1 14 14 SER HA H 5 3.843 3.843 4.629 -0.786 18221
5849 1 12 . 1 1 14 14 SER C C 5 175.337 175.337 174.606 0.731 18221
5850 1 12 . 1 1 14 14 SER CA C 5 58.524 58.524 58.290 0.234 18221
5851 1 12 . 1 1 14 14 SER CB C 5 63.360 63.360 64.938 -1.578 18221
5852 1 12 . 1 1 14 14 SER H H 5 8.089 8.089 8.316 -0.227 18221
5853 1 12 . 1 1 15 15 GLY N N 6 110.761 110.761 109.440 1.321 18221
5854 1 12 . 1 1 15 15 GLY C C 6 174.581 174.581 175.563 -0.982 18221
5855 1 12 . 1 1 15 15 GLY CA C 6 45.566 45.566 44.592 0.974 18221
5856 1 12 . 1 1 15 15 GLY H H 6 8.197 8.197 7.859 0.338 18221
5857 1 12 . 1 1 16 16 TRP N N 7 121.800 121.800 123.207 -1.407 18221
5858 1 12 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.552 0.008 18221
5859 1 12 . 1 1 16 16 TRP C C 7 176.920 176.920 176.114 0.806 18221
5860 1 12 . 1 1 16 16 TRP CA C 7 58.081 58.081 58.713 -0.632 18221
5861 1 12 . 1 1 16 16 TRP CB C 7 28.679 28.679 28.966 -0.287 18221
5862 1 12 . 1 1 16 16 TRP H H 7 8.184 8.184 8.342 -0.158 18221
5863 1 12 . 1 1 17 17 ASP N N 8 121.132 121.132 116.096 5.036 18221
5864 1 12 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.691 -0.296 18221
5865 1 12 . 1 1 17 17 ASP C C 8 176.941 176.941 175.473 1.468 18221
5866 1 12 . 1 1 17 17 ASP CA C 8 56.244 56.244 53.515 2.729 18221
5867 1 12 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.876 -1.931 18221
5868 1 12 . 1 1 17 17 ASP H H 8 8.332 8.332 8.027 0.305 18221
5869 1 12 . 1 1 18 18 SER N N 9 116.148 116.148 116.378 -0.230 18221
5870 1 12 . 1 1 18 18 SER HA H 9 3.861 3.861 4.306 -0.445 18221
5871 1 12 . 1 1 18 18 SER CA C 9 60.081 60.081 58.872 1.209 18221
5872 1 12 . 1 1 18 18 SER CB C 9 62.255 62.255 63.458 -1.203 18221
5873 1 12 . 1 1 18 18 SER H H 9 8.129 8.129 8.311 -0.182 18221
5874 1 12 . 1 1 19 19 GLY N N 10 110.747 110.747 111.381 -0.634 18221
5875 1 12 . 1 1 19 19 GLY C C 10 174.682 174.682 175.997 -1.315 18221
5876 1 12 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.414 1.186 18221
5877 1 12 . 1 1 19 19 GLY H H 10 8.216 8.216 8.482 -0.266 18221
5878 1 12 . 1 1 20 20 ARG N N 11 121.405 121.405 121.099 0.306 18221
5879 1 12 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.083 -0.226 18221
5880 1 12 . 1 1 20 20 ARG C C 11 178.328 178.328 178.740 -0.412 18221
5881 1 12 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.837 0.248 18221
5882 1 12 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.022 -0.975 18221
5883 1 12 . 1 1 20 20 ARG H H 11 8.158 8.158 8.607 -0.449 18221
5884 1 12 . 1 1 21 21 ALA N N 12 122.167 122.167 119.839 2.328 18221
5885 1 12 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.063 0.037 18221
5886 1 12 . 1 1 21 21 ALA C C 12 180.129 180.129 179.206 0.923 18221
5887 1 12 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.482 -0.090 18221
5888 1 12 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.933 -0.519 18221
5889 1 12 . 1 1 21 21 ALA H H 12 7.963 7.963 8.505 -0.542 18221
5890 1 12 . 1 1 22 22 ALA N N 13 122.150 122.150 122.160 -0.010 18221
5891 1 12 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.961 0.076 18221
5892 1 12 . 1 1 22 22 ALA C C 13 179.095 179.095 179.579 -0.484 18221
5893 1 12 . 1 1 22 22 ALA CA C 13 54.716 54.716 55.044 -0.328 18221
5894 1 12 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.137 -0.577 18221
5895 1 12 . 1 1 22 22 ALA H H 13 7.881 7.881 7.650 0.231 18221
5896 1 12 . 1 1 23 23 VAL N N 14 117.107 117.107 116.112 0.995 18221
5897 1 12 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.557 -0.077 18221
5898 1 12 . 1 1 23 23 VAL C C 14 177.586 177.586 177.643 -0.057 18221
5899 1 12 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.769 0.429 18221
5900 1 12 . 1 1 23 23 VAL CB C 14 30.520 30.520 31.025 -0.505 18221
5901 1 12 . 1 1 23 23 VAL H H 14 7.888 7.888 8.145 -0.257 18221
5902 1 12 . 1 1 24 24 ALA N N 15 121.333 121.333 122.491 -1.158 18221
5903 1 12 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.947 0.034 18221
5904 1 12 . 1 1 24 24 ALA C C 15 180.373 180.373 179.331 1.042 18221
5905 1 12 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.039 -0.028 18221
5906 1 12 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.889 -0.637 18221
5907 1 12 . 1 1 24 24 ALA H H 15 8.037 8.037 7.905 0.132 18221
5908 1 12 . 1 1 25 25 ALA N N 16 121.158 121.158 119.191 1.967 18221
5909 1 12 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.145 0.001 18221
5910 1 12 . 1 1 25 25 ALA C C 16 179.828 179.828 178.803 1.025 18221
5911 1 12 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.660 -0.209 18221
5912 1 12 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.550 -1.063 18221
5913 1 12 . 1 1 25 25 ALA H H 16 7.819 7.819 7.886 -0.067 18221
5914 1 12 . 1 1 26 26 VAL N N 17 118.417 118.417 116.854 1.563 18221
5915 1 12 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.907 -0.129 18221
5916 1 12 . 1 1 26 26 VAL C C 17 178.020 178.020 177.298 0.722 18221
5917 1 12 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.701 1.877 18221
5918 1 12 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.755 -0.670 18221
5919 1 12 . 1 1 26 26 VAL H H 17 7.848 7.848 7.401 0.447 18221
5920 1 12 . 1 1 27 27 VAL N N 18 119.240 119.240 118.484 0.756 18221
5921 1 12 . 1 1 27 27 VAL C C 18 177.719 177.719 177.101 0.618 18221
5922 1 12 . 1 1 27 27 VAL CA C 18 65.991 65.991 65.014 0.977 18221
5923 1 12 . 1 1 27 27 VAL CB C 18 30.187 30.187 31.806 -1.619 18221
5924 1 12 . 1 1 27 27 VAL H H 18 8.377 8.377 7.613 0.764 18221
5925 1 12 . 1 1 28 28 GLY N N 19 106.009 106.009 107.300 -1.291 18221
5926 1 12 . 1 1 28 28 GLY C C 19 176.212 176.212 174.225 1.987 18221
5927 1 12 . 1 1 28 28 GLY CA C 19 46.244 46.244 45.985 0.259 18221
5928 1 12 . 1 1 28 28 GLY H H 19 8.122 8.122 7.677 0.445 18221
5929 1 12 . 1 1 29 29 GLY N N 20 110.216 110.216 113.391 -3.175 18221
5930 1 12 . 1 1 29 29 GLY C C 20 174.097 174.097 174.613 -0.516 18221
5931 1 12 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.626 1.708 18221
5932 1 12 . 1 1 29 29 GLY H H 20 8.039 8.039 7.954 0.085 18221
5933 1 12 . 1 1 30 30 VAL N N 21 121.188 121.188 121.813 -0.625 18221
5934 1 12 . 1 1 30 30 VAL C C 21 177.073 177.073 177.345 -0.272 18221
5935 1 12 . 1 1 30 30 VAL CA C 21 62.574 62.574 66.152 -3.578 18221
5936 1 12 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.796 -1.006 18221
5937 1 12 . 1 1 30 30 VAL H H 21 7.983 7.983 8.120 -0.137 18221
5938 1 12 . 1 1 32 32 ALA N N 23 125.091 125.091 121.379 3.712 18221
5939 1 12 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.081 0.179 18221
5940 1 12 . 1 1 32 32 ALA C C 23 179.523 179.523 180.175 -0.652 18221
5941 1 12 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.191 -1.508 18221
5942 1 12 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.111 -1.728 18221
5943 1 12 . 1 1 32 32 ALA H H 23 8.036 8.036 8.360 -0.324 18221
5944 1 12 . 1 1 33 33 VAL N N 24 118.793 118.793 117.500 1.293 18221
5945 1 12 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.587 0.121 18221
5946 1 12 . 1 1 33 33 VAL C C 24 177.901 177.901 178.358 -0.457 18221
5947 1 12 . 1 1 33 33 VAL CA C 24 65.430 65.430 66.574 -1.144 18221
5948 1 12 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.047 0.271 18221
5949 1 12 . 1 1 33 33 VAL H H 24 8.195 8.195 8.123 0.072 18221
5950 1 12 . 1 1 34 34 GLY N N 25 108.367 108.367 108.172 0.195 18221
5951 1 12 . 1 1 34 34 GLY C C 25 175.424 175.424 175.681 -0.257 18221
5952 1 12 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.414 -0.080 18221
5953 1 12 . 1 1 34 34 GLY H H 25 8.651 8.651 8.317 0.334 18221
5954 1 12 . 1 1 35 35 THR N N 26 116.448 116.448 119.890 -3.442 18221
5955 1 12 . 1 1 35 35 THR C C 26 176.843 176.843 177.006 -0.163 18221
5956 1 12 . 1 1 35 35 THR CA C 26 65.962 65.962 67.722 -1.760 18221
5957 1 12 . 1 1 35 35 THR CB C 26 68.414 68.414 68.797 -0.383 18221
5958 1 12 . 1 1 35 35 THR H H 26 7.975 7.975 8.364 -0.389 18221
5959 1 12 . 1 1 36 36 VAL N N 27 122.810 122.810 120.617 2.193 18221
5960 1 12 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.582 0.137 18221
5961 1 12 . 1 1 36 36 VAL C C 27 177.618 177.618 177.389 0.229 18221
5962 1 12 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.823 -1.097 18221
5963 1 12 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.410 -0.743 18221
5964 1 12 . 1 1 36 36 VAL H H 27 7.559 7.559 8.010 -0.451 18221
5965 1 12 . 1 1 37 37 LEU N N 28 119.566 119.566 120.873 -1.307 18221
5966 1 12 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.931 0.022 18221
5967 1 12 . 1 1 37 37 LEU C C 28 179.666 179.666 178.805 0.861 18221
5968 1 12 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.410 -0.565 18221
5969 1 12 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.829 -1.663 18221
5970 1 12 . 1 1 37 37 LEU H H 28 8.086 8.086 7.755 0.331 18221
5971 1 12 . 1 1 38 38 VAL N N 29 119.468 119.468 118.068 1.400 18221
5972 1 12 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.537 0.116 18221
5973 1 12 . 1 1 38 38 VAL C C 29 178.639 178.639 177.849 0.790 18221
5974 1 12 . 1 1 38 38 VAL CA C 29 65.473 65.473 65.641 -0.168 18221
5975 1 12 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.056 -0.447 18221
5976 1 12 . 1 1 38 38 VAL H H 29 8.066 8.066 8.455 -0.389 18221
5977 1 12 . 1 1 39 39 ALA N N 30 124.255 124.255 123.110 1.145 18221
5978 1 12 . 1 1 39 39 ALA HA H 30 4.165 4.165 3.916 0.249 18221
5979 1 12 . 1 1 39 39 ALA C C 30 180.303 180.303 179.093 1.210 18221
5980 1 12 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.246 -0.412 18221
5981 1 12 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.530 -0.822 18221
5982 1 12 . 1 1 39 39 ALA H H 30 7.688 7.688 7.798 -0.110 18221
5983 1 12 . 1 1 40 40 LEU N N 31 118.268 118.268 117.316 0.952 18221
5984 1 12 . 1 1 40 40 LEU HA H 31 4.141 4.141 3.947 0.194 18221
5985 1 12 . 1 1 40 40 LEU C C 31 179.271 179.271 179.205 0.066 18221
5986 1 12 . 1 1 40 40 LEU CA C 31 57.078 57.078 58.002 -0.924 18221
5987 1 12 . 1 1 40 40 LEU CB C 31 40.902 40.902 41.194 -0.292 18221
5988 1 12 . 1 1 40 40 LEU H H 31 8.326 8.326 8.008 0.318 18221
5989 1 12 . 1 1 41 41 SER N N 32 114.984 114.984 116.802 -1.818 18221
5990 1 12 . 1 1 41 41 SER HA H 32 3.952 3.952 4.088 -0.136 18221
5991 1 12 . 1 1 41 41 SER C C 32 176.284 176.284 176.001 0.283 18221
5992 1 12 . 1 1 41 41 SER CA C 32 60.885 60.885 61.125 -0.240 18221
5993 1 12 . 1 1 41 41 SER CB C 32 62.410 62.410 63.115 -0.705 18221
5994 1 12 . 1 1 41 41 SER H H 32 8.062 8.062 8.661 -0.599 18221
5995 1 12 . 1 1 42 42 ALA N N 33 124.588 124.588 123.705 0.883 18221
5996 1 12 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.526 -0.301 18221
5997 1 12 . 1 1 42 42 ALA C C 33 179.033 179.033 177.788 1.245 18221
5998 1 12 . 1 1 42 42 ALA CA C 33 53.713 53.713 51.412 2.301 18221
5999 1 12 . 1 1 42 42 ALA CB C 33 17.929 17.929 17.034 0.895 18221
6000 1 12 . 1 1 42 42 ALA H H 33 7.813 7.813 7.906 -0.093 18221
6001 1 12 . 1 1 43 43 MET N N 34 116.808 116.808 119.859 -3.051 18221
6002 1 12 . 1 1 43 43 MET HA H 34 4.285 4.285 4.469 -0.184 18221
6003 1 12 . 1 1 43 43 MET C C 34 176.807 176.807 177.109 -0.302 18221
6004 1 12 . 1 1 43 43 MET CA C 34 56.576 56.576 57.216 -0.640 18221
6005 1 12 . 1 1 43 43 MET CB C 34 32.435 32.435 32.944 -0.509 18221
6006 1 12 . 1 1 43 43 MET H H 34 7.691 7.691 7.742 -0.051 18221
6007 1 12 . 1 1 44 44 GLY N N 35 107.020 107.020 104.500 2.520 18221
6008 1 12 . 1 1 44 44 GLY C C 35 174.493 174.493 174.085 0.408 18221
6009 1 12 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.114 -0.049 18221
6010 1 12 . 1 1 44 44 GLY H H 35 7.793 7.793 7.826 -0.033 18221
6011 1 12 . 1 1 45 45 PHE N N 36 120.285 120.285 119.159 1.126 18221
6012 1 12 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.052 0.455 18221
6013 1 12 . 1 1 45 45 PHE C C 36 176.876 176.876 175.097 1.779 18221
6014 1 12 . 1 1 45 45 PHE CA C 36 58.937 58.937 59.082 -0.145 18221
6015 1 12 . 1 1 45 45 PHE CB C 36 38.178 38.178 38.096 0.082 18221
6016 1 12 . 1 1 45 45 PHE H H 36 8.215 8.215 8.147 0.068 18221
6017 1 12 . 1 1 46 46 THR N N 37 114.008 114.008 113.426 0.582 18221
6018 1 12 . 1 1 46 46 THR HA H 37 4.080 4.080 4.511 -0.431 18221
6019 1 12 . 1 1 46 46 THR C C 37 175.751 175.751 173.979 1.772 18221
6020 1 12 . 1 1 46 46 THR CA C 37 64.220 64.220 60.932 3.288 18221
6021 1 12 . 1 1 46 46 THR CB C 37 68.514 68.514 70.168 -1.654 18221
6022 1 12 . 1 1 46 46 THR H H 37 8.111 8.111 7.546 0.565 18221
6023 1 12 . 1 1 47 47 SER N N 38 116.646 116.646 119.612 -2.966 18221
6024 1 12 . 1 1 47 47 SER HA H 38 3.918 3.918 4.440 -0.522 18221
6025 1 12 . 1 1 47 47 SER C C 38 176.744 176.744 174.352 2.392 18221
6026 1 12 . 1 1 47 47 SER CA C 38 59.911 59.911 59.185 0.726 18221
6027 1 12 . 1 1 47 47 SER CB C 38 62.624 62.624 63.335 -0.711 18221
6028 1 12 . 1 1 47 47 SER H H 38 8.079 8.079 8.550 -0.471 18221
6029 1 12 . 1 1 48 48 VAL N N 39 121.929 121.929 124.140 -2.211 18221
6030 1 12 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.915 -0.006 18221
6031 1 12 . 1 1 48 48 VAL C C 39 177.033 177.033 177.996 -0.963 18221
6032 1 12 . 1 1 48 48 VAL CA C 39 64.988 64.988 65.468 -0.480 18221
6033 1 12 . 1 1 48 48 VAL CB C 39 30.667 30.667 30.848 -0.180 18221
6034 1 12 . 1 1 48 48 VAL H H 39 7.985 7.985 8.101 -0.116 18221
6035 1 12 . 1 1 49 49 GLY N N 40 108.633 108.633 107.546 1.087 18221
6036 1 12 . 1 1 49 49 GLY C C 40 176.038 176.038 176.702 -0.664 18221
6037 1 12 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.765 -0.900 18221
6038 1 12 . 1 1 49 49 GLY H H 40 8.267 8.267 8.533 -0.266 18221
6039 1 12 . 1 1 50 50 ILE N N 41 122.466 122.466 122.720 -0.254 18221
6040 1 12 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.709 0.162 18221
6041 1 12 . 1 1 50 50 ILE C C 41 178.363 178.363 177.945 0.418 18221
6042 1 12 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.732 -1.217 18221
6043 1 12 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.710 -0.472 18221
6044 1 12 . 1 1 50 50 ILE H H 41 7.865 7.865 7.803 0.062 18221
6045 1 12 . 1 1 51 51 ALA N N 42 125.064 125.064 121.278 3.786 18221
6046 1 12 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.954 0.145 18221
6047 1 12 . 1 1 51 51 ALA C C 42 179.385 179.385 179.434 -0.049 18221
6048 1 12 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.170 -0.690 18221
6049 1 12 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.780 -0.293 18221
6050 1 12 . 1 1 51 51 ALA H H 42 7.930 7.930 8.169 -0.239 18221
6051 1 12 . 1 1 52 52 ALA N N 43 120.594 120.594 120.360 0.234 18221
6052 1 12 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.092 -0.155 18221
6053 1 12 . 1 1 52 52 ALA C C 43 179.088 179.088 180.036 -0.948 18221
6054 1 12 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.934 0.166 18221
6055 1 12 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.200 -0.565 18221
6056 1 12 . 1 1 52 52 ALA H H 43 8.639 8.639 8.178 0.461 18221
6057 1 12 . 1 1 53 53 SER N N 44 113.012 113.012 115.552 -2.540 18221
6058 1 12 . 1 1 53 53 SER HA H 44 3.966 3.966 4.230 -0.264 18221
6059 1 12 . 1 1 53 53 SER C C 44 176.898 176.898 176.866 0.032 18221
6060 1 12 . 1 1 53 53 SER CA C 44 61.139 61.139 61.667 -0.528 18221
6061 1 12 . 1 1 53 53 SER CB C 44 62.347 62.347 62.544 -0.197 18221
6062 1 12 . 1 1 53 53 SER H H 44 8.193 8.193 8.236 -0.043 18221
6063 1 12 . 1 1 54 54 SER N N 45 118.714 118.714 119.300 -0.586 18221
6064 1 12 . 1 1 54 54 SER HA H 45 3.975 3.975 4.172 -0.197 18221
6065 1 12 . 1 1 54 54 SER C C 45 177.131 177.131 176.579 0.552 18221
6066 1 12 . 1 1 54 54 SER CA C 45 61.210 61.210 62.393 -1.183 18221
6067 1 12 . 1 1 54 54 SER CB C 45 62.255 62.255 63.237 -0.982 18221
6068 1 12 . 1 1 54 54 SER H H 45 7.944 7.944 8.054 -0.110 18221
6069 1 12 . 1 1 55 55 ILE N N 46 122.912 122.912 117.953 4.959 18221
6070 1 12 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.882 -0.125 18221
6071 1 12 . 1 1 55 55 ILE C C 46 177.813 177.813 176.983 0.830 18221
6072 1 12 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.183 0.008 18221
6073 1 12 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.645 -0.719 18221
6074 1 12 . 1 1 55 55 ILE H H 46 8.028 8.028 8.189 -0.161 18221
6075 1 12 . 1 1 56 56 ALA N N 47 122.990 122.990 122.429 0.561 18221
6076 1 12 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.081 -0.125 18221
6077 1 12 . 1 1 56 56 ALA C C 47 180.294 180.294 178.877 1.417 18221
6078 1 12 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.447 -0.109 18221
6079 1 12 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.376 -0.674 18221
6080 1 12 . 1 1 56 56 ALA H H 47 8.333 8.333 7.766 0.567 18221
6081 1 12 . 1 1 57 57 ALA N N 48 121.988 121.988 120.409 1.579 18221
6082 1 12 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.153 -0.085 18221
6083 1 12 . 1 1 57 57 ALA CA C 48 54.421 54.421 53.782 0.639 18221
6084 1 12 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.306 -1.604 18221
6085 1 12 . 1 1 57 57 ALA H H 48 7.879 7.879 7.899 -0.020 18221
6086 1 12 . 1 1 58 58 LYS N N 49 119.094 119.094 115.745 3.349 18221
6087 1 12 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.870 0.276 18221
6088 1 12 . 1 1 58 58 LYS C C 49 179.649 179.649 177.673 1.976 18221
6089 1 12 . 1 1 58 58 LYS CA C 49 57.157 57.157 58.811 -1.654 18221
6090 1 12 . 1 1 58 58 LYS CB C 49 31.330 31.330 31.236 0.094 18221
6091 1 12 . 1 1 58 58 LYS H H 49 7.727 7.727 8.621 -0.894 18221
6092 1 12 . 1 1 59 59 MET N N 50 120.498 120.498 119.409 1.089 18221
6093 1 12 . 1 1 59 59 MET HA H 50 4.156 4.156 4.496 -0.340 18221
6094 1 12 . 1 1 59 59 MET C C 50 177.949 177.949 176.027 1.922 18221
6095 1 12 . 1 1 59 59 MET CA C 50 57.136 57.136 55.767 1.369 18221
6096 1 12 . 1 1 59 59 MET CB C 50 31.922 31.922 31.318 0.604 18221
6097 1 12 . 1 1 59 59 MET H H 50 8.395 8.395 7.954 0.441 18221
6098 1 12 . 1 1 60 60 MET N N 51 117.689 117.689 121.267 -3.578 18221
6099 1 12 . 1 1 60 60 MET HA H 51 4.222 4.222 4.620 -0.398 18221
6100 1 12 . 1 1 60 60 MET C C 51 177.674 177.674 176.479 1.195 18221
6101 1 12 . 1 1 60 60 MET CA C 51 57.638 57.638 54.898 2.740 18221
6102 1 12 . 1 1 60 60 MET CB C 51 31.785 31.785 34.749 -2.964 18221
6103 1 12 . 1 1 60 60 MET H H 51 8.234 8.234 8.431 -0.197 18221
6104 1 12 . 1 1 61 61 SER N N 52 114.385 114.385 116.191 -1.806 18221
6105 1 12 . 1 1 61 61 SER HA H 52 4.001 4.001 4.299 -0.298 18221
6106 1 12 . 1 1 61 61 SER C C 52 176.079 176.079 174.194 1.885 18221
6107 1 12 . 1 1 61 61 SER CA C 52 59.911 59.911 58.965 0.946 18221
6108 1 12 . 1 1 61 61 SER CB C 52 62.624 62.624 63.728 -1.104 18221
6109 1 12 . 1 1 61 61 SER H H 52 7.893 7.893 8.382 -0.489 18221
6110 1 12 . 1 1 62 62 THR N N 53 117.304 117.304 118.145 -0.841 18221
6111 1 12 . 1 1 62 62 THR HA H 53 4.104 4.104 4.013 0.091 18221
6112 1 12 . 1 1 62 62 THR C C 53 175.436 175.436 175.218 0.218 18221
6113 1 12 . 1 1 62 62 THR CA C 53 64.220 64.220 63.661 0.559 18221
6114 1 12 . 1 1 62 62 THR CB C 53 68.514 68.514 68.657 -0.143 18221
6115 1 12 . 1 1 62 62 THR H H 53 7.794 7.794 8.240 -0.446 18221
6116 1 12 . 1 1 63 63 ALA N N 54 125.382 125.382 129.043 -3.661 18221
6117 1 12 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.025 0.069 18221
6118 1 12 . 1 1 63 63 ALA C C 54 178.328 178.328 176.805 1.523 18221
6119 1 12 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.758 1.338 18221
6120 1 12 . 1 1 63 63 ALA CB C 54 17.708 17.708 18.415 -0.707 18221
6121 1 12 . 1 1 63 63 ALA H H 54 8.204 8.204 8.385 -0.181 18221
6122 1 12 . 1 1 64 64 ALA N N 55 119.929 119.929 127.504 -7.575 18221
6123 1 12 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.252 -0.127 18221
6124 1 12 . 1 1 64 64 ALA C C 55 179.183 179.183 176.701 2.482 18221
6125 1 12 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.440 1.597 18221
6126 1 12 . 1 1 64 64 ALA CB C 55 17.708 17.708 17.826 -0.118 18221
6127 1 12 . 1 1 64 64 ALA H H 55 7.951 7.951 8.760 -0.809 18221
6128 1 12 . 1 1 65 65 ILE N N 56 117.016 117.016 119.865 -2.849 18221
6129 1 12 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.301 -0.351 18221
6130 1 12 . 1 1 65 65 ILE C C 56 177.222 177.222 176.718 0.504 18221
6131 1 12 . 1 1 65 65 ILE CA C 56 62.184 62.184 60.912 1.272 18221
6132 1 12 . 1 1 65 65 ILE CB C 56 37.073 37.073 38.847 -1.774 18221
6133 1 12 . 1 1 65 65 ILE H H 56 7.561 7.561 8.410 -0.849 18221
6134 1 12 . 1 1 66 66 ALA N N 57 124.191 124.191 123.333 0.858 18221
6135 1 12 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.071 0.106 18221
6136 1 12 . 1 1 66 66 ALA C C 57 178.190 178.190 175.989 2.201 18221
6137 1 12 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.591 0.945 18221
6138 1 12 . 1 1 66 66 ALA CB C 57 17.929 17.929 17.747 0.182 18221
6139 1 12 . 1 1 66 66 ALA H H 57 7.982 7.982 8.195 -0.213 18221
6140 1 12 . 1 1 67 67 ASN N N 58 116.132 116.132 116.001 0.131 18221
6141 1 12 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.751 -0.078 18221
6142 1 12 . 1 1 67 67 ASN C C 58 176.344 176.344 175.628 0.716 18221
6143 1 12 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.175 0.302 18221
6144 1 12 . 1 1 67 67 ASN CB C 58 38.472 38.472 39.919 -1.447 18221
6145 1 12 . 1 1 67 67 ASN H H 58 8.113 8.113 8.292 -0.179 18221
6146 1 12 . 1 1 68 68 GLY N N 59 108.808 108.808 111.363 -2.555 18221
6147 1 12 . 1 1 68 68 GLY C C 59 174.958 174.958 173.927 1.031 18221
6148 1 12 . 1 1 68 68 GLY CA C 59 45.655 45.655 45.670 -0.016 18221
6149 1 12 . 1 1 68 68 GLY H H 59 8.152 8.152 8.609 -0.457 18221
6150 1 12 . 1 1 69 69 GLY N N 60 108.832 108.832 111.350 -2.518 18221
6151 1 12 . 1 1 69 69 GLY C C 60 174.631 174.631 173.727 0.904 18221
6152 1 12 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.905 0.514 18221
6153 1 12 . 1 1 69 69 GLY H H 60 8.218 8.218 8.342 -0.124 18221
6154 1 12 . 1 1 70 70 GLY N N 61 108.966 108.966 110.754 -1.788 18221
6155 1 12 . 1 1 70 70 GLY C C 61 174.594 174.594 173.712 0.882 18221
6156 1 12 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.620 0.740 18221
6157 1 12 . 1 1 70 70 GLY H H 61 8.175 8.175 7.897 0.278 18221
6158 1 12 . 1 1 71 71 VAL N N 62 120.209 120.209 120.260 -0.051 18221
6159 1 12 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.887 0.119 18221
6160 1 12 . 1 1 71 71 VAL C C 62 176.077 176.077 176.873 -0.796 18221
6161 1 12 . 1 1 71 71 VAL CA C 62 62.390 62.390 64.424 -2.034 18221
6162 1 12 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.090 -0.392 18221
6163 1 12 . 1 1 71 71 VAL H H 62 7.882 7.882 8.406 -0.524 18221
6164 1 12 . 1 1 72 72 ALA N N 63 126.966 126.966 120.487 6.479 18221
6165 1 12 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.166 -0.140 18221
6166 1 12 . 1 1 72 72 ALA C C 63 178.064 178.064 176.021 2.043 18221
6167 1 12 . 1 1 72 72 ALA CA C 63 52.503 52.503 52.517 -0.014 18221
6168 1 12 . 1 1 72 72 ALA CB C 63 18.225 18.225 17.169 1.056 18221
6169 1 12 . 1 1 72 72 ALA H H 63 8.237 8.237 8.059 0.178 18221
6170 1 12 . 1 1 73 73 ALA N N 64 123.432 123.432 126.007 -2.575 18221
6171 1 12 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.460 -0.445 18221
6172 1 12 . 1 1 73 73 ALA C C 64 178.995 178.995 177.398 1.597 18221
6173 1 12 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.159 2.262 18221
6174 1 12 . 1 1 73 73 ALA CB C 64 18.003 18.003 20.307 -2.304 18221
6175 1 12 . 1 1 73 73 ALA H H 64 8.421 8.421 7.967 0.454 18221
6176 1 12 . 1 1 74 74 GLY N N 65 105.577 105.577 107.961 -2.384 18221
6177 1 12 . 1 1 74 74 GLY C C 65 176.367 176.367 174.966 1.401 18221
6178 1 12 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.005 2.239 18221
6179 1 12 . 1 1 74 74 GLY H H 65 8.448 8.448 7.696 0.752 18221
6180 1 12 . 1 1 75 75 SER N N 66 117.656 117.656 115.321 2.335 18221
6181 1 12 . 1 1 75 75 SER HA H 66 4.394 4.394 4.093 0.301 18221
6182 1 12 . 1 1 75 75 SER C C 66 176.329 176.329 176.565 -0.236 18221
6183 1 12 . 1 1 75 75 SER CA C 66 60.236 60.236 61.229 -0.993 18221
6184 1 12 . 1 1 75 75 SER CB C 66 62.476 62.476 63.178 -0.702 18221
6185 1 12 . 1 1 75 75 SER H H 66 7.899 7.899 8.507 -0.608 18221
6186 1 12 . 1 1 76 76 LEU N N 67 122.743 122.743 121.672 1.071 18221
6187 1 12 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.994 0.056 18221
6188 1 12 . 1 1 76 76 LEU C C 67 178.442 178.442 178.588 -0.146 18221
6189 1 12 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.783 -0.263 18221
6190 1 12 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.577 -0.896 18221
6191 1 12 . 1 1 76 76 LEU H H 67 7.955 7.955 7.733 0.222 18221
6192 1 12 . 1 1 77 77 VAL N N 68 118.400 118.400 118.482 -0.082 18221
6193 1 12 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.498 -0.027 18221
6194 1 12 . 1 1 77 77 VAL C C 68 177.297 177.297 177.071 0.226 18221
6195 1 12 . 1 1 77 77 VAL CA C 68 66.670 66.670 65.672 0.998 18221
6196 1 12 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.542 -1.022 18221
6197 1 12 . 1 1 77 77 VAL H H 68 8.039 8.039 8.037 0.002 18221
6198 1 12 . 1 1 78 78 ALA N N 69 121.927 121.927 122.194 -0.267 18221
6199 1 12 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.010 0.195 18221
6200 1 12 . 1 1 78 78 ALA C C 69 181.258 181.258 179.522 1.736 18221
6201 1 12 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.379 -0.397 18221
6202 1 12 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.043 -0.629 18221
6203 1 12 . 1 1 78 78 ALA H H 69 7.631 7.631 7.802 -0.171 18221
6204 1 12 . 1 1 79 79 ILE N N 70 119.782 119.782 119.247 0.535 18221
6205 1 12 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.741 0.055 18221
6206 1 12 . 1 1 79 79 ILE C C 70 178.253 178.253 177.890 0.363 18221
6207 1 12 . 1 1 79 79 ILE CA C 70 64.352 64.352 64.251 0.101 18221
6208 1 12 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.888 -0.814 18221
6209 1 12 . 1 1 79 79 ILE H H 70 7.841 7.841 7.758 0.083 18221
6210 1 12 . 1 1 80 80 LEU N N 71 120.841 120.841 122.057 -1.216 18221
6211 1 12 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.793 0.144 18221
6212 1 12 . 1 1 80 80 LEU C C 71 179.234 179.234 178.665 0.569 18221
6213 1 12 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.700 -0.855 18221
6214 1 12 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.911 -1.892 18221
6215 1 12 . 1 1 80 80 LEU H H 71 8.190 8.190 8.343 -0.153 18221
6216 1 12 . 1 1 81 81 GLN N N 72 117.558 117.558 117.407 0.151 18221
6217 1 12 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.963 0.006 18221
6218 1 12 . 1 1 81 81 GLN C C 72 178.530 178.530 178.461 0.069 18221
6219 1 12 . 1 1 81 81 GLN CA C 72 58.819 58.819 58.482 0.337 18221
6220 1 12 . 1 1 81 81 GLN CB C 72 27.280 27.280 27.820 -0.540 18221
6221 1 12 . 1 1 81 81 GLN H H 72 8.489 8.489 8.310 0.179 18221
6222 1 12 . 1 1 82 82 SER N N 73 116.103 116.103 116.440 -0.337 18221
6223 1 12 . 1 1 82 82 SER HA H 73 4.233 4.233 4.125 0.108 18221
6224 1 12 . 1 1 82 82 SER C C 73 177.243 177.243 176.715 0.528 18221
6225 1 12 . 1 1 82 82 SER CA C 73 61.044 61.044 61.669 -0.625 18221
6226 1 12 . 1 1 82 82 SER CB C 73 62.257 62.257 62.829 -0.572 18221
6227 1 12 . 1 1 82 82 SER H H 73 7.855 7.855 8.073 -0.218 18221
6228 1 12 . 1 1 83 83 VAL N N 74 120.362 120.362 121.034 -0.672 18221
6229 1 12 . 1 1 83 83 VAL C C 74 177.979 177.979 177.491 0.488 18221
6230 1 12 . 1 1 83 83 VAL CA C 74 65.106 65.106 66.053 -0.947 18221
6231 1 12 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.593 -0.852 18221
6232 1 12 . 1 1 83 83 VAL H H 74 8.030 8.030 8.275 -0.245 18221
6233 1 12 . 1 1 84 84 GLY N N 75 108.223 108.223 107.465 0.758 18221
6234 1 12 . 1 1 84 84 GLY C C 75 174.913 174.913 175.512 -0.599 18221
6235 1 12 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.134 -0.357 18221
6236 1 12 . 1 1 84 84 GLY H H 75 8.369 8.369 7.889 0.480 18221
6237 1 12 . 1 1 85 85 ALA N N 76 123.550 123.550 124.226 -0.676 18221
6238 1 12 . 1 1 85 85 ALA HA H 76 4.094 4.094 3.998 0.096 18221
6239 1 12 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.940 -0.342 18221
6240 1 12 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.459 -0.836 18221
6241 1 12 . 1 1 85 85 ALA H H 76 8.115 8.115 8.334 -0.219 18221
6242 1 12 . 1 1 86 86 ALA N N 77 120.410 120.410 120.741 -0.331 18221
6243 1 12 . 1 1 86 86 ALA C C 77 178.988 178.988 179.462 -0.474 18221
6244 1 12 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.398 -0.562 18221
6245 1 12 . 1 1 86 86 ALA CB C 77 17.510 17.510 18.110 -0.600 18221
6246 1 12 . 1 1 86 86 ALA H H 77 8.632 8.632 8.612 0.020 18221
6247 1 12 . 1 1 87 87 GLY N N 78 105.706 105.706 107.043 -1.337 18221
6248 1 12 . 1 1 87 87 GLY C C 78 175.939 175.939 175.807 0.132 18221
6249 1 12 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.729 -0.611 18221
6250 1 12 . 1 1 87 87 GLY H H 78 8.196 8.196 7.879 0.317 18221
6251 1 12 . 1 1 88 88 LEU N N 79 124.128 124.128 121.838 2.290 18221
6252 1 12 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.811 -0.409 18221
6253 1 12 . 1 1 88 88 LEU CB C 79 40.387 40.387 42.038 -1.651 18221
6254 1 12 . 1 1 88 88 LEU H H 79 8.449 8.449 8.113 0.336 18221
6255 1 12 . 1 1 89 89 SER N N 80 116.251 116.251 115.159 1.092 18221
6256 1 12 . 1 1 89 89 SER C C 80 179.153 179.153 176.696 2.457 18221
6257 1 12 . 1 1 89 89 SER CA C 80 61.023 61.023 61.447 -0.423 18221
6258 1 12 . 1 1 89 89 SER CB C 80 62.255 62.255 62.742 -0.487 18221
6259 1 12 . 1 1 89 89 SER H H 80 8.120 8.120 8.235 -0.115 18221
6260 1 12 . 1 1 90 90 VAL N N 81 119.310 119.310 121.642 -2.332 18221
6261 1 12 . 1 1 90 90 VAL C C 81 177.652 177.652 178.387 -0.735 18221
6262 1 12 . 1 1 90 90 VAL CA C 81 65.076 65.076 66.276 -1.200 18221
6263 1 12 . 1 1 90 90 VAL CB C 81 31.330 31.330 30.826 0.504 18221
6264 1 12 . 1 1 90 90 VAL H H 81 7.955 7.955 8.194 -0.239 18221
6265 1 12 . 1 1 91 91 THR N N 82 115.535 115.535 116.712 -1.177 18221
6266 1 12 . 1 1 91 91 THR C C 82 176.571 176.571 176.708 -0.137 18221
6267 1 12 . 1 1 91 91 THR CA C 82 66.434 66.434 67.353 -0.919 18221
6268 1 12 . 1 1 91 91 THR CB C 82 67.742 67.742 68.654 -0.912 18221
6269 1 12 . 1 1 91 91 THR H H 82 7.888 7.888 8.545 -0.657 18221
6270 1 12 . 1 1 92 92 SER N N 83 116.537 116.537 117.818 -1.281 18221
6271 1 12 . 1 1 92 92 SER HA H 83 4.040 4.040 4.003 0.037 18221
6272 1 12 . 1 1 92 92 SER C C 83 176.761 176.761 176.507 0.254 18221
6273 1 12 . 1 1 92 92 SER CA C 83 61.564 61.564 61.620 -0.056 18221
6274 1 12 . 1 1 92 92 SER CB C 83 62.009 62.009 62.372 -0.363 18221
6275 1 12 . 1 1 92 92 SER H H 83 8.212 8.212 8.153 0.059 18221
6276 1 12 . 1 1 93 93 LYS N N 84 122.353 122.353 121.777 0.576 18221
6277 1 12 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.972 0.147 18221
6278 1 12 . 1 1 93 93 LYS C C 84 172.812 172.812 179.499 -6.687 18221
6279 1 12 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.321 -0.886 18221
6280 1 12 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.589 -1.112 18221
6281 1 12 . 1 1 93 93 LYS H H 84 7.642 7.642 8.273 -0.631 18221
6282 1 12 . 1 1 94 94 VAL N N 85 119.348 119.348 116.484 2.864 18221
6283 1 12 . 1 1 94 94 VAL C C 85 177.948 177.948 177.373 0.575 18221
6284 1 12 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.053 0.336 18221
6285 1 12 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.272 0.574 18221
6286 1 12 . 1 1 94 94 VAL H H 85 8.414 8.414 7.818 0.596 18221
6287 1 12 . 1 1 95 95 ILE N N 86 118.769 118.769 119.320 -0.551 18221
6288 1 12 . 1 1 95 95 ILE C C 86 177.972 177.972 176.750 1.222 18221
6289 1 12 . 1 1 95 95 ILE CA C 86 63.837 63.837 62.543 1.294 18221
6290 1 12 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.405 -1.773 18221
6291 1 12 . 1 1 95 95 ILE H H 86 8.169 8.169 7.801 0.368 18221
6292 1 12 . 1 1 96 96 GLY N N 87 107.955 107.955 108.288 -0.333 18221
6293 1 12 . 1 1 96 96 GLY C C 87 176.571 176.571 175.207 1.364 18221
6294 1 12 . 1 1 96 96 GLY CA C 87 46.511 46.511 45.020 1.491 18221
6295 1 12 . 1 1 96 96 GLY H H 87 8.182 8.182 7.989 0.193 18221
6296 1 12 . 1 1 97 97 GLY N N 88 109.117 109.117 107.583 1.534 18221
6297 1 12 . 1 1 97 97 GLY C C 88 175.524 175.524 173.902 1.622 18221
6298 1 12 . 1 1 97 97 GLY CA C 88 45.832 45.832 46.144 -0.312 18221
6299 1 12 . 1 1 97 97 GLY H H 88 7.953 7.953 7.795 0.158 18221
6300 1 12 . 1 1 98 98 PHE N N 89 121.100 121.100 119.787 1.313 18221
6301 1 12 . 1 1 98 98 PHE C C 89 176.367 176.367 173.526 2.841 18221
6302 1 12 . 1 1 98 98 PHE CA C 89 56.900 56.900 57.151 -0.251 18221
6303 1 12 . 1 1 98 98 PHE CB C 89 38.832 38.832 42.266 -3.434 18221
6304 1 12 . 1 1 98 98 PHE H H 89 8.000 8.000 7.906 0.094 18221
6305 1 12 . 1 1 99 99 ALA N N 90 122.834 122.834 125.368 -2.534 18221
6306 1 12 . 1 1 99 99 ALA C C 90 178.348 178.348 175.384 2.964 18221
6307 1 12 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.452 2.825 18221
6308 1 12 . 1 1 99 99 ALA CB C 90 17.414 17.414 19.330 -1.916 18221
6309 1 12 . 1 1 99 99 ALA H H 90 8.322 8.322 8.079 0.243 18221
6310 1 12 . 1 1 100 100 GLY N N 91 106.688 106.688 111.062 -4.374 18221
6311 1 12 . 1 1 100 100 GLY C C 91 175.878 175.878 174.422 1.456 18221
6312 1 12 . 1 1 100 100 GLY CA C 91 45.626 45.626 46.366 -0.740 18221
6313 1 12 . 1 1 100 100 GLY H H 91 8.000 8.000 7.865 0.135 18221
6314 1 12 . 1 1 101 101 THR N N 92 115.689 115.689 117.565 -1.876 18221
6315 1 12 . 1 1 101 101 THR C C 92 178.476 178.476 173.948 4.528 18221
6316 1 12 . 1 1 101 101 THR CA C 92 63.364 63.364 64.146 -0.782 18221
6317 1 12 . 1 1 101 101 THR CB C 92 69.619 69.619 69.149 0.470 18221
6318 1 12 . 1 1 101 101 THR H H 92 7.754 7.754 7.947 -0.193 18221
6319 1 12 . 1 1 102 102 ALA N N 93 124.835 124.835 121.296 3.539 18221
6320 1 12 . 1 1 102 102 ALA CA C 93 54.311 54.311 51.542 2.769 18221
6321 1 12 . 1 1 102 102 ALA CB C 93 17.679 17.679 20.708 -3.029 18221
6322 1 12 . 1 1 102 102 ALA H H 93 7.919 7.919 7.685 0.234 18221
6323 1 12 . 1 1 103 103 LEU N N 94 117.445 117.445 120.699 -3.254 18221
6324 1 12 . 1 1 103 103 LEU CA C 94 56.782 56.782 56.247 0.535 18221
6325 1 12 . 1 1 103 103 LEU CB C 94 40.902 40.902 43.094 -2.192 18221
6326 1 12 . 1 1 103 103 LEU H H 94 8.037 8.037 8.678 -0.641 18221
6327 1 12 . 1 1 104 104 GLY N N 95 106.296 106.296 108.525 -2.229 18221
6328 1 12 . 1 1 104 104 GLY C C 95 175.851 175.851 173.599 2.252 18221
6329 1 12 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.437 2.133 18221
6330 1 12 . 1 1 104 104 GLY H H 95 7.900 7.900 8.052 -0.152 18221
6331 1 12 . 1 1 105 105 ALA N N 96 123.872 123.872 120.546 3.326 18221
6332 1 12 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.230 1.895 18221
6333 1 12 . 1 1 105 105 ALA CB C 96 17.587 17.587 19.294 -1.707 18221
6334 1 12 . 1 1 105 105 ALA H H 96 7.804 7.804 7.985 -0.181 18221
6335 1 12 . 1 1 106 106 TRP N N 97 120.348 120.348 121.142 -0.794 18221
6336 1 12 . 1 1 106 106 TRP C C 97 176.857 176.857 175.530 1.327 18221
6337 1 12 . 1 1 106 106 TRP CA C 97 56.900 56.900 57.267 -0.367 18221
6338 1 12 . 1 1 106 106 TRP H H 97 8.385 8.385 8.284 0.101 18221
6339 1 12 . 1 1 107 107 LEU N N 98 117.756 117.756 127.549 -9.793 18221
6340 1 12 . 1 1 107 107 LEU C C 98 177.659 177.659 176.977 0.682 18221
6341 1 12 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.844 -0.741 18221
6342 1 12 . 1 1 107 107 LEU CB C 98 41.418 41.418 42.128 -0.710 18221
6343 1 12 . 1 1 107 107 LEU H H 98 7.880 7.880 8.321 -0.441 18221
6344 1 12 . 1 1 108 108 GLY N N 99 107.285 107.285 111.355 -4.070 18221
6345 1 12 . 1 1 108 108 GLY C C 99 173.815 173.815 173.068 0.747 18221
6346 1 12 . 1 1 108 108 GLY CA C 99 44.947 44.947 45.212 -0.265 18221
6347 1 12 . 1 1 108 108 GLY H H 99 7.694 7.694 8.383 -0.689 18221
6348 1 12 . 1 1 109 109 SER N N 100 117.139 117.139 116.230 0.909 18221
6349 1 12 . 1 1 109 109 SER C C 100 172.179 172.179 172.881 -0.702 18221
6350 1 12 . 1 1 109 109 SER CA C 100 56.015 56.015 56.091 -0.076 18221
6351 1 12 . 1 1 109 109 SER CB C 100 62.771 62.771 63.605 -0.834 18221
6352 1 12 . 1 1 109 109 SER H H 100 8.030 8.030 7.915 0.115 18221
6353 1 12 . 1 1 111 111 PRO C C 102 177.073 177.073 176.340 0.733 18221
6354 1 12 . 1 1 111 111 PRO CA C 102 62.199 62.199 62.520 -0.321 18221
6355 1 12 . 1 1 111 111 PRO CB C 102 31.211 31.211 32.531 -1.320 18221
6356 1 12 . 1 1 112 112 SER N N 103 117.115 117.115 117.374 -0.259 18221
6357 1 12 . 1 1 112 112 SER C C 103 173.898 173.898 174.351 -0.453 18221
6358 1 12 . 1 1 112 112 SER CA C 103 57.904 57.904 58.185 -0.281 18221
6359 1 12 . 1 1 112 112 SER CB C 103 63.360 63.360 63.999 -0.639 18221
6360 1 12 . 1 1 112 112 SER H H 103 8.345 8.345 8.346 -0.001 18221
6361 1 13 . 1 1 11 11 GLY N N 2 109.366 109.366 111.219 -1.853 18221
6362 1 13 . 1 1 11 11 GLY C C 2 174.543 174.543 173.467 1.076 18221
6363 1 13 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.845 -0.150 18221
6364 1 13 . 1 1 11 11 GLY H H 2 8.271 8.271 8.602 -0.331 18221
6365 1 13 . 1 1 12 12 LYS N N 3 121.129 121.129 121.174 -0.045 18221
6366 1 13 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.370 -0.238 18221
6367 1 13 . 1 1 12 12 LYS C C 3 177.234 177.234 175.195 2.039 18221
6368 1 13 . 1 1 12 12 LYS CA C 3 56.812 56.812 55.646 1.166 18221
6369 1 13 . 1 1 12 12 LYS CB C 3 31.846 31.846 34.302 -2.456 18221
6370 1 13 . 1 1 12 12 LYS H H 3 8.057 8.057 7.986 0.071 18221
6371 1 13 . 1 1 13 13 GLU N N 4 120.318 120.318 124.758 -4.440 18221
6372 1 13 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.520 -0.365 18221
6373 1 13 . 1 1 13 13 GLU C C 4 176.857 176.857 174.923 1.934 18221
6374 1 13 . 1 1 13 13 GLU CA C 4 56.871 56.871 56.854 0.017 18221
6375 1 13 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.114 -1.726 18221
6376 1 13 . 1 1 13 13 GLU H H 4 8.398 8.398 8.652 -0.254 18221
6377 1 13 . 1 1 14 14 SER N N 5 115.504 115.504 118.576 -3.072 18221
6378 1 13 . 1 1 14 14 SER HA H 5 3.843 3.843 4.652 -0.809 18221
6379 1 13 . 1 1 14 14 SER C C 5 175.337 175.337 174.578 0.759 18221
6380 1 13 . 1 1 14 14 SER CA C 5 58.524 58.524 57.786 0.738 18221
6381 1 13 . 1 1 14 14 SER CB C 5 63.360 63.360 64.063 -0.703 18221
6382 1 13 . 1 1 14 14 SER H H 5 8.089 8.089 8.158 -0.069 18221
6383 1 13 . 1 1 15 15 GLY N N 6 110.761 110.761 114.590 -3.829 18221
6384 1 13 . 1 1 15 15 GLY C C 6 174.581 174.581 173.855 0.726 18221
6385 1 13 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.886 -0.320 18221
6386 1 13 . 1 1 15 15 GLY H H 6 8.197 8.197 8.479 -0.282 18221
6387 1 13 . 1 1 16 16 TRP N N 7 121.800 121.800 124.694 -2.894 18221
6388 1 13 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.854 -0.294 18221
6389 1 13 . 1 1 16 16 TRP C C 7 176.920 176.920 175.075 1.845 18221
6390 1 13 . 1 1 16 16 TRP CA C 7 58.081 58.081 57.187 0.894 18221
6391 1 13 . 1 1 16 16 TRP CB C 7 28.679 28.679 29.301 -0.622 18221
6392 1 13 . 1 1 16 16 TRP H H 7 8.184 8.184 8.438 -0.254 18221
6393 1 13 . 1 1 17 17 ASP N N 8 121.132 121.132 122.442 -1.310 18221
6394 1 13 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.819 -0.424 18221
6395 1 13 . 1 1 17 17 ASP C C 8 176.941 176.941 175.680 1.261 18221
6396 1 13 . 1 1 17 17 ASP CA C 8 56.244 56.244 53.291 2.953 18221
6397 1 13 . 1 1 17 17 ASP CB C 8 39.945 39.945 43.044 -3.099 18221
6398 1 13 . 1 1 17 17 ASP H H 8 8.332 8.332 8.068 0.264 18221
6399 1 13 . 1 1 18 18 SER N N 9 116.148 116.148 115.922 0.226 18221
6400 1 13 . 1 1 18 18 SER HA H 9 3.861 3.861 4.474 -0.613 18221
6401 1 13 . 1 1 18 18 SER CA C 9 60.081 60.081 58.357 1.724 18221
6402 1 13 . 1 1 18 18 SER CB C 9 62.255 62.255 64.993 -2.738 18221
6403 1 13 . 1 1 18 18 SER H H 9 8.129 8.129 8.762 -0.633 18221
6404 1 13 . 1 1 19 19 GLY N N 10 110.747 110.747 109.747 1.000 18221
6405 1 13 . 1 1 19 19 GLY C C 10 174.682 174.682 174.795 -0.113 18221
6406 1 13 . 1 1 19 19 GLY CA C 10 46.600 46.600 44.627 1.974 18221
6407 1 13 . 1 1 19 19 GLY H H 10 8.216 8.216 7.907 0.309 18221
6408 1 13 . 1 1 20 20 ARG N N 11 121.405 121.405 124.133 -2.728 18221
6409 1 13 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.166 -0.309 18221
6410 1 13 . 1 1 20 20 ARG C C 11 178.328 178.328 178.311 0.017 18221
6411 1 13 . 1 1 20 20 ARG CA C 11 59.085 59.085 57.997 1.088 18221
6412 1 13 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.354 -1.307 18221
6413 1 13 . 1 1 20 20 ARG H H 11 8.158 8.158 8.688 -0.530 18221
6414 1 13 . 1 1 21 21 ALA N N 12 122.167 122.167 121.530 0.637 18221
6415 1 13 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.012 0.088 18221
6416 1 13 . 1 1 21 21 ALA C C 12 180.129 180.129 179.176 0.953 18221
6417 1 13 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.586 -0.194 18221
6418 1 13 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.934 -0.520 18221
6419 1 13 . 1 1 21 21 ALA H H 12 7.963 7.963 8.455 -0.492 18221
6420 1 13 . 1 1 22 22 ALA N N 13 122.150 122.150 121.181 0.969 18221
6421 1 13 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.849 0.188 18221
6422 1 13 . 1 1 22 22 ALA C C 13 179.095 179.095 179.521 -0.426 18221
6423 1 13 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.784 -0.068 18221
6424 1 13 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.031 -0.470 18221
6425 1 13 . 1 1 22 22 ALA H H 13 7.881 7.881 7.438 0.443 18221
6426 1 13 . 1 1 23 23 VAL N N 14 117.107 117.107 119.122 -2.015 18221
6427 1 13 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.532 -0.052 18221
6428 1 13 . 1 1 23 23 VAL C C 14 177.586 177.586 178.026 -0.440 18221
6429 1 13 . 1 1 23 23 VAL CA C 14 66.198 66.198 66.636 -0.438 18221
6430 1 13 . 1 1 23 23 VAL CB C 14 30.520 30.520 31.226 -0.706 18221
6431 1 13 . 1 1 23 23 VAL H H 14 7.888 7.888 8.105 -0.217 18221
6432 1 13 . 1 1 24 24 ALA N N 15 121.333 121.333 121.513 -0.180 18221
6433 1 13 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.938 0.043 18221
6434 1 13 . 1 1 24 24 ALA C C 15 180.373 180.373 179.396 0.977 18221
6435 1 13 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.157 -0.146 18221
6436 1 13 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.729 -0.477 18221
6437 1 13 . 1 1 24 24 ALA H H 15 8.037 8.037 7.756 0.281 18221
6438 1 13 . 1 1 25 25 ALA N N 16 121.158 121.158 119.042 2.116 18221
6439 1 13 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.105 0.041 18221
6440 1 13 . 1 1 25 25 ALA C C 16 179.828 179.828 178.978 0.850 18221
6441 1 13 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.547 -0.096 18221
6442 1 13 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.329 -0.842 18221
6443 1 13 . 1 1 25 25 ALA H H 16 7.819 7.819 7.917 -0.098 18221
6444 1 13 . 1 1 26 26 VAL N N 17 118.417 118.417 116.332 2.085 18221
6445 1 13 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.831 -0.053 18221
6446 1 13 . 1 1 26 26 VAL C C 17 178.020 178.020 177.188 0.832 18221
6447 1 13 . 1 1 26 26 VAL CA C 17 65.578 65.578 64.491 1.087 18221
6448 1 13 . 1 1 26 26 VAL CB C 17 31.085 31.085 32.213 -1.128 18221
6449 1 13 . 1 1 26 26 VAL H H 17 7.848 7.848 7.366 0.482 18221
6450 1 13 . 1 1 27 27 VAL N N 18 119.240 119.240 119.529 -0.289 18221
6451 1 13 . 1 1 27 27 VAL C C 18 177.719 177.719 176.558 1.161 18221
6452 1 13 . 1 1 27 27 VAL CA C 18 65.991 65.991 63.452 2.539 18221
6453 1 13 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.879 -2.692 18221
6454 1 13 . 1 1 27 27 VAL H H 18 8.377 8.377 7.645 0.732 18221
6455 1 13 . 1 1 28 28 GLY N N 19 106.009 106.009 108.271 -2.262 18221
6456 1 13 . 1 1 28 28 GLY C C 19 176.212 176.212 174.482 1.730 18221
6457 1 13 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.819 -0.575 18221
6458 1 13 . 1 1 28 28 GLY H H 19 8.122 8.122 8.170 -0.048 18221
6459 1 13 . 1 1 29 29 GLY N N 20 110.216 110.216 113.283 -3.067 18221
6460 1 13 . 1 1 29 29 GLY C C 20 174.097 174.097 174.801 -0.704 18221
6461 1 13 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.490 1.844 18221
6462 1 13 . 1 1 29 29 GLY H H 20 8.039 8.039 7.785 0.254 18221
6463 1 13 . 1 1 30 30 VAL N N 21 121.188 121.188 121.122 0.066 18221
6464 1 13 . 1 1 30 30 VAL C C 21 177.073 177.073 176.780 0.293 18221
6465 1 13 . 1 1 30 30 VAL CA C 21 62.574 62.574 66.329 -3.755 18221
6466 1 13 . 1 1 30 30 VAL CB C 21 30.790 30.790 32.190 -1.400 18221
6467 1 13 . 1 1 30 30 VAL H H 21 7.983 7.983 7.887 0.096 18221
6468 1 13 . 1 1 32 32 ALA N N 23 125.091 125.091 121.670 3.421 18221
6469 1 13 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.028 0.232 18221
6470 1 13 . 1 1 32 32 ALA C C 23 179.523 179.523 179.606 -0.083 18221
6471 1 13 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.120 -1.437 18221
6472 1 13 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.035 -1.652 18221
6473 1 13 . 1 1 32 32 ALA H H 23 8.036 8.036 7.996 0.040 18221
6474 1 13 . 1 1 33 33 VAL N N 24 118.793 118.793 117.853 0.940 18221
6475 1 13 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.772 -0.064 18221
6476 1 13 . 1 1 33 33 VAL C C 24 177.901 177.901 178.347 -0.446 18221
6477 1 13 . 1 1 33 33 VAL CA C 24 65.430 65.430 64.812 0.618 18221
6478 1 13 . 1 1 33 33 VAL CB C 24 31.318 31.318 30.803 0.515 18221
6479 1 13 . 1 1 33 33 VAL H H 24 8.195 8.195 8.093 0.102 18221
6480 1 13 . 1 1 34 34 GLY N N 25 108.367 108.367 108.949 -0.582 18221
6481 1 13 . 1 1 34 34 GLY C C 25 175.424 175.424 175.905 -0.481 18221
6482 1 13 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.767 -0.432 18221
6483 1 13 . 1 1 34 34 GLY H H 25 8.651 8.651 8.343 0.308 18221
6484 1 13 . 1 1 35 35 THR N N 26 116.448 116.448 119.916 -3.468 18221
6485 1 13 . 1 1 35 35 THR C C 26 176.843 176.843 176.688 0.155 18221
6486 1 13 . 1 1 35 35 THR CA C 26 65.962 65.962 67.914 -1.952 18221
6487 1 13 . 1 1 35 35 THR CB C 26 68.414 68.414 68.838 -0.424 18221
6488 1 13 . 1 1 35 35 THR H H 26 7.975 7.975 8.066 -0.091 18221
6489 1 13 . 1 1 36 36 VAL N N 27 122.810 122.810 121.507 1.303 18221
6490 1 13 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.559 0.160 18221
6491 1 13 . 1 1 36 36 VAL C C 27 177.618 177.618 177.334 0.284 18221
6492 1 13 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.890 -1.164 18221
6493 1 13 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.742 -1.075 18221
6494 1 13 . 1 1 36 36 VAL H H 27 7.559 7.559 8.031 -0.472 18221
6495 1 13 . 1 1 37 37 LEU N N 28 119.566 119.566 120.580 -1.014 18221
6496 1 13 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.963 -0.010 18221
6497 1 13 . 1 1 37 37 LEU C C 28 179.666 179.666 178.202 1.464 18221
6498 1 13 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.282 -0.437 18221
6499 1 13 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.643 -1.477 18221
6500 1 13 . 1 1 37 37 LEU H H 28 8.086 8.086 7.819 0.267 18221
6501 1 13 . 1 1 38 38 VAL N N 29 119.468 119.468 119.379 0.089 18221
6502 1 13 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.450 0.203 18221
6503 1 13 . 1 1 38 38 VAL C C 29 178.639 178.639 177.927 0.712 18221
6504 1 13 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.619 -1.146 18221
6505 1 13 . 1 1 38 38 VAL CB C 29 30.609 30.609 30.984 -0.375 18221
6506 1 13 . 1 1 38 38 VAL H H 29 8.066 8.066 8.377 -0.311 18221
6507 1 13 . 1 1 39 39 ALA N N 30 124.255 124.255 121.030 3.225 18221
6508 1 13 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.406 -0.241 18221
6509 1 13 . 1 1 39 39 ALA C C 30 180.303 180.303 180.312 -0.009 18221
6510 1 13 . 1 1 39 39 ALA CA C 30 54.834 54.834 54.515 0.319 18221
6511 1 13 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.811 -1.103 18221
6512 1 13 . 1 1 39 39 ALA H H 30 7.688 7.688 7.913 -0.225 18221
6513 1 13 . 1 1 40 40 LEU N N 31 118.268 118.268 119.648 -1.380 18221
6514 1 13 . 1 1 40 40 LEU HA H 31 4.141 4.141 3.920 0.221 18221
6515 1 13 . 1 1 40 40 LEU C C 31 179.271 179.271 178.953 0.318 18221
6516 1 13 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.856 -0.778 18221
