data_18220
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18220
_Entry.PDB_ID 2LOP
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 18220
_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 ASP N N 2 120.536 120.536 122.076 -1.540 18220
2 1 1 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.564 1.354 18220
3 1 1 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.583 -3.624 18220
4 1 1 . 1 1 11 11 ASP H H 2 7.863 7.863 8.394 -0.531 18220
5 1 1 . 1 1 12 12 LEU N N 3 121.414 121.414 124.557 -3.143 18220
6 1 1 . 1 1 12 12 LEU C C 3 176.162 176.162 176.611 -0.449 18220
7 1 1 . 1 1 12 12 LEU CA C 3 57.600 57.600 54.795 2.805 18220
8 1 1 . 1 1 12 12 LEU CB C 3 41.657 41.657 41.358 0.298 18220
9 1 1 . 1 1 12 12 LEU H H 3 8.285 8.285 8.351 -0.066 18220
10 1 1 . 1 1 13 13 ILE N N 4 118.854 118.854 120.170 -1.316 18220
11 1 1 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.646 -0.906 18220
12 1 1 . 1 1 13 13 ILE C C 4 175.228 175.228 176.198 -0.970 18220
13 1 1 . 1 1 13 13 ILE CA C 4 64.500 64.500 59.515 4.985 18220
14 1 1 . 1 1 13 13 ILE CB C 4 37.102 37.102 39.883 -2.781 18220
15 1 1 . 1 1 13 13 ILE H H 4 8.031 8.031 7.749 0.282 18220
16 1 1 . 1 1 14 14 GLY N N 5 107.478 107.478 108.156 -0.678 18220
17 1 1 . 1 1 14 14 GLY C C 5 174.424 174.424 174.874 -0.450 18220
18 1 1 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.221 1.838 18220
19 1 1 . 1 1 14 14 GLY H H 5 8.148 8.148 8.275 -0.127 18220
20 1 1 . 1 1 15 15 PHE N N 6 122.774 122.774 126.501 -3.727 18220
21 1 1 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.431 0.049 18220
22 1 1 . 1 1 15 15 PHE C C 6 175.113 175.113 176.889 -1.776 18220
23 1 1 . 1 1 15 15 PHE CA C 6 60.017 60.017 60.200 -0.183 18220
24 1 1 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.717 -0.943 18220
25 1 1 . 1 1 15 15 PHE H H 6 8.194 8.194 8.620 -0.426 18220
26 1 1 . 1 1 16 16 GLY N N 7 107.938 107.938 108.025 -0.087 18220
27 1 1 . 1 1 16 16 GLY C C 7 171.838 171.838 175.754 -3.916 18220
28 1 1 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.496 -0.396 18220
29 1 1 . 1 1 16 16 GLY H H 7 8.697 8.697 8.672 0.025 18220
30 1 1 . 1 1 17 17 TYR N N 8 121.785 121.785 122.388 -0.603 18220
31 1 1 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.058 0.092 18220
32 1 1 . 1 1 17 17 TYR C C 8 174.180 174.180 177.880 -3.700 18220
33 1 1 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.581 0.719 18220
34 1 1 . 1 1 17 17 TYR CB C 8 37.959 37.959 37.952 0.007 18220
35 1 1 . 1 1 17 17 TYR H H 8 8.710 8.710 8.355 0.355 18220
36 1 1 . 1 1 18 18 ALA N N 9 120.233 120.233 120.294 -0.061 18220
37 1 1 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.864 0.086 18220
38 1 1 . 1 1 18 18 ALA C C 9 178.059 178.059 178.844 -0.785 18220
39 1 1 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.951 -0.079 18220
40 1 1 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.646 -0.084 18220
41 1 1 . 1 1 18 18 ALA H H 9 7.843 7.843 8.129 -0.286 18220
42 1 1 . 1 1 19 19 ALA N N 10 121.797 121.797 121.295 0.502 18220
43 1 1 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.996 -0.046 18220
44 1 1 . 1 1 19 19 ALA C C 10 176.191 176.191 179.541 -3.350 18220
45 1 1 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.364 0.236 18220
46 1 1 . 1 1 19 19 ALA CB C 10 17.562 17.562 17.771 -0.209 18220
47 1 1 . 1 1 19 19 ALA H H 10 8.212 8.212 7.315 0.897 18220
48 1 1 . 1 1 20 20 LEU N N 11 119.442 119.442 121.105 -1.663 18220
49 1 1 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.001 -0.064 18220
50 1 1 . 1 1 20 20 LEU C C 11 176.694 176.694 178.808 -2.114 18220
51 1 1 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.702 0.098 18220
52 1 1 . 1 1 20 20 LEU CB C 11 41.222 41.222 40.780 0.442 18220
53 1 1 . 1 1 20 20 LEU H H 11 8.065 8.065 7.837 0.228 18220
54 1 1 . 1 1 21 21 VAL N N 12 118.323 118.323 119.361 -1.038 18220
55 1 1 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.586 0.054 18220
56 1 1 . 1 1 21 21 VAL C C 12 176.536 176.536 178.547 -2.011 18220
57 1 1 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.692 -1.292 18220
58 1 1 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.136 -0.000 18220
59 1 1 . 1 1 21 21 VAL H H 12 8.051 8.051 8.324 -0.273 18220
60 1 1 . 1 1 22 22 THR N N 13 118.298 118.298 118.007 0.291 18220
61 1 1 . 1 1 22 22 THR HA H 13 4.660 4.660 4.088 0.572 18220
62 1 1 . 1 1 22 22 THR C C 13 173.734 173.734 176.923 -3.189 18220
63 1 1 . 1 1 22 22 THR CA C 13 66.300 66.300 67.279 -0.979 18220
64 1 1 . 1 1 22 22 THR CB C 13 67.775 67.775 68.541 -0.766 18220
65 1 1 . 1 1 22 22 THR H H 13 7.944 7.944 8.091 -0.147 18220
66 1 1 . 1 1 23 23 PHE N N 14 121.328 121.328 121.074 0.254 18220
67 1 1 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.115 0.225 18220
68 1 1 . 1 1 23 23 PHE C C 14 174.783 174.783 177.865 -3.082 18220
69 1 1 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.541 -1.040 18220
70 1 1 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.391 0.235 18220
71 1 1 . 1 1 23 23 PHE H H 14 8.567 8.567 8.395 0.172 18220
72 1 1 . 1 1 24 24 GLY N N 15 106.871 106.871 106.176 0.695 18220
73 1 1 . 1 1 24 24 GLY C C 15 172.858 172.858 176.195 -3.337 18220
74 1 1 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.356 -0.456 18220
75 1 1 . 1 1 24 24 GLY H H 15 8.475 8.475 8.648 -0.173 18220
76 1 1 . 1 1 25 25 SER N N 16 116.214 116.214 118.874 -2.660 18220
77 1 1 . 1 1 25 25 SER HA H 16 4.280 4.280 3.998 0.282 18220
78 1 1 . 1 1 25 25 SER CA C 16 60.300 60.300 61.649 -1.349 18220
79 1 1 . 1 1 25 25 SER CB C 16 62.879 62.879 62.534 0.345 18220
80 1 1 . 1 1 25 25 SER H H 16 7.963 7.963 8.319 -0.356 18220
81 1 1 . 1 1 26 26 ILE N N 17 121.024 121.024 122.326 -1.302 18220
82 1 1 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.406 0.540 18220
83 1 1 . 1 1 26 26 ILE C C 17 173.935 173.935 178.400 -4.465 18220
84 1 1 . 1 1 26 26 ILE CA C 17 63.100 63.100 63.827 -0.727 18220
85 1 1 . 1 1 26 26 ILE CB C 17 38.107 38.107 36.639 1.468 18220
86 1 1 . 1 1 26 26 ILE H H 17 7.676 7.676 8.248 -0.572 18220
87 1 1 . 1 1 27 27 PHE N N 18 117.142 117.142 120.241 -3.099 18220
88 1 1 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.094 0.336 18220
89 1 1 . 1 1 27 27 PHE C C 18 173.504 173.504 177.238 -3.734 18220
90 1 1 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.959 -2.459 18220
91 1 1 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.842 -0.068 18220
92 1 1 . 1 1 27 27 PHE H H 18 7.703 7.703 8.259 -0.556 18220
93 1 1 . 1 1 28 28 GLY N N 19 107.303 107.303 104.937 2.366 18220
94 1 1 . 1 1 28 28 GLY C C 19 171.593 171.593 174.257 -2.664 18220
95 1 1 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.050 0.550 18220
96 1 1 . 1 1 28 28 GLY H H 19 7.722 7.722 7.517 0.205 18220
97 1 1 . 1 1 29 29 TYR N N 20 119.862 119.862 119.489 0.373 18220
98 1 1 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.125 0.267 18220
99 1 1 . 1 1 29 29 TYR C C 20 173.174 173.174 175.030 -1.856 18220
100 1 1 . 1 1 29 29 TYR CA C 20 58.500 58.500 59.560 -1.060 18220
101 1 1 . 1 1 29 29 TYR CB C 20 38.404 38.404 36.903 1.501 18220
102 1 1 . 1 1 29 29 TYR H H 20 7.880 7.880 7.524 0.356 18220
103 1 1 . 1 1 30 30 LYS N N 21 122.335 122.335 120.521 1.814 18220
104 1 1 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.512 -0.122 18220
105 1 1 . 1 1 30 30 LYS C C 21 173.547 173.547 175.050 -1.503 18220
106 1 1 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.123 -0.323 18220
107 1 1 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.887 -0.491 18220
108 1 1 . 1 1 30 30 LYS H H 21 7.934 7.934 8.214 -0.280 18220
109 1 1 . 1 1 31 31 ARG N N 22 120.612 120.612 121.528 -0.916 18220
110 1 1 . 1 1 31 31 ARG C C 22 173.547 173.547 175.961 -2.414 18220
111 1 1 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.919 -1.085 18220
112 1 1 . 1 1 31 31 ARG CB C 22 30.101 30.101 31.146 -1.046 18220
113 1 1 . 1 1 31 31 ARG H H 22 7.905 7.905 8.373 -0.468 18220
114 1 1 . 1 1 32 32 ARG N N 23 121.748 121.748 120.533 1.215 18220
115 1 1 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.194 0.116 18220
116 1 1 . 1 1 32 32 ARG C C 23 173.863 173.863 176.037 -2.174 18220
117 1 1 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.858 -1.058 18220
118 1 1 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.460 -0.215 18220
119 1 1 . 1 1 32 32 ARG H H 23 8.175 8.175 8.191 -0.016 18220
120 1 1 . 1 1 33 33 GLY N N 24 109.528 109.528 106.773 2.755 18220
121 1 1 . 1 1 33 33 GLY C C 24 171.752 171.752 173.653 -1.901 18220
122 1 1 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.276 0.624 18220
123 1 1 . 1 1 33 33 GLY H H 24 8.264 8.264 8.418 -0.154 18220
124 1 1 . 1 1 34 34 GLY N N 25 108.563 108.563 108.395 0.168 18220
125 1 1 . 1 1 34 34 GLY C C 25 171.701 171.701 175.074 -3.373 18220
126 1 1 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.926 -0.326 18220
127 1 1 . 1 1 34 34 GLY H H 25 8.208 8.208 8.048 0.160 18220
128 1 1 . 1 1 35 35 VAL N N 26 121.164 121.164 121.770 -0.606 18220
129 1 1 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.890 0.120 18220
130 1 1 . 1 1 35 35 VAL C C 26 175.888 175.888 174.438 1.450 18220
131 1 1 . 1 1 35 35 VAL CA C 26 63.900 63.900 61.891 2.009 18220
132 1 1 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.916 -1.226 18220
133 1 1 . 1 1 35 35 VAL H H 26 8.485 8.485 8.085 0.400 18220
134 1 1 . 1 1 36 36 PRO C C 27 177.660 177.660 177.048 0.612 18220
135 1 1 . 1 1 36 36 PRO CA C 27 61.847 61.847 64.135 -2.288 18220
136 1 1 . 1 1 37 37 SER N N 28 116.023 116.023 108.695 7.328 18220
137 1 1 . 1 1 37 37 SER HA H 28 4.280 4.280 4.431 -0.151 18220
138 1 1 . 1 1 37 37 SER CA C 28 61.100 61.100 59.035 2.065 18220
139 1 1 . 1 1 37 37 SER H H 28 7.948 7.948 7.802 0.146 18220
140 1 1 . 1 1 38 38 LEU N N 29 124.029 124.029 123.535 0.494 18220
141 1 1 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.039 0.131 18220
142 1 1 . 1 1 38 38 LEU C C 29 176.132 176.132 178.882 -2.750 18220
143 1 1 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.074 -0.574 18220
144 1 1 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.621 0.417 18220
145 1 1 . 1 1 38 38 LEU H H 29 8.201 8.201 8.203 -0.002 18220
146 1 1 . 1 1 39 39 ILE N N 30 117.098 117.098 119.223 -2.125 18220
147 1 1 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.676 0.694 18220
148 1 1 . 1 1 39 39 ILE C C 30 176.478 176.478 177.273 -0.795 18220
149 1 1 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.500 -1.421 18220
150 1 1 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.774 -0.801 18220
151 1 1 . 1 1 39 39 ILE H H 30 7.662 7.662 8.004 -0.342 18220
152 1 1 . 1 1 40 40 ALA N N 31 122.447 122.447 121.139 1.308 18220
153 1 1 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.211 -0.177 18220
154 1 1 . 1 1 40 40 ALA C C 31 177.067 177.067 179.757 -2.690 18220
155 1 1 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.516 0.446 18220
156 1 1 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.604 0.252 18220
157 1 1 . 1 1 40 40 ALA H H 31 8.096 8.096 8.047 0.049 18220
158 1 1 . 1 1 41 41 GLY N N 32 104.056 104.056 106.857 -2.801 18220
159 1 1 . 1 1 41 41 GLY C C 32 174.251 174.251 176.444 -2.193 18220
160 1 1 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.803 -0.303 18220
161 1 1 . 1 1 41 41 GLY H H 32 8.123 8.123 7.565 0.558 18220
162 1 1 . 1 1 42 42 LEU N N 33 123.250 123.250 123.287 -0.037 18220
163 1 1 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.089 -0.232 18220
164 1 1 . 1 1 42 42 LEU C C 33 176.033 176.033 178.870 -2.837 18220
165 1 1 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.456 -1.788 18220
166 1 1 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.944 -0.223 18220
167 1 1 . 1 1 42 42 LEU H H 33 7.914 7.914 8.058 -0.144 18220
168 1 1 . 1 1 43 43 PHE N N 34 119.757 119.757 119.068 0.689 18220
169 1 1 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.067 0.133 18220
170 1 1 . 1 1 43 43 PHE C C 34 174.374 174.374 177.705 -3.331 18220
171 1 1 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.863 -2.987 18220
172 1 1 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.416 0.418 18220
173 1 1 . 1 1 43 43 PHE H H 34 8.287 8.287 8.317 -0.030 18220
174 1 1 . 1 1 44 44 VAL N N 35 117.791 117.791 118.703 -0.912 18220
175 1 1 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.620 -0.010 18220
176 1 1 . 1 1 44 44 VAL C C 35 176.205 176.205 178.292 -2.087 18220
177 1 1 . 1 1 44 44 VAL CA C 35 64.559 64.559 68.077 -3.518 18220
178 1 1 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.543 -0.111 18220
179 1 1 . 1 1 44 44 VAL H H 35 8.235 8.235 8.441 -0.206 18220
180 1 1 . 1 1 45 45 GLY N N 36 108.551 108.551 106.598 1.953 18220
181 1 1 . 1 1 45 45 GLY C C 36 173.749 173.749 175.926 -2.177 18220
182 1 1 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.329 -1.246 18220
183 1 1 . 1 1 45 45 GLY H H 36 8.178 8.178 8.086 0.092 18220
184 1 1 . 1 1 46 46 CYS N N 37 121.173 121.173 121.793 -0.620 18220
185 1 1 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.030 0.150 18220
186 1 1 . 1 1 46 46 CYS C C 37 173.710 173.710 177.061 -3.351 18220
187 1 1 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.524 -1.524 18220
188 1 1 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.439 32.844 18220
189 1 1 . 1 1 46 46 CYS H H 37 8.253 8.253 8.113 0.140 18220
190 1 1 . 1 1 47 47 LEU N N 38 120.283 120.283 119.739 0.544 18220
191 1 1 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.805 0.255 18220
192 1 1 . 1 1 47 47 LEU C C 38 176.679 176.679 179.266 -2.587 18220
193 1 1 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.014 -1.987 18220