6517 1 13 . 1 1 40 40 LEU CB C 31 40.902 40.902 40.933 -0.031 18221
6518 1 13 . 1 1 40 40 LEU H H 31 8.326 8.326 8.421 -0.095 18221
6519 1 13 . 1 1 41 41 SER N N 32 114.984 114.984 114.608 0.376 18221
6520 1 13 . 1 1 41 41 SER HA H 32 3.952 3.952 4.296 -0.344 18221
6521 1 13 . 1 1 41 41 SER C C 32 176.284 176.284 175.239 1.045 18221
6522 1 13 . 1 1 41 41 SER CA C 32 60.885 60.885 60.923 -0.038 18221
6523 1 13 . 1 1 41 41 SER CB C 32 62.410 62.410 63.726 -1.316 18221
6524 1 13 . 1 1 41 41 SER H H 32 8.062 8.062 8.285 -0.223 18221
6525 1 13 . 1 1 42 42 ALA N N 33 124.588 124.588 124.391 0.197 18221
6526 1 13 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.516 -0.291 18221
6527 1 13 . 1 1 42 42 ALA C C 33 179.033 179.033 177.444 1.589 18221
6528 1 13 . 1 1 42 42 ALA CA C 33 53.713 53.713 51.252 2.461 18221
6529 1 13 . 1 1 42 42 ALA CB C 33 17.929 17.929 17.938 -0.009 18221
6530 1 13 . 1 1 42 42 ALA H H 33 7.813 7.813 8.112 -0.299 18221
6531 1 13 . 1 1 43 43 MET N N 34 116.808 116.808 122.302 -5.494 18221
6532 1 13 . 1 1 43 43 MET HA H 34 4.285 4.285 4.389 -0.104 18221
6533 1 13 . 1 1 43 43 MET C C 34 176.807 176.807 176.997 -0.190 18221
6534 1 13 . 1 1 43 43 MET CA C 34 56.576 56.576 57.893 -1.317 18221
6535 1 13 . 1 1 43 43 MET CB C 34 32.435 32.435 32.919 -0.484 18221
6536 1 13 . 1 1 43 43 MET H H 34 7.691 7.691 7.991 -0.300 18221
6537 1 13 . 1 1 44 44 GLY N N 35 107.020 107.020 105.341 1.679 18221
6538 1 13 . 1 1 44 44 GLY C C 35 174.493 174.493 173.089 1.404 18221
6539 1 13 . 1 1 44 44 GLY CA C 35 45.065 45.065 44.609 0.456 18221
6540 1 13 . 1 1 44 44 GLY H H 35 7.793 7.793 8.047 -0.254 18221
6541 1 13 . 1 1 45 45 PHE N N 36 120.285 120.285 118.676 1.609 18221
6542 1 13 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.735 -0.228 18221
6543 1 13 . 1 1 45 45 PHE C C 36 176.876 176.876 174.743 2.133 18221
6544 1 13 . 1 1 45 45 PHE CA C 36 58.937 58.937 56.847 2.090 18221
6545 1 13 . 1 1 45 45 PHE CB C 36 38.178 38.178 41.602 -3.424 18221
6546 1 13 . 1 1 45 45 PHE H H 36 8.215 8.215 7.843 0.372 18221
6547 1 13 . 1 1 46 46 THR N N 37 114.008 114.008 117.743 -3.735 18221
6548 1 13 . 1 1 46 46 THR HA H 37 4.080 4.080 4.308 -0.228 18221
6549 1 13 . 1 1 46 46 THR C C 37 175.751 175.751 174.279 1.472 18221
6550 1 13 . 1 1 46 46 THR CA C 37 64.220 64.220 63.363 0.857 18221
6551 1 13 . 1 1 46 46 THR CB C 37 68.514 68.514 69.457 -0.942 18221
6552 1 13 . 1 1 46 46 THR H H 37 8.111 8.111 8.366 -0.255 18221
6553 1 13 . 1 1 47 47 SER N N 38 116.646 116.646 120.431 -3.785 18221
6554 1 13 . 1 1 47 47 SER HA H 38 3.918 3.918 4.592 -0.674 18221
6555 1 13 . 1 1 47 47 SER C C 38 176.744 176.744 175.742 1.002 18221
6556 1 13 . 1 1 47 47 SER CA C 38 59.911 59.911 59.269 0.642 18221
6557 1 13 . 1 1 47 47 SER CB C 38 62.624 62.624 63.409 -0.785 18221
6558 1 13 . 1 1 47 47 SER H H 38 8.079 8.079 8.575 -0.496 18221
6559 1 13 . 1 1 48 48 VAL N N 39 121.929 121.929 123.991 -2.062 18221
6560 1 13 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.773 0.136 18221
6561 1 13 . 1 1 48 48 VAL C C 39 177.033 177.033 178.049 -1.016 18221
6562 1 13 . 1 1 48 48 VAL CA C 39 64.988 64.988 65.911 -0.923 18221
6563 1 13 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.165 -0.497 18221
6564 1 13 . 1 1 48 48 VAL H H 39 7.985 7.985 8.094 -0.109 18221
6565 1 13 . 1 1 49 49 GLY N N 40 108.633 108.633 108.227 0.406 18221
6566 1 13 . 1 1 49 49 GLY C C 40 176.038 176.038 176.519 -0.481 18221
6567 1 13 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.805 -0.940 18221
6568 1 13 . 1 1 49 49 GLY H H 40 8.267 8.267 8.463 -0.196 18221
6569 1 13 . 1 1 50 50 ILE N N 41 122.466 122.466 123.045 -0.579 18221
6570 1 13 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.746 0.125 18221
6571 1 13 . 1 1 50 50 ILE C C 41 178.363 178.363 178.293 0.070 18221
6572 1 13 . 1 1 50 50 ILE CA C 41 63.515 63.515 63.414 0.101 18221
6573 1 13 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.093 0.145 18221
6574 1 13 . 1 1 50 50 ILE H H 41 7.865 7.865 7.978 -0.113 18221
6575 1 13 . 1 1 51 51 ALA N N 42 125.064 125.064 121.443 3.621 18221
6576 1 13 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.976 0.123 18221
6577 1 13 . 1 1 51 51 ALA C C 42 179.385 179.385 179.572 -0.187 18221
6578 1 13 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.187 -0.707 18221
6579 1 13 . 1 1 51 51 ALA CB C 42 17.487 17.487 18.021 -0.534 18221
6580 1 13 . 1 1 51 51 ALA H H 42 7.930 7.930 8.275 -0.345 18221
6581 1 13 . 1 1 52 52 ALA N N 43 120.594 120.594 120.740 -0.146 18221
6582 1 13 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.064 -0.127 18221
6583 1 13 . 1 1 52 52 ALA C C 43 179.088 179.088 179.819 -0.731 18221
6584 1 13 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.820 0.280 18221
6585 1 13 . 1 1 52 52 ALA CB C 43 17.635 17.635 17.955 -0.320 18221
6586 1 13 . 1 1 52 52 ALA H H 43 8.639 8.639 8.138 0.501 18221
6587 1 13 . 1 1 53 53 SER N N 44 113.012 113.012 115.208 -2.196 18221
6588 1 13 . 1 1 53 53 SER HA H 44 3.966 3.966 4.190 -0.224 18221
6589 1 13 . 1 1 53 53 SER C C 44 176.898 176.898 176.809 0.089 18221
6590 1 13 . 1 1 53 53 SER CA C 44 61.139 61.139 61.882 -0.743 18221
6591 1 13 . 1 1 53 53 SER CB C 44 62.347 62.347 62.969 -0.622 18221
6592 1 13 . 1 1 53 53 SER H H 44 8.193 8.193 8.231 -0.038 18221
6593 1 13 . 1 1 54 54 SER N N 45 118.714 118.714 118.766 -0.052 18221
6594 1 13 . 1 1 54 54 SER HA H 45 3.975 3.975 4.155 -0.180 18221
6595 1 13 . 1 1 54 54 SER C C 45 177.131 177.131 176.732 0.399 18221
6596 1 13 . 1 1 54 54 SER CA C 45 61.210 61.210 62.071 -0.861 18221
6597 1 13 . 1 1 54 54 SER CB C 45 62.255 62.255 63.105 -0.850 18221
6598 1 13 . 1 1 54 54 SER H H 45 7.944 7.944 8.048 -0.104 18221
6599 1 13 . 1 1 55 55 ILE N N 46 122.912 122.912 121.369 1.543 18221
6600 1 13 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.623 0.134 18221
6601 1 13 . 1 1 55 55 ILE C C 46 177.813 177.813 176.982 0.831 18221
6602 1 13 . 1 1 55 55 ILE CA C 46 64.191 64.191 65.006 -0.815 18221
6603 1 13 . 1 1 55 55 ILE CB C 46 36.926 36.926 38.108 -1.182 18221
6604 1 13 . 1 1 55 55 ILE H H 46 8.028 8.028 8.198 -0.170 18221
6605 1 13 . 1 1 56 56 ALA N N 47 122.990 122.990 120.190 2.800 18221
6606 1 13 . 1 1 56 56 ALA HA H 47 3.956 3.956 3.969 -0.013 18221
6607 1 13 . 1 1 56 56 ALA C C 47 180.294 180.294 179.742 0.552 18221
6608 1 13 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.696 -0.358 18221
6609 1 13 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.600 -0.898 18221
6610 1 13 . 1 1 56 56 ALA H H 47 8.333 8.333 7.610 0.723 18221
6611 1 13 . 1 1 57 57 ALA N N 48 121.988 121.988 119.999 1.989 18221
6612 1 13 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.017 0.051 18221
6613 1 13 . 1 1 57 57 ALA CA C 48 54.421 54.421 54.600 -0.179 18221
6614 1 13 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.073 -1.371 18221
6615 1 13 . 1 1 57 57 ALA H H 48 7.879 7.879 8.071 -0.192 18221
6616 1 13 . 1 1 58 58 LYS N N 49 119.094 119.094 113.740 5.354 18221
6617 1 13 . 1 1 58 58 LYS HA H 49 4.146 4.146 4.326 -0.180 18221
6618 1 13 . 1 1 58 58 LYS C C 49 179.649 179.649 177.934 1.715 18221
6619 1 13 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.930 0.227 18221
6620 1 13 . 1 1 58 58 LYS CB C 49 31.330 31.330 34.309 -2.979 18221
6621 1 13 . 1 1 58 58 LYS H H 49 7.727 7.727 8.225 -0.498 18221
6622 1 13 . 1 1 59 59 MET N N 50 120.498 120.498 115.375 5.123 18221
6623 1 13 . 1 1 59 59 MET HA H 50 4.156 4.156 3.980 0.176 18221
6624 1 13 . 1 1 59 59 MET C C 50 177.949 177.949 176.409 1.540 18221
6625 1 13 . 1 1 59 59 MET CA C 50 57.136 57.136 58.464 -1.328 18221
6626 1 13 . 1 1 59 59 MET CB C 50 31.922 31.922 31.146 0.776 18221
6627 1 13 . 1 1 59 59 MET H H 50 8.395 8.395 8.533 -0.138 18221
6628 1 13 . 1 1 60 60 MET N N 51 117.689 117.689 117.989 -0.300 18221
6629 1 13 . 1 1 60 60 MET HA H 51 4.222 4.222 4.291 -0.069 18221
6630 1 13 . 1 1 60 60 MET C C 51 177.674 177.674 175.953 1.721 18221
6631 1 13 . 1 1 60 60 MET CA C 51 57.638 57.638 57.378 0.260 18221
6632 1 13 . 1 1 60 60 MET CB C 51 31.785 31.785 33.328 -1.543 18221
6633 1 13 . 1 1 60 60 MET H H 51 8.234 8.234 7.867 0.367 18221
6634 1 13 . 1 1 61 61 SER N N 52 114.385 114.385 113.719 0.666 18221
6635 1 13 . 1 1 61 61 SER HA H 52 4.001 4.001 4.303 -0.302 18221
6636 1 13 . 1 1 61 61 SER C C 52 176.079 176.079 174.511 1.568 18221
6637 1 13 . 1 1 61 61 SER CA C 52 59.911 59.911 58.393 1.518 18221
6638 1 13 . 1 1 61 61 SER CB C 52 62.624 62.624 63.299 -0.675 18221
6639 1 13 . 1 1 61 61 SER H H 52 7.893 7.893 7.886 0.007 18221
6640 1 13 . 1 1 62 62 THR N N 53 117.304 117.304 115.754 1.550 18221
6641 1 13 . 1 1 62 62 THR HA H 53 4.104 4.104 4.090 0.014 18221
6642 1 13 . 1 1 62 62 THR C C 53 175.436 175.436 174.990 0.446 18221
6643 1 13 . 1 1 62 62 THR CA C 53 64.220 64.220 62.568 1.653 18221
6644 1 13 . 1 1 62 62 THR CB C 53 68.514 68.514 68.790 -0.276 18221
6645 1 13 . 1 1 62 62 THR H H 53 7.794 7.794 7.994 -0.200 18221
6646 1 13 . 1 1 63 63 ALA N N 54 125.382 125.382 127.728 -2.346 18221
6647 1 13 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.298 -0.204 18221
6648 1 13 . 1 1 63 63 ALA C C 54 178.328 178.328 177.453 0.875 18221
6649 1 13 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.386 1.710 18221
6650 1 13 . 1 1 63 63 ALA CB C 54 17.708 17.708 19.550 -1.842 18221
6651 1 13 . 1 1 63 63 ALA H H 54 8.204 8.204 7.720 0.484 18221
6652 1 13 . 1 1 64 64 ALA N N 55 119.929 119.929 123.450 -3.521 18221
6653 1 13 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.246 -0.121 18221
6654 1 13 . 1 1 64 64 ALA C C 55 179.183 179.183 176.981 2.202 18221
6655 1 13 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.423 1.614 18221
6656 1 13 . 1 1 64 64 ALA CB C 55 17.708 17.708 17.477 0.231 18221
6657 1 13 . 1 1 64 64 ALA H H 55 7.951 7.951 8.430 -0.479 18221
6658 1 13 . 1 1 65 65 ILE N N 56 117.016 117.016 120.413 -3.397 18221
6659 1 13 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.397 -0.447 18221
6660 1 13 . 1 1 65 65 ILE C C 56 177.222 177.222 175.759 1.463 18221
6661 1 13 . 1 1 65 65 ILE CA C 56 62.184 62.184 61.197 0.987 18221
6662 1 13 . 1 1 65 65 ILE CB C 56 37.073 37.073 39.143 -2.070 18221
6663 1 13 . 1 1 65 65 ILE H H 56 7.561 7.561 8.380 -0.819 18221
6664 1 13 . 1 1 66 66 ALA N N 57 124.191 124.191 124.326 -0.135 18221
6665 1 13 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.007 0.170 18221
6666 1 13 . 1 1 66 66 ALA C C 57 178.190 178.190 176.055 2.135 18221
6667 1 13 . 1 1 66 66 ALA CA C 57 53.536 53.536 51.718 1.817 18221
6668 1 13 . 1 1 66 66 ALA CB C 57 17.929 17.929 18.455 -0.526 18221
6669 1 13 . 1 1 66 66 ALA H H 57 7.982 7.982 8.132 -0.150 18221
6670 1 13 . 1 1 67 67 ASN N N 58 116.132 116.132 119.958 -3.826 18221
6671 1 13 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.415 0.258 18221
6672 1 13 . 1 1 67 67 ASN C C 58 176.344 176.344 175.012 1.332 18221
6673 1 13 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.483 -0.006 18221
6674 1 13 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.823 -0.351 18221
6675 1 13 . 1 1 67 67 ASN H H 58 8.113 8.113 8.503 -0.390 18221
6676 1 13 . 1 1 68 68 GLY N N 59 108.808 108.808 110.641 -1.833 18221
6677 1 13 . 1 1 68 68 GLY C C 59 174.958 174.958 173.396 1.562 18221
6678 1 13 . 1 1 68 68 GLY CA C 59 45.655 45.655 45.042 0.613 18221
6679 1 13 . 1 1 68 68 GLY H H 59 8.152 8.152 8.487 -0.335 18221
6680 1 13 . 1 1 69 69 GLY N N 60 108.832 108.832 107.001 1.831 18221
6681 1 13 . 1 1 69 69 GLY C C 60 174.631 174.631 174.009 0.622 18221
6682 1 13 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.579 0.840 18221
6683 1 13 . 1 1 69 69 GLY H H 60 8.218 8.218 8.170 0.048 18221
6684 1 13 . 1 1 70 70 GLY N N 61 108.966 108.966 110.229 -1.263 18221
6685 1 13 . 1 1 70 70 GLY C C 61 174.594 174.594 174.102 0.492 18221
6686 1 13 . 1 1 70 70 GLY CA C 61 45.360 45.360 45.123 0.236 18221
6687 1 13 . 1 1 70 70 GLY H H 61 8.175 8.175 7.774 0.401 18221
6688 1 13 . 1 1 71 71 VAL N N 62 120.209 120.209 119.541 0.668 18221
6689 1 13 . 1 1 71 71 VAL HA H 62 4.006 4.006 4.119 -0.113 18221
6690 1 13 . 1 1 71 71 VAL C C 62 176.077 176.077 175.926 0.151 18221
6691 1 13 . 1 1 71 71 VAL CA C 62 62.390 62.390 63.065 -0.675 18221
6692 1 13 . 1 1 71 71 VAL CB C 62 31.698 31.698 31.942 -0.244 18221
6693 1 13 . 1 1 71 71 VAL H H 62 7.882 7.882 8.177 -0.295 18221
6694 1 13 . 1 1 72 72 ALA N N 63 126.966 126.966 123.446 3.520 18221
6695 1 13 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.610 -0.584 18221
6696 1 13 . 1 1 72 72 ALA C C 63 178.064 178.064 175.890 2.174 18221
6697 1 13 . 1 1 72 72 ALA CA C 63 52.503 52.503 51.872 0.631 18221
6698 1 13 . 1 1 72 72 ALA CB C 63 18.225 18.225 18.831 -0.606 18221
6699 1 13 . 1 1 72 72 ALA H H 63 8.237 8.237 7.863 0.374 18221
6700 1 13 . 1 1 73 73 ALA N N 64 123.432 123.432 123.344 0.088 18221
6701 1 13 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.609 -0.594 18221
6702 1 13 . 1 1 73 73 ALA C C 64 178.995 178.995 176.487 2.508 18221
6703 1 13 . 1 1 73 73 ALA CA C 64 54.421 54.421 51.970 2.451 18221
6704 1 13 . 1 1 73 73 ALA CB C 64 18.003 18.003 20.847 -2.844 18221
6705 1 13 . 1 1 73 73 ALA H H 64 8.421 8.421 7.632 0.789 18221
6706 1 13 . 1 1 74 74 GLY N N 65 105.577 105.577 107.908 -2.331 18221
6707 1 13 . 1 1 74 74 GLY C C 65 176.367 176.367 175.175 1.192 18221
6708 1 13 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.573 1.671 18221
6709 1 13 . 1 1 74 74 GLY H H 65 8.448 8.448 8.040 0.408 18221
6710 1 13 . 1 1 75 75 SER N N 66 117.656 117.656 116.951 0.705 18221
6711 1 13 . 1 1 75 75 SER HA H 66 4.394 4.394 4.173 0.221 18221
6712 1 13 . 1 1 75 75 SER C C 66 176.329 176.329 176.468 -0.139 18221
6713 1 13 . 1 1 75 75 SER CA C 66 60.236 60.236 61.301 -1.065 18221
6714 1 13 . 1 1 75 75 SER CB C 66 62.476 62.476 63.153 -0.677 18221
6715 1 13 . 1 1 75 75 SER H H 66 7.899 7.899 8.485 -0.586 18221
6716 1 13 . 1 1 76 76 LEU N N 67 122.743 122.743 121.928 0.815 18221
6717 1 13 . 1 1 76 76 LEU HA H 67 4.050 4.050 4.068 -0.018 18221
6718 1 13 . 1 1 76 76 LEU C C 67 178.442 178.442 178.927 -0.485 18221
6719 1 13 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.353 0.167 18221
6720 1 13 . 1 1 76 76 LEU CB C 67 40.681 40.681 40.838 -0.157 18221
6721 1 13 . 1 1 76 76 LEU H H 67 7.955 7.955 8.018 -0.063 18221
6722 1 13 . 1 1 77 77 VAL N N 68 118.400 118.400 118.764 -0.364 18221
6723 1 13 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.515 -0.044 18221
6724 1 13 . 1 1 77 77 VAL C C 68 177.297 177.297 177.143 0.154 18221
6725 1 13 . 1 1 77 77 VAL CA C 68 66.670 66.670 65.754 0.916 18221
6726 1 13 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.395 -0.875 18221
6727 1 13 . 1 1 77 77 VAL H H 68 8.039 8.039 8.064 -0.025 18221
6728 1 13 . 1 1 78 78 ALA N N 69 121.927 121.927 122.368 -0.441 18221
6729 1 13 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.039 0.166 18221
6730 1 13 . 1 1 78 78 ALA C C 69 181.258 181.258 179.166 2.092 18221
6731 1 13 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.421 -0.439 18221
6732 1 13 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.180 -0.766 18221
6733 1 13 . 1 1 78 78 ALA H H 69 7.631 7.631 7.861 -0.230 18221
6734 1 13 . 1 1 79 79 ILE N N 70 119.782 119.782 116.985 2.797 18221
6735 1 13 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.927 -0.131 18221
6736 1 13 . 1 1 79 79 ILE C C 70 178.253 178.253 177.573 0.680 18221
6737 1 13 . 1 1 79 79 ILE CA C 70 64.352 64.352 63.069 1.283 18221
6738 1 13 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.591 -0.518 18221
6739 1 13 . 1 1 79 79 ILE H H 70 7.841 7.841 7.727 0.114 18221
6740 1 13 . 1 1 80 80 LEU N N 71 120.841 120.841 122.457 -1.616 18221
6741 1 13 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.849 0.088 18221
6742 1 13 . 1 1 80 80 LEU C C 71 179.234 179.234 178.855 0.379 18221
6743 1 13 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.618 -0.773 18221
6744 1 13 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.885 -1.866 18221
6745 1 13 . 1 1 80 80 LEU H H 71 8.190 8.190 8.459 -0.269 18221
6746 1 13 . 1 1 81 81 GLN N N 72 117.558 117.558 117.227 0.331 18221
6747 1 13 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.981 -0.012 18221
6748 1 13 . 1 1 81 81 GLN C C 72 178.530 178.530 178.566 -0.036 18221
6749 1 13 . 1 1 81 81 GLN CA C 72 58.819 58.819 58.785 0.034 18221
6750 1 13 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.126 -0.846 18221
6751 1 13 . 1 1 81 81 GLN H H 72 8.489 8.489 8.628 -0.139 18221
6752 1 13 . 1 1 82 82 SER N N 73 116.103 116.103 116.798 -0.695 18221
6753 1 13 . 1 1 82 82 SER HA H 73 4.233 4.233 4.141 0.092 18221
6754 1 13 . 1 1 82 82 SER C C 73 177.243 177.243 176.378 0.865 18221
6755 1 13 . 1 1 82 82 SER CA C 73 61.044 61.044 62.331 -1.286 18221
6756 1 13 . 1 1 82 82 SER CB C 73 62.257 62.257 63.174 -0.917 18221
6757 1 13 . 1 1 82 82 SER H H 73 7.855 7.855 8.132 -0.277 18221
6758 1 13 . 1 1 83 83 VAL N N 74 120.362 120.362 121.404 -1.042 18221
6759 1 13 . 1 1 83 83 VAL C C 74 177.979 177.979 177.593 0.386 18221
6760 1 13 . 1 1 83 83 VAL CA C 74 65.106 65.106 66.217 -1.111 18221
6761 1 13 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.349 -0.608 18221
6762 1 13 . 1 1 83 83 VAL H H 74 8.030 8.030 8.111 -0.081 18221
6763 1 13 . 1 1 84 84 GLY N N 75 108.223 108.223 107.299 0.924 18221
6764 1 13 . 1 1 84 84 GLY C C 75 174.913 174.913 175.472 -0.559 18221
6765 1 13 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.156 -0.379 18221
6766 1 13 . 1 1 84 84 GLY H H 75 8.369 8.369 7.981 0.388 18221
6767 1 13 . 1 1 85 85 ALA N N 76 123.550 123.550 124.297 -0.747 18221
6768 1 13 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.197 -0.103 18221
6769 1 13 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.800 -0.202 18221
6770 1 13 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.387 -0.764 18221
6771 1 13 . 1 1 85 85 ALA H H 76 8.115 8.115 8.070 0.045 18221
6772 1 13 . 1 1 86 86 ALA N N 77 120.410 120.410 120.735 -0.325 18221
6773 1 13 . 1 1 86 86 ALA C C 77 178.988 178.988 179.532 -0.544 18221
6774 1 13 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.361 -0.525 18221
6775 1 13 . 1 1 86 86 ALA CB C 77 17.510 17.510 18.146 -0.636 18221
6776 1 13 . 1 1 86 86 ALA H H 77 8.632 8.632 8.609 0.023 18221
6777 1 13 . 1 1 87 87 GLY N N 78 105.706 105.706 107.435 -1.729 18221
6778 1 13 . 1 1 87 87 GLY C C 78 175.939 175.939 176.001 -0.062 18221
6779 1 13 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.853 -0.735 18221
6780 1 13 . 1 1 87 87 GLY H H 78 8.196 8.196 7.925 0.271 18221
6781 1 13 . 1 1 88 88 LEU N N 79 124.128 124.128 122.402 1.726 18221
6782 1 13 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.422 -0.020 18221
6783 1 13 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.064 -0.677 18221
6784 1 13 . 1 1 88 88 LEU H H 79 8.449 8.449 8.153 0.296 18221
6785 1 13 . 1 1 89 89 SER N N 80 116.251 116.251 115.340 0.911 18221
6786 1 13 . 1 1 89 89 SER C C 80 179.153 179.153 176.526 2.627 18221
6787 1 13 . 1 1 89 89 SER CA C 80 61.023 61.023 62.346 -1.323 18221
6788 1 13 . 1 1 89 89 SER CB C 80 62.255 62.255 63.131 -0.876 18221
6789 1 13 . 1 1 89 89 SER H H 80 8.120 8.120 8.313 -0.193 18221
6790 1 13 . 1 1 90 90 VAL N N 81 119.310 119.310 122.099 -2.789 18221
6791 1 13 . 1 1 90 90 VAL C C 81 177.652 177.652 178.403 -0.751 18221
6792 1 13 . 1 1 90 90 VAL CA C 81 65.076 65.076 66.359 -1.283 18221
6793 1 13 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.534 -0.204 18221
6794 1 13 . 1 1 90 90 VAL H H 81 7.955 7.955 8.218 -0.263 18221
6795 1 13 . 1 1 91 91 THR N N 82 115.535 115.535 116.275 -0.740 18221
6796 1 13 . 1 1 91 91 THR C C 82 176.571 176.571 176.792 -0.221 18221
6797 1 13 . 1 1 91 91 THR CA C 82 66.434 66.434 66.014 0.420 18221
6798 1 13 . 1 1 91 91 THR CB C 82 67.742 67.742 68.251 -0.509 18221
6799 1 13 . 1 1 91 91 THR H H 82 7.888 7.888 8.470 -0.582 18221
6800 1 13 . 1 1 92 92 SER N N 83 116.537 116.537 117.877 -1.340 18221
6801 1 13 . 1 1 92 92 SER HA H 83 4.040 4.040 3.981 0.059 18221
6802 1 13 . 1 1 92 92 SER C C 83 176.761 176.761 176.465 0.296 18221
6803 1 13 . 1 1 92 92 SER CA C 83 61.564 61.564 62.361 -0.797 18221
6804 1 13 . 1 1 92 92 SER CB C 83 62.009 62.009 62.892 -0.883 18221
6805 1 13 . 1 1 92 92 SER H H 83 8.212 8.212 8.216 -0.004 18221
6806 1 13 . 1 1 93 93 LYS N N 84 122.353 122.353 121.233 1.120 18221
6807 1 13 . 1 1 93 93 LYS HA H 84 4.119 4.119 4.047 0.072 18221
6808 1 13 . 1 1 93 93 LYS C C 84 172.812 172.812 179.257 -6.445 18221
6809 1 13 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.293 -0.858 18221
6810 1 13 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.388 -0.911 18221
6811 1 13 . 1 1 93 93 LYS H H 84 7.642 7.642 8.315 -0.673 18221
6812 1 13 . 1 1 94 94 VAL N N 85 119.348 119.348 118.510 0.838 18221
6813 1 13 . 1 1 94 94 VAL C C 85 177.948 177.948 177.272 0.676 18221
6814 1 13 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.755 -0.366 18221
6815 1 13 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.841 0.005 18221
6816 1 13 . 1 1 94 94 VAL H H 85 8.414 8.414 7.646 0.768 18221
6817 1 13 . 1 1 95 95 ILE N N 86 118.769 118.769 117.118 1.651 18221
6818 1 13 . 1 1 95 95 ILE C C 86 177.972 177.972 175.825 2.147 18221
6819 1 13 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.631 0.206 18221
6820 1 13 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.972 -2.340 18221
6821 1 13 . 1 1 95 95 ILE H H 86 8.169 8.169 7.581 0.588 18221
6822 1 13 . 1 1 96 96 GLY N N 87 107.955 107.955 103.773 4.182 18221
6823 1 13 . 1 1 96 96 GLY C C 87 176.571 176.571 173.856 2.715 18221
6824 1 13 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.436 2.075 18221
6825 1 13 . 1 1 96 96 GLY H H 87 8.182 8.182 8.171 0.011 18221
6826 1 13 . 1 1 97 97 GLY N N 88 109.117 109.117 112.106 -2.989 18221
6827 1 13 . 1 1 97 97 GLY C C 88 175.524 175.524 174.159 1.365 18221
6828 1 13 . 1 1 97 97 GLY CA C 88 45.832 45.832 44.985 0.847 18221
6829 1 13 . 1 1 97 97 GLY H H 88 7.953 7.953 9.129 -1.176 18221
6830 1 13 . 1 1 98 98 PHE N N 89 121.100 121.100 118.147 2.953 18221
6831 1 13 . 1 1 98 98 PHE C C 89 176.367 176.367 174.403 1.964 18221
6832 1 13 . 1 1 98 98 PHE CA C 89 56.900 56.900 56.877 0.023 18221
6833 1 13 . 1 1 98 98 PHE CB C 89 38.832 38.832 37.340 1.492 18221
6834 1 13 . 1 1 98 98 PHE H H 89 8.000 8.000 7.811 0.189 18221
6835 1 13 . 1 1 99 99 ALA N N 90 122.834 122.834 122.148 0.686 18221
6836 1 13 . 1 1 99 99 ALA C C 90 178.348 178.348 175.585 2.763 18221
6837 1 13 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.221 3.056 18221
6838 1 13 . 1 1 99 99 ALA CB C 90 17.414 17.414 18.691 -1.276 18221
6839 1 13 . 1 1 99 99 ALA H H 90 8.322 8.322 8.208 0.114 18221
6840 1 13 . 1 1 100 100 GLY N N 91 106.688 106.688 104.627 2.061 18221
6841 1 13 . 1 1 100 100 GLY C C 91 175.878 175.878 173.839 2.039 18221
6842 1 13 . 1 1 100 100 GLY CA C 91 45.626 45.626 44.365 1.261 18221
6843 1 13 . 1 1 100 100 GLY H H 91 8.000 8.000 7.815 0.185 18221
6844 1 13 . 1 1 101 101 THR N N 92 115.689 115.689 119.474 -3.785 18221
6845 1 13 . 1 1 101 101 THR C C 92 178.476 178.476 174.294 4.182 18221
6846 1 13 . 1 1 101 101 THR CA C 92 63.364 63.364 61.678 1.686 18221
6847 1 13 . 1 1 101 101 THR CB C 92 69.619 69.619 68.058 1.561 18221
6848 1 13 . 1 1 101 101 THR H H 92 7.754 7.754 8.434 -0.680 18221
6849 1 13 . 1 1 102 102 ALA N N 93 124.835 124.835 126.819 -1.984 18221
6850 1 13 . 1 1 102 102 ALA CA C 93 54.311 54.311 51.425 2.886 18221
6851 1 13 . 1 1 102 102 ALA CB C 93 17.679 17.679 17.990 -0.311 18221
6852 1 13 . 1 1 102 102 ALA H H 93 7.919 7.919 7.978 -0.059 18221
6853 1 13 . 1 1 103 103 LEU N N 94 117.445 117.445 123.934 -6.489 18221
6854 1 13 . 1 1 103 103 LEU CA C 94 56.782 56.782 53.775 3.007 18221
6855 1 13 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.015 -0.113 18221
6856 1 13 . 1 1 103 103 LEU H H 94 8.037 8.037 7.962 0.075 18221
6857 1 13 . 1 1 104 104 GLY N N 95 106.296 106.296 110.901 -4.605 18221
6858 1 13 . 1 1 104 104 GLY C C 95 175.851 175.851 173.733 2.118 18221
6859 1 13 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.664 1.906 18221
6860 1 13 . 1 1 104 104 GLY H H 95 7.900 7.900 7.733 0.167 18221
6861 1 13 . 1 1 105 105 ALA N N 96 123.872 123.872 125.419 -1.547 18221
6862 1 13 . 1 1 105 105 ALA CA C 96 54.126 54.126 51.921 2.205 18221
6863 1 13 . 1 1 105 105 ALA CB C 96 17.587 17.587 19.043 -1.456 18221
6864 1 13 . 1 1 105 105 ALA H H 96 7.804 7.804 8.166 -0.362 18221
6865 1 13 . 1 1 106 106 TRP N N 97 120.348 120.348 123.740 -3.392 18221
6866 1 13 . 1 1 106 106 TRP C C 97 176.857 176.857 175.435 1.422 18221
6867 1 13 . 1 1 106 106 TRP CA C 97 56.900 56.900 55.469 1.431 18221
6868 1 13 . 1 1 106 106 TRP H H 97 8.385 8.385 7.839 0.546 18221
6869 1 13 . 1 1 107 107 LEU N N 98 117.756 117.756 125.766 -8.010 18221
6870 1 13 . 1 1 107 107 LEU C C 98 177.659 177.659 178.022 -0.363 18221
6871 1 13 . 1 1 107 107 LEU CA C 98 55.103 55.103 56.126 -1.023 18221
6872 1 13 . 1 1 107 107 LEU CB C 98 41.418 41.418 41.761 -0.343 18221
6873 1 13 . 1 1 107 107 LEU H H 98 7.880 7.880 7.888 -0.008 18221
6874 1 13 . 1 1 108 108 GLY N N 99 107.285 107.285 107.658 -0.373 18221
6875 1 13 . 1 1 108 108 GLY C C 99 173.815 173.815 174.488 -0.673 18221
6876 1 13 . 1 1 108 108 GLY CA C 99 44.947 44.947 45.394 -0.447 18221
6877 1 13 . 1 1 108 108 GLY H H 99 7.694 7.694 8.555 -0.861 18221
6878 1 13 . 1 1 109 109 SER N N 100 117.139 117.139 117.272 -0.133 18221
6879 1 13 . 1 1 109 109 SER C C 100 172.179 172.179 172.349 -0.170 18221
6880 1 13 . 1 1 109 109 SER CA C 100 56.015 56.015 58.354 -2.339 18221
6881 1 13 . 1 1 109 109 SER CB C 100 62.771 62.771 63.828 -1.057 18221
6882 1 13 . 1 1 109 109 SER H H 100 8.030 8.030 8.495 -0.465 18221
6883 1 13 . 1 1 111 111 PRO C C 102 177.073 177.073 175.827 1.246 18221
6884 1 13 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.120 -0.920 18221
6885 1 13 . 1 1 111 111 PRO CB C 102 31.211 31.211 30.202 1.009 18221
6886 1 13 . 1 1 112 112 SER N N 103 117.115 117.115 118.570 -1.455 18221
6887 1 13 . 1 1 112 112 SER C C 103 173.898 173.898 173.453 0.445 18221
6888 1 13 . 1 1 112 112 SER CA C 103 57.904 57.904 58.157 -0.253 18221
6889 1 13 . 1 1 112 112 SER CB C 103 63.360 63.360 64.626 -1.266 18221
6890 1 13 . 1 1 112 112 SER H H 103 8.345 8.345 7.829 0.516 18221
6891 1 14 . 1 1 11 11 GLY N N 2 109.366 109.366 109.604 -0.238 18221
6892 1 14 . 1 1 11 11 GLY C C 2 174.543 174.543 173.840 0.703 18221
6893 1 14 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.192 0.503 18221
6894 1 14 . 1 1 11 11 GLY H H 2 8.271 8.271 8.489 -0.218 18221
6895 1 14 . 1 1 12 12 LYS N N 3 121.129 121.129 120.691 0.438 18221
6896 1 14 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.143 -0.011 18221
6897 1 14 . 1 1 12 12 LYS C C 3 177.234 177.234 176.026 1.208 18221
6898 1 14 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.160 0.652 18221
6899 1 14 . 1 1 12 12 LYS CB C 3 31.846 31.846 32.082 -0.236 18221
6900 1 14 . 1 1 12 12 LYS H H 3 8.057 8.057 8.142 -0.085 18221
6901 1 14 . 1 1 13 13 GLU N N 4 120.318 120.318 122.137 -1.819 18221
6902 1 14 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.201 -0.046 18221
6903 1 14 . 1 1 13 13 GLU C C 4 176.857 176.857 176.985 -0.128 18221
6904 1 14 . 1 1 13 13 GLU CA C 4 56.871 56.871 57.670 -0.800 18221
6905 1 14 . 1 1 13 13 GLU CB C 4 28.388 28.388 29.816 -1.428 18221
6906 1 14 . 1 1 13 13 GLU H H 4 8.398 8.398 8.566 -0.168 18221
6907 1 14 . 1 1 14 14 SER N N 5 115.504 115.504 115.847 -0.343 18221
6908 1 14 . 1 1 14 14 SER HA H 5 3.843 3.843 4.350 -0.507 18221
6909 1 14 . 1 1 14 14 SER C C 5 175.337 175.337 174.072 1.265 18221
6910 1 14 . 1 1 14 14 SER CA C 5 58.524 58.524 59.334 -0.810 18221
6911 1 14 . 1 1 14 14 SER CB C 5 63.360 63.360 63.599 -0.239 18221
6912 1 14 . 1 1 14 14 SER H H 5 8.089 8.089 8.154 -0.065 18221
6913 1 14 . 1 1 15 15 GLY N N 6 110.761 110.761 113.375 -2.614 18221
6914 1 14 . 1 1 15 15 GLY C C 6 174.581 174.581 173.667 0.914 18221
6915 1 14 . 1 1 15 15 GLY CA C 6 45.566 45.566 44.641 0.925 18221
6916 1 14 . 1 1 15 15 GLY H H 6 8.197 8.197 8.347 -0.150 18221
6917 1 14 . 1 1 16 16 TRP N N 7 121.800 121.800 123.050 -1.250 18221
6918 1 14 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.451 0.109 18221
6919 1 14 . 1 1 16 16 TRP C C 7 176.920 176.920 176.453 0.467 18221
6920 1 14 . 1 1 16 16 TRP CA C 7 58.081 58.081 57.130 0.951 18221
6921 1 14 . 1 1 16 16 TRP CB C 7 28.679 28.679 30.161 -1.482 18221
6922 1 14 . 1 1 16 16 TRP H H 7 8.184 8.184 8.392 -0.208 18221
6923 1 14 . 1 1 17 17 ASP N N 8 121.132 121.132 120.463 0.669 18221
6924 1 14 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.698 -0.303 18221
6925 1 14 . 1 1 17 17 ASP C C 8 176.941 176.941 175.506 1.435 18221
6926 1 14 . 1 1 17 17 ASP CA C 8 56.244 56.244 53.430 2.814 18221
6927 1 14 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.421 -1.476 18221
6928 1 14 . 1 1 17 17 ASP H H 8 8.332 8.332 8.205 0.127 18221
6929 1 14 . 1 1 18 18 SER N N 9 116.148 116.148 118.567 -2.419 18221
6930 1 14 . 1 1 18 18 SER HA H 9 3.861 3.861 4.559 -0.698 18221
6931 1 14 . 1 1 18 18 SER CA C 9 60.081 60.081 58.187 1.895 18221
6932 1 14 . 1 1 18 18 SER CB C 9 62.255 62.255 64.046 -1.791 18221
6933 1 14 . 1 1 18 18 SER H H 9 8.129 8.129 8.578 -0.449 18221
6934 1 14 . 1 1 19 19 GLY N N 10 110.747 110.747 112.208 -1.461 18221
6935 1 14 . 1 1 19 19 GLY C C 10 174.682 174.682 175.249 -0.567 18221
6936 1 14 . 1 1 19 19 GLY CA C 10 46.600 46.600 44.731 1.869 18221
6937 1 14 . 1 1 19 19 GLY H H 10 8.216 8.216 8.670 -0.454 18221
6938 1 14 . 1 1 20 20 ARG N N 11 121.405 121.405 119.507 1.898 18221
6939 1 14 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.057 -0.200 18221
6940 1 14 . 1 1 20 20 ARG C C 11 178.328 178.328 179.064 -0.736 18221
6941 1 14 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.636 0.449 18221
6942 1 14 . 1 1 20 20 ARG CB C 11 29.047 29.047 29.848 -0.801 18221
6943 1 14 . 1 1 20 20 ARG H H 11 8.158 8.158 8.548 -0.390 18221
6944 1 14 . 1 1 21 21 ALA N N 12 122.167 122.167 122.183 -0.016 18221
6945 1 14 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.089 0.011 18221
6946 1 14 . 1 1 21 21 ALA C C 12 180.129 180.129 179.509 0.620 18221
6947 1 14 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.653 -0.261 18221
6948 1 14 . 1 1 21 21 ALA CB C 12 17.414 17.414 18.011 -0.597 18221
6949 1 14 . 1 1 21 21 ALA H H 12 7.963 7.963 8.419 -0.456 18221
6950 1 14 . 1 1 22 22 ALA N N 13 122.150 122.150 121.445 0.705 18221
6951 1 14 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.997 0.040 18221
6952 1 14 . 1 1 22 22 ALA C C 13 179.095 179.095 179.825 -0.730 18221
6953 1 14 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.944 -0.228 18221
6954 1 14 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.138 -0.577 18221
6955 1 14 . 1 1 22 22 ALA H H 13 7.881 7.881 8.113 -0.232 18221
6956 1 14 . 1 1 23 23 VAL N N 14 117.107 117.107 119.118 -2.011 18221
6957 1 14 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.602 -0.122 18221
6958 1 14 . 1 1 23 23 VAL C C 14 177.586 177.586 177.657 -0.071 18221
6959 1 14 . 1 1 23 23 VAL CA C 14 66.198 66.198 66.039 0.159 18221
6960 1 14 . 1 1 23 23 VAL CB C 14 30.520 30.520 31.560 -1.040 18221
6961 1 14 . 1 1 23 23 VAL H H 14 7.888 7.888 8.145 -0.257 18221
6962 1 14 . 1 1 24 24 ALA N N 15 121.333 121.333 121.233 0.100 18221
6963 1 14 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.952 0.029 18221
6964 1 14 . 1 1 24 24 ALA C C 15 180.373 180.373 179.372 1.001 18221
6965 1 14 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.250 -0.239 18221
6966 1 14 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.761 -0.509 18221
6967 1 14 . 1 1 24 24 ALA H H 15 8.037 8.037 7.698 0.339 18221
6968 1 14 . 1 1 25 25 ALA N N 16 121.158 121.158 118.953 2.205 18221
6969 1 14 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.111 0.035 18221
6970 1 14 . 1 1 25 25 ALA C C 16 179.828 179.828 178.884 0.944 18221
6971 1 14 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.590 -0.139 18221
6972 1 14 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.535 -1.048 18221
6973 1 14 . 1 1 25 25 ALA H H 16 7.819 7.819 7.812 0.007 18221
6974 1 14 . 1 1 26 26 VAL N N 17 118.417 118.417 116.772 1.645 18221
6975 1 14 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.869 -0.091 18221
6976 1 14 . 1 1 26 26 VAL C C 17 178.020 178.020 176.903 1.117 18221
6977 1 14 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.935 1.643 18221
6978 1 14 . 1 1 26 26 VAL CB C 17 31.085 31.085 32.084 -1.000 18221
6979 1 14 . 1 1 26 26 VAL H H 17 7.848 7.848 7.375 0.473 18221
6980 1 14 . 1 1 27 27 VAL N N 18 119.240 119.240 118.656 0.584 18221
6981 1 14 . 1 1 27 27 VAL C C 18 177.719 177.719 177.300 0.419 18221
6982 1 14 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.462 1.529 18221
6983 1 14 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.344 -2.157 18221
6984 1 14 . 1 1 27 27 VAL H H 18 8.377 8.377 7.670 0.707 18221
6985 1 14 . 1 1 28 28 GLY N N 19 106.009 106.009 107.411 -1.402 18221
6986 1 14 . 1 1 28 28 GLY C C 19 176.212 176.212 174.461 1.751 18221
6987 1 14 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.492 -0.248 18221
6988 1 14 . 1 1 28 28 GLY H H 19 8.122 8.122 8.408 -0.286 18221
6989 1 14 . 1 1 29 29 GLY N N 20 110.216 110.216 113.143 -2.927 18221
6990 1 14 . 1 1 29 29 GLY C C 20 174.097 174.097 174.721 -0.624 18221
6991 1 14 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.959 1.375 18221
6992 1 14 . 1 1 29 29 GLY H H 20 8.039 8.039 8.116 -0.077 18221
6993 1 14 . 1 1 30 30 VAL N N 21 121.188 121.188 122.775 -1.587 18221
6994 1 14 . 1 1 30 30 VAL C C 21 177.073 177.073 177.736 -0.663 18221
6995 1 14 . 1 1 30 30 VAL CA C 21 62.574 62.574 64.950 -2.376 18221
6996 1 14 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.437 -0.647 18221
6997 1 14 . 1 1 30 30 VAL H H 21 7.983 7.983 7.899 0.084 18221
6998 1 14 . 1 1 32 32 ALA N N 23 125.091 125.091 121.248 3.843 18221
6999 1 14 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.063 0.197 18221
7000 1 14 . 1 1 32 32 ALA C C 23 179.523 179.523 179.903 -0.380 18221
7001 1 14 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.038 -1.355 18221
7002 1 14 . 1 1 32 32 ALA CB C 23 16.383 16.383 17.808 -1.425 18221
7003 1 14 . 1 1 32 32 ALA H H 23 8.036 8.036 8.269 -0.233 18221
7004 1 14 . 1 1 33 33 VAL N N 24 118.793 118.793 117.839 0.954 18221
7005 1 14 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.613 0.095 18221
7006 1 14 . 1 1 33 33 VAL C C 24 177.901 177.901 178.256 -0.355 18221
7007 1 14 . 1 1 33 33 VAL CA C 24 65.430 65.430 65.859 -0.429 18221
7008 1 14 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.465 -0.147 18221
7009 1 14 . 1 1 33 33 VAL H H 24 8.195 8.195 7.931 0.264 18221
7010 1 14 . 1 1 34 34 GLY N N 25 108.367 108.367 108.127 0.240 18221
7011 1 14 . 1 1 34 34 GLY C C 25 175.424 175.424 175.799 -0.375 18221
7012 1 14 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.532 -0.198 18221
7013 1 14 . 1 1 34 34 GLY H H 25 8.651 8.651 8.374 0.277 18221
7014 1 14 . 1 1 35 35 THR N N 26 116.448 116.448 119.466 -3.018 18221
7015 1 14 . 1 1 35 35 THR C C 26 176.843 176.843 177.027 -0.184 18221
7016 1 14 . 1 1 35 35 THR CA C 26 65.962 65.962 66.743 -0.781 18221
7017 1 14 . 1 1 35 35 THR CB C 26 68.414 68.414 68.493 -0.079 18221
7018 1 14 . 1 1 35 35 THR H H 26 7.975 7.975 8.358 -0.383 18221
7019 1 14 . 1 1 36 36 VAL N N 27 122.810 122.810 119.772 3.038 18221
7020 1 14 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.684 0.035 18221
7021 1 14 . 1 1 36 36 VAL C C 27 177.618 177.618 177.289 0.329 18221
7022 1 14 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.090 -0.364 18221
7023 1 14 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.159 -0.492 18221
7024 1 14 . 1 1 36 36 VAL H H 27 7.559 7.559 8.080 -0.521 18221
7025 1 14 . 1 1 37 37 LEU N N 28 119.566 119.566 121.946 -2.380 18221
7026 1 14 . 1 1 37 37 LEU HA H 28 3.953 3.953 4.011 -0.058 18221
7027 1 14 . 1 1 37 37 LEU C C 28 179.666 179.666 178.695 0.971 18221
7028 1 14 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.334 -0.489 18221
7029 1 14 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.941 -1.775 18221
7030 1 14 . 1 1 37 37 LEU H H 28 8.086 8.086 7.726 0.360 18221
7031 1 14 . 1 1 38 38 VAL N N 29 119.468 119.468 118.487 0.981 18221
7032 1 14 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.589 0.064 18221
7033 1 14 . 1 1 38 38 VAL C C 29 178.639 178.639 177.518 1.121 18221
7034 1 14 . 1 1 38 38 VAL CA C 29 65.473 65.473 65.520 -0.048 18221
7035 1 14 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.500 -0.891 18221
7036 1 14 . 1 1 38 38 VAL H H 29 8.066 8.066 8.430 -0.364 18221
7037 1 14 . 1 1 39 39 ALA N N 30 124.255 124.255 123.088 1.167 18221
7038 1 14 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.020 0.145 18221
7039 1 14 . 1 1 39 39 ALA C C 30 180.303 180.303 179.140 1.163 18221
7040 1 14 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.304 -0.470 18221
7041 1 14 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.204 -0.496 18221
7042 1 14 . 1 1 39 39 ALA H H 30 7.688 7.688 7.934 -0.246 18221
7043 1 14 . 1 1 40 40 LEU N N 31 118.268 118.268 118.129 0.139 18221
7044 1 14 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.017 0.124 18221
7045 1 14 . 1 1 40 40 LEU C C 31 179.271 179.271 178.798 0.473 18221
7046 1 14 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.389 -0.311 18221
7047 1 14 . 1 1 40 40 LEU CB C 31 40.902 40.902 42.051 -1.149 18221
7048 1 14 . 1 1 40 40 LEU H H 31 8.326 8.326 8.198 0.128 18221
7049 1 14 . 1 1 41 41 SER N N 32 114.984 114.984 114.202 0.782 18221
7050 1 14 . 1 1 41 41 SER HA H 32 3.952 3.952 4.216 -0.264 18221
7051 1 14 . 1 1 41 41 SER C C 32 176.284 176.284 176.233 0.051 18221
7052 1 14 . 1 1 41 41 SER CA C 32 60.885 60.885 61.038 -0.153 18221
7053 1 14 . 1 1 41 41 SER CB C 32 62.410 62.410 63.418 -1.008 18221
7054 1 14 . 1 1 41 41 SER H H 32 8.062 8.062 8.097 -0.035 18221
7055 1 14 . 1 1 42 42 ALA N N 33 124.588 124.588 125.586 -0.998 18221
7056 1 14 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.063 0.162 18221
7057 1 14 . 1 1 42 42 ALA C C 33 179.033 179.033 179.687 -0.654 18221
7058 1 14 . 1 1 42 42 ALA CA C 33 53.713 53.713 54.774 -1.061 18221
7059 1 14 . 1 1 42 42 ALA CB C 33 17.929 17.929 18.205 -0.276 18221
7060 1 14 . 1 1 42 42 ALA H H 33 7.813 7.813 8.306 -0.493 18221
7061 1 14 . 1 1 43 43 MET N N 34 116.808 116.808 117.102 -0.294 18221
7062 1 14 . 1 1 43 43 MET HA H 34 4.285 4.285 4.347 -0.062 18221
7063 1 14 . 1 1 43 43 MET C C 34 176.807 176.807 175.705 1.102 18221
7064 1 14 . 1 1 43 43 MET CA C 34 56.576 56.576 55.027 1.549 18221
7065 1 14 . 1 1 43 43 MET CB C 34 32.435 32.435 31.016 1.419 18221
7066 1 14 . 1 1 43 43 MET H H 34 7.691 7.691 7.609 0.082 18221
7067 1 14 . 1 1 44 44 GLY N N 35 107.020 107.020 107.138 -0.118 18221
7068 1 14 . 1 1 44 44 GLY C C 35 174.493 174.493 173.909 0.584 18221
7069 1 14 . 1 1 44 44 GLY CA C 35 45.065 45.065 44.847 0.218 18221
7070 1 14 . 1 1 44 44 GLY H H 35 7.793 7.793 8.115 -0.322 18221
7071 1 14 . 1 1 45 45 PHE N N 36 120.285 120.285 120.670 -0.385 18221
7072 1 14 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.184 0.323 18221
7073 1 14 . 1 1 45 45 PHE C C 36 176.876 176.876 174.379 2.497 18221
7074 1 14 . 1 1 45 45 PHE CA C 36 58.937 58.937 58.914 0.022 18221
7075 1 14 . 1 1 45 45 PHE CB C 36 38.178 38.178 39.449 -1.270 18221
7076 1 14 . 1 1 45 45 PHE H H 36 8.215 8.215 8.486 -0.271 18221
7077 1 14 . 1 1 46 46 THR N N 37 114.008 114.008 117.720 -3.712 18221
7078 1 14 . 1 1 46 46 THR HA H 37 4.080 4.080 3.850 0.230 18221
7079 1 14 . 1 1 46 46 THR C C 37 175.751 175.751 173.200 2.551 18221
7080 1 14 . 1 1 46 46 THR CA C 37 64.220 64.220 63.238 0.982 18221
7081 1 14 . 1 1 46 46 THR CB C 37 68.514 68.514 69.423 -0.909 18221
7082 1 14 . 1 1 46 46 THR H H 37 8.111 8.111 7.694 0.417 18221
7083 1 14 . 1 1 47 47 SER N N 38 116.646 116.646 114.974 1.672 18221
7084 1 14 . 1 1 47 47 SER HA H 38 3.918 3.918 4.514 -0.596 18221
7085 1 14 . 1 1 47 47 SER C C 38 176.744 176.744 174.909 1.835 18221
7086 1 14 . 1 1 47 47 SER CA C 38 59.911 59.911 59.728 0.183 18221
7087 1 14 . 1 1 47 47 SER CB C 38 62.624 62.624 63.482 -0.858 18221
7088 1 14 . 1 1 47 47 SER H H 38 8.079 8.079 8.340 -0.261 18221
7089 1 14 . 1 1 48 48 VAL N N 39 121.929 121.929 121.807 0.122 18221
7090 1 14 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.815 0.094 18221
7091 1 14 . 1 1 48 48 VAL C C 39 177.033 177.033 177.423 -0.390 18221
7092 1 14 . 1 1 48 48 VAL CA C 39 64.988 64.988 65.984 -0.996 18221
7093 1 14 . 1 1 48 48 VAL CB C 39 30.667 30.667 30.552 0.115 18221
7094 1 14 . 1 1 48 48 VAL H H 39 7.985 7.985 8.133 -0.148 18221
7095 1 14 . 1 1 49 49 GLY N N 40 108.633 108.633 108.855 -0.222 18221
7096 1 14 . 1 1 49 49 GLY C C 40 176.038 176.038 176.488 -0.450 18221
7097 1 14 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.453 -0.588 18221
7098 1 14 . 1 1 49 49 GLY H H 40 8.267 8.267 8.308 -0.041 18221
7099 1 14 . 1 1 50 50 ILE N N 41 122.466 122.466 123.354 -0.888 18221
7100 1 14 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.667 0.204 18221
7101 1 14 . 1 1 50 50 ILE C C 41 178.363 178.363 177.507 0.856 18221
7102 1 14 . 1 1 50 50 ILE CA C 41 63.515 63.515 63.515 0.000 18221
7103 1 14 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.797 -0.559 18221
7104 1 14 . 1 1 50 50 ILE H H 41 7.865 7.865 7.921 -0.056 18221
7105 1 14 . 1 1 51 51 ALA N N 42 125.064 125.064 121.195 3.869 18221
7106 1 14 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.812 0.287 18221
7107 1 14 . 1 1 51 51 ALA C C 42 179.385 179.385 179.349 0.036 18221
7108 1 14 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.425 -0.945 18221
7109 1 14 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.765 -0.278 18221
7110 1 14 . 1 1 51 51 ALA H H 42 7.930 7.930 8.421 -0.491 18221
7111 1 14 . 1 1 52 52 ALA N N 43 120.594 120.594 119.879 0.715 18221
7112 1 14 . 1 1 52 52 ALA HA H 43 3.937 3.937 3.939 -0.002 18221
7113 1 14 . 1 1 52 52 ALA C C 43 179.088 179.088 180.156 -1.068 18221
7114 1 14 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.877 0.223 18221
7115 1 14 . 1 1 52 52 ALA CB C 43 17.635 17.635 17.845 -0.210 18221
7116 1 14 . 1 1 52 52 ALA H H 43 8.639 8.639 8.118 0.521 18221
7117 1 14 . 1 1 53 53 SER N N 44 113.012 113.012 114.886 -1.874 18221
7118 1 14 . 1 1 53 53 SER HA H 44 3.966 3.966 4.130 -0.164 18221
7119 1 14 . 1 1 53 53 SER C C 44 176.898 176.898 176.853 0.045 18221
7120 1 14 . 1 1 53 53 SER CA C 44 61.139 61.139 61.886 -0.747 18221
7121 1 14 . 1 1 53 53 SER CB C 44 62.347 62.347 63.086 -0.739 18221
7122 1 14 . 1 1 53 53 SER H H 44 8.193 8.193 8.112 0.081 18221
7123 1 14 . 1 1 54 54 SER N N 45 118.714 118.714 118.653 0.061 18221
7124 1 14 . 1 1 54 54 SER HA H 45 3.975 3.975 4.107 -0.132 18221
7125 1 14 . 1 1 54 54 SER C C 45 177.131 177.131 176.789 0.342 18221
7126 1 14 . 1 1 54 54 SER CA C 45 61.210 61.210 62.105 -0.895 18221
7127 1 14 . 1 1 54 54 SER CB C 45 62.255 62.255 63.096 -0.841 18221
7128 1 14 . 1 1 54 54 SER H H 45 7.944 7.944 8.527 -0.583 18221
7129 1 14 . 1 1 55 55 ILE N N 46 122.912 122.912 120.837 2.075 18221
7130 1 14 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.729 0.028 18221
7131 1 14 . 1 1 55 55 ILE C C 46 177.813 177.813 177.811 0.002 18221
7132 1 14 . 1 1 55 55 ILE CA C 46 64.191 64.191 63.959 0.232 18221
7133 1 14 . 1 1 55 55 ILE CB C 46 36.926 36.926 36.840 0.085 18221
7134 1 14 . 1 1 55 55 ILE H H 46 8.028 8.028 8.630 -0.602 18221
7135 1 14 . 1 1 56 56 ALA N N 47 122.990 122.990 121.928 1.062 18221
7136 1 14 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.060 -0.104 18221
7137 1 14 . 1 1 56 56 ALA C C 47 180.294 180.294 178.989 1.305 18221
7138 1 14 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.479 -0.141 18221
7139 1 14 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.721 -1.019 18221
7140 1 14 . 1 1 56 56 ALA H H 47 8.333 8.333 7.837 0.496 18221
7141 1 14 . 1 1 57 57 ALA N N 48 121.988 121.988 121.566 0.422 18221
7142 1 14 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.189 -0.121 18221
7143 1 14 . 1 1 57 57 ALA CA C 48 54.421 54.421 52.883 1.538 18221
7144 1 14 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.587 -1.885 18221
7145 1 14 . 1 1 57 57 ALA H H 48 7.879 7.879 7.871 0.008 18221
7146 1 14 . 1 1 58 58 LYS N N 49 119.094 119.094 116.413 2.681 18221
7147 1 14 . 1 1 58 58 LYS HA H 49 4.146 4.146 4.059 0.087 18221
7148 1 14 . 1 1 58 58 LYS C C 49 179.649 179.649 174.796 4.853 18221
7149 1 14 . 1 1 58 58 LYS CA C 49 57.157 57.157 57.182 -0.025 18221
7150 1 14 . 1 1 58 58 LYS CB C 49 31.330 31.330 32.373 -1.043 18221
7151 1 14 . 1 1 58 58 LYS H H 49 7.727 7.727 8.209 -0.482 18221
7152 1 14 . 1 1 59 59 MET N N 50 120.498 120.498 121.133 -0.635 18221
7153 1 14 . 1 1 59 59 MET HA H 50 4.156 4.156 4.637 -0.481 18221
7154 1 14 . 1 1 59 59 MET C C 50 177.949 177.949 174.063 3.886 18221
7155 1 14 . 1 1 59 59 MET CA C 50 57.136 57.136 55.182 1.954 18221
7156 1 14 . 1 1 59 59 MET CB C 50 31.922 31.922 33.919 -1.997 18221
7157 1 14 . 1 1 59 59 MET H H 50 8.395 8.395 8.342 0.053 18221
7158 1 14 . 1 1 60 60 MET N N 51 117.689 117.689 118.836 -1.147 18221
7159 1 14 . 1 1 60 60 MET HA H 51 4.222 4.222 4.766 -0.544 18221
7160 1 14 . 1 1 60 60 MET C C 51 177.674 177.674 176.444 1.230 18221
7161 1 14 . 1 1 60 60 MET CA C 51 57.638 57.638 55.817 1.821 18221
7162 1 14 . 1 1 60 60 MET CB C 51 31.785 31.785 33.653 -1.868 18221
7163 1 14 . 1 1 60 60 MET H H 51 8.234 8.234 8.510 -0.276 18221
7164 1 14 . 1 1 61 61 SER N N 52 114.385 114.385 117.699 -3.314 18221
7165 1 14 . 1 1 61 61 SER HA H 52 4.001 4.001 4.481 -0.480 18221
7166 1 14 . 1 1 61 61 SER C C 52 176.079 176.079 174.657 1.422 18221
7167 1 14 . 1 1 61 61 SER CA C 52 59.911 59.911 58.298 1.613 18221
7168 1 14 . 1 1 61 61 SER CB C 52 62.624 62.624 63.777 -1.153 18221
7169 1 14 . 1 1 61 61 SER H H 52 7.893 7.893 8.027 -0.134 18221
7170 1 14 . 1 1 62 62 THR N N 53 117.304 117.304 119.988 -2.684 18221
7171 1 14 . 1 1 62 62 THR HA H 53 4.104 4.104 4.137 -0.033 18221
7172 1 14 . 1 1 62 62 THR C C 53 175.436 175.436 175.161 0.275 18221
7173 1 14 . 1 1 62 62 THR CA C 53 64.220 64.220 63.692 0.528 18221
7174 1 14 . 1 1 62 62 THR CB C 53 68.514 68.514 69.294 -0.780 18221
7175 1 14 . 1 1 62 62 THR H H 53 7.794 7.794 8.387 -0.593 18221
7176 1 14 . 1 1 63 63 ALA N N 54 125.382 125.382 131.314 -5.932 18221
7177 1 14 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.021 0.073 18221
7178 1 14 . 1 1 63 63 ALA C C 54 178.328 178.328 177.682 0.646 18221
7179 1 14 . 1 1 63 63 ALA CA C 54 54.096 54.096 54.741 -0.645 18221
7180 1 14 . 1 1 63 63 ALA CB C 54 17.708 17.708 19.155 -1.447 18221
7181 1 14 . 1 1 63 63 ALA H H 54 8.204 8.204 8.833 -0.629 18221
7182 1 14 . 1 1 64 64 ALA N N 55 119.929 119.929 118.716 1.213 18221
7183 1 14 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.344 -0.219 18221
7184 1 14 . 1 1 64 64 ALA C C 55 179.183 179.183 176.409 2.774 18221
7185 1 14 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.107 1.930 18221
7186 1 14 . 1 1 64 64 ALA CB C 55 17.708 17.708 19.875 -2.167 18221
7187 1 14 . 1 1 64 64 ALA H H 55 7.951 7.951 7.957 -0.006 18221
7188 1 14 . 1 1 65 65 ILE N N 56 117.016 117.016 118.652 -1.636 18221
7189 1 14 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.230 -0.280 18221
7190 1 14 . 1 1 65 65 ILE C C 56 177.222 177.222 173.877 3.345 18221
7191 1 14 . 1 1 65 65 ILE CA C 56 62.184 62.184 62.334 -0.150 18221
7192 1 14 . 1 1 65 65 ILE CB C 56 37.073 37.073 39.486 -2.413 18221
7193 1 14 . 1 1 65 65 ILE H H 56 7.561 7.561 7.655 -0.094 18221
7194 1 14 . 1 1 66 66 ALA N N 57 124.191 124.191 131.909 -7.718 18221
7195 1 14 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.371 -0.194 18221
7196 1 14 . 1 1 66 66 ALA C C 57 178.190 178.190 175.878 2.312 18221
7197 1 14 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.581 0.955 18221
7198 1 14 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.589 -1.660 18221
7199 1 14 . 1 1 66 66 ALA H H 57 7.982 7.982 8.681 -0.699 18221
7200 1 14 . 1 1 67 67 ASN N N 58 116.132 116.132 119.306 -3.174 18221
7201 1 14 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.461 0.212 18221
7202 1 14 . 1 1 67 67 ASN C C 58 176.344 176.344 176.184 0.160 18221
7203 1 14 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.211 0.266 18221
7204 1 14 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.818 -0.346 18221
7205 1 14 . 1 1 67 67 ASN H H 58 8.113 8.113 8.601 -0.488 18221
7206 1 14 . 1 1 68 68 GLY N N 59 108.808 108.808 111.986 -3.178 18221
7207 1 14 . 1 1 68 68 GLY C C 59 174.958 174.958 173.915 1.043 18221
7208 1 14 . 1 1 68 68 GLY CA C 59 45.655 45.655 45.654 0.001 18221
7209 1 14 . 1 1 68 68 GLY H H 59 8.152 8.152 8.525 -0.373 18221
7210 1 14 . 1 1 69 69 GLY N N 60 108.832 108.832 112.558 -3.726 18221
7211 1 14 . 1 1 69 69 GLY C C 60 174.631 174.631 174.891 -0.260 18221
7212 1 14 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.396 1.023 18221
7213 1 14 . 1 1 69 69 GLY H H 60 8.218 8.218 8.100 0.118 18221
7214 1 14 . 1 1 70 70 GLY N N 61 108.966 108.966 110.687 -1.721 18221
7215 1 14 . 1 1 70 70 GLY C C 61 174.594 174.594 174.312 0.282 18221
7216 1 14 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.965 0.396 18221
7217 1 14 . 1 1 70 70 GLY H H 61 8.175 8.175 8.359 -0.184 18221
7218 1 14 . 1 1 71 71 VAL N N 62 120.209 120.209 117.565 2.644 18221
7219 1 14 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.717 0.289 18221
7220 1 14 . 1 1 71 71 VAL C C 62 176.077 176.077 175.476 0.601 18221
7221 1 14 . 1 1 71 71 VAL CA C 62 62.390 62.390 62.544 -0.154 18221
7222 1 14 . 1 1 71 71 VAL CB C 62 31.698 31.698 31.140 0.558 18221
7223 1 14 . 1 1 71 71 VAL H H 62 7.882 7.882 8.200 -0.318 18221
7224 1 14 . 1 1 72 72 ALA N N 63 126.966 126.966 125.538 1.428 18221
7225 1 14 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.082 -0.056 18221
7226 1 14 . 1 1 72 72 ALA C C 63 178.064 178.064 176.381 1.683 18221
7227 1 14 . 1 1 72 72 ALA CA C 63 52.503 52.503 52.573 -0.070 18221
7228 1 14 . 1 1 72 72 ALA CB C 63 18.225 18.225 19.023 -0.798 18221
7229 1 14 . 1 1 72 72 ALA H H 63 8.237 8.237 8.070 0.167 18221
7230 1 14 . 1 1 73 73 ALA N N 64 123.432 123.432 118.803 4.629 18221
7231 1 14 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.048 -0.033 18221
7232 1 14 . 1 1 73 73 ALA C C 64 178.995 178.995 176.201 2.794 18221
7233 1 14 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.543 1.878 18221
7234 1 14 . 1 1 73 73 ALA CB C 64 18.003 18.003 18.303 -0.300 18221
7235 1 14 . 1 1 73 73 ALA H H 64 8.421 8.421 8.420 0.001 18221
7236 1 14 . 1 1 74 74 GLY N N 65 105.577 105.577 105.536 0.041 18221
7237 1 14 . 1 1 74 74 GLY C C 65 176.367 176.367 174.835 1.532 18221
7238 1 14 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.364 1.880 18221
7239 1 14 . 1 1 74 74 GLY H H 65 8.448 8.448 7.629 0.819 18221
7240 1 14 . 1 1 75 75 SER N N 66 117.656 117.656 116.344 1.312 18221
7241 1 14 . 1 1 75 75 SER HA H 66 4.394 4.394 4.106 0.288 18221
7242 1 14 . 1 1 75 75 SER C C 66 176.329 176.329 176.742 -0.413 18221
7243 1 14 . 1 1 75 75 SER CA C 66 60.236 60.236 61.493 -1.257 18221
7244 1 14 . 1 1 75 75 SER CB C 66 62.476 62.476 63.287 -0.811 18221
7245 1 14 . 1 1 75 75 SER H H 66 7.899 7.899 8.836 -0.937 18221
7246 1 14 . 1 1 76 76 LEU N N 67 122.743 122.743 122.093 0.650 18221
7247 1 14 . 1 1 76 76 LEU HA H 67 4.050 4.050 4.067 -0.017 18221
7248 1 14 . 1 1 76 76 LEU C C 67 178.442 178.442 178.535 -0.093 18221
7249 1 14 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.848 -0.328 18221
7250 1 14 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.071 -0.390 18221
7251 1 14 . 1 1 76 76 LEU H H 67 7.955 7.955 8.276 -0.321 18221
7252 1 14 . 1 1 77 77 VAL N N 68 118.400 118.400 118.591 -0.191 18221
7253 1 14 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.574 -0.103 18221
7254 1 14 . 1 1 77 77 VAL C C 68 177.297 177.297 178.015 -0.718 18221
7255 1 14 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.273 0.397 18221
7256 1 14 . 1 1 77 77 VAL CB C 68 30.520 30.520 30.181 0.339 18221
7257 1 14 . 1 1 77 77 VAL H H 68 8.039 8.039 8.090 -0.051 18221
7258 1 14 . 1 1 78 78 ALA N N 69 121.927 121.927 121.933 -0.006 18221
7259 1 14 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.001 0.204 18221
7260 1 14 . 1 1 78 78 ALA C C 69 181.258 181.258 179.675 1.583 18221
7261 1 14 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.337 -0.355 18221
7262 1 14 . 1 1 78 78 ALA CB C 69 17.414 17.414 17.904 -0.490 18221
7263 1 14 . 1 1 78 78 ALA H H 69 7.631 7.631 7.874 -0.243 18221
7264 1 14 . 1 1 79 79 ILE N N 70 119.782 119.782 119.880 -0.098 18221
7265 1 14 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.643 0.153 18221
7266 1 14 . 1 1 79 79 ILE C C 70 178.253 178.253 177.718 0.535 18221
7267 1 14 . 1 1 79 79 ILE CA C 70 64.352 64.352 65.005 -0.653 18221
7268 1 14 . 1 1 79 79 ILE CB C 70 37.073 37.073 38.065 -0.991 18221
7269 1 14 . 1 1 79 79 ILE H H 70 7.841 7.841 7.412 0.429 18221
7270 1 14 . 1 1 80 80 LEU N N 71 120.841 120.841 120.009 0.832 18221
7271 1 14 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.747 0.190 18221
7272 1 14 . 1 1 80 80 LEU C C 71 179.234 179.234 178.534 0.700 18221
7273 1 14 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.172 -0.327 18221
7274 1 14 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.843 -1.824 18221
7275 1 14 . 1 1 80 80 LEU H H 71 8.190 8.190 8.254 -0.064 18221
7276 1 14 . 1 1 81 81 GLN N N 72 117.558 117.558 117.808 -0.250 18221
7277 1 14 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.905 0.064 18221
7278 1 14 . 1 1 81 81 GLN C C 72 178.530 178.530 178.709 -0.179 18221
7279 1 14 . 1 1 81 81 GLN CA C 72 58.819 58.819 58.946 -0.127 18221
7280 1 14 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.366 -1.086 18221
7281 1 14 . 1 1 81 81 GLN H H 72 8.489 8.489 8.309 0.180 18221
7282 1 14 . 1 1 82 82 SER N N 73 116.103 116.103 116.105 -0.002 18221
7283 1 14 . 1 1 82 82 SER HA H 73 4.233 4.233 4.154 0.079 18221
7284 1 14 . 1 1 82 82 SER C C 73 177.243 177.243 176.968 0.275 18221
7285 1 14 . 1 1 82 82 SER CA C 73 61.044 61.044 61.435 -0.391 18221
7286 1 14 . 1 1 82 82 SER CB C 73 62.257 62.257 63.048 -0.791 18221
7287 1 14 . 1 1 82 82 SER H H 73 7.855 7.855 8.018 -0.163 18221
7288 1 14 . 1 1 83 83 VAL N N 74 120.362 120.362 121.865 -1.503 18221
7289 1 14 . 1 1 83 83 VAL C C 74 177.979 177.979 177.083 0.896 18221
7290 1 14 . 1 1 83 83 VAL CA C 74 65.106 65.106 65.485 -0.379 18221
7291 1 14 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.723 -0.982 18221
7292 1 14 . 1 1 83 83 VAL H H 74 8.030 8.030 8.102 -0.072 18221
7293 1 14 . 1 1 84 84 GLY N N 75 108.223 108.223 105.955 2.268 18221
7294 1 14 . 1 1 84 84 GLY C C 75 174.913 174.913 175.548 -0.635 18221
7295 1 14 . 1 1 84 84 GLY CA C 75 46.777 46.777 46.939 -0.162 18221
7296 1 14 . 1 1 84 84 GLY H H 75 8.369 8.369 7.825 0.544 18221
7297 1 14 . 1 1 85 85 ALA N N 76 123.550 123.550 124.473 -0.923 18221
7298 1 14 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.167 -0.073 18221
7299 1 14 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.816 -0.218 18221
7300 1 14 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.322 -0.699 18221
7301 1 14 . 1 1 85 85 ALA H H 76 8.115 8.115 8.083 0.032 18221
7302 1 14 . 1 1 86 86 ALA N N 77 120.410 120.410 121.015 -0.605 18221
7303 1 14 . 1 1 86 86 ALA C C 77 178.988 178.988 179.552 -0.564 18221
7304 1 14 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.316 -0.480 18221
7305 1 14 . 1 1 86 86 ALA CB C 77 17.510 17.510 18.111 -0.601 18221
7306 1 14 . 1 1 86 86 ALA H H 77 8.632 8.632 8.289 0.343 18221
7307 1 14 . 1 1 87 87 GLY N N 78 105.706 105.706 107.070 -1.364 18221
7308 1 14 . 1 1 87 87 GLY C C 78 175.939 175.939 175.735 0.204 18221
7309 1 14 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.799 -0.681 18221
7310 1 14 . 1 1 87 87 GLY H H 78 8.196 8.196 7.955 0.241 18221
7311 1 14 . 1 1 88 88 LEU N N 79 124.128 124.128 121.923 2.205 18221
7312 1 14 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.497 -0.095 18221
7313 1 14 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.793 -1.406 18221
7314 1 14 . 1 1 88 88 LEU H H 79 8.449 8.449 7.977 0.472 18221
7315 1 14 . 1 1 89 89 SER N N 80 116.251 116.251 114.770 1.481 18221
7316 1 14 . 1 1 89 89 SER C C 80 179.153 179.153 176.401 2.752 18221
7317 1 14 . 1 1 89 89 SER CA C 80 61.023 61.023 61.731 -0.708 18221
7318 1 14 . 1 1 89 89 SER CB C 80 62.255 62.255 63.135 -0.880 18221
7319 1 14 . 1 1 89 89 SER H H 80 8.120 8.120 8.244 -0.124 18221
7320 1 14 . 1 1 90 90 VAL N N 81 119.310 119.310 121.976 -2.666 18221
7321 1 14 . 1 1 90 90 VAL C C 81 177.652 177.652 178.000 -0.348 18221
7322 1 14 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.805 -0.729 18221
7323 1 14 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.619 -0.289 18221
7324 1 14 . 1 1 90 90 VAL H H 81 7.955 7.955 8.059 -0.104 18221
7325 1 14 . 1 1 91 91 THR N N 82 115.535 115.535 116.692 -1.157 18221
7326 1 14 . 1 1 91 91 THR C C 82 176.571 176.571 176.719 -0.148 18221
7327 1 14 . 1 1 91 91 THR CA C 82 66.434 66.434 67.737 -1.303 18221
7328 1 14 . 1 1 91 91 THR CB C 82 67.742 67.742 68.884 -1.142 18221
7329 1 14 . 1 1 91 91 THR H H 82 7.888 7.888 8.558 -0.670 18221
7330 1 14 . 1 1 92 92 SER N N 83 116.537 116.537 117.827 -1.290 18221
7331 1 14 . 1 1 92 92 SER HA H 83 4.040 4.040 4.123 -0.083 18221
7332 1 14 . 1 1 92 92 SER C C 83 176.761 176.761 176.673 0.088 18221
7333 1 14 . 1 1 92 92 SER CA C 83 61.564 61.564 61.764 -0.200 18221
7334 1 14 . 1 1 92 92 SER CB C 83 62.009 62.009 62.728 -0.719 18221
7335 1 14 . 1 1 92 92 SER H H 83 8.212 8.212 8.059 0.153 18221
7336 1 14 . 1 1 93 93 LYS N N 84 122.353 122.353 121.480 0.873 18221
7337 1 14 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.999 0.120 18221
7338 1 14 . 1 1 93 93 LYS C C 84 172.812 172.812 179.163 -6.351 18221
7339 1 14 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.382 -0.947 18221
7340 1 14 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.307 -0.831 18221
7341 1 14 . 1 1 93 93 LYS H H 84 7.642 7.642 8.108 -0.466 18221
7342 1 14 . 1 1 94 94 VAL N N 85 119.348 119.348 118.579 0.769 18221
7343 1 14 . 1 1 94 94 VAL C C 85 177.948 177.948 177.162 0.786 18221
7344 1 14 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.733 -0.344 18221
7345 1 14 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.712 0.134 18221
7346 1 14 . 1 1 94 94 VAL H H 85 8.414 8.414 7.833 0.581 18221
7347 1 14 . 1 1 95 95 ILE N N 86 118.769 118.769 115.899 2.870 18221
7348 1 14 . 1 1 95 95 ILE C C 86 177.972 177.972 176.638 1.334 18221
7349 1 14 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.816 0.021 18221
7350 1 14 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.691 -2.059 18221
7351 1 14 . 1 1 95 95 ILE H H 86 8.169 8.169 7.809 0.360 18221
7352 1 14 . 1 1 96 96 GLY N N 87 107.955 107.955 104.083 3.872 18221
7353 1 14 . 1 1 96 96 GLY C C 87 176.571 176.571 173.787 2.784 18221
7354 1 14 . 1 1 96 96 GLY CA C 87 46.511 46.511 45.303 1.208 18221
7355 1 14 . 1 1 96 96 GLY H H 87 8.182 8.182 8.354 -0.172 18221
7356 1 14 . 1 1 97 97 GLY N N 88 109.117 109.117 109.144 -0.027 18221
7357 1 14 . 1 1 97 97 GLY C C 88 175.524 175.524 174.636 0.888 18221
7358 1 14 . 1 1 97 97 GLY CA C 88 45.832 45.832 44.711 1.121 18221
7359 1 14 . 1 1 97 97 GLY H H 88 7.953 7.953 8.242 -0.289 18221
7360 1 14 . 1 1 98 98 PHE N N 89 121.100 121.100 117.965 3.135 18221
7361 1 14 . 1 1 98 98 PHE C C 89 176.367 176.367 174.842 1.525 18221
7362 1 14 . 1 1 98 98 PHE CA C 89 56.900 56.900 59.074 -2.174 18221
7363 1 14 . 1 1 98 98 PHE CB C 89 38.832 38.832 37.679 1.153 18221
7364 1 14 . 1 1 98 98 PHE H H 89 8.000 8.000 8.292 -0.292 18221
7365 1 14 . 1 1 99 99 ALA N N 90 122.834 122.834 127.661 -4.827 18221
7366 1 14 . 1 1 99 99 ALA C C 90 178.348 178.348 177.852 0.496 18221
7367 1 14 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.361 2.916 18221
7368 1 14 . 1 1 99 99 ALA CB C 90 17.414 17.414 19.441 -2.027 18221
7369 1 14 . 1 1 99 99 ALA H H 90 8.322 8.322 8.730 -0.408 18221
7370 1 14 . 1 1 100 100 GLY N N 91 106.688 106.688 109.265 -2.577 18221
7371 1 14 . 1 1 100 100 GLY C C 91 175.878 175.878 174.940 0.938 18221
7372 1 14 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.550 0.076 18221
7373 1 14 . 1 1 100 100 GLY H H 91 8.000 8.000 8.296 -0.296 18221
7374 1 14 . 1 1 101 101 THR N N 92 115.689 115.689 118.157 -2.468 18221
7375 1 14 . 1 1 101 101 THR C C 92 178.476 178.476 173.928 4.548 18221
7376 1 14 . 1 1 101 101 THR CA C 92 63.364 63.364 62.940 0.424 18221
7377 1 14 . 1 1 101 101 THR CB C 92 69.619 69.619 69.430 0.189 18221
7378 1 14 . 1 1 101 101 THR H H 92 7.754 7.754 7.977 -0.223 18221
7379 1 14 . 1 1 102 102 ALA N N 93 124.835 124.835 127.161 -2.326 18221
7380 1 14 . 1 1 102 102 ALA CA C 93 54.311 54.311 52.925 1.386 18221
7381 1 14 . 1 1 102 102 ALA CB C 93 17.679 17.679 18.041 -0.362 18221
7382 1 14 . 1 1 102 102 ALA H H 93 7.919 7.919 8.716 -0.797 18221
7383 1 14 . 1 1 103 103 LEU N N 94 117.445 117.445 121.056 -3.611 18221
7384 1 14 . 1 1 103 103 LEU CA C 94 56.782 56.782 56.149 0.633 18221
7385 1 14 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.791 -0.889 18221
7386 1 14 . 1 1 103 103 LEU H H 94 8.037 8.037 8.248 -0.211 18221
7387 1 14 . 1 1 104 104 GLY N N 95 106.296 106.296 110.081 -3.785 18221
7388 1 14 . 1 1 104 104 GLY C C 95 175.851 175.851 175.191 0.660 18221
7389 1 14 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.890 1.680 18221
7390 1 14 . 1 1 104 104 GLY H H 95 7.900 7.900 8.338 -0.438 18221
7391 1 14 . 1 1 105 105 ALA N N 96 123.872 123.872 123.455 0.417 18221
7392 1 14 . 1 1 105 105 ALA CA C 96 54.126 54.126 51.961 2.166 18221
7393 1 14 . 1 1 105 105 ALA CB C 96 17.587 17.587 19.534 -1.947 18221
7394 1 14 . 1 1 105 105 ALA H H 96 7.804 7.804 8.048 -0.244 18221
7395 1 14 . 1 1 106 106 TRP N N 97 120.348 120.348 121.298 -0.950 18221
7396 1 14 . 1 1 106 106 TRP C C 97 176.857 176.857 175.417 1.440 18221
7397 1 14 . 1 1 106 106 TRP CA C 97 56.900 56.900 55.682 1.218 18221
7398 1 14 . 1 1 106 106 TRP H H 97 8.385 8.385 8.059 0.326 18221
7399 1 14 . 1 1 107 107 LEU N N 98 117.756 117.756 123.418 -5.662 18221
7400 1 14 . 1 1 107 107 LEU C C 98 177.659 177.659 175.487 2.172 18221
7401 1 14 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.190 -0.087 18221
7402 1 14 . 1 1 107 107 LEU CB C 98 41.418 41.418 42.166 -0.748 18221
7403 1 14 . 1 1 107 107 LEU H H 98 7.880 7.880 8.698 -0.818 18221
7404 1 14 . 1 1 108 108 GLY N N 99 107.285 107.285 111.109 -3.824 18221
7405 1 14 . 1 1 108 108 GLY C C 99 173.815 173.815 173.328 0.487 18221
7406 1 14 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.159 0.788 18221
7407 1 14 . 1 1 108 108 GLY H H 99 7.694 7.694 8.118 -0.424 18221
7408 1 14 . 1 1 109 109 SER N N 100 117.139 117.139 120.193 -3.054 18221
7409 1 14 . 1 1 109 109 SER C C 100 172.179 172.179 173.418 -1.239 18221
7410 1 14 . 1 1 109 109 SER CA C 100 56.015 56.015 56.163 -0.148 18221
7411 1 14 . 1 1 109 109 SER CB C 100 62.771 62.771 63.722 -0.951 18221
7412 1 14 . 1 1 109 109 SER H H 100 8.030 8.030 8.232 -0.202 18221
7413 1 14 . 1 1 111 111 PRO C C 102 177.073 177.073 175.531 1.542 18221
7414 1 14 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.081 -0.881 18221
7415 1 14 . 1 1 111 111 PRO CB C 102 31.211 31.211 29.801 1.410 18221
7416 1 14 . 1 1 112 112 SER N N 103 117.115 117.115 114.808 2.307 18221
7417 1 14 . 1 1 112 112 SER C C 103 173.898 173.898 173.347 0.551 18221
7418 1 14 . 1 1 112 112 SER CA C 103 57.904 57.904 58.020 -0.116 18221
7419 1 14 . 1 1 112 112 SER CB C 103 63.360 63.360 64.611 -1.251 18221
7420 1 14 . 1 1 112 112 SER H H 103 8.345 8.345 8.136 0.209 18221
7421 1 15 . 1 1 11 11 GLY N N 2 109.366 109.366 110.761 -1.395 18221
7422 1 15 . 1 1 11 11 GLY C C 2 174.543 174.543 172.712 1.831 18221
7423 1 15 . 1 1 11 11 GLY CA C 2 45.695 45.695 44.807 0.888 18221
7424 1 15 . 1 1 11 11 GLY H H 2 8.271 8.271 8.016 0.255 18221
7425 1 15 . 1 1 12 12 LYS N N 3 121.129 121.129 123.305 -2.176 18221
7426 1 15 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.630 -0.498 18221
7427 1 15 . 1 1 12 12 LYS C C 3 177.234 177.234 176.686 0.548 18221
7428 1 15 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.364 0.448 18221
7429 1 15 . 1 1 12 12 LYS CB C 3 31.846 31.846 33.094 -1.248 18221
7430 1 15 . 1 1 12 12 LYS H H 3 8.057 8.057 8.041 0.016 18221
7431 1 15 . 1 1 13 13 GLU N N 4 120.318 120.318 122.733 -2.415 18221
7432 1 15 . 1 1 13 13 GLU HA H 4 4.155 4.155 3.841 0.314 18221
7433 1 15 . 1 1 13 13 GLU C C 4 176.857 176.857 176.327 0.530 18221
7434 1 15 . 1 1 13 13 GLU CA C 4 56.871 56.871 58.316 -1.445 18221
7435 1 15 . 1 1 13 13 GLU CB C 4 28.388 28.388 28.822 -0.434 18221
7436 1 15 . 1 1 13 13 GLU H H 4 8.398 8.398 8.989 -0.591 18221
7437 1 15 . 1 1 14 14 SER N N 5 115.504 115.504 116.061 -0.557 18221
7438 1 15 . 1 1 14 14 SER HA H 5 3.843 3.843 4.245 -0.402 18221
7439 1 15 . 1 1 14 14 SER C C 5 175.337 175.337 174.120 1.217 18221
7440 1 15 . 1 1 14 14 SER CA C 5 58.524 58.524 60.229 -1.705 18221
7441 1 15 . 1 1 14 14 SER CB C 5 63.360 63.360 63.676 -0.316 18221
7442 1 15 . 1 1 14 14 SER H H 5 8.089 8.089 8.214 -0.125 18221
7443 1 15 . 1 1 15 15 GLY N N 6 110.761 110.761 113.021 -2.260 18221
7444 1 15 . 1 1 15 15 GLY C C 6 174.581 174.581 173.821 0.760 18221
7445 1 15 . 1 1 15 15 GLY CA C 6 45.566 45.566 44.530 1.036 18221
7446 1 15 . 1 1 15 15 GLY H H 6 8.197 8.197 8.164 0.033 18221
7447 1 15 . 1 1 16 16 TRP N N 7 121.800 121.800 123.750 -1.950 18221
7448 1 15 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.640 -0.080 18221
7449 1 15 . 1 1 16 16 TRP C C 7 176.920 176.920 176.020 0.900 18221
7450 1 15 . 1 1 16 16 TRP CA C 7 58.081 58.081 55.858 2.223 18221
7451 1 15 . 1 1 16 16 TRP CB C 7 28.679 28.679 28.487 0.192 18221
7452 1 15 . 1 1 16 16 TRP H H 7 8.184 8.184 8.737 -0.553 18221
7453 1 15 . 1 1 17 17 ASP N N 8 121.132 121.132 122.331 -1.199 18221
7454 1 15 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.236 0.159 18221
7455 1 15 . 1 1 17 17 ASP C C 8 176.941 176.941 176.510 0.431 18221
7456 1 15 . 1 1 17 17 ASP CA C 8 56.244 56.244 55.278 0.966 18221
7457 1 15 . 1 1 17 17 ASP CB C 8 39.945 39.945 40.548 -0.603 18221
7458 1 15 . 1 1 17 17 ASP H H 8 8.332 8.332 8.563 -0.231 18221
7459 1 15 . 1 1 18 18 SER N N 9 116.148 116.148 118.952 -2.804 18221
7460 1 15 . 1 1 18 18 SER HA H 9 3.861 3.861 3.975 -0.114 18221
7461 1 15 . 1 1 18 18 SER CA C 9 60.081 60.081 61.142 -1.061 18221
7462 1 15 . 1 1 18 18 SER CB C 9 62.255 62.255 63.221 -0.966 18221
7463 1 15 . 1 1 18 18 SER H H 9 8.129 8.129 9.118 -0.989 18221
7464 1 15 . 1 1 19 19 GLY N N 10 110.747 110.747 109.337 1.410 18221
7465 1 15 . 1 1 19 19 GLY C C 10 174.682 174.682 174.505 0.177 18221
7466 1 15 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.019 1.581 18221
7467 1 15 . 1 1 19 19 GLY H H 10 8.216 8.216 8.467 -0.251 18221
7468 1 15 . 1 1 20 20 ARG N N 11 121.405 121.405 124.222 -2.817 18221
7469 1 15 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.213 -0.356 18221
7470 1 15 . 1 1 20 20 ARG C C 11 178.328 178.328 178.206 0.122 18221
7471 1 15 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.292 0.793 18221
7472 1 15 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.365 -1.318 18221
7473 1 15 . 1 1 20 20 ARG H H 11 8.158 8.158 8.651 -0.493 18221
7474 1 15 . 1 1 21 21 ALA N N 12 122.167 122.167 122.351 -0.184 18221
7475 1 15 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.007 0.093 18221
7476 1 15 . 1 1 21 21 ALA C C 12 180.129 180.129 179.219 0.910 18221
7477 1 15 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.654 -0.262 18221
7478 1 15 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.893 -0.479 18221
7479 1 15 . 1 1 21 21 ALA H H 12 7.963 7.963 8.356 -0.393 18221
7480 1 15 . 1 1 22 22 ALA N N 13 122.150 122.150 120.744 1.406 18221
7481 1 15 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.855 0.182 18221
7482 1 15 . 1 1 22 22 ALA C C 13 179.095 179.095 179.608 -0.513 18221
7483 1 15 . 1 1 22 22 ALA CA C 13 54.716 54.716 55.009 -0.293 18221
7484 1 15 . 1 1 22 22 ALA CB C 13 17.561 17.561 17.923 -0.362 18221
7485 1 15 . 1 1 22 22 ALA H H 13 7.881 7.881 8.118 -0.237 18221
7486 1 15 . 1 1 23 23 VAL N N 14 117.107 117.107 118.415 -1.308 18221
7487 1 15 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.592 -0.112 18221
7488 1 15 . 1 1 23 23 VAL C C 14 177.586 177.586 178.236 -0.650 18221
7489 1 15 . 1 1 23 23 VAL CA C 14 66.198 66.198 66.043 0.155 18221
7490 1 15 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.751 -0.231 18221
7491 1 15 . 1 1 23 23 VAL H H 14 7.888 7.888 8.228 -0.340 18221
7492 1 15 . 1 1 24 24 ALA N N 15 121.333 121.333 122.022 -0.689 18221
7493 1 15 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.978 0.003 18221
7494 1 15 . 1 1 24 24 ALA C C 15 180.373 180.373 179.406 0.967 18221
7495 1 15 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.176 -0.165 18221
7496 1 15 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.894 -0.642 18221
7497 1 15 . 1 1 24 24 ALA H H 15 8.037 8.037 7.742 0.295 18221
7498 1 15 . 1 1 25 25 ALA N N 16 121.158 121.158 119.495 1.663 18221
7499 1 15 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.160 -0.014 18221
7500 1 15 . 1 1 25 25 ALA C C 16 179.828 179.828 178.626 1.202 18221
7501 1 15 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.707 -0.256 18221
7502 1 15 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.460 -0.973 18221
7503 1 15 . 1 1 25 25 ALA H H 16 7.819 7.819 7.837 -0.018 18221
7504 1 15 . 1 1 26 26 VAL N N 17 118.417 118.417 116.326 2.091 18221
7505 1 15 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.906 -0.128 18221
7506 1 15 . 1 1 26 26 VAL C C 17 178.020 178.020 177.323 0.697 18221
7507 1 15 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.570 2.008 18221
7508 1 15 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.684 -0.599 18221
7509 1 15 . 1 1 26 26 VAL H H 17 7.848 7.848 7.341 0.507 18221
7510 1 15 . 1 1 27 27 VAL N N 18 119.240 119.240 119.133 0.107 18221
7511 1 15 . 1 1 27 27 VAL C C 18 177.719 177.719 177.010 0.709 18221
7512 1 15 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.934 1.057 18221
7513 1 15 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.029 -1.843 18221
7514 1 15 . 1 1 27 27 VAL H H 18 8.377 8.377 7.615 0.762 18221
7515 1 15 . 1 1 28 28 GLY N N 19 106.009 106.009 107.242 -1.233 18221
7516 1 15 . 1 1 28 28 GLY C C 19 176.212 176.212 174.285 1.927 18221
7517 1 15 . 1 1 28 28 GLY CA C 19 46.244 46.244 45.778 0.466 18221
7518 1 15 . 1 1 28 28 GLY H H 19 8.122 8.122 7.634 0.488 18221
7519 1 15 . 1 1 29 29 GLY N N 20 110.216 110.216 113.772 -3.556 18221
7520 1 15 . 1 1 29 29 GLY C C 20 174.097 174.097 174.893 -0.796 18221
7521 1 15 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.578 1.756 18221
7522 1 15 . 1 1 29 29 GLY H H 20 8.039 8.039 7.797 0.242 18221
7523 1 15 . 1 1 30 30 VAL N N 21 121.188 121.188 121.839 -0.651 18221
7524 1 15 . 1 1 30 30 VAL C C 21 177.073 177.073 177.490 -0.417 18221
7525 1 15 . 1 1 30 30 VAL CA C 21 62.574 62.574 66.201 -3.627 18221
7526 1 15 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.377 -0.587 18221
7527 1 15 . 1 1 30 30 VAL H H 21 7.983 7.983 8.161 -0.178 18221
7528 1 15 . 1 1 32 32 ALA N N 23 125.091 125.091 121.436 3.655 18221
7529 1 15 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.128 0.132 18221
7530 1 15 . 1 1 32 32 ALA C C 23 179.523 179.523 180.160 -0.637 18221
7531 1 15 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.137 -1.454 18221
7532 1 15 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.092 -1.709 18221
7533 1 15 . 1 1 32 32 ALA H H 23 8.036 8.036 8.307 -0.271 18221
7534 1 15 . 1 1 33 33 VAL N N 24 118.793 118.793 117.259 1.534 18221
7535 1 15 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.741 -0.033 18221
7536 1 15 . 1 1 33 33 VAL C C 24 177.901 177.901 178.479 -0.578 18221
7537 1 15 . 1 1 33 33 VAL CA C 24 65.430 65.430 65.597 -0.166 18221
7538 1 15 . 1 1 33 33 VAL CB C 24 31.318 31.318 30.754 0.564 18221
7539 1 15 . 1 1 33 33 VAL H H 24 8.195 8.195 8.159 0.036 18221
7540 1 15 . 1 1 34 34 GLY N N 25 108.367 108.367 109.073 -0.706 18221
7541 1 15 . 1 1 34 34 GLY C C 25 175.424 175.424 175.883 -0.459 18221
7542 1 15 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.566 -0.232 18221
7543 1 15 . 1 1 34 34 GLY H H 25 8.651 8.651 8.391 0.260 18221
7544 1 15 . 1 1 35 35 THR N N 26 116.448 116.448 119.826 -3.378 18221
7545 1 15 . 1 1 35 35 THR C C 26 176.843 176.843 176.920 -0.077 18221
7546 1 15 . 1 1 35 35 THR CA C 26 65.962 65.962 67.955 -1.993 18221
7547 1 15 . 1 1 35 35 THR CB C 26 68.414 68.414 68.811 -0.397 18221
7548 1 15 . 1 1 35 35 THR H H 26 7.975 7.975 8.424 -0.449 18221
7549 1 15 . 1 1 36 36 VAL N N 27 122.810 122.810 121.074 1.736 18221
7550 1 15 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.555 0.164 18221
7551 1 15 . 1 1 36 36 VAL C C 27 177.618 177.618 177.231 0.387 18221
7552 1 15 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.569 -0.842 18221
7553 1 15 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.572 -0.905 18221
7554 1 15 . 1 1 36 36 VAL H H 27 7.559 7.559 7.989 -0.430 18221
7555 1 15 . 1 1 37 37 LEU N N 28 119.566 119.566 120.528 -0.962 18221
7556 1 15 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.845 0.108 18221
7557 1 15 . 1 1 37 37 LEU C C 28 179.666 179.666 178.679 0.987 18221
7558 1 15 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.343 -0.498 18221
7559 1 15 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.971 -1.806 18221
7560 1 15 . 1 1 37 37 LEU H H 28 8.086 8.086 7.703 0.383 18221
7561 1 15 . 1 1 38 38 VAL N N 29 119.468 119.468 118.072 1.396 18221
7562 1 15 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.434 0.219 18221
7563 1 15 . 1 1 38 38 VAL C C 29 178.639 178.639 177.787 0.852 18221
7564 1 15 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.609 -1.136 18221
7565 1 15 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.403 -0.794 18221
7566 1 15 . 1 1 38 38 VAL H H 29 8.066 8.066 8.370 -0.304 18221
7567 1 15 . 1 1 39 39 ALA N N 30 124.255 124.255 122.486 1.769 18221
7568 1 15 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.025 0.140 18221
7569 1 15 . 1 1 39 39 ALA C C 30 180.303 180.303 179.585 0.718 18221
7570 1 15 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.320 -0.486 18221
7571 1 15 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.186 -0.478 18221
7572 1 15 . 1 1 39 39 ALA H H 30 7.688 7.688 7.860 -0.172 18221
7573 1 15 . 1 1 40 40 LEU N N 31 118.268 118.268 119.363 -1.095 18221
7574 1 15 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.071 0.070 18221
7575 1 15 . 1 1 40 40 LEU C C 31 179.271 179.271 179.168 0.103 18221
7576 1 15 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.548 -0.470 18221
7577 1 15 . 1 1 40 40 LEU CB C 31 40.902 40.902 40.659 0.243 18221
7578 1 15 . 1 1 40 40 LEU H H 31 8.326 8.326 8.066 0.260 18221
7579 1 15 . 1 1 41 41 SER N N 32 114.984 114.984 114.535 0.449 18221
7580 1 15 . 1 1 41 41 SER HA H 32 3.952 3.952 4.120 -0.168 18221
7581 1 15 . 1 1 41 41 SER C C 32 176.284 176.284 176.249 0.035 18221
7582 1 15 . 1 1 41 41 SER CA C 32 60.885 60.885 60.932 -0.047 18221
7583 1 15 . 1 1 41 41 SER CB C 32 62.410 62.410 63.186 -0.776 18221
7584 1 15 . 1 1 41 41 SER H H 32 8.062 8.062 8.426 -0.364 18221
7585 1 15 . 1 1 42 42 ALA N N 33 124.588 124.588 121.865 2.723 18221
7586 1 15 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.190 0.035 18221
7587 1 15 . 1 1 42 42 ALA C C 33 179.033 179.033 179.409 -0.376 18221
7588 1 15 . 1 1 42 42 ALA CA C 33 53.713 53.713 54.319 -0.606 18221
7589 1 15 . 1 1 42 42 ALA CB C 33 17.929 17.929 19.064 -1.135 18221
7590 1 15 . 1 1 42 42 ALA H H 33 7.813 7.813 7.972 -0.159 18221
7591 1 15 . 1 1 43 43 MET N N 34 116.808 116.808 113.466 3.342 18221
7592 1 15 . 1 1 43 43 MET HA H 34 4.285 4.285 4.130 0.155 18221
7593 1 15 . 1 1 43 43 MET C C 34 176.807 176.807 176.422 0.385 18221
7594 1 15 . 1 1 43 43 MET CA C 34 56.576 56.576 57.954 -1.378 18221
7595 1 15 . 1 1 43 43 MET CB C 34 32.435 32.435 31.351 1.084 18221
7596 1 15 . 1 1 43 43 MET H H 34 7.691 7.691 8.320 -0.629 18221
7597 1 15 . 1 1 44 44 GLY N N 35 107.020 107.020 105.576 1.444 18221
7598 1 15 . 1 1 44 44 GLY C C 35 174.493 174.493 173.884 0.609 18221
7599 1 15 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.782 -0.717 18221
7600 1 15 . 1 1 44 44 GLY H H 35 7.793 7.793 8.196 -0.403 18221
7601 1 15 . 1 1 45 45 PHE N N 36 120.285 120.285 120.929 -0.644 18221
7602 1 15 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.677 -0.170 18221
7603 1 15 . 1 1 45 45 PHE C C 36 176.876 176.876 173.584 3.292 18221
7604 1 15 . 1 1 45 45 PHE CA C 36 58.937 58.937 57.937 1.000 18221
7605 1 15 . 1 1 45 45 PHE CB C 36 38.178 38.178 39.680 -1.502 18221
7606 1 15 . 1 1 45 45 PHE H H 36 8.215 8.215 8.272 -0.057 18221
7607 1 15 . 1 1 46 46 THR N N 37 114.008 114.008 114.084 -0.076 18221
7608 1 15 . 1 1 46 46 THR HA H 37 4.080 4.080 4.698 -0.618 18221
7609 1 15 . 1 1 46 46 THR C C 37 175.751 175.751 173.317 2.434 18221
7610 1 15 . 1 1 46 46 THR CA C 37 64.220 64.220 61.371 2.849 18221
7611 1 15 . 1 1 46 46 THR CB C 37 68.514 68.514 71.335 -2.821 18221
7612 1 15 . 1 1 46 46 THR H H 37 8.111 8.111 7.522 0.589 18221
7613 1 15 . 1 1 47 47 SER N N 38 116.646 116.646 115.959 0.687 18221
7614 1 15 . 1 1 47 47 SER HA H 38 3.918 3.918 4.409 -0.491 18221
7615 1 15 . 1 1 47 47 SER C C 38 176.744 176.744 174.873 1.871 18221
7616 1 15 . 1 1 47 47 SER CA C 38 59.911 59.911 59.645 0.266 18221
7617 1 15 . 1 1 47 47 SER CB C 38 62.624 62.624 62.469 0.155 18221
7618 1 15 . 1 1 47 47 SER H H 38 8.079 8.079 8.501 -0.422 18221
7619 1 15 . 1 1 48 48 VAL N N 39 121.929 121.929 123.160 -1.231 18221
7620 1 15 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.841 0.068 18221
7621 1 15 . 1 1 48 48 VAL C C 39 177.033 177.033 177.877 -0.844 18221
7622 1 15 . 1 1 48 48 VAL CA C 39 64.988 64.988 66.058 -1.070 18221
7623 1 15 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.183 -0.516 18221
7624 1 15 . 1 1 48 48 VAL H H 39 7.985 7.985 8.100 -0.115 18221
7625 1 15 . 1 1 49 49 GLY N N 40 108.633 108.633 108.115 0.518 18221
7626 1 15 . 1 1 49 49 GLY C C 40 176.038 176.038 176.170 -0.132 18221
7627 1 15 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.748 -0.883 18221
7628 1 15 . 1 1 49 49 GLY H H 40 8.267 8.267 8.437 -0.170 18221
7629 1 15 . 1 1 50 50 ILE N N 41 122.466 122.466 119.809 2.657 18221
7630 1 15 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.818 0.053 18221
7631 1 15 . 1 1 50 50 ILE C C 41 178.363 178.363 177.618 0.745 18221
7632 1 15 . 1 1 50 50 ILE CA C 41 63.515 63.515 63.307 0.208 18221
7633 1 15 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.119 0.119 18221
7634 1 15 . 1 1 50 50 ILE H H 41 7.865 7.865 7.842 0.023 18221
7635 1 15 . 1 1 51 51 ALA N N 42 125.064 125.064 121.902 3.162 18221
7636 1 15 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.942 0.157 18221
7637 1 15 . 1 1 51 51 ALA C C 42 179.385 179.385 179.493 -0.108 18221
7638 1 15 . 1 1 51 51 ALA CA C 42 54.480 54.480 54.995 -0.515 18221
7639 1 15 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.706 -0.219 18221
7640 1 15 . 1 1 51 51 ALA H H 42 7.930 7.930 7.782 0.148 18221
7641 1 15 . 1 1 52 52 ALA N N 43 120.594 120.594 120.299 0.295 18221
7642 1 15 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.109 -0.172 18221
7643 1 15 . 1 1 52 52 ALA C C 43 179.088 179.088 179.949 -0.861 18221
7644 1 15 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.776 0.324 18221
7645 1 15 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.144 -0.509 18221
7646 1 15 . 1 1 52 52 ALA H H 43 8.639 8.639 8.402 0.237 18221
7647 1 15 . 1 1 53 53 SER N N 44 113.012 113.012 114.412 -1.400 18221
7648 1 15 . 1 1 53 53 SER HA H 44 3.966 3.966 4.265 -0.299 18221
7649 1 15 . 1 1 53 53 SER C C 44 176.898 176.898 176.747 0.151 18221
7650 1 15 . 1 1 53 53 SER CA C 44 61.139 61.139 61.635 -0.496 18221
7651 1 15 . 1 1 53 53 SER CB C 44 62.347 62.347 63.146 -0.799 18221
7652 1 15 . 1 1 53 53 SER H H 44 8.193 8.193 8.108 0.085 18221
7653 1 15 . 1 1 54 54 SER N N 45 118.714 118.714 118.220 0.494 18221
7654 1 15 . 1 1 54 54 SER HA H 45 3.975 3.975 4.195 -0.220 18221
7655 1 15 . 1 1 54 54 SER C C 45 177.131 177.131 176.148 0.983 18221
7656 1 15 . 1 1 54 54 SER CA C 45 61.210 61.210 62.020 -0.810 18221
7657 1 15 . 1 1 54 54 SER CB C 45 62.255 62.255 63.098 -0.843 18221
7658 1 15 . 1 1 54 54 SER H H 45 7.944 7.944 8.317 -0.373 18221
7659 1 15 . 1 1 55 55 ILE N N 46 122.912 122.912 121.536 1.376 18221
7660 1 15 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.834 -0.077 18221
7661 1 15 . 1 1 55 55 ILE C C 46 177.813 177.813 175.967 1.846 18221
7662 1 15 . 1 1 55 55 ILE CA C 46 64.191 64.191 63.697 0.494 18221
7663 1 15 . 1 1 55 55 ILE CB C 46 36.926 36.926 38.049 -1.123 18221
7664 1 15 . 1 1 55 55 ILE H H 46 8.028 8.028 8.103 -0.075 18221
7665 1 15 . 1 1 56 56 ALA N N 47 122.990 122.990 121.308 1.682 18221
7666 1 15 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.077 -0.121 18221
7667 1 15 . 1 1 56 56 ALA C C 47 180.294 180.294 178.582 1.712 18221
7668 1 15 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.410 -0.072 18221
7669 1 15 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.621 -0.919 18221
7670 1 15 . 1 1 56 56 ALA H H 47 8.333 8.333 7.687 0.646 18221
7671 1 15 . 1 1 57 57 ALA N N 48 121.988 121.988 121.031 0.957 18221
7672 1 15 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.195 -0.127 18221
7673 1 15 . 1 1 57 57 ALA CA C 48 54.421 54.421 52.382 2.039 18221
7674 1 15 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.790 -2.088 18221
7675 1 15 . 1 1 57 57 ALA H H 48 7.879 7.879 7.784 0.095 18221
7676 1 15 . 1 1 58 58 LYS N N 49 119.094 119.094 115.737 3.357 18221
7677 1 15 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.991 0.155 18221
7678 1 15 . 1 1 58 58 LYS C C 49 179.649 179.649 175.686 3.963 18221
7679 1 15 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.251 0.906 18221
7680 1 15 . 1 1 58 58 LYS CB C 49 31.330 31.330 32.233 -0.903 18221
7681 1 15 . 1 1 58 58 LYS H H 49 7.727 7.727 8.341 -0.614 18221
7682 1 15 . 1 1 59 59 MET N N 50 120.498 120.498 119.378 1.120 18221
7683 1 15 . 1 1 59 59 MET HA H 50 4.156 4.156 4.215 -0.059 18221
7684 1 15 . 1 1 59 59 MET C C 50 177.949 177.949 175.026 2.923 18221
7685 1 15 . 1 1 59 59 MET CA C 50 57.136 57.136 56.594 0.542 18221
7686 1 15 . 1 1 59 59 MET CB C 50 31.922 31.922 32.207 -0.285 18221
7687 1 15 . 1 1 59 59 MET H H 50 8.395 8.395 8.202 0.193 18221
7688 1 15 . 1 1 60 60 MET N N 51 117.689 117.689 122.020 -4.331 18221
7689 1 15 . 1 1 60 60 MET HA H 51 4.222 4.222 4.585 -0.363 18221
7690 1 15 . 1 1 60 60 MET C C 51 177.674 177.674 174.623 3.051 18221
7691 1 15 . 1 1 60 60 MET CA C 51 57.638 57.638 55.038 2.600 18221
7692 1 15 . 1 1 60 60 MET CB C 51 31.785 31.785 34.065 -2.280 18221
7693 1 15 . 1 1 60 60 MET H H 51 8.234 8.234 7.999 0.235 18221
7694 1 15 . 1 1 61 61 SER N N 52 114.385 114.385 118.353 -3.968 18221
7695 1 15 . 1 1 61 61 SER HA H 52 4.001 4.001 4.736 -0.735 18221
7696 1 15 . 1 1 61 61 SER C C 52 176.079 176.079 174.709 1.370 18221
7697 1 15 . 1 1 61 61 SER CA C 52 59.911 59.911 59.642 0.268 18221
7698 1 15 . 1 1 61 61 SER CB C 52 62.624 62.624 64.400 -1.776 18221
7699 1 15 . 1 1 61 61 SER H H 52 7.893 7.893 8.642 -0.749 18221
7700 1 15 . 1 1 62 62 THR N N 53 117.304 117.304 116.308 0.996 18221
7701 1 15 . 1 1 62 62 THR HA H 53 4.104 4.104 4.516 -0.412 18221
7702 1 15 . 1 1 62 62 THR C C 53 175.436 175.436 174.876 0.560 18221
7703 1 15 . 1 1 62 62 THR CA C 53 64.220 64.220 62.830 1.390 18221
7704 1 15 . 1 1 62 62 THR CB C 53 68.514 68.514 69.853 -1.339 18221
7705 1 15 . 1 1 62 62 THR H H 53 7.794 7.794 7.631 0.163 18221
7706 1 15 . 1 1 63 63 ALA N N 54 125.382 125.382 124.543 0.839 18221
7707 1 15 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.080 0.014 18221
7708 1 15 . 1 1 63 63 ALA C C 54 178.328 178.328 176.149 2.179 18221
7709 1 15 . 1 1 63 63 ALA CA C 54 54.096 54.096 53.273 0.823 18221
7710 1 15 . 1 1 63 63 ALA CB C 54 17.708 17.708 17.881 -0.173 18221
7711 1 15 . 1 1 63 63 ALA H H 54 8.204 8.204 8.204 -0.000 18221
7712 1 15 . 1 1 64 64 ALA N N 55 119.929 119.929 121.316 -1.387 18221
7713 1 15 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.543 -0.418 18221
7714 1 15 . 1 1 64 64 ALA C C 55 179.183 179.183 175.364 3.819 18221
7715 1 15 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.096 1.941 18221
7716 1 15 . 1 1 64 64 ALA CB C 55 17.708 17.708 20.746 -3.038 18221
7717 1 15 . 1 1 64 64 ALA H H 55 7.951 7.951 7.979 -0.028 18221
7718 1 15 . 1 1 65 65 ILE N N 56 117.016 117.016 119.674 -2.658 18221
7719 1 15 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.248 -0.298 18221
7720 1 15 . 1 1 65 65 ILE C C 56 177.222 177.222 174.145 3.077 18221
7721 1 15 . 1 1 65 65 ILE CA C 56 62.184 62.184 61.923 0.261 18221
7722 1 15 . 1 1 65 65 ILE CB C 56 37.073 37.073 40.507 -3.434 18221
7723 1 15 . 1 1 65 65 ILE H H 56 7.561 7.561 8.100 -0.539 18221
7724 1 15 . 1 1 66 66 ALA N N 57 124.191 124.191 133.382 -9.191 18221
7725 1 15 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.734 -0.557 18221
7726 1 15 . 1 1 66 66 ALA C C 57 178.190 178.190 176.423 1.767 18221
7727 1 15 . 1 1 66 66 ALA CA C 57 53.536 53.536 51.964 1.573 18221
7728 1 15 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.063 -1.134 18221
7729 1 15 . 1 1 66 66 ALA H H 57 7.982 7.982 8.435 -0.453 18221
7730 1 15 . 1 1 67 67 ASN N N 58 116.132 116.132 122.185 -6.053 18221
7731 1 15 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.616 0.057 18221
7732 1 15 . 1 1 67 67 ASN C C 58 176.344 176.344 175.921 0.423 18221
7733 1 15 . 1 1 67 67 ASN CA C 58 53.477 53.477 52.794 0.683 18221
7734 1 15 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.409 0.063 18221
7735 1 15 . 1 1 67 67 ASN H H 58 8.113 8.113 8.362 -0.249 18221
7736 1 15 . 1 1 68 68 GLY N N 59 108.808 108.808 112.756 -3.948 18221
7737 1 15 . 1 1 68 68 GLY C C 59 174.958 174.958 174.479 0.479 18221
7738 1 15 . 1 1 68 68 GLY CA C 59 45.655 45.655 46.369 -0.714 18221
7739 1 15 . 1 1 68 68 GLY H H 59 8.152 8.152 8.571 -0.419 18221
7740 1 15 . 1 1 69 69 GLY N N 60 108.832 108.832 111.913 -3.081 18221
7741 1 15 . 1 1 69 69 GLY C C 60 174.631 174.631 173.988 0.643 18221
7742 1 15 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.509 0.910 18221
7743 1 15 . 1 1 69 69 GLY H H 60 8.218 8.218 8.086 0.132 18221
7744 1 15 . 1 1 70 70 GLY N N 61 108.966 108.966 109.583 -0.617 18221
7745 1 15 . 1 1 70 70 GLY C C 61 174.594 174.594 174.337 0.257 18221
7746 1 15 . 1 1 70 70 GLY CA C 61 45.360 45.360 43.739 1.621 18221
7747 1 15 . 1 1 70 70 GLY H H 61 8.175 8.175 7.923 0.252 18221
7748 1 15 . 1 1 71 71 VAL N N 62 120.209 120.209 118.461 1.748 18221
7749 1 15 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.933 0.073 18221
7750 1 15 . 1 1 71 71 VAL C C 62 176.077 176.077 177.347 -1.270 18221
7751 1 15 . 1 1 71 71 VAL CA C 62 62.390 62.390 62.212 0.178 18221
7752 1 15 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.776 -1.078 18221
7753 1 15 . 1 1 71 71 VAL H H 62 7.882 7.882 8.277 -0.395 18221
7754 1 15 . 1 1 72 72 ALA N N 63 126.966 126.966 125.277 1.689 18221
7755 1 15 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.213 -0.187 18221
7756 1 15 . 1 1 72 72 ALA C C 63 178.064 178.064 176.028 2.036 18221
7757 1 15 . 1 1 72 72 ALA CA C 63 52.503 52.503 53.187 -0.684 18221
7758 1 15 . 1 1 72 72 ALA CB C 63 18.225 18.225 16.985 1.240 18221
7759 1 15 . 1 1 72 72 ALA H H 63 8.237 8.237 8.661 -0.424 18221
7760 1 15 . 1 1 73 73 ALA N N 64 123.432 123.432 123.344 0.088 18221
7761 1 15 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.424 -0.409 18221
7762 1 15 . 1 1 73 73 ALA C C 64 178.995 178.995 177.527 1.468 18221
7763 1 15 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.454 1.967 18221
7764 1 15 . 1 1 73 73 ALA CB C 64 18.003 18.003 19.805 -1.802 18221
7765 1 15 . 1 1 73 73 ALA H H 64 8.421 8.421 8.610 -0.189 18221
7766 1 15 . 1 1 74 74 GLY N N 65 105.577 105.577 107.645 -2.068 18221
7767 1 15 . 1 1 74 74 GLY C C 65 176.367 176.367 176.063 0.304 18221
7768 1 15 . 1 1 74 74 GLY CA C 65 46.244 46.244 45.521 0.723 18221
7769 1 15 . 1 1 74 74 GLY H H 65 8.448 8.448 8.021 0.427 18221
7770 1 15 . 1 1 75 75 SER N N 66 117.656 117.656 117.863 -0.207 18221
7771 1 15 . 1 1 75 75 SER HA H 66 4.394 4.394 4.247 0.147 18221
7772 1 15 . 1 1 75 75 SER C C 66 176.329 176.329 176.842 -0.513 18221
7773 1 15 . 1 1 75 75 SER CA C 66 60.236 60.236 60.844 -0.608 18221
7774 1 15 . 1 1 75 75 SER CB C 66 62.476 62.476 63.063 -0.587 18221
7775 1 15 . 1 1 75 75 SER H H 66 7.899 7.899 8.577 -0.678 18221
7776 1 15 . 1 1 76 76 LEU N N 67 122.743 122.743 121.458 1.285 18221
7777 1 15 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.994 0.056 18221
7778 1 15 . 1 1 76 76 LEU C C 67 178.442 178.442 178.477 -0.035 18221
7779 1 15 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.803 -0.283 18221
7780 1 15 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.243 -0.562 18221
7781 1 15 . 1 1 76 76 LEU H H 67 7.955 7.955 8.181 -0.226 18221
7782 1 15 . 1 1 77 77 VAL N N 68 118.400 118.400 119.078 -0.678 18221
7783 1 15 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.449 0.022 18221
7784 1 15 . 1 1 77 77 VAL C C 68 177.297 177.297 177.464 -0.167 18221
7785 1 15 . 1 1 77 77 VAL CA C 68 66.670 66.670 67.123 -0.453 18221
7786 1 15 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.096 -0.576 18221
7787 1 15 . 1 1 77 77 VAL H H 68 8.039 8.039 8.141 -0.102 18221
7788 1 15 . 1 1 78 78 ALA N N 69 121.927 121.927 121.646 0.281 18221
7789 1 15 . 1 1 78 78 ALA HA H 69 4.205 4.205 3.975 0.230 18221
7790 1 15 . 1 1 78 78 ALA C C 69 181.258 181.258 179.982 1.276 18221
7791 1 15 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.100 -0.118 18221
7792 1 15 . 1 1 78 78 ALA CB C 69 17.414 17.414 17.989 -0.575 18221
7793 1 15 . 1 1 78 78 ALA H H 69 7.631 7.631 7.951 -0.320 18221
7794 1 15 . 1 1 79 79 ILE N N 70 119.782 119.782 119.512 0.270 18221
7795 1 15 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.630 0.166 18221
7796 1 15 . 1 1 79 79 ILE C C 70 178.253 178.253 177.852 0.401 18221
7797 1 15 . 1 1 79 79 ILE CA C 70 64.352 64.352 64.774 -0.422 18221
7798 1 15 . 1 1 79 79 ILE CB C 70 37.073 37.073 38.066 -0.994 18221
7799 1 15 . 1 1 79 79 ILE H H 70 7.841 7.841 7.576 0.265 18221
7800 1 15 . 1 1 80 80 LEU N N 71 120.841 120.841 120.235 0.606 18221
7801 1 15 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.714 0.223 18221
7802 1 15 . 1 1 80 80 LEU C C 71 179.234 179.234 178.527 0.707 18221
7803 1 15 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.506 -0.661 18221
7804 1 15 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.842 -1.823 18221
7805 1 15 . 1 1 80 80 LEU H H 71 8.190 8.190 8.201 -0.011 18221
7806 1 15 . 1 1 81 81 GLN N N 72 117.558 117.558 117.446 0.112 18221
7807 1 15 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.862 0.107 18221
7808 1 15 . 1 1 81 81 GLN C C 72 178.530 178.530 178.561 -0.031 18221
7809 1 15 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.227 -0.408 18221
7810 1 15 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.631 -1.351 18221
7811 1 15 . 1 1 81 81 GLN H H 72 8.489 8.489 8.409 0.080 18221
7812 1 15 . 1 1 82 82 SER N N 73 116.103 116.103 115.150 0.953 18221
7813 1 15 . 1 1 82 82 SER HA H 73 4.233 4.233 4.130 0.103 18221
7814 1 15 . 1 1 82 82 SER C C 73 177.243 177.243 176.968 0.275 18221
7815 1 15 . 1 1 82 82 SER CA C 73 61.044 61.044 62.118 -1.074 18221
7816 1 15 . 1 1 82 82 SER CB C 73 62.257 62.257 63.128 -0.871 18221
7817 1 15 . 1 1 82 82 SER H H 73 7.855 7.855 7.955 -0.100 18221
7818 1 15 . 1 1 83 83 VAL N N 74 120.362 120.362 121.135 -0.773 18221
7819 1 15 . 1 1 83 83 VAL C C 74 177.979 177.979 177.504 0.475 18221
7820 1 15 . 1 1 83 83 VAL CA C 74 65.106 65.106 66.249 -1.143 18221
7821 1 15 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.356 -0.615 18221
7822 1 15 . 1 1 83 83 VAL H H 74 8.030 8.030 8.201 -0.171 18221
7823 1 15 . 1 1 84 84 GLY N N 75 108.223 108.223 106.466 1.757 18221
7824 1 15 . 1 1 84 84 GLY C C 75 174.913 174.913 175.496 -0.583 18221
7825 1 15 . 1 1 84 84 GLY CA C 75 46.777 46.777 46.923 -0.146 18221
7826 1 15 . 1 1 84 84 GLY H H 75 8.369 8.369 7.756 0.613 18221
7827 1 15 . 1 1 85 85 ALA N N 76 123.550 123.550 124.448 -0.898 18221
7828 1 15 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.035 0.059 18221
7829 1 15 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.950 -0.352 18221
7830 1 15 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.260 -0.637 18221
7831 1 15 . 1 1 85 85 ALA H H 76 8.115 8.115 8.111 0.004 18221
7832 1 15 . 1 1 86 86 ALA N N 77 120.410 120.410 120.872 -0.462 18221
7833 1 15 . 1 1 86 86 ALA C C 77 178.988 178.988 179.650 -0.662 18221
7834 1 15 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.263 -0.427 18221
7835 1 15 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.864 -0.354 18221
7836 1 15 . 1 1 86 86 ALA H H 77 8.632 8.632 8.286 0.346 18221
7837 1 15 . 1 1 87 87 GLY N N 78 105.706 105.706 107.681 -1.975 18221
7838 1 15 . 1 1 87 87 GLY C C 78 175.939 175.939 176.285 -0.346 18221
7839 1 15 . 1 1 87 87 GLY CA C 78 46.118 46.118 47.133 -1.015 18221
7840 1 15 . 1 1 87 87 GLY H H 78 8.196 8.196 7.795 0.401 18221
7841 1 15 . 1 1 88 88 LEU N N 79 124.128 124.128 121.578 2.550 18221
7842 1 15 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.905 -0.503 18221
7843 1 15 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.804 -1.417 18221
7844 1 15 . 1 1 88 88 LEU H H 79 8.449 8.449 8.069 0.380 18221
7845 1 15 . 1 1 89 89 SER N N 80 116.251 116.251 114.670 1.581 18221
7846 1 15 . 1 1 89 89 SER C C 80 179.153 179.153 176.465 2.688 18221
7847 1 15 . 1 1 89 89 SER CA C 80 61.023 61.023 62.105 -1.082 18221
7848 1 15 . 1 1 89 89 SER CB C 80 62.255 62.255 63.022 -0.767 18221
7849 1 15 . 1 1 89 89 SER H H 80 8.120 8.120 8.224 -0.104 18221
7850 1 15 . 1 1 90 90 VAL N N 81 119.310 119.310 121.251 -1.941 18221
7851 1 15 . 1 1 90 90 VAL C C 81 177.652 177.652 177.775 -0.123 18221
7852 1 15 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.657 -0.581 18221
7853 1 15 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.330 0.000 18221
7854 1 15 . 1 1 90 90 VAL H H 81 7.955 7.955 8.242 -0.287 18221
7855 1 15 . 1 1 91 91 THR N N 82 115.535 115.535 116.521 -0.986 18221
7856 1 15 . 1 1 91 91 THR C C 82 176.571 176.571 176.782 -0.211 18221
7857 1 15 . 1 1 91 91 THR CA C 82 66.434 66.434 66.291 0.143 18221
7858 1 15 . 1 1 91 91 THR CB C 82 67.742 67.742 68.199 -0.457 18221
7859 1 15 . 1 1 91 91 THR H H 82 7.888 7.888 8.445 -0.557 18221