194 1 1 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.445 0.019 18220
195 1 1 . 1 1 47 47 LEU H H 38 7.965 7.965 8.154 -0.189 18220
196 1 1 . 1 1 48 48 ALA N N 39 122.249 122.249 121.842 0.407 18220
197 1 1 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.034 0.108 18220
198 1 1 . 1 1 48 48 ALA C C 39 177.915 177.915 179.526 -1.611 18220
199 1 1 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.149 -1.432 18220
200 1 1 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.079 -0.094 18220
201 1 1 . 1 1 48 48 ALA H H 39 8.066 8.066 8.297 -0.231 18220
202 1 1 . 1 1 49 49 GLY N N 40 107.377 107.377 107.249 0.128 18220
203 1 1 . 1 1 49 49 GLY C C 40 172.527 172.527 176.115 -3.588 18220
204 1 1 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.135 -1.685 18220
205 1 1 . 1 1 49 49 GLY H H 40 8.172 8.172 8.456 -0.284 18220
206 1 1 . 1 1 50 50 TYR N N 41 122.409 122.409 122.951 -0.542 18220
207 1 1 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.029 -0.230 18220
208 1 1 . 1 1 50 50 TYR C C 41 174.208 174.208 178.553 -4.345 18220
209 1 1 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.507 -2.262 18220
210 1 1 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.174 -0.238 18220
211 1 1 . 1 1 50 50 TYR H H 41 7.800 7.800 8.598 -0.798 18220
212 1 1 . 1 1 51 51 GLY N N 42 106.935 106.935 105.688 1.247 18220
213 1 1 . 1 1 51 51 GLY C C 42 172.642 172.642 175.701 -3.059 18220
214 1 1 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.983 -0.718 18220
215 1 1 . 1 1 51 51 GLY H H 42 8.199 8.199 8.390 -0.191 18220
216 1 1 . 1 1 52 52 ALA N N 43 123.018 123.018 125.663 -2.645 18220
217 1 1 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.198 -0.048 18220
218 1 1 . 1 1 52 52 ALA C C 43 176.398 176.398 179.532 -3.134 18220
219 1 1 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.413 -1.530 18220
220 1 1 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.515 -0.274 18220
221 1 1 . 1 1 52 52 ALA H H 43 7.758 7.758 8.163 -0.405 18220
222 1 1 . 1 1 53 53 TYR N N 44 119.664 119.664 119.105 0.559 18220
223 1 1 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.331 -0.013 18220
224 1 1 . 1 1 53 53 TYR C C 44 174.180 174.180 177.570 -3.390 18220
225 1 1 . 1 1 53 53 TYR CA C 44 58.593 58.593 59.581 -0.988 18220
226 1 1 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.643 -0.451 18220
227 1 1 . 1 1 53 53 TYR H H 44 7.920 7.920 8.095 -0.175 18220
228 1 1 . 1 1 54 54 ARG N N 45 119.516 119.516 119.275 0.241 18220
229 1 1 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.135 -0.205 18220
230 1 1 . 1 1 54 54 ARG C C 45 174.423 174.423 176.466 -2.043 18220
231 1 1 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.971 -1.944 18220
232 1 1 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.344 -1.171 18220
233 1 1 . 1 1 54 54 ARG H H 45 7.956 7.956 7.902 0.054 18220
234 1 1 . 1 1 55 55 VAL N N 46 116.437 116.437 117.899 -1.462 18220
235 1 1 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.856 0.204 18220
236 1 1 . 1 1 55 55 VAL C C 46 173.806 173.806 175.367 -1.561 18220
237 1 1 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.408 -1.108 18220
238 1 1 . 1 1 55 55 VAL CB C 46 31.521 31.521 29.866 1.655 18220
239 1 1 . 1 1 55 55 VAL H H 46 7.489 7.489 8.167 -0.678 18220
240 1 1 . 1 1 56 56 SER N N 47 117.185 117.185 119.222 -2.037 18220
241 1 1 . 1 1 56 56 SER HA H 47 4.401 4.401 4.438 -0.037 18220
242 1 1 . 1 1 56 56 SER C C 47 172.074 172.074 174.844 -2.770 18220
243 1 1 . 1 1 56 56 SER CA C 47 58.133 58.133 59.230 -1.097 18220
244 1 1 . 1 1 56 56 SER CB C 47 63.468 63.468 63.957 -0.489 18220
245 1 1 . 1 1 56 56 SER H H 47 7.728 7.728 8.580 -0.852 18220
246 1 1 . 1 1 57 57 ASN N N 48 121.049 121.049 118.407 2.642 18220
247 1 1 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.740 -0.150 18220
248 1 1 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.355 0.245 18220
249 1 1 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.511 -0.870 18220
250 1 1 . 1 1 57 57 ASN H H 48 8.228 8.228 8.239 -0.011 18220
251 1 1 . 1 1 58 58 ASP N N 49 120.276 120.276 121.730 -1.454 18220
252 1 1 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.418 0.112 18220
253 1 1 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.997 -0.795 18220
254 1 1 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.556 -1.182 18220
255 1 1 . 1 1 58 58 ASP H H 49 8.192 8.192 8.191 0.001 18220
256 1 1 . 1 1 59 59 LYS N N 50 120.660 120.660 120.452 0.208 18220
257 1 1 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.992 0.208 18220
258 1 1 . 1 1 59 59 LYS C C 50 173.474 173.474 176.917 -3.443 18220
259 1 1 . 1 1 59 59 LYS CA C 50 56.300 56.300 57.506 -1.206 18220
260 1 1 . 1 1 59 59 LYS CB C 50 32.034 32.034 33.061 -1.027 18220
261 1 1 . 1 1 59 59 LYS H H 50 8.003 8.003 8.117 -0.114 18220
262 1 1 . 1 1 60 60 ARG N N 51 121.278 121.278 116.960 4.318 18220
263 1 1 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.279 -0.079 18220
264 1 1 . 1 1 60 60 ARG C C 51 173.303 173.303 176.412 -3.109 18220
265 1 1 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.317 -0.034 18220
266 1 1 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.993 -0.755 18220
267 1 1 . 1 1 60 60 ARG H H 51 8.091 8.091 8.264 -0.173 18220
268 1 1 . 1 1 61 61 ASP N N 52 121.185 121.185 118.830 2.355 18220
269 1 1 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.457 0.158 18220
270 1 1 . 1 1 61 61 ASP C C 52 173.777 173.777 177.002 -3.225 18220
271 1 1 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.937 -0.958 18220
272 1 1 . 1 1 61 61 ASP CB C 52 40.245 40.245 40.968 -0.723 18220
273 1 1 . 1 1 61 61 ASP H H 52 8.261 8.261 8.621 -0.360 18220
274 1 1 . 1 1 62 62 VAL N N 53 121.902 121.902 115.522 6.380 18220
275 1 1 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.503 0.447 18220
276 1 1 . 1 1 62 62 VAL C C 53 173.279 173.279 177.542 -4.263 18220
277 1 1 . 1 1 62 62 VAL CA C 53 63.176 63.176 65.986 -2.810 18220
278 1 1 . 1 1 62 62 VAL CB C 53 32.099 32.099 30.500 1.599 18220
279 1 1 . 1 1 62 62 VAL H H 53 7.997 7.997 8.579 -0.582 18220
280 1 1 . 1 1 63 63 LYS N N 54 123.522 123.522 121.162 2.360 18220
281 1 1 . 1 1 63 63 LYS HA H 54 4.260 4.260 3.922 0.338 18220
282 1 1 . 1 1 63 63 LYS C C 54 174.481 174.481 178.652 -4.171 18220
283 1 1 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.480 -3.133 18220
284 1 1 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.505 -0.406 18220
285 1 1 . 1 1 63 63 LYS H H 54 8.054 8.054 8.069 -0.015 18220
286 1 1 . 1 1 64 64 VAL N N 55 120.647 120.647 116.642 4.005 18220
287 1 1 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.616 0.331 18220
288 1 1 . 1 1 64 64 VAL C C 55 174.955 174.955 177.876 -2.921 18220
289 1 1 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.127 -1.527 18220
290 1 1 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.636 1.241 18220
291 1 1 . 1 1 64 64 VAL H H 55 8.225 8.225 7.688 0.537 18220
292 1 1 . 1 1 65 65 SER N N 56 117.785 117.785 116.052 1.733 18220
293 1 1 . 1 1 65 65 SER HA H 56 4.390 4.390 4.126 0.264 18220
294 1 1 . 1 1 65 65 SER C C 56 172.300 172.300 176.760 -4.460 18220
295 1 1 . 1 1 65 65 SER CA C 56 60.000 60.000 62.099 -2.099 18220
296 1 1 . 1 1 65 65 SER CB C 56 62.879 62.879 62.716 0.163 18220
297 1 1 . 1 1 65 65 SER H H 56 8.260 8.260 7.830 0.430 18220
298 1 1 . 1 1 66 66 LEU N N 57 123.318 123.318 122.090 1.228 18220
299 1 1 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.038 0.052 18220
300 1 1 . 1 1 66 66 LEU C C 57 175.932 175.932 178.302 -2.370 18220
301 1 1 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.745 -0.243 18220
302 1 1 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.981 -0.260 18220
303 1 1 . 1 1 66 66 LEU H H 57 8.091 8.091 7.560 0.531 18220
304 1 1 . 1 1 67 67 PHE N N 58 118.020 118.020 118.967 -0.947 18220
305 1 1 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.391 -0.061 18220
306 1 1 . 1 1 67 67 PHE C C 58 174.912 174.912 177.264 -2.352 18220
307 1 1 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.326 -0.726 18220
308 1 1 . 1 1 67 67 PHE CB C 58 38.552 38.552 39.051 -0.499 18220
309 1 1 . 1 1 67 67 PHE H H 58 8.066 8.066 8.491 -0.425 18220
310 1 1 . 1 1 68 68 THR N N 59 115.324 115.324 118.169 -2.845 18220
311 1 1 . 1 1 68 68 THR HA H 59 4.310 4.310 3.959 0.351 18220
312 1 1 . 1 1 68 68 THR C C 59 173.380 173.380 176.240 -2.860 18220
313 1 1 . 1 1 68 68 THR CA C 59 66.313 66.313 68.008 -1.696 18220
314 1 1 . 1 1 68 68 THR CB C 59 67.700 67.700 68.634 -0.934 18220
315 1 1 . 1 1 68 68 THR H H 59 8.287 8.287 8.265 0.022 18220
316 1 1 . 1 1 69 69 ALA N N 60 123.621 123.621 124.474 -0.853 18220
317 1 1 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.209 0.071 18220
318 1 1 . 1 1 69 69 ALA C C 60 176.978 176.978 179.134 -2.156 18220
319 1 1 . 1 1 69 69 ALA CA C 60 55.100 55.100 54.983 0.117 18220
320 1 1 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.163 -0.435 18220
321 1 1 . 1 1 69 69 ALA H H 60 7.983 7.983 8.382 -0.399 18220
322 1 1 . 1 1 70 70 PHE N N 61 118.520 118.520 120.242 -1.722 18220
323 1 1 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.098 0.162 18220
324 1 1 . 1 1 70 70 PHE C C 61 175.369 175.369 177.054 -1.685 18220
325 1 1 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.802 -1.623 18220
326 1 1 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.091 -0.385 18220
327 1 1 . 1 1 70 70 PHE H H 61 8.007 8.007 8.357 -0.350 18220
328 1 1 . 1 1 71 71 PHE N N 62 122.314 122.314 119.266 3.048 18220
329 1 1 . 1 1 71 71 PHE HA H 62 4.000 4.000 3.901 0.099 18220
330 1 1 . 1 1 71 71 PHE C C 62 174.697 174.697 177.335 -2.638 18220
331 1 1 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.770 -1.253 18220
332 1 1 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.736 0.034 18220
333 1 1 . 1 1 71 71 PHE H H 62 8.546 8.546 8.034 0.512 18220
334 1 1 . 1 1 72 72 LEU N N 63 119.399 119.399 120.473 -1.074 18220
335 1 1 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.766 0.104 18220
336 1 1 . 1 1 72 72 LEU C C 63 175.774 175.774 178.756 -2.982 18220
337 1 1 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.305 -1.380 18220
338 1 1 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.426 -0.219 18220
339 1 1 . 1 1 72 72 LEU H H 63 8.396 8.396 8.180 0.216 18220
340 1 1 . 1 1 73 73 ALA N N 64 120.221 120.221 120.342 -0.121 18220
341 1 1 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.855 0.105 18220
342 1 1 . 1 1 73 73 ALA C C 64 177.267 177.267 179.431 -2.164 18220
343 1 1 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.265 -0.665 18220
344 1 1 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.892 -0.108 18220
345 1 1 . 1 1 73 73 ALA H H 64 8.025 8.025 8.465 -0.440 18220
346 1 1 . 1 1 74 74 THR N N 65 113.648 113.648 114.397 -0.749 18220
347 1 1 . 1 1 74 74 THR HA H 65 3.980 3.980 3.836 0.144 18220
348 1 1 . 1 1 74 74 THR CA C 65 66.291 66.291 66.345 -0.054 18220
349 1 1 . 1 1 74 74 THR CB C 65 67.914 67.914 68.159 -0.244 18220
350 1 1 . 1 1 74 74 THR H H 65 7.717 7.717 7.916 -0.199 18220
351 1 1 . 1 1 75 75 ILE N N 66 120.291 120.291 120.130 0.161 18220
352 1 1 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.704 0.036 18220
353 1 1 . 1 1 75 75 ILE C C 66 174.951 174.951 176.969 -2.018 18220
354 1 1 . 1 1 75 75 ILE CA C 66 64.880 64.880 62.870 2.010 18220
355 1 1 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.115 -0.949 18220
356 1 1 . 1 1 75 75 ILE H H 66 7.738 7.738 7.724 0.014 18220
357 1 1 . 1 1 76 76 MET N N 67 117.618 117.618 118.983 -1.365 18220
358 1 1 . 1 1 76 76 MET HA H 67 4.220 4.220 4.082 0.138 18220
359 1 1 . 1 1 76 76 MET C C 67 175.142 175.142 177.902 -2.760 18220
360 1 1 . 1 1 76 76 MET CA C 67 56.723 56.723 58.758 -2.035 18220
361 1 1 . 1 1 76 76 MET CB C 67 31.951 31.951 33.377 -1.426 18220
362 1 1 . 1 1 76 76 MET H H 67 7.823 7.823 7.962 -0.139 18220
363 1 1 . 1 1 77 77 GLY N N 68 107.110 107.110 105.649 1.461 18220
364 1 1 . 1 1 77 77 GLY C C 68 172.260 172.260 173.897 -1.637 18220
365 1 1 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.077 0.723 18220
366 1 1 . 1 1 77 77 GLY H H 68 7.937 7.937 8.564 -0.627 18220
367 1 1 . 1 1 78 78 VAL N N 69 120.431 120.431 126.038 -5.607 18220
368 1 1 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.092 0.128 18220
369 1 1 . 1 1 78 78 VAL CA C 69 63.900 63.900 61.326 2.574 18220
370 1 1 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.300 0.206 18220
371 1 1 . 1 1 78 78 VAL H H 69 7.697 7.697 7.935 -0.238 18220
372 1 1 . 1 1 79 79 ARG N N 70 121.420 121.420 126.890 -5.470 18220
373 1 1 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.125 -0.315 18220
374 1 1 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.245 0.155 18220
375 1 1 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.759 -0.662 18220
376 1 1 . 1 1 79 79 ARG H H 70 7.889 7.889 7.908 -0.019 18220
377 1 1 . 1 1 80 80 PHE N N 71 119.949 119.949 121.806 -1.857 18220
378 1 1 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.249 0.261 18220
379 1 1 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.674 -1.074 18220
380 1 1 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.518 -0.373 18220
381 1 1 . 1 1 80 80 PHE H H 71 8.101 8.101 8.553 -0.452 18220
382 1 1 . 1 1 81 81 LYS N N 72 122.193 122.193 126.598 -4.405 18220
383 1 1 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.084 1.716 18220
384 1 1 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.257 -1.935 18220
385 1 1 . 1 1 81 81 LYS H H 72 8.090 8.090 7.823 0.267 18220
386 1 1 . 1 1 82 82 ARG N N 73 119.650 119.650 124.656 -5.006 18220