7860 1 15 . 1 1 92 92 SER N N 83 116.537 116.537 117.355 -0.818 18221
7861 1 15 . 1 1 92 92 SER HA H 83 4.040 4.040 3.984 0.056 18221
7862 1 15 . 1 1 92 92 SER C C 83 176.761 176.761 176.586 0.175 18221
7863 1 15 . 1 1 92 92 SER CA C 83 61.564 61.564 61.832 -0.268 18221
7864 1 15 . 1 1 92 92 SER CB C 83 62.009 62.009 62.979 -0.970 18221
7865 1 15 . 1 1 92 92 SER H H 83 8.212 8.212 7.964 0.248 18221
7866 1 15 . 1 1 93 93 LYS N N 84 122.353 122.353 121.063 1.290 18221
7867 1 15 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.973 0.146 18221
7868 1 15 . 1 1 93 93 LYS C C 84 172.812 172.812 179.170 -6.358 18221
7869 1 15 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.637 -1.202 18221
7870 1 15 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.436 -0.959 18221
7871 1 15 . 1 1 93 93 LYS H H 84 7.642 7.642 8.107 -0.465 18221
7872 1 15 . 1 1 94 94 VAL N N 85 119.348 119.348 118.237 1.111 18221
7873 1 15 . 1 1 94 94 VAL C C 85 177.948 177.948 177.771 0.177 18221
7874 1 15 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.506 -0.117 18221
7875 1 15 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.962 -0.116 18221
7876 1 15 . 1 1 94 94 VAL H H 85 8.414 8.414 7.759 0.655 18221
7877 1 15 . 1 1 95 95 ILE N N 86 118.769 118.769 117.294 1.475 18221
7878 1 15 . 1 1 95 95 ILE C C 86 177.972 177.972 176.773 1.199 18221
7879 1 15 . 1 1 95 95 ILE CA C 86 63.837 63.837 62.271 1.566 18221
7880 1 15 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.081 -1.448 18221
7881 1 15 . 1 1 95 95 ILE H H 86 8.169 8.169 7.883 0.286 18221
7882 1 15 . 1 1 96 96 GLY N N 87 107.955 107.955 104.110 3.845 18221
7883 1 15 . 1 1 96 96 GLY C C 87 176.571 176.571 174.143 2.428 18221
7884 1 15 . 1 1 96 96 GLY CA C 87 46.511 46.511 45.112 1.399 18221
7885 1 15 . 1 1 96 96 GLY H H 87 8.182 8.182 8.342 -0.160 18221
7886 1 15 . 1 1 97 97 GLY N N 88 109.117 109.117 110.010 -0.893 18221
7887 1 15 . 1 1 97 97 GLY C C 88 175.524 175.524 175.035 0.489 18221
7888 1 15 . 1 1 97 97 GLY CA C 88 45.832 45.832 45.061 0.771 18221
7889 1 15 . 1 1 97 97 GLY H H 88 7.953 7.953 7.872 0.081 18221
7890 1 15 . 1 1 98 98 PHE N N 89 121.100 121.100 120.603 0.497 18221
7891 1 15 . 1 1 98 98 PHE C C 89 176.367 176.367 176.082 0.285 18221
7892 1 15 . 1 1 98 98 PHE CA C 89 56.900 56.900 58.103 -1.203 18221
7893 1 15 . 1 1 98 98 PHE CB C 89 38.832 38.832 38.626 0.206 18221
7894 1 15 . 1 1 98 98 PHE H H 89 8.000 8.000 8.050 -0.050 18221
7895 1 15 . 1 1 99 99 ALA N N 90 122.834 122.834 121.807 1.027 18221
7896 1 15 . 1 1 99 99 ALA C C 90 178.348 178.348 176.535 1.813 18221
7897 1 15 . 1 1 99 99 ALA CA C 90 55.277 55.277 51.869 3.408 18221
7898 1 15 . 1 1 99 99 ALA CB C 90 17.414 17.414 18.230 -0.816 18221
7899 1 15 . 1 1 99 99 ALA H H 90 8.322 8.322 6.650 1.672 18221
7900 1 15 . 1 1 100 100 GLY N N 91 106.688 106.688 111.340 -4.652 18221
7901 1 15 . 1 1 100 100 GLY C C 91 175.878 175.878 174.171 1.707 18221
7902 1 15 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.416 0.209 18221
7903 1 15 . 1 1 100 100 GLY H H 91 8.000 8.000 8.116 -0.116 18221
7904 1 15 . 1 1 101 101 THR N N 92 115.689 115.689 115.926 -0.237 18221
7905 1 15 . 1 1 101 101 THR C C 92 178.476 178.476 173.274 5.202 18221
7906 1 15 . 1 1 101 101 THR CA C 92 63.364 63.364 63.178 0.186 18221
7907 1 15 . 1 1 101 101 THR CB C 92 69.619 69.619 68.388 1.231 18221
7908 1 15 . 1 1 101 101 THR H H 92 7.754 7.754 8.263 -0.509 18221
7909 1 15 . 1 1 102 102 ALA N N 93 124.835 124.835 123.559 1.276 18221
7910 1 15 . 1 1 102 102 ALA CA C 93 54.311 54.311 51.503 2.808 18221
7911 1 15 . 1 1 102 102 ALA CB C 93 17.679 17.679 20.883 -3.204 18221
7912 1 15 . 1 1 102 102 ALA H H 93 7.919 7.919 7.626 0.293 18221
7913 1 15 . 1 1 103 103 LEU N N 94 117.445 117.445 120.188 -2.743 18221
7914 1 15 . 1 1 103 103 LEU CA C 94 56.782 56.782 54.887 1.895 18221
7915 1 15 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.285 -0.383 18221
7916 1 15 . 1 1 103 103 LEU H H 94 8.037 8.037 8.634 -0.597 18221
7917 1 15 . 1 1 104 104 GLY N N 95 106.296 106.296 111.865 -5.569 18221
7918 1 15 . 1 1 104 104 GLY C C 95 175.851 175.851 174.009 1.842 18221
7919 1 15 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.785 1.784 18221
7920 1 15 . 1 1 104 104 GLY H H 95 7.900 7.900 8.020 -0.120 18221
7921 1 15 . 1 1 105 105 ALA N N 96 123.872 123.872 125.583 -1.711 18221
7922 1 15 . 1 1 105 105 ALA CA C 96 54.126 54.126 51.203 2.923 18221
7923 1 15 . 1 1 105 105 ALA CB C 96 17.587 17.587 17.462 0.125 18221
7924 1 15 . 1 1 105 105 ALA H H 96 7.804 7.804 8.227 -0.423 18221
7925 1 15 . 1 1 106 106 TRP N N 97 120.348 120.348 119.606 0.742 18221
7926 1 15 . 1 1 106 106 TRP C C 97 176.857 176.857 174.850 2.007 18221
7927 1 15 . 1 1 106 106 TRP CA C 97 56.900 56.900 57.445 -0.545 18221
7928 1 15 . 1 1 106 106 TRP H H 97 8.385 8.385 7.544 0.841 18221
7929 1 15 . 1 1 107 107 LEU N N 98 117.756 117.756 120.484 -2.728 18221
7930 1 15 . 1 1 107 107 LEU C C 98 177.659 177.659 177.293 0.366 18221
7931 1 15 . 1 1 107 107 LEU CA C 98 55.103 55.103 54.294 0.809 18221
7932 1 15 . 1 1 107 107 LEU CB C 98 41.418 41.418 43.013 -1.595 18221
7933 1 15 . 1 1 107 107 LEU H H 98 7.880 7.880 8.390 -0.510 18221
7934 1 15 . 1 1 108 108 GLY N N 99 107.285 107.285 107.375 -0.090 18221
7935 1 15 . 1 1 108 108 GLY C C 99 173.815 173.815 173.426 0.389 18221
7936 1 15 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.729 0.218 18221
7937 1 15 . 1 1 108 108 GLY H H 99 7.694 7.694 8.403 -0.709 18221
7938 1 15 . 1 1 109 109 SER N N 100 117.139 117.139 116.460 0.679 18221
7939 1 15 . 1 1 109 109 SER C C 100 172.179 172.179 172.759 -0.580 18221
7940 1 15 . 1 1 109 109 SER CA C 100 56.015 56.015 57.755 -1.740 18221
7941 1 15 . 1 1 109 109 SER CB C 100 62.771 62.771 63.807 -1.036 18221
7942 1 15 . 1 1 109 109 SER H H 100 8.030 8.030 8.338 -0.308 18221
7943 1 15 . 1 1 111 111 PRO C C 102 177.073 177.073 176.280 0.793 18221
7944 1 15 . 1 1 111 111 PRO CA C 102 62.199 62.199 62.512 -0.313 18221
7945 1 15 . 1 1 111 111 PRO CB C 102 31.211 31.211 29.724 1.487 18221
7946 1 15 . 1 1 112 112 SER N N 103 117.115 117.115 116.370 0.745 18221
7947 1 15 . 1 1 112 112 SER C C 103 173.898 173.898 173.933 -0.035 18221
7948 1 15 . 1 1 112 112 SER CA C 103 57.904 57.904 59.053 -1.149 18221
7949 1 15 . 1 1 112 112 SER CB C 103 63.360 63.360 63.425 -0.065 18221
7950 1 15 . 1 1 112 112 SER H H 103 8.345 8.345 8.329 0.016 18221
7951 1 16 . 1 1 11 11 GLY N N 2 109.366 109.366 111.063 -1.697 18221
7952 1 16 . 1 1 11 11 GLY C C 2 174.543 174.543 174.020 0.523 18221
7953 1 16 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.459 0.236 18221
7954 1 16 . 1 1 11 11 GLY H H 2 8.271 8.271 8.622 -0.351 18221
7955 1 16 . 1 1 12 12 LYS N N 3 121.129 121.129 119.467 1.662 18221
7956 1 16 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.469 -0.337 18221
7957 1 16 . 1 1 12 12 LYS C C 3 177.234 177.234 175.216 2.018 18221
7958 1 16 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.831 -0.019 18221
7959 1 16 . 1 1 12 12 LYS CB C 3 31.846 31.846 32.560 -0.714 18221
7960 1 16 . 1 1 12 12 LYS H H 3 8.057 8.057 7.677 0.380 18221
7961 1 16 . 1 1 13 13 GLU N N 4 120.318 120.318 120.984 -0.666 18221
7962 1 16 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.424 -0.269 18221
7963 1 16 . 1 1 13 13 GLU C C 4 176.857 176.857 175.747 1.110 18221
7964 1 16 . 1 1 13 13 GLU CA C 4 56.871 56.871 56.652 0.219 18221
7965 1 16 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.186 -1.798 18221
7966 1 16 . 1 1 13 13 GLU H H 4 8.398 8.398 8.378 0.020 18221
7967 1 16 . 1 1 14 14 SER N N 5 115.504 115.504 116.204 -0.700 18221
7968 1 16 . 1 1 14 14 SER HA H 5 3.843 3.843 4.374 -0.531 18221
7969 1 16 . 1 1 14 14 SER C C 5 175.337 175.337 174.202 1.135 18221
7970 1 16 . 1 1 14 14 SER CA C 5 58.524 58.524 58.555 -0.031 18221
7971 1 16 . 1 1 14 14 SER CB C 5 63.360 63.360 63.051 0.309 18221
7972 1 16 . 1 1 14 14 SER H H 5 8.089 8.089 8.041 0.048 18221
7973 1 16 . 1 1 15 15 GLY N N 6 110.761 110.761 112.130 -1.369 18221
7974 1 16 . 1 1 15 15 GLY C C 6 174.581 174.581 175.293 -0.712 18221
7975 1 16 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.563 0.003 18221
7976 1 16 . 1 1 15 15 GLY H H 6 8.197 8.197 8.563 -0.366 18221
7977 1 16 . 1 1 16 16 TRP N N 7 121.800 121.800 123.405 -1.605 18221
7978 1 16 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.511 0.049 18221
7979 1 16 . 1 1 16 16 TRP C C 7 176.920 176.920 176.612 0.308 18221
7980 1 16 . 1 1 16 16 TRP CA C 7 58.081 58.081 58.840 -0.759 18221
7981 1 16 . 1 1 16 16 TRP CB C 7 28.679 28.679 29.636 -0.957 18221
7982 1 16 . 1 1 16 16 TRP H H 7 8.184 8.184 8.040 0.144 18221
7983 1 16 . 1 1 17 17 ASP N N 8 121.132 121.132 117.189 3.943 18221
7984 1 16 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.504 -0.109 18221
7985 1 16 . 1 1 17 17 ASP C C 8 176.941 176.941 174.979 1.962 18221
7986 1 16 . 1 1 17 17 ASP CA C 8 56.244 56.244 54.996 1.248 18221
7987 1 16 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.041 -1.096 18221
7988 1 16 . 1 1 17 17 ASP H H 8 8.332 8.332 8.145 0.187 18221
7989 1 16 . 1 1 18 18 SER N N 9 116.148 116.148 116.562 -0.414 18221
7990 1 16 . 1 1 18 18 SER HA H 9 3.861 3.861 4.343 -0.482 18221
7991 1 16 . 1 1 18 18 SER CA C 9 60.081 60.081 58.547 1.534 18221
7992 1 16 . 1 1 18 18 SER CB C 9 62.255 62.255 65.113 -2.858 18221
7993 1 16 . 1 1 18 18 SER H H 9 8.129 8.129 8.530 -0.401 18221
7994 1 16 . 1 1 19 19 GLY N N 10 110.747 110.747 112.029 -1.282 18221
7995 1 16 . 1 1 19 19 GLY C C 10 174.682 174.682 174.774 -0.092 18221
7996 1 16 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.465 1.135 18221
7997 1 16 . 1 1 19 19 GLY H H 10 8.216 8.216 8.458 -0.242 18221
7998 1 16 . 1 1 20 20 ARG N N 11 121.405 121.405 119.810 1.595 18221
7999 1 16 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.214 -0.357 18221
8000 1 16 . 1 1 20 20 ARG C C 11 178.328 178.328 178.813 -0.485 18221
8001 1 16 . 1 1 20 20 ARG CA C 11 59.085 59.085 57.980 1.105 18221
8002 1 16 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.231 -1.184 18221
8003 1 16 . 1 1 20 20 ARG H H 11 8.158 8.158 8.519 -0.361 18221
8004 1 16 . 1 1 21 21 ALA N N 12 122.167 122.167 121.662 0.505 18221
8005 1 16 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.056 0.044 18221
8006 1 16 . 1 1 21 21 ALA C C 12 180.129 180.129 179.270 0.859 18221
8007 1 16 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.514 -0.122 18221
8008 1 16 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.909 -0.495 18221
8009 1 16 . 1 1 21 21 ALA H H 12 7.963 7.963 8.382 -0.419 18221
8010 1 16 . 1 1 22 22 ALA N N 13 122.150 122.150 122.138 0.012 18221
8011 1 16 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.805 0.232 18221
8012 1 16 . 1 1 22 22 ALA C C 13 179.095 179.095 179.230 -0.135 18221
8013 1 16 . 1 1 22 22 ALA CA C 13 54.716 54.716 55.153 -0.437 18221
8014 1 16 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.198 -0.637 18221
8015 1 16 . 1 1 22 22 ALA H H 13 7.881 7.881 7.472 0.409 18221
8016 1 16 . 1 1 23 23 VAL N N 14 117.107 117.107 117.290 -0.183 18221
8017 1 16 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.605 -0.125 18221
8018 1 16 . 1 1 23 23 VAL C C 14 177.586 177.586 177.810 -0.224 18221
8019 1 16 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.353 0.845 18221
8020 1 16 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.215 0.305 18221
8021 1 16 . 1 1 23 23 VAL H H 14 7.888 7.888 8.097 -0.209 18221
8022 1 16 . 1 1 24 24 ALA N N 15 121.333 121.333 122.685 -1.352 18221
8023 1 16 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.919 0.062 18221
8024 1 16 . 1 1 24 24 ALA C C 15 180.373 180.373 179.302 1.071 18221
8025 1 16 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.138 -0.127 18221
8026 1 16 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.720 -0.468 18221
8027 1 16 . 1 1 24 24 ALA H H 15 8.037 8.037 7.836 0.201 18221
8028 1 16 . 1 1 25 25 ALA N N 16 121.158 121.158 120.480 0.678 18221
8029 1 16 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.126 0.020 18221
8030 1 16 . 1 1 25 25 ALA C C 16 179.828 179.828 179.071 0.757 18221
8031 1 16 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.849 -0.398 18221
8032 1 16 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.350 -0.863 18221
8033 1 16 . 1 1 25 25 ALA H H 16 7.819 7.819 7.777 0.042 18221
8034 1 16 . 1 1 26 26 VAL N N 17 118.417 118.417 115.464 2.953 18221
8035 1 16 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.944 -0.166 18221
8036 1 16 . 1 1 26 26 VAL C C 17 178.020 178.020 176.686 1.334 18221
8037 1 16 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.593 1.985 18221
8038 1 16 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.275 -0.190 18221
8039 1 16 . 1 1 26 26 VAL H H 17 7.848 7.848 7.850 -0.002 18221
8040 1 16 . 1 1 27 27 VAL N N 18 119.240 119.240 119.454 -0.214 18221
8041 1 16 . 1 1 27 27 VAL C C 18 177.719 177.719 176.761 0.958 18221
8042 1 16 . 1 1 27 27 VAL CA C 18 65.991 65.991 63.375 2.616 18221
8043 1 16 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.210 -2.023 18221
8044 1 16 . 1 1 27 27 VAL H H 18 8.377 8.377 7.393 0.984 18221
8045 1 16 . 1 1 28 28 GLY N N 19 106.009 106.009 106.672 -0.663 18221
8046 1 16 . 1 1 28 28 GLY C C 19 176.212 176.212 174.536 1.676 18221
8047 1 16 . 1 1 28 28 GLY CA C 19 46.244 46.244 47.227 -0.983 18221
8048 1 16 . 1 1 28 28 GLY H H 19 8.122 8.122 8.079 0.043 18221
8049 1 16 . 1 1 29 29 GLY N N 20 110.216 110.216 112.478 -2.262 18221
8050 1 16 . 1 1 29 29 GLY C C 20 174.097 174.097 175.602 -1.505 18221
8051 1 16 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.803 1.530 18221
8052 1 16 . 1 1 29 29 GLY H H 20 8.039 8.039 7.987 0.052 18221
8053 1 16 . 1 1 30 30 VAL N N 21 121.188 121.188 119.974 1.214 18221
8054 1 16 . 1 1 30 30 VAL C C 21 177.073 177.073 177.690 -0.617 18221
8055 1 16 . 1 1 30 30 VAL CA C 21 62.574 62.574 66.216 -3.642 18221
8056 1 16 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.303 -0.513 18221
8057 1 16 . 1 1 30 30 VAL H H 21 7.983 7.983 7.579 0.404 18221
8058 1 16 . 1 1 32 32 ALA N N 23 125.091 125.091 121.670 3.421 18221
8059 1 16 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.007 0.253 18221
8060 1 16 . 1 1 32 32 ALA C C 23 179.523 179.523 179.411 0.112 18221
8061 1 16 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.210 -1.527 18221
8062 1 16 . 1 1 32 32 ALA CB C 23 16.383 16.383 17.956 -1.573 18221
8063 1 16 . 1 1 32 32 ALA H H 23 8.036 8.036 7.859 0.177 18221
8064 1 16 . 1 1 33 33 VAL N N 24 118.793 118.793 115.459 3.334 18221
8065 1 16 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.779 -0.071 18221
8066 1 16 . 1 1 33 33 VAL C C 24 177.901 177.901 177.990 -0.089 18221
8067 1 16 . 1 1 33 33 VAL CA C 24 65.430 65.430 65.529 -0.099 18221
8068 1 16 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.065 0.253 18221
8069 1 16 . 1 1 33 33 VAL H H 24 8.195 8.195 8.145 0.050 18221
8070 1 16 . 1 1 34 34 GLY N N 25 108.367 108.367 109.514 -1.147 18221
8071 1 16 . 1 1 34 34 GLY C C 25 175.424 175.424 175.942 -0.518 18221
8072 1 16 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.427 -0.093 18221
8073 1 16 . 1 1 34 34 GLY H H 25 8.651 8.651 8.324 0.327 18221
8074 1 16 . 1 1 35 35 THR N N 26 116.448 116.448 119.586 -3.138 18221
8075 1 16 . 1 1 35 35 THR C C 26 176.843 176.843 176.616 0.227 18221
8076 1 16 . 1 1 35 35 THR CA C 26 65.962 65.962 66.474 -0.512 18221
8077 1 16 . 1 1 35 35 THR CB C 26 68.414 68.414 68.382 0.032 18221
8078 1 16 . 1 1 35 35 THR H H 26 7.975 7.975 8.373 -0.398 18221
8079 1 16 . 1 1 36 36 VAL N N 27 122.810 122.810 122.271 0.539 18221
8080 1 16 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.593 0.126 18221
8081 1 16 . 1 1 36 36 VAL C C 27 177.618 177.618 177.245 0.373 18221
8082 1 16 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.334 -0.608 18221
8083 1 16 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.685 -1.018 18221
8084 1 16 . 1 1 36 36 VAL H H 27 7.559 7.559 8.122 -0.563 18221
8085 1 16 . 1 1 37 37 LEU N N 28 119.566 119.566 120.219 -0.653 18221
8086 1 16 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.942 0.011 18221
8087 1 16 . 1 1 37 37 LEU C C 28 179.666 179.666 178.697 0.969 18221
8088 1 16 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.032 -0.187 18221
8089 1 16 . 1 1 37 37 LEU CB C 28 40.166 40.166 42.042 -1.876 18221
8090 1 16 . 1 1 37 37 LEU H H 28 8.086 8.086 7.745 0.341 18221
8091 1 16 . 1 1 38 38 VAL N N 29 119.468 119.468 118.811 0.657 18221
8092 1 16 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.502 0.151 18221
8093 1 16 . 1 1 38 38 VAL C C 29 178.639 178.639 177.572 1.067 18221
8094 1 16 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.572 -1.099 18221
8095 1 16 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.414 -0.805 18221
8096 1 16 . 1 1 38 38 VAL H H 29 8.066 8.066 8.155 -0.089 18221
8097 1 16 . 1 1 39 39 ALA N N 30 124.255 124.255 122.144 2.111 18221
8098 1 16 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.152 0.013 18221
8099 1 16 . 1 1 39 39 ALA C C 30 180.303 180.303 178.863 1.440 18221
8100 1 16 . 1 1 39 39 ALA CA C 30 54.834 54.834 54.758 0.076 18221
8101 1 16 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.444 -0.736 18221
8102 1 16 . 1 1 39 39 ALA H H 30 7.688 7.688 7.810 -0.122 18221
8103 1 16 . 1 1 40 40 LEU N N 31 118.268 118.268 118.010 0.258 18221
8104 1 16 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.121 0.020 18221
8105 1 16 . 1 1 40 40 LEU C C 31 179.271 179.271 178.138 1.133 18221
8106 1 16 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.060 0.018 18221
8107 1 16 . 1 1 40 40 LEU CB C 31 40.902 40.902 42.348 -1.446 18221
8108 1 16 . 1 1 40 40 LEU H H 31 8.326 8.326 7.890 0.436 18221
8109 1 16 . 1 1 41 41 SER N N 32 114.984 114.984 113.445 1.539 18221
8110 1 16 . 1 1 41 41 SER HA H 32 3.952 3.952 4.416 -0.464 18221
8111 1 16 . 1 1 41 41 SER C C 32 176.284 176.284 174.986 1.298 18221
8112 1 16 . 1 1 41 41 SER CA C 32 60.885 60.885 60.214 0.671 18221
8113 1 16 . 1 1 41 41 SER CB C 32 62.410 62.410 63.988 -1.578 18221
8114 1 16 . 1 1 41 41 SER H H 32 8.062 8.062 7.913 0.149 18221
8115 1 16 . 1 1 42 42 ALA N N 33 124.588 124.588 122.746 1.842 18221
8116 1 16 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.176 0.049 18221
8117 1 16 . 1 1 42 42 ALA C C 33 179.033 179.033 177.963 1.070 18221
8118 1 16 . 1 1 42 42 ALA CA C 33 53.713 53.713 53.233 0.480 18221
8119 1 16 . 1 1 42 42 ALA CB C 33 17.929 17.929 18.999 -1.070 18221
8120 1 16 . 1 1 42 42 ALA H H 33 7.813 7.813 7.865 -0.052 18221
8121 1 16 . 1 1 43 43 MET N N 34 116.808 116.808 115.040 1.768 18221
8122 1 16 . 1 1 43 43 MET HA H 34 4.285 4.285 4.193 0.092 18221
8123 1 16 . 1 1 43 43 MET C C 34 176.807 176.807 175.676 1.131 18221
8124 1 16 . 1 1 43 43 MET CA C 34 56.576 56.576 56.035 0.541 18221
8125 1 16 . 1 1 43 43 MET CB C 34 32.435 32.435 31.874 0.561 18221
8126 1 16 . 1 1 43 43 MET H H 34 7.691 7.691 8.533 -0.842 18221
8127 1 16 . 1 1 44 44 GLY N N 35 107.020 107.020 106.966 0.054 18221
8128 1 16 . 1 1 44 44 GLY C C 35 174.493 174.493 173.585 0.908 18221
8129 1 16 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.365 -0.300 18221
8130 1 16 . 1 1 44 44 GLY H H 35 7.793 7.793 7.934 -0.141 18221
8131 1 16 . 1 1 45 45 PHE N N 36 120.285 120.285 124.587 -4.302 18221
8132 1 16 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.850 -0.343 18221
8133 1 16 . 1 1 45 45 PHE C C 36 176.876 176.876 174.880 1.996 18221
8134 1 16 . 1 1 45 45 PHE CA C 36 58.937 58.937 57.427 1.510 18221
8135 1 16 . 1 1 45 45 PHE CB C 36 38.178 38.178 40.944 -2.766 18221
8136 1 16 . 1 1 45 45 PHE H H 36 8.215 8.215 8.191 0.024 18221
8137 1 16 . 1 1 46 46 THR N N 37 114.008 114.008 115.462 -1.454 18221
8138 1 16 . 1 1 46 46 THR HA H 37 4.080 4.080 4.339 -0.259 18221
8139 1 16 . 1 1 46 46 THR C C 37 175.751 175.751 174.246 1.505 18221
8140 1 16 . 1 1 46 46 THR CA C 37 64.220 64.220 61.930 2.290 18221
8141 1 16 . 1 1 46 46 THR CB C 37 68.514 68.514 69.706 -1.192 18221
8142 1 16 . 1 1 46 46 THR H H 37 8.111 8.111 8.157 -0.046 18221
8143 1 16 . 1 1 47 47 SER N N 38 116.646 116.646 116.648 -0.002 18221
8144 1 16 . 1 1 47 47 SER HA H 38 3.918 3.918 4.431 -0.513 18221
8145 1 16 . 1 1 47 47 SER C C 38 176.744 176.744 176.087 0.657 18221
8146 1 16 . 1 1 47 47 SER CA C 38 59.911 59.911 58.710 1.201 18221
8147 1 16 . 1 1 47 47 SER CB C 38 62.624 62.624 63.705 -1.081 18221
8148 1 16 . 1 1 47 47 SER H H 38 8.079 8.079 8.432 -0.353 18221
8149 1 16 . 1 1 48 48 VAL N N 39 121.929 121.929 120.558 1.371 18221
8150 1 16 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.541 0.368 18221
8151 1 16 . 1 1 48 48 VAL C C 39 177.033 177.033 177.646 -0.613 18221
8152 1 16 . 1 1 48 48 VAL CA C 39 64.988 64.988 64.763 0.225 18221
8153 1 16 . 1 1 48 48 VAL CB C 39 30.667 30.667 30.598 0.070 18221
8154 1 16 . 1 1 48 48 VAL H H 39 7.985 7.985 8.183 -0.198 18221
8155 1 16 . 1 1 49 49 GLY N N 40 108.633 108.633 108.870 -0.237 18221
8156 1 16 . 1 1 49 49 GLY C C 40 176.038 176.038 176.405 -0.367 18221
8157 1 16 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.320 -0.455 18221
8158 1 16 . 1 1 49 49 GLY H H 40 8.267 8.267 8.537 -0.270 18221
8159 1 16 . 1 1 50 50 ILE N N 41 122.466 122.466 122.052 0.414 18221
8160 1 16 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.655 0.216 18221
8161 1 16 . 1 1 50 50 ILE C C 41 178.363 178.363 177.787 0.576 18221
8162 1 16 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.594 -1.079 18221
8163 1 16 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.776 -0.538 18221
8164 1 16 . 1 1 50 50 ILE H H 41 7.865 7.865 8.094 -0.229 18221
8165 1 16 . 1 1 51 51 ALA N N 42 125.064 125.064 121.661 3.403 18221
8166 1 16 . 1 1 51 51 ALA HA H 42 4.099 4.099 4.023 0.076 18221
8167 1 16 . 1 1 51 51 ALA C C 42 179.385 179.385 178.955 0.430 18221
8168 1 16 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.118 -0.638 18221
8169 1 16 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.977 -0.490 18221
8170 1 16 . 1 1 51 51 ALA H H 42 7.930 7.930 7.635 0.295 18221
8171 1 16 . 1 1 52 52 ALA N N 43 120.594 120.594 120.185 0.409 18221
8172 1 16 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.144 -0.207 18221
8173 1 16 . 1 1 52 52 ALA C C 43 179.088 179.088 180.030 -0.942 18221
8174 1 16 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.756 0.344 18221
8175 1 16 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.049 -0.413 18221
8176 1 16 . 1 1 52 52 ALA H H 43 8.639 8.639 8.005 0.634 18221
8177 1 16 . 1 1 53 53 SER N N 44 113.012 113.012 115.329 -2.317 18221
8178 1 16 . 1 1 53 53 SER HA H 44 3.966 3.966 4.197 -0.231 18221
8179 1 16 . 1 1 53 53 SER C C 44 176.898 176.898 176.860 0.038 18221
8180 1 16 . 1 1 53 53 SER CA C 44 61.139 61.139 62.234 -1.095 18221
8181 1 16 . 1 1 53 53 SER CB C 44 62.347 62.347 63.148 -0.801 18221
8182 1 16 . 1 1 53 53 SER H H 44 8.193 8.193 8.201 -0.008 18221
8183 1 16 . 1 1 54 54 SER N N 45 118.714 118.714 118.004 0.710 18221
8184 1 16 . 1 1 54 54 SER HA H 45 3.975 3.975 4.189 -0.214 18221
8185 1 16 . 1 1 54 54 SER C C 45 177.131 177.131 175.985 1.146 18221
8186 1 16 . 1 1 54 54 SER CA C 45 61.210 61.210 61.976 -0.766 18221
8187 1 16 . 1 1 54 54 SER CB C 45 62.255 62.255 63.160 -0.904 18221
8188 1 16 . 1 1 54 54 SER H H 45 7.944 7.944 8.206 -0.262 18221
8189 1 16 . 1 1 55 55 ILE N N 46 122.912 122.912 121.764 1.148 18221
8190 1 16 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.787 -0.030 18221
8191 1 16 . 1 1 55 55 ILE C C 46 177.813 177.813 177.068 0.745 18221
8192 1 16 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.032 0.159 18221
8193 1 16 . 1 1 55 55 ILE CB C 46 36.926 36.926 38.189 -1.263 18221
8194 1 16 . 1 1 55 55 ILE H H 46 8.028 8.028 8.004 0.024 18221
8195 1 16 . 1 1 56 56 ALA N N 47 122.990 122.990 122.006 0.984 18221
8196 1 16 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.049 -0.093 18221
8197 1 16 . 1 1 56 56 ALA C C 47 180.294 180.294 178.327 1.967 18221
8198 1 16 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.196 0.142 18221
8199 1 16 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.743 -1.041 18221
8200 1 16 . 1 1 56 56 ALA H H 47 8.333 8.333 8.083 0.250 18221
8201 1 16 . 1 1 57 57 ALA N N 48 121.988 121.988 122.248 -0.260 18221
8202 1 16 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.201 -0.133 18221
8203 1 16 . 1 1 57 57 ALA CA C 48 54.421 54.421 52.316 2.105 18221
8204 1 16 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.637 -1.935 18221
8205 1 16 . 1 1 57 57 ALA H H 48 7.879 7.879 7.719 0.160 18221
8206 1 16 . 1 1 58 58 LYS N N 49 119.094 119.094 117.816 1.278 18221
8207 1 16 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.927 0.219 18221
8208 1 16 . 1 1 58 58 LYS C C 49 179.649 179.649 175.138 4.511 18221
8209 1 16 . 1 1 58 58 LYS CA C 49 57.157 57.157 57.163 -0.005 18221
8210 1 16 . 1 1 58 58 LYS CB C 49 31.330 31.330 30.810 0.520 18221
8211 1 16 . 1 1 58 58 LYS H H 49 7.727 7.727 8.228 -0.501 18221
8212 1 16 . 1 1 59 59 MET N N 50 120.498 120.498 121.283 -0.785 18221
8213 1 16 . 1 1 59 59 MET HA H 50 4.156 4.156 4.465 -0.309 18221
8214 1 16 . 1 1 59 59 MET C C 50 177.949 177.949 174.939 3.010 18221
8215 1 16 . 1 1 59 59 MET CA C 50 57.136 57.136 55.228 1.908 18221
8216 1 16 . 1 1 59 59 MET CB C 50 31.922 31.922 33.875 -1.953 18221
8217 1 16 . 1 1 59 59 MET H H 50 8.395 8.395 7.979 0.416 18221
8218 1 16 . 1 1 60 60 MET N N 51 117.689 117.689 121.815 -4.126 18221
8219 1 16 . 1 1 60 60 MET HA H 51 4.222 4.222 4.316 -0.094 18221
8220 1 16 . 1 1 60 60 MET C C 51 177.674 177.674 174.874 2.800 18221
8221 1 16 . 1 1 60 60 MET CA C 51 57.638 57.638 55.616 2.022 18221
8222 1 16 . 1 1 60 60 MET CB C 51 31.785 31.785 32.426 -0.641 18221
8223 1 16 . 1 1 60 60 MET H H 51 8.234 8.234 8.306 -0.072 18221
8224 1 16 . 1 1 61 61 SER N N 52 114.385 114.385 119.433 -5.048 18221
8225 1 16 . 1 1 61 61 SER HA H 52 4.001 4.001 4.710 -0.709 18221
8226 1 16 . 1 1 61 61 SER C C 52 176.079 176.079 174.671 1.408 18221
8227 1 16 . 1 1 61 61 SER CA C 52 59.911 59.911 57.306 2.605 18221
8228 1 16 . 1 1 61 61 SER CB C 52 62.624 62.624 63.117 -0.493 18221
8229 1 16 . 1 1 61 61 SER H H 52 7.893 7.893 8.494 -0.601 18221
8230 1 16 . 1 1 62 62 THR N N 53 117.304 117.304 121.219 -3.915 18221
8231 1 16 . 1 1 62 62 THR HA H 53 4.104 4.104 4.124 -0.020 18221
8232 1 16 . 1 1 62 62 THR C C 53 175.436 175.436 174.881 0.555 18221
8233 1 16 . 1 1 62 62 THR CA C 53 64.220 64.220 63.003 1.217 18221
8234 1 16 . 1 1 62 62 THR CB C 53 68.514 68.514 69.903 -1.389 18221
8235 1 16 . 1 1 62 62 THR H H 53 7.794 7.794 8.132 -0.338 18221
8236 1 16 . 1 1 63 63 ALA N N 54 125.382 125.382 129.210 -3.828 18221
8237 1 16 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.291 -0.197 18221
8238 1 16 . 1 1 63 63 ALA C C 54 178.328 178.328 176.329 1.999 18221
8239 1 16 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.292 1.804 18221
8240 1 16 . 1 1 63 63 ALA CB C 54 17.708 17.708 19.550 -1.842 18221
8241 1 16 . 1 1 63 63 ALA H H 54 8.204 8.204 8.351 -0.147 18221
8242 1 16 . 1 1 64 64 ALA N N 55 119.929 119.929 125.495 -5.566 18221
8243 1 16 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.535 -0.410 18221
8244 1 16 . 1 1 64 64 ALA C C 55 179.183 179.183 177.099 2.084 18221
8245 1 16 . 1 1 64 64 ALA CA C 55 54.037 54.037 51.104 2.933 18221
8246 1 16 . 1 1 64 64 ALA CB C 55 17.708 17.708 20.201 -2.493 18221
8247 1 16 . 1 1 64 64 ALA H H 55 7.951 7.951 8.261 -0.310 18221
8248 1 16 . 1 1 65 65 ILE N N 56 117.016 117.016 122.507 -5.491 18221
8249 1 16 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.062 -0.112 18221
8250 1 16 . 1 1 65 65 ILE C C 56 177.222 177.222 175.775 1.447 18221
8251 1 16 . 1 1 65 65 ILE CA C 56 62.184 62.184 60.839 1.345 18221
8252 1 16 . 1 1 65 65 ILE CB C 56 37.073 37.073 38.117 -1.044 18221
8253 1 16 . 1 1 65 65 ILE H H 56 7.561 7.561 8.545 -0.984 18221
8254 1 16 . 1 1 66 66 ALA N N 57 124.191 124.191 130.805 -6.614 18221
8255 1 16 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.094 0.083 18221
8256 1 16 . 1 1 66 66 ALA C C 57 178.190 178.190 176.408 1.782 18221
8257 1 16 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.485 1.051 18221
8258 1 16 . 1 1 66 66 ALA CB C 57 17.929 17.929 18.754 -0.825 18221
8259 1 16 . 1 1 66 66 ALA H H 57 7.982 7.982 8.495 -0.513 18221
8260 1 16 . 1 1 67 67 ASN N N 58 116.132 116.132 117.550 -1.418 18221
8261 1 16 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.501 0.172 18221
8262 1 16 . 1 1 67 67 ASN C C 58 176.344 176.344 174.476 1.868 18221
8263 1 16 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.638 -0.161 18221
8264 1 16 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.908 -0.436 18221
8265 1 16 . 1 1 67 67 ASN H H 58 8.113 8.113 8.403 -0.290 18221
8266 1 16 . 1 1 68 68 GLY N N 59 108.808 108.808 107.893 0.915 18221
8267 1 16 . 1 1 68 68 GLY C C 59 174.958 174.958 174.391 0.567 18221
8268 1 16 . 1 1 68 68 GLY CA C 59 45.655 45.655 44.507 1.148 18221
8269 1 16 . 1 1 68 68 GLY H H 59 8.152 8.152 7.893 0.259 18221
8270 1 16 . 1 1 69 69 GLY N N 60 108.832 108.832 108.869 -0.037 18221
8271 1 16 . 1 1 69 69 GLY C C 60 174.631 174.631 174.574 0.057 18221
8272 1 16 . 1 1 69 69 GLY CA C 60 45.419 45.419 46.005 -0.586 18221
8273 1 16 . 1 1 69 69 GLY H H 60 8.218 8.218 8.622 -0.404 18221
8274 1 16 . 1 1 70 70 GLY N N 61 108.966 108.966 105.680 3.286 18221
8275 1 16 . 1 1 70 70 GLY C C 61 174.594 174.594 173.951 0.643 18221
8276 1 16 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.853 0.507 18221
8277 1 16 . 1 1 70 70 GLY H H 61 8.175 8.175 7.866 0.309 18221
8278 1 16 . 1 1 71 71 VAL N N 62 120.209 120.209 120.929 -0.720 18221
8279 1 16 . 1 1 71 71 VAL HA H 62 4.006 4.006 4.058 -0.052 18221
8280 1 16 . 1 1 71 71 VAL C C 62 176.077 176.077 176.942 -0.865 18221
8281 1 16 . 1 1 71 71 VAL CA C 62 62.390 62.390 63.715 -1.325 18221
8282 1 16 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.172 -0.474 18221
8283 1 16 . 1 1 71 71 VAL H H 62 7.882 7.882 8.520 -0.638 18221
8284 1 16 . 1 1 72 72 ALA N N 63 126.966 126.966 123.353 3.613 18221
8285 1 16 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.663 -0.637 18221
8286 1 16 . 1 1 72 72 ALA C C 63 178.064 178.064 175.861 2.203 18221
8287 1 16 . 1 1 72 72 ALA CA C 63 52.503 52.503 51.434 1.069 18221
8288 1 16 . 1 1 72 72 ALA CB C 63 18.225 18.225 18.921 -0.696 18221
8289 1 16 . 1 1 72 72 ALA H H 63 8.237 8.237 7.978 0.259 18221
8290 1 16 . 1 1 73 73 ALA N N 64 123.432 123.432 124.885 -1.453 18221
8291 1 16 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.564 -0.549 18221
8292 1 16 . 1 1 73 73 ALA C C 64 178.995 178.995 176.063 2.932 18221
8293 1 16 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.586 1.835 18221
8294 1 16 . 1 1 73 73 ALA CB C 64 18.003 18.003 20.417 -2.414 18221
8295 1 16 . 1 1 73 73 ALA H H 64 8.421 8.421 8.221 0.200 18221
8296 1 16 . 1 1 74 74 GLY N N 65 105.577 105.577 110.312 -4.735 18221
8297 1 16 . 1 1 74 74 GLY C C 65 176.367 176.367 174.955 1.412 18221
8298 1 16 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.633 1.611 18221
8299 1 16 . 1 1 74 74 GLY H H 65 8.448 8.448 8.010 0.438 18221
8300 1 16 . 1 1 75 75 SER N N 66 117.656 117.656 116.292 1.364 18221
8301 1 16 . 1 1 75 75 SER HA H 66 4.394 4.394 4.219 0.175 18221
8302 1 16 . 1 1 75 75 SER C C 66 176.329 176.329 176.788 -0.459 18221
8303 1 16 . 1 1 75 75 SER CA C 66 60.236 60.236 60.866 -0.630 18221
8304 1 16 . 1 1 75 75 SER CB C 66 62.476 62.476 63.028 -0.552 18221
8305 1 16 . 1 1 75 75 SER H H 66 7.899 7.899 8.522 -0.623 18221
8306 1 16 . 1 1 76 76 LEU N N 67 122.743 122.743 122.602 0.141 18221
8307 1 16 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.991 0.059 18221
8308 1 16 . 1 1 76 76 LEU C C 67 178.442 178.442 178.350 0.092 18221
8309 1 16 . 1 1 76 76 LEU CA C 67 57.520 57.520 58.051 -0.531 18221
8310 1 16 . 1 1 76 76 LEU CB C 67 40.681 40.681 42.117 -1.436 18221
8311 1 16 . 1 1 76 76 LEU H H 67 7.955 7.955 7.998 -0.043 18221
8312 1 16 . 1 1 77 77 VAL N N 68 118.400 118.400 118.289 0.111 18221
8313 1 16 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.510 -0.039 18221
8314 1 16 . 1 1 77 77 VAL C C 68 177.297 177.297 177.374 -0.077 18221
8315 1 16 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.553 0.117 18221
8316 1 16 . 1 1 77 77 VAL CB C 68 30.520 30.520 30.885 -0.365 18221
8317 1 16 . 1 1 77 77 VAL H H 68 8.039 8.039 8.013 0.026 18221
8318 1 16 . 1 1 78 78 ALA N N 69 121.927 121.927 122.629 -0.702 18221
8319 1 16 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.007 0.198 18221
8320 1 16 . 1 1 78 78 ALA C C 69 181.258 181.258 179.241 2.017 18221
8321 1 16 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.388 -0.406 18221
8322 1 16 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.230 -0.816 18221
8323 1 16 . 1 1 78 78 ALA H H 69 7.631 7.631 7.967 -0.336 18221
8324 1 16 . 1 1 79 79 ILE N N 70 119.782 119.782 117.083 2.699 18221
8325 1 16 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.897 -0.101 18221
8326 1 16 . 1 1 79 79 ILE C C 70 178.253 178.253 177.691 0.562 18221
8327 1 16 . 1 1 79 79 ILE CA C 70 64.352 64.352 63.463 0.889 18221
8328 1 16 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.690 -0.617 18221
8329 1 16 . 1 1 79 79 ILE H H 70 7.841 7.841 7.714 0.127 18221
8330 1 16 . 1 1 80 80 LEU N N 71 120.841 120.841 122.028 -1.187 18221
8331 1 16 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.780 0.157 18221
8332 1 16 . 1 1 80 80 LEU C C 71 179.234 179.234 178.697 0.537 18221
8333 1 16 . 1 1 80 80 LEU CA C 71 57.845 57.845 59.093 -1.248 18221
8334 1 16 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.849 -1.830 18221
8335 1 16 . 1 1 80 80 LEU H H 71 8.190 8.190 8.382 -0.192 18221
8336 1 16 . 1 1 81 81 GLN N N 72 117.558 117.558 117.108 0.450 18221
8337 1 16 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.950 0.019 18221
8338 1 16 . 1 1 81 81 GLN C C 72 178.530 178.530 178.767 -0.237 18221
8339 1 16 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.078 -0.259 18221
8340 1 16 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.730 -1.450 18221
8341 1 16 . 1 1 81 81 GLN H H 72 8.489 8.489 8.434 0.055 18221
8342 1 16 . 1 1 82 82 SER N N 73 116.103 116.103 116.090 0.013 18221
8343 1 16 . 1 1 82 82 SER HA H 73 4.233 4.233 4.122 0.111 18221
8344 1 16 . 1 1 82 82 SER C C 73 177.243 177.243 176.812 0.431 18221
8345 1 16 . 1 1 82 82 SER CA C 73 61.044 61.044 62.267 -1.223 18221
8346 1 16 . 1 1 82 82 SER CB C 73 62.257 62.257 63.167 -0.910 18221
8347 1 16 . 1 1 82 82 SER H H 73 7.855 7.855 8.137 -0.282 18221
8348 1 16 . 1 1 83 83 VAL N N 74 120.362 120.362 118.024 2.338 18221
8349 1 16 . 1 1 83 83 VAL C C 74 177.979 177.979 177.375 0.604 18221
8350 1 16 . 1 1 83 83 VAL CA C 74 65.106 65.106 65.651 -0.545 18221
8351 1 16 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.461 -0.720 18221
8352 1 16 . 1 1 83 83 VAL H H 74 8.030 8.030 8.059 -0.029 18221
8353 1 16 . 1 1 84 84 GLY N N 75 108.223 108.223 108.055 0.168 18221
8354 1 16 . 1 1 84 84 GLY C C 75 174.913 174.913 175.514 -0.601 18221
8355 1 16 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.050 -0.273 18221
8356 1 16 . 1 1 84 84 GLY H H 75 8.369 8.369 7.829 0.540 18221
8357 1 16 . 1 1 85 85 ALA N N 76 123.550 123.550 124.495 -0.945 18221
8358 1 16 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.124 -0.030 18221
8359 1 16 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.902 -0.304 18221
8360 1 16 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.289 -0.666 18221
8361 1 16 . 1 1 85 85 ALA H H 76 8.115 8.115 8.415 -0.300 18221
8362 1 16 . 1 1 86 86 ALA N N 77 120.410 120.410 120.866 -0.456 18221
8363 1 16 . 1 1 86 86 ALA C C 77 178.988 178.988 179.554 -0.566 18221
8364 1 16 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.378 -0.542 18221
8365 1 16 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.946 -0.436 18221
8366 1 16 . 1 1 86 86 ALA H H 77 8.632 8.632 8.288 0.344 18221
8367 1 16 . 1 1 87 87 GLY N N 78 105.706 105.706 107.345 -1.639 18221
8368 1 16 . 1 1 87 87 GLY C C 78 175.939 175.939 176.239 -0.300 18221
8369 1 16 . 1 1 87 87 GLY CA C 78 46.118 46.118 47.081 -0.963 18221
8370 1 16 . 1 1 87 87 GLY H H 78 8.196 8.196 7.846 0.350 18221
8371 1 16 . 1 1 88 88 LEU N N 79 124.128 124.128 121.701 2.427 18221
8372 1 16 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.887 -0.485 18221
8373 1 16 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.866 -1.479 18221
8374 1 16 . 1 1 88 88 LEU H H 79 8.449 8.449 8.058 0.391 18221
8375 1 16 . 1 1 89 89 SER N N 80 116.251 116.251 115.015 1.236 18221
8376 1 16 . 1 1 89 89 SER C C 80 179.153 179.153 176.277 2.876 18221
8377 1 16 . 1 1 89 89 SER CA C 80 61.023 61.023 62.318 -1.295 18221
8378 1 16 . 1 1 89 89 SER CB C 80 62.255 62.255 63.187 -0.932 18221
8379 1 16 . 1 1 89 89 SER H H 80 8.120 8.120 8.280 -0.160 18221
8380 1 16 . 1 1 90 90 VAL N N 81 119.310 119.310 121.224 -1.914 18221
8381 1 16 . 1 1 90 90 VAL C C 81 177.652 177.652 177.747 -0.095 18221
8382 1 16 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.453 -0.377 18221
8383 1 16 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.709 -0.379 18221
8384 1 16 . 1 1 90 90 VAL H H 81 7.955 7.955 8.040 -0.085 18221
8385 1 16 . 1 1 91 91 THR N N 82 115.535 115.535 116.256 -0.721 18221
8386 1 16 . 1 1 91 91 THR C C 82 176.571 176.571 176.646 -0.075 18221
8387 1 16 . 1 1 91 91 THR CA C 82 66.434 66.434 66.906 -0.472 18221
8388 1 16 . 1 1 91 91 THR CB C 82 67.742 67.742 68.417 -0.675 18221
8389 1 16 . 1 1 91 91 THR H H 82 7.888 7.888 8.426 -0.538 18221
8390 1 16 . 1 1 92 92 SER N N 83 116.537 116.537 117.985 -1.448 18221
8391 1 16 . 1 1 92 92 SER HA H 83 4.040 4.040 4.002 0.038 18221
8392 1 16 . 1 1 92 92 SER C C 83 176.761 176.761 176.462 0.299 18221
8393 1 16 . 1 1 92 92 SER CA C 83 61.564 61.564 62.005 -0.441 18221
8394 1 16 . 1 1 92 92 SER CB C 83 62.009 62.009 63.155 -1.146 18221
8395 1 16 . 1 1 92 92 SER H H 83 8.212 8.212 8.217 -0.005 18221
8396 1 16 . 1 1 93 93 LYS N N 84 122.353 122.353 121.481 0.872 18221
8397 1 16 . 1 1 93 93 LYS HA H 84 4.119 4.119 4.175 -0.056 18221
8398 1 16 . 1 1 93 93 LYS C C 84 172.812 172.812 179.602 -6.790 18221
8399 1 16 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.710 -1.275 18221
8400 1 16 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.461 -0.984 18221
8401 1 16 . 1 1 93 93 LYS H H 84 7.642 7.642 8.448 -0.806 18221
8402 1 16 . 1 1 94 94 VAL N N 85 119.348 119.348 118.279 1.069 18221
8403 1 16 . 1 1 94 94 VAL C C 85 177.948 177.948 177.731 0.217 18221
8404 1 16 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.111 0.278 18221
8405 1 16 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.750 0.096 18221
8406 1 16 . 1 1 94 94 VAL H H 85 8.414 8.414 7.859 0.555 18221
8407 1 16 . 1 1 95 95 ILE N N 86 118.769 118.769 119.238 -0.469 18221
8408 1 16 . 1 1 95 95 ILE C C 86 177.972 177.972 176.359 1.613 18221
8409 1 16 . 1 1 95 95 ILE CA C 86 63.837 63.837 64.131 -0.294 18221
8410 1 16 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.902 -2.270 18221
8411 1 16 . 1 1 95 95 ILE H H 86 8.169 8.169 7.826 0.343 18221
8412 1 16 . 1 1 96 96 GLY N N 87 107.955 107.955 104.707 3.248 18221
8413 1 16 . 1 1 96 96 GLY C C 87 176.571 176.571 174.288 2.283 18221
8414 1 16 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.835 1.676 18221
8415 1 16 . 1 1 96 96 GLY H H 87 8.182 8.182 8.189 -0.007 18221
8416 1 16 . 1 1 97 97 GLY N N 88 109.117 109.117 113.256 -4.139 18221
8417 1 16 . 1 1 97 97 GLY C C 88 175.524 175.524 174.020 1.504 18221
8418 1 16 . 1 1 97 97 GLY CA C 88 45.832 45.832 47.091 -1.259 18221
8419 1 16 . 1 1 97 97 GLY H H 88 7.953 7.953 8.147 -0.194 18221
8420 1 16 . 1 1 98 98 PHE N N 89 121.100 121.100 123.558 -2.458 18221
8421 1 16 . 1 1 98 98 PHE C C 89 176.367 176.367 173.650 2.717 18221
8422 1 16 . 1 1 98 98 PHE CA C 89 56.900 56.900 58.489 -1.589 18221
8423 1 16 . 1 1 98 98 PHE CB C 89 38.832 38.832 41.382 -2.550 18221
8424 1 16 . 1 1 98 98 PHE H H 89 8.000 8.000 8.323 -0.323 18221
8425 1 16 . 1 1 99 99 ALA N N 90 122.834 122.834 122.280 0.554 18221
8426 1 16 . 1 1 99 99 ALA C C 90 178.348 178.348 175.991 2.357 18221
8427 1 16 . 1 1 99 99 ALA CA C 90 55.277 55.277 51.968 3.309 18221
8428 1 16 . 1 1 99 99 ALA CB C 90 17.414 17.414 18.363 -0.949 18221
8429 1 16 . 1 1 99 99 ALA H H 90 8.322 8.322 8.003 0.319 18221
8430 1 16 . 1 1 100 100 GLY N N 91 106.688 106.688 109.199 -2.511 18221
8431 1 16 . 1 1 100 100 GLY C C 91 175.878 175.878 173.403 2.475 18221
8432 1 16 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.127 0.499 18221
8433 1 16 . 1 1 100 100 GLY H H 91 8.000 8.000 8.130 -0.130 18221
8434 1 16 . 1 1 101 101 THR N N 92 115.689 115.689 116.724 -1.035 18221
8435 1 16 . 1 1 101 101 THR C C 92 178.476 178.476 173.117 5.359 18221
8436 1 16 . 1 1 101 101 THR CA C 92 63.364 63.364 63.713 -0.349 18221
8437 1 16 . 1 1 101 101 THR CB C 92 69.619 69.619 69.008 0.611 18221
8438 1 16 . 1 1 101 101 THR H H 92 7.754 7.754 8.270 -0.516 18221
8439 1 16 . 1 1 102 102 ALA N N 93 124.835 124.835 128.940 -4.105 18221
8440 1 16 . 1 1 102 102 ALA CA C 93 54.311 54.311 51.649 2.662 18221
8441 1 16 . 1 1 102 102 ALA CB C 93 17.679 17.679 20.767 -3.088 18221
8442 1 16 . 1 1 102 102 ALA H H 93 7.919 7.919 8.085 -0.166 18221
8443 1 16 . 1 1 103 103 LEU N N 94 117.445 117.445 119.248 -1.803 18221
8444 1 16 . 1 1 103 103 LEU CA C 94 56.782 56.782 55.164 1.618 18221
8445 1 16 . 1 1 103 103 LEU CB C 94 40.902 40.902 40.684 0.218 18221
8446 1 16 . 1 1 103 103 LEU H H 94 8.037 8.037 8.231 -0.194 18221
8447 1 16 . 1 1 104 104 GLY N N 95 106.296 106.296 107.223 -0.927 18221
8448 1 16 . 1 1 104 104 GLY C C 95 175.851 175.851 173.387 2.464 18221
8449 1 16 . 1 1 104 104 GLY CA C 95 46.570 46.570 43.866 2.704 18221
8450 1 16 . 1 1 104 104 GLY H H 95 7.900 7.900 7.687 0.213 18221
8451 1 16 . 1 1 105 105 ALA N N 96 123.872 123.872 124.113 -0.241 18221
8452 1 16 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.309 1.817 18221
8453 1 16 . 1 1 105 105 ALA CB C 96 17.587 17.587 19.249 -1.662 18221
8454 1 16 . 1 1 105 105 ALA H H 96 7.804 7.804 8.225 -0.421 18221
8455 1 16 . 1 1 106 106 TRP N N 97 120.348 120.348 125.155 -4.807 18221
8456 1 16 . 1 1 106 106 TRP C C 97 176.857 176.857 175.741 1.116 18221
8457 1 16 . 1 1 106 106 TRP CA C 97 56.900 56.900 56.410 0.491 18221
8458 1 16 . 1 1 106 106 TRP H H 97 8.385 8.385 8.637 -0.252 18221
8459 1 16 . 1 1 107 107 LEU N N 98 117.756 117.756 126.066 -8.310 18221
8460 1 16 . 1 1 107 107 LEU C C 98 177.659 177.659 177.652 0.007 18221
8461 1 16 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.781 -0.678 18221
8462 1 16 . 1 1 107 107 LEU CB C 98 41.418 41.418 42.654 -1.236 18221
8463 1 16 . 1 1 107 107 LEU H H 98 7.880 7.880 8.185 -0.305 18221
8464 1 16 . 1 1 108 108 GLY N N 99 107.285 107.285 109.415 -2.130 18221
8465 1 16 . 1 1 108 108 GLY C C 99 173.815 173.815 174.847 -1.032 18221
8466 1 16 . 1 1 108 108 GLY CA C 99 44.947 44.947 45.496 -0.549 18221
8467 1 16 . 1 1 108 108 GLY H H 99 7.694 7.694 8.234 -0.540 18221
8468 1 16 . 1 1 109 109 SER N N 100 117.139 117.139 117.247 -0.108 18221
8469 1 16 . 1 1 109 109 SER C C 100 172.179 172.179 173.059 -0.880 18221
8470 1 16 . 1 1 109 109 SER CA C 100 56.015 56.015 56.546 -0.531 18221
8471 1 16 . 1 1 109 109 SER CB C 100 62.771 62.771 64.240 -1.469 18221
8472 1 16 . 1 1 109 109 SER H H 100 8.030 8.030 8.327 -0.297 18221
8473 1 16 . 1 1 111 111 PRO C C 102 177.073 177.073 176.602 0.471 18221
8474 1 16 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.225 -1.026 18221
8475 1 16 . 1 1 111 111 PRO CB C 102 31.211 31.211 31.564 -0.353 18221
8476 1 16 . 1 1 112 112 SER N N 103 117.115 117.115 118.012 -0.897 18221
8477 1 16 . 1 1 112 112 SER C C 103 173.898 173.898 174.224 -0.326 18221
8478 1 16 . 1 1 112 112 SER CA C 103 57.904 57.904 58.818 -0.914 18221
8479 1 16 . 1 1 112 112 SER CB C 103 63.360 63.360 63.056 0.304 18221
8480 1 16 . 1 1 112 112 SER H H 103 8.345 8.345 8.558 -0.213 18221
8481 1 17 . 1 1 11 11 GLY N N 2 109.366 109.366 111.932 -2.566 18221
8482 1 17 . 1 1 11 11 GLY C C 2 174.543 174.543 174.577 -0.034 18221
8483 1 17 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.630 0.065 18221
8484 1 17 . 1 1 11 11 GLY H H 2 8.271 8.271 8.322 -0.051 18221
8485 1 17 . 1 1 12 12 LYS N N 3 121.129 121.129 120.505 0.624 18221
8486 1 17 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.506 -0.374 18221
8487 1 17 . 1 1 12 12 LYS C C 3 177.234 177.234 177.392 -0.158 18221
8488 1 17 . 1 1 12 12 LYS CA C 3 56.812 56.812 57.890 -1.078 18221
8489 1 17 . 1 1 12 12 LYS CB C 3 31.846 31.846 33.050 -1.204 18221
8490 1 17 . 1 1 12 12 LYS H H 3 8.057 8.057 8.406 -0.349 18221
8491 1 17 . 1 1 13 13 GLU N N 4 120.318 120.318 116.841 3.477 18221
8492 1 17 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.445 -0.290 18221
8493 1 17 . 1 1 13 13 GLU C C 4 176.857 176.857 177.181 -0.324 18221
8494 1 17 . 1 1 13 13 GLU CA C 4 56.871 56.871 56.792 0.079 18221
8495 1 17 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.872 -2.484 18221
8496 1 17 . 1 1 13 13 GLU H H 4 8.398 8.398 8.367 0.031 18221
8497 1 17 . 1 1 14 14 SER N N 5 115.504 115.504 114.880 0.624 18221
8498 1 17 . 1 1 14 14 SER HA H 5 3.843 3.843 4.636 -0.793 18221
8499 1 17 . 1 1 14 14 SER C C 5 175.337 175.337 174.068 1.269 18221
8500 1 17 . 1 1 14 14 SER CA C 5 58.524 58.524 58.643 -0.119 18221
8501 1 17 . 1 1 14 14 SER CB C 5 63.360 63.360 65.230 -1.870 18221
8502 1 17 . 1 1 14 14 SER H H 5 8.089 8.089 8.274 -0.185 18221
8503 1 17 . 1 1 15 15 GLY N N 6 110.761 110.761 109.515 1.246 18221
8504 1 17 . 1 1 15 15 GLY C C 6 174.581 174.581 173.742 0.839 18221
8505 1 17 . 1 1 15 15 GLY CA C 6 45.566 45.566 44.693 0.873 18221
8506 1 17 . 1 1 15 15 GLY H H 6 8.197 8.197 7.809 0.388 18221
8507 1 17 . 1 1 16 16 TRP N N 7 121.800 121.800 125.606 -3.806 18221
8508 1 17 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.984 -0.424 18221
8509 1 17 . 1 1 16 16 TRP C C 7 176.920 176.920 175.231 1.689 18221
8510 1 17 . 1 1 16 16 TRP CA C 7 58.081 58.081 56.110 1.971 18221
8511 1 17 . 1 1 16 16 TRP CB C 7 28.679 28.679 29.025 -0.346 18221
8512 1 17 . 1 1 16 16 TRP H H 7 8.184 8.184 8.546 -0.362 18221
8513 1 17 . 1 1 17 17 ASP N N 8 121.132 121.132 121.033 0.099 18221
8514 1 17 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.612 -0.217 18221
8515 1 17 . 1 1 17 17 ASP C C 8 176.941 176.941 174.731 2.210 18221
8516 1 17 . 1 1 17 17 ASP CA C 8 56.244 56.244 54.401 1.843 18221
8517 1 17 . 1 1 17 17 ASP CB C 8 39.945 39.945 42.585 -2.640 18221
8518 1 17 . 1 1 17 17 ASP H H 8 8.332 8.332 7.869 0.463 18221
8519 1 17 . 1 1 18 18 SER N N 9 116.148 116.148 118.096 -1.948 18221
8520 1 17 . 1 1 18 18 SER HA H 9 3.861 3.861 4.642 -0.781 18221
8521 1 17 . 1 1 18 18 SER CA C 9 60.081 60.081 58.110 1.971 18221
8522 1 17 . 1 1 18 18 SER CB C 9 62.255 62.255 64.902 -2.647 18221
8523 1 17 . 1 1 18 18 SER H H 9 8.129 8.129 8.261 -0.132 18221
8524 1 17 . 1 1 19 19 GLY N N 10 110.747 110.747 111.790 -1.043 18221
8525 1 17 . 1 1 19 19 GLY C C 10 174.682 174.682 175.228 -0.546 18221
8526 1 17 . 1 1 19 19 GLY CA C 10 46.600 46.600 44.520 2.079 18221
8527 1 17 . 1 1 19 19 GLY H H 10 8.216 8.216 8.326 -0.110 18221
8528 1 17 . 1 1 20 20 ARG N N 11 121.405 121.405 119.498 1.907 18221
8529 1 17 . 1 1 20 20 ARG HA H 11 3.857 3.857 3.991 -0.134 18221
8530 1 17 . 1 1 20 20 ARG C C 11 178.328 178.328 179.170 -0.842 18221
8531 1 17 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.815 0.270 18221
8532 1 17 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.181 -1.134 18221
8533 1 17 . 1 1 20 20 ARG H H 11 8.158 8.158 8.526 -0.368 18221
8534 1 17 . 1 1 21 21 ALA N N 12 122.167 122.167 122.709 -0.542 18221
8535 1 17 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.057 0.043 18221
8536 1 17 . 1 1 21 21 ALA C C 12 180.129 180.129 179.460 0.669 18221
8537 1 17 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.767 -0.375 18221
8538 1 17 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.962 -0.548 18221
8539 1 17 . 1 1 21 21 ALA H H 12 7.963 7.963 8.295 -0.332 18221
8540 1 17 . 1 1 22 22 ALA N N 13 122.150 122.150 121.493 0.657 18221
8541 1 17 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.995 0.042 18221
8542 1 17 . 1 1 22 22 ALA C C 13 179.095 179.095 180.012 -0.917 18221
8543 1 17 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.821 -0.105 18221
8544 1 17 . 1 1 22 22 ALA CB C 13 17.561 17.561 17.983 -0.422 18221
8545 1 17 . 1 1 22 22 ALA H H 13 7.881 7.881 8.326 -0.445 18221
8546 1 17 . 1 1 23 23 VAL N N 14 117.107 117.107 119.156 -2.049 18221
8547 1 17 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.493 -0.013 18221
8548 1 17 . 1 1 23 23 VAL C C 14 177.586 177.586 177.903 -0.317 18221
8549 1 17 . 1 1 23 23 VAL CA C 14 66.198 66.198 66.571 -0.373 18221
8550 1 17 . 1 1 23 23 VAL CB C 14 30.520 30.520 31.523 -1.003 18221
8551 1 17 . 1 1 23 23 VAL H H 14 7.888 7.888 8.001 -0.113 18221
8552 1 17 . 1 1 24 24 ALA N N 15 121.333 121.333 121.492 -0.159 18221
8553 1 17 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.934 0.047 18221
8554 1 17 . 1 1 24 24 ALA C C 15 180.373 180.373 179.287 1.086 18221
8555 1 17 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.133 -0.122 18221
8556 1 17 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.741 -0.489 18221
8557 1 17 . 1 1 24 24 ALA H H 15 8.037 8.037 7.680 0.357 18221
8558 1 17 . 1 1 25 25 ALA N N 16 121.158 121.158 120.418 0.740 18221
8559 1 17 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.152 -0.006 18221
8560 1 17 . 1 1 25 25 ALA C C 16 179.828 179.828 179.067 0.761 18221
8561 1 17 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.710 -0.259 18221
8562 1 17 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.321 -0.834 18221
8563 1 17 . 1 1 25 25 ALA H H 16 7.819 7.819 7.782 0.037 18221
8564 1 17 . 1 1 26 26 VAL N N 17 118.417 118.417 115.844 2.573 18221
8565 1 17 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.890 -0.112 18221
8566 1 17 . 1 1 26 26 VAL C C 17 178.020 178.020 176.717 1.303 18221
8567 1 17 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.964 1.614 18221
8568 1 17 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.823 -0.738 18221
8569 1 17 . 1 1 26 26 VAL H H 17 7.848 7.848 7.693 0.155 18221
8570 1 17 . 1 1 27 27 VAL N N 18 119.240 119.240 118.747 0.493 18221
8571 1 17 . 1 1 27 27 VAL C C 18 177.719 177.719 176.667 1.052 18221
8572 1 17 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.253 1.738 18221
8573 1 17 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.522 -2.335 18221
8574 1 17 . 1 1 27 27 VAL H H 18 8.377 8.377 7.379 0.998 18221
8575 1 17 . 1 1 28 28 GLY N N 19 106.009 106.009 106.388 -0.379 18221
8576 1 17 . 1 1 28 28 GLY C C 19 176.212 176.212 174.333 1.879 18221
8577 1 17 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.538 -0.294 18221
8578 1 17 . 1 1 28 28 GLY H H 19 8.122 8.122 8.066 0.056 18221
8579 1 17 . 1 1 29 29 GLY N N 20 110.216 110.216 111.412 -1.196 18221
8580 1 17 . 1 1 29 29 GLY C C 20 174.097 174.097 175.584 -1.487 18221
8581 1 17 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.966 1.368 18221
8582 1 17 . 1 1 29 29 GLY H H 20 8.039 8.039 8.280 -0.241 18221
8583 1 17 . 1 1 30 30 VAL N N 21 121.188 121.188 118.862 2.326 18221
8584 1 17 . 1 1 30 30 VAL C C 21 177.073 177.073 177.565 -0.492 18221
8585 1 17 . 1 1 30 30 VAL CA C 21 62.574 62.574 65.583 -3.009 18221
8586 1 17 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.477 -0.687 18221
8587 1 17 . 1 1 30 30 VAL H H 21 7.983 7.983 7.682 0.301 18221
8588 1 17 . 1 1 32 32 ALA N N 23 125.091 125.091 122.810 2.281 18221
8589 1 17 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.041 0.219 18221
8590 1 17 . 1 1 32 32 ALA C C 23 179.523 179.523 179.800 -0.277 18221
8591 1 17 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.121 -1.438 18221
8592 1 17 . 1 1 32 32 ALA CB C 23 16.383 16.383 17.998 -1.615 18221
8593 1 17 . 1 1 32 32 ALA H H 23 8.036 8.036 7.434 0.602 18221
8594 1 17 . 1 1 33 33 VAL N N 24 118.793 118.793 117.864 0.929 18221
8595 1 17 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.744 -0.036 18221
8596 1 17 . 1 1 33 33 VAL C C 24 177.901 177.901 178.456 -0.555 18221
8597 1 17 . 1 1 33 33 VAL CA C 24 65.430 65.430 64.689 0.742 18221
8598 1 17 . 1 1 33 33 VAL CB C 24 31.318 31.318 30.740 0.578 18221
8599 1 17 . 1 1 33 33 VAL H H 24 8.195 8.195 8.069 0.126 18221
8600 1 17 . 1 1 34 34 GLY N N 25 108.367 108.367 108.696 -0.329 18221
8601 1 17 . 1 1 34 34 GLY C C 25 175.424 175.424 175.792 -0.368 18221
8602 1 17 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.690 -0.356 18221
8603 1 17 . 1 1 34 34 GLY H H 25 8.651 8.651 8.353 0.298 18221
8604 1 17 . 1 1 35 35 THR N N 26 116.448 116.448 119.091 -2.643 18221
8605 1 17 . 1 1 35 35 THR C C 26 176.843 176.843 176.991 -0.148 18221
8606 1 17 . 1 1 35 35 THR CA C 26 65.962 65.962 67.574 -1.612 18221
8607 1 17 . 1 1 35 35 THR CB C 26 68.414 68.414 68.686 -0.272 18221
8608 1 17 . 1 1 35 35 THR H H 26 7.975 7.975 8.327 -0.352 18221
8609 1 17 . 1 1 36 36 VAL N N 27 122.810 122.810 121.165 1.645 18221
8610 1 17 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.654 0.065 18221
8611 1 17 . 1 1 36 36 VAL C C 27 177.618 177.618 177.505 0.113 18221
8612 1 17 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.935 -1.209 18221
8613 1 17 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.423 -0.756 18221
8614 1 17 . 1 1 36 36 VAL H H 27 7.559 7.559 8.065 -0.506 18221
8615 1 17 . 1 1 37 37 LEU N N 28 119.566 119.566 121.180 -1.614 18221
8616 1 17 . 1 1 37 37 LEU HA H 28 3.953 3.953 4.016 -0.063 18221
8617 1 17 . 1 1 37 37 LEU C C 28 179.666 179.666 178.891 0.775 18221
8618 1 17 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.567 -0.722 18221
8619 1 17 . 1 1 37 37 LEU CB C 28 40.166 40.166 42.067 -1.901 18221
8620 1 17 . 1 1 37 37 LEU H H 28 8.086 8.086 7.739 0.347 18221
8621 1 17 . 1 1 38 38 VAL N N 29 119.468 119.468 119.013 0.455 18221
8622 1 17 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.578 0.075 18221
8623 1 17 . 1 1 38 38 VAL C C 29 178.639 178.639 177.571 1.068 18221
8624 1 17 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.041 -0.568 18221
8625 1 17 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.673 -1.064 18221
8626 1 17 . 1 1 38 38 VAL H H 29 8.066 8.066 8.487 -0.421 18221
8627 1 17 . 1 1 39 39 ALA N N 30 124.255 124.255 122.228 2.027 18221
8628 1 17 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.116 0.049 18221
8629 1 17 . 1 1 39 39 ALA C C 30 180.303 180.303 179.438 0.865 18221
8630 1 17 . 1 1 39 39 ALA CA C 30 54.834 54.834 54.661 0.173 18221
8631 1 17 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.441 -0.733 18221
8632 1 17 . 1 1 39 39 ALA H H 30 7.688 7.688 7.612 0.076 18221
8633 1 17 . 1 1 40 40 LEU N N 31 118.268 118.268 118.555 -0.287 18221
8634 1 17 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.015 0.126 18221
8635 1 17 . 1 1 40 40 LEU C C 31 179.271 179.271 178.171 1.100 18221
8636 1 17 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.324 -0.246 18221
8637 1 17 . 1 1 40 40 LEU CB C 31 40.902 40.902 42.288 -1.386 18221
8638 1 17 . 1 1 40 40 LEU H H 31 8.326 8.326 7.923 0.403 18221
8639 1 17 . 1 1 41 41 SER N N 32 114.984 114.984 112.347 2.637 18221
8640 1 17 . 1 1 41 41 SER HA H 32 3.952 3.952 4.263 -0.311 18221
8641 1 17 . 1 1 41 41 SER C C 32 176.284 176.284 175.213 1.071 18221
8642 1 17 . 1 1 41 41 SER CA C 32 60.885 60.885 59.852 1.033 18221
8643 1 17 . 1 1 41 41 SER CB C 32 62.410 62.410 63.722 -1.312 18221
8644 1 17 . 1 1 41 41 SER H H 32 8.062 8.062 7.996 0.066 18221
8645 1 17 . 1 1 42 42 ALA N N 33 124.588 124.588 123.873 0.715 18221
8646 1 17 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.071 0.154 18221
8647 1 17 . 1 1 42 42 ALA C C 33 179.033 179.033 178.048 0.985 18221
8648 1 17 . 1 1 42 42 ALA CA C 33 53.713 53.713 52.770 0.943 18221
8649 1 17 . 1 1 42 42 ALA CB C 33 17.929 17.929 19.087 -1.158 18221
8650 1 17 . 1 1 42 42 ALA H H 33 7.813 7.813 7.548 0.265 18221
8651 1 17 . 1 1 43 43 MET N N 34 116.808 116.808 115.360 1.448 18221
8652 1 17 . 1 1 43 43 MET HA H 34 4.285 4.285 4.261 0.024 18221
8653 1 17 . 1 1 43 43 MET C C 34 176.807 176.807 175.727 1.080 18221
8654 1 17 . 1 1 43 43 MET CA C 34 56.576 56.576 56.220 0.356 18221
8655 1 17 . 1 1 43 43 MET CB C 34 32.435 32.435 31.631 0.804 18221
8656 1 17 . 1 1 43 43 MET H H 34 7.691 7.691 8.502 -0.811 18221
8657 1 17 . 1 1 44 44 GLY N N 35 107.020 107.020 105.401 1.619 18221
8658 1 17 . 1 1 44 44 GLY C C 35 174.493 174.493 174.337 0.156 18221
8659 1 17 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.256 -0.191 18221
8660 1 17 . 1 1 44 44 GLY H H 35 7.793 7.793 8.136 -0.343 18221
8661 1 17 . 1 1 45 45 PHE N N 36 120.285 120.285 119.661 0.624 18221
8662 1 17 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.133 0.374 18221
8663 1 17 . 1 1 45 45 PHE C C 36 176.876 176.876 174.290 2.586 18221
8664 1 17 . 1 1 45 45 PHE CA C 36 58.937 58.937 58.978 -0.041 18221
8665 1 17 . 1 1 45 45 PHE CB C 36 38.178 38.178 37.747 0.431 18221
8666 1 17 . 1 1 45 45 PHE H H 36 8.215 8.215 8.421 -0.206 18221
8667 1 17 . 1 1 46 46 THR N N 37 114.008 114.008 115.172 -1.164 18221
8668 1 17 . 1 1 46 46 THR HA H 37 4.080 4.080 4.689 -0.609 18221
8669 1 17 . 1 1 46 46 THR C C 37 175.751 175.751 173.533 2.218 18221
8670 1 17 . 1 1 46 46 THR CA C 37 64.220 64.220 61.607 2.613 18221
8671 1 17 . 1 1 46 46 THR CB C 37 68.514 68.514 69.681 -1.167 18221
8672 1 17 . 1 1 46 46 THR H H 37 8.111 8.111 8.189 -0.078 18221
8673 1 17 . 1 1 47 47 SER N N 38 116.646 116.646 122.667 -6.021 18221
8674 1 17 . 1 1 47 47 SER HA H 38 3.918 3.918 4.481 -0.563 18221
8675 1 17 . 1 1 47 47 SER C C 38 176.744 176.744 174.888 1.856 18221
8676 1 17 . 1 1 47 47 SER CA C 38 59.911 59.911 58.838 1.073 18221
8677 1 17 . 1 1 47 47 SER CB C 38 62.624 62.624 63.407 -0.783 18221
8678 1 17 . 1 1 47 47 SER H H 38 8.079 8.079 8.227 -0.148 18221
8679 1 17 . 1 1 48 48 VAL N N 39 121.929 121.929 119.772 2.157 18221
8680 1 17 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.702 0.207 18221
8681 1 17 . 1 1 48 48 VAL C C 39 177.033 177.033 177.919 -0.886 18221
8682 1 17 . 1 1 48 48 VAL CA C 39 64.988 64.988 65.815 -0.827 18221
8683 1 17 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.062 -0.395 18221
8684 1 17 . 1 1 48 48 VAL H H 39 7.985 7.985 7.848 0.137 18221
8685 1 17 . 1 1 49 49 GLY N N 40 108.633 108.633 108.309 0.324 18221
8686 1 17 . 1 1 49 49 GLY C C 40 176.038 176.038 176.407 -0.369 18221
8687 1 17 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.316 -0.451 18221
8688 1 17 . 1 1 49 49 GLY H H 40 8.267 8.267 8.325 -0.058 18221
8689 1 17 . 1 1 50 50 ILE N N 41 122.466 122.466 123.028 -0.562 18221
8690 1 17 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.675 0.196 18221
8691 1 17 . 1 1 50 50 ILE C C 41 178.363 178.363 178.061 0.302 18221
8692 1 17 . 1 1 50 50 ILE CA C 41 63.515 63.515 63.660 -0.145 18221
8693 1 17 . 1 1 50 50 ILE CB C 41 37.238 37.238 36.953 0.285 18221
8694 1 17 . 1 1 50 50 ILE H H 41 7.865 7.865 7.848 0.017 18221
8695 1 17 . 1 1 51 51 ALA N N 42 125.064 125.064 121.726 3.338 18221
8696 1 17 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.918 0.181 18221
8697 1 17 . 1 1 51 51 ALA C C 42 179.385 179.385 179.383 0.002 18221
8698 1 17 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.420 -0.940 18221
8699 1 17 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.957 -0.470 18221
8700 1 17 . 1 1 51 51 ALA H H 42 7.930 7.930 8.599 -0.669 18221
8701 1 17 . 1 1 52 52 ALA N N 43 120.594 120.594 120.037 0.557 18221
8702 1 17 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.002 -0.065 18221
8703 1 17 . 1 1 52 52 ALA C C 43 179.088 179.088 180.097 -1.009 18221
8704 1 17 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.850 0.250 18221
8705 1 17 . 1 1 52 52 ALA CB C 43 17.635 17.635 17.909 -0.274 18221
8706 1 17 . 1 1 52 52 ALA H H 43 8.639 8.639 8.117 0.522 18221
8707 1 17 . 1 1 53 53 SER N N 44 113.012 113.012 114.317 -1.305 18221
8708 1 17 . 1 1 53 53 SER HA H 44 3.966 3.966 4.236 -0.270 18221
8709 1 17 . 1 1 53 53 SER C C 44 176.898 176.898 176.901 -0.003 18221
8710 1 17 . 1 1 53 53 SER CA C 44 61.139 61.139 61.340 -0.201 18221
8711 1 17 . 1 1 53 53 SER CB C 44 62.347 62.347 63.079 -0.732 18221
8712 1 17 . 1 1 53 53 SER H H 44 8.193 8.193 8.336 -0.143 18221
8713 1 17 . 1 1 54 54 SER N N 45 118.714 118.714 118.399 0.315 18221
8714 1 17 . 1 1 54 54 SER HA H 45 3.975 3.975 4.241 -0.266 18221
8715 1 17 . 1 1 54 54 SER C C 45 177.131 177.131 176.498 0.633 18221
8716 1 17 . 1 1 54 54 SER CA C 45 61.210 61.210 62.151 -0.941 18221
8717 1 17 . 1 1 54 54 SER CB C 45 62.255 62.255 63.043 -0.788 18221
8718 1 17 . 1 1 54 54 SER H H 45 7.944 7.944 8.207 -0.263 18221
8719 1 17 . 1 1 55 55 ILE N N 46 122.912 122.912 118.727 4.185 18221
8720 1 17 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.939 -0.182 18221
8721 1 17 . 1 1 55 55 ILE C C 46 177.813 177.813 177.263 0.550 18221
8722 1 17 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.066 0.125 18221
8723 1 17 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.479 -0.553 18221
8724 1 17 . 1 1 55 55 ILE H H 46 8.028 8.028 8.429 -0.401 18221
8725 1 17 . 1 1 56 56 ALA N N 47 122.990 122.990 122.955 0.035 18221
8726 1 17 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.022 -0.066 18221
8727 1 17 . 1 1 56 56 ALA C C 47 180.294 180.294 178.828 1.466 18221
8728 1 17 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.222 0.116 18221
8729 1 17 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.673 -0.971 18221
8730 1 17 . 1 1 56 56 ALA H H 47 8.333 8.333 7.881 0.452 18221
8731 1 17 . 1 1 57 57 ALA N N 48 121.988 121.988 121.181 0.807 18221
8732 1 17 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.208 -0.140 18221
8733 1 17 . 1 1 57 57 ALA CA C 48 54.421 54.421 52.611 1.810 18221
8734 1 17 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.663 -1.961 18221
8735 1 17 . 1 1 57 57 ALA H H 48 7.879 7.879 7.704 0.175 18221
8736 1 17 . 1 1 58 58 LYS N N 49 119.094 119.094 117.649 1.445 18221
8737 1 17 . 1 1 58 58 LYS HA H 49 4.146 4.146 4.043 0.103 18221
8738 1 17 . 1 1 58 58 LYS C C 49 179.649 179.649 175.678 3.971 18221
8739 1 17 . 1 1 58 58 LYS CA C 49 57.157 57.157 57.097 0.060 18221
8740 1 17 . 1 1 58 58 LYS CB C 49 31.330 31.330 30.250 1.080 18221
8741 1 17 . 1 1 58 58 LYS H H 49 7.727 7.727 8.219 -0.492 18221
8742 1 17 . 1 1 59 59 MET N N 50 120.498 120.498 120.321 0.177 18221
8743 1 17 . 1 1 59 59 MET HA H 50 4.156 4.156 4.525 -0.369 18221
8744 1 17 . 1 1 59 59 MET C C 50 177.949 177.949 177.094 0.855 18221
8745 1 17 . 1 1 59 59 MET CA C 50 57.136 57.136 55.255 1.881 18221
8746 1 17 . 1 1 59 59 MET CB C 50 31.922 31.922 33.491 -1.569 18221
8747 1 17 . 1 1 59 59 MET H H 50 8.395 8.395 8.333 0.062 18221
8748 1 17 . 1 1 60 60 MET N N 51 117.689 117.689 121.268 -3.579 18221
8749 1 17 . 1 1 60 60 MET HA H 51 4.222 4.222 4.631 -0.409 18221
8750 1 17 . 1 1 60 60 MET C C 51 177.674 177.674 176.550 1.124 18221
8751 1 17 . 1 1 60 60 MET CA C 51 57.638 57.638 57.134 0.504 18221
8752 1 17 . 1 1 60 60 MET CB C 51 31.785 31.785 33.741 -1.956 18221
8753 1 17 . 1 1 60 60 MET H H 51 8.234 8.234 8.581 -0.347 18221
8754 1 17 . 1 1 61 61 SER N N 52 114.385 114.385 113.646 0.739 18221
8755 1 17 . 1 1 61 61 SER HA H 52 4.001 4.001 4.784 -0.783 18221
8756 1 17 . 1 1 61 61 SER C C 52 176.079 176.079 173.438 2.641 18221
8757 1 17 . 1 1 61 61 SER CA C 52 59.911 59.911 57.806 2.105 18221
8758 1 17 . 1 1 61 61 SER CB C 52 62.624 62.624 64.677 -2.053 18221
8759 1 17 . 1 1 61 61 SER H H 52 7.893 7.893 7.928 -0.035 18221
8760 1 17 . 1 1 62 62 THR N N 53 117.304 117.304 117.887 -0.583 18221
8761 1 17 . 1 1 62 62 THR HA H 53 4.104 4.104 4.375 -0.271 18221
8762 1 17 . 1 1 62 62 THR C C 53 175.436 175.436 173.644 1.792 18221
8763 1 17 . 1 1 62 62 THR CA C 53 64.220 64.220 62.260 1.960 18221
8764 1 17 . 1 1 62 62 THR CB C 53 68.514 68.514 69.494 -0.980 18221
8765 1 17 . 1 1 62 62 THR H H 53 7.794 7.794 8.349 -0.555 18221
8766 1 17 . 1 1 63 63 ALA N N 54 125.382 125.382 125.798 -0.416 18221
8767 1 17 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.139 -0.045 18221
8768 1 17 . 1 1 63 63 ALA C C 54 178.328 178.328 176.678 1.650 18221
8769 1 17 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.128 1.968 18221
8770 1 17 . 1 1 63 63 ALA CB C 54 17.708 17.708 18.678 -0.970 18221
8771 1 17 . 1 1 63 63 ALA H H 54 8.204 8.204 8.058 0.146 18221
8772 1 17 . 1 1 64 64 ALA N N 55 119.929 119.929 125.565 -5.636 18221
8773 1 17 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.414 -0.289 18221
8774 1 17 . 1 1 64 64 ALA C C 55 179.183 179.183 178.107 1.076 18221
8775 1 17 . 1 1 64 64 ALA CA C 55 54.037 54.037 51.708 2.329 18221
8776 1 17 . 1 1 64 64 ALA CB C 55 17.708 17.708 19.627 -1.919 18221
8777 1 17 . 1 1 64 64 ALA H H 55 7.951 7.951 8.176 -0.225 18221
8778 1 17 . 1 1 65 65 ILE N N 56 117.016 117.016 117.437 -0.421 18221
8779 1 17 . 1 1 65 65 ILE HA H 56 3.950 3.950 3.708 0.242 18221
8780 1 17 . 1 1 65 65 ILE C C 56 177.222 177.222 175.159 2.063 18221
8781 1 17 . 1 1 65 65 ILE CA C 56 62.184 62.184 62.431 -0.247 18221
8782 1 17 . 1 1 65 65 ILE CB C 56 37.073 37.073 38.699 -1.626 18221
8783 1 17 . 1 1 65 65 ILE H H 56 7.561 7.561 8.205 -0.644 18221
8784 1 17 . 1 1 66 66 ALA N N 57 124.191 124.191 122.355 1.836 18221
8785 1 17 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.352 -0.175 18221
8786 1 17 . 1 1 66 66 ALA C C 57 178.190 178.190 176.565 1.625 18221
8787 1 17 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.336 1.200 18221
8788 1 17 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.722 -1.793 18221
8789 1 17 . 1 1 66 66 ALA H H 57 7.982 7.982 8.283 -0.301 18221
8790 1 17 . 1 1 67 67 ASN N N 58 116.132 116.132 118.088 -1.956 18221
8791 1 17 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.490 0.183 18221
8792 1 17 . 1 1 67 67 ASN C C 58 176.344 176.344 177.014 -0.670 18221
8793 1 17 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.782 -0.305 18221
8794 1 17 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.688 -0.216 18221
8795 1 17 . 1 1 67 67 ASN H H 58 8.113 8.113 8.192 -0.079 18221
8796 1 17 . 1 1 68 68 GLY N N 59 108.808 108.808 111.462 -2.654 18221
8797 1 17 . 1 1 68 68 GLY C C 59 174.958 174.958 174.057 0.901 18221
8798 1 17 . 1 1 68 68 GLY CA C 59 45.655 45.655 44.770 0.885 18221
8799 1 17 . 1 1 68 68 GLY H H 59 8.152 8.152 8.798 -0.646 18221
8800 1 17 . 1 1 69 69 GLY N N 60 108.832 108.832 110.338 -1.506 18221
8801 1 17 . 1 1 69 69 GLY C C 60 174.631 174.631 174.152 0.479 18221
8802 1 17 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.219 1.200 18221
8803 1 17 . 1 1 69 69 GLY H H 60 8.218 8.218 7.708 0.510 18221
8804 1 17 . 1 1 70 70 GLY N N 61 108.966 108.966 107.587 1.379 18221
8805 1 17 . 1 1 70 70 GLY C C 61 174.594 174.594 174.386 0.208 18221
8806 1 17 . 1 1 70 70 GLY CA C 61 45.360 45.360 45.214 0.146 18221
8807 1 17 . 1 1 70 70 GLY H H 61 8.175 8.175 7.985 0.190 18221
8808 1 17 . 1 1 71 71 VAL N N 62 120.209 120.209 123.273 -3.064 18221
8809 1 17 . 1 1 71 71 VAL HA H 62 4.006 4.006 4.135 -0.129 18221
8810 1 17 . 1 1 71 71 VAL C C 62 176.077 176.077 175.995 0.082 18221
8811 1 17 . 1 1 71 71 VAL CA C 62 62.390 62.390 62.483 -0.093 18221
8812 1 17 . 1 1 71 71 VAL CB C 62 31.698 31.698 31.872 -0.174 18221
8813 1 17 . 1 1 71 71 VAL H H 62 7.882 7.882 8.467 -0.585 18221
8814 1 17 . 1 1 72 72 ALA N N 63 126.966 126.966 127.575 -0.609 18221
8815 1 17 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.090 -0.064 18221
8816 1 17 . 1 1 72 72 ALA C C 63 178.064 178.064 176.182 1.882 18221
8817 1 17 . 1 1 72 72 ALA CA C 63 52.503 52.503 53.313 -0.810 18221
8818 1 17 . 1 1 72 72 ALA CB C 63 18.225 18.225 18.369 -0.144 18221
8819 1 17 . 1 1 72 72 ALA H H 63 8.237 8.237 8.425 -0.188 18221
8820 1 17 . 1 1 73 73 ALA N N 64 123.432 123.432 119.799 3.633 18221
8821 1 17 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.624 -0.609 18221
8822 1 17 . 1 1 73 73 ALA C C 64 178.995 178.995 175.896 3.099 18221
8823 1 17 . 1 1 73 73 ALA CA C 64 54.421 54.421 51.857 2.564 18221
8824 1 17 . 1 1 73 73 ALA CB C 64 18.003 18.003 19.671 -1.668 18221
8825 1 17 . 1 1 73 73 ALA H H 64 8.421 8.421 7.889 0.532 18221
8826 1 17 . 1 1 74 74 GLY N N 65 105.577 105.577 107.332 -1.755 18221
8827 1 17 . 1 1 74 74 GLY C C 65 176.367 176.367 175.900 0.467 18221
8828 1 17 . 1 1 74 74 GLY CA C 65 46.244 46.244 45.659 0.585 18221
8829 1 17 . 1 1 74 74 GLY H H 65 8.448 8.448 8.400 0.048 18221
8830 1 17 . 1 1 75 75 SER N N 66 117.656 117.656 117.232 0.424 18221
8831 1 17 . 1 1 75 75 SER HA H 66 4.394 4.394 4.297 0.097 18221
8832 1 17 . 1 1 75 75 SER C C 66 176.329 176.329 176.805 -0.476 18221
8833 1 17 . 1 1 75 75 SER CA C 66 60.236 60.236 60.242 -0.006 18221
8834 1 17 . 1 1 75 75 SER CB C 66 62.476 62.476 62.794 -0.318 18221
8835 1 17 . 1 1 75 75 SER H H 66 7.899 7.899 8.095 -0.196 18221
8836 1 17 . 1 1 76 76 LEU N N 67 122.743 122.743 121.730 1.013 18221
8837 1 17 . 1 1 76 76 LEU HA H 67 4.050 4.050 4.007 0.043 18221
8838 1 17 . 1 1 76 76 LEU C C 67 178.442 178.442 178.048 0.394 18221
8839 1 17 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.773 -0.252 18221
8840 1 17 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.849 -1.168 18221
8841 1 17 . 1 1 76 76 LEU H H 67 7.955 7.955 8.184 -0.229 18221
8842 1 17 . 1 1 77 77 VAL N N 68 118.400 118.400 118.074 0.326 18221
8843 1 17 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.481 -0.010 18221
8844 1 17 . 1 1 77 77 VAL C C 68 177.297 177.297 177.660 -0.363 18221
8845 1 17 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.439 0.231 18221
8846 1 17 . 1 1 77 77 VAL CB C 68 30.520 30.520 30.875 -0.354 18221
8847 1 17 . 1 1 77 77 VAL H H 68 8.039 8.039 8.023 0.016 18221
8848 1 17 . 1 1 78 78 ALA N N 69 121.927 121.927 122.065 -0.138 18221
8849 1 17 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.047 0.158 18221
8850 1 17 . 1 1 78 78 ALA C C 69 181.258 181.258 179.910 1.348 18221
8851 1 17 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.151 -0.169 18221
8852 1 17 . 1 1 78 78 ALA CB C 69 17.414 17.414 17.998 -0.584 18221
8853 1 17 . 1 1 78 78 ALA H H 69 7.631 7.631 7.945 -0.314 18221
8854 1 17 . 1 1 79 79 ILE N N 70 119.782 119.782 119.556 0.226 18221
8855 1 17 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.655 0.141 18221
8856 1 17 . 1 1 79 79 ILE C C 70 178.253 178.253 177.858 0.395 18221
8857 1 17 . 1 1 79 79 ILE CA C 70 64.352 64.352 64.803 -0.451 18221
8858 1 17 . 1 1 79 79 ILE CB C 70 37.073 37.073 38.059 -0.987 18221
8859 1 17 . 1 1 79 79 ILE H H 70 7.841 7.841 7.428 0.413 18221
8860 1 17 . 1 1 80 80 LEU N N 71 120.841 120.841 120.422 0.419 18221
8861 1 17 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.758 0.179 18221
8862 1 17 . 1 1 80 80 LEU C C 71 179.234 179.234 178.545 0.689 18221
8863 1 17 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.483 -0.638 18221
8864 1 17 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.852 -1.833 18221
8865 1 17 . 1 1 80 80 LEU H H 71 8.190 8.190 8.251 -0.061 18221
8866 1 17 . 1 1 81 81 GLN N N 72 117.558 117.558 118.033 -0.475 18221
8867 1 17 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.869 0.100 18221
8868 1 17 . 1 1 81 81 GLN C C 72 178.530 178.530 178.607 -0.077 18221
8869 1 17 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.537 -0.718 18221
8870 1 17 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.701 -1.421 18221
8871 1 17 . 1 1 81 81 GLN H H 72 8.489 8.489 8.418 0.071 18221
8872 1 17 . 1 1 82 82 SER N N 73 116.103 116.103 115.705 0.398 18221
8873 1 17 . 1 1 82 82 SER HA H 73 4.233 4.233 4.163 0.070 18221
8874 1 17 . 1 1 82 82 SER C C 73 177.243 177.243 176.697 0.546 18221
8875 1 17 . 1 1 82 82 SER CA C 73 61.044 61.044 62.388 -1.344 18221
8876 1 17 . 1 1 82 82 SER CB C 73 62.257 62.257 63.012 -0.755 18221
8877 1 17 . 1 1 82 82 SER H H 73 7.855 7.855 8.153 -0.298 18221
8878 1 17 . 1 1 83 83 VAL N N 74 120.362 120.362 121.338 -0.976 18221
8879 1 17 . 1 1 83 83 VAL C C 74 177.979 177.979 177.637 0.342 18221
8880 1 17 . 1 1 83 83 VAL CA C 74 65.106 65.106 66.109 -1.003 18221
8881 1 17 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.024 -0.283 18221
8882 1 17 . 1 1 83 83 VAL H H 74 8.030 8.030 8.152 -0.122 18221
8883 1 17 . 1 1 84 84 GLY N N 75 108.223 108.223 107.004 1.219 18221
8884 1 17 . 1 1 84 84 GLY C C 75 174.913 174.913 175.551 -0.638 18221
8885 1 17 . 1 1 84 84 GLY CA C 75 46.777 46.777 46.804 -0.028 18221
8886 1 17 . 1 1 84 84 GLY H H 75 8.369 8.369 7.832 0.537 18221
8887 1 17 . 1 1 85 85 ALA N N 76 123.550 123.550 124.435 -0.885 18221
8888 1 17 . 1 1 85 85 ALA HA H 76 4.094 4.094 3.956 0.138 18221
8889 1 17 . 1 1 85 85 ALA CA C 76 54.598 54.598 55.180 -0.582 18221
8890 1 17 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.375 -0.752 18221
8891 1 17 . 1 1 85 85 ALA H H 76 8.115 8.115 8.096 0.019 18221
8892 1 17 . 1 1 86 86 ALA N N 77 120.410 120.410 120.554 -0.144 18221
8893 1 17 . 1 1 86 86 ALA C C 77 178.988 178.988 179.545 -0.557 18221
8894 1 17 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.293 -0.457 18221
8895 1 17 . 1 1 86 86 ALA CB C 77 17.510 17.510 18.172 -0.662 18221
8896 1 17 . 1 1 86 86 ALA H H 77 8.632 8.632 8.493 0.139 18221
8897 1 17 . 1 1 87 87 GLY N N 78 105.706 105.706 107.371 -1.665 18221
8898 1 17 . 1 1 87 87 GLY C C 78 175.939 175.939 176.000 -0.061 18221
8899 1 17 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.783 -0.665 18221
8900 1 17 . 1 1 87 87 GLY H H 78 8.196 8.196 7.904 0.292 18221
8901 1 17 . 1 1 88 88 LEU N N 79 124.128 124.128 121.931 2.197 18221
8902 1 17 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.983 -0.581 18221
8903 1 17 . 1 1 88 88 LEU CB C 79 40.387 40.387 42.053 -1.666 18221
8904 1 17 . 1 1 88 88 LEU H H 79 8.449 8.449 8.384 0.065 18221
8905 1 17 . 1 1 89 89 SER N N 80 116.251 116.251 115.307 0.944 18221
8906 1 17 . 1 1 89 89 SER C C 80 179.153 179.153 176.599 2.554 18221
8907 1 17 . 1 1 89 89 SER CA C 80 61.023 61.023 61.891 -0.868 18221
8908 1 17 . 1 1 89 89 SER CB C 80 62.255 62.255 63.306 -1.051 18221
8909 1 17 . 1 1 89 89 SER H H 80 8.120 8.120 8.214 -0.094 18221
8910 1 17 . 1 1 90 90 VAL N N 81 119.310 119.310 121.520 -2.210 18221
8911 1 17 . 1 1 90 90 VAL C C 81 177.652 177.652 177.499 0.153 18221
8912 1 17 . 1 1 90 90 VAL CA C 81 65.076 65.076 66.010 -0.935 18221
8913 1 17 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.901 -0.571 18221
8914 1 17 . 1 1 90 90 VAL H H 81 7.955 7.955 7.964 -0.009 18221
8915 1 17 . 1 1 91 91 THR N N 82 115.535 115.535 116.196 -0.661 18221
8916 1 17 . 1 1 91 91 THR C C 82 176.571 176.571 176.668 -0.097 18221
8917 1 17 . 1 1 91 91 THR CA C 82 66.434 66.434 66.838 -0.404 18221
8918 1 17 . 1 1 91 91 THR CB C 82 67.742 67.742 68.165 -0.423 18221
8919 1 17 . 1 1 91 91 THR H H 82 7.888 7.888 8.466 -0.578 18221
8920 1 17 . 1 1 92 92 SER N N 83 116.537 116.537 117.976 -1.439 18221
8921 1 17 . 1 1 92 92 SER HA H 83 4.040 4.040 4.021 0.019 18221
8922 1 17 . 1 1 92 92 SER C C 83 176.761 176.761 176.715 0.046 18221
8923 1 17 . 1 1 92 92 SER CA C 83 61.564 61.564 61.765 -0.201 18221
8924 1 17 . 1 1 92 92 SER CB C 83 62.009 62.009 62.688 -0.679 18221
8925 1 17 . 1 1 92 92 SER H H 83 8.212 8.212 8.142 0.070 18221
8926 1 17 . 1 1 93 93 LYS N N 84 122.353 122.353 121.779 0.574 18221
8927 1 17 . 1 1 93 93 LYS HA H 84 4.119 4.119 4.020 0.099 18221
8928 1 17 . 1 1 93 93 LYS C C 84 172.812 172.812 179.371 -6.559 18221
8929 1 17 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.525 -1.090 18221
8930 1 17 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.550 -1.073 18221
8931 1 17 . 1 1 93 93 LYS H H 84 7.642 7.642 8.169 -0.527 18221
8932 1 17 . 1 1 94 94 VAL N N 85 119.348 119.348 116.534 2.814 18221
8933 1 17 . 1 1 94 94 VAL C C 85 177.948 177.948 177.384 0.564 18221
8934 1 17 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.404 -0.015 18221
8935 1 17 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.474 0.372 18221
8936 1 17 . 1 1 94 94 VAL H H 85 8.414 8.414 7.808 0.606 18221
8937 1 17 . 1 1 95 95 ILE N N 86 118.769 118.769 119.191 -0.422 18221
8938 1 17 . 1 1 95 95 ILE C C 86 177.972 177.972 176.154 1.818 18221
8939 1 17 . 1 1 95 95 ILE CA C 86 63.837 63.837 64.032 -0.195 18221
8940 1 17 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.690 -2.058 18221
8941 1 17 . 1 1 95 95 ILE H H 86 8.169 8.169 7.644 0.525 18221
8942 1 17 . 1 1 96 96 GLY N N 87 107.955 107.955 104.885 3.070 18221
8943 1 17 . 1 1 96 96 GLY C C 87 176.571 176.571 174.088 2.483 18221
8944 1 17 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.837 1.674 18221
8945 1 17 . 1 1 96 96 GLY H H 87 8.182 8.182 8.357 -0.175 18221
8946 1 17 . 1 1 97 97 GLY N N 88 109.117 109.117 114.069 -4.952 18221
8947 1 17 . 1 1 97 97 GLY C C 88 175.524 175.524 173.727 1.797 18221
8948 1 17 . 1 1 97 97 GLY CA C 88 45.832 45.832 46.489 -0.657 18221
8949 1 17 . 1 1 97 97 GLY H H 88 7.953 7.953 8.403 -0.450 18221
8950 1 17 . 1 1 98 98 PHE N N 89 121.100 121.100 122.614 -1.514 18221
8951 1 17 . 1 1 98 98 PHE C C 89 176.367 176.367 174.229 2.138 18221
8952 1 17 . 1 1 98 98 PHE CA C 89 56.900 56.900 57.549 -0.649 18221
8953 1 17 . 1 1 98 98 PHE CB C 89 38.832 38.832 40.001 -1.169 18221
8954 1 17 . 1 1 98 98 PHE H H 89 8.000 8.000 8.246 -0.246 18221
8955 1 17 . 1 1 99 99 ALA N N 90 122.834 122.834 122.567 0.267 18221
8956 1 17 . 1 1 99 99 ALA C C 90 178.348 178.348 175.923 2.425 18221
8957 1 17 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.547 2.730 18221
8958 1 17 . 1 1 99 99 ALA CB C 90 17.414 17.414 20.335 -2.921 18221
8959 1 17 . 1 1 99 99 ALA H H 90 8.322 8.322 7.946 0.376 18221
8960 1 17 . 1 1 100 100 GLY N N 91 106.688 106.688 110.552 -3.864 18221
8961 1 17 . 1 1 100 100 GLY C C 91 175.878 175.878 173.757 2.121 18221
8962 1 17 . 1 1 100 100 GLY CA C 91 45.626 45.626 44.692 0.934 18221
8963 1 17 . 1 1 100 100 GLY H H 91 8.000 8.000 7.867 0.133 18221
8964 1 17 . 1 1 101 101 THR N N 92 115.689 115.689 112.068 3.621 18221
8965 1 17 . 1 1 101 101 THR C C 92 178.476 178.476 174.810 3.666 18221
8966 1 17 . 1 1 101 101 THR CA C 92 63.364 63.364 61.635 1.729 18221
8967 1 17 . 1 1 101 101 THR CB C 92 69.619 69.619 69.038 0.581 18221
8968 1 17 . 1 1 101 101 THR H H 92 7.754 7.754 7.945 -0.191 18221
8969 1 17 . 1 1 102 102 ALA N N 93 124.835 124.835 127.721 -2.886 18221
8970 1 17 . 1 1 102 102 ALA CA C 93 54.311 54.311 53.440 0.871 18221
8971 1 17 . 1 1 102 102 ALA CB C 93 17.679 17.679 18.921 -1.242 18221
8972 1 17 . 1 1 102 102 ALA H H 93 7.919 7.919 8.338 -0.419 18221
8973 1 17 . 1 1 103 103 LEU N N 94 117.445 117.445 117.813 -0.368 18221
8974 1 17 . 1 1 103 103 LEU CA C 94 56.782 56.782 54.619 2.163 18221
8975 1 17 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.480 -0.578 18221
8976 1 17 . 1 1 103 103 LEU H H 94 8.037 8.037 8.063 -0.026 18221
8977 1 17 . 1 1 104 104 GLY N N 95 106.296 106.296 107.324 -1.028 18221
8978 1 17 . 1 1 104 104 GLY C C 95 175.851 175.851 173.159 2.692 18221
8979 1 17 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.164 2.405 18221
8980 1 17 . 1 1 104 104 GLY H H 95 7.900 7.900 7.993 -0.093 18221
8981 1 17 . 1 1 105 105 ALA N N 96 123.872 123.872 120.567 3.305 18221
8982 1 17 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.414 1.712 18221
8983 1 17 . 1 1 105 105 ALA CB C 96 17.587 17.587 19.222 -1.635 18221
8984 1 17 . 1 1 105 105 ALA H H 96 7.804 7.804 8.054 -0.250 18221
8985 1 17 . 1 1 106 106 TRP N N 97 120.348 120.348 120.010 0.338 18221
8986 1 17 . 1 1 106 106 TRP C C 97 176.857 176.857 175.175 1.682 18221
8987 1 17 . 1 1 106 106 TRP CA C 97 56.900 56.900 55.372 1.528 18221
8988 1 17 . 1 1 106 106 TRP H H 97 8.385 8.385 7.544 0.841 18221
8989 1 17 . 1 1 107 107 LEU N N 98 117.756 117.756 124.331 -6.575 18221
8990 1 17 . 1 1 107 107 LEU C C 98 177.659 177.659 176.633 1.026 18221
8991 1 17 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.194 -0.091 18221
8992 1 17 . 1 1 107 107 LEU CB C 98 41.418 41.418 42.103 -0.685 18221
8993 1 17 . 1 1 107 107 LEU H H 98 7.880 7.880 8.439 -0.559 18221
8994 1 17 . 1 1 108 108 GLY N N 99 107.285 107.285 112.015 -4.730 18221
8995 1 17 . 1 1 108 108 GLY C C 99 173.815 173.815 174.599 -0.784 18221
8996 1 17 . 1 1 108 108 GLY CA C 99 44.947 44.947 45.143 -0.196 18221
8997 1 17 . 1 1 108 108 GLY H H 99 7.694 7.694 8.802 -1.108 18221
8998 1 17 . 1 1 109 109 SER N N 100 117.139 117.139 116.800 0.339 18221
8999 1 17 . 1 1 109 109 SER C C 100 172.179 172.179 172.715 -0.536 18221
9000 1 17 . 1 1 109 109 SER CA C 100 56.015 56.015 57.023 -1.008 18221
9001 1 17 . 1 1 109 109 SER CB C 100 62.771 62.771 63.840 -1.069 18221
9002 1 17 . 1 1 109 109 SER H H 100 8.030 8.030 8.237 -0.207 18221
9003 1 17 . 1 1 111 111 PRO C C 102 177.073 177.073 177.335 -0.262 18221
9004 1 17 . 1 1 111 111 PRO CA C 102 62.199 62.199 62.415 -0.216 18221
9005 1 17 . 1 1 111 111 PRO CB C 102 31.211 31.211 32.392 -1.181 18221
9006 1 17 . 1 1 112 112 SER N N 103 117.115 117.115 116.095 1.020 18221
9007 1 17 . 1 1 112 112 SER C C 103 173.898 173.898 175.086 -1.188 18221
9008 1 17 . 1 1 112 112 SER CA C 103 57.904 57.904 59.951 -2.047 18221
9009 1 17 . 1 1 112 112 SER CB C 103 63.360 63.360 63.482 -0.122 18221
9010 1 17 . 1 1 112 112 SER H H 103 8.345 8.345 8.373 -0.028 18221
9011 1 18 . 1 1 11 11 GLY N N 2 109.366 109.366 108.532 0.834 18221
9012 1 18 . 1 1 11 11 GLY C C 2 174.543 174.543 172.656 1.887 18221
9013 1 18 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.553 0.142 18221
9014 1 18 . 1 1 11 11 GLY H H 2 8.271 8.271 8.363 -0.092 18221
9015 1 18 . 1 1 12 12 LYS N N 3 121.129 121.129 118.470 2.659 18221
9016 1 18 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.357 -0.225 18221
9017 1 18 . 1 1 12 12 LYS C C 3 177.234 177.234 176.512 0.722 18221
9018 1 18 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.199 0.613 18221
9019 1 18 . 1 1 12 12 LYS CB C 3 31.846 31.846 33.424 -1.578 18221
9020 1 18 . 1 1 12 12 LYS H H 3 8.057 8.057 8.467 -0.410 18221
9021 1 18 . 1 1 13 13 GLU N N 4 120.318 120.318 120.027 0.291 18221
9022 1 18 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.493 -0.338 18221
9023 1 18 . 1 1 13 13 GLU C C 4 176.857 176.857 176.366 0.491 18221
9024 1 18 . 1 1 13 13 GLU CA C 4 56.871 56.871 57.153 -0.282 18221
9025 1 18 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.470 -2.082 18221
9026 1 18 . 1 1 13 13 GLU H H 4 8.398 8.398 8.368 0.030 18221
9027 1 18 . 1 1 14 14 SER N N 5 115.504 115.504 116.086 -0.582 18221
9028 1 18 . 1 1 14 14 SER HA H 5 3.843 3.843 4.723 -0.880 18221
9029 1 18 . 1 1 14 14 SER C C 5 175.337 175.337 173.959 1.378 18221
9030 1 18 . 1 1 14 14 SER CA C 5 58.524 58.524 57.732 0.792 18221
9031 1 18 . 1 1 14 14 SER CB C 5 63.360 63.360 63.969 -0.609 18221
9032 1 18 . 1 1 14 14 SER H H 5 8.089 8.089 8.073 0.016 18221
9033 1 18 . 1 1 15 15 GLY N N 6 110.761 110.761 112.001 -1.240 18221
9034 1 18 . 1 1 15 15 GLY C C 6 174.581 174.581 172.711 1.870 18221
9035 1 18 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.173 0.393 18221
9036 1 18 . 1 1 15 15 GLY H H 6 8.197 8.197 8.283 -0.086 18221
9037 1 18 . 1 1 16 16 TRP N N 7 121.800 121.800 121.859 -0.059 18221
9038 1 18 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.786 -0.226 18221
9039 1 18 . 1 1 16 16 TRP C C 7 176.920 176.920 175.358 1.562 18221
9040 1 18 . 1 1 16 16 TRP CA C 7 58.081 58.081 56.637 1.444 18221
9041 1 18 . 1 1 16 16 TRP CB C 7 28.679 28.679 30.789 -2.110 18221
9042 1 18 . 1 1 16 16 TRP H H 7 8.184 8.184 8.683 -0.499 18221
9043 1 18 . 1 1 17 17 ASP N N 8 121.132 121.132 124.985 -3.853 18221
9044 1 18 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.529 -0.134 18221
9045 1 18 . 1 1 17 17 ASP C C 8 176.941 176.941 176.481 0.460 18221
9046 1 18 . 1 1 17 17 ASP CA C 8 56.244 56.244 55.670 0.574 18221
9047 1 18 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.281 -1.336 18221
9048 1 18 . 1 1 17 17 ASP H H 8 8.332 8.332 8.584 -0.252 18221
9049 1 18 . 1 1 18 18 SER N N 9 116.148 116.148 114.849 1.299 18221
9050 1 18 . 1 1 18 18 SER HA H 9 3.861 3.861 4.298 -0.437 18221
9051 1 18 . 1 1 18 18 SER CA C 9 60.081 60.081 58.107 1.974 18221
9052 1 18 . 1 1 18 18 SER CB C 9 62.255 62.255 63.728 -1.473 18221
9053 1 18 . 1 1 18 18 SER H H 9 8.129 8.129 8.488 -0.359 18221
9054 1 18 . 1 1 19 19 GLY N N 10 110.747 110.747 111.319 -0.572 18221
9055 1 18 . 1 1 19 19 GLY C C 10 174.682 174.682 175.072 -0.390 18221
9056 1 18 . 1 1 19 19 GLY CA C 10 46.600 46.600 44.530 2.070 18221
9057 1 18 . 1 1 19 19 GLY H H 10 8.216 8.216 8.432 -0.216 18221
9058 1 18 . 1 1 20 20 ARG N N 11 121.405 121.405 120.015 1.390 18221
9059 1 18 . 1 1 20 20 ARG HA H 11 3.857 3.857 3.946 -0.089 18221
9060 1 18 . 1 1 20 20 ARG C C 11 178.328 178.328 179.039 -0.711 18221
9061 1 18 . 1 1 20 20 ARG CA C 11 59.085 59.085 59.295 -0.210 18221
9062 1 18 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.182 -1.135 18221
9063 1 18 . 1 1 20 20 ARG H H 11 8.158 8.158 8.620 -0.462 18221
9064 1 18 . 1 1 21 21 ALA N N 12 122.167 122.167 122.253 -0.086 18221
9065 1 18 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.064 0.036 18221
9066 1 18 . 1 1 21 21 ALA C C 12 180.129 180.129 179.422 0.707 18221
9067 1 18 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.779 -0.387 18221
9068 1 18 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.923 -0.509 18221
9069 1 18 . 1 1 21 21 ALA H H 12 7.963 7.963 8.361 -0.398 18221
9070 1 18 . 1 1 22 22 ALA N N 13 122.150 122.150 121.224 0.926 18221
9071 1 18 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.964 0.073 18221
9072 1 18 . 1 1 22 22 ALA C C 13 179.095 179.095 179.963 -0.868 18221
9073 1 18 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.857 -0.141 18221
9074 1 18 . 1 1 22 22 ALA CB C 13 17.561 17.561 17.957 -0.397 18221
9075 1 18 . 1 1 22 22 ALA H H 13 7.881 7.881 8.364 -0.483 18221
9076 1 18 . 1 1 23 23 VAL N N 14 117.107 117.107 119.340 -2.233 18221
9077 1 18 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.486 -0.006 18221
9078 1 18 . 1 1 23 23 VAL C C 14 177.586 177.586 177.998 -0.412 18221
9079 1 18 . 1 1 23 23 VAL CA C 14 66.198 66.198 66.705 -0.507 18221
9080 1 18 . 1 1 23 23 VAL CB C 14 30.520 30.520 31.325 -0.804 18221
9081 1 18 . 1 1 23 23 VAL H H 14 7.888 7.888 7.940 -0.052 18221
9082 1 18 . 1 1 24 24 ALA N N 15 121.333 121.333 121.365 -0.032 18221
9083 1 18 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.919 0.062 18221
9084 1 18 . 1 1 24 24 ALA C C 15 180.373 180.373 179.342 1.031 18221
9085 1 18 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.119 -0.108 18221
9086 1 18 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.669 -0.417 18221
9087 1 18 . 1 1 24 24 ALA H H 15 8.037 8.037 7.764 0.273 18221
9088 1 18 . 1 1 25 25 ALA N N 16 121.158 121.158 119.861 1.297 18221
9089 1 18 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.140 0.006 18221
9090 1 18 . 1 1 25 25 ALA C C 16 179.828 179.828 178.671 1.157 18221
9091 1 18 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.792 -0.341 18221
9092 1 18 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.452 -0.965 18221
9093 1 18 . 1 1 25 25 ALA H H 16 7.819 7.819 7.862 -0.043 18221
9094 1 18 . 1 1 26 26 VAL N N 17 118.417 118.417 117.265 1.152 18221
9095 1 18 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.848 -0.070 18221
9096 1 18 . 1 1 26 26 VAL C C 17 178.020 178.020 177.009 1.011 18221
9097 1 18 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.491 2.087 18221
9098 1 18 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.789 -0.704 18221
9099 1 18 . 1 1 26 26 VAL H H 17 7.848 7.848 7.512 0.336 18221
9100 1 18 . 1 1 27 27 VAL N N 18 119.240 119.240 119.799 -0.559 18221
9101 1 18 . 1 1 27 27 VAL C C 18 177.719 177.719 176.590 1.129 18221
9102 1 18 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.439 1.552 18221
9103 1 18 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.102 -1.915 18221
9104 1 18 . 1 1 27 27 VAL H H 18 8.377 8.377 7.671 0.706 18221
9105 1 18 . 1 1 28 28 GLY N N 19 106.009 106.009 106.611 -0.602 18221
9106 1 18 . 1 1 28 28 GLY C C 19 176.212 176.212 174.115 2.097 18221
9107 1 18 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.451 -0.207 18221
9108 1 18 . 1 1 28 28 GLY H H 19 8.122 8.122 8.217 -0.095 18221
9109 1 18 . 1 1 29 29 GLY N N 20 110.216 110.216 110.440 -0.224 18221
9110 1 18 . 1 1 29 29 GLY C C 20 174.097 174.097 175.384 -1.287 18221
9111 1 18 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.591 1.743 18221
9112 1 18 . 1 1 29 29 GLY H H 20 8.039 8.039 8.048 -0.009 18221
9113 1 18 . 1 1 30 30 VAL N N 21 121.188 121.188 119.704 1.484 18221
9114 1 18 . 1 1 30 30 VAL C C 21 177.073 177.073 177.626 -0.553 18221
9115 1 18 . 1 1 30 30 VAL CA C 21 62.574 62.574 65.431 -2.857 18221
9116 1 18 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.270 -0.479 18221
9117 1 18 . 1 1 30 30 VAL H H 21 7.983 7.983 8.209 -0.226 18221
9118 1 18 . 1 1 32 32 ALA N N 23 125.091 125.091 121.853 3.238 18221
9119 1 18 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.002 0.258 18221
9120 1 18 . 1 1 32 32 ALA C C 23 179.523 179.523 179.819 -0.296 18221
9121 1 18 . 1 1 32 32 ALA CA C 23 53.683 53.683 54.969 -1.286 18221
9122 1 18 . 1 1 32 32 ALA CB C 23 16.383 16.383 17.852 -1.468 18221
9123 1 18 . 1 1 32 32 ALA H H 23 8.036 8.036 7.760 0.276 18221
9124 1 18 . 1 1 33 33 VAL N N 24 118.793 118.793 117.569 1.224 18221
9125 1 18 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.611 0.097 18221
9126 1 18 . 1 1 33 33 VAL C C 24 177.901 177.901 178.185 -0.284 18221
9127 1 18 . 1 1 33 33 VAL CA C 24 65.430 65.430 65.989 -0.559 18221
9128 1 18 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.305 0.013 18221
9129 1 18 . 1 1 33 33 VAL H H 24 8.195 8.195 8.119 0.076 18221
9130 1 18 . 1 1 34 34 GLY N N 25 108.367 108.367 108.408 -0.041 18221
9131 1 18 . 1 1 34 34 GLY C C 25 175.424 175.424 175.798 -0.374 18221
9132 1 18 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.516 -0.182 18221
9133 1 18 . 1 1 34 34 GLY H H 25 8.651 8.651 8.477 0.174 18221
9134 1 18 . 1 1 35 35 THR N N 26 116.448 116.448 119.336 -2.888 18221
9135 1 18 . 1 1 35 35 THR C C 26 176.843 176.843 177.035 -0.192 18221
9136 1 18 . 1 1 35 35 THR CA C 26 65.962 65.962 67.408 -1.446 18221
9137 1 18 . 1 1 35 35 THR CB C 26 68.414 68.414 68.731 -0.317 18221
9138 1 18 . 1 1 35 35 THR H H 26 7.975 7.975 8.217 -0.242 18221
9139 1 18 . 1 1 36 36 VAL N N 27 122.810 122.810 121.359 1.451 18221
9140 1 18 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.608 0.111 18221
9141 1 18 . 1 1 36 36 VAL C C 27 177.618 177.618 177.729 -0.111 18221
9142 1 18 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.562 -0.836 18221
9143 1 18 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.471 -0.804 18221
9144 1 18 . 1 1 36 36 VAL H H 27 7.559 7.559 8.080 -0.521 18221
9145 1 18 . 1 1 37 37 LEU N N 28 119.566 119.566 120.741 -1.175 18221
9146 1 18 . 1 1 37 37 LEU HA H 28 3.953 3.953 4.015 -0.062 18221
9147 1 18 . 1 1 37 37 LEU C C 28 179.666 179.666 179.101 0.565 18221
9148 1 18 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.487 -0.642 18221
9149 1 18 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.572 -1.406 18221
9150 1 18 . 1 1 37 37 LEU H H 28 8.086 8.086 7.759 0.327 18221
9151 1 18 . 1 1 38 38 VAL N N 29 119.468 119.468 118.620 0.848 18221
9152 1 18 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.507 0.146 18221
9153 1 18 . 1 1 38 38 VAL C C 29 178.639 178.639 177.932 0.707 18221
9154 1 18 . 1 1 38 38 VAL CA C 29 65.473 65.473 65.646 -0.173 18221
9155 1 18 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.121 -0.512 18221
9156 1 18 . 1 1 38 38 VAL H H 29 8.066 8.066 8.369 -0.303 18221
9157 1 18 . 1 1 39 39 ALA N N 30 124.255 124.255 122.757 1.498 18221
9158 1 18 . 1 1 39 39 ALA HA H 30 4.165 4.165 3.995 0.170 18221
9159 1 18 . 1 1 39 39 ALA C C 30 180.303 180.303 179.112 1.191 18221
9160 1 18 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.024 -0.190 18221
9161 1 18 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.442 -0.734 18221
9162 1 18 . 1 1 39 39 ALA H H 30 7.688 7.688 7.684 0.004 18221
9163 1 18 . 1 1 40 40 LEU N N 31 118.268 118.268 118.766 -0.498 18221
9164 1 18 . 1 1 40 40 LEU HA H 31 4.141 4.141 3.911 0.230 18221
9165 1 18 . 1 1 40 40 LEU C C 31 179.271 179.271 179.305 -0.034 18221
9166 1 18 . 1 1 40 40 LEU CA C 31 57.078 57.078 58.115 -1.038 18221
9167 1 18 . 1 1 40 40 LEU CB C 31 40.902 40.902 42.020 -1.118 18221
9168 1 18 . 1 1 40 40 LEU H H 31 8.326 8.326 8.087 0.239 18221
9169 1 18 . 1 1 41 41 SER N N 32 114.984 114.984 114.239 0.745 18221
9170 1 18 . 1 1 41 41 SER HA H 32 3.952 3.952 4.148 -0.196 18221
9171 1 18 . 1 1 41 41 SER C C 32 176.284 176.284 175.647 0.637 18221
9172 1 18 . 1 1 41 41 SER CA C 32 60.885 60.885 61.119 -0.234 18221
9173 1 18 . 1 1 41 41 SER CB C 32 62.410 62.410 62.987 -0.577 18221
9174 1 18 . 1 1 41 41 SER H H 32 8.062 8.062 8.158 -0.096 18221
9175 1 18 . 1 1 42 42 ALA N N 33 124.588 124.588 122.313 2.275 18221
9176 1 18 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.408 -0.183 18221
9177 1 18 . 1 1 42 42 ALA C C 33 179.033 179.033 177.501 1.532 18221
9178 1 18 . 1 1 42 42 ALA CA C 33 53.713 53.713 51.615 2.098 18221
9179 1 18 . 1 1 42 42 ALA CB C 33 17.929 17.929 17.007 0.922 18221
9180 1 18 . 1 1 42 42 ALA H H 33 7.813 7.813 7.687 0.126 18221
9181 1 18 . 1 1 43 43 MET N N 34 116.808 116.808 121.144 -4.336 18221
9182 1 18 . 1 1 43 43 MET HA H 34 4.285 4.285 4.600 -0.315 18221
9183 1 18 . 1 1 43 43 MET C C 34 176.807 176.807 177.398 -0.591 18221
9184 1 18 . 1 1 43 43 MET CA C 34 56.576 56.576 57.624 -1.048 18221
9185 1 18 . 1 1 43 43 MET CB C 34 32.435 32.435 33.512 -1.077 18221
9186 1 18 . 1 1 43 43 MET H H 34 7.691 7.691 7.668 0.023 18221
9187 1 18 . 1 1 44 44 GLY N N 35 107.020 107.020 104.901 2.119 18221
9188 1 18 . 1 1 44 44 GLY C C 35 174.493 174.493 174.043 0.450 18221
9189 1 18 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.080 -0.015 18221
9190 1 18 . 1 1 44 44 GLY H H 35 7.793 7.793 8.035 -0.242 18221
9191 1 18 . 1 1 45 45 PHE N N 36 120.285 120.285 119.526 0.759 18221
9192 1 18 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.150 0.357 18221
9193 1 18 . 1 1 45 45 PHE C C 36 176.876 176.876 174.106 2.770 18221
9194 1 18 . 1 1 45 45 PHE CA C 36 58.937 58.937 59.024 -0.087 18221
9195 1 18 . 1 1 45 45 PHE CB C 36 38.178 38.178 38.195 -0.017 18221
9196 1 18 . 1 1 45 45 PHE H H 36 8.215 8.215 8.109 0.106 18221
9197 1 18 . 1 1 46 46 THR N N 37 114.008 114.008 111.952 2.056 18221
9198 1 18 . 1 1 46 46 THR HA H 37 4.080 4.080 4.592 -0.512 18221
9199 1 18 . 1 1 46 46 THR C C 37 175.751 175.751 173.313 2.438 18221
9200 1 18 . 1 1 46 46 THR CA C 37 64.220 64.220 60.593 3.627 18221
9201 1 18 . 1 1 46 46 THR CB C 37 68.514 68.514 71.066 -2.552 18221