387 1 1 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.997 -0.908 18220
388 1 1 . 1 1 82 82 ARG CB C 73 30.171 30.171 29.577 0.594 18220
389 1 1 . 1 1 82 82 ARG H H 73 8.052 8.052 8.239 -0.187 18220
390 1 1 . 1 1 83 83 SER N N 74 115.734 115.734 118.556 -2.822 18220
391 1 1 . 1 1 83 83 SER CA C 74 58.355 58.355 57.779 0.576 18220
392 1 1 . 1 1 83 83 SER CB C 74 63.404 63.404 65.034 -1.630 18220
393 1 1 . 1 1 83 83 SER H H 74 7.912 7.912 8.397 -0.485 18220
394 1 1 . 1 1 84 84 LYS N N 75 122.370 122.370 121.638 0.732 18220
395 1 1 . 1 1 84 84 LYS CA C 75 56.135 56.135 57.177 -1.042 18220
396 1 1 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.680 -0.505 18220
397 1 1 . 1 1 84 84 LYS H H 75 8.067 8.067 8.350 -0.283 18220
398 1 1 . 1 1 86 86 ILE N N 77 119.592 119.592 118.496 1.096 18220
399 1 1 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.365 -0.555 18220
400 1 1 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.086 3.814 18220
401 1 1 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.335 0.810 18220
402 1 1 . 1 1 86 86 ILE H H 77 7.837 7.837 8.424 -0.587 18220
403 1 1 . 1 1 87 87 MET N N 78 121.645 121.645 122.911 -1.266 18220
404 1 1 . 1 1 87 87 MET CA C 78 52.982 52.982 61.084 -8.102 18220
405 1 1 . 1 1 87 87 MET CB C 78 32.173 32.173 29.886 2.287 18220
406 1 1 . 1 1 87 87 MET H H 78 7.950 7.950 8.881 -0.931 18220
407 1 1 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.491 -0.351 18220
408 1 1 . 1 1 88 88 PRO C C 79 173.921 173.921 178.357 -4.436 18220
409 1 1 . 1 1 88 88 PRO CA C 79 62.800 62.800 65.436 -2.636 18220
410 1 1 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.201 -0.065 18220
411 1 1 . 1 1 89 89 ALA N N 80 124.431 124.431 121.219 3.212 18220
412 1 1 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.217 0.183 18220
413 1 1 . 1 1 89 89 ALA C C 80 176.234 176.234 179.982 -3.748 18220
414 1 1 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.849 -1.549 18220
415 1 1 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.473 0.025 18220
416 1 1 . 1 1 89 89 ALA H H 80 8.320 8.320 8.337 -0.017 18220
417 1 1 . 1 1 90 90 GLY N N 81 106.834 106.834 106.894 -0.060 18220
418 1 1 . 1 1 90 90 GLY C C 81 172.398 172.398 175.982 -3.584 18220
419 1 1 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.043 -1.443 18220
420 1 1 . 1 1 90 90 GLY H H 81 8.458 8.458 8.474 -0.016 18220
421 1 1 . 1 1 91 91 LEU N N 82 121.043 121.043 122.029 -0.986 18220
422 1 1 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.979 0.221 18220
423 1 1 . 1 1 91 91 LEU C C 82 174.783 174.783 178.609 -3.826 18220
424 1 1 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.773 -1.473 18220
425 1 1 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.055 0.051 18220
426 1 1 . 1 1 91 91 LEU H H 82 7.687 7.687 7.550 0.137 18220
427 1 1 . 1 1 92 92 VAL N N 83 114.737 114.737 118.211 -3.474 18220
428 1 1 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.541 0.439 18220
429 1 1 . 1 1 92 92 VAL C C 83 173.634 173.634 177.998 -4.364 18220
430 1 1 . 1 1 92 92 VAL CA C 83 62.400 62.400 65.696 -3.296 18220
431 1 1 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.587 0.998 18220
432 1 1 . 1 1 92 92 VAL H H 83 7.602 7.602 7.846 -0.244 18220
433 1 1 . 1 1 93 93 ALA N N 84 124.320 124.320 121.747 2.573 18220
434 1 1 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.141 0.009 18220
435 1 1 . 1 1 93 93 ALA C C 84 175.746 175.746 179.858 -4.112 18220
436 1 1 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.177 -1.877 18220
437 1 1 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.198 0.042 18220
438 1 1 . 1 1 93 93 ALA H H 84 7.891 7.891 8.220 -0.329 18220
439 1 1 . 1 1 94 94 GLY N N 85 106.807 106.807 108.591 -1.784 18220
440 1 1 . 1 1 94 94 GLY C C 85 171.752 171.752 175.945 -4.193 18220
441 1 1 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.846 -1.597 18220
442 1 1 . 1 1 94 94 GLY H H 85 8.204 8.204 8.094 0.110 18220
443 1 1 . 1 1 95 95 LEU N N 86 121.266 121.266 122.549 -1.283 18220
444 1 1 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.087 0.293 18220
445 1 1 . 1 1 95 95 LEU C C 86 173.702 173.702 178.689 -4.987 18220
446 1 1 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.638 -2.638 18220
447 1 1 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.017 1.281 18220
448 1 1 . 1 1 95 95 LEU H H 86 7.718 7.718 8.218 -0.500 18220
449 1 1 . 1 1 96 96 SER N N 87 115.658 115.658 114.811 0.847 18220
450 1 1 . 1 1 96 96 SER HA H 87 4.370 4.370 4.110 0.260 18220
451 1 1 . 1 1 96 96 SER C C 87 172.479 172.479 176.807 -4.328 18220
452 1 1 . 1 1 96 96 SER CA C 87 57.200 57.200 62.082 -4.882 18220
453 1 1 . 1 1 96 96 SER CB C 87 64.174 64.174 62.966 1.208 18220
454 1 1 . 1 1 96 96 SER H H 87 7.659 7.659 8.164 -0.505 18220
455 1 1 . 1 1 97 97 LEU N N 88 123.720 123.720 122.208 1.512 18220
456 1 1 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.980 0.620 18220
457 1 1 . 1 1 97 97 LEU C C 88 175.932 175.932 179.230 -3.298 18220
458 1 1 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.860 -0.260 18220
459 1 1 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.199 0.201 18220
460 1 1 . 1 1 97 97 LEU H H 88 8.733 8.733 8.082 0.651 18220
461 1 1 . 1 1 98 98 MET N N 89 116.684 116.684 118.611 -1.927 18220
462 1 1 . 1 1 98 98 MET HA H 89 4.280 4.280 4.008 0.272 18220
463 1 1 . 1 1 98 98 MET C C 89 175.789 175.789 178.502 -2.713 18220
464 1 1 . 1 1 98 98 MET CA C 89 56.915 56.915 58.772 -1.857 18220
465 1 1 . 1 1 98 98 MET CB C 89 31.007 31.007 32.397 -1.390 18220
466 1 1 . 1 1 98 98 MET H H 89 8.342 8.342 8.086 0.256 18220
467 1 1 . 1 1 99 99 MET N N 90 119.182 119.182 119.666 -0.484 18220
468 1 1 . 1 1 99 99 MET HA H 90 4.110 4.110 3.946 0.164 18220
469 1 1 . 1 1 99 99 MET C C 90 175.588 175.588 178.531 -2.943 18220
470 1 1 . 1 1 99 99 MET CA C 90 57.951 57.951 59.768 -1.817 18220
471 1 1 . 1 1 99 99 MET CB C 90 32.226 32.226 32.541 -0.315 18220
472 1 1 . 1 1 99 99 MET H H 90 7.720 7.720 7.988 -0.268 18220
473 1 1 . 1 1 100 100 ILE N N 91 119.077 119.077 119.540 -0.463 18220
474 1 1 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.581 0.529 18220
475 1 1 . 1 1 100 100 ILE C C 91 174.634 174.634 178.048 -3.414 18220
476 1 1 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.300 -1.200 18220
477 1 1 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.695 -0.552 18220
478 1 1 . 1 1 100 100 ILE H H 91 7.662 7.662 8.094 -0.432 18220
479 1 1 . 1 1 101 101 LEU N N 92 119.646 119.646 119.147 0.499 18220
480 1 1 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.945 0.585 18220
481 1 1 . 1 1 101 101 LEU C C 92 175.430 175.430 178.966 -3.536 18220
482 1 1 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.267 -0.467 18220
483 1 1 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.490 -0.732 18220
484 1 1 . 1 1 101 101 LEU H H 92 8.142 8.142 8.035 0.107 18220
485 1 1 . 1 1 102 102 ARG N N 93 116.394 116.394 119.791 -3.397 18220
486 1 1 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.099 0.041 18220
487 1 1 . 1 1 102 102 ARG C C 93 175.961 175.961 178.677 -2.716 18220
488 1 1 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.915 0.185 18220
489 1 1 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.844 -0.440 18220
490 1 1 . 1 1 102 102 ARG H H 93 7.893 7.893 8.049 -0.156 18220
491 1 1 . 1 1 103 103 LEU N N 94 119.114 119.114 120.158 -1.044 18220
492 1 1 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.048 0.062 18220
493 1 1 . 1 1 103 103 LEU C C 94 175.889 175.889 178.960 -3.071 18220
494 1 1 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.963 -0.663 18220
495 1 1 . 1 1 103 103 LEU CB C 94 41.296 41.296 42.025 -0.729 18220
496 1 1 . 1 1 103 103 LEU H H 94 7.622 7.622 8.105 -0.483 18220
497 1 1 . 1 1 104 104 VAL N N 95 117.704 117.704 117.821 -0.117 18220
498 1 1 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.794 -0.264 18220
499 1 1 . 1 1 104 104 VAL C C 95 175.042 175.042 177.407 -2.365 18220
500 1 1 . 1 1 104 104 VAL CA C 95 66.419 66.419 66.096 0.323 18220
501 1 1 . 1 1 104 104 VAL CB C 95 31.357 31.357 32.176 -0.819 18220
502 1 1 . 1 1 104 104 VAL H H 95 8.026 8.026 7.284 0.742 18220
503 1 1 . 1 1 105 105 LEU N N 96 117.185 117.185 121.429 -4.244 18220
504 1 1 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.839 0.141 18220
505 1 1 . 1 1 105 105 LEU C C 96 176.579 176.579 178.510 -1.931 18220
506 1 1 . 1 1 105 105 LEU CA C 96 56.800 56.800 58.320 -1.520 18220
507 1 1 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.949 -0.998 18220
508 1 1 . 1 1 105 105 LEU H H 96 7.893 7.893 7.772 0.121 18220
509 1 1 . 1 1 106 106 LEU N N 97 118.471 118.471 119.673 -1.202 18220
510 1 1 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.924 0.256 18220
511 1 1 . 1 1 106 106 LEU C C 97 175.802 175.802 178.412 -2.610 18220
512 1 1 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.867 -1.567 18220
513 1 1 . 1 1 106 106 LEU CB C 97 41.592 41.592 42.086 -0.494 18220
514 1 1 . 1 1 106 106 LEU H H 97 7.545 7.545 7.938 -0.393 18220
515 1 1 . 1 1 107 107 LEU N N 98 118.162 118.162 118.875 -0.713 18220
516 1 1 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.078 0.152 18220
517 1 1 . 1 1 107 107 LEU C C 98 174.174 174.174 178.078 -3.904 18220
518 1 1 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.213 0.070 18220
519 1 1 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.511 -0.149 18220
520 1 1 . 1 1 107 107 LEU H H 98 7.688 7.688 7.573 0.115 18220
521 1 2 . 1 1 11 11 ASP N N 2 120.536 120.536 122.630 -2.094 18220
522 1 2 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.116 1.802 18220
523 1 2 . 1 1 11 11 ASP CB C 2 37.959 37.959 42.412 -4.453 18220
524 1 2 . 1 1 11 11 ASP H H 2 7.863 7.863 8.715 -0.852 18220
525 1 2 . 1 1 12 12 LEU N N 3 121.414 121.414 122.745 -1.331 18220
526 1 2 . 1 1 12 12 LEU C C 3 176.162 176.162 175.156 1.006 18220
527 1 2 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.413 1.187 18220
528 1 2 . 1 1 12 12 LEU CB C 3 41.657 41.657 41.076 0.581 18220
529 1 2 . 1 1 12 12 LEU H H 3 8.285 8.285 8.608 -0.323 18220
530 1 2 . 1 1 13 13 ILE N N 4 118.854 118.854 120.030 -1.176 18220
531 1 2 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.306 -0.566 18220
532 1 2 . 1 1 13 13 ILE C C 4 175.228 175.228 175.726 -0.498 18220
533 1 2 . 1 1 13 13 ILE CA C 4 64.500 64.500 60.505 3.994 18220
534 1 2 . 1 1 13 13 ILE CB C 4 37.102 37.102 41.126 -4.024 18220
535 1 2 . 1 1 13 13 ILE H H 4 8.031 8.031 7.994 0.037 18220
536 1 2 . 1 1 14 14 GLY N N 5 107.478 107.478 114.604 -7.126 18220
537 1 2 . 1 1 14 14 GLY C C 5 174.424 174.424 175.151 -0.727 18220
538 1 2 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.475 1.584 18220
539 1 2 . 1 1 14 14 GLY H H 5 8.148 8.148 8.352 -0.204 18220
540 1 2 . 1 1 15 15 PHE N N 6 122.774 122.774 127.379 -4.605 18220
541 1 2 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.201 0.279 18220
542 1 2 . 1 1 15 15 PHE C C 6 175.113 175.113 177.341 -2.228 18220
543 1 2 . 1 1 15 15 PHE CA C 6 60.017 60.017 60.962 -0.945 18220
544 1 2 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.541 -0.767 18220
545 1 2 . 1 1 15 15 PHE H H 6 8.194 8.194 8.787 -0.593 18220
546 1 2 . 1 1 16 16 GLY N N 7 107.938 107.938 107.012 0.926 18220
547 1 2 . 1 1 16 16 GLY C C 7 171.838 171.838 175.921 -4.083 18220
548 1 2 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.668 -0.568 18220
549 1 2 . 1 1 16 16 GLY H H 7 8.697 8.697 8.641 0.056 18220
550 1 2 . 1 1 17 17 TYR N N 8 121.785 121.785 122.514 -0.729 18220
551 1 2 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.131 0.019 18220
552 1 2 . 1 1 17 17 TYR C C 8 174.180 174.180 177.997 -3.817 18220
553 1 2 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.665 0.635 18220
554 1 2 . 1 1 17 17 TYR CB C 8 37.959 37.959 37.988 -0.029 18220
555 1 2 . 1 1 17 17 TYR H H 8 8.710 8.710 8.441 0.269 18220
556 1 2 . 1 1 18 18 ALA N N 9 120.233 120.233 120.343 -0.110 18220
557 1 2 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.862 0.088 18220
558 1 2 . 1 1 18 18 ALA C C 9 178.059 178.059 178.679 -0.620 18220
559 1 2 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.993 -0.121 18220
560 1 2 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.554 0.008 18220
561 1 2 . 1 1 18 18 ALA H H 9 7.843 7.843 8.191 -0.348 18220
562 1 2 . 1 1 19 19 ALA N N 10 121.797 121.797 121.196 0.601 18220
563 1 2 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.099 -0.149 18220
564 1 2 . 1 1 19 19 ALA C C 10 176.191 176.191 179.894 -3.703 18220
565 1 2 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.507 0.093 18220
566 1 2 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.139 -0.577 18220
567 1 2 . 1 1 19 19 ALA H H 10 8.212 8.212 7.672 0.540 18220
568 1 2 . 1 1 20 20 LEU N N 11 119.442 119.442 120.548 -1.106 18220
569 1 2 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.939 -0.002 18220
570 1 2 . 1 1 20 20 LEU C C 11 176.694 176.694 179.065 -2.371 18220
571 1 2 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.972 -0.172 18220
572 1 2 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.002 -0.780 18220
573 1 2 . 1 1 20 20 LEU H H 11 8.065 8.065 7.958 0.107 18220
574 1 2 . 1 1 21 21 VAL N N 12 118.323 118.323 119.559 -1.236 18220
575 1 2 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.649 -0.009 18220
576 1 2 . 1 1 21 21 VAL C C 12 176.536 176.536 178.282 -1.746 18220
577 1 2 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.575 -1.175 18220
578 1 2 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.594 0.541 18220
579 1 2 . 1 1 21 21 VAL H H 12 8.051 8.051 8.288 -0.237 18220
580 1 2 . 1 1 22 22 THR N N 13 118.298 118.298 116.504 1.794 18220
581 1 2 . 1 1 22 22 THR HA H 13 4.660 4.660 3.904 0.756 18220
582 1 2 . 1 1 22 22 THR C C 13 173.734 173.734 176.393 -2.659 18220
583 1 2 . 1 1 22 22 THR CA C 13 66.300 66.300 67.268 -0.968 18220
584 1 2 . 1 1 22 22 THR CB C 13 67.775 67.775 68.550 -0.775 18220
585 1 2 . 1 1 22 22 THR H H 13 7.944 7.944 8.315 -0.371 18220
586 1 2 . 1 1 23 23 PHE N N 14 121.328 121.328 121.085 0.243 18220
587 1 2 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.099 0.241 18220
588 1 2 . 1 1 23 23 PHE C C 14 174.783 174.783 177.193 -2.410 18220
589 1 2 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.388 -0.888 18220
590 1 2 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.732 -0.106 18220
591 1 2 . 1 1 23 23 PHE H H 14 8.567 8.567 8.114 0.453 18220
592 1 2 . 1 1 24 24 GLY N N 15 106.871 106.871 107.306 -0.435 18220
593 1 2 . 1 1 24 24 GLY C C 15 172.858 172.858 176.257 -3.399 18220
594 1 2 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.585 -0.685 18220
595 1 2 . 1 1 24 24 GLY H H 15 8.475 8.475 8.588 -0.113 18220
596 1 2 . 1 1 25 25 SER N N 16 116.214 116.214 117.846 -1.632 18220
597 1 2 . 1 1 25 25 SER HA H 16 4.280 4.280 3.951 0.329 18220
598 1 2 . 1 1 25 25 SER CA C 16 60.300 60.300 61.343 -1.043 18220
599 1 2 . 1 1 25 25 SER CB C 16 62.879 62.879 62.692 0.187 18220
600 1 2 . 1 1 25 25 SER H H 16 7.963 7.963 7.966 -0.003 18220
601 1 2 . 1 1 26 26 ILE N N 17 121.024 121.024 120.957 0.067 18220
602 1 2 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.414 0.532 18220
603 1 2 . 1 1 26 26 ILE C C 17 173.935 173.935 178.184 -4.249 18220
604 1 2 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.997 -1.897 18220
605 1 2 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.849 0.258 18220
606 1 2 . 1 1 26 26 ILE H H 17 7.676 7.676 7.991 -0.315 18220
607 1 2 . 1 1 27 27 PHE N N 18 117.142 117.142 119.533 -2.391 18220
608 1 2 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.050 0.380 18220
609 1 2 . 1 1 27 27 PHE C C 18 173.504 173.504 176.974 -3.470 18220
610 1 2 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.646 -2.146 18220
611 1 2 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.652 0.122 18220
612 1 2 . 1 1 27 27 PHE H H 18 7.703 7.703 8.208 -0.505 18220
613 1 2 . 1 1 28 28 GLY N N 19 107.303 107.303 105.508 1.795 18220
614 1 2 . 1 1 28 28 GLY C C 19 171.593 171.593 174.275 -2.682 18220
615 1 2 . 1 1 28 28 GLY CA C 19 45.600 45.600 46.408 -0.808 18220
616 1 2 . 1 1 28 28 GLY H H 19 7.722 7.722 7.558 0.164 18220
617 1 2 . 1 1 29 29 TYR N N 20 119.862 119.862 113.092 6.770 18220
618 1 2 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.469 -0.077 18220
619 1 2 . 1 1 29 29 TYR C C 20 173.174 173.174 173.560 -0.386 18220
620 1 2 . 1 1 29 29 TYR CA C 20 58.500 58.500 57.987 0.513 18220
621 1 2 . 1 1 29 29 TYR CB C 20 38.404 38.404 39.727 -1.323 18220
622 1 2 . 1 1 29 29 TYR H H 20 7.880 7.880 7.591 0.289 18220
623 1 2 . 1 1 30 30 LYS N N 21 122.335 122.335 118.633 3.702 18220
624 1 2 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.340 0.050 18220
625 1 2 . 1 1 30 30 LYS C C 21 173.547 173.547 174.156 -0.609 18220
626 1 2 . 1 1 30 30 LYS CA C 21 55.800 55.800 55.537 0.263 18220
627 1 2 . 1 1 30 30 LYS CB C 21 32.396 32.396 34.047 -1.651 18220
628 1 2 . 1 1 30 30 LYS H H 21 7.934 7.934 6.506 1.428 18220
629 1 2 . 1 1 31 31 ARG N N 22 120.612 120.612 119.219 1.393 18220
630 1 2 . 1 1 31 31 ARG C C 22 173.547 173.547 177.217 -3.670 18220
631 1 2 . 1 1 31 31 ARG CA C 22 55.834 55.834 58.074 -2.240 18220
632 1 2 . 1 1 31 31 ARG CB C 22 30.101 30.101 31.809 -1.708 18220
633 1 2 . 1 1 31 31 ARG H H 22 7.905 7.905 8.614 -0.709 18220
634 1 2 . 1 1 32 32 ARG N N 23 121.748 121.748 118.320 3.428 18220
635 1 2 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.594 -0.284 18220
636 1 2 . 1 1 32 32 ARG C C 23 173.863 173.863 176.162 -2.299 18220
637 1 2 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.357 -0.557 18220
638 1 2 . 1 1 32 32 ARG CB C 23 30.245 30.245 31.660 -1.415 18220
639 1 2 . 1 1 32 32 ARG H H 23 8.175 8.175 8.141 0.034 18220
640 1 2 . 1 1 33 33 GLY N N 24 109.528 109.528 107.065 2.463 18220
641 1 2 . 1 1 33 33 GLY C C 24 171.752 171.752 172.896 -1.144 18220
642 1 2 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.149 -0.249 18220
643 1 2 . 1 1 33 33 GLY H H 24 8.264 8.264 7.869 0.395 18220
644 1 2 . 1 1 34 34 GLY N N 25 108.563 108.563 107.696 0.867 18220
645 1 2 . 1 1 34 34 GLY C C 25 171.701 171.701 173.899 -2.198 18220
646 1 2 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.055 -0.455 18220
647 1 2 . 1 1 34 34 GLY H H 25 8.208 8.208 8.030 0.177 18220
648 1 2 . 1 1 35 35 VAL N N 26 121.164 121.164 120.543 0.621 18220
649 1 2 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.099 -0.089 18220
650 1 2 . 1 1 35 35 VAL C C 26 175.888 175.888 174.869 1.019 18220
651 1 2 . 1 1 35 35 VAL CA C 26 63.900 63.900 61.360 2.540 18220
652 1 2 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.876 -1.186 18220
653 1 2 . 1 1 35 35 VAL H H 26 8.485 8.485 8.250 0.235 18220
654 1 2 . 1 1 36 36 PRO C C 27 177.660 177.660 177.526 0.134 18220
655 1 2 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.937 -1.090 18220
656 1 2 . 1 1 37 37 SER N N 28 116.023 116.023 112.937 3.086 18220
657 1 2 . 1 1 37 37 SER HA H 28 4.280 4.280 4.082 0.198 18220
658 1 2 . 1 1 37 37 SER CA C 28 61.100 61.100 60.968 0.133 18220
659 1 2 . 1 1 37 37 SER H H 28 7.948 7.948 8.505 -0.557 18220
660 1 2 . 1 1 38 38 LEU N N 29 124.029 124.029 122.912 1.117 18220
661 1 2 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.970 0.200 18220
662 1 2 . 1 1 38 38 LEU C C 29 176.132 176.132 178.134 -2.002 18220
663 1 2 . 1 1 38 38 LEU CA C 29 57.500 57.500 57.929 -0.429 18220
664 1 2 . 1 1 38 38 LEU CB C 29 42.038 42.038 42.216 -0.178 18220
665 1 2 . 1 1 38 38 LEU H H 29 8.201 8.201 8.211 -0.010 18220
666 1 2 . 1 1 39 39 ILE N N 30 117.098 117.098 117.942 -0.844 18220
667 1 2 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.539 0.831 18220
668 1 2 . 1 1 39 39 ILE C C 30 176.478 176.478 177.489 -1.011 18220
669 1 2 . 1 1 39 39 ILE CA C 30 63.079 63.079 65.710 -2.631 18220
670 1 2 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.248 -0.275 18220
671 1 2 . 1 1 39 39 ILE H H 30 7.662 7.662 7.747 -0.085 18220
672 1 2 . 1 1 40 40 ALA N N 31 122.447 122.447 121.789 0.658 18220
673 1 2 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.079 -0.045 18220
674 1 2 . 1 1 40 40 ALA C C 31 177.067 177.067 179.862 -2.795 18220
675 1 2 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.197 0.765 18220
676 1 2 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.746 0.110 18220
677 1 2 . 1 1 40 40 ALA H H 31 8.096 8.096 7.991 0.105 18220
678 1 2 . 1 1 41 41 GLY N N 32 104.056 104.056 106.808 -2.752 18220
679 1 2 . 1 1 41 41 GLY C C 32 174.251 174.251 176.107 -1.856 18220
680 1 2 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.669 -0.169 18220
681 1 2 . 1 1 41 41 GLY H H 32 8.123 8.123 8.202 -0.079 18220
682 1 2 . 1 1 42 42 LEU N N 33 123.250 123.250 123.874 -0.624 18220
683 1 2 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.170 -0.313 18220
684 1 2 . 1 1 42 42 LEU C C 33 176.033 176.033 177.985 -1.952 18220
685 1 2 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.929 -1.261 18220
686 1 2 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.195 -0.474 18220
687 1 2 . 1 1 42 42 LEU H H 33 7.914 7.914 8.033 -0.119 18220
688 1 2 . 1 1 43 43 PHE N N 34 119.757 119.757 119.633 0.124 18220
689 1 2 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.148 0.052 18220
690 1 2 . 1 1 43 43 PHE C C 34 174.374 174.374 177.537 -3.163 18220
691 1 2 . 1 1 43 43 PHE CA C 34 59.876 59.876 61.864 -1.988 18220
692 1 2 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.783 0.051 18220
693 1 2 . 1 1 43 43 PHE H H 34 8.287 8.287 8.636 -0.349 18220
694 1 2 . 1 1 44 44 VAL N N 35 117.791 117.791 119.110 -1.319 18220
695 1 2 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.664 -0.054 18220
696 1 2 . 1 1 44 44 VAL C C 35 176.205 176.205 177.911 -1.706 18220
697 1 2 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.755 -2.196 18220
698 1 2 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.729 -0.297 18220
699 1 2 . 1 1 44 44 VAL H H 35 8.235 8.235 8.483 -0.248 18220
700 1 2 . 1 1 45 45 GLY N N 36 108.551 108.551 106.838 1.713 18220
701 1 2 . 1 1 45 45 GLY C C 36 173.749 173.749 175.734 -1.985 18220
702 1 2 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.430 -1.347 18220
703 1 2 . 1 1 45 45 GLY H H 36 8.178 8.178 8.097 0.081 18220
704 1 2 . 1 1 46 46 CYS N N 37 121.173 121.173 121.161 0.012 18220
705 1 2 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.176 0.004 18220
706 1 2 . 1 1 46 46 CYS C C 37 173.710 173.710 176.588 -2.878 18220
707 1 2 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.155 -0.155 18220
708 1 2 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.923 32.360 18220
709 1 2 . 1 1 46 46 CYS H H 37 8.253 8.253 7.971 0.282 18220
710 1 2 . 1 1 47 47 LEU N N 38 120.283 120.283 121.035 -0.752 18220
711 1 2 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.680 0.380 18220
712 1 2 . 1 1 47 47 LEU C C 38 176.679 176.679 178.290 -1.611 18220
713 1 2 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.251 -2.224 18220
714 1 2 . 1 1 47 47 LEU CB C 38 41.464 41.464 42.014 -0.550 18220
715 1 2 . 1 1 47 47 LEU H H 38 7.965 7.965 8.223 -0.258 18220
716 1 2 . 1 1 48 48 ALA N N 39 122.249 122.249 119.196 3.053 18220
717 1 2 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.982 0.160 18220
718 1 2 . 1 1 48 48 ALA C C 39 177.915 177.915 179.893 -1.978 18220
719 1 2 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.297 -1.580 18220
720 1 2 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.024 -0.039 18220
721 1 2 . 1 1 48 48 ALA H H 39 8.066 8.066 8.415 -0.349 18220
722 1 2 . 1 1 49 49 GLY N N 40 107.377 107.377 107.246 0.131 18220
723 1 2 . 1 1 49 49 GLY C C 40 172.527 172.527 175.632 -3.105 18220
724 1 2 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.911 -1.461 18220
725 1 2 . 1 1 49 49 GLY H H 40 8.172 8.172 8.121 0.051 18220
726 1 2 . 1 1 50 50 TYR N N 41 122.409 122.409 123.787 -1.378 18220
727 1 2 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.121 -0.322 18220
728 1 2 . 1 1 50 50 TYR C C 41 174.208 174.208 178.262 -4.054 18220
729 1 2 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.529 -2.284 18220
730 1 2 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.293 -0.357 18220
731 1 2 . 1 1 50 50 TYR H H 41 7.800 7.800 8.371 -0.571 18220
732 1 2 . 1 1 51 51 GLY N N 42 106.935 106.935 105.640 1.295 18220
733 1 2 . 1 1 51 51 GLY C C 42 172.642 172.642 175.607 -2.965 18220
734 1 2 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.888 -0.623 18220
735 1 2 . 1 1 51 51 GLY H H 42 8.199 8.199 8.240 -0.041 18220
736 1 2 . 1 1 52 52 ALA N N 43 123.018 123.018 123.952 -0.934 18220
737 1 2 . 1 1 52 52 ALA HA H 43 4.150 4.150 3.996 0.154 18220
738 1 2 . 1 1 52 52 ALA C C 43 176.398 176.398 178.945 -2.547 18220
739 1 2 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.414 -1.531 18220
740 1 2 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.461 -0.220 18220
741 1 2 . 1 1 52 52 ALA H H 43 7.758 7.758 8.292 -0.534 18220
742 1 2 . 1 1 53 53 TYR N N 44 119.664 119.664 117.564 2.100 18220
743 1 2 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.319 -0.001 18220
744 1 2 . 1 1 53 53 TYR C C 44 174.180 174.180 177.904 -3.724 18220
745 1 2 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.996 -2.403 18220
746 1 2 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.678 -0.486 18220
747 1 2 . 1 1 53 53 TYR H H 44 7.920 7.920 7.818 0.102 18220
748 1 2 . 1 1 54 54 ARG N N 45 119.516 119.516 120.161 -0.645 18220
749 1 2 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.123 -0.193 18220
750 1 2 . 1 1 54 54 ARG C C 45 174.423 174.423 178.103 -3.680 18220
751 1 2 . 1 1 54 54 ARG CA C 45 56.027 56.027 58.504 -2.477 18220
752 1 2 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.319 -0.146 18220
753 1 2 . 1 1 54 54 ARG H H 45 7.956 7.956 7.913 0.043 18220
754 1 2 . 1 1 55 55 VAL N N 46 116.437 116.437 119.899 -3.462 18220
755 1 2 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.779 0.281 18220
756 1 2 . 1 1 55 55 VAL C C 46 173.806 173.806 176.347 -2.541 18220
757 1 2 . 1 1 55 55 VAL CA C 46 62.300 62.300 64.945 -2.645 18220
758 1 2 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.061 -0.540 18220
759 1 2 . 1 1 55 55 VAL H H 46 7.489 7.489 8.023 -0.534 18220
760 1 2 . 1 1 56 56 SER N N 47 117.185 117.185 113.872 3.313 18220
761 1 2 . 1 1 56 56 SER HA H 47 4.401 4.401 4.199 0.202 18220
762 1 2 . 1 1 56 56 SER C C 47 172.074 172.074 173.437 -1.363 18220
763 1 2 . 1 1 56 56 SER CA C 47 58.133 58.133 59.394 -1.261 18220
764 1 2 . 1 1 56 56 SER CB C 47 63.468 63.468 62.896 0.572 18220
765 1 2 . 1 1 56 56 SER H H 47 7.728 7.728 7.599 0.129 18220
766 1 2 . 1 1 57 57 ASN N N 48 121.049 121.049 124.113 -3.064 18220
767 1 2 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.666 -0.076 18220
768 1 2 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.317 0.283 18220
769 1 2 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.422 -0.781 18220
770 1 2 . 1 1 57 57 ASN H H 48 8.228 8.228 8.605 -0.377 18220
771 1 2 . 1 1 58 58 ASP N N 49 120.276 120.276 121.658 -1.382 18220
772 1 2 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.398 0.132 18220
773 1 2 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.868 -0.666 18220
774 1 2 . 1 1 58 58 ASP CB C 49 40.374 40.374 40.846 -0.472 18220