9202 1 18 . 1 1 46 46 THR H H 37 8.111 8.111 7.595 0.516 18221
9203 1 18 . 1 1 47 47 SER N N 38 116.646 116.646 117.281 -0.635 18221
9204 1 18 . 1 1 47 47 SER HA H 38 3.918 3.918 4.349 -0.431 18221
9205 1 18 . 1 1 47 47 SER C C 38 176.744 176.744 174.576 2.168 18221
9206 1 18 . 1 1 47 47 SER CA C 38 59.911 59.911 58.773 1.138 18221
9207 1 18 . 1 1 47 47 SER CB C 38 62.624 62.624 62.766 -0.142 18221
9208 1 18 . 1 1 47 47 SER H H 38 8.079 8.079 8.188 -0.109 18221
9209 1 18 . 1 1 48 48 VAL N N 39 121.929 121.929 124.434 -2.505 18221
9210 1 18 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.837 0.072 18221
9211 1 18 . 1 1 48 48 VAL C C 39 177.033 177.033 177.663 -0.630 18221
9212 1 18 . 1 1 48 48 VAL CA C 39 64.988 64.988 64.951 0.037 18221
9213 1 18 . 1 1 48 48 VAL CB C 39 30.667 30.667 30.716 -0.049 18221
9214 1 18 . 1 1 48 48 VAL H H 39 7.985 7.985 8.097 -0.112 18221
9215 1 18 . 1 1 49 49 GLY N N 40 108.633 108.633 107.824 0.809 18221
9216 1 18 . 1 1 49 49 GLY C C 40 176.038 176.038 176.562 -0.524 18221
9217 1 18 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.684 -0.819 18221
9218 1 18 . 1 1 49 49 GLY H H 40 8.267 8.267 8.433 -0.166 18221
9219 1 18 . 1 1 50 50 ILE N N 41 122.466 122.466 123.336 -0.870 18221
9220 1 18 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.621 0.250 18221
9221 1 18 . 1 1 50 50 ILE C C 41 178.363 178.363 178.060 0.303 18221
9222 1 18 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.073 -0.558 18221
9223 1 18 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.636 -0.398 18221
9224 1 18 . 1 1 50 50 ILE H H 41 7.865 7.865 7.981 -0.116 18221
9225 1 18 . 1 1 51 51 ALA N N 42 125.064 125.064 121.431 3.633 18221
9226 1 18 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.887 0.212 18221
9227 1 18 . 1 1 51 51 ALA C C 42 179.385 179.385 179.485 -0.100 18221
9228 1 18 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.307 -0.827 18221
9229 1 18 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.806 -0.319 18221
9230 1 18 . 1 1 51 51 ALA H H 42 7.930 7.930 8.453 -0.523 18221
9231 1 18 . 1 1 52 52 ALA N N 43 120.594 120.594 120.023 0.571 18221
9232 1 18 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.013 -0.076 18221
9233 1 18 . 1 1 52 52 ALA C C 43 179.088 179.088 179.994 -0.906 18221
9234 1 18 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.844 0.256 18221
9235 1 18 . 1 1 52 52 ALA CB C 43 17.635 17.635 17.984 -0.349 18221
9236 1 18 . 1 1 52 52 ALA H H 43 8.639 8.639 8.059 0.580 18221
9237 1 18 . 1 1 53 53 SER N N 44 113.012 113.012 115.429 -2.417 18221
9238 1 18 . 1 1 53 53 SER HA H 44 3.966 3.966 4.263 -0.297 18221
9239 1 18 . 1 1 53 53 SER C C 44 176.898 176.898 176.837 0.061 18221
9240 1 18 . 1 1 53 53 SER CA C 44 61.139 61.139 61.580 -0.441 18221
9241 1 18 . 1 1 53 53 SER CB C 44 62.347 62.347 62.955 -0.608 18221
9242 1 18 . 1 1 53 53 SER H H 44 8.193 8.193 8.148 0.045 18221
9243 1 18 . 1 1 54 54 SER N N 45 118.714 118.714 118.423 0.291 18221
9244 1 18 . 1 1 54 54 SER HA H 45 3.975 3.975 4.074 -0.099 18221
9245 1 18 . 1 1 54 54 SER C C 45 177.131 177.131 176.900 0.231 18221
9246 1 18 . 1 1 54 54 SER CA C 45 61.210 61.210 62.330 -1.120 18221
9247 1 18 . 1 1 54 54 SER CB C 45 62.255 62.255 62.857 -0.602 18221
9248 1 18 . 1 1 54 54 SER H H 45 7.944 7.944 8.571 -0.627 18221
9249 1 18 . 1 1 55 55 ILE N N 46 122.912 122.912 121.134 1.778 18221
9250 1 18 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.639 0.118 18221
9251 1 18 . 1 1 55 55 ILE C C 46 177.813 177.813 177.102 0.711 18221
9252 1 18 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.780 -0.589 18221
9253 1 18 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.947 -1.021 18221
9254 1 18 . 1 1 55 55 ILE H H 46 8.028 8.028 8.033 -0.005 18221
9255 1 18 . 1 1 56 56 ALA N N 47 122.990 122.990 120.955 2.035 18221
9256 1 18 . 1 1 56 56 ALA HA H 47 3.956 3.956 3.972 -0.016 18221
9257 1 18 . 1 1 56 56 ALA C C 47 180.294 180.294 179.408 0.886 18221
9258 1 18 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.624 -0.286 18221
9259 1 18 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.566 -0.864 18221
9260 1 18 . 1 1 56 56 ALA H H 47 8.333 8.333 7.569 0.764 18221
9261 1 18 . 1 1 57 57 ALA N N 48 121.988 121.988 121.510 0.478 18221
9262 1 18 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.053 0.015 18221
9263 1 18 . 1 1 57 57 ALA CA C 48 54.421 54.421 53.186 1.235 18221
9264 1 18 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.075 -1.373 18221
9265 1 18 . 1 1 57 57 ALA H H 48 7.879 7.879 7.986 -0.107 18221
9266 1 18 . 1 1 58 58 LYS N N 49 119.094 119.094 116.044 3.050 18221
9267 1 18 . 1 1 58 58 LYS HA H 49 4.146 4.146 4.007 0.139 18221
9268 1 18 . 1 1 58 58 LYS C C 49 179.649 179.649 176.741 2.908 18221
9269 1 18 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.798 0.359 18221
9270 1 18 . 1 1 58 58 LYS CB C 49 31.330 31.330 30.175 1.155 18221
9271 1 18 . 1 1 58 58 LYS H H 49 7.727 7.727 7.835 -0.108 18221
9272 1 18 . 1 1 59 59 MET N N 50 120.498 120.498 119.851 0.647 18221
9273 1 18 . 1 1 59 59 MET HA H 50 4.156 4.156 4.115 0.041 18221
9274 1 18 . 1 1 59 59 MET C C 50 177.949 177.949 177.225 0.724 18221
9275 1 18 . 1 1 59 59 MET CA C 50 57.136 57.136 58.059 -0.922 18221
9276 1 18 . 1 1 59 59 MET CB C 50 31.922 31.922 33.493 -1.571 18221
9277 1 18 . 1 1 59 59 MET H H 50 8.395 8.395 8.524 -0.129 18221
9278 1 18 . 1 1 60 60 MET N N 51 117.689 117.689 118.272 -0.583 18221
9279 1 18 . 1 1 60 60 MET HA H 51 4.222 4.222 4.222 0.000 18221
9280 1 18 . 1 1 60 60 MET C C 51 177.674 177.674 175.994 1.680 18221
9281 1 18 . 1 1 60 60 MET CA C 51 57.638 57.638 55.259 2.379 18221
9282 1 18 . 1 1 60 60 MET CB C 51 31.785 31.785 32.193 -0.408 18221
9283 1 18 . 1 1 60 60 MET H H 51 8.234 8.234 8.148 0.086 18221
9284 1 18 . 1 1 61 61 SER N N 52 114.385 114.385 115.854 -1.469 18221
9285 1 18 . 1 1 61 61 SER HA H 52 4.001 4.001 4.139 -0.138 18221
9286 1 18 . 1 1 61 61 SER C C 52 176.079 176.079 173.871 2.208 18221
9287 1 18 . 1 1 61 61 SER CA C 52 59.911 59.911 60.735 -0.824 18221
9288 1 18 . 1 1 61 61 SER CB C 52 62.624 62.624 62.792 -0.168 18221
9289 1 18 . 1 1 61 61 SER H H 52 7.893 7.893 8.866 -0.973 18221
9290 1 18 . 1 1 62 62 THR N N 53 117.304 117.304 110.971 6.333 18221
9291 1 18 . 1 1 62 62 THR HA H 53 4.104 4.104 4.551 -0.447 18221
9292 1 18 . 1 1 62 62 THR C C 53 175.436 175.436 172.588 2.848 18221
9293 1 18 . 1 1 62 62 THR CA C 53 64.220 64.220 61.606 2.614 18221
9294 1 18 . 1 1 62 62 THR CB C 53 68.514 68.514 72.059 -3.545 18221
9295 1 18 . 1 1 62 62 THR H H 53 7.794 7.794 7.707 0.087 18221
9296 1 18 . 1 1 63 63 ALA N N 54 125.382 125.382 124.224 1.158 18221
9297 1 18 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.293 -0.199 18221
9298 1 18 . 1 1 63 63 ALA C C 54 178.328 178.328 175.344 2.984 18221
9299 1 18 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.318 1.778 18221
9300 1 18 . 1 1 63 63 ALA CB C 54 17.708 17.708 19.379 -1.671 18221
9301 1 18 . 1 1 63 63 ALA H H 54 8.204 8.204 8.565 -0.361 18221
9302 1 18 . 1 1 64 64 ALA N N 55 119.929 119.929 123.150 -3.221 18221
9303 1 18 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.666 -0.541 18221
9304 1 18 . 1 1 64 64 ALA C C 55 179.183 179.183 176.541 2.642 18221
9305 1 18 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.316 1.721 18221
9306 1 18 . 1 1 64 64 ALA CB C 55 17.708 17.708 20.616 -2.908 18221
9307 1 18 . 1 1 64 64 ALA H H 55 7.951 7.951 7.714 0.237 18221
9308 1 18 . 1 1 65 65 ILE N N 56 117.016 117.016 122.097 -5.081 18221
9309 1 18 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.238 -0.288 18221
9310 1 18 . 1 1 65 65 ILE C C 56 177.222 177.222 175.420 1.802 18221
9311 1 18 . 1 1 65 65 ILE CA C 56 62.184 62.184 61.747 0.437 18221
9312 1 18 . 1 1 65 65 ILE CB C 56 37.073 37.073 37.079 -0.006 18221
9313 1 18 . 1 1 65 65 ILE H H 56 7.561 7.561 8.542 -0.981 18221
9314 1 18 . 1 1 66 66 ALA N N 57 124.191 124.191 126.554 -2.363 18221
9315 1 18 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.388 -0.211 18221
9316 1 18 . 1 1 66 66 ALA C C 57 178.190 178.190 176.202 1.988 18221
9317 1 18 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.811 0.725 18221
9318 1 18 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.138 -1.209 18221
9319 1 18 . 1 1 66 66 ALA H H 57 7.982 7.982 8.055 -0.073 18221
9320 1 18 . 1 1 67 67 ASN N N 58 116.132 116.132 117.120 -0.988 18221
9321 1 18 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.755 -0.082 18221
9322 1 18 . 1 1 67 67 ASN C C 58 176.344 176.344 173.927 2.417 18221
9323 1 18 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.647 -0.170 18221
9324 1 18 . 1 1 67 67 ASN CB C 58 38.472 38.472 40.113 -1.641 18221
9325 1 18 . 1 1 67 67 ASN H H 58 8.113 8.113 8.090 0.023 18221
9326 1 18 . 1 1 68 68 GLY N N 59 108.808 108.808 108.419 0.389 18221
9327 1 18 . 1 1 68 68 GLY C C 59 174.958 174.958 174.317 0.641 18221
9328 1 18 . 1 1 68 68 GLY CA C 59 45.655 45.655 45.682 -0.027 18221
9329 1 18 . 1 1 68 68 GLY H H 59 8.152 8.152 8.617 -0.465 18221
9330 1 18 . 1 1 69 69 GLY N N 60 108.832 108.832 108.991 -0.159 18221
9331 1 18 . 1 1 69 69 GLY C C 60 174.631 174.631 174.593 0.038 18221
9332 1 18 . 1 1 69 69 GLY CA C 60 45.419 45.419 45.579 -0.160 18221
9333 1 18 . 1 1 69 69 GLY H H 60 8.218 8.218 8.040 0.178 18221
9334 1 18 . 1 1 70 70 GLY N N 61 108.966 108.966 109.836 -0.870 18221
9335 1 18 . 1 1 70 70 GLY C C 61 174.594 174.594 173.393 1.201 18221
9336 1 18 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.649 0.711 18221
9337 1 18 . 1 1 70 70 GLY H H 61 8.175 8.175 7.856 0.319 18221
9338 1 18 . 1 1 71 71 VAL N N 62 120.209 120.209 123.153 -2.944 18221
9339 1 18 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.712 0.294 18221
9340 1 18 . 1 1 71 71 VAL C C 62 176.077 176.077 177.130 -1.053 18221
9341 1 18 . 1 1 71 71 VAL CA C 62 62.390 62.390 63.676 -1.286 18221
9342 1 18 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.462 -0.764 18221
9343 1 18 . 1 1 71 71 VAL H H 62 7.882 7.882 8.212 -0.330 18221
9344 1 18 . 1 1 72 72 ALA N N 63 126.966 126.966 128.136 -1.170 18221
9345 1 18 . 1 1 72 72 ALA HA H 63 4.026 4.026 3.926 0.100 18221
9346 1 18 . 1 1 72 72 ALA C C 63 178.064 178.064 177.478 0.586 18221
9347 1 18 . 1 1 72 72 ALA CA C 63 52.503 52.503 54.207 -1.704 18221
9348 1 18 . 1 1 72 72 ALA CB C 63 18.225 18.225 17.507 0.718 18221
9349 1 18 . 1 1 72 72 ALA H H 63 8.237 8.237 8.736 -0.499 18221
9350 1 18 . 1 1 73 73 ALA N N 64 123.432 123.432 120.822 2.610 18221
9351 1 18 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.136 -0.121 18221
9352 1 18 . 1 1 73 73 ALA C C 64 178.995 178.995 177.339 1.656 18221
9353 1 18 . 1 1 73 73 ALA CA C 64 54.421 54.421 53.603 0.818 18221
9354 1 18 . 1 1 73 73 ALA CB C 64 18.003 18.003 18.175 -0.172 18221
9355 1 18 . 1 1 73 73 ALA H H 64 8.421 8.421 8.496 -0.075 18221
9356 1 18 . 1 1 74 74 GLY N N 65 105.577 105.577 105.076 0.501 18221
9357 1 18 . 1 1 74 74 GLY C C 65 176.367 176.367 174.357 2.010 18221
9358 1 18 . 1 1 74 74 GLY CA C 65 46.244 46.244 45.837 0.407 18221
9359 1 18 . 1 1 74 74 GLY H H 65 8.448 8.448 7.930 0.518 18221
9360 1 18 . 1 1 75 75 SER N N 66 117.656 117.656 119.183 -1.527 18221
9361 1 18 . 1 1 75 75 SER HA H 66 4.394 4.394 4.281 0.113 18221
9362 1 18 . 1 1 75 75 SER C C 66 176.329 176.329 176.656 -0.327 18221
9363 1 18 . 1 1 75 75 SER CA C 66 60.236 60.236 60.692 -0.456 18221
9364 1 18 . 1 1 75 75 SER CB C 66 62.476 62.476 62.813 -0.337 18221
9365 1 18 . 1 1 75 75 SER H H 66 7.899 7.899 8.353 -0.454 18221
9366 1 18 . 1 1 76 76 LEU N N 67 122.743 122.743 121.221 1.522 18221
9367 1 18 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.981 0.069 18221
9368 1 18 . 1 1 76 76 LEU C C 67 178.442 178.442 178.372 0.070 18221
9369 1 18 . 1 1 76 76 LEU CA C 67 57.520 57.520 58.191 -0.671 18221
9370 1 18 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.874 -1.193 18221
9371 1 18 . 1 1 76 76 LEU H H 67 7.955 7.955 8.451 -0.496 18221
9372 1 18 . 1 1 77 77 VAL N N 68 118.400 118.400 118.364 0.036 18221
9373 1 18 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.541 -0.070 18221
9374 1 18 . 1 1 77 77 VAL C C 68 177.297 177.297 177.991 -0.694 18221
9375 1 18 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.326 0.344 18221
9376 1 18 . 1 1 77 77 VAL CB C 68 30.520 30.520 30.614 -0.094 18221
9377 1 18 . 1 1 77 77 VAL H H 68 8.039 8.039 7.937 0.102 18221
9378 1 18 . 1 1 78 78 ALA N N 69 121.927 121.927 122.120 -0.193 18221
9379 1 18 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.086 0.119 18221
9380 1 18 . 1 1 78 78 ALA C C 69 181.258 181.258 179.585 1.673 18221
9381 1 18 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.189 -0.207 18221
9382 1 18 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.196 -0.782 18221
9383 1 18 . 1 1 78 78 ALA H H 69 7.631 7.631 7.887 -0.256 18221
9384 1 18 . 1 1 79 79 ILE N N 70 119.782 119.782 119.745 0.037 18221
9385 1 18 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.791 0.005 18221
9386 1 18 . 1 1 79 79 ILE C C 70 178.253 178.253 178.134 0.119 18221
9387 1 18 . 1 1 79 79 ILE CA C 70 64.352 64.352 62.821 1.531 18221
9388 1 18 . 1 1 79 79 ILE CB C 70 37.073 37.073 36.759 0.314 18221
9389 1 18 . 1 1 79 79 ILE H H 70 7.841 7.841 7.128 0.713 18221
9390 1 18 . 1 1 80 80 LEU N N 71 120.841 120.841 120.273 0.568 18221
9391 1 18 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.745 0.192 18221
9392 1 18 . 1 1 80 80 LEU C C 71 179.234 179.234 178.622 0.612 18221
9393 1 18 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.101 -0.256 18221
9394 1 18 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.782 -1.763 18221
9395 1 18 . 1 1 80 80 LEU H H 71 8.190 8.190 8.479 -0.289 18221
9396 1 18 . 1 1 81 81 GLN N N 72 117.558 117.558 117.946 -0.388 18221
9397 1 18 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.884 0.085 18221
9398 1 18 . 1 1 81 81 GLN C C 72 178.530 178.530 178.579 -0.049 18221
9399 1 18 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.300 -0.481 18221
9400 1 18 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.607 -1.327 18221
9401 1 18 . 1 1 81 81 GLN H H 72 8.489 8.489 8.103 0.386 18221
9402 1 18 . 1 1 82 82 SER N N 73 116.103 116.103 114.988 1.115 18221
9403 1 18 . 1 1 82 82 SER HA H 73 4.233 4.233 4.211 0.022 18221
9404 1 18 . 1 1 82 82 SER C C 73 177.243 177.243 176.962 0.281 18221
9405 1 18 . 1 1 82 82 SER CA C 73 61.044 61.044 61.429 -0.385 18221
9406 1 18 . 1 1 82 82 SER CB C 73 62.257 62.257 62.774 -0.517 18221
9407 1 18 . 1 1 82 82 SER H H 73 7.855 7.855 7.972 -0.117 18221
9408 1 18 . 1 1 83 83 VAL N N 74 120.362 120.362 120.947 -0.585 18221
9409 1 18 . 1 1 83 83 VAL C C 74 177.979 177.979 178.253 -0.274 18221
9410 1 18 . 1 1 83 83 VAL CA C 74 65.106 65.106 66.664 -1.558 18221
9411 1 18 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.514 -0.773 18221
9412 1 18 . 1 1 83 83 VAL H H 74 8.030 8.030 8.183 -0.153 18221
9413 1 18 . 1 1 84 84 GLY N N 75 108.223 108.223 106.992 1.231 18221
9414 1 18 . 1 1 84 84 GLY C C 75 174.913 174.913 175.254 -0.341 18221
9415 1 18 . 1 1 84 84 GLY CA C 75 46.777 46.777 46.910 -0.133 18221
9416 1 18 . 1 1 84 84 GLY H H 75 8.369 8.369 7.797 0.572 18221
9417 1 18 . 1 1 85 85 ALA N N 76 123.550 123.550 124.548 -0.998 18221
9418 1 18 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.019 0.075 18221
9419 1 18 . 1 1 85 85 ALA CA C 76 54.598 54.598 55.016 -0.418 18221
9420 1 18 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.246 -0.623 18221
9421 1 18 . 1 1 85 85 ALA H H 76 8.115 8.115 8.049 0.066 18221
9422 1 18 . 1 1 86 86 ALA N N 77 120.410 120.410 121.086 -0.676 18221
9423 1 18 . 1 1 86 86 ALA C C 77 178.988 178.988 179.709 -0.721 18221
9424 1 18 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.212 -0.376 18221
9425 1 18 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.925 -0.415 18221
9426 1 18 . 1 1 86 86 ALA H H 77 8.632 8.632 8.244 0.388 18221
9427 1 18 . 1 1 87 87 GLY N N 78 105.706 105.706 107.471 -1.765 18221
9428 1 18 . 1 1 87 87 GLY C C 78 175.939 175.939 176.162 -0.223 18221
9429 1 18 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.985 -0.867 18221
9430 1 18 . 1 1 87 87 GLY H H 78 8.196 8.196 7.883 0.313 18221
9431 1 18 . 1 1 88 88 LEU N N 79 124.128 124.128 121.434 2.694 18221
9432 1 18 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.476 -0.074 18221
9433 1 18 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.939 -1.552 18221
9434 1 18 . 1 1 88 88 LEU H H 79 8.449 8.449 8.228 0.221 18221
9435 1 18 . 1 1 89 89 SER N N 80 116.251 116.251 114.826 1.425 18221
9436 1 18 . 1 1 89 89 SER C C 80 179.153 179.153 176.388 2.765 18221
9437 1 18 . 1 1 89 89 SER CA C 80 61.023 61.023 62.503 -1.480 18221
9438 1 18 . 1 1 89 89 SER CB C 80 62.255 62.255 63.096 -0.841 18221
9439 1 18 . 1 1 89 89 SER H H 80 8.120 8.120 8.190 -0.070 18221
9440 1 18 . 1 1 90 90 VAL N N 81 119.310 119.310 121.444 -2.134 18221
9441 1 18 . 1 1 90 90 VAL C C 81 177.652 177.652 178.423 -0.771 18221
9442 1 18 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.993 -0.917 18221
9443 1 18 . 1 1 90 90 VAL CB C 81 31.330 31.330 30.742 0.588 18221
9444 1 18 . 1 1 90 90 VAL H H 81 7.955 7.955 8.292 -0.337 18221
9445 1 18 . 1 1 91 91 THR N N 82 115.535 115.535 116.729 -1.194 18221
9446 1 18 . 1 1 91 91 THR C C 82 176.571 176.571 176.614 -0.043 18221
9447 1 18 . 1 1 91 91 THR CA C 82 66.434 66.434 66.170 0.264 18221
9448 1 18 . 1 1 91 91 THR CB C 82 67.742 67.742 68.169 -0.427 18221
9449 1 18 . 1 1 91 91 THR H H 82 7.888 7.888 8.469 -0.581 18221
9450 1 18 . 1 1 92 92 SER N N 83 116.537 116.537 117.778 -1.241 18221
9451 1 18 . 1 1 92 92 SER HA H 83 4.040 4.040 4.031 0.009 18221
9452 1 18 . 1 1 92 92 SER C C 83 176.761 176.761 176.499 0.262 18221
9453 1 18 . 1 1 92 92 SER CA C 83 61.564 61.564 61.651 -0.087 18221
9454 1 18 . 1 1 92 92 SER CB C 83 62.009 62.009 63.129 -1.120 18221
9455 1 18 . 1 1 92 92 SER H H 83 8.212 8.212 8.050 0.162 18221
9456 1 18 . 1 1 93 93 LYS N N 84 122.353 122.353 121.130 1.223 18221
9457 1 18 . 1 1 93 93 LYS HA H 84 4.119 4.119 4.013 0.106 18221
9458 1 18 . 1 1 93 93 LYS C C 84 172.812 172.812 178.930 -6.118 18221
9459 1 18 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.397 -0.962 18221
9460 1 18 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.504 -1.027 18221
9461 1 18 . 1 1 93 93 LYS H H 84 7.642 7.642 8.076 -0.434 18221
9462 1 18 . 1 1 94 94 VAL N N 85 119.348 119.348 118.439 0.909 18221
9463 1 18 . 1 1 94 94 VAL C C 85 177.948 177.948 177.265 0.683 18221
9464 1 18 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.470 -0.081 18221
9465 1 18 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.892 -0.046 18221
9466 1 18 . 1 1 94 94 VAL H H 85 8.414 8.414 7.845 0.569 18221
9467 1 18 . 1 1 95 95 ILE N N 86 118.769 118.769 116.132 2.637 18221
9468 1 18 . 1 1 95 95 ILE C C 86 177.972 177.972 176.703 1.269 18221
9469 1 18 . 1 1 95 95 ILE CA C 86 63.837 63.837 61.824 2.013 18221
9470 1 18 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.664 -2.032 18221
9471 1 18 . 1 1 95 95 ILE H H 86 8.169 8.169 7.730 0.439 18221
9472 1 18 . 1 1 96 96 GLY N N 87 107.955 107.955 105.875 2.080 18221
9473 1 18 . 1 1 96 96 GLY C C 87 176.571 176.571 174.300 2.271 18221
9474 1 18 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.682 1.829 18221
9475 1 18 . 1 1 96 96 GLY H H 87 8.182 8.182 8.424 -0.242 18221
9476 1 18 . 1 1 97 97 GLY N N 88 109.117 109.117 108.808 0.309 18221
9477 1 18 . 1 1 97 97 GLY C C 88 175.524 175.524 174.810 0.714 18221
9478 1 18 . 1 1 97 97 GLY CA C 88 45.832 45.832 44.956 0.876 18221
9479 1 18 . 1 1 97 97 GLY H H 88 7.953 7.953 7.936 0.017 18221
9480 1 18 . 1 1 98 98 PHE N N 89 121.100 121.100 124.615 -3.515 18221
9481 1 18 . 1 1 98 98 PHE C C 89 176.367 176.367 174.902 1.465 18221
9482 1 18 . 1 1 98 98 PHE CA C 89 56.900 56.900 58.802 -1.902 18221
9483 1 18 . 1 1 98 98 PHE CB C 89 38.832 38.832 38.821 0.011 18221
9484 1 18 . 1 1 98 98 PHE H H 89 8.000 8.000 8.809 -0.809 18221
9485 1 18 . 1 1 99 99 ALA N N 90 122.834 122.834 128.687 -5.853 18221
9486 1 18 . 1 1 99 99 ALA C C 90 178.348 178.348 176.015 2.333 18221
9487 1 18 . 1 1 99 99 ALA CA C 90 55.277 55.277 51.791 3.486 18221
9488 1 18 . 1 1 99 99 ALA CB C 90 17.414 17.414 20.566 -3.152 18221
9489 1 18 . 1 1 99 99 ALA H H 90 8.322 8.322 7.895 0.427 18221
9490 1 18 . 1 1 100 100 GLY N N 91 106.688 106.688 109.372 -2.684 18221
9491 1 18 . 1 1 100 100 GLY C C 91 175.878 175.878 174.839 1.039 18221
9492 1 18 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.849 -0.223 18221
9493 1 18 . 1 1 100 100 GLY H H 91 8.000 8.000 8.561 -0.561 18221
9494 1 18 . 1 1 101 101 THR N N 92 115.689 115.689 118.579 -2.890 18221
9495 1 18 . 1 1 101 101 THR C C 92 178.476 178.476 174.308 4.168 18221
9496 1 18 . 1 1 101 101 THR CA C 92 63.364 63.364 61.901 1.463 18221
9497 1 18 . 1 1 101 101 THR CB C 92 69.619 69.619 69.647 -0.027 18221
9498 1 18 . 1 1 101 101 THR H H 92 7.754 7.754 8.060 -0.306 18221
9499 1 18 . 1 1 102 102 ALA N N 93 124.835 124.835 128.154 -3.319 18221
9500 1 18 . 1 1 102 102 ALA CA C 93 54.311 54.311 51.205 3.107 18221
9501 1 18 . 1 1 102 102 ALA CB C 93 17.679 17.679 19.478 -1.799 18221
9502 1 18 . 1 1 102 102 ALA H H 93 7.919 7.919 8.085 -0.166 18221
9503 1 18 . 1 1 103 103 LEU N N 94 117.445 117.445 119.523 -2.078 18221
9504 1 18 . 1 1 103 103 LEU CA C 94 56.782 56.782 55.637 1.145 18221
9505 1 18 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.459 -0.557 18221
9506 1 18 . 1 1 103 103 LEU H H 94 8.037 8.037 7.951 0.086 18221
9507 1 18 . 1 1 104 104 GLY N N 95 106.296 106.296 107.602 -1.306 18221
9508 1 18 . 1 1 104 104 GLY C C 95 175.851 175.851 173.373 2.478 18221
9509 1 18 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.377 2.192 18221
9510 1 18 . 1 1 104 104 GLY H H 95 7.900 7.900 8.588 -0.688 18221
9511 1 18 . 1 1 105 105 ALA N N 96 123.872 123.872 122.261 1.611 18221
9512 1 18 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.106 2.020 18221
9513 1 18 . 1 1 105 105 ALA CB C 96 17.587 17.587 18.312 -0.725 18221
9514 1 18 . 1 1 105 105 ALA H H 96 7.804 7.804 8.194 -0.390 18221
9515 1 18 . 1 1 106 106 TRP N N 97 120.348 120.348 117.713 2.635 18221
9516 1 18 . 1 1 106 106 TRP C C 97 176.857 176.857 176.787 0.070 18221
9517 1 18 . 1 1 106 106 TRP CA C 97 56.900 56.900 58.182 -1.282 18221
9518 1 18 . 1 1 106 106 TRP H H 97 8.385 8.385 8.378 0.007 18221
9519 1 18 . 1 1 107 107 LEU N N 98 117.756 117.756 117.635 0.121 18221
9520 1 18 . 1 1 107 107 LEU C C 98 177.659 177.659 176.148 1.511 18221
9521 1 18 . 1 1 107 107 LEU CA C 98 55.103 55.103 57.589 -2.486 18221
9522 1 18 . 1 1 107 107 LEU CB C 98 41.418 41.418 41.130 0.288 18221
9523 1 18 . 1 1 107 107 LEU H H 98 7.880 7.880 8.229 -0.349 18221
9524 1 18 . 1 1 108 108 GLY N N 99 107.285 107.285 107.744 -0.459 18221
9525 1 18 . 1 1 108 108 GLY C C 99 173.815 173.815 173.639 0.176 18221
9526 1 18 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.558 0.389 18221
9527 1 18 . 1 1 108 108 GLY H H 99 7.694 7.694 8.366 -0.672 18221
9528 1 18 . 1 1 109 109 SER N N 100 117.139 117.139 116.217 0.922 18221
9529 1 18 . 1 1 109 109 SER C C 100 172.179 172.179 172.349 -0.170 18221
9530 1 18 . 1 1 109 109 SER CA C 100 56.015 56.015 57.853 -1.838 18221
9531 1 18 . 1 1 109 109 SER CB C 100 62.771 62.771 63.389 -0.618 18221
9532 1 18 . 1 1 109 109 SER H H 100 8.030 8.030 8.160 -0.130 18221
9533 1 18 . 1 1 111 111 PRO C C 102 177.073 177.073 176.451 0.622 18221
9534 1 18 . 1 1 111 111 PRO CA C 102 62.199 62.199 62.836 -0.637 18221
9535 1 18 . 1 1 111 111 PRO CB C 102 31.211 31.211 32.068 -0.857 18221
9536 1 18 . 1 1 112 112 SER N N 103 117.115 117.115 119.009 -1.894 18221
9537 1 18 . 1 1 112 112 SER C C 103 173.898 173.898 173.940 -0.042 18221
9538 1 18 . 1 1 112 112 SER CA C 103 57.904 57.904 57.624 0.280 18221
9539 1 18 . 1 1 112 112 SER CB C 103 63.360 63.360 64.945 -1.585 18221
9540 1 18 . 1 1 112 112 SER H H 103 8.345 8.345 8.363 -0.018 18221
9541 1 19 . 1 1 11 11 GLY N N 2 109.366 109.366 110.462 -1.096 18221
9542 1 19 . 1 1 11 11 GLY C C 2 174.543 174.543 173.372 1.171 18221
9543 1 19 . 1 1 11 11 GLY CA C 2 45.695 45.695 44.824 0.871 18221
9544 1 19 . 1 1 11 11 GLY H H 2 8.271 8.271 8.735 -0.464 18221
9545 1 19 . 1 1 12 12 LYS N N 3 121.129 121.129 119.453 1.676 18221
9546 1 19 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.595 -0.463 18221
9547 1 19 . 1 1 12 12 LYS C C 3 177.234 177.234 176.433 0.801 18221
9548 1 19 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.944 -0.133 18221
9549 1 19 . 1 1 12 12 LYS CB C 3 31.846 31.846 33.483 -1.637 18221
9550 1 19 . 1 1 12 12 LYS H H 3 8.057 8.057 8.608 -0.551 18221
9551 1 19 . 1 1 13 13 GLU N N 4 120.318 120.318 118.929 1.389 18221
9552 1 19 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.444 -0.289 18221
9553 1 19 . 1 1 13 13 GLU C C 4 176.857 176.857 174.878 1.979 18221
9554 1 19 . 1 1 13 13 GLU CA C 4 56.871 56.871 56.559 0.312 18221
9555 1 19 . 1 1 13 13 GLU CB C 4 28.388 28.388 31.189 -2.801 18221
9556 1 19 . 1 1 13 13 GLU H H 4 8.398 8.398 8.369 0.029 18221
9557 1 19 . 1 1 14 14 SER N N 5 115.504 115.504 119.050 -3.546 18221
9558 1 19 . 1 1 14 14 SER HA H 5 3.843 3.843 4.546 -0.703 18221
9559 1 19 . 1 1 14 14 SER C C 5 175.337 175.337 172.960 2.377 18221
9560 1 19 . 1 1 14 14 SER CA C 5 58.524 58.524 58.929 -0.406 18221
9561 1 19 . 1 1 14 14 SER CB C 5 63.360 63.360 64.125 -0.765 18221
9562 1 19 . 1 1 14 14 SER H H 5 8.089 8.089 8.765 -0.676 18221
9563 1 19 . 1 1 15 15 GLY N N 6 110.761 110.761 108.607 2.154 18221
9564 1 19 . 1 1 15 15 GLY C C 6 174.581 174.581 173.457 1.124 18221
9565 1 19 . 1 1 15 15 GLY CA C 6 45.566 45.566 44.745 0.821 18221
9566 1 19 . 1 1 15 15 GLY H H 6 8.197 8.197 8.149 0.048 18221
9567 1 19 . 1 1 16 16 TRP N N 7 121.800 121.800 122.938 -1.138 18221
9568 1 19 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.744 -0.184 18221
9569 1 19 . 1 1 16 16 TRP C C 7 176.920 176.920 175.144 1.776 18221
9570 1 19 . 1 1 16 16 TRP CA C 7 58.081 58.081 58.157 -0.076 18221
9571 1 19 . 1 1 16 16 TRP CB C 7 28.679 28.679 29.972 -1.293 18221
9572 1 19 . 1 1 16 16 TRP H H 7 8.184 8.184 8.157 0.027 18221
9573 1 19 . 1 1 17 17 ASP N N 8 121.132 121.132 121.035 0.097 18221
9574 1 19 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.659 -0.264 18221
9575 1 19 . 1 1 17 17 ASP C C 8 176.941 176.941 174.946 1.995 18221
9576 1 19 . 1 1 17 17 ASP CA C 8 56.244 56.244 53.533 2.711 18221
9577 1 19 . 1 1 17 17 ASP CB C 8 39.945 39.945 40.692 -0.747 18221
9578 1 19 . 1 1 17 17 ASP H H 8 8.332 8.332 8.099 0.233 18221
9579 1 19 . 1 1 18 18 SER N N 9 116.148 116.148 117.161 -1.013 18221
9580 1 19 . 1 1 18 18 SER HA H 9 3.861 3.861 4.729 -0.868 18221
9581 1 19 . 1 1 18 18 SER CA C 9 60.081 60.081 57.490 2.591 18221
9582 1 19 . 1 1 18 18 SER CB C 9 62.255 62.255 65.089 -2.834 18221
9583 1 19 . 1 1 18 18 SER H H 9 8.129 8.129 8.211 -0.082 18221
9584 1 19 . 1 1 19 19 GLY N N 10 110.747 110.747 111.484 -0.737 18221
9585 1 19 . 1 1 19 19 GLY C C 10 174.682 174.682 175.642 -0.960 18221
9586 1 19 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.216 1.384 18221
9587 1 19 . 1 1 19 19 GLY H H 10 8.216 8.216 8.497 -0.281 18221
9588 1 19 . 1 1 20 20 ARG N N 11 121.405 121.405 120.699 0.706 18221
9589 1 19 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.192 -0.335 18221
9590 1 19 . 1 1 20 20 ARG C C 11 178.328 178.328 178.929 -0.601 18221
9591 1 19 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.215 0.870 18221
9592 1 19 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.342 -1.295 18221
9593 1 19 . 1 1 20 20 ARG H H 11 8.158 8.158 8.442 -0.284 18221
9594 1 19 . 1 1 21 21 ALA N N 12 122.167 122.167 122.309 -0.142 18221
9595 1 19 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.076 0.024 18221
9596 1 19 . 1 1 21 21 ALA C C 12 180.129 180.129 179.425 0.704 18221
9597 1 19 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.678 -0.286 18221
9598 1 19 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.999 -0.585 18221
9599 1 19 . 1 1 21 21 ALA H H 12 7.963 7.963 8.379 -0.416 18221
9600 1 19 . 1 1 22 22 ALA N N 13 122.150 122.150 121.676 0.474 18221
9601 1 19 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.972 0.065 18221
9602 1 19 . 1 1 22 22 ALA C C 13 179.095 179.095 179.877 -0.782 18221
9603 1 19 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.952 -0.236 18221
9604 1 19 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.127 -0.566 18221
9605 1 19 . 1 1 22 22 ALA H H 13 7.881 7.881 8.311 -0.430 18221
9606 1 19 . 1 1 23 23 VAL N N 14 117.107 117.107 118.820 -1.713 18221
9607 1 19 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.601 -0.121 18221
9608 1 19 . 1 1 23 23 VAL C C 14 177.586 177.586 178.297 -0.711 18221
9609 1 19 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.208 0.990 18221
9610 1 19 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.545 -0.025 18221
9611 1 19 . 1 1 23 23 VAL H H 14 7.888 7.888 8.159 -0.271 18221
9612 1 19 . 1 1 24 24 ALA N N 15 121.333 121.333 121.839 -0.506 18221
9613 1 19 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.975 0.006 18221
9614 1 19 . 1 1 24 24 ALA C C 15 180.373 180.373 179.434 0.939 18221
9615 1 19 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.229 -0.218 18221
9616 1 19 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.813 -0.561 18221
9617 1 19 . 1 1 24 24 ALA H H 15 8.037 8.037 7.650 0.387 18221
9618 1 19 . 1 1 25 25 ALA N N 16 121.158 121.158 119.532 1.626 18221
9619 1 19 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.173 -0.027 18221
9620 1 19 . 1 1 25 25 ALA C C 16 179.828 179.828 178.830 0.998 18221
9621 1 19 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.751 -0.300 18221
9622 1 19 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.563 -1.076 18221
9623 1 19 . 1 1 25 25 ALA H H 16 7.819 7.819 7.929 -0.110 18221
9624 1 19 . 1 1 26 26 VAL N N 17 118.417 118.417 116.904 1.513 18221
9625 1 19 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.887 -0.109 18221
9626 1 19 . 1 1 26 26 VAL C C 17 178.020 178.020 177.109 0.911 18221
9627 1 19 . 1 1 26 26 VAL CA C 17 65.578 65.578 64.261 1.317 18221
9628 1 19 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.992 -0.907 18221
9629 1 19 . 1 1 26 26 VAL H H 17 7.848 7.848 7.288 0.560 18221
9630 1 19 . 1 1 27 27 VAL N N 18 119.240 119.240 119.429 -0.189 18221
9631 1 19 . 1 1 27 27 VAL C C 18 177.719 177.719 176.790 0.929 18221
9632 1 19 . 1 1 27 27 VAL CA C 18 65.991 65.991 65.186 0.805 18221
9633 1 19 . 1 1 27 27 VAL CB C 18 30.187 30.187 31.881 -1.694 18221
9634 1 19 . 1 1 27 27 VAL H H 18 8.377 8.377 7.523 0.854 18221
9635 1 19 . 1 1 28 28 GLY N N 19 106.009 106.009 108.219 -2.210 18221
9636 1 19 . 1 1 28 28 GLY C C 19 176.212 176.212 174.503 1.709 18221
9637 1 19 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.347 -0.103 18221
9638 1 19 . 1 1 28 28 GLY H H 19 8.122 8.122 7.781 0.341 18221
9639 1 19 . 1 1 29 29 GLY N N 20 110.216 110.216 112.506 -2.290 18221
9640 1 19 . 1 1 29 29 GLY C C 20 174.097 174.097 175.151 -1.054 18221
9641 1 19 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.563 1.771 18221
9642 1 19 . 1 1 29 29 GLY H H 20 8.039 8.039 7.741 0.298 18221
9643 1 19 . 1 1 30 30 VAL N N 21 121.188 121.188 120.558 0.630 18221
9644 1 19 . 1 1 30 30 VAL C C 21 177.073 177.073 177.593 -0.520 18221
9645 1 19 . 1 1 30 30 VAL CA C 21 62.574 62.574 66.240 -3.666 18221
9646 1 19 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.761 -0.971 18221
9647 1 19 . 1 1 30 30 VAL H H 21 7.983 7.983 7.905 0.078 18221
9648 1 19 . 1 1 32 32 ALA N N 23 125.091 125.091 122.016 3.075 18221
9649 1 19 . 1 1 32 32 ALA HA H 23 4.260 4.260 3.980 0.280 18221
9650 1 19 . 1 1 32 32 ALA C C 23 179.523 179.523 179.859 -0.336 18221
9651 1 19 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.199 -1.516 18221
9652 1 19 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.029 -1.646 18221
9653 1 19 . 1 1 32 32 ALA H H 23 8.036 8.036 7.885 0.151 18221
9654 1 19 . 1 1 33 33 VAL N N 24 118.793 118.793 117.621 1.172 18221
9655 1 19 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.726 -0.018 18221
9656 1 19 . 1 1 33 33 VAL C C 24 177.901 177.901 177.876 0.025 18221
9657 1 19 . 1 1 33 33 VAL CA C 24 65.430 65.430 65.254 0.176 18221
9658 1 19 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.581 -0.263 18221
9659 1 19 . 1 1 33 33 VAL H H 24 8.195 8.195 8.271 -0.076 18221
9660 1 19 . 1 1 34 34 GLY N N 25 108.367 108.367 108.336 0.031 18221
9661 1 19 . 1 1 34 34 GLY C C 25 175.424 175.424 175.524 -0.100 18221
9662 1 19 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.627 -0.293 18221
9663 1 19 . 1 1 34 34 GLY H H 25 8.651 8.651 8.264 0.387 18221
9664 1 19 . 1 1 35 35 THR N N 26 116.448 116.448 119.905 -3.457 18221
9665 1 19 . 1 1 35 35 THR C C 26 176.843 176.843 176.942 -0.099 18221
9666 1 19 . 1 1 35 35 THR CA C 26 65.962 65.962 67.423 -1.461 18221
9667 1 19 . 1 1 35 35 THR CB C 26 68.414 68.414 68.851 -0.437 18221
9668 1 19 . 1 1 35 35 THR H H 26 7.975 7.975 8.404 -0.429 18221
9669 1 19 . 1 1 36 36 VAL N N 27 122.810 122.810 121.313 1.497 18221
9670 1 19 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.597 0.122 18221
9671 1 19 . 1 1 36 36 VAL C C 27 177.618 177.618 177.592 0.026 18221
9672 1 19 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.861 -1.135 18221
9673 1 19 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.475 -0.808 18221
9674 1 19 . 1 1 36 36 VAL H H 27 7.559 7.559 8.076 -0.517 18221
9675 1 19 . 1 1 37 37 LEU N N 28 119.566 119.566 121.009 -1.443 18221
9676 1 19 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.984 -0.031 18221
9677 1 19 . 1 1 37 37 LEU C C 28 179.666 179.666 178.639 1.027 18221
9678 1 19 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.318 -0.473 18221
9679 1 19 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.867 -1.701 18221
9680 1 19 . 1 1 37 37 LEU H H 28 8.086 8.086 7.880 0.206 18221
9681 1 19 . 1 1 38 38 VAL N N 29 119.468 119.468 118.442 1.026 18221
9682 1 19 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.426 0.227 18221
9683 1 19 . 1 1 38 38 VAL C C 29 178.639 178.639 177.969 0.670 18221
9684 1 19 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.581 -1.108 18221
9685 1 19 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.340 -0.731 18221
9686 1 19 . 1 1 38 38 VAL H H 29 8.066 8.066 8.432 -0.366 18221
9687 1 19 . 1 1 39 39 ALA N N 30 124.255 124.255 122.083 2.172 18221
9688 1 19 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.284 -0.119 18221
9689 1 19 . 1 1 39 39 ALA C C 30 180.303 180.303 179.956 0.347 18221
9690 1 19 . 1 1 39 39 ALA CA C 30 54.834 54.834 54.633 0.201 18221
9691 1 19 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.769 -1.061 18221
9692 1 19 . 1 1 39 39 ALA H H 30 7.688 7.688 7.785 -0.097 18221
9693 1 19 . 1 1 40 40 LEU N N 31 118.268 118.268 119.135 -0.867 18221
9694 1 19 . 1 1 40 40 LEU HA H 31 4.141 4.141 3.924 0.217 18221
9695 1 19 . 1 1 40 40 LEU C C 31 179.271 179.271 178.978 0.293 18221
9696 1 19 . 1 1 40 40 LEU CA C 31 57.078 57.078 58.180 -1.102 18221
9697 1 19 . 1 1 40 40 LEU CB C 31 40.902 40.902 42.067 -1.165 18221
9698 1 19 . 1 1 40 40 LEU H H 31 8.326 8.326 8.144 0.182 18221
9699 1 19 . 1 1 41 41 SER N N 32 114.984 114.984 113.211 1.773 18221
9700 1 19 . 1 1 41 41 SER HA H 32 3.952 3.952 4.276 -0.324 18221
9701 1 19 . 1 1 41 41 SER C C 32 176.284 176.284 175.099 1.185 18221
9702 1 19 . 1 1 41 41 SER CA C 32 60.885 60.885 60.544 0.341 18221
9703 1 19 . 1 1 41 41 SER CB C 32 62.410 62.410 63.793 -1.383 18221
9704 1 19 . 1 1 41 41 SER H H 32 8.062 8.062 8.215 -0.153 18221
9705 1 19 . 1 1 42 42 ALA N N 33 124.588 124.588 123.752 0.836 18221
9706 1 19 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.526 -0.301 18221
9707 1 19 . 1 1 42 42 ALA C C 33 179.033 179.033 176.875 2.158 18221
9708 1 19 . 1 1 42 42 ALA CA C 33 53.713 53.713 51.193 2.520 18221
9709 1 19 . 1 1 42 42 ALA CB C 33 17.929 17.929 18.571 -0.642 18221
9710 1 19 . 1 1 42 42 ALA H H 33 7.813 7.813 7.984 -0.171 18221
9711 1 19 . 1 1 43 43 MET N N 34 116.808 116.808 126.220 -9.412 18221
9712 1 19 . 1 1 43 43 MET HA H 34 4.285 4.285 4.433 -0.148 18221
9713 1 19 . 1 1 43 43 MET C C 34 176.807 176.807 176.525 0.282 18221
9714 1 19 . 1 1 43 43 MET CA C 34 56.576 56.576 55.120 1.456 18221
9715 1 19 . 1 1 43 43 MET CB C 34 32.435 32.435 31.416 1.019 18221
9716 1 19 . 1 1 43 43 MET H H 34 7.691 7.691 8.572 -0.881 18221
9717 1 19 . 1 1 44 44 GLY N N 35 107.020 107.020 108.453 -1.433 18221
9718 1 19 . 1 1 44 44 GLY C C 35 174.493 174.493 173.571 0.922 18221
9719 1 19 . 1 1 44 44 GLY CA C 35 45.065 45.065 44.932 0.133 18221
9720 1 19 . 1 1 44 44 GLY H H 35 7.793 7.793 8.084 -0.291 18221
9721 1 19 . 1 1 45 45 PHE N N 36 120.285 120.285 117.885 2.400 18221
9722 1 19 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.800 -0.293 18221
9723 1 19 . 1 1 45 45 PHE C C 36 176.876 176.876 175.304 1.572 18221
9724 1 19 . 1 1 45 45 PHE CA C 36 58.937 58.937 57.051 1.886 18221
9725 1 19 . 1 1 45 45 PHE CB C 36 38.178 38.178 39.872 -1.694 18221
9726 1 19 . 1 1 45 45 PHE H H 36 8.215 8.215 7.890 0.325 18221
9727 1 19 . 1 1 46 46 THR N N 37 114.008 114.008 116.131 -2.123 18221
9728 1 19 . 1 1 46 46 THR HA H 37 4.080 4.080 4.431 -0.351 18221
9729 1 19 . 1 1 46 46 THR C C 37 175.751 175.751 174.490 1.261 18221
9730 1 19 . 1 1 46 46 THR CA C 37 64.220 64.220 62.905 1.315 18221
9731 1 19 . 1 1 46 46 THR CB C 37 68.514 68.514 69.623 -1.109 18221
9732 1 19 . 1 1 46 46 THR H H 37 8.111 8.111 8.541 -0.430 18221
9733 1 19 . 1 1 47 47 SER N N 38 116.646 116.646 112.708 3.938 18221
9734 1 19 . 1 1 47 47 SER HA H 38 3.918 3.918 4.405 -0.487 18221
9735 1 19 . 1 1 47 47 SER C C 38 176.744 176.744 176.112 0.632 18221
9736 1 19 . 1 1 47 47 SER CA C 38 59.911 59.911 59.655 0.256 18221
9737 1 19 . 1 1 47 47 SER CB C 38 62.624 62.624 62.899 -0.275 18221
9738 1 19 . 1 1 47 47 SER H H 38 8.079 8.079 8.263 -0.184 18221
9739 1 19 . 1 1 48 48 VAL N N 39 121.929 121.929 123.682 -1.753 18221
9740 1 19 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.617 0.292 18221
9741 1 19 . 1 1 48 48 VAL C C 39 177.033 177.033 177.141 -0.108 18221
9742 1 19 . 1 1 48 48 VAL CA C 39 64.988 64.988 66.954 -1.966 18221
9743 1 19 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.728 -1.061 18221
9744 1 19 . 1 1 48 48 VAL H H 39 7.985 7.985 7.645 0.340 18221
9745 1 19 . 1 1 49 49 GLY N N 40 108.633 108.633 107.645 0.988 18221
9746 1 19 . 1 1 49 49 GLY C C 40 176.038 176.038 175.932 0.106 18221
9747 1 19 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.901 -1.036 18221
9748 1 19 . 1 1 49 49 GLY H H 40 8.267 8.267 8.475 -0.208 18221
9749 1 19 . 1 1 50 50 ILE N N 41 122.466 122.466 119.918 2.548 18221
9750 1 19 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.678 0.193 18221
9751 1 19 . 1 1 50 50 ILE C C 41 178.363 178.363 177.676 0.687 18221
9752 1 19 . 1 1 50 50 ILE CA C 41 63.515 63.515 63.869 -0.354 18221
9753 1 19 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.272 -0.034 18221
9754 1 19 . 1 1 50 50 ILE H H 41 7.865 7.865 7.930 -0.065 18221
9755 1 19 . 1 1 51 51 ALA N N 42 125.064 125.064 122.309 2.755 18221
9756 1 19 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.846 0.253 18221
9757 1 19 . 1 1 51 51 ALA C C 42 179.385 179.385 179.312 0.073 18221
9758 1 19 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.215 -0.735 18221
9759 1 19 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.835 -0.348 18221
9760 1 19 . 1 1 51 51 ALA H H 42 7.930 7.930 8.259 -0.329 18221
9761 1 19 . 1 1 52 52 ALA N N 43 120.594 120.594 120.055 0.539 18221
9762 1 19 . 1 1 52 52 ALA HA H 43 3.937 3.937 3.996 -0.059 18221
9763 1 19 . 1 1 52 52 ALA C C 43 179.088 179.088 180.245 -1.157 18221
9764 1 19 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.940 0.160 18221
9765 1 19 . 1 1 52 52 ALA CB C 43 17.635 17.635 17.931 -0.296 18221
9766 1 19 . 1 1 52 52 ALA H H 43 8.639 8.639 8.155 0.484 18221
9767 1 19 . 1 1 53 53 SER N N 44 113.012 113.012 114.586 -1.574 18221
9768 1 19 . 1 1 53 53 SER HA H 44 3.966 3.966 4.214 -0.248 18221
9769 1 19 . 1 1 53 53 SER C C 44 176.898 176.898 176.982 -0.084 18221
9770 1 19 . 1 1 53 53 SER CA C 44 61.139 61.139 62.038 -0.899 18221
9771 1 19 . 1 1 53 53 SER CB C 44 62.347 62.347 62.845 -0.498 18221
9772 1 19 . 1 1 53 53 SER H H 44 8.193 8.193 8.147 0.046 18221
9773 1 19 . 1 1 54 54 SER N N 45 118.714 118.714 119.267 -0.553 18221
9774 1 19 . 1 1 54 54 SER HA H 45 3.975 3.975 4.212 -0.237 18221
9775 1 19 . 1 1 54 54 SER C C 45 177.131 177.131 176.415 0.716 18221
9776 1 19 . 1 1 54 54 SER CA C 45 61.210 61.210 62.056 -0.846 18221
9777 1 19 . 1 1 54 54 SER CB C 45 62.255 62.255 63.171 -0.916 18221
9778 1 19 . 1 1 54 54 SER H H 45 7.944 7.944 8.202 -0.258 18221
9779 1 19 . 1 1 55 55 ILE N N 46 122.912 122.912 121.987 0.925 18221
9780 1 19 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.717 0.040 18221
9781 1 19 . 1 1 55 55 ILE C C 46 177.813 177.813 177.113 0.700 18221
9782 1 19 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.255 -0.064 18221
9783 1 19 . 1 1 55 55 ILE CB C 46 36.926 36.926 38.163 -1.237 18221
9784 1 19 . 1 1 55 55 ILE H H 46 8.028 8.028 8.446 -0.418 18221
9785 1 19 . 1 1 56 56 ALA N N 47 122.990 122.990 121.945 1.045 18221
9786 1 19 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.035 -0.079 18221
9787 1 19 . 1 1 56 56 ALA C C 47 180.294 180.294 178.750 1.544 18221
9788 1 19 . 1 1 56 56 ALA CA C 47 54.338 54.338 53.927 0.411 18221
9789 1 19 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.624 -0.922 18221
9790 1 19 . 1 1 56 56 ALA H H 47 8.333 8.333 7.838 0.495 18221
9791 1 19 . 1 1 57 57 ALA N N 48 121.988 121.988 121.876 0.112 18221
9792 1 19 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.084 -0.016 18221
9793 1 19 . 1 1 57 57 ALA CA C 48 54.421 54.421 52.946 1.475 18221
9794 1 19 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.246 -1.544 18221
9795 1 19 . 1 1 57 57 ALA H H 48 7.879 7.879 7.840 0.039 18221
9796 1 19 . 1 1 58 58 LYS N N 49 119.094 119.094 115.247 3.847 18221
9797 1 19 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.985 0.161 18221
9798 1 19 . 1 1 58 58 LYS C C 49 179.649 179.649 174.964 4.685 18221
9799 1 19 . 1 1 58 58 LYS CA C 49 57.157 57.157 57.178 -0.021 18221
9800 1 19 . 1 1 58 58 LYS CB C 49 31.330 31.330 32.816 -1.486 18221
9801 1 19 . 1 1 58 58 LYS H H 49 7.727 7.727 8.368 -0.641 18221
9802 1 19 . 1 1 59 59 MET N N 50 120.498 120.498 123.750 -3.252 18221
9803 1 19 . 1 1 59 59 MET HA H 50 4.156 4.156 4.522 -0.366 18221
9804 1 19 . 1 1 59 59 MET C C 50 177.949 177.949 174.204 3.745 18221
9805 1 19 . 1 1 59 59 MET CA C 50 57.136 57.136 55.300 1.836 18221
9806 1 19 . 1 1 59 59 MET CB C 50 31.922 31.922 33.364 -1.442 18221
9807 1 19 . 1 1 59 59 MET H H 50 8.395 8.395 8.501 -0.106 18221
9808 1 19 . 1 1 60 60 MET N N 51 117.689 117.689 123.627 -5.938 18221
9809 1 19 . 1 1 60 60 MET HA H 51 4.222 4.222 4.796 -0.574 18221
9810 1 19 . 1 1 60 60 MET C C 51 177.674 177.674 175.253 2.421 18221
9811 1 19 . 1 1 60 60 MET CA C 51 57.638 57.638 55.536 2.102 18221
9812 1 19 . 1 1 60 60 MET CB C 51 31.785 31.785 33.106 -1.321 18221
9813 1 19 . 1 1 60 60 MET H H 51 8.234 8.234 8.264 -0.030 18221
9814 1 19 . 1 1 61 61 SER N N 52 114.385 114.385 120.017 -5.632 18221
9815 1 19 . 1 1 61 61 SER HA H 52 4.001 4.001 4.512 -0.511 18221
9816 1 19 . 1 1 61 61 SER C C 52 176.079 176.079 173.859 2.220 18221
9817 1 19 . 1 1 61 61 SER CA C 52 59.911 59.911 59.383 0.528 18221
9818 1 19 . 1 1 61 61 SER CB C 52 62.624 62.624 64.094 -1.470 18221
9819 1 19 . 1 1 61 61 SER H H 52 7.893 7.893 8.992 -1.099 18221
9820 1 19 . 1 1 62 62 THR N N 53 117.304 117.304 119.150 -1.846 18221
9821 1 19 . 1 1 62 62 THR HA H 53 4.104 4.104 4.437 -0.333 18221
9822 1 19 . 1 1 62 62 THR C C 53 175.436 175.436 172.935 2.501 18221
9823 1 19 . 1 1 62 62 THR CA C 53 64.220 64.220 62.900 1.320 18221
9824 1 19 . 1 1 62 62 THR CB C 53 68.514 68.514 68.356 0.159 18221
9825 1 19 . 1 1 62 62 THR H H 53 7.794 7.794 8.104 -0.310 18221
9826 1 19 . 1 1 63 63 ALA N N 54 125.382 125.382 124.685 0.697 18221
9827 1 19 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.053 0.041 18221
9828 1 19 . 1 1 63 63 ALA C C 54 178.328 178.328 176.484 1.844 18221
9829 1 19 . 1 1 63 63 ALA CA C 54 54.096 54.096 53.013 1.083 18221
9830 1 19 . 1 1 63 63 ALA CB C 54 17.708 17.708 18.706 -0.998 18221
9831 1 19 . 1 1 63 63 ALA H H 54 8.204 8.204 8.165 0.039 18221
9832 1 19 . 1 1 64 64 ALA N N 55 119.929 119.929 123.386 -3.457 18221
9833 1 19 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.568 -0.443 18221
9834 1 19 . 1 1 64 64 ALA C C 55 179.183 179.183 176.073 3.110 18221
9835 1 19 . 1 1 64 64 ALA CA C 55 54.037 54.037 51.689 2.348 18221
9836 1 19 . 1 1 64 64 ALA CB C 55 17.708 17.708 18.374 -0.666 18221
9837 1 19 . 1 1 64 64 ALA H H 55 7.951 7.951 8.422 -0.471 18221
9838 1 19 . 1 1 65 65 ILE N N 56 117.016 117.016 120.786 -3.770 18221
9839 1 19 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.368 -0.418 18221
9840 1 19 . 1 1 65 65 ILE C C 56 177.222 177.222 175.196 2.026 18221
9841 1 19 . 1 1 65 65 ILE CA C 56 62.184 62.184 59.997 2.187 18221
9842 1 19 . 1 1 65 65 ILE CB C 56 37.073 37.073 40.010 -2.937 18221
9843 1 19 . 1 1 65 65 ILE H H 56 7.561 7.561 7.650 -0.089 18221
9844 1 19 . 1 1 66 66 ALA N N 57 124.191 124.191 126.328 -2.137 18221
9845 1 19 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.641 -0.464 18221
9846 1 19 . 1 1 66 66 ALA C C 57 178.190 178.190 177.103 1.087 18221
9847 1 19 . 1 1 66 66 ALA CA C 57 53.536 53.536 51.364 2.172 18221
9848 1 19 . 1 1 66 66 ALA CB C 57 17.929 17.929 20.756 -2.827 18221
9849 1 19 . 1 1 66 66 ALA H H 57 7.982 7.982 8.295 -0.313 18221
9850 1 19 . 1 1 67 67 ASN N N 58 116.132 116.132 118.121 -1.989 18221
9851 1 19 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.275 0.398 18221
9852 1 19 . 1 1 67 67 ASN C C 58 176.344 176.344 176.993 -0.649 18221
9853 1 19 . 1 1 67 67 ASN CA C 58 53.477 53.477 55.401 -1.924 18221
9854 1 19 . 1 1 67 67 ASN CB C 58 38.472 38.472 37.741 0.731 18221
9855 1 19 . 1 1 67 67 ASN H H 58 8.113 8.113 8.738 -0.625 18221
9856 1 19 . 1 1 68 68 GLY N N 59 108.808 108.808 110.066 -1.258 18221
9857 1 19 . 1 1 68 68 GLY C C 59 174.958 174.958 175.070 -0.112 18221
9858 1 19 . 1 1 68 68 GLY CA C 59 45.655 45.655 46.034 -0.379 18221
9859 1 19 . 1 1 68 68 GLY H H 59 8.152 8.152 8.341 -0.189 18221
9860 1 19 . 1 1 69 69 GLY N N 60 108.832 108.832 110.214 -1.382 18221
9861 1 19 . 1 1 69 69 GLY C C 60 174.631 174.631 175.126 -0.495 18221
9862 1 19 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.581 0.838 18221
9863 1 19 . 1 1 69 69 GLY H H 60 8.218 8.218 8.510 -0.292 18221
9864 1 19 . 1 1 70 70 GLY N N 61 108.966 108.966 108.657 0.309 18221
9865 1 19 . 1 1 70 70 GLY C C 61 174.594 174.594 173.338 1.256 18221
9866 1 19 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.877 0.484 18221
9867 1 19 . 1 1 70 70 GLY H H 61 8.175 8.175 7.878 0.297 18221
9868 1 19 . 1 1 71 71 VAL N N 62 120.209 120.209 117.120 3.089 18221
9869 1 19 . 1 1 71 71 VAL HA H 62 4.006 4.006 4.174 -0.168 18221
9870 1 19 . 1 1 71 71 VAL C C 62 176.077 176.077 176.067 0.010 18221
9871 1 19 . 1 1 71 71 VAL CA C 62 62.390 62.390 62.815 -0.425 18221
9872 1 19 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.535 -0.837 18221
9873 1 19 . 1 1 71 71 VAL H H 62 7.882 7.882 8.399 -0.517 18221