775 1 2 . 1 1 58 58 ASP H H 49 8.192 8.192 8.025 0.167 18220
776 1 2 . 1 1 59 59 LYS N N 50 120.660 120.660 122.946 -2.286 18220
777 1 2 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.408 -0.208 18220
778 1 2 . 1 1 59 59 LYS C C 50 173.474 173.474 175.176 -1.702 18220
779 1 2 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.259 0.041 18220
780 1 2 . 1 1 59 59 LYS CB C 50 32.034 32.034 33.963 -1.929 18220
781 1 2 . 1 1 59 59 LYS H H 50 8.003 8.003 8.148 -0.145 18220
782 1 2 . 1 1 60 60 ARG N N 51 121.278 121.278 123.746 -2.468 18220
783 1 2 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.406 -0.206 18220
784 1 2 . 1 1 60 60 ARG C C 51 173.303 173.303 175.696 -2.393 18220
785 1 2 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.474 -1.191 18220
786 1 2 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.881 -0.643 18220
787 1 2 . 1 1 60 60 ARG H H 51 8.091 8.091 8.502 -0.411 18220
788 1 2 . 1 1 61 61 ASP N N 52 121.185 121.185 115.832 5.353 18220
789 1 2 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.510 0.105 18220
790 1 2 . 1 1 61 61 ASP C C 52 173.777 173.777 175.036 -1.259 18220
791 1 2 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.435 -0.457 18220
792 1 2 . 1 1 61 61 ASP CB C 52 40.245 40.245 42.142 -1.897 18220
793 1 2 . 1 1 61 61 ASP H H 52 8.261 8.261 7.845 0.416 18220
794 1 2 . 1 1 62 62 VAL N N 53 121.902 121.902 115.705 6.197 18220
795 1 2 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.477 -0.527 18220
796 1 2 . 1 1 62 62 VAL C C 53 173.279 173.279 175.144 -1.865 18220
797 1 2 . 1 1 62 62 VAL CA C 53 63.176 63.176 62.018 1.158 18220
798 1 2 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.774 -0.675 18220
799 1 2 . 1 1 62 62 VAL H H 53 7.997 7.997 7.686 0.311 18220
800 1 2 . 1 1 63 63 LYS N N 54 123.522 123.522 122.296 1.226 18220
801 1 2 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.172 0.088 18220
802 1 2 . 1 1 63 63 LYS C C 54 174.481 174.481 178.116 -3.635 18220
803 1 2 . 1 1 63 63 LYS CA C 54 56.347 56.347 58.930 -2.583 18220
804 1 2 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.313 -0.214 18220
805 1 2 . 1 1 63 63 LYS H H 54 8.054 8.054 8.140 -0.086 18220
806 1 2 . 1 1 64 64 VAL N N 55 120.647 120.647 119.752 0.895 18220
807 1 2 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.647 0.300 18220
808 1 2 . 1 1 64 64 VAL C C 55 174.955 174.955 177.110 -2.155 18220
809 1 2 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.600 -2.000 18220
810 1 2 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.607 0.270 18220
811 1 2 . 1 1 64 64 VAL H H 55 8.225 8.225 8.196 0.029 18220
812 1 2 . 1 1 65 65 SER N N 56 117.785 117.785 113.947 3.838 18220
813 1 2 . 1 1 65 65 SER HA H 56 4.390 4.390 4.192 0.198 18220
814 1 2 . 1 1 65 65 SER C C 56 172.300 172.300 176.691 -4.391 18220
815 1 2 . 1 1 65 65 SER CA C 56 60.000 60.000 62.186 -2.186 18220
816 1 2 . 1 1 65 65 SER CB C 56 62.879 62.879 62.361 0.518 18220
817 1 2 . 1 1 65 65 SER H H 56 8.260 8.260 8.280 -0.020 18220
818 1 2 . 1 1 66 66 LEU N N 57 123.318 123.318 122.320 0.998 18220
819 1 2 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.104 -0.014 18220
820 1 2 . 1 1 66 66 LEU C C 57 175.932 175.932 178.461 -2.529 18220
821 1 2 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.935 -0.433 18220
822 1 2 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.873 -0.152 18220
823 1 2 . 1 1 66 66 LEU H H 57 8.091 8.091 7.730 0.361 18220
824 1 2 . 1 1 67 67 PHE N N 58 118.020 118.020 119.003 -0.983 18220
825 1 2 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.384 -0.054 18220
826 1 2 . 1 1 67 67 PHE C C 58 174.912 174.912 177.584 -2.672 18220
827 1 2 . 1 1 67 67 PHE CA C 58 60.600 60.600 60.986 -0.386 18220
828 1 2 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.778 -0.226 18220
829 1 2 . 1 1 67 67 PHE H H 58 8.066 8.066 8.499 -0.433 18220
830 1 2 . 1 1 68 68 THR N N 59 115.324 115.324 116.916 -1.592 18220
831 1 2 . 1 1 68 68 THR HA H 59 4.310 4.310 4.006 0.304 18220
832 1 2 . 1 1 68 68 THR C C 59 173.380 173.380 176.538 -3.158 18220
833 1 2 . 1 1 68 68 THR CA C 59 66.313 66.313 67.504 -1.191 18220
834 1 2 . 1 1 68 68 THR CB C 59 67.700 67.700 68.807 -1.107 18220
835 1 2 . 1 1 68 68 THR H H 59 8.287 8.287 8.297 -0.010 18220
836 1 2 . 1 1 69 69 ALA N N 60 123.621 123.621 124.493 -0.872 18220
837 1 2 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.194 0.086 18220
838 1 2 . 1 1 69 69 ALA C C 60 176.978 176.978 179.519 -2.541 18220
839 1 2 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.128 -0.028 18220
840 1 2 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.090 -0.362 18220
841 1 2 . 1 1 69 69 ALA H H 60 7.983 7.983 8.309 -0.326 18220
842 1 2 . 1 1 70 70 PHE N N 61 118.520 118.520 120.879 -2.359 18220
843 1 2 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.156 0.104 18220
844 1 2 . 1 1 70 70 PHE C C 61 175.369 175.369 177.134 -1.765 18220
845 1 2 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.297 -1.118 18220
846 1 2 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.078 -0.372 18220
847 1 2 . 1 1 70 70 PHE H H 61 8.007 8.007 8.350 -0.343 18220
848 1 2 . 1 1 71 71 PHE N N 62 122.314 122.314 118.257 4.057 18220
849 1 2 . 1 1 71 71 PHE HA H 62 4.000 4.000 3.835 0.165 18220
850 1 2 . 1 1 71 71 PHE C C 62 174.697 174.697 177.832 -3.135 18220
851 1 2 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.659 -1.142 18220
852 1 2 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.441 0.330 18220
853 1 2 . 1 1 71 71 PHE H H 62 8.546 8.546 8.347 0.199 18220
854 1 2 . 1 1 72 72 LEU N N 63 119.399 119.399 121.501 -2.102 18220
855 1 2 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.850 0.020 18220
856 1 2 . 1 1 72 72 LEU C C 63 175.774 175.774 178.062 -2.288 18220
857 1 2 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.641 -1.716 18220
858 1 2 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.776 -0.569 18220
859 1 2 . 1 1 72 72 LEU H H 63 8.396 8.396 8.555 -0.159 18220
860 1 2 . 1 1 73 73 ALA N N 64 120.221 120.221 120.067 0.154 18220
861 1 2 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.841 0.119 18220
862 1 2 . 1 1 73 73 ALA C C 64 177.267 177.267 179.637 -2.370 18220
863 1 2 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.326 -0.726 18220
864 1 2 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.065 -0.281 18220
865 1 2 . 1 1 73 73 ALA H H 64 8.025 8.025 8.202 -0.177 18220
866 1 2 . 1 1 74 74 THR N N 65 113.648 113.648 114.337 -0.689 18220
867 1 2 . 1 1 74 74 THR HA H 65 3.980 3.980 3.822 0.158 18220
868 1 2 . 1 1 74 74 THR CA C 65 66.291 66.291 66.463 -0.172 18220
869 1 2 . 1 1 74 74 THR CB C 65 67.914 67.914 68.323 -0.409 18220
870 1 2 . 1 1 74 74 THR H H 65 7.717 7.717 8.033 -0.316 18220
871 1 2 . 1 1 75 75 ILE N N 66 120.291 120.291 119.449 0.842 18220
872 1 2 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.692 0.048 18220
873 1 2 . 1 1 75 75 ILE C C 66 174.951 174.951 176.760 -1.809 18220
874 1 2 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.669 1.211 18220
875 1 2 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.089 -0.923 18220
876 1 2 . 1 1 75 75 ILE H H 66 7.738 7.738 7.933 -0.195 18220
877 1 2 . 1 1 76 76 MET N N 67 117.618 117.618 119.320 -1.702 18220
878 1 2 . 1 1 76 76 MET HA H 67 4.220 4.220 4.420 -0.200 18220
879 1 2 . 1 1 76 76 MET C C 67 175.142 175.142 177.537 -2.395 18220
880 1 2 . 1 1 76 76 MET CA C 67 56.723 56.723 56.356 0.367 18220
881 1 2 . 1 1 76 76 MET CB C 67 31.951 31.951 33.423 -1.472 18220
882 1 2 . 1 1 76 76 MET H H 67 7.823 7.823 7.940 -0.117 18220
883 1 2 . 1 1 77 77 GLY N N 68 107.110 107.110 108.002 -0.892 18220
884 1 2 . 1 1 77 77 GLY C C 68 172.260 172.260 173.932 -1.672 18220
885 1 2 . 1 1 77 77 GLY CA C 68 45.800 45.800 46.296 -0.496 18220
886 1 2 . 1 1 77 77 GLY H H 68 7.937 7.937 8.196 -0.259 18220
887 1 2 . 1 1 78 78 VAL N N 69 120.431 120.431 117.238 3.193 18220
888 1 2 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.182 0.038 18220
889 1 2 . 1 1 78 78 VAL CA C 69 63.900 63.900 61.271 2.629 18220
890 1 2 . 1 1 78 78 VAL CB C 69 31.506 31.506 32.705 -1.199 18220
891 1 2 . 1 1 78 78 VAL H H 69 7.697 7.697 7.588 0.109 18220
892 1 2 . 1 1 79 79 ARG N N 70 121.420 121.420 124.138 -2.718 18220
893 1 2 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.548 -0.738 18220
894 1 2 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.604 0.796 18220
895 1 2 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.005 0.092 18220
896 1 2 . 1 1 79 79 ARG H H 70 7.889 7.889 8.224 -0.335 18220
897 1 2 . 1 1 80 80 PHE N N 71 119.949 119.949 118.871 1.078 18220
898 1 2 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.150 0.360 18220
899 1 2 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.544 0.056 18220
900 1 2 . 1 1 80 80 PHE CB C 71 39.145 39.145 38.554 0.591 18220
901 1 2 . 1 1 80 80 PHE H H 71 8.101 8.101 8.178 -0.077 18220
902 1 2 . 1 1 81 81 LYS N N 72 122.193 122.193 119.185 3.008 18220
903 1 2 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.931 0.869 18220
904 1 2 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.246 -0.924 18220
905 1 2 . 1 1 81 81 LYS H H 72 8.090 8.090 7.833 0.257 18220
906 1 2 . 1 1 82 82 ARG N N 73 119.650 119.650 116.749 2.901 18220
907 1 2 . 1 1 82 82 ARG CA C 73 56.089 56.089 57.848 -1.759 18220
908 1 2 . 1 1 82 82 ARG CB C 73 30.171 30.171 29.381 0.790 18220
909 1 2 . 1 1 82 82 ARG H H 73 8.052 8.052 8.787 -0.735 18220
910 1 2 . 1 1 83 83 SER N N 74 115.734 115.734 118.727 -2.993 18220
911 1 2 . 1 1 83 83 SER CA C 74 58.355 58.355 59.392 -1.037 18220
912 1 2 . 1 1 83 83 SER CB C 74 63.404 63.404 63.732 -0.328 18220
913 1 2 . 1 1 83 83 SER H H 74 7.912 7.912 8.294 -0.382 18220
914 1 2 . 1 1 84 84 LYS N N 75 122.370 122.370 122.007 0.363 18220
915 1 2 . 1 1 84 84 LYS CA C 75 56.135 56.135 57.115 -0.980 18220
916 1 2 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.884 0.291 18220
917 1 2 . 1 1 84 84 LYS H H 75 8.067 8.067 8.698 -0.631 18220
918 1 2 . 1 1 86 86 ILE N N 77 119.592 119.592 124.323 -4.731 18220
919 1 2 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.940 -0.130 18220
920 1 2 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.585 2.315 18220
921 1 2 . 1 1 86 86 ILE CB C 77 39.145 39.145 37.140 2.005 18220
922 1 2 . 1 1 86 86 ILE H H 77 7.837 7.837 8.627 -0.790 18220
923 1 2 . 1 1 87 87 MET N N 78 121.645 121.645 123.030 -1.385 18220
924 1 2 . 1 1 87 87 MET CA C 78 52.982 52.982 53.642 -0.660 18220
925 1 2 . 1 1 87 87 MET CB C 78 32.173 32.173 36.546 -4.373 18220
926 1 2 . 1 1 87 87 MET H H 78 7.950 7.950 8.279 -0.329 18220
927 1 2 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.750 -0.610 18220
928 1 2 . 1 1 88 88 PRO C C 79 173.921 173.921 176.515 -2.594 18220
929 1 2 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.840 -0.040 18220
930 1 2 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.754 -0.618 18220
931 1 2 . 1 1 89 89 ALA N N 80 124.431 124.431 130.120 -5.689 18220
932 1 2 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.022 0.378 18220
933 1 2 . 1 1 89 89 ALA C C 80 176.234 176.234 179.031 -2.797 18220
934 1 2 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.382 -2.082 18220
935 1 2 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.573 -0.075 18220
936 1 2 . 1 1 89 89 ALA H H 80 8.320 8.320 8.149 0.171 18220
937 1 2 . 1 1 90 90 GLY N N 81 106.834 106.834 107.776 -0.942 18220
938 1 2 . 1 1 90 90 GLY C C 81 172.398 172.398 176.260 -3.862 18220
939 1 2 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.966 -1.366 18220
940 1 2 . 1 1 90 90 GLY H H 81 8.458 8.458 8.560 -0.102 18220
941 1 2 . 1 1 91 91 LEU N N 82 121.043 121.043 122.656 -1.613 18220
942 1 2 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.962 0.238 18220
943 1 2 . 1 1 91 91 LEU C C 82 174.783 174.783 178.568 -3.785 18220
944 1 2 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.011 -1.711 18220
945 1 2 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.104 0.002 18220
946 1 2 . 1 1 91 91 LEU H H 82 7.687 7.687 8.207 -0.520 18220
947 1 2 . 1 1 92 92 VAL N N 83 114.737 114.737 118.292 -3.555 18220
948 1 2 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.523 0.457 18220
949 1 2 . 1 1 92 92 VAL C C 83 173.634 173.634 177.802 -4.168 18220
950 1 2 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.142 -3.742 18220
951 1 2 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.232 0.353 18220
952 1 2 . 1 1 92 92 VAL H H 83 7.602 7.602 7.809 -0.207 18220
953 1 2 . 1 1 93 93 ALA N N 84 124.320 124.320 121.418 2.902 18220
954 1 2 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.153 -0.003 18220
955 1 2 . 1 1 93 93 ALA C C 84 175.746 175.746 179.729 -3.983 18220
956 1 2 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.179 -1.879 18220
957 1 2 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.038 0.203 18220
958 1 2 . 1 1 93 93 ALA H H 84 7.891 7.891 8.205 -0.314 18220
959 1 2 . 1 1 94 94 GLY N N 85 106.807 106.807 108.667 -1.860 18220
960 1 2 . 1 1 94 94 GLY C C 85 171.752 171.752 175.939 -4.187 18220
961 1 2 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.874 -1.625 18220
962 1 2 . 1 1 94 94 GLY H H 85 8.204 8.204 8.070 0.134 18220
963 1 2 . 1 1 95 95 LEU N N 86 121.266 121.266 122.749 -1.483 18220
964 1 2 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.070 0.310 18220
965 1 2 . 1 1 95 95 LEU C C 86 173.702 173.702 179.013 -5.311 18220
966 1 2 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.698 -2.698 18220
967 1 2 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.050 1.248 18220
968 1 2 . 1 1 95 95 LEU H H 86 7.718 7.718 8.663 -0.945 18220