9874 1 19 . 1 1 72 72 ALA N N 63 126.966 126.966 122.349 4.617 18221
9875 1 19 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.514 -0.488 18221
9876 1 19 . 1 1 72 72 ALA C C 63 178.064 178.064 177.112 0.952 18221
9877 1 19 . 1 1 72 72 ALA CA C 63 52.503 52.503 53.307 -0.804 18221
9878 1 19 . 1 1 72 72 ALA CB C 63 18.225 18.225 19.073 -0.848 18221
9879 1 19 . 1 1 72 72 ALA H H 63 8.237 8.237 8.058 0.179 18221
9880 1 19 . 1 1 73 73 ALA N N 64 123.432 123.432 119.279 4.153 18221
9881 1 19 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.684 -0.669 18221
9882 1 19 . 1 1 73 73 ALA C C 64 178.995 178.995 176.528 2.467 18221
9883 1 19 . 1 1 73 73 ALA CA C 64 54.421 54.421 51.429 2.991 18221
9884 1 19 . 1 1 73 73 ALA CB C 64 18.003 18.003 20.445 -2.442 18221
9885 1 19 . 1 1 73 73 ALA H H 64 8.421 8.421 7.489 0.932 18221
9886 1 19 . 1 1 74 74 GLY N N 65 105.577 105.577 107.076 -1.499 18221
9887 1 19 . 1 1 74 74 GLY C C 65 176.367 176.367 176.338 0.029 18221
9888 1 19 . 1 1 74 74 GLY CA C 65 46.244 46.244 45.712 0.532 18221
9889 1 19 . 1 1 74 74 GLY H H 65 8.448 8.448 8.382 0.066 18221
9890 1 19 . 1 1 75 75 SER N N 66 117.656 117.656 117.815 -0.159 18221
9891 1 19 . 1 1 75 75 SER HA H 66 4.394 4.394 4.265 0.129 18221
9892 1 19 . 1 1 75 75 SER C C 66 176.329 176.329 176.848 -0.519 18221
9893 1 19 . 1 1 75 75 SER CA C 66 60.236 60.236 61.218 -0.982 18221
9894 1 19 . 1 1 75 75 SER CB C 66 62.476 62.476 62.907 -0.431 18221
9895 1 19 . 1 1 75 75 SER H H 66 7.899 7.899 8.248 -0.349 18221
9896 1 19 . 1 1 76 76 LEU N N 67 122.743 122.743 120.533 2.210 18221
9897 1 19 . 1 1 76 76 LEU HA H 67 4.050 4.050 4.033 0.017 18221
9898 1 19 . 1 1 76 76 LEU C C 67 178.442 178.442 179.026 -0.584 18221
9899 1 19 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.810 -0.290 18221
9900 1 19 . 1 1 76 76 LEU CB C 67 40.681 40.681 40.793 -0.112 18221
9901 1 19 . 1 1 76 76 LEU H H 67 7.955 7.955 8.307 -0.352 18221
9902 1 19 . 1 1 77 77 VAL N N 68 118.400 118.400 118.904 -0.504 18221
9903 1 19 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.524 -0.053 18221
9904 1 19 . 1 1 77 77 VAL C C 68 177.297 177.297 177.675 -0.378 18221
9905 1 19 . 1 1 77 77 VAL CA C 68 66.670 66.670 67.099 -0.429 18221
9906 1 19 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.056 -0.536 18221
9907 1 19 . 1 1 77 77 VAL H H 68 8.039 8.039 8.022 0.017 18221
9908 1 19 . 1 1 78 78 ALA N N 69 121.927 121.927 122.152 -0.225 18221
9909 1 19 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.018 0.187 18221
9910 1 19 . 1 1 78 78 ALA C C 69 181.258 181.258 179.500 1.758 18221
9911 1 19 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.403 -0.421 18221
9912 1 19 . 1 1 78 78 ALA CB C 69 17.414 17.414 17.837 -0.423 18221
9913 1 19 . 1 1 78 78 ALA H H 69 7.631 7.631 7.791 -0.160 18221
9914 1 19 . 1 1 79 79 ILE N N 70 119.782 119.782 119.244 0.538 18221
9915 1 19 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.670 0.126 18221
9916 1 19 . 1 1 79 79 ILE C C 70 178.253 178.253 178.000 0.253 18221
9917 1 19 . 1 1 79 79 ILE CA C 70 64.352 64.352 64.719 -0.367 18221
9918 1 19 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.861 -0.788 18221
9919 1 19 . 1 1 79 79 ILE H H 70 7.841 7.841 7.196 0.645 18221
9920 1 19 . 1 1 80 80 LEU N N 71 120.841 120.841 120.311 0.530 18221
9921 1 19 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.800 0.137 18221
9922 1 19 . 1 1 80 80 LEU C C 71 179.234 179.234 178.629 0.605 18221
9923 1 19 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.253 -0.408 18221
9924 1 19 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.739 -1.720 18221
9925 1 19 . 1 1 80 80 LEU H H 71 8.190 8.190 8.324 -0.134 18221
9926 1 19 . 1 1 81 81 GLN N N 72 117.558 117.558 117.963 -0.405 18221
9927 1 19 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.910 0.059 18221
9928 1 19 . 1 1 81 81 GLN C C 72 178.530 178.530 178.821 -0.291 18221
9929 1 19 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.265 -0.446 18221
9930 1 19 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.492 -1.212 18221
9931 1 19 . 1 1 81 81 GLN H H 72 8.489 8.489 8.075 0.414 18221
9932 1 19 . 1 1 82 82 SER N N 73 116.103 116.103 115.870 0.233 18221
9933 1 19 . 1 1 82 82 SER HA H 73 4.233 4.233 4.123 0.110 18221
9934 1 19 . 1 1 82 82 SER C C 73 177.243 177.243 176.711 0.532 18221
9935 1 19 . 1 1 82 82 SER CA C 73 61.044 61.044 61.747 -0.703 18221
9936 1 19 . 1 1 82 82 SER CB C 73 62.257 62.257 63.090 -0.833 18221
9937 1 19 . 1 1 82 82 SER H H 73 7.855 7.855 8.028 -0.173 18221
9938 1 19 . 1 1 83 83 VAL N N 74 120.362 120.362 121.230 -0.868 18221
9939 1 19 . 1 1 83 83 VAL C C 74 177.979 177.979 177.940 0.039 18221
9940 1 19 . 1 1 83 83 VAL CA C 74 65.106 65.106 66.213 -1.107 18221
9941 1 19 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.474 -0.733 18221
9942 1 19 . 1 1 83 83 VAL H H 74 8.030 8.030 8.242 -0.212 18221
9943 1 19 . 1 1 84 84 GLY N N 75 108.223 108.223 106.789 1.434 18221
9944 1 19 . 1 1 84 84 GLY C C 75 174.913 174.913 175.773 -0.860 18221
9945 1 19 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.517 -0.740 18221
9946 1 19 . 1 1 84 84 GLY H H 75 8.369 8.369 7.983 0.386 18221
9947 1 19 . 1 1 85 85 ALA N N 76 123.550 123.550 124.542 -0.992 18221
9948 1 19 . 1 1 85 85 ALA HA H 76 4.094 4.094 3.971 0.123 18221
9949 1 19 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.905 -0.307 18221
9950 1 19 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.457 -0.834 18221
9951 1 19 . 1 1 85 85 ALA H H 76 8.115 8.115 7.869 0.246 18221
9952 1 19 . 1 1 86 86 ALA N N 77 120.410 120.410 121.312 -0.902 18221
9953 1 19 . 1 1 86 86 ALA C C 77 178.988 178.988 179.779 -0.791 18221
9954 1 19 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.179 -0.343 18221
9955 1 19 . 1 1 86 86 ALA CB C 77 17.510 17.510 18.113 -0.603 18221
9956 1 19 . 1 1 86 86 ALA H H 77 8.632 8.632 8.477 0.155 18221
9957 1 19 . 1 1 87 87 GLY N N 78 105.706 105.706 107.519 -1.813 18221
9958 1 19 . 1 1 87 87 GLY C C 78 175.939 175.939 176.765 -0.826 18221
9959 1 19 . 1 1 87 87 GLY CA C 78 46.118 46.118 47.019 -0.901 18221
9960 1 19 . 1 1 87 87 GLY H H 78 8.196 8.196 8.250 -0.054 18221
9961 1 19 . 1 1 88 88 LEU N N 79 124.128 124.128 122.057 2.071 18221
9962 1 19 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.786 -0.384 18221
9963 1 19 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.970 -1.583 18221
9964 1 19 . 1 1 88 88 LEU H H 79 8.449 8.449 7.901 0.548 18221
9965 1 19 . 1 1 89 89 SER N N 80 116.251 116.251 114.882 1.369 18221
9966 1 19 . 1 1 89 89 SER C C 80 179.153 179.153 176.691 2.462 18221
9967 1 19 . 1 1 89 89 SER CA C 80 61.023 61.023 62.083 -1.060 18221
9968 1 19 . 1 1 89 89 SER CB C 80 62.255 62.255 62.715 -0.460 18221
9969 1 19 . 1 1 89 89 SER H H 80 8.120 8.120 8.297 -0.177 18221
9970 1 19 . 1 1 90 90 VAL N N 81 119.310 119.310 119.268 0.042 18221
9971 1 19 . 1 1 90 90 VAL C C 81 177.652 177.652 178.036 -0.384 18221
9972 1 19 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.437 -0.361 18221
9973 1 19 . 1 1 90 90 VAL CB C 81 31.330 31.330 30.617 0.713 18221
9974 1 19 . 1 1 90 90 VAL H H 81 7.955 7.955 8.134 -0.179 18221
9975 1 19 . 1 1 91 91 THR N N 82 115.535 115.535 117.604 -2.069 18221
9976 1 19 . 1 1 91 91 THR C C 82 176.571 176.571 176.743 -0.172 18221
9977 1 19 . 1 1 91 91 THR CA C 82 66.434 66.434 67.357 -0.923 18221
9978 1 19 . 1 1 91 91 THR CB C 82 67.742 67.742 68.721 -0.979 18221
9979 1 19 . 1 1 91 91 THR H H 82 7.888 7.888 8.294 -0.406 18221
9980 1 19 . 1 1 92 92 SER N N 83 116.537 116.537 117.839 -1.302 18221
9981 1 19 . 1 1 92 92 SER HA H 83 4.040 4.040 3.997 0.043 18221
9982 1 19 . 1 1 92 92 SER C C 83 176.761 176.761 176.655 0.106 18221
9983 1 19 . 1 1 92 92 SER CA C 83 61.564 61.564 62.141 -0.577 18221
9984 1 19 . 1 1 92 92 SER CB C 83 62.009 62.009 63.069 -1.060 18221
9985 1 19 . 1 1 92 92 SER H H 83 8.212 8.212 7.996 0.216 18221
9986 1 19 . 1 1 93 93 LYS N N 84 122.353 122.353 121.423 0.930 18221
9987 1 19 . 1 1 93 93 LYS HA H 84 4.119 4.119 4.000 0.118 18221
9988 1 19 . 1 1 93 93 LYS C C 84 172.812 172.812 179.202 -6.390 18221
9989 1 19 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.336 -0.901 18221
9990 1 19 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.303 -0.826 18221
9991 1 19 . 1 1 93 93 LYS H H 84 7.642 7.642 8.310 -0.668 18221
9992 1 19 . 1 1 94 94 VAL N N 85 119.348 119.348 118.498 0.850 18221
9993 1 19 . 1 1 94 94 VAL C C 85 177.948 177.948 177.128 0.820 18221
9994 1 19 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.623 -0.234 18221
9995 1 19 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.556 0.290 18221
9996 1 19 . 1 1 94 94 VAL H H 85 8.414 8.414 7.808 0.606 18221
9997 1 19 . 1 1 95 95 ILE N N 86 118.769 118.769 116.791 1.978 18221
9998 1 19 . 1 1 95 95 ILE C C 86 177.972 177.972 177.126 0.846 18221
9999 1 19 . 1 1 95 95 ILE CA C 86 63.837 63.837 62.429 1.408 18221
10000 1 19 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.372 -1.740 18221
10001 1 19 . 1 1 95 95 ILE H H 86 8.169 8.169 7.775 0.394 18221
10002 1 19 . 1 1 96 96 GLY N N 87 107.955 107.955 105.387 2.568 18221
10003 1 19 . 1 1 96 96 GLY C C 87 176.571 176.571 174.754 1.817 18221
10004 1 19 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.894 1.617 18221
10005 1 19 . 1 1 96 96 GLY H H 87 8.182 8.182 8.364 -0.182 18221
10006 1 19 . 1 1 97 97 GLY N N 88 109.117 109.117 109.863 -0.746 18221
10007 1 19 . 1 1 97 97 GLY C C 88 175.524 175.524 174.914 0.610 18221
10008 1 19 . 1 1 97 97 GLY CA C 88 45.832 45.832 45.908 -0.076 18221
10009 1 19 . 1 1 97 97 GLY H H 88 7.953 7.953 7.760 0.193 18221
10010 1 19 . 1 1 98 98 PHE N N 89 121.100 121.100 116.379 4.721 18221
10011 1 19 . 1 1 98 98 PHE C C 89 176.367 176.367 174.676 1.691 18221
10012 1 19 . 1 1 98 98 PHE CA C 89 56.900 56.900 59.163 -2.263 18221
10013 1 19 . 1 1 98 98 PHE CB C 89 38.832 38.832 38.385 0.447 18221
10014 1 19 . 1 1 98 98 PHE H H 89 8.000 8.000 8.367 -0.367 18221
10015 1 19 . 1 1 99 99 ALA N N 90 122.834 122.834 127.926 -5.092 18221
10016 1 19 . 1 1 99 99 ALA C C 90 178.348 178.348 176.764 1.584 18221
10017 1 19 . 1 1 99 99 ALA CA C 90 55.277 55.277 51.776 3.501 18221
10018 1 19 . 1 1 99 99 ALA CB C 90 17.414 17.414 20.903 -3.489 18221
10019 1 19 . 1 1 99 99 ALA H H 90 8.322 8.322 7.860 0.462 18221
10020 1 19 . 1 1 100 100 GLY N N 91 106.688 106.688 107.926 -1.238 18221
10021 1 19 . 1 1 100 100 GLY C C 91 175.878 175.878 174.517 1.361 18221
10022 1 19 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.267 0.360 18221
10023 1 19 . 1 1 100 100 GLY H H 91 8.000 8.000 8.171 -0.171 18221
10024 1 19 . 1 1 101 101 THR N N 92 115.689 115.689 117.563 -1.874 18221
10025 1 19 . 1 1 101 101 THR C C 92 178.476 178.476 175.116 3.360 18221
10026 1 19 . 1 1 101 101 THR CA C 92 63.364 63.364 63.623 -0.259 18221
10027 1 19 . 1 1 101 101 THR CB C 92 69.619 69.619 68.975 0.644 18221
10028 1 19 . 1 1 101 101 THR H H 92 7.754 7.754 8.581 -0.827 18221
10029 1 19 . 1 1 102 102 ALA N N 93 124.835 124.835 121.003 3.832 18221
10030 1 19 . 1 1 102 102 ALA CA C 93 54.311 54.311 52.085 2.226 18221
10031 1 19 . 1 1 102 102 ALA CB C 93 17.679 17.679 18.762 -1.083 18221
10032 1 19 . 1 1 102 102 ALA H H 93 7.919 7.919 7.973 -0.054 18221
10033 1 19 . 1 1 103 103 LEU N N 94 117.445 117.445 118.766 -1.321 18221
10034 1 19 . 1 1 103 103 LEU CA C 94 56.782 56.782 55.228 1.554 18221
10035 1 19 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.448 -0.546 18221
10036 1 19 . 1 1 103 103 LEU H H 94 8.037 8.037 8.357 -0.320 18221
10037 1 19 . 1 1 104 104 GLY N N 95 106.296 106.296 109.456 -3.160 18221
10038 1 19 . 1 1 104 104 GLY C C 95 175.851 175.851 174.362 1.489 18221
10039 1 19 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.675 1.895 18221
10040 1 19 . 1 1 104 104 GLY H H 95 7.900 7.900 7.970 -0.070 18221
10041 1 19 . 1 1 105 105 ALA N N 96 123.872 123.872 121.517 2.355 18221
10042 1 19 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.825 1.301 18221
10043 1 19 . 1 1 105 105 ALA CB C 96 17.587 17.587 19.739 -2.152 18221
10044 1 19 . 1 1 105 105 ALA H H 96 7.804 7.804 8.281 -0.477 18221
10045 1 19 . 1 1 106 106 TRP N N 97 120.348 120.348 120.302 0.046 18221
10046 1 19 . 1 1 106 106 TRP C C 97 176.857 176.857 173.806 3.051 18221
10047 1 19 . 1 1 106 106 TRP CA C 97 56.900 56.900 57.579 -0.679 18221
10048 1 19 . 1 1 106 106 TRP H H 97 8.385 8.385 7.828 0.557 18221
10049 1 19 . 1 1 107 107 LEU N N 98 117.756 117.756 127.935 -10.179 18221
10050 1 19 . 1 1 107 107 LEU C C 98 177.659 177.659 175.292 2.367 18221
10051 1 19 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.112 -0.009 18221
10052 1 19 . 1 1 107 107 LEU CB C 98 41.418 41.418 43.680 -2.262 18221
10053 1 19 . 1 1 107 107 LEU H H 98 7.880 7.880 8.059 -0.179 18221
10054 1 19 . 1 1 108 108 GLY N N 99 107.285 107.285 109.124 -1.839 18221
10055 1 19 . 1 1 108 108 GLY C C 99 173.815 173.815 173.361 0.454 18221
10056 1 19 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.196 0.751 18221
10057 1 19 . 1 1 108 108 GLY H H 99 7.694 7.694 7.962 -0.268 18221
10058 1 19 . 1 1 109 109 SER N N 100 117.139 117.139 121.420 -4.281 18221
10059 1 19 . 1 1 109 109 SER C C 100 172.179 172.179 173.695 -1.516 18221
10060 1 19 . 1 1 109 109 SER CA C 100 56.015 56.015 57.204 -1.189 18221
10061 1 19 . 1 1 109 109 SER CB C 100 62.771 62.771 63.586 -0.815 18221
10062 1 19 . 1 1 109 109 SER H H 100 8.030 8.030 8.151 -0.121 18221
10063 1 19 . 1 1 111 111 PRO C C 102 177.073 177.073 176.725 0.348 18221
10064 1 19 . 1 1 111 111 PRO CA C 102 62.199 62.199 62.858 -0.659 18221
10065 1 19 . 1 1 111 111 PRO CB C 102 31.211 31.211 31.718 -0.507 18221
10066 1 19 . 1 1 112 112 SER N N 103 117.115 117.115 120.998 -3.883 18221
10067 1 19 . 1 1 112 112 SER C C 103 173.898 173.898 174.302 -0.404 18221
10068 1 19 . 1 1 112 112 SER CA C 103 57.904 57.904 58.034 -0.130 18221
10069 1 19 . 1 1 112 112 SER CB C 103 63.360 63.360 63.691 -0.331 18221
10070 1 19 . 1 1 112 112 SER H H 103 8.345 8.345 8.620 -0.275 18221
10071 1 20 . 1 1 11 11 GLY N N 2 109.366 109.366 108.365 1.001 18221
10072 1 20 . 1 1 11 11 GLY C C 2 174.543 174.543 173.209 1.334 18221
10073 1 20 . 1 1 11 11 GLY CA C 2 45.695 45.695 44.541 1.154 18221
10074 1 20 . 1 1 11 11 GLY H H 2 8.271 8.271 8.352 -0.081 18221
10075 1 20 . 1 1 12 12 LYS N N 3 121.129 121.129 119.781 1.348 18221
10076 1 20 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.188 -0.056 18221
10077 1 20 . 1 1 12 12 LYS C C 3 177.234 177.234 175.610 1.624 18221
10078 1 20 . 1 1 12 12 LYS CA C 3 56.812 56.812 57.803 -0.991 18221
10079 1 20 . 1 1 12 12 LYS CB C 3 31.846 31.846 31.925 -0.079 18221
10080 1 20 . 1 1 12 12 LYS H H 3 8.057 8.057 8.698 -0.641 18221
10081 1 20 . 1 1 13 13 GLU N N 4 120.318 120.318 120.092 0.226 18221
10082 1 20 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.338 -0.183 18221
10083 1 20 . 1 1 13 13 GLU C C 4 176.857 176.857 175.594 1.263 18221
10084 1 20 . 1 1 13 13 GLU CA C 4 56.871 56.871 56.348 0.523 18221
10085 1 20 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.450 -2.062 18221
10086 1 20 . 1 1 13 13 GLU H H 4 8.398 8.398 8.408 -0.010 18221
10087 1 20 . 1 1 14 14 SER N N 5 115.504 115.504 115.187 0.317 18221
10088 1 20 . 1 1 14 14 SER HA H 5 3.843 3.843 4.423 -0.580 18221
10089 1 20 . 1 1 14 14 SER C C 5 175.337 175.337 174.282 1.055 18221
10090 1 20 . 1 1 14 14 SER CA C 5 58.524 58.524 58.548 -0.024 18221
10091 1 20 . 1 1 14 14 SER CB C 5 63.360 63.360 63.346 0.014 18221
10092 1 20 . 1 1 14 14 SER H H 5 8.089 8.089 8.193 -0.104 18221
10093 1 20 . 1 1 15 15 GLY N N 6 110.761 110.761 111.592 -0.831 18221
10094 1 20 . 1 1 15 15 GLY C C 6 174.581 174.581 173.202 1.379 18221
10095 1 20 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.093 0.473 18221
10096 1 20 . 1 1 15 15 GLY H H 6 8.197 8.197 8.602 -0.405 18221
10097 1 20 . 1 1 16 16 TRP N N 7 121.800 121.800 122.927 -1.127 18221
10098 1 20 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.681 -0.121 18221
10099 1 20 . 1 1 16 16 TRP C C 7 176.920 176.920 174.336 2.584 18221
10100 1 20 . 1 1 16 16 TRP CA C 7 58.081 58.081 56.670 1.411 18221
10101 1 20 . 1 1 16 16 TRP CB C 7 28.679 28.679 30.296 -1.617 18221
10102 1 20 . 1 1 16 16 TRP H H 7 8.184 8.184 8.091 0.093 18221
10103 1 20 . 1 1 17 17 ASP N N 8 121.132 121.132 122.483 -1.351 18221
10104 1 20 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.770 -0.375 18221
10105 1 20 . 1 1 17 17 ASP C C 8 176.941 176.941 175.233 1.708 18221
10106 1 20 . 1 1 17 17 ASP CA C 8 56.244 56.244 53.212 3.032 18221
10107 1 20 . 1 1 17 17 ASP CB C 8 39.945 39.945 42.180 -2.235 18221
10108 1 20 . 1 1 17 17 ASP H H 8 8.332 8.332 7.979 0.353 18221
10109 1 20 . 1 1 18 18 SER N N 9 116.148 116.148 118.204 -2.056 18221
10110 1 20 . 1 1 18 18 SER HA H 9 3.861 3.861 4.428 -0.567 18221
10111 1 20 . 1 1 18 18 SER CA C 9 60.081 60.081 58.476 1.605 18221
10112 1 20 . 1 1 18 18 SER CB C 9 62.255 62.255 64.439 -2.184 18221
10113 1 20 . 1 1 18 18 SER H H 9 8.129 8.129 8.431 -0.302 18221
10114 1 20 . 1 1 19 19 GLY N N 10 110.747 110.747 110.672 0.075 18221
10115 1 20 . 1 1 19 19 GLY C C 10 174.682 174.682 175.872 -1.190 18221
10116 1 20 . 1 1 19 19 GLY CA C 10 46.600 46.600 46.085 0.515 18221
10117 1 20 . 1 1 19 19 GLY H H 10 8.216 8.216 8.079 0.137 18221
10118 1 20 . 1 1 20 20 ARG N N 11 121.405 121.405 124.652 -3.247 18221
10119 1 20 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.230 -0.373 18221
10120 1 20 . 1 1 20 20 ARG C C 11 178.328 178.328 178.556 -0.228 18221
10121 1 20 . 1 1 20 20 ARG CA C 11 59.085 59.085 57.592 1.493 18221
10122 1 20 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.471 -1.424 18221
10123 1 20 . 1 1 20 20 ARG H H 11 8.158 8.158 8.264 -0.106 18221
10124 1 20 . 1 1 21 21 ALA N N 12 122.167 122.167 122.840 -0.673 18221
10125 1 20 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.005 0.095 18221
10126 1 20 . 1 1 21 21 ALA C C 12 180.129 180.129 179.344 0.785 18221
10127 1 20 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.764 -0.372 18221
10128 1 20 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.951 -0.537 18221
10129 1 20 . 1 1 21 21 ALA H H 12 7.963 7.963 8.265 -0.302 18221
10130 1 20 . 1 1 22 22 ALA N N 13 122.150 122.150 121.311 0.839 18221
10131 1 20 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.903 0.134 18221
10132 1 20 . 1 1 22 22 ALA C C 13 179.095 179.095 179.897 -0.802 18221
10133 1 20 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.854 -0.138 18221
10134 1 20 . 1 1 22 22 ALA CB C 13 17.561 17.561 17.937 -0.376 18221
10135 1 20 . 1 1 22 22 ALA H H 13 7.881 7.881 8.224 -0.343 18221
10136 1 20 . 1 1 23 23 VAL N N 14 117.107 117.107 118.612 -1.505 18221
10137 1 20 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.607 -0.127 18221
10138 1 20 . 1 1 23 23 VAL C C 14 177.586 177.586 178.299 -0.713 18221
10139 1 20 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.457 0.741 18221
10140 1 20 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.557 -0.037 18221
10141 1 20 . 1 1 23 23 VAL H H 14 7.888 7.888 8.166 -0.278 18221
10142 1 20 . 1 1 24 24 ALA N N 15 121.333 121.333 121.973 -0.640 18221
10143 1 20 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.969 0.012 18221
10144 1 20 . 1 1 24 24 ALA C C 15 180.373 180.373 179.388 0.985 18221
10145 1 20 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.230 -0.219 18221
10146 1 20 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.828 -0.577 18221
10147 1 20 . 1 1 24 24 ALA H H 15 8.037 8.037 7.610 0.427 18221
10148 1 20 . 1 1 25 25 ALA N N 16 121.158 121.158 119.310 1.848 18221
10149 1 20 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.188 -0.042 18221
10150 1 20 . 1 1 25 25 ALA C C 16 179.828 179.828 178.783 1.045 18221
10151 1 20 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.604 -0.153 18221
10152 1 20 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.390 -0.903 18221
10153 1 20 . 1 1 25 25 ALA H H 16 7.819 7.819 7.836 -0.017 18221
10154 1 20 . 1 1 26 26 VAL N N 17 118.417 118.417 115.553 2.864 18221
10155 1 20 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.913 -0.135 18221
10156 1 20 . 1 1 26 26 VAL C C 17 178.020 178.020 176.813 1.207 18221
10157 1 20 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.586 1.992 18221
10158 1 20 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.934 -0.849 18221
10159 1 20 . 1 1 26 26 VAL H H 17 7.848 7.848 7.317 0.531 18221
10160 1 20 . 1 1 27 27 VAL N N 18 119.240 119.240 119.335 -0.095 18221
10161 1 20 . 1 1 27 27 VAL C C 18 177.719 177.719 177.092 0.627 18221
10162 1 20 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.721 1.270 18221
10163 1 20 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.249 -2.062 18221
10164 1 20 . 1 1 27 27 VAL H H 18 8.377 8.377 7.430 0.947 18221
10165 1 20 . 1 1 28 28 GLY N N 19 106.009 106.009 107.494 -1.485 18221
10166 1 20 . 1 1 28 28 GLY C C 19 176.212 176.212 174.514 1.698 18221
10167 1 20 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.753 -0.509 18221
10168 1 20 . 1 1 28 28 GLY H H 19 8.122 8.122 8.044 0.078 18221
10169 1 20 . 1 1 29 29 GLY N N 20 110.216 110.216 112.553 -2.337 18221
10170 1 20 . 1 1 29 29 GLY C C 20 174.097 174.097 174.903 -0.806 18221
10171 1 20 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.446 1.888 18221
10172 1 20 . 1 1 29 29 GLY H H 20 8.039 8.039 7.672 0.367 18221
10173 1 20 . 1 1 30 30 VAL N N 21 121.188 121.188 122.751 -1.563 18221
10174 1 20 . 1 1 30 30 VAL C C 21 177.073 177.073 177.907 -0.834 18221
10175 1 20 . 1 1 30 30 VAL CA C 21 62.574 62.574 65.730 -3.155 18221
10176 1 20 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.517 -0.727 18221
10177 1 20 . 1 1 30 30 VAL H H 21 7.983 7.983 8.132 -0.149 18221
10178 1 20 . 1 1 32 32 ALA N N 23 125.091 125.091 121.305 3.786 18221
10179 1 20 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.043 0.217 18221
10180 1 20 . 1 1 32 32 ALA C C 23 179.523 179.523 179.739 -0.216 18221
10181 1 20 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.083 -1.400 18221
10182 1 20 . 1 1 32 32 ALA CB C 23 16.383 16.383 17.892 -1.509 18221
10183 1 20 . 1 1 32 32 ALA H H 23 8.036 8.036 8.087 -0.051 18221
10184 1 20 . 1 1 33 33 VAL N N 24 118.793 118.793 118.061 0.732 18221
10185 1 20 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.599 0.109 18221
10186 1 20 . 1 1 33 33 VAL C C 24 177.901 177.901 178.347 -0.446 18221
10187 1 20 . 1 1 33 33 VAL CA C 24 65.430 65.430 67.143 -1.713 18221
10188 1 20 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.475 -0.157 18221
10189 1 20 . 1 1 33 33 VAL H H 24 8.195 8.195 8.080 0.115 18221
10190 1 20 . 1 1 34 34 GLY N N 25 108.367 108.367 107.476 0.891 18221
10191 1 20 . 1 1 34 34 GLY C C 25 175.424 175.424 175.800 -0.376 18221
10192 1 20 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.543 -0.209 18221
10193 1 20 . 1 1 34 34 GLY H H 25 8.651 8.651 8.312 0.339 18221
10194 1 20 . 1 1 35 35 THR N N 26 116.448 116.448 119.357 -2.909 18221
10195 1 20 . 1 1 35 35 THR C C 26 176.843 176.843 176.723 0.120 18221
10196 1 20 . 1 1 35 35 THR CA C 26 65.962 65.962 66.585 -0.623 18221
10197 1 20 . 1 1 35 35 THR CB C 26 68.414 68.414 68.538 -0.124 18221
10198 1 20 . 1 1 35 35 THR H H 26 7.975 7.975 8.212 -0.237 18221
10199 1 20 . 1 1 36 36 VAL N N 27 122.810 122.810 121.829 0.981 18221
10200 1 20 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.707 0.012 18221
10201 1 20 . 1 1 36 36 VAL C C 27 177.618 177.618 176.937 0.681 18221
10202 1 20 . 1 1 36 36 VAL CA C 27 65.726 65.726 65.832 -0.106 18221
10203 1 20 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.742 -1.075 18221
10204 1 20 . 1 1 36 36 VAL H H 27 7.559 7.559 7.956 -0.397 18221
10205 1 20 . 1 1 37 37 LEU N N 28 119.566 119.566 120.379 -0.813 18221
10206 1 20 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.850 0.103 18221
10207 1 20 . 1 1 37 37 LEU C C 28 179.666 179.666 178.759 0.907 18221
10208 1 20 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.833 -0.988 18221
10209 1 20 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.977 -1.811 18221
10210 1 20 . 1 1 37 37 LEU H H 28 8.086 8.086 7.815 0.271 18221
10211 1 20 . 1 1 38 38 VAL N N 29 119.468 119.468 117.758 1.710 18221
10212 1 20 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.504 0.149 18221
10213 1 20 . 1 1 38 38 VAL C C 29 178.639 178.639 177.936 0.703 18221
10214 1 20 . 1 1 38 38 VAL CA C 29 65.473 65.473 65.901 -0.428 18221
10215 1 20 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.733 -1.124 18221
10216 1 20 . 1 1 38 38 VAL H H 29 8.066 8.066 8.093 -0.027 18221
10217 1 20 . 1 1 39 39 ALA N N 30 124.255 124.255 122.589 1.666 18221
10218 1 20 . 1 1 39 39 ALA HA H 30 4.165 4.165 3.970 0.195 18221
10219 1 20 . 1 1 39 39 ALA C C 30 180.303 180.303 178.665 1.638 18221
10220 1 20 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.207 -0.373 18221
10221 1 20 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.276 -0.568 18221
10222 1 20 . 1 1 39 39 ALA H H 30 7.688 7.688 7.824 -0.136 18221
10223 1 20 . 1 1 40 40 LEU N N 31 118.268 118.268 119.851 -1.583 18221
10224 1 20 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.171 -0.030 18221
10225 1 20 . 1 1 40 40 LEU C C 31 179.271 179.271 179.211 0.060 18221
10226 1 20 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.505 -0.427 18221
10227 1 20 . 1 1 40 40 LEU CB C 31 40.902 40.902 41.877 -0.975 18221
10228 1 20 . 1 1 40 40 LEU H H 31 8.326 8.326 8.059 0.267 18221
10229 1 20 . 1 1 41 41 SER N N 32 114.984 114.984 114.999 -0.015 18221
10230 1 20 . 1 1 41 41 SER HA H 32 3.952 3.952 4.107 -0.155 18221
10231 1 20 . 1 1 41 41 SER C C 32 176.284 176.284 176.224 0.060 18221
10232 1 20 . 1 1 41 41 SER CA C 32 60.885 60.885 61.417 -0.532 18221
10233 1 20 . 1 1 41 41 SER CB C 32 62.410 62.410 63.016 -0.606 18221
10234 1 20 . 1 1 41 41 SER H H 32 8.062 8.062 8.308 -0.246 18221
10235 1 20 . 1 1 42 42 ALA N N 33 124.588 124.588 123.736 0.852 18221
10236 1 20 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.462 -0.237 18221
10237 1 20 . 1 1 42 42 ALA C C 33 179.033 179.033 177.487 1.546 18221
10238 1 20 . 1 1 42 42 ALA CA C 33 53.713 53.713 51.214 2.499 18221
10239 1 20 . 1 1 42 42 ALA CB C 33 17.929 17.929 17.929 -0.000 18221
10240 1 20 . 1 1 42 42 ALA H H 33 7.813 7.813 7.894 -0.081 18221
10241 1 20 . 1 1 43 43 MET N N 34 116.808 116.808 119.515 -2.707 18221
10242 1 20 . 1 1 43 43 MET HA H 34 4.285 4.285 4.319 -0.034 18221
10243 1 20 . 1 1 43 43 MET C C 34 176.807 176.807 177.292 -0.485 18221
10244 1 20 . 1 1 43 43 MET CA C 34 56.576 56.576 57.740 -1.164 18221
10245 1 20 . 1 1 43 43 MET CB C 34 32.435 32.435 33.229 -0.794 18221
10246 1 20 . 1 1 43 43 MET H H 34 7.691 7.691 8.012 -0.321 18221
10247 1 20 . 1 1 44 44 GLY N N 35 107.020 107.020 104.586 2.434 18221
10248 1 20 . 1 1 44 44 GLY C C 35 174.493 174.493 173.594 0.899 18221
10249 1 20 . 1 1 44 44 GLY CA C 35 45.065 45.065 44.800 0.265 18221
10250 1 20 . 1 1 44 44 GLY H H 35 7.793 7.793 8.174 -0.381 18221
10251 1 20 . 1 1 45 45 PHE N N 36 120.285 120.285 119.878 0.407 18221
10252 1 20 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.666 -0.159 18221
10253 1 20 . 1 1 45 45 PHE C C 36 176.876 176.876 174.968 1.908 18221
10254 1 20 . 1 1 45 45 PHE CA C 36 58.937 58.937 57.737 1.200 18221
10255 1 20 . 1 1 45 45 PHE CB C 36 38.178 38.178 39.249 -1.071 18221
10256 1 20 . 1 1 45 45 PHE H H 36 8.215 8.215 7.862 0.353 18221
10257 1 20 . 1 1 46 46 THR N N 37 114.008 114.008 117.393 -3.385 18221
10258 1 20 . 1 1 46 46 THR HA H 37 4.080 4.080 3.950 0.130 18221
10259 1 20 . 1 1 46 46 THR C C 37 175.751 175.751 174.714 1.037 18221
10260 1 20 . 1 1 46 46 THR CA C 37 64.220 64.220 63.421 0.799 18221
10261 1 20 . 1 1 46 46 THR CB C 37 68.514 68.514 69.468 -0.954 18221
10262 1 20 . 1 1 46 46 THR H H 37 8.111 8.111 8.104 0.007 18221
10263 1 20 . 1 1 47 47 SER N N 38 116.646 116.646 111.460 5.186 18221
10264 1 20 . 1 1 47 47 SER HA H 38 3.918 3.918 4.438 -0.520 18221
10265 1 20 . 1 1 47 47 SER C C 38 176.744 176.744 175.202 1.542 18221
10266 1 20 . 1 1 47 47 SER CA C 38 59.911 59.911 59.207 0.704 18221
10267 1 20 . 1 1 47 47 SER CB C 38 62.624 62.624 63.585 -0.961 18221
10268 1 20 . 1 1 47 47 SER H H 38 8.079 8.079 8.385 -0.306 18221
10269 1 20 . 1 1 48 48 VAL N N 39 121.929 121.929 122.713 -0.784 18221
10270 1 20 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.784 0.125 18221
10271 1 20 . 1 1 48 48 VAL C C 39 177.033 177.033 177.560 -0.527 18221
10272 1 20 . 1 1 48 48 VAL CA C 39 64.988 64.988 65.903 -0.915 18221
10273 1 20 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.415 -0.748 18221
10274 1 20 . 1 1 48 48 VAL H H 39 7.985 7.985 7.974 0.011 18221
10275 1 20 . 1 1 49 49 GLY N N 40 108.633 108.633 108.240 0.393 18221
10276 1 20 . 1 1 49 49 GLY C C 40 176.038 176.038 176.315 -0.277 18221
10277 1 20 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.734 -0.869 18221
10278 1 20 . 1 1 49 49 GLY H H 40 8.267 8.267 8.651 -0.384 18221
10279 1 20 . 1 1 50 50 ILE N N 41 122.466 122.466 122.802 -0.336 18221
10280 1 20 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.709 0.162 18221
10281 1 20 . 1 1 50 50 ILE C C 41 178.363 178.363 177.530 0.833 18221
10282 1 20 . 1 1 50 50 ILE CA C 41 63.515 63.515 63.933 -0.418 18221
10283 1 20 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.851 -0.613 18221
10284 1 20 . 1 1 50 50 ILE H H 41 7.865 7.865 7.961 -0.096 18221
10285 1 20 . 1 1 51 51 ALA N N 42 125.064 125.064 121.902 3.162 18221
10286 1 20 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.845 0.254 18221
10287 1 20 . 1 1 51 51 ALA C C 42 179.385 179.385 179.134 0.251 18221
10288 1 20 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.193 -0.713 18221
10289 1 20 . 1 1 51 51 ALA CB C 42 17.487 17.487 18.075 -0.588 18221
10290 1 20 . 1 1 51 51 ALA H H 42 7.930 7.930 8.144 -0.214 18221
10291 1 20 . 1 1 52 52 ALA N N 43 120.594 120.594 120.489 0.105 18221
10292 1 20 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.024 -0.086 18221
10293 1 20 . 1 1 52 52 ALA C C 43 179.088 179.088 180.044 -0.956 18221
10294 1 20 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.917 0.183 18221
10295 1 20 . 1 1 52 52 ALA CB C 43 17.635 17.635 17.905 -0.270 18221
10296 1 20 . 1 1 52 52 ALA H H 43 8.639 8.639 8.479 0.160 18221
10297 1 20 . 1 1 53 53 SER N N 44 113.012 113.012 114.434 -1.422 18221
10298 1 20 . 1 1 53 53 SER HA H 44 3.966 3.966 4.210 -0.244 18221
10299 1 20 . 1 1 53 53 SER C C 44 176.898 176.898 176.933 -0.035 18221
10300 1 20 . 1 1 53 53 SER CA C 44 61.139 61.139 61.738 -0.599 18221
10301 1 20 . 1 1 53 53 SER CB C 44 62.347 62.347 63.066 -0.720 18221
10302 1 20 . 1 1 53 53 SER H H 44 8.193 8.193 8.199 -0.006 18221
10303 1 20 . 1 1 54 54 SER N N 45 118.714 118.714 118.931 -0.217 18221
10304 1 20 . 1 1 54 54 SER HA H 45 3.975 3.975 4.215 -0.240 18221
10305 1 20 . 1 1 54 54 SER C C 45 177.131 177.131 176.478 0.653 18221
10306 1 20 . 1 1 54 54 SER CA C 45 61.210 61.210 62.466 -1.256 18221
10307 1 20 . 1 1 54 54 SER CB C 45 62.255 62.255 62.881 -0.626 18221
10308 1 20 . 1 1 54 54 SER H H 45 7.944 7.944 8.198 -0.254 18221
10309 1 20 . 1 1 55 55 ILE N N 46 122.912 122.912 121.501 1.411 18221
10310 1 20 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.608 0.149 18221
10311 1 20 . 1 1 55 55 ILE C C 46 177.813 177.813 177.490 0.323 18221
10312 1 20 . 1 1 55 55 ILE CA C 46 64.191 64.191 65.303 -1.112 18221
10313 1 20 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.923 -0.997 18221
10314 1 20 . 1 1 55 55 ILE H H 46 8.028 8.028 8.332 -0.304 18221
10315 1 20 . 1 1 56 56 ALA N N 47 122.990 122.990 120.309 2.681 18221
10316 1 20 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.010 -0.054 18221
10317 1 20 . 1 1 56 56 ALA C C 47 180.294 180.294 179.665 0.629 18221
10318 1 20 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.662 -0.324 18221
10319 1 20 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.474 -0.773 18221
10320 1 20 . 1 1 56 56 ALA H H 47 8.333 8.333 7.634 0.699 18221
10321 1 20 . 1 1 57 57 ALA N N 48 121.988 121.988 119.818 2.170 18221
10322 1 20 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.036 0.032 18221
10323 1 20 . 1 1 57 57 ALA CA C 48 54.421 54.421 54.530 -0.109 18221
10324 1 20 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.103 -1.401 18221
10325 1 20 . 1 1 57 57 ALA H H 48 7.879 7.879 7.919 -0.040 18221
10326 1 20 . 1 1 58 58 LYS N N 49 119.094 119.094 113.754 5.340 18221
10327 1 20 . 1 1 58 58 LYS HA H 49 4.146 4.146 4.387 -0.241 18221
10328 1 20 . 1 1 58 58 LYS C C 49 179.649 179.649 175.245 4.404 18221
10329 1 20 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.551 0.606 18221
10330 1 20 . 1 1 58 58 LYS CB C 49 31.330 31.330 35.057 -3.727 18221
10331 1 20 . 1 1 58 58 LYS H H 49 7.727 7.727 8.414 -0.687 18221
10332 1 20 . 1 1 59 59 MET N N 50 120.498 120.498 114.388 6.110 18221
10333 1 20 . 1 1 59 59 MET HA H 50 4.156 4.156 4.689 -0.533 18221
10334 1 20 . 1 1 59 59 MET C C 50 177.949 177.949 174.133 3.816 18221
10335 1 20 . 1 1 59 59 MET CA C 50 57.136 57.136 55.390 1.746 18221
10336 1 20 . 1 1 59 59 MET CB C 50 31.922 31.922 33.870 -1.948 18221
10337 1 20 . 1 1 59 59 MET H H 50 8.395 8.395 8.088 0.307 18221
10338 1 20 . 1 1 60 60 MET N N 51 117.689 117.689 122.267 -4.578 18221
10339 1 20 . 1 1 60 60 MET HA H 51 4.222 4.222 4.372 -0.150 18221
10340 1 20 . 1 1 60 60 MET C C 51 177.674 177.674 175.209 2.465 18221
10341 1 20 . 1 1 60 60 MET CA C 51 57.638 57.638 56.453 1.185 18221
10342 1 20 . 1 1 60 60 MET CB C 51 31.785 31.785 31.692 0.093 18221
10343 1 20 . 1 1 60 60 MET H H 51 8.234 8.234 8.213 0.021 18221
10344 1 20 . 1 1 61 61 SER N N 52 114.385 114.385 117.889 -3.504 18221
10345 1 20 . 1 1 61 61 SER HA H 52 4.001 4.001 4.591 -0.590 18221
10346 1 20 . 1 1 61 61 SER C C 52 176.079 176.079 173.747 2.332 18221
10347 1 20 . 1 1 61 61 SER CA C 52 59.911 59.911 58.751 1.160 18221
10348 1 20 . 1 1 61 61 SER CB C 52 62.624 62.624 64.484 -1.859 18221
10349 1 20 . 1 1 61 61 SER H H 52 7.893 7.893 8.138 -0.245 18221
10350 1 20 . 1 1 62 62 THR N N 53 117.304 117.304 118.092 -0.788 18221
10351 1 20 . 1 1 62 62 THR HA H 53 4.104 4.104 4.419 -0.315 18221
10352 1 20 . 1 1 62 62 THR C C 53 175.436 175.436 174.945 0.491 18221
10353 1 20 . 1 1 62 62 THR CA C 53 64.220 64.220 62.253 1.967 18221
10354 1 20 . 1 1 62 62 THR CB C 53 68.514 68.514 69.141 -0.627 18221
10355 1 20 . 1 1 62 62 THR H H 53 7.794 7.794 8.500 -0.706 18221
10356 1 20 . 1 1 63 63 ALA N N 54 125.382 125.382 121.447 3.935 18221
10357 1 20 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.004 0.090 18221
10358 1 20 . 1 1 63 63 ALA C C 54 178.328 178.328 176.215 2.113 18221
10359 1 20 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.704 1.392 18221
10360 1 20 . 1 1 63 63 ALA CB C 54 17.708 17.708 17.556 0.152 18221
10361 1 20 . 1 1 63 63 ALA H H 54 8.204 8.204 8.156 0.048 18221
10362 1 20 . 1 1 64 64 ALA N N 55 119.929 119.929 122.094 -2.165 18221
10363 1 20 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.668 -0.543 18221
10364 1 20 . 1 1 64 64 ALA C C 55 179.183 179.183 178.569 0.614 18221
10365 1 20 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.885 1.152 18221
10366 1 20 . 1 1 64 64 ALA CB C 55 17.708 17.708 19.052 -1.344 18221
10367 1 20 . 1 1 64 64 ALA H H 55 7.951 7.951 8.142 -0.191 18221
10368 1 20 . 1 1 65 65 ILE N N 56 117.016 117.016 120.912 -3.896 18221
10369 1 20 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.028 -0.078 18221
10370 1 20 . 1 1 65 65 ILE C C 56 177.222 177.222 176.693 0.529 18221
10371 1 20 . 1 1 65 65 ILE CA C 56 62.184 62.184 62.469 -0.285 18221
10372 1 20 . 1 1 65 65 ILE CB C 56 37.073 37.073 37.275 -0.202 18221
10373 1 20 . 1 1 65 65 ILE H H 56 7.561 7.561 8.032 -0.471 18221
10374 1 20 . 1 1 66 66 ALA N N 57 124.191 124.191 122.793 1.398 18221
10375 1 20 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.010 0.167 18221
10376 1 20 . 1 1 66 66 ALA C C 57 178.190 178.190 176.187 2.003 18221
10377 1 20 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.372 1.164 18221
10378 1 20 . 1 1 66 66 ALA CB C 57 17.929 17.929 18.465 -0.536 18221
10379 1 20 . 1 1 66 66 ALA H H 57 7.982 7.982 8.000 -0.018 18221
10380 1 20 . 1 1 67 67 ASN N N 58 116.132 116.132 120.812 -4.680 18221
10381 1 20 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.789 -0.116 18221
10382 1 20 . 1 1 67 67 ASN C C 58 176.344 176.344 175.535 0.809 18221
10383 1 20 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.138 0.339 18221
10384 1 20 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.798 -0.326 18221
10385 1 20 . 1 1 67 67 ASN H H 58 8.113 8.113 8.246 -0.133 18221
10386 1 20 . 1 1 68 68 GLY N N 59 108.808 108.808 111.909 -3.101 18221
10387 1 20 . 1 1 68 68 GLY C C 59 174.958 174.958 174.184 0.774 18221
10388 1 20 . 1 1 68 68 GLY CA C 59 45.655 45.655 44.722 0.933 18221
10389 1 20 . 1 1 68 68 GLY H H 59 8.152 8.152 8.637 -0.485 18221
10390 1 20 . 1 1 69 69 GLY N N 60 108.832 108.832 110.424 -1.592 18221
10391 1 20 . 1 1 69 69 GLY C C 60 174.631 174.631 174.599 0.032 18221
10392 1 20 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.823 0.596 18221
10393 1 20 . 1 1 69 69 GLY H H 60 8.218 8.218 8.270 -0.052 18221
10394 1 20 . 1 1 70 70 GLY N N 61 108.966 108.966 111.149 -2.183 18221
10395 1 20 . 1 1 70 70 GLY C C 61 174.594 174.594 174.681 -0.087 18221
10396 1 20 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.363 0.997 18221
10397 1 20 . 1 1 70 70 GLY H H 61 8.175 8.175 8.095 0.080 18221
10398 1 20 . 1 1 71 71 VAL N N 62 120.209 120.209 116.134 4.075 18221
10399 1 20 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.802 0.204 18221
10400 1 20 . 1 1 71 71 VAL C C 62 176.077 176.077 176.509 -0.432 18221
10401 1 20 . 1 1 71 71 VAL CA C 62 62.390 62.390 64.350 -1.960 18221
10402 1 20 . 1 1 71 71 VAL CB C 62 31.698 31.698 31.658 0.040 18221
10403 1 20 . 1 1 71 71 VAL H H 62 7.882 7.882 8.297 -0.415 18221
10404 1 20 . 1 1 72 72 ALA N N 63 126.966 126.966 122.745 4.221 18221
10405 1 20 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.106 -0.080 18221
10406 1 20 . 1 1 72 72 ALA C C 63 178.064 178.064 176.592 1.472 18221
10407 1 20 . 1 1 72 72 ALA CA C 63 52.503 52.503 52.423 0.080 18221
10408 1 20 . 1 1 72 72 ALA CB C 63 18.225 18.225 19.169 -0.944 18221
10409 1 20 . 1 1 72 72 ALA H H 63 8.237 8.237 7.778 0.459 18221
10410 1 20 . 1 1 73 73 ALA N N 64 123.432 123.432 120.333 3.099 18221
10411 1 20 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.060 -0.045 18221
10412 1 20 . 1 1 73 73 ALA C C 64 178.995 178.995 176.708 2.287 18221
10413 1 20 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.232 2.189 18221
10414 1 20 . 1 1 73 73 ALA CB C 64 18.003 18.003 18.714 -0.711 18221
10415 1 20 . 1 1 73 73 ALA H H 64 8.421 8.421 8.141 0.280 18221
10416 1 20 . 1 1 74 74 GLY N N 65 105.577 105.577 110.082 -4.505 18221
10417 1 20 . 1 1 74 74 GLY C C 65 176.367 176.367 174.542 1.825 18221
10418 1 20 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.538 1.706 18221
10419 1 20 . 1 1 74 74 GLY H H 65 8.448 8.448 7.722 0.726 18221
10420 1 20 . 1 1 75 75 SER N N 66 117.656 117.656 116.151 1.505 18221
10421 1 20 . 1 1 75 75 SER HA H 66 4.394 4.394 4.206 0.188 18221
10422 1 20 . 1 1 75 75 SER C C 66 176.329 176.329 176.609 -0.280 18221
10423 1 20 . 1 1 75 75 SER CA C 66 60.236 60.236 61.168 -0.932 18221
10424 1 20 . 1 1 75 75 SER CB C 66 62.476 62.476 63.089 -0.613 18221
10425 1 20 . 1 1 75 75 SER H H 66 7.899 7.899 8.674 -0.775 18221
10426 1 20 . 1 1 76 76 LEU N N 67 122.743 122.743 122.801 -0.058 18221
10427 1 20 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.942 0.108 18221
10428 1 20 . 1 1 76 76 LEU C C 67 178.442 178.442 178.333 0.109 18221
10429 1 20 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.667 -0.147 18221
10430 1 20 . 1 1 76 76 LEU CB C 67 40.681 40.681 42.008 -1.327 18221
10431 1 20 . 1 1 76 76 LEU H H 67 7.955 7.955 8.048 -0.093 18221
10432 1 20 . 1 1 77 77 VAL N N 68 118.400 118.400 118.348 0.052 18221
10433 1 20 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.456 0.015 18221
10434 1 20 . 1 1 77 77 VAL C C 68 177.297 177.297 177.226 0.071 18221
10435 1 20 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.954 -0.284 18221
10436 1 20 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.278 -0.758 18221
10437 1 20 . 1 1 77 77 VAL H H 68 8.039 8.039 8.069 -0.030 18221
10438 1 20 . 1 1 78 78 ALA N N 69 121.927 121.927 121.980 -0.053 18221
10439 1 20 . 1 1 78 78 ALA HA H 69 4.205 4.205 3.980 0.225 18221
10440 1 20 . 1 1 78 78 ALA C C 69 181.258 181.258 179.456 1.802 18221
10441 1 20 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.277 -0.295 18221
10442 1 20 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.227 -0.813 18221
10443 1 20 . 1 1 78 78 ALA H H 69 7.631 7.631 7.981 -0.350 18221
10444 1 20 . 1 1 79 79 ILE N N 70 119.782 119.782 116.928 2.854 18221
10445 1 20 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.884 -0.088 18221
10446 1 20 . 1 1 79 79 ILE C C 70 178.253 178.253 177.524 0.729 18221
10447 1 20 . 1 1 79 79 ILE CA C 70 64.352 64.352 63.779 0.573 18221
10448 1 20 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.872 -0.799 18221
10449 1 20 . 1 1 79 79 ILE H H 70 7.841 7.841 7.667 0.174 18221
10450 1 20 . 1 1 80 80 LEU N N 71 120.841 120.841 122.072 -1.231 18221
10451 1 20 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.754 0.183 18221
10452 1 20 . 1 1 80 80 LEU C C 71 179.234 179.234 178.658 0.576 18221
10453 1 20 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.715 -0.870 18221
10454 1 20 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.749 -1.730 18221
10455 1 20 . 1 1 80 80 LEU H H 71 8.190 8.190 8.217 -0.027 18221
10456 1 20 . 1 1 81 81 GLN N N 72 117.558 117.558 117.244 0.314 18221
10457 1 20 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.939 0.030 18221
10458 1 20 . 1 1 81 81 GLN C C 72 178.530 178.530 178.702 -0.172 18221
10459 1 20 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.002 -0.183 18221
10460 1 20 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.738 -1.458 18221
10461 1 20 . 1 1 81 81 GLN H H 72 8.489 8.489 8.404 0.085 18221
10462 1 20 . 1 1 82 82 SER N N 73 116.103 116.103 115.726 0.377 18221
10463 1 20 . 1 1 82 82 SER HA H 73 4.233 4.233 4.135 0.098 18221
10464 1 20 . 1 1 82 82 SER C C 73 177.243 177.243 176.652 0.591 18221
10465 1 20 . 1 1 82 82 SER CA C 73 61.044 61.044 62.254 -1.210 18221
10466 1 20 . 1 1 82 82 SER CB C 73 62.257 62.257 63.271 -1.014 18221
10467 1 20 . 1 1 82 82 SER H H 73 7.855 7.855 8.158 -0.303 18221
10468 1 20 . 1 1 83 83 VAL N N 74 120.362 120.362 118.822 1.540 18221
10469 1 20 . 1 1 83 83 VAL C C 74 177.979 177.979 177.546 0.433 18221
10470 1 20 . 1 1 83 83 VAL CA C 74 65.106 65.106 65.129 -0.023 18221
10471 1 20 . 1 1 83 83 VAL CB C 74 30.741 30.741 30.632 0.109 18221
10472 1 20 . 1 1 83 83 VAL H H 74 8.030 8.030 8.153 -0.123 18221
10473 1 20 . 1 1 84 84 GLY N N 75 108.223 108.223 108.477 -0.254 18221
10474 1 20 . 1 1 84 84 GLY C C 75 174.913 174.913 175.563 -0.650 18221
10475 1 20 . 1 1 84 84 GLY CA C 75 46.777 46.777 46.983 -0.205 18221
10476 1 20 . 1 1 84 84 GLY H H 75 8.369 8.369 7.875 0.494 18221
10477 1 20 . 1 1 85 85 ALA N N 76 123.550 123.550 124.457 -0.907 18221
10478 1 20 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.087 0.007 18221
10479 1 20 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.872 -0.274 18221
10480 1 20 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.305 -0.683 18221
10481 1 20 . 1 1 85 85 ALA H H 76 8.115 8.115 8.344 -0.229 18221
10482 1 20 . 1 1 86 86 ALA N N 77 120.410 120.410 120.783 -0.373 18221
10483 1 20 . 1 1 86 86 ALA C C 77 178.988 178.988 179.533 -0.545 18221
10484 1 20 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.355 -0.520 18221
10485 1 20 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.931 -0.421 18221
10486 1 20 . 1 1 86 86 ALA H H 77 8.632 8.632 8.346 0.286 18221
10487 1 20 . 1 1 87 87 GLY N N 78 105.706 105.706 107.255 -1.549 18221
10488 1 20 . 1 1 87 87 GLY C C 78 175.939 175.939 176.133 -0.194 18221
10489 1 20 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.969 -0.851 18221
10490 1 20 . 1 1 87 87 GLY H H 78 8.196 8.196 7.784 0.412 18221
10491 1 20 . 1 1 88 88 LEU N N 79 124.128 124.128 121.539 2.589 18221
10492 1 20 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.816 -0.414 18221
10493 1 20 . 1 1 88 88 LEU CB C 79 40.387 40.387 42.031 -1.644 18221
10494 1 20 . 1 1 88 88 LEU H H 79 8.449 8.449 8.061 0.388 18221
10495 1 20 . 1 1 89 89 SER N N 80 116.251 116.251 114.843 1.408 18221
10496 1 20 . 1 1 89 89 SER C C 80 179.153 179.153 176.312 2.841 18221
10497 1 20 . 1 1 89 89 SER CA C 80 61.023 61.023 62.544 -1.521 18221
10498 1 20 . 1 1 89 89 SER CB C 80 62.255 62.255 63.011 -0.756 18221
10499 1 20 . 1 1 89 89 SER H H 80 8.120 8.120 8.161 -0.041 18221
10500 1 20 . 1 1 90 90 VAL N N 81 119.310 119.310 121.619 -2.309 18221
10501 1 20 . 1 1 90 90 VAL C C 81 177.652 177.652 177.660 -0.008 18221
10502 1 20 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.908 -0.832 18221
10503 1 20 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.630 -0.300 18221
10504 1 20 . 1 1 90 90 VAL H H 81 7.955 7.955 7.998 -0.043 18221
10505 1 20 . 1 1 91 91 THR N N 82 115.535 115.535 116.486 -0.951 18221
10506 1 20 . 1 1 91 91 THR C C 82 176.571 176.571 176.455 0.116 18221
10507 1 20 . 1 1 91 91 THR CA C 82 66.434 66.434 67.328 -0.894 18221
10508 1 20 . 1 1 91 91 THR CB C 82 67.742 67.742 68.720 -0.978 18221
10509 1 20 . 1 1 91 91 THR H H 82 7.888 7.888 8.493 -0.605 18221
10510 1 20 . 1 1 92 92 SER N N 83 116.537 116.537 116.890 -0.353 18221
10511 1 20 . 1 1 92 92 SER HA H 83 4.040 4.040 3.936 0.104 18221
10512 1 20 . 1 1 92 92 SER C C 83 176.761 176.761 176.299 0.462 18221
10513 1 20 . 1 1 92 92 SER CA C 83 61.564 61.564 61.418 0.146 18221
10514 1 20 . 1 1 92 92 SER CB C 83 62.009 62.009 62.796 -0.787 18221
10515 1 20 . 1 1 92 92 SER H H 83 8.212 8.212 8.070 0.142 18221
10516 1 20 . 1 1 93 93 LYS N N 84 122.353 122.353 120.966 1.387 18221
10517 1 20 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.964 0.155 18221
10518 1 20 . 1 1 93 93 LYS C C 84 172.812 172.812 179.286 -6.474 18221
10519 1 20 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.449 -1.014 18221
10520 1 20 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.434 -0.957 18221
10521 1 20 . 1 1 93 93 LYS H H 84 7.642 7.642 8.268 -0.626 18221
10522 1 20 . 1 1 94 94 VAL N N 85 119.348 119.348 118.018 1.330 18221
10523 1 20 . 1 1 94 94 VAL C C 85 177.948 177.948 176.956 0.992 18221
10524 1 20 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.819 -0.430 18221
10525 1 20 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.832 0.014 18221
10526 1 20 . 1 1 94 94 VAL H H 85 8.414 8.414 7.714 0.700 18221
10527 1 20 . 1 1 95 95 ILE N N 86 118.769 118.769 117.588 1.181 18221
10528 1 20 . 1 1 95 95 ILE C C 86 177.972 177.972 176.611 1.361 18221
10529 1 20 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.117 0.720 18221
10530 1 20 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.768 -2.136 18221
10531 1 20 . 1 1 95 95 ILE H H 86 8.169 8.169 7.554 0.615 18221
10532 1 20 . 1 1 96 96 GLY N N 87 107.955 107.955 105.940 2.015 18221
10533 1 20 . 1 1 96 96 GLY C C 87 176.571 176.571 174.132 2.439 18221
10534 1 20 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.582 1.929 18221
10535 1 20 . 1 1 96 96 GLY H H 87 8.182 8.182 8.195 -0.013 18221