969 1 2 . 1 1 96 96 SER N N 87 115.658 115.658 115.154 0.504 18220
970 1 2 . 1 1 96 96 SER HA H 87 4.370 4.370 4.142 0.228 18220
971 1 2 . 1 1 96 96 SER C C 87 172.479 172.479 176.715 -4.236 18220
972 1 2 . 1 1 96 96 SER CA C 87 57.200 57.200 62.313 -5.113 18220
973 1 2 . 1 1 96 96 SER CB C 87 64.174 64.174 63.097 1.077 18220
974 1 2 . 1 1 96 96 SER H H 87 7.659 7.659 8.033 -0.374 18220
975 1 2 . 1 1 97 97 LEU N N 88 123.720 123.720 122.596 1.124 18220
976 1 2 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.888 0.712 18220
977 1 2 . 1 1 97 97 LEU C C 88 175.932 175.932 178.906 -2.974 18220
978 1 2 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.366 -0.766 18220
979 1 2 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.111 -0.711 18220
980 1 2 . 1 1 97 97 LEU H H 88 8.733 8.733 7.991 0.742 18220
981 1 2 . 1 1 98 98 MET N N 89 116.684 116.684 117.435 -0.751 18220
982 1 2 . 1 1 98 98 MET HA H 89 4.280 4.280 4.010 0.270 18220
983 1 2 . 1 1 98 98 MET C C 89 175.789 175.789 178.500 -2.711 18220
984 1 2 . 1 1 98 98 MET CA C 89 56.915 56.915 59.271 -2.356 18220
985 1 2 . 1 1 98 98 MET CB C 89 31.007 31.007 32.490 -1.483 18220
986 1 2 . 1 1 98 98 MET H H 89 8.342 8.342 8.174 0.168 18220
987 1 2 . 1 1 99 99 MET N N 90 119.182 119.182 119.732 -0.550 18220
988 1 2 . 1 1 99 99 MET HA H 90 4.110 4.110 4.064 0.046 18220
989 1 2 . 1 1 99 99 MET C C 90 175.588 175.588 178.713 -3.125 18220
990 1 2 . 1 1 99 99 MET CA C 90 57.951 57.951 58.688 -0.737 18220
991 1 2 . 1 1 99 99 MET CB C 90 32.226 32.226 31.944 0.282 18220
992 1 2 . 1 1 99 99 MET H H 90 7.720 7.720 7.934 -0.214 18220
993 1 2 . 1 1 100 100 ILE N N 91 119.077 119.077 119.405 -0.328 18220
994 1 2 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.621 0.489 18220
995 1 2 . 1 1 100 100 ILE C C 91 174.634 174.634 178.182 -3.548 18220
996 1 2 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.407 -1.307 18220
997 1 2 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.487 -0.344 18220
998 1 2 . 1 1 100 100 ILE H H 91 7.662 7.662 8.171 -0.509 18220
999 1 2 . 1 1 101 101 LEU N N 92 119.646 119.646 119.385 0.261 18220
1000 1 2 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.962 0.568 18220
1001 1 2 . 1 1 101 101 LEU C C 92 175.430 175.430 179.440 -4.010 18220
1002 1 2 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.187 -0.387 18220
1003 1 2 . 1 1 101 101 LEU CB C 92 40.758 40.758 40.940 -0.182 18220
1004 1 2 . 1 1 101 101 LEU H H 92 8.142 8.142 8.010 0.132 18220
1005 1 2 . 1 1 102 102 ARG N N 93 116.394 116.394 118.229 -1.835 18220
1006 1 2 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.104 0.036 18220
1007 1 2 . 1 1 102 102 ARG C C 93 175.961 175.961 178.581 -2.620 18220
1008 1 2 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.934 0.167 18220
1009 1 2 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.967 -0.563 18220
1010 1 2 . 1 1 102 102 ARG H H 93 7.893 7.893 8.137 -0.244 18220
1011 1 2 . 1 1 103 103 LEU N N 94 119.114 119.114 121.270 -2.156 18220
1012 1 2 . 1 1 103 103 LEU HA H 94 4.110 4.110 3.991 0.119 18220
1013 1 2 . 1 1 103 103 LEU C C 94 175.889 175.889 179.286 -3.397 18220
1014 1 2 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.574 -1.274 18220
1015 1 2 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.947 -0.651 18220
1016 1 2 . 1 1 103 103 LEU H H 94 7.622 7.622 8.054 -0.432 18220
1017 1 2 . 1 1 104 104 VAL N N 95 117.704 117.704 115.654 2.050 18220
1018 1 2 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.734 -0.204 18220
1019 1 2 . 1 1 104 104 VAL C C 95 175.042 175.042 177.622 -2.580 18220
1020 1 2 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.892 0.527 18220
1021 1 2 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.677 -0.320 18220
1022 1 2 . 1 1 104 104 VAL H H 95 8.026 8.026 7.512 0.514 18220
1023 1 2 . 1 1 105 105 LEU N N 96 117.185 117.185 121.938 -4.753 18220
1024 1 2 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.934 0.046 18220
1025 1 2 . 1 1 105 105 LEU C C 96 176.579 176.579 179.332 -2.753 18220
1026 1 2 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.763 -0.963 18220
1027 1 2 . 1 1 105 105 LEU CB C 96 40.951 40.951 40.679 0.272 18220
1028 1 2 . 1 1 105 105 LEU H H 96 7.893 7.893 7.703 0.190 18220
1029 1 2 . 1 1 106 106 LEU N N 97 118.471 118.471 119.961 -1.490 18220
1030 1 2 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.944 0.236 18220
1031 1 2 . 1 1 106 106 LEU C C 97 175.802 175.802 178.886 -3.084 18220
1032 1 2 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.828 -1.528 18220
1033 1 2 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.780 0.812 18220
1034 1 2 . 1 1 106 106 LEU H H 97 7.545 7.545 8.035 -0.490 18220
1035 1 2 . 1 1 107 107 LEU N N 98 118.162 118.162 118.790 -0.628 18220
1036 1 2 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.118 0.112 18220
1037 1 2 . 1 1 107 107 LEU C C 98 174.174 174.174 177.888 -3.714 18220
1038 1 2 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.559 -0.276 18220
1039 1 2 . 1 1 107 107 LEU CB C 98 42.362 42.362 41.842 0.520 18220
1040 1 2 . 1 1 107 107 LEU H H 98 7.688 7.688 8.265 -0.577 18220
1041 1 3 . 1 1 11 11 ASP N N 2 120.536 120.536 120.889 -0.353 18220
1042 1 3 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.482 1.436 18220
1043 1 3 . 1 1 11 11 ASP CB C 2 37.959 37.959 42.197 -4.238 18220
1044 1 3 . 1 1 11 11 ASP H H 2 7.863 7.863 8.264 -0.401 18220
1045 1 3 . 1 1 12 12 LEU N N 3 121.414 121.414 124.016 -2.602 18220
1046 1 3 . 1 1 12 12 LEU C C 3 176.162 176.162 176.187 -0.025 18220
1047 1 3 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.673 1.927 18220
1048 1 3 . 1 1 12 12 LEU CB C 3 41.657 41.657 41.113 0.544 18220
1049 1 3 . 1 1 12 12 LEU H H 3 8.285 8.285 7.972 0.313 18220
1050 1 3 . 1 1 13 13 ILE N N 4 118.854 118.854 120.916 -2.062 18220
1051 1 3 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.263 -0.523 18220
1052 1 3 . 1 1 13 13 ILE C C 4 175.228 175.228 174.990 0.238 18220
1053 1 3 . 1 1 13 13 ILE CA C 4 64.500 64.500 60.433 4.067 18220
1054 1 3 . 1 1 13 13 ILE CB C 4 37.102 37.102 42.011 -4.909 18220
1055 1 3 . 1 1 13 13 ILE H H 4 8.031 8.031 8.220 -0.189 18220
1056 1 3 . 1 1 14 14 GLY N N 5 107.478 107.478 111.294 -3.816 18220
1057 1 3 . 1 1 14 14 GLY C C 5 174.424 174.424 175.060 -0.636 18220
1058 1 3 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.662 1.397 18220
1059 1 3 . 1 1 14 14 GLY H H 5 8.148 8.148 8.293 -0.145 18220
1060 1 3 . 1 1 15 15 PHE N N 6 122.774 122.774 124.442 -1.668 18220
1061 1 3 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.448 0.032 18220
1062 1 3 . 1 1 15 15 PHE C C 6 175.113 175.113 177.660 -2.547 18220
1063 1 3 . 1 1 15 15 PHE CA C 6 60.017 60.017 60.619 -0.602 18220
1064 1 3 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.501 -0.727 18220
1065 1 3 . 1 1 15 15 PHE H H 6 8.194 8.194 8.777 -0.583 18220
1066 1 3 . 1 1 16 16 GLY N N 7 107.938 107.938 108.169 -0.231 18220
1067 1 3 . 1 1 16 16 GLY C C 7 171.838 171.838 175.902 -4.064 18220
1068 1 3 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.691 -0.591 18220
1069 1 3 . 1 1 16 16 GLY H H 7 8.697 8.697 8.595 0.102 18220
1070 1 3 . 1 1 17 17 TYR N N 8 121.785 121.785 122.259 -0.474 18220
1071 1 3 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.142 0.008 18220
1072 1 3 . 1 1 17 17 TYR C C 8 174.180 174.180 178.070 -3.890 18220
1073 1 3 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.201 0.099 18220
1074 1 3 . 1 1 17 17 TYR CB C 8 37.959 37.959 37.964 -0.005 18220
1075 1 3 . 1 1 17 17 TYR H H 8 8.710 8.710 8.318 0.392 18220
1076 1 3 . 1 1 18 18 ALA N N 9 120.233 120.233 120.216 0.017 18220
1077 1 3 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.879 0.071 18220
1078 1 3 . 1 1 18 18 ALA C C 9 178.059 178.059 178.814 -0.755 18220
1079 1 3 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.088 -0.216 18220
1080 1 3 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.817 -0.255 18220
1081 1 3 . 1 1 18 18 ALA H H 9 7.843 7.843 8.300 -0.457 18220
1082 1 3 . 1 1 19 19 ALA N N 10 121.797 121.797 121.384 0.413 18220
1083 1 3 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.227 -0.277 18220
1084 1 3 . 1 1 19 19 ALA C C 10 176.191 176.191 179.706 -3.515 18220
1085 1 3 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.589 0.011 18220
1086 1 3 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.273 -0.711 18220
1087 1 3 . 1 1 19 19 ALA H H 10 8.212 8.212 7.807 0.405 18220
1088 1 3 . 1 1 20 20 LEU N N 11 119.442 119.442 120.982 -1.540 18220
1089 1 3 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.069 -0.132 18220
1090 1 3 . 1 1 20 20 LEU C C 11 176.694 176.694 178.733 -2.039 18220
1091 1 3 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.399 -0.599 18220
1092 1 3 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.072 -0.850 18220
1093 1 3 . 1 1 20 20 LEU H H 11 8.065 8.065 8.011 0.054 18220
1094 1 3 . 1 1 21 21 VAL N N 12 118.323 118.323 115.155 3.168 18220
1095 1 3 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.621 0.019 18220
1096 1 3 . 1 1 21 21 VAL C C 12 176.536 176.536 178.002 -1.466 18220
1097 1 3 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.703 -1.303 18220
1098 1 3 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.261 -0.126 18220
1099 1 3 . 1 1 21 21 VAL H H 12 8.051 8.051 8.291 -0.240 18220
1100 1 3 . 1 1 22 22 THR N N 13 118.298 118.298 118.203 0.095 18220
1101 1 3 . 1 1 22 22 THR HA H 13 4.660 4.660 3.971 0.689 18220
1102 1 3 . 1 1 22 22 THR C C 13 173.734 173.734 176.512 -2.778 18220
1103 1 3 . 1 1 22 22 THR CA C 13 66.300 66.300 67.685 -1.385 18220
1104 1 3 . 1 1 22 22 THR CB C 13 67.775 67.775 68.815 -1.040 18220
1105 1 3 . 1 1 22 22 THR H H 13 7.944 7.944 7.882 0.062 18220
1106 1 3 . 1 1 23 23 PHE N N 14 121.328 121.328 121.800 -0.472 18220
1107 1 3 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.166 0.174 18220
1108 1 3 . 1 1 23 23 PHE C C 14 174.783 174.783 177.678 -2.895 18220
1109 1 3 . 1 1 23 23 PHE CA C 14 60.500 60.500 62.100 -1.600 18220
1110 1 3 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.958 -0.332 18220
1111 1 3 . 1 1 23 23 PHE H H 14 8.567 8.567 8.559 0.008 18220
1112 1 3 . 1 1 24 24 GLY N N 15 106.871 106.871 106.333 0.538 18220
1113 1 3 . 1 1 24 24 GLY C C 15 172.858 172.858 176.205 -3.347 18220
1114 1 3 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.418 -0.518 18220
1115 1 3 . 1 1 24 24 GLY H H 15 8.475 8.475 8.660 -0.185 18220
1116 1 3 . 1 1 25 25 SER N N 16 116.214 116.214 117.402 -1.188 18220
1117 1 3 . 1 1 25 25 SER HA H 16 4.280 4.280 4.088 0.192 18220
1118 1 3 . 1 1 25 25 SER CA C 16 60.300 60.300 61.356 -1.056 18220
1119 1 3 . 1 1 25 25 SER CB C 16 62.879 62.879 63.173 -0.294 18220
1120 1 3 . 1 1 25 25 SER H H 16 7.963 7.963 8.006 -0.043 18220
1121 1 3 . 1 1 26 26 ILE N N 17 121.024 121.024 121.528 -0.504 18220
1122 1 3 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.698 0.248 18220
1123 1 3 . 1 1 26 26 ILE C C 17 173.935 173.935 178.495 -4.560 18220
1124 1 3 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.378 -2.278 18220
1125 1 3 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.007 0.100 18220
1126 1 3 . 1 1 26 26 ILE H H 17 7.676 7.676 8.039 -0.363 18220
1127 1 3 . 1 1 27 27 PHE N N 18 117.142 117.142 120.244 -3.102 18220
1128 1 3 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.206 0.224 18220
1129 1 3 . 1 1 27 27 PHE C C 18 173.504 173.504 177.171 -3.667 18220
1130 1 3 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.893 -2.393 18220
1131 1 3 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.988 -0.214 18220
1132 1 3 . 1 1 27 27 PHE H H 18 7.703 7.703 8.407 -0.704 18220
1133 1 3 . 1 1 28 28 GLY N N 19 107.303 107.303 104.932 2.371 18220
1134 1 3 . 1 1 28 28 GLY C C 19 171.593 171.593 174.003 -2.410 18220
1135 1 3 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.026 0.574 18220
1136 1 3 . 1 1 28 28 GLY H H 19 7.722 7.722 7.571 0.151 18220
1137 1 3 . 1 1 29 29 TYR N N 20 119.862 119.862 119.622 0.240 18220
1138 1 3 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.141 0.251 18220
1139 1 3 . 1 1 29 29 TYR C C 20 173.174 173.174 175.302 -2.128 18220
1140 1 3 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.873 -0.373 18220
1141 1 3 . 1 1 29 29 TYR CB C 20 38.404 38.404 36.928 1.476 18220
1142 1 3 . 1 1 29 29 TYR H H 20 7.880 7.880 8.048 -0.168 18220
1143 1 3 . 1 1 30 30 LYS N N 21 122.335 122.335 122.150 0.185 18220
1144 1 3 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.469 -0.079 18220
1145 1 3 . 1 1 30 30 LYS C C 21 173.547 173.547 175.562 -2.015 18220
1146 1 3 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.211 -0.411 18220
1147 1 3 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.715 -1.319 18220
1148 1 3 . 1 1 30 30 LYS H H 21 7.934 7.934 8.579 -0.645 18220
1149 1 3 . 1 1 31 31 ARG N N 22 120.612 120.612 119.005 1.607 18220
1150 1 3 . 1 1 31 31 ARG C C 22 173.547 173.547 174.261 -0.714 18220
1151 1 3 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.644 0.190 18220
1152 1 3 . 1 1 31 31 ARG CB C 22 30.101 30.101 32.462 -2.361 18220
1153 1 3 . 1 1 31 31 ARG H H 22 7.905 7.905 7.416 0.489 18220
1154 1 3 . 1 1 32 32 ARG N N 23 121.748 121.748 120.791 0.957 18220
1155 1 3 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.410 -0.100 18220
1156 1 3 . 1 1 32 32 ARG C C 23 173.863 173.863 176.138 -2.275 18220
1157 1 3 . 1 1 32 32 ARG CA C 23 55.800 55.800 55.312 0.488 18220
1158 1 3 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.822 -0.577 18220
1159 1 3 . 1 1 32 32 ARG H H 23 8.175 8.175 8.365 -0.190 18220
1160 1 3 . 1 1 33 33 GLY N N 24 109.528 109.528 109.840 -0.312 18220
1161 1 3 . 1 1 33 33 GLY C C 24 171.752 171.752 174.494 -2.742 18220
1162 1 3 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.340 -0.440 18220
1163 1 3 . 1 1 33 33 GLY H H 24 8.264 8.264 8.614 -0.350 18220
1164 1 3 . 1 1 34 34 GLY N N 25 108.563 108.563 106.554 2.009 18220
1165 1 3 . 1 1 34 34 GLY C C 25 171.701 171.701 174.378 -2.677 18220
1166 1 3 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.123 -0.523 18220
1167 1 3 . 1 1 34 34 GLY H H 25 8.208 8.208 8.250 -0.042 18220
1168 1 3 . 1 1 35 35 VAL N N 26 121.164 121.164 125.205 -4.041 18220
1169 1 3 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.038 -0.028 18220
1170 1 3 . 1 1 35 35 VAL C C 26 175.888 175.888 174.556 1.332 18220
1171 1 3 . 1 1 35 35 VAL CA C 26 63.900 63.900 62.017 1.883 18220
1172 1 3 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.754 -1.064 18220
1173 1 3 . 1 1 35 35 VAL H H 26 8.485 8.485 8.176 0.309 18220
1174 1 3 . 1 1 36 36 PRO C C 27 177.660 177.660 175.802 1.858 18220
1175 1 3 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.212 -1.365 18220
1176 1 3 . 1 1 37 37 SER N N 28 116.023 116.023 114.826 1.197 18220
1177 1 3 . 1 1 37 37 SER HA H 28 4.280 4.280 4.344 -0.064 18220
1178 1 3 . 1 1 37 37 SER CA C 28 61.100 61.100 58.707 2.393 18220
1179 1 3 . 1 1 37 37 SER H H 28 7.948 7.948 8.204 -0.256 18220
1180 1 3 . 1 1 38 38 LEU N N 29 124.029 124.029 125.458 -1.429 18220
1181 1 3 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.970 0.200 18220
1182 1 3 . 1 1 38 38 LEU C C 29 176.132 176.132 178.063 -1.931 18220
1183 1 3 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.225 -0.725 18220
1184 1 3 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.936 0.102 18220
1185 1 3 . 1 1 38 38 LEU H H 29 8.201 8.201 8.311 -0.110 18220
1186 1 3 . 1 1 39 39 ILE N N 30 117.098 117.098 117.449 -0.351 18220
1187 1 3 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.649 0.721 18220
1188 1 3 . 1 1 39 39 ILE C C 30 176.478 176.478 177.905 -1.427 18220
1189 1 3 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.499 -1.420 18220
1190 1 3 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.214 0.759 18220
1191 1 3 . 1 1 39 39 ILE H H 30 7.662 7.662 7.597 0.065 18220
1192 1 3 . 1 1 40 40 ALA N N 31 122.447 122.447 122.010 0.437 18220
1193 1 3 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.104 -0.070 18220
1194 1 3 . 1 1 40 40 ALA C C 31 177.067 177.067 180.029 -2.962 18220
1195 1 3 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.174 0.788 18220
1196 1 3 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.951 -0.095 18220
1197 1 3 . 1 1 40 40 ALA H H 31 8.096 8.096 8.053 0.043 18220
1198 1 3 . 1 1 41 41 GLY N N 32 104.056 104.056 106.746 -2.690 18220
1199 1 3 . 1 1 41 41 GLY C C 32 174.251 174.251 175.900 -1.649 18220
1200 1 3 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.621 -0.121 18220
1201 1 3 . 1 1 41 41 GLY H H 32 8.123 8.123 8.135 -0.012 18220
1202 1 3 . 1 1 42 42 LEU N N 33 123.250 123.250 123.532 -0.282 18220
1203 1 3 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.092 -0.235 18220
1204 1 3 . 1 1 42 42 LEU C C 33 176.033 176.033 178.117 -2.084 18220
1205 1 3 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.560 -0.892 18220
1206 1 3 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.135 -0.413 18220
1207 1 3 . 1 1 42 42 LEU H H 33 7.914 7.914 8.054 -0.140 18220
1208 1 3 . 1 1 43 43 PHE N N 34 119.757 119.757 119.429 0.328 18220
1209 1 3 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.145 0.055 18220
1210 1 3 . 1 1 43 43 PHE C C 34 174.374 174.374 177.586 -3.212 18220
1211 1 3 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.174 -2.298 18220
1212 1 3 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.860 -0.026 18220
1213 1 3 . 1 1 43 43 PHE H H 34 8.287 8.287 8.609 -0.322 18220
1214 1 3 . 1 1 44 44 VAL N N 35 117.791 117.791 120.270 -2.479 18220
1215 1 3 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.689 -0.079 18220
1216 1 3 . 1 1 44 44 VAL C C 35 176.205 176.205 177.643 -1.438 18220
1217 1 3 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.448 -2.889 18220
1218 1 3 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.682 -0.250 18220
1219 1 3 . 1 1 44 44 VAL H H 35 8.235 8.235 8.463 -0.228 18220
1220 1 3 . 1 1 45 45 GLY N N 36 108.551 108.551 107.166 1.385 18220
1221 1 3 . 1 1 45 45 GLY C C 36 173.749 173.749 176.168 -2.419 18220
1222 1 3 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.600 -1.517 18220
1223 1 3 . 1 1 45 45 GLY H H 36 8.178 8.178 8.309 -0.131 18220
1224 1 3 . 1 1 46 46 CYS N N 37 121.173 121.173 120.751 0.422 18220
1225 1 3 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.053 0.127 18220
1226 1 3 . 1 1 46 46 CYS C C 37 173.710 173.710 176.819 -3.109 18220
1227 1 3 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.160 -0.161 18220
1228 1 3 . 1 1 46 46 CYS CB C 37 60.283 60.283 26.332 33.951 18220
1229 1 3 . 1 1 46 46 CYS H H 37 8.253 8.253 8.445 -0.192 18220
1230 1 3 . 1 1 47 47 LEU N N 38 120.283 120.283 121.774 -1.491 18220
1231 1 3 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.896 0.164 18220
1232 1 3 . 1 1 47 47 LEU C C 38 176.679 176.679 178.211 -1.532 18220
1233 1 3 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.201 -2.174 18220
1234 1 3 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.757 -0.293 18220
1235 1 3 . 1 1 47 47 LEU H H 38 7.965 7.965 8.159 -0.194 18220
1236 1 3 . 1 1 48 48 ALA N N 39 122.249 122.249 120.427 1.822 18220
1237 1 3 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.979 0.163 18220
1238 1 3 . 1 1 48 48 ALA C C 39 177.915 177.915 179.577 -1.662 18220
1239 1 3 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.527 -1.810 18220
1240 1 3 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.151 -0.166 18220
1241 1 3 . 1 1 48 48 ALA H H 39 8.066 8.066 8.281 -0.215 18220
1242 1 3 . 1 1 49 49 GLY N N 40 107.377 107.377 107.435 -0.058 18220
1243 1 3 . 1 1 49 49 GLY C C 40 172.527 172.527 175.933 -3.406 18220
1244 1 3 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.176 -1.726 18220
1245 1 3 . 1 1 49 49 GLY H H 40 8.172 8.172 8.189 -0.017 18220
1246 1 3 . 1 1 50 50 TYR N N 41 122.409 122.409 123.638 -1.229 18220
1247 1 3 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.022 -0.223 18220
1248 1 3 . 1 1 50 50 TYR C C 41 174.208 174.208 178.258 -4.050 18220
1249 1 3 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.289 -2.044 18220
1250 1 3 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.248 -0.312 18220
1251 1 3 . 1 1 50 50 TYR H H 41 7.800 7.800 8.340 -0.540 18220
1252 1 3 . 1 1 51 51 GLY N N 42 106.935 106.935 106.097 0.838 18220
1253 1 3 . 1 1 51 51 GLY C C 42 172.642 172.642 175.686 -3.044 18220
1254 1 3 . 1 1 51 51 GLY CA C 42 46.265 46.265 47.003 -0.738 18220
1255 1 3 . 1 1 51 51 GLY H H 42 8.199 8.199 8.226 -0.027 18220
1256 1 3 . 1 1 52 52 ALA N N 43 123.018 123.018 124.424 -1.406 18220
1257 1 3 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.067 0.083 18220
1258 1 3 . 1 1 52 52 ALA C C 43 176.398 176.398 179.440 -3.042 18220
1259 1 3 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.708 -1.825 18220
1260 1 3 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.287 -0.046 18220
1261 1 3 . 1 1 52 52 ALA H H 43 7.758 7.758 8.423 -0.665 18220
1262 1 3 . 1 1 53 53 TYR N N 44 119.664 119.664 118.012 1.652 18220
1263 1 3 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.261 0.057 18220
1264 1 3 . 1 1 53 53 TYR C C 44 174.180 174.180 177.457 -3.277 18220
1265 1 3 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.612 -2.019 18220
1266 1 3 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.383 -0.191 18220
1267 1 3 . 1 1 53 53 TYR H H 44 7.920 7.920 8.180 -0.260 18220
1268 1 3 . 1 1 54 54 ARG N N 45 119.516 119.516 118.563 0.953 18220
1269 1 3 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.066 -0.136 18220
1270 1 3 . 1 1 54 54 ARG C C 45 174.423 174.423 177.728 -3.305 18220
1271 1 3 . 1 1 54 54 ARG CA C 45 56.027 56.027 58.312 -2.285 18220
1272 1 3 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.120 -0.948 18220
1273 1 3 . 1 1 54 54 ARG H H 45 7.956 7.956 7.715 0.241 18220
1274 1 3 . 1 1 55 55 VAL N N 46 116.437 116.437 117.676 -1.239 18220
1275 1 3 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.960 0.100 18220
1276 1 3 . 1 1 55 55 VAL C C 46 173.806 173.806 176.235 -2.429 18220
1277 1 3 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.792 -1.492 18220
1278 1 3 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.222 -0.701 18220
1279 1 3 . 1 1 55 55 VAL H H 46 7.489 7.489 8.467 -0.978 18220
1280 1 3 . 1 1 56 56 SER N N 47 117.185 117.185 112.516 4.669 18220
1281 1 3 . 1 1 56 56 SER HA H 47 4.401 4.401 4.279 0.122 18220
1282 1 3 . 1 1 56 56 SER C C 47 172.074 172.074 173.778 -1.704 18220
1283 1 3 . 1 1 56 56 SER CA C 47 58.133 58.133 59.096 -0.963 18220
1284 1 3 . 1 1 56 56 SER CB C 47 63.468 63.468 63.056 0.412 18220
1285 1 3 . 1 1 56 56 SER H H 47 7.728 7.728 7.861 -0.133 18220
1286 1 3 . 1 1 57 57 ASN N N 48 121.049 121.049 120.954 0.095 18220
1287 1 3 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.735 -0.145 18220
1288 1 3 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.683 -0.083 18220
1289 1 3 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.109 -0.468 18220
1290 1 3 . 1 1 57 57 ASN H H 48 8.228 8.228 8.405 -0.177 18220
1291 1 3 . 1 1 58 58 ASP N N 49 120.276 120.276 121.368 -1.092 18220
1292 1 3 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.818 -0.288 18220
1293 1 3 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.207 -0.005 18220
1294 1 3 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.302 -0.928 18220
1295 1 3 . 1 1 58 58 ASP H H 49 8.192 8.192 8.151 0.041 18220
1296 1 3 . 1 1 59 59 LYS N N 50 120.660 120.660 121.461 -0.801 18220
1297 1 3 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.378 -0.178 18220
1298 1 3 . 1 1 59 59 LYS C C 50 173.474 173.474 175.868 -2.394 18220
1299 1 3 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.488 0.812 18220
1300 1 3 . 1 1 59 59 LYS CB C 50 32.034 32.034 33.856 -1.822 18220
1301 1 3 . 1 1 59 59 LYS H H 50 8.003 8.003 8.398 -0.395 18220
1302 1 3 . 1 1 60 60 ARG N N 51 121.278 121.278 119.899 1.379 18220
1303 1 3 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.116 0.084 18220
1304 1 3 . 1 1 60 60 ARG C C 51 173.303 173.303 174.428 -1.125 18220
1305 1 3 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.456 -0.173 18220
1306 1 3 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.287 -0.049 18220
1307 1 3 . 1 1 60 60 ARG H H 51 8.091 8.091 8.574 -0.483 18220
1308 1 3 . 1 1 61 61 ASP N N 52 121.185 121.185 120.056 1.129 18220
1309 1 3 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.366 0.249 18220
1310 1 3 . 1 1 61 61 ASP C C 52 173.777 173.777 176.420 -2.643 18220
1311 1 3 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.549 -0.570 18220
1312 1 3 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.082 -0.837 18220
1313 1 3 . 1 1 61 61 ASP H H 52 8.261 8.261 8.465 -0.204 18220
1314 1 3 . 1 1 62 62 VAL N N 53 121.902 121.902 123.553 -1.651 18220
1315 1 3 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.932 0.018 18220
1316 1 3 . 1 1 62 62 VAL C C 53 173.279 173.279 175.504 -2.225 18220
1317 1 3 . 1 1 62 62 VAL CA C 53 63.176 63.176 62.206 0.970 18220
1318 1 3 . 1 1 62 62 VAL CB C 53 32.099 32.099 30.526 1.573 18220
1319 1 3 . 1 1 62 62 VAL H H 53 7.997 7.997 8.542 -0.545 18220
1320 1 3 . 1 1 63 63 LYS N N 54 123.522 123.522 125.070 -1.548 18220
1321 1 3 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.201 0.059 18220
1322 1 3 . 1 1 63 63 LYS C C 54 174.481 174.481 178.049 -3.568 18220
1323 1 3 . 1 1 63 63 LYS CA C 54 56.347 56.347 58.838 -2.491 18220
1324 1 3 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.915 -0.816 18220
1325 1 3 . 1 1 63 63 LYS H H 54 8.054 8.054 8.718 -0.664 18220
1326 1 3 . 1 1 64 64 VAL N N 55 120.647 120.647 120.692 -0.045 18220
1327 1 3 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.439 0.508 18220
1328 1 3 . 1 1 64 64 VAL C C 55 174.955 174.955 177.864 -2.909 18220
1329 1 3 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.835 -2.235 18220
1330 1 3 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.494 0.383 18220
1331 1 3 . 1 1 64 64 VAL H H 55 8.225 8.225 8.158 0.067 18220
1332 1 3 . 1 1 65 65 SER N N 56 117.785 117.785 114.104 3.681 18220
1333 1 3 . 1 1 65 65 SER HA H 56 4.390 4.390 4.233 0.157 18220
1334 1 3 . 1 1 65 65 SER C C 56 172.300 172.300 176.650 -4.350 18220
1335 1 3 . 1 1 65 65 SER CA C 56 60.000 60.000 61.708 -1.708 18220
1336 1 3 . 1 1 65 65 SER CB C 56 62.879 62.879 62.839 0.040 18220
1337 1 3 . 1 1 65 65 SER H H 56 8.260 8.260 8.130 0.130 18220
1338 1 3 . 1 1 66 66 LEU N N 57 123.318 123.318 122.687 0.631 18220
1339 1 3 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.167 -0.077 18220
1340 1 3 . 1 1 66 66 LEU C C 57 175.932 175.932 178.523 -2.591 18220
1341 1 3 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.207 -0.705 18220
1342 1 3 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.992 -0.271 18220
1343 1 3 . 1 1 66 66 LEU H H 57 8.091 8.091 7.723 0.368 18220
1344 1 3 . 1 1 67 67 PHE N N 58 118.020 118.020 117.542 0.478 18220
1345 1 3 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.449 -0.119 18220
1346 1 3 . 1 1 67 67 PHE C C 58 174.912 174.912 178.202 -3.290 18220
1347 1 3 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.485 -0.885 18220
1348 1 3 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.505 0.047 18220