10536 1 20 . 1 1 97 97 GLY N N 88 109.117 109.117 109.491 -0.374 18221
10537 1 20 . 1 1 97 97 GLY C C 88 175.524 175.524 173.778 1.746 18221
10538 1 20 . 1 1 97 97 GLY CA C 88 45.832 45.832 45.402 0.430 18221
10539 1 20 . 1 1 97 97 GLY H H 88 7.953 7.953 7.718 0.235 18221
10540 1 20 . 1 1 98 98 PHE N N 89 121.100 121.100 121.888 -0.788 18221
10541 1 20 . 1 1 98 98 PHE C C 89 176.367 176.367 174.821 1.546 18221
10542 1 20 . 1 1 98 98 PHE CA C 89 56.900 56.900 57.883 -0.983 18221
10543 1 20 . 1 1 98 98 PHE CB C 89 38.832 38.832 39.538 -0.706 18221
10544 1 20 . 1 1 98 98 PHE H H 89 8.000 8.000 8.426 -0.426 18221
10545 1 20 . 1 1 99 99 ALA N N 90 122.834 122.834 127.686 -4.852 18221
10546 1 20 . 1 1 99 99 ALA C C 90 178.348 178.348 176.892 1.456 18221
10547 1 20 . 1 1 99 99 ALA CA C 90 55.277 55.277 51.996 3.281 18221
10548 1 20 . 1 1 99 99 ALA CB C 90 17.414 17.414 20.107 -2.693 18221
10549 1 20 . 1 1 99 99 ALA H H 90 8.322 8.322 8.344 -0.022 18221
10550 1 20 . 1 1 100 100 GLY N N 91 106.688 106.688 111.275 -4.587 18221
10551 1 20 . 1 1 100 100 GLY C C 91 175.878 175.878 174.870 1.008 18221
10552 1 20 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.722 -0.097 18221
10553 1 20 . 1 1 100 100 GLY H H 91 8.000 8.000 8.573 -0.573 18221
10554 1 20 . 1 1 101 101 THR N N 92 115.689 115.689 113.529 2.160 18221
10555 1 20 . 1 1 101 101 THR C C 92 178.476 178.476 173.678 4.798 18221
10556 1 20 . 1 1 101 101 THR CA C 92 63.364 63.364 61.859 1.505 18221
10557 1 20 . 1 1 101 101 THR CB C 92 69.619 69.619 69.552 0.067 18221
10558 1 20 . 1 1 101 101 THR H H 92 7.754 7.754 8.007 -0.253 18221
10559 1 20 . 1 1 102 102 ALA N N 93 124.835 124.835 122.761 2.074 18221
10560 1 20 . 1 1 102 102 ALA CA C 93 54.311 54.311 52.688 1.623 18221
10561 1 20 . 1 1 102 102 ALA CB C 93 17.679 17.679 19.024 -1.345 18221
10562 1 20 . 1 1 102 102 ALA H H 93 7.919 7.919 8.024 -0.105 18221
10563 1 20 . 1 1 103 103 LEU N N 94 117.445 117.445 120.236 -2.791 18221
10564 1 20 . 1 1 103 103 LEU CA C 94 56.782 56.782 54.458 2.324 18221
10565 1 20 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.688 -0.786 18221
10566 1 20 . 1 1 103 103 LEU H H 94 8.037 8.037 8.169 -0.132 18221
10567 1 20 . 1 1 104 104 GLY N N 95 106.296 106.296 110.784 -4.488 18221
10568 1 20 . 1 1 104 104 GLY C C 95 175.851 175.851 174.916 0.935 18221
10569 1 20 . 1 1 104 104 GLY CA C 95 46.570 46.570 45.226 1.344 18221
10570 1 20 . 1 1 104 104 GLY H H 95 7.900 7.900 8.417 -0.517 18221
10571 1 20 . 1 1 105 105 ALA N N 96 123.872 123.872 122.827 1.045 18221
10572 1 20 . 1 1 105 105 ALA CA C 96 54.126 54.126 51.358 2.768 18221
10573 1 20 . 1 1 105 105 ALA CB C 96 17.587 17.587 18.245 -0.659 18221
10574 1 20 . 1 1 105 105 ALA H H 96 7.804 7.804 8.086 -0.282 18221
10575 1 20 . 1 1 106 106 TRP N N 97 120.348 120.348 120.608 -0.260 18221
10576 1 20 . 1 1 106 106 TRP C C 97 176.857 176.857 174.419 2.438 18221
10577 1 20 . 1 1 106 106 TRP CA C 97 56.900 56.900 57.360 -0.460 18221
10578 1 20 . 1 1 106 106 TRP H H 97 8.385 8.385 7.768 0.617 18221
10579 1 20 . 1 1 107 107 LEU N N 98 117.756 117.756 129.475 -11.719 18221
10580 1 20 . 1 1 107 107 LEU C C 98 177.659 177.659 176.016 1.643 18221
10581 1 20 . 1 1 107 107 LEU CA C 98 55.103 55.103 54.519 0.584 18221
10582 1 20 . 1 1 107 107 LEU CB C 98 41.418 41.418 43.209 -1.791 18221
10583 1 20 . 1 1 107 107 LEU H H 98 7.880 7.880 8.135 -0.255 18221
10584 1 20 . 1 1 108 108 GLY N N 99 107.285 107.285 107.605 -0.320 18221
10585 1 20 . 1 1 108 108 GLY C C 99 173.815 173.815 173.705 0.110 18221
10586 1 20 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.394 0.553 18221
10587 1 20 . 1 1 108 108 GLY H H 99 7.694 7.694 7.611 0.083 18221
10588 1 20 . 1 1 109 109 SER N N 100 117.139 117.139 116.735 0.404 18221
10589 1 20 . 1 1 109 109 SER C C 100 172.179 172.179 173.109 -0.930 18221
10590 1 20 . 1 1 109 109 SER CA C 100 56.015 56.015 57.847 -1.832 18221
10591 1 20 . 1 1 109 109 SER CB C 100 62.771 62.771 63.320 -0.549 18221
10592 1 20 . 1 1 109 109 SER H H 100 8.030 8.030 8.363 -0.333 18221
10593 1 20 . 1 1 111 111 PRO C C 102 177.073 177.073 176.795 0.278 18221
10594 1 20 . 1 1 111 111 PRO CA C 102 62.199 62.199 62.584 -0.384 18221
10595 1 20 . 1 1 111 111 PRO CB C 102 31.211 31.211 32.753 -1.542 18221
10596 1 20 . 1 1 112 112 SER N N 103 117.115 117.115 116.240 0.875 18221
10597 1 20 . 1 1 112 112 SER C C 103 173.898 173.898 174.704 -0.806 18221
10598 1 20 . 1 1 112 112 SER CA C 103 57.904 57.904 59.078 -1.174 18221
10599 1 20 . 1 1 112 112 SER CB C 103 63.360 63.360 63.737 -0.377 18221
10600 1 20 . 1 1 112 112 SER H H 103 8.345 8.345 8.634 -0.289 18221
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 99 2.354 0.342 2.341 18221
2 1 1 "Average Difference" HA 89 0.257 0.030 0.257 18221
3 1 1 "Average Difference" C 93 1.631 -0.817 1.419 18221
4 1 1 "Average Difference" CA 100 1.221 -0.345 1.177 18221
5 1 1 "Average Difference" CB 80 1.230 0.825 0.918 18221
6 1 1 "Average Difference" HN 99 0.374 0.042 0.374 18221
7 1 2 "Average Difference" N 99 2.175 0.367 2.154 18221
8 1 2 "Average Difference" HA 89 0.274 0.040 0.272 18221
9 1 2 "Average Difference" C 93 1.645 -0.810 1.439 18221
10 1 2 "Average Difference" CA 100 1.149 -0.200 1.137 18221
11 1 2 "Average Difference" CB 80 1.319 0.924 0.946 18221
12 1 2 "Average Difference" HN 99 0.364 0.030 0.365 18221
13 1 3 "Average Difference" N 99 2.214 0.263 2.210 18221
14 1 3 "Average Difference" HA 89 0.263 0.024 0.263 18221
15 1 3 "Average Difference" C 93 1.566 -0.717 1.400 18221
16 1 3 "Average Difference" CA 100 1.236 -0.213 1.223 18221
17 1 3 "Average Difference" CB 80 1.156 0.832 0.807 18221
18 1 3 "Average Difference" HN 99 0.356 0.053 0.354 18221
19 1 4 "Average Difference" N 99 2.557 0.188 2.563 18221
20 1 4 "Average Difference" HA 89 0.232 0.019 0.232 18221
21 1 4 "Average Difference" C 93 1.650 -0.757 1.474 18221
22 1 4 "Average Difference" CA 100 1.198 -0.133 1.197 18221
23 1 4 "Average Difference" CB 80 1.168 0.789 0.867 18221
24 1 4 "Average Difference" HN 99 0.388 0.021 0.389 18221
25 1 5 "Average Difference" N 99 2.319 0.344 2.305 18221
26 1 5 "Average Difference" HA 89 0.270 0.058 0.265 18221
27 1 5 "Average Difference" C 93 1.615 -0.767 1.429 18221
28 1 5 "Average Difference" CA 100 1.133 -0.141 1.130 18221
29 1 5 "Average Difference" CB 80 1.409 1.069 0.923 18221
30 1 5 "Average Difference" HN 99 0.388 0.073 0.383 18221
31 1 6 "Average Difference" N 99 2.218 0.175 2.223 18221
32 1 6 "Average Difference" HA 89 0.250 0.008 0.252 18221
33 1 6 "Average Difference" C 93 1.542 -0.714 1.374 18221
34 1 6 "Average Difference" CA 100 1.182 -0.157 1.177 18221
35 1 6 "Average Difference" CB 80 1.171 0.931 0.715 18221
36 1 6 "Average Difference" HN 99 0.394 0.094 0.384 18221
37 1 7 "Average Difference" N 99 2.128 0.313 2.115 18221
38 1 7 "Average Difference" HA 89 0.256 0.058 0.251 18221
39 1 7 "Average Difference" C 93 1.643 -0.780 1.454 18221
40 1 7 "Average Difference" CA 100 1.170 -0.147 1.166 18221
41 1 7 "Average Difference" CB 80 1.288 0.928 0.899 18221
42 1 7 "Average Difference" HN 99 0.383 0.044 0.382 18221
43 1 8 "Average Difference" N 99 2.517 0.652 2.443 18221
44 1 8 "Average Difference" HA 89 0.218 0.028 0.217 18221
45 1 8 "Average Difference" C 93 1.581 -0.762 1.393 18221
46 1 8 "Average Difference" CA 100 1.164 -0.241 1.145 18221
47 1 8 "Average Difference" CB 80 1.181 0.783 0.889 18221
48 1 8 "Average Difference" HN 99 0.370 0.092 0.360 18221
49 1 9 "Average Difference" N 99 2.284 0.183 2.288 18221
50 1 9 "Average Difference" HA 89 0.241 0.029 0.240 18221
51 1 9 "Average Difference" C 93 1.579 -0.814 1.360 18221
52 1 9 "Average Difference" CA 100 1.163 -0.307 1.128 18221
53 1 9 "Average Difference" CB 80 1.191 0.860 0.829 18221
54 1 9 "Average Difference" HN 99 0.395 0.043 0.394 18221
55 1 10 "Average Difference" N 99 2.569 0.363 2.557 18221
56 1 10 "Average Difference" HA 89 0.231 0.018 0.232 18221
57 1 10 "Average Difference" C 93 1.545 -0.650 1.409 18221
58 1 10 "Average Difference" CA 100 1.247 -0.103 1.249 18221
59 1 10 "Average Difference" CB 80 1.117 0.793 0.793 18221
60 1 10 "Average Difference" HN 99 0.383 0.078 0.377 18221
61 1 11 "Average Difference" N 99 2.623 0.255 2.624 18221
62 1 11 "Average Difference" HA 89 0.238 0.013 0.239 18221
63 1 11 "Average Difference" C 93 1.589 -0.649 1.458 18221
64 1 11 "Average Difference" CA 100 1.235 -0.258 1.214 18221
65 1 11 "Average Difference" CB 80 1.132 0.864 0.736 18221
66 1 11 "Average Difference" HN 99 0.396 0.041 0.396 18221
67 1 12 "Average Difference" N 99 2.444 0.240 2.445 18221
68 1 12 "Average Difference" HA 89 0.227 0.021 0.228 18221
69 1 12 "Average Difference" C 93 1.441 -0.636 1.300 18221
70 1 12 "Average Difference" CA 100 1.182 -0.143 1.180 18221
71 1 12 "Average Difference" CB 80 1.209 0.867 0.848 18221
72 1 12 "Average Difference" HN 99 0.364 0.064 0.360 18221
73 1 13 "Average Difference" N 99 2.467 0.477 2.433 18221
74 1 13 "Average Difference" HA 89 0.242 0.040 0.240 18221
75 1 13 "Average Difference" C 93 1.452 -0.736 1.259 18221
76 1 13 "Average Difference" CA 100 1.298 -0.254 1.280 18221
77 1 13 "Average Difference" CB 80 1.268 0.867 0.931 18221
78 1 13 "Average Difference" HN 99 0.380 0.054 0.378 18221
79 1 14 "Average Difference" N 99 2.303 0.454 2.270 18221
80 1 14 "Average Difference" HA 89 0.215 0.002 0.216 18221
81 1 14 "Average Difference" C 93 1.552 -0.697 1.395 18221
82 1 14 "Average Difference" CA 100 1.027 -0.188 1.015 18221
83 1 14 "Average Difference" CB 80 1.123 0.826 0.766 18221
84 1 14 "Average Difference" HN 99 0.370 0.116 0.353 18221
85 1 15 "Average Difference" N 99 2.225 0.312 2.214 18221
86 1 15 "Average Difference" HA 89 0.228 0.027 0.228 18221
87 1 15 "Average Difference" C 93 1.565 -0.706 1.404 18221
88 1 15 "Average Difference" CA 100 1.221 -0.152 1.218 18221
89 1 15 "Average Difference" CB 80 1.197 0.783 0.911 18221
90 1 15 "Average Difference" HN 99 0.413 0.065 0.410 18221
91 1 16 "Average Difference" N 99 2.396 0.508 2.353 18221
92 1 16 "Average Difference" HA 89 0.241 0.031 0.241 18221
93 1 16 "Average Difference" C 93 1.637 -0.787 1.443 18221
94 1 16 "Average Difference" CA 100 1.233 -0.238 1.216 18221
95 1 16 "Average Difference" CB 80 1.253 0.959 0.812 18221
96 1 16 "Average Difference" HN 99 0.357 0.068 0.352 18221
97 1 17 "Average Difference" N 99 2.124 0.123 2.131 18221
98 1 17 "Average Difference" HA 89 0.259 0.030 0.259 18221
99 1 17 "Average Difference" C 93 1.513 -0.660 1.369 18221
100 1 17 "Average Difference" CA 100 1.168 -0.239 1.149 18221
101 1 17 "Average Difference" CB 80 1.240 0.948 0.804 18221
102 1 17 "Average Difference" HN 99 0.372 0.056 0.370 18221
103 1 18 "Average Difference" N 99 1.978 0.061 1.987 18221
104 1 18 "Average Difference" HA 89 0.223 0.014 0.223 18221
105 1 18 "Average Difference" C 93 1.501 -0.688 1.341 18221
106 1 18 "Average Difference" CA 100 1.256 -0.144 1.255 18221
107 1 18 "Average Difference" CB 80 1.191 0.838 0.851 18221
108 1 18 "Average Difference" HN 99 0.370 0.079 0.363 18221
109 1 19 "Average Difference" N 99 2.605 0.330 2.597 18221
110 1 19 "Average Difference" HA 89 0.305 0.055 0.302 18221
111 1 19 "Average Difference" C 93 1.563 -0.695 1.407 18221
112 1 19 "Average Difference" CA 100 1.257 -0.187 1.249 18221
113 1 19 "Average Difference" CB 80 1.277 0.961 0.846 18221
114 1 19 "Average Difference" HN 99 0.385 0.075 0.379 18221
115 1 20 "Average Difference" N 99 2.591 0.120 2.601 18221
116 1 20 "Average Difference" HA 89 0.240 0.000 0.242 18221
117 1 20 "Average Difference" C 93 1.547 -0.721 1.376 18221
118 1 20 "Average Difference" CA 100 1.193 -0.188 1.184 18221
119 1 20 "Average Difference" CB 80 1.161 0.919 0.715 18221
120 1 20 "Average Difference" HN 99 0.349 0.048 0.348 18221
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 18221
_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 11 11 GLY N N 2 109.366 109.366 110.266 -0.900 18221
2 1 . 1 1 11 11 GLY C C 2 174.543 174.543 173.565 0.978 18221
3 1 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.063 0.632 18221
4 1 . 1 1 11 11 GLY H H 2 8.271 8.271 8.394 -0.123 18221
5 1 . 1 1 12 12 LYS N N 3 121.129 121.129 121.147 -0.018 18221
6 1 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.328 -0.196 18221
7 1 . 1 1 12 12 LYS C C 3 177.234 177.234 176.085 1.149 18221
8 1 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.807 0.005 18221
9 1 . 1 1 12 12 LYS CB C 3 31.846 31.846 32.980 -1.134 18221
10 1 . 1 1 12 12 LYS H H 3 8.057 8.057 8.281 -0.224 18221
11 1 . 1 1 13 13 GLU N N 4 120.318 120.318 120.571 -0.253 18221
12 1 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.262 -0.107 18221
13 1 . 1 1 13 13 GLU C C 4 176.857 176.857 176.020 0.837 18221
14 1 . 1 1 13 13 GLU CA C 4 56.871 56.871 56.964 -0.093 18221
15 1 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.255 -1.867 18221
16 1 . 1 1 13 13 GLU H H 4 8.398 8.398 8.438 -0.040 18221
17 1 . 1 1 14 14 SER N N 5 115.504 115.504 116.560 -1.056 18221
18 1 . 1 1 14 14 SER HA H 5 3.843 3.843 4.498 -0.655 18221
19 1 . 1 1 14 14 SER C C 5 175.337 175.337 174.403 0.934 18221
20 1 . 1 1 14 14 SER CA C 5 58.524 58.524 58.525 -0.001 18221
21 1 . 1 1 14 14 SER CB C 5 63.360 63.360 63.684 -0.324 18221
22 1 . 1 1 14 14 SER H H 5 8.089 8.089 8.357 -0.269 18221
23 1 . 1 1 15 15 GLY N N 6 110.761 110.761 111.952 -1.191 18221
24 1 . 1 1 15 15 GLY C C 6 174.581 174.581 173.837 0.744 18221
25 1 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.082 0.484 18221
26 1 . 1 1 15 15 GLY H H 6 8.197 8.197 8.334 -0.137 18221
27 1 . 1 1 16 16 TRP N N 7 121.800 121.800 122.758 -0.958 18221
28 1 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.617 -0.057 18221
29 1 . 1 1 16 16 TRP C C 7 176.920 176.920 175.295 1.625 18221
30 1 . 1 1 16 16 TRP CA C 7 58.081 58.081 57.296 0.785 18221
31 1 . 1 1 16 16 TRP CB C 7 28.679 28.679 29.636 -0.957 18221
32 1 . 1 1 16 16 TRP H H 7 8.184 8.184 8.216 -0.032 18221
33 1 . 1 1 17 17 ASP N N 8 121.132 121.132 121.759 -0.627 18221
34 1 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.610 -0.215 18221
35 1 . 1 1 17 17 ASP C C 8 176.941 176.941 175.316 1.625 18221
36 1 . 1 1 17 17 ASP CA C 8 56.244 56.244 54.443 1.801 18221
37 1 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.514 -1.569 18221
38 1 . 1 1 17 17 ASP H H 8 8.332 8.332 8.185 0.147 18221
39 1 . 1 1 18 18 SER N N 9 116.148 116.148 116.938 -0.790 18221
40 1 . 1 1 18 18 SER HA H 9 3.861 3.861 4.515 -0.654 18221
41 1 . 1 1 18 18 SER CA C 9 60.081 60.081 58.256 1.826 18221
42 1 . 1 1 18 18 SER CB C 9 62.255 62.255 64.599 -2.344 18221
43 1 . 1 1 18 18 SER H H 9 8.129 8.129 8.400 -0.271 18221
44 1 . 1 1 19 19 GLY N N 10 110.747 110.747 111.153 -0.406 18221
45 1 . 1 1 19 19 GLY C C 10 174.682 174.682 175.454 -0.772 18221
46 1 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.188 1.412 18221
47 1 . 1 1 19 19 GLY H H 10 8.216 8.216 8.362 -0.146 18221
48 1 . 1 1 20 20 ARG N N 11 121.405 121.405 121.043 0.362 18221
49 1 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.119 -0.262 18221
50 1 . 1 1 20 20 ARG C C 11 178.328 178.328 178.762 -0.434 18221
51 1 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.465 0.620 18221
52 1 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.157 -1.110 18221
53 1 . 1 1 20 20 ARG H H 11 8.158 8.158 8.546 -0.388 18221
54 1 . 1 1 21 21 ALA N N 12 122.167 122.167 121.860 0.307 18221
55 1 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.053 0.047 18221
56 1 . 1 1 21 21 ALA C C 12 180.129 180.129 179.359 0.770 18221
57 1 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.660 -0.268 18221
58 1 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.967 -0.553 18221
59 1 . 1 1 21 21 ALA H H 12 7.963 7.963 8.362 -0.399 18221
60 1 . 1 1 22 22 ALA N N 13 122.150 122.150 121.591 0.559 18221
61 1 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.929 0.108 18221
62 1 . 1 1 22 22 ALA C C 13 179.095 179.095 179.737 -0.642 18221
63 1 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.981 -0.265 18221
64 1 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.025 -0.464 18221
65 1 . 1 1 22 22 ALA H H 13 7.881 7.881 8.044 -0.163 18221
66 1 . 1 1 23 23 VAL N N 14 117.107 117.107 118.592 -1.485 18221
67 1 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.569 -0.089 18221
68 1 . 1 1 23 23 VAL C C 14 177.586 177.586 178.086 -0.500 18221
69 1 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.861 0.337 18221
70 1 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.909 -0.389 18221
71 1 . 1 1 23 23 VAL H H 14 7.888 7.888 8.112 -0.224 18221
72 1 . 1 1 24 24 ALA N N 15 121.333 121.333 121.836 -0.503 18221
73 1 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.961 0.020 18221
74 1 . 1 1 24 24 ALA C C 15 180.373 180.373 179.372 1.001 18221
75 1 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.171 -0.160 18221
76 1 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.826 -0.574 18221
77 1 . 1 1 24 24 ALA H H 15 8.037 8.037 7.721 0.316 18221
78 1 . 1 1 25 25 ALA N N 16 121.158 121.158 119.585 1.573 18221
79 1 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.140 0.006 18221
80 1 . 1 1 25 25 ALA C C 16 179.828 179.828 178.903 0.925 18221
81 1 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.691 -0.240 18221
82 1 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.440 -0.953 18221
83 1 . 1 1 25 25 ALA H H 16 7.819 7.819 7.857 -0.038 18221
84 1 . 1 1 26 26 VAL N N 17 118.417 118.417 116.414 2.003 18221
85 1 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.884 -0.106 18221
86 1 . 1 1 26 26 VAL C C 17 178.020 178.020 177.035 0.985 18221
87 1 . 1 1 26 26 VAL CA C 17 65.578 65.578 64.004 1.574 18221
88 1 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.844 -0.759 18221
89 1 . 1 1 26 26 VAL H H 17 7.848 7.848 7.455 0.393 18221
90 1 . 1 1 27 27 VAL N N 18 119.240 119.240 119.090 0.150 18221
91 1 . 1 1 27 27 VAL C C 18 177.719 177.719 176.839 0.880 18221
92 1 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.175 1.816 18221
93 1 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.132 -1.945 18221
94 1 . 1 1 27 27 VAL H H 18 8.377 8.377 7.549 0.828 18221
95 1 . 1 1 28 28 GLY N N 19 106.009 106.009 107.281 -1.272 18221
96 1 . 1 1 28 28 GLY C C 19 176.212 176.212 174.356 1.856 18221
97 1 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.401 -0.157 18221
98 1 . 1 1 28 28 GLY H H 19 8.122 8.122 7.877 0.245 18221
99 1 . 1 1 29 29 GLY N N 20 110.216 110.216 112.337 -2.121 18221
100 1 . 1 1 29 29 GLY C C 20 174.097 174.097 175.116 -1.019 18221
101 1 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.666 1.668 18221
102 1 . 1 1 29 29 GLY H H 20 8.039 8.039 7.909 0.130 18221
103 1 . 1 1 30 30 VAL N N 21 121.188 121.188 121.002 0.187 18221
104 1 . 1 1 30 30 VAL C C 21 177.073 177.073 177.387 -0.314 18221
105 1 . 1 1 30 30 VAL CA C 21 62.574 62.574 65.919 -3.345 18221
106 1 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.637 -0.847 18221
107 1 . 1 1 30 30 VAL H H 21 7.983 7.983 7.940 0.043 18221
108 1 . 1 1 32 32 ALA N N 23 125.091 125.091 121.602 3.489 18221
109 1 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.060 0.200 18221
110 1 . 1 1 32 32 ALA C C 23 179.523 179.523 179.941 -0.418 18221
111 1 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.117 -1.434 18221
112 1 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.013 -1.630 18221
113 1 . 1 1 32 32 ALA H H 23 8.036 8.036 8.030 0.006 18221
114 1 . 1 1 33 33 VAL N N 24 118.793 118.793 117.413 1.380 18221
115 1 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.702 0.006 18221
116 1 . 1 1 33 33 VAL C C 24 177.901 177.901 178.224 -0.323 18221
117 1 . 1 1 33 33 VAL CA C 24 65.430 65.430 65.749 -0.319 18221
118 1 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.128 0.190 18221
119 1 . 1 1 33 33 VAL H H 24 8.195 8.195 8.121 0.074 18221
120 1 . 1 1 34 34 GLY N N 25 108.367 108.367 108.577 -0.210 18221
121 1 . 1 1 34 34 GLY C C 25 175.424 175.424 175.829 -0.405 18221
122 1 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.559 -0.225 18221
123 1 . 1 1 34 34 GLY H H 25 8.651 8.651 8.332 0.319 18221
124 1 . 1 1 35 35 THR N N 26 116.448 116.448 119.364 -2.916 18221
125 1 . 1 1 35 35 THR C C 26 176.843 176.843 176.894 -0.051 18221
126 1 . 1 1 35 35 THR CA C 26 65.962 65.962 67.102 -1.140 18221
127 1 . 1 1 35 35 THR CB C 26 68.414 68.414 68.727 -0.312 18221
128 1 . 1 1 35 35 THR H H 26 7.975 7.975 8.270 -0.295 18221
129 1 . 1 1 36 36 VAL N N 27 122.810 122.810 121.462 1.349 18221
130 1 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.620 0.099 18221
131 1 . 1 1 36 36 VAL C C 27 177.618 177.618 177.504 0.114 18221
132 1 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.543 -0.817 18221
133 1 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.504 -0.837 18221
134 1 . 1 1 36 36 VAL H H 27 7.559 7.559 8.046 -0.487 18221
135 1 . 1 1 37 37 LEU N N 28 119.566 119.566 120.545 -0.979 18221
136 1 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.928 0.025 18221
137 1 . 1 1 37 37 LEU C C 28 179.666 179.666 178.863 0.803 18221
138 1 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.349 -0.504 18221
139 1 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.651 -1.485 18221
140 1 . 1 1 37 37 LEU H H 28 8.086 8.086 7.794 0.292 18221
141 1 . 1 1 38 38 VAL N N 29 119.468 119.468 118.470 0.998 18221
142 1 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.512 0.141 18221
143 1 . 1 1 38 38 VAL C C 29 178.639 178.639 177.928 0.711 18221
144 1 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.331 -0.858 18221
145 1 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.189 -0.580 18221
146 1 . 1 1 38 38 VAL H H 29 8.066 8.066 8.343 -0.277 18221
147 1 . 1 1 39 39 ALA N N 30 124.255 124.255 122.325 1.930 18221
148 1 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.079 0.086 18221
149 1 . 1 1 39 39 ALA C C 30 180.303 180.303 179.391 0.912 18221
150 1 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.019 -0.185 18221
151 1 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.417 -0.709 18221
152 1 . 1 1 39 39 ALA H H 30 7.688 7.688 7.834 -0.146 18221
153 1 . 1 1 40 40 LEU N N 31 118.268 118.268 118.853 -0.585 18221
154 1 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.022 0.119 18221
155 1 . 1 1 40 40 LEU C C 31 179.271 179.271 178.984 0.287 18221
156 1 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.666 -0.588 18221
157 1 . 1 1 40 40 LEU CB C 31 40.902 40.902 41.649 -0.747 18221
158 1 . 1 1 40 40 LEU H H 31 8.326 8.326 8.051 0.275 18221
159 1 . 1 1 41 41 SER N N 32 114.984 114.984 114.121 0.863 18221
160 1 . 1 1 41 41 SER HA H 32 3.952 3.952 4.176 -0.224 18221
161 1 . 1 1 41 41 SER C C 32 176.284 176.284 175.671 0.613 18221
162 1 . 1 1 41 41 SER CA C 32 60.885 60.885 60.927 -0.043 18221
163 1 . 1 1 41 41 SER CB C 32 62.410 62.410 63.350 -0.940 18221
164 1 . 1 1 41 41 SER H H 32 8.062 8.062 8.215 -0.153 18221
165 1 . 1 1 42 42 ALA N N 33 124.588 124.588 123.043 1.545 18221
166 1 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.262 -0.037 18221
167 1 . 1 1 42 42 ALA C C 33 179.033 179.033 177.774 1.259 18221
168 1 . 1 1 42 42 ALA CA C 33 53.713 53.713 52.609 1.104 18221
169 1 . 1 1 42 42 ALA CB C 33 17.929 17.929 18.530 -0.601 18221
170 1 . 1 1 42 42 ALA H H 33 7.813 7.813 7.932 -0.119 18221
171 1 . 1 1 43 43 MET N N 34 116.808 116.808 117.546 -0.738 18221
172 1 . 1 1 43 43 MET HA H 34 4.285 4.285 4.337 -0.052 18221
173 1 . 1 1 43 43 MET C C 34 176.807 176.807 176.496 0.310 18221
174 1 . 1 1 43 43 MET CA C 34 56.576 56.576 56.723 -0.147 18221
175 1 . 1 1 43 43 MET CB C 34 32.435 32.435 32.430 0.005 18221
176 1 . 1 1 43 43 MET H H 34 7.691 7.691 8.088 -0.397 18221
177 1 . 1 1 44 44 GLY N N 35 107.020 107.020 106.454 0.566 18221
178 1 . 1 1 44 44 GLY C C 35 174.493 174.493 173.824 0.669 18221
179 1 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.159 -0.094 18221
180 1 . 1 1 44 44 GLY H H 35 7.793 7.793 8.135 -0.342 18221
181 1 . 1 1 45 45 PHE N N 36 120.285 120.285 119.442 0.843 18221
182 1 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.564 -0.057 18221
183 1 . 1 1 45 45 PHE C C 36 176.876 176.876 174.527 2.349 18221
184 1 . 1 1 45 45 PHE CA C 36 58.937 58.937 57.861 1.076 18221
185 1 . 1 1 45 45 PHE CB C 36 38.178 38.178 39.467 -1.288 18221
186 1 . 1 1 45 45 PHE H H 36 8.215 8.215 7.973 0.242 18221
187 1 . 1 1 46 46 THR N N 37 114.008 114.008 115.530 -1.522 18221
188 1 . 1 1 46 46 THR HA H 37 4.080 4.080 4.304 -0.224 18221
189 1 . 1 1 46 46 THR C C 37 175.751 175.751 173.940 1.811 18221
190 1 . 1 1 46 46 THR CA C 37 64.220 64.220 62.304 1.916 18221
191 1 . 1 1 46 46 THR CB C 37 68.514 68.514 69.687 -1.173 18221
192 1 . 1 1 46 46 THR H H 37 8.111 8.111 7.910 0.201 18221
193 1 . 1 1 47 47 SER N N 38 116.646 116.646 117.060 -0.414 18221
194 1 . 1 1 47 47 SER HA H 38 3.918 3.918 4.459 -0.541 18221
195 1 . 1 1 47 47 SER C C 38 176.744 176.744 174.992 1.752 18221
196 1 . 1 1 47 47 SER CA C 38 59.911 59.911 59.246 0.665 18221
197 1 . 1 1 47 47 SER CB C 38 62.624 62.624 63.467 -0.844 18221
198 1 . 1 1 47 47 SER H H 38 8.079 8.079 8.379 -0.300 18221
199 1 . 1 1 48 48 VAL N N 39 121.929 121.929 122.042 -0.113 18221
200 1 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.771 0.138 18221
201 1 . 1 1 48 48 VAL C C 39 177.033 177.033 177.498 -0.465 18221
202 1 . 1 1 48 48 VAL CA C 39 64.988 64.988 65.434 -0.446 18221
203 1 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.205 -0.538 18221
204 1 . 1 1 48 48 VAL H H 39 7.985 7.985 8.005 -0.020 18221
205 1 . 1 1 49 49 GLY N N 40 108.633 108.633 108.349 0.284 18221
206 1 . 1 1 49 49 GLY C C 40 176.038 176.038 176.377 -0.339 18221
207 1 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.598 -0.733 18221
208 1 . 1 1 49 49 GLY H H 40 8.267 8.267 8.482 -0.215 18221
209 1 . 1 1 50 50 ILE N N 41 122.466 122.466 122.434 0.032 18221
210 1 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.673 0.198 18221
211 1 . 1 1 50 50 ILE C C 41 178.363 178.363 177.811 0.552 18221
212 1 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.018 -0.503 18221
213 1 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.512 -0.274 18221
214 1 . 1 1 50 50 ILE H H 41 7.865 7.865 7.891 -0.026 18221
215 1 . 1 1 51 51 ALA N N 42 125.064 125.064 121.560 3.504 18221
216 1 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.913 0.186 18221
217 1 . 1 1 51 51 ALA C C 42 179.385 179.385 179.308 0.077 18221
218 1 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.174 -0.695 18221
219 1 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.938 -0.451 18221
220 1 . 1 1 51 51 ALA H H 42 7.930 7.930 8.113 -0.183 18221
221 1 . 1 1 52 52 ALA N N 43 120.594 120.594 120.275 0.319 18221
222 1 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.040 -0.103 18221
223 1 . 1 1 52 52 ALA C C 43 179.088 179.088 179.954 -0.865 18221
224 1 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.828 0.272 18221
225 1 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.026 -0.391 18221
226 1 . 1 1 52 52 ALA H H 43 8.639 8.639 8.170 0.469 18221
227 1 . 1 1 53 53 SER N N 44 113.012 113.012 114.994 -1.982 18221
228 1 . 1 1 53 53 SER HA H 44 3.966 3.966 4.215 -0.249 18221
229 1 . 1 1 53 53 SER C C 44 176.898 176.898 176.796 0.102 18221
230 1 . 1 1 53 53 SER CA C 44 61.139 61.139 61.696 -0.557 18221
231 1 . 1 1 53 53 SER CB C 44 62.347 62.347 62.978 -0.632 18221
232 1 . 1 1 53 53 SER H H 44 8.193 8.193 8.189 0.004 18221
233 1 . 1 1 54 54 SER N N 45 118.714 118.714 118.487 0.227 18221
234 1 . 1 1 54 54 SER HA H 45 3.975 3.975 4.150 -0.175 18221
235 1 . 1 1 54 54 SER C C 45 177.131 177.131 176.632 0.499 18221
236 1 . 1 1 54 54 SER CA C 45 61.210 61.210 62.078 -0.868 18221
237 1 . 1 1 54 54 SER CB C 45 62.255 62.255 63.004 -0.749 18221
238 1 . 1 1 54 54 SER H H 45 7.944 7.944 8.164 -0.220 18221
239 1 . 1 1 55 55 ILE N N 46 122.912 122.912 120.765 2.147 18221
240 1 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.751 0.006 18221
241 1 . 1 1 55 55 ILE C C 46 177.813 177.813 177.154 0.659 18221
242 1 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.310 -0.119 18221
243 1 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.756 -0.830 18221
244 1 . 1 1 55 55 ILE H H 46 8.028 8.028 8.191 -0.163 18221
245 1 . 1 1 56 56 ALA N N 47 122.990 122.990 121.650 1.340 18221
246 1 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.012 -0.056 18221
247 1 . 1 1 56 56 ALA C C 47 180.294 180.294 179.053 1.241 18221
248 1 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.443 -0.105 18221
249 1 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.657 -0.955 18221
250 1 . 1 1 56 56 ALA H H 47 8.333 8.333 7.765 0.568 18221
251 1 . 1 1 57 57 ALA N N 48 121.988 121.988 121.303 0.685 18221
252 1 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.089 -0.021 18221
253 1 . 1 1 57 57 ALA CA C 48 54.421 54.421 53.288 1.133 18221
254 1 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.357 -1.655 18221
255 1 . 1 1 57 57 ALA H H 48 7.879 7.879 7.909 -0.030 18221
256 1 . 1 1 58 58 LYS N N 49 119.094 119.094 116.145 2.949 18221
257 1 . 1 1 58 58 LYS HA H 49 4.146 4.146 4.062 0.084 18221
258 1 . 1 1 58 58 LYS C C 49 179.649 179.649 175.812 3.837 18221
259 1 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.992 0.165 18221
260 1 . 1 1 58 58 LYS CB C 49 31.330 31.330 32.020 -0.690 18221
261 1 . 1 1 58 58 LYS H H 49 7.727 7.727 8.143 -0.416 18221
262 1 . 1 1 59 59 MET N N 50 120.498 120.498 119.861 0.636 18221
263 1 . 1 1 59 59 MET HA H 50 4.156 4.156 4.420 -0.264 18221
264 1 . 1 1 59 59 MET C C 50 177.949 177.949 175.543 2.406 18221
265 1 . 1 1 59 59 MET CA C 50 57.136 57.136 56.026 1.110 18221
266 1 . 1 1 59 59 MET CB C 50 31.922 31.922 33.164 -1.242 18221
267 1 . 1 1 59 59 MET H H 50 8.395 8.395 8.344 0.051 18221
268 1 . 1 1 60 60 MET N N 51 117.689 117.689 121.708 -4.019 18221
269 1 . 1 1 60 60 MET HA H 51 4.222 4.222 4.454 -0.232 18221
270 1 . 1 1 60 60 MET C C 51 177.674 177.674 175.430 2.244 18221
271 1 . 1 1 60 60 MET CA C 51 57.638 57.638 55.882 1.756 18221
272 1 . 1 1 60 60 MET CB C 51 31.785 31.785 32.961 -1.176 18221
273 1 . 1 1 60 60 MET H H 51 8.234 8.234 8.305 -0.071 18221
274 1 . 1 1 61 61 SER N N 52 114.385 114.385 117.032 -2.647 18221
275 1 . 1 1 61 61 SER HA H 52 4.001 4.001 4.518 -0.517 18221
276 1 . 1 1 61 61 SER C C 52 176.079 176.079 174.104 1.975 18221
277 1 . 1 1 61 61 SER CA C 52 59.911 59.911 58.778 1.133 18221
278 1 . 1 1 61 61 SER CB C 52 62.624 62.624 63.856 -1.231 18221
279 1 . 1 1 61 61 SER H H 52 7.893 7.893 8.366 -0.473 18221
280 1 . 1 1 62 62 THR N N 53 117.304 117.304 117.274 0.030 18221
281 1 . 1 1 62 62 THR HA H 53 4.104 4.104 4.383 -0.279 18221
282 1 . 1 1 62 62 THR C C 53 175.436 175.436 173.857 1.579 18221
283 1 . 1 1 62 62 THR CA C 53 64.220 64.220 62.549 1.672 18221
284 1 . 1 1 62 62 THR CB C 53 68.514 68.514 69.383 -0.869 18221
285 1 . 1 1 62 62 THR H H 53 7.794 7.794 8.175 -0.381 18221
286 1 . 1 1 63 63 ALA N N 54 125.382 125.382 126.419 -1.037 18221
287 1 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.290 -0.196 18221
288 1 . 1 1 63 63 ALA C C 54 178.328 178.328 176.290 2.038 18221
289 1 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.624 1.472 18221
290 1 . 1 1 63 63 ALA CB C 54 17.708 17.708 19.195 -1.487 18221
291 1 . 1 1 63 63 ALA H H 54 8.204 8.204 8.242 -0.038 18221
292 1 . 1 1 64 64 ALA N N 55 119.929 119.929 123.173 -3.244 18221
293 1 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.415 -0.290 18221
294 1 . 1 1 64 64 ALA C C 55 179.183 179.183 176.848 2.335 18221
295 1 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.106 1.931 18221
296 1 . 1 1 64 64 ALA CB C 55 17.708 17.708 19.364 -1.656 18221
297 1 . 1 1 64 64 ALA H H 55 7.951 7.951 8.139 -0.188 18221
298 1 . 1 1 65 65 ILE N N 56 117.016 117.016 120.101 -3.085 18221
299 1 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.152 -0.202 18221
300 1 . 1 1 65 65 ILE C C 56 177.222 177.222 175.484 1.738 18221
301 1 . 1 1 65 65 ILE CA C 56 62.184 62.184 61.575 0.609 18221
302 1 . 1 1 65 65 ILE CB C 56 37.073 37.073 37.965 -0.892 18221
303 1 . 1 1 65 65 ILE H H 56 7.561 7.561 8.322 -0.761 18221
304 1 . 1 1 66 66 ALA N N 57 124.191 124.191 126.398 -2.207 18221
305 1 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.272 -0.095 18221
306 1 . 1 1 66 66 ALA C C 57 178.190 178.190 176.353 1.837 18221
307 1 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.333 1.203 18221
308 1 . 1 1 66 66 ALA CB C 57 17.929 17.929 18.986 -1.057 18221
309 1 . 1 1 66 66 ALA H H 57 7.982 7.982 8.149 -0.167 18221
310 1 . 1 1 67 67 ASN N N 58 116.132 116.132 119.107 -2.975 18221
311 1 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.630 0.043 18221
312 1 . 1 1 67 67 ASN C C 58 176.344 176.344 175.325 1.019 18221
313 1 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.457 0.020 18221
314 1 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.929 -0.457 18221
315 1 . 1 1 67 67 ASN H H 58 8.113 8.113 8.385 -0.272 18221
316 1 . 1 1 68 68 GLY N N 59 108.808 108.808 110.385 -1.577 18221
317 1 . 1 1 68 68 GLY C C 59 174.958 174.958 173.917 1.041 18221
318 1 . 1 1 68 68 GLY CA C 59 45.655 45.655 45.200 0.455 18221
319 1 . 1 1 68 68 GLY H H 59 8.152 8.152 8.362 -0.210 18221
320 1 . 1 1 69 69 GLY N N 60 108.832 108.832 109.530 -0.698 18221
321 1 . 1 1 69 69 GLY C C 60 174.631 174.631 174.452 0.179 18221
322 1 . 1 1 69 69 GLY CA C 60 45.419 45.419 45.028 0.391 18221
323 1 . 1 1 69 69 GLY H H 60 8.218 8.218 8.241 -0.023 18221
324 1 . 1 1 70 70 GLY N N 61 108.966 108.966 109.822 -0.856 18221
325 1 . 1 1 70 70 GLY C C 61 174.594 174.594 174.108 0.486 18221
326 1 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.879 0.481 18221
327 1 . 1 1 70 70 GLY H H 61 8.175 8.175 7.982 0.193 18221
328 1 . 1 1 71 71 VAL N N 62 120.209 120.209 119.875 0.334 18221
329 1 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.939 0.067 18221
330 1 . 1 1 71 71 VAL C C 62 176.077 176.077 176.438 -0.361 18221
331 1 . 1 1 71 71 VAL CA C 62 62.390 62.390 63.083 -0.694 18221
332 1 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.165 -0.467 18221
333 1 . 1 1 71 71 VAL H H 62 7.882 7.882 8.249 -0.367 18221
334 1 . 1 1 72 72 ALA N N 63 126.966 126.966 124.054 2.912 18221
335 1 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.232 -0.206 18221
336 1 . 1 1 72 72 ALA C C 63 178.064 178.064 176.440 1.624 18221
337 1 . 1 1 72 72 ALA CA C 63 52.503 52.503 52.938 -0.435 18221
338 1 . 1 1 72 72 ALA CB C 63 18.225 18.225 18.544 -0.319 18221
339 1 . 1 1 72 72 ALA H H 63 8.237 8.237 8.164 0.073 18221
340 1 . 1 1 73 73 ALA N N 64 123.432 123.432 122.348 1.084 18221
341 1 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.374 -0.359 18221
342 1 . 1 1 73 73 ALA C C 64 178.995 178.995 176.798 2.197 18221
343 1 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.352 2.069 18221
344 1 . 1 1 73 73 ALA CB C 64 18.003 18.003 19.709 -1.707 18221
345 1 . 1 1 73 73 ALA H H 64 8.421 8.421 8.112 0.309 18221
346 1 . 1 1 74 74 GLY N N 65 105.577 105.577 108.288 -2.711 18221
347 1 . 1 1 74 74 GLY C C 65 176.367 176.367 175.216 1.151 18221
348 1 . 1 1 74 74 GLY CA C 65 46.244 46.244 45.002 1.242 18221
349 1 . 1 1 74 74 GLY H H 65 8.448 8.448 7.936 0.512 18221
350 1 . 1 1 75 75 SER N N 66 117.656 117.656 117.182 0.474 18221
351 1 . 1 1 75 75 SER HA H 66 4.394 4.394 4.210 0.184 18221
352 1 . 1 1 75 75 SER C C 66 176.329 176.329 176.661 -0.332 18221
353 1 . 1 1 75 75 SER CA C 66 60.236 60.236 60.938 -0.702 18221
354 1 . 1 1 75 75 SER CB C 66 62.476 62.476 63.028 -0.552 18221
355 1 . 1 1 75 75 SER H H 66 7.899 7.899 8.501 -0.602 18221
356 1 . 1 1 76 76 LEU N N 67 122.743 122.743 121.687 1.056 18221
357 1 . 1 1 76 76 LEU HA H 67 4.050 4.050 4.000 0.050 18221
358 1 . 1 1 76 76 LEU C C 67 178.442 178.442 178.438 0.004 18221
359 1 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.776 -0.256 18221
360 1 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.584 -0.903 18221
361 1 . 1 1 76 76 LEU H H 67 7.955 7.955 8.095 -0.140 18221
362 1 . 1 1 77 77 VAL N N 68 118.400 118.400 118.385 0.015 18221
363 1 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.517 -0.046 18221
364 1 . 1 1 77 77 VAL C C 68 177.297 177.297 177.496 -0.199 18221
365 1 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.333 0.337 18221
366 1 . 1 1 77 77 VAL CB C 68 30.520 30.520 30.940 -0.420 18221
367 1 . 1 1 77 77 VAL H H 68 8.039 8.039 8.141 -0.102 18221
368 1 . 1 1 78 78 ALA N N 69 121.927 121.927 122.140 -0.213 18221
369 1 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.044 0.161 18221
370 1 . 1 1 78 78 ALA C C 69 181.258 181.258 179.572 1.686 18221
371 1 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.273 -0.291 18221
372 1 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.076 -0.662 18221
373 1 . 1 1 78 78 ALA H H 69 7.631 7.631 7.947 -0.316 18221
374 1 . 1 1 79 79 ILE N N 70 119.782 119.782 118.837 0.945 18221
375 1 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.774 0.022 18221
376 1 . 1 1 79 79 ILE C C 70 178.253 178.253 177.875 0.378 18221
377 1 . 1 1 79 79 ILE CA C 70 64.352 64.352 64.183 0.169 18221
378 1 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.694 -0.621 18221
379 1 . 1 1 79 79 ILE H H 70 7.841 7.841 7.467 0.374 18221
380 1 . 1 1 80 80 LEU N N 71 120.841 120.841 121.000 -0.159 18221
381 1 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.805 0.132 18221
382 1 . 1 1 80 80 LEU C C 71 179.234 179.234 178.728 0.506 18221
383 1 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.473 -0.628 18221
384 1 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.569 -1.549 18221
385 1 . 1 1 80 80 LEU H H 71 8.190 8.190 8.320 -0.130 18221
386 1 . 1 1 81 81 GLN N N 72 117.558 117.558 117.670 -0.112 18221
387 1 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.929 0.041 18221
388 1 . 1 1 81 81 GLN C C 72 178.530 178.530 178.675 -0.145 18221
389 1 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.150 -0.331 18221
390 1 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.546 -1.266 18221
391 1 . 1 1 81 81 GLN H H 72 8.489 8.489 8.308 0.181 18221
392 1 . 1 1 82 82 SER N N 73 116.103 116.103 115.681 0.422 18221
393 1 . 1 1 82 82 SER HA H 73 4.233 4.233 4.156 0.077 18221
394 1 . 1 1 82 82 SER C C 73 177.243 177.243 176.791 0.452 18221
395 1 . 1 1 82 82 SER CA C 73 61.044 61.044 61.853 -0.808 18221
396 1 . 1 1 82 82 SER CB C 73 62.257 62.257 63.076 -0.819 18221
397 1 . 1 1 82 82 SER H H 73 7.855 7.855 8.086 -0.231 18221
398 1 . 1 1 83 83 VAL N N 74 120.362 120.362 120.953 -0.591 18221
399 1 . 1 1 83 83 VAL C C 74 177.979 177.979 177.669 0.310 18221
400 1 . 1 1 83 83 VAL CA C 74 65.106 65.106 65.876 -0.770 18221
401 1 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.350 -0.609 18221
402 1 . 1 1 83 83 VAL H H 74 8.030 8.030 8.165 -0.135 18221
403 1 . 1 1 84 84 GLY N N 75 108.223 108.223 106.993 1.230 18221
404 1 . 1 1 84 84 GLY C C 75 174.913 174.913 175.513 -0.600 18221
405 1 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.035 -0.258 18221
406 1 . 1 1 84 84 GLY H H 75 8.369 8.369 7.867 0.502 18221
407 1 . 1 1 85 85 ALA N N 76 123.550 123.550 124.520 -0.970 18221
408 1 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.069 0.025 18221
409 1 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.908 -0.310 18221
410 1 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.317 -0.694 18221
411 1 . 1 1 85 85 ALA H H 76 8.115 8.115 8.162 -0.047 18221
412 1 . 1 1 86 86 ALA N N 77 120.410 120.410 121.065 -0.655 18221
413 1 . 1 1 86 86 ALA C C 77 178.988 178.988 179.595 -0.607 18221
414 1 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.293 -0.457 18221
415 1 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.990 -0.480 18221
416 1 . 1 1 86 86 ALA H H 77 8.632 8.632 8.320 0.312 18221
417 1 . 1 1 87 87 GLY N N 78 105.706 105.706 107.302 -1.596 18221
418 1 . 1 1 87 87 GLY C C 78 175.939 175.939 176.090 -0.151 18221
419 1 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.957 -0.839 18221
420 1 . 1 1 87 87 GLY H H 78 8.196 8.196 7.903 0.293 18221
421 1 . 1 1 88 88 LEU N N 79 124.128 124.128 121.826 2.302 18221
422 1 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.637 -0.235 18221
423 1 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.695 -1.308 18221
424 1 . 1 1 88 88 LEU H H 79 8.449 8.449 8.084 0.366 18221
425 1 . 1 1 89 89 SER N N 80 116.251 116.251 115.089 1.162 18221
426 1 . 1 1 89 89 SER C C 80 179.153 179.153 176.541 2.612 18221
427 1 . 1 1 89 89 SER CA C 80 61.023 61.023 62.096 -1.073 18221
428 1 . 1 1 89 89 SER CB C 80 62.255 62.255 62.938 -0.683 18221
429 1 . 1 1 89 89 SER H H 80 8.120 8.120 8.239 -0.119 18221
430 1 . 1 1 90 90 VAL N N 81 119.310 119.310 121.319 -2.009 18221
431 1 . 1 1 90 90 VAL C C 81 177.652 177.652 177.952 -0.300 18221
432 1 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.791 -0.716 18221
433 1 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.429 -0.099 18221
434 1 . 1 1 90 90 VAL H H 81 7.955 7.955 8.160 -0.205 18221
435 1 . 1 1 91 91 THR N N 82 115.535 115.535 116.617 -1.082 18221
436 1 . 1 1 91 91 THR C C 82 176.571 176.571 176.672 -0.101 18221
437 1 . 1 1 91 91 THR CA C 82 66.434 66.434 67.127 -0.693 18221
438 1 . 1 1 91 91 THR CB C 82 67.742 67.742 68.508 -0.766 18221
439 1 . 1 1 91 91 THR H H 82 7.888 7.888 8.448 -0.560 18221
440 1 . 1 1 92 92 SER N N 83 116.537 116.537 117.739 -1.202 18221
441 1 . 1 1 92 92 SER HA H 83 4.040 4.040 3.990 0.050 18221
442 1 . 1 1 92 92 SER C C 83 176.761 176.761 176.510 0.251 18221
443 1 . 1 1 92 92 SER CA C 83 61.564 61.564 61.933 -0.369 18221
444 1 . 1 1 92 92 SER CB C 83 62.009 62.009 62.860 -0.851 18221
445 1 . 1 1 92 92 SER H H 83 8.212 8.212 8.088 0.124 18221
446 1 . 1 1 93 93 LYS N N 84 122.353 122.353 121.234 1.119 18221
447 1 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.991 0.128 18221
448 1 . 1 1 93 93 LYS C C 84 172.812 172.812 179.116 -6.304 18221
449 1 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.470 -1.035 18221
450 1 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.457 -0.980 18221
451 1 . 1 1 93 93 LYS H H 84 7.642 7.642 8.209 -0.567 18221
452 1 . 1 1 94 94 VAL N N 85 119.348 119.348 118.178 1.170 18221
453 1 . 1 1 94 94 VAL C C 85 177.948 177.948 177.293 0.655 18221
454 1 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.308 0.081 18221
455 1 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.742 0.104 18221
456 1 . 1 1 94 94 VAL H H 85 8.414 8.414 7.755 0.659 18221
457 1 . 1 1 95 95 ILE N N 86 118.769 118.769 117.388 1.381 18221
458 1 . 1 1 95 95 ILE C C 86 177.972 177.972 176.468 1.504 18221
459 1 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.324 0.513 18221
460 1 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.685 -2.053 18221
461 1 . 1 1 95 95 ILE H H 86 8.169 8.169 7.715 0.454 18221
462 1 . 1 1 96 96 GLY N N 87 107.955 107.955 105.153 2.802 18221
463 1 . 1 1 96 96 GLY C C 87 176.571 176.571 174.131 2.440 18221
464 1 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.762 1.749 18221
465 1 . 1 1 96 96 GLY H H 87 8.182 8.182 8.276 -0.094 18221
466 1 . 1 1 97 97 GLY N N 88 109.117 109.117 110.030 -0.912 18221
467 1 . 1 1 97 97 GLY C C 88 175.524 175.524 174.295 1.229 18221
468 1 . 1 1 97 97 GLY CA C 88 45.832 45.832 45.824 0.008 18221
469 1 . 1 1 97 97 GLY H H 88 7.953 7.953 8.161 -0.208 18221
470 1 . 1 1 98 98 PHE N N 89 121.100 121.100 120.257 0.843 18221
471 1 . 1 1 98 98 PHE C C 89 176.367 176.367 174.614 1.752 18221
472 1 . 1 1 98 98 PHE CA C 89 56.900 56.900 58.037 -1.137 18221
473 1 . 1 1 98 98 PHE CB C 89 38.832 38.832 39.251 -0.419 18221
474 1 . 1 1 98 98 PHE H H 89 8.000 8.000 8.146 -0.146 18221
475 1 . 1 1 99 99 ALA N N 90 122.834 122.834 125.931 -3.097 18221
476 1 . 1 1 99 99 ALA C C 90 178.348 178.348 176.626 1.722 18221
477 1 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.058 3.219 18221
478 1 . 1 1 99 99 ALA CB C 90 17.414 17.414 19.621 -2.207 18221
479 1 . 1 1 99 99 ALA H H 90 8.322 8.322 8.150 0.173 18221
480 1 . 1 1 100 100 GLY N N 91 106.688 106.688 109.575 -2.887 18221
481 1 . 1 1 100 100 GLY C C 91 175.878 175.878 174.428 1.450 18221
482 1 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.592 0.034 18221
483 1 . 1 1 100 100 GLY H H 91 8.000 8.000 8.327 -0.327 18221
484 1 . 1 1 101 101 THR N N 92 115.689 115.689 116.341 -0.652 18221
485 1 . 1 1 101 101 THR C C 92 178.476 178.476 173.662 4.814 18221
486 1 . 1 1 101 101 THR CA C 92 63.364 63.364 62.646 0.718 18221
487 1 . 1 1 101 101 THR CB C 92 69.619 69.619 68.849 0.770 18221
488 1 . 1 1 101 101 THR H H 92 7.754 7.754 8.118 -0.364 18221
489 1 . 1 1 102 102 ALA N N 93 124.835 124.835 126.037 -1.202 18221
490 1 . 1 1 102 102 ALA CA C 93 54.311 54.311 52.005 2.306 18221
491 1 . 1 1 102 102 ALA CB C 93 17.679 17.679 19.674 -1.995 18221
492 1 . 1 1 102 102 ALA H H 93 7.919 7.919 8.047 -0.128 18221
493 1 . 1 1 103 103 LEU N N 94 117.445 117.445 120.480 -3.035 18221
494 1 . 1 1 103 103 LEU CA C 94 56.782 56.782 55.347 1.435 18221
495 1 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.901 -0.999 18221
496 1 . 1 1 103 103 LEU H H 94 8.037 8.037 8.316 -0.279 18221
497 1 . 1 1 104 104 GLY N N 95 106.296 106.296 109.916 -3.620 18221
498 1 . 1 1 104 104 GLY C C 95 175.851 175.851 173.712 2.139 18221
499 1 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.686 1.884 18221
500 1 . 1 1 104 104 GLY H H 95 7.900 7.900 8.124 -0.224 18221
501 1 . 1 1 105 105 ALA N N 96 123.872 123.872 123.496 0.376 18221
502 1 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.044 2.082 18221
503 1 . 1 1 105 105 ALA CB C 96 17.587 17.587 18.802 -1.215 18221
504 1 . 1 1 105 105 ALA H H 96 7.804 7.804 8.156 -0.352 18221
505 1 . 1 1 106 106 TRP N N 97 120.348 120.348 121.287 -0.939 18221
506 1 . 1 1 106 106 TRP C C 97 176.857 176.857 175.382 1.475 18221
507 1 . 1 1 106 106 TRP CA C 97 56.900 56.900 56.848 0.053 18221
508 1 . 1 1 106 106 TRP H H 97 8.385 8.385 8.070 0.315 18221
509 1 . 1 1 107 107 LEU N N 98 117.756 117.756 123.836 -6.080 18221
510 1 . 1 1 107 107 LEU C C 98 177.659 177.659 176.274 1.385 18221
511 1 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.325 -0.222 18221
512 1 . 1 1 107 107 LEU CB C 98 41.418 41.418 42.285 -0.867 18221
513 1 . 1 1 107 107 LEU H H 98 7.880 7.880 8.249 -0.369 18221
514 1 . 1 1 108 108 GLY N N 99 107.285 107.285 109.589 -2.304 18221
515 1 . 1 1 108 108 GLY C C 99 173.815 173.815 173.647 0.169 18221
516 1 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.900 0.047 18221
517 1 . 1 1 108 108 GLY H H 99 7.694 7.694 8.163 -0.469 18221
518 1 . 1 1 109 109 SER N N 100 117.139 117.139 117.662 -0.522 18221
519 1 . 1 1 109 109 SER C C 100 172.179 172.179 172.911 -0.732 18221
520 1 . 1 1 109 109 SER CA C 100 56.015 56.015 57.060 -1.045 18221
521 1 . 1 1 109 109 SER CB C 100 62.771 62.771 63.765 -0.994 18221
522 1 . 1 1 109 109 SER H H 100 8.030 8.030 8.256 -0.226 18221
523 1 . 1 1 111 111 PRO C C 102 177.073 177.073 176.379 0.694 18221
524 1 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.007 -0.808 18221
525 1 . 1 1 111 111 PRO CB C 102 31.211 31.211 31.386 -0.175 18221
526 1 . 1 1 112 112 SER N N 103 117.115 117.115 117.109 0.006 18221
527 1 . 1 1 112 112 SER C C 103 173.898 173.898 174.136 -0.238 18221
528 1 . 1 1 112 112 SER CA C 103 57.904 57.904 58.467 -0.563 18221
529 1 . 1 1 112 112 SER CB C 103 63.360 63.360 63.850 -0.490 18221
530 1 . 1 1 112 112 SER H H 103 8.345 8.345 8.373 -0.028 18221
stop_
save_