1349 1 3 . 1 1 67 67 PHE H H 58 8.066 8.066 8.640 -0.574 18220
1350 1 3 . 1 1 68 68 THR N N 59 115.324 115.324 117.742 -2.418 18220
1351 1 3 . 1 1 68 68 THR HA H 59 4.310 4.310 4.240 0.070 18220
1352 1 3 . 1 1 68 68 THR C C 59 173.380 173.380 176.242 -2.862 18220
1353 1 3 . 1 1 68 68 THR CA C 59 66.313 66.313 67.936 -1.623 18220
1354 1 3 . 1 1 68 68 THR CB C 59 67.700 67.700 68.865 -1.165 18220
1355 1 3 . 1 1 68 68 THR H H 59 8.287 8.287 8.354 -0.067 18220
1356 1 3 . 1 1 69 69 ALA N N 60 123.621 123.621 124.831 -1.210 18220
1357 1 3 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.235 0.045 18220
1358 1 3 . 1 1 69 69 ALA C C 60 176.978 176.978 179.228 -2.250 18220
1359 1 3 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.120 -0.020 18220
1360 1 3 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.216 -0.488 18220
1361 1 3 . 1 1 69 69 ALA H H 60 7.983 7.983 8.437 -0.454 18220
1362 1 3 . 1 1 70 70 PHE N N 61 118.520 118.520 119.660 -1.140 18220
1363 1 3 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.207 0.053 18220
1364 1 3 . 1 1 70 70 PHE C C 61 175.369 175.369 177.255 -1.886 18220
1365 1 3 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.450 -2.271 18220
1366 1 3 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.362 -0.656 18220
1367 1 3 . 1 1 70 70 PHE H H 61 8.007 8.007 8.414 -0.407 18220
1368 1 3 . 1 1 71 71 PHE N N 62 122.314 122.314 119.673 2.641 18220
1369 1 3 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.203 -0.203 18220
1370 1 3 . 1 1 71 71 PHE C C 62 174.697 174.697 177.235 -2.538 18220
1371 1 3 . 1 1 71 71 PHE CA C 62 60.517 60.517 60.827 -0.310 18220
1372 1 3 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.889 -0.119 18220
1373 1 3 . 1 1 71 71 PHE H H 62 8.546 8.546 8.296 0.250 18220
1374 1 3 . 1 1 72 72 LEU N N 63 119.399 119.399 120.581 -1.182 18220
1375 1 3 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.443 0.427 18220
1376 1 3 . 1 1 72 72 LEU C C 63 175.774 175.774 178.522 -2.748 18220
1377 1 3 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.144 -1.219 18220
1378 1 3 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.495 -0.288 18220
1379 1 3 . 1 1 72 72 LEU H H 63 8.396 8.396 8.110 0.286 18220
1380 1 3 . 1 1 73 73 ALA N N 64 120.221 120.221 119.435 0.786 18220
1381 1 3 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.760 0.200 18220
1382 1 3 . 1 1 73 73 ALA C C 64 177.267 177.267 179.393 -2.126 18220
1383 1 3 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.113 -0.513 18220
1384 1 3 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.810 -0.026 18220
1385 1 3 . 1 1 73 73 ALA H H 64 8.025 8.025 8.175 -0.150 18220
1386 1 3 . 1 1 74 74 THR N N 65 113.648 113.648 114.483 -0.835 18220
1387 1 3 . 1 1 74 74 THR HA H 65 3.980 3.980 3.902 0.078 18220
1388 1 3 . 1 1 74 74 THR CA C 65 66.291 66.291 66.683 -0.392 18220
1389 1 3 . 1 1 74 74 THR CB C 65 67.914 67.914 68.683 -0.769 18220
1390 1 3 . 1 1 74 74 THR H H 65 7.717 7.717 7.869 -0.152 18220
1391 1 3 . 1 1 75 75 ILE N N 66 120.291 120.291 119.094 1.197 18220
1392 1 3 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.767 -0.027 18220
1393 1 3 . 1 1 75 75 ILE C C 66 174.951 174.951 176.906 -1.955 18220
1394 1 3 . 1 1 75 75 ILE CA C 66 64.880 64.880 62.173 2.707 18220
1395 1 3 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.035 0.131 18220
1396 1 3 . 1 1 75 75 ILE H H 66 7.738 7.738 7.801 -0.063 18220
1397 1 3 . 1 1 76 76 MET N N 67 117.618 117.618 118.202 -0.584 18220
1398 1 3 . 1 1 76 76 MET HA H 67 4.220 4.220 4.299 -0.079 18220
1399 1 3 . 1 1 76 76 MET C C 67 175.142 175.142 176.819 -1.677 18220
1400 1 3 . 1 1 76 76 MET CA C 67 56.723 56.723 57.467 -0.744 18220
1401 1 3 . 1 1 76 76 MET CB C 67 31.951 31.951 34.094 -2.143 18220
1402 1 3 . 1 1 76 76 MET H H 67 7.823 7.823 7.899 -0.076 18220
1403 1 3 . 1 1 77 77 GLY N N 68 107.110 107.110 108.549 -1.439 18220
1404 1 3 . 1 1 77 77 GLY C C 68 172.260 172.260 173.411 -1.151 18220
1405 1 3 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.184 0.616 18220
1406 1 3 . 1 1 77 77 GLY H H 68 7.937 7.937 8.459 -0.522 18220
1407 1 3 . 1 1 78 78 VAL N N 69 120.431 120.431 118.372 2.059 18220
1408 1 3 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.337 -0.117 18220
1409 1 3 . 1 1 78 78 VAL CA C 69 63.900 63.900 60.616 3.284 18220
1410 1 3 . 1 1 78 78 VAL CB C 69 31.506 31.506 34.602 -3.096 18220
1411 1 3 . 1 1 78 78 VAL H H 69 7.697 7.697 7.792 -0.095 18220
1412 1 3 . 1 1 79 79 ARG N N 70 121.420 121.420 124.003 -2.583 18220
1413 1 3 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.356 -0.546 18220
1414 1 3 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.956 -0.556 18220
1415 1 3 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.944 -0.847 18220
1416 1 3 . 1 1 79 79 ARG H H 70 7.889 7.889 8.261 -0.372 18220
1417 1 3 . 1 1 80 80 PHE N N 71 119.949 119.949 121.400 -1.451 18220
1418 1 3 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.252 0.258 18220
1419 1 3 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.727 -1.127 18220
1420 1 3 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.572 -0.427 18220
1421 1 3 . 1 1 80 80 PHE H H 71 8.101 8.101 8.768 -0.667 18220
1422 1 3 . 1 1 81 81 LYS N N 72 122.193 122.193 115.530 6.663 18220
1423 1 3 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.645 1.155 18220
1424 1 3 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.725 -2.403 18220
1425 1 3 . 1 1 81 81 LYS H H 72 8.090 8.090 7.702 0.388 18220
1426 1 3 . 1 1 82 82 ARG N N 73 119.650 119.650 121.379 -1.729 18220
1427 1 3 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.200 -0.111 18220
1428 1 3 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.237 -1.066 18220
1429 1 3 . 1 1 82 82 ARG H H 73 8.052 8.052 8.694 -0.642 18220
1430 1 3 . 1 1 83 83 SER N N 74 115.734 115.734 118.891 -3.157 18220
1431 1 3 . 1 1 83 83 SER CA C 74 58.355 58.355 58.797 -0.442 18220
1432 1 3 . 1 1 83 83 SER CB C 74 63.404 63.404 63.729 -0.325 18220
1433 1 3 . 1 1 83 83 SER H H 74 7.912 7.912 8.402 -0.490 18220
1434 1 3 . 1 1 84 84 LYS N N 75 122.370 122.370 126.681 -4.311 18220
1435 1 3 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.868 -0.734 18220
1436 1 3 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.474 -0.299 18220
1437 1 3 . 1 1 84 84 LYS H H 75 8.067 8.067 8.599 -0.532 18220
1438 1 3 . 1 1 86 86 ILE N N 77 119.592 119.592 117.738 1.854 18220
1439 1 3 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.835 -0.025 18220
1440 1 3 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.319 2.582 18220
1441 1 3 . 1 1 86 86 ILE CB C 77 39.145 39.145 36.689 2.456 18220
1442 1 3 . 1 1 86 86 ILE H H 77 7.837 7.837 8.018 -0.181 18220
1443 1 3 . 1 1 87 87 MET N N 78 121.645 121.645 121.382 0.263 18220
1444 1 3 . 1 1 87 87 MET CA C 78 52.982 52.982 54.285 -1.303 18220
1445 1 3 . 1 1 87 87 MET CB C 78 32.173 32.173 35.384 -3.211 18220
1446 1 3 . 1 1 87 87 MET H H 78 7.950 7.950 7.818 0.132 18220
1447 1 3 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.636 -0.496 18220
1448 1 3 . 1 1 88 88 PRO C C 79 173.921 173.921 176.079 -2.158 18220
1449 1 3 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.719 0.081 18220
1450 1 3 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.611 1.525 18220
1451 1 3 . 1 1 89 89 ALA N N 80 124.431 124.431 124.246 0.185 18220
1452 1 3 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.147 0.253 18220
1453 1 3 . 1 1 89 89 ALA C C 80 176.234 176.234 179.243 -3.009 18220
1454 1 3 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.960 -1.660 18220
1455 1 3 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.951 -0.453 18220
1456 1 3 . 1 1 89 89 ALA H H 80 8.320 8.320 8.274 0.046 18220
1457 1 3 . 1 1 90 90 GLY N N 81 106.834 106.834 107.417 -0.583 18220
1458 1 3 . 1 1 90 90 GLY C C 81 172.398 172.398 175.954 -3.556 18220
1459 1 3 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.447 -1.847 18220
1460 1 3 . 1 1 90 90 GLY H H 81 8.458 8.458 8.752 -0.294 18220
1461 1 3 . 1 1 91 91 LEU N N 82 121.043 121.043 121.776 -0.733 18220
1462 1 3 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.882 0.318 18220
1463 1 3 . 1 1 91 91 LEU C C 82 174.783 174.783 178.725 -3.942 18220
1464 1 3 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.517 -1.217 18220
1465 1 3 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.900 0.206 18220
1466 1 3 . 1 1 91 91 LEU H H 82 7.687 7.687 7.781 -0.094 18220
1467 1 3 . 1 1 92 92 VAL N N 83 114.737 114.737 118.220 -3.483 18220
1468 1 3 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.485 0.495 18220
1469 1 3 . 1 1 92 92 VAL C C 83 173.634 173.634 177.693 -4.059 18220
1470 1 3 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.134 -3.734 18220
1471 1 3 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.372 0.213 18220
1472 1 3 . 1 1 92 92 VAL H H 83 7.602 7.602 7.798 -0.196 18220
1473 1 3 . 1 1 93 93 ALA N N 84 124.320 124.320 121.408 2.912 18220
1474 1 3 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.090 0.060 18220
1475 1 3 . 1 1 93 93 ALA C C 84 175.746 175.746 179.702 -3.956 18220
1476 1 3 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.277 -1.977 18220
1477 1 3 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.986 0.255 18220
1478 1 3 . 1 1 93 93 ALA H H 84 7.891 7.891 8.086 -0.195 18220
1479 1 3 . 1 1 94 94 GLY N N 85 106.807 106.807 108.537 -1.730 18220
1480 1 3 . 1 1 94 94 GLY C C 85 171.752 171.752 175.943 -4.191 18220
1481 1 3 . 1 1 94 94 GLY CA C 85 45.249 45.249 47.015 -1.766 18220
1482 1 3 . 1 1 94 94 GLY H H 85 8.204 8.204 8.329 -0.125 18220
1483 1 3 . 1 1 95 95 LEU N N 86 121.266 121.266 122.452 -1.186 18220
1484 1 3 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.961 0.419 18220
1485 1 3 . 1 1 95 95 LEU C C 86 173.702 173.702 179.497 -5.795 18220
1486 1 3 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.596 -2.596 18220
1487 1 3 . 1 1 95 95 LEU CB C 86 42.298 42.298 40.707 1.591 18220
1488 1 3 . 1 1 95 95 LEU H H 86 7.718 7.718 8.309 -0.591 18220
1489 1 3 . 1 1 96 96 SER N N 87 115.658 115.658 114.657 1.001 18220
1490 1 3 . 1 1 96 96 SER HA H 87 4.370 4.370 4.108 0.262 18220
1491 1 3 . 1 1 96 96 SER C C 87 172.479 172.479 176.657 -4.178 18220
1492 1 3 . 1 1 96 96 SER CA C 87 57.200 57.200 62.039 -4.839 18220
1493 1 3 . 1 1 96 96 SER CB C 87 64.174 64.174 63.072 1.102 18220
1494 1 3 . 1 1 96 96 SER H H 87 7.659 7.659 8.090 -0.431 18220
1495 1 3 . 1 1 97 97 LEU N N 88 123.720 123.720 122.648 1.072 18220
1496 1 3 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.889 0.711 18220
1497 1 3 . 1 1 97 97 LEU C C 88 175.932 175.932 178.658 -2.726 18220
1498 1 3 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.504 -0.904 18220
1499 1 3 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.845 -0.445 18220
1500 1 3 . 1 1 97 97 LEU H H 88 8.733 8.733 8.058 0.675 18220
1501 1 3 . 1 1 98 98 MET N N 89 116.684 116.684 117.679 -0.995 18220
1502 1 3 . 1 1 98 98 MET HA H 89 4.280 4.280 3.893 0.387 18220
1503 1 3 . 1 1 98 98 MET C C 89 175.789 175.789 178.797 -3.008 18220
1504 1 3 . 1 1 98 98 MET CA C 89 56.915 56.915 58.992 -2.077 18220
1505 1 3 . 1 1 98 98 MET CB C 89 31.007 31.007 32.053 -1.046 18220
1506 1 3 . 1 1 98 98 MET H H 89 8.342 8.342 8.570 -0.228 18220
1507 1 3 . 1 1 99 99 MET N N 90 119.182 119.182 118.648 0.534 18220
1508 1 3 . 1 1 99 99 MET HA H 90 4.110 4.110 3.991 0.119 18220
1509 1 3 . 1 1 99 99 MET C C 90 175.588 175.588 178.543 -2.955 18220
1510 1 3 . 1 1 99 99 MET CA C 90 57.951 57.951 59.426 -1.475 18220
1511 1 3 . 1 1 99 99 MET CB C 90 32.226 32.226 32.498 -0.272 18220
1512 1 3 . 1 1 99 99 MET H H 90 7.720 7.720 8.004 -0.284 18220
1513 1 3 . 1 1 100 100 ILE N N 91 119.077 119.077 119.837 -0.760 18220
1514 1 3 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.609 0.501 18220
1515 1 3 . 1 1 100 100 ILE C C 91 174.634 174.634 178.767 -4.133 18220
1516 1 3 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.320 -1.220 18220
1517 1 3 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.657 -0.514 18220
1518 1 3 . 1 1 100 100 ILE H H 91 7.662 7.662 8.150 -0.488 18220
1519 1 3 . 1 1 101 101 LEU N N 92 119.646 119.646 119.355 0.291 18220
1520 1 3 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.962 0.568 18220
1521 1 3 . 1 1 101 101 LEU C C 92 175.430 175.430 179.240 -3.810 18220
1522 1 3 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.942 -0.142 18220
1523 1 3 . 1 1 101 101 LEU CB C 92 40.758 40.758 40.437 0.321 18220
1524 1 3 . 1 1 101 101 LEU H H 92 8.142 8.142 8.311 -0.169 18220
1525 1 3 . 1 1 102 102 ARG N N 93 116.394 116.394 119.532 -3.138 18220
1526 1 3 . 1 1 102 102 ARG HA H 93 4.140 4.140 3.995 0.145 18220
1527 1 3 . 1 1 102 102 ARG C C 93 175.961 175.961 178.390 -2.429 18220
1528 1 3 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.814 0.286 18220
1529 1 3 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.483 -0.079 18220
1530 1 3 . 1 1 102 102 ARG H H 93 7.893 7.893 8.328 -0.435 18220
1531 1 3 . 1 1 103 103 LEU N N 94 119.114 119.114 119.398 -0.284 18220
1532 1 3 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.032 0.078 18220
1533 1 3 . 1 1 103 103 LEU C C 94 175.889 175.889 178.723 -2.834 18220
1534 1 3 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.275 -0.975 18220
1535 1 3 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.191 0.105 18220
1536 1 3 . 1 1 103 103 LEU H H 94 7.622 7.622 8.119 -0.497 18220
1537 1 3 . 1 1 104 104 VAL N N 95 117.704 117.704 116.955 0.749 18220
1538 1 3 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.839 -0.309 18220
1539 1 3 . 1 1 104 104 VAL C C 95 175.042 175.042 178.251 -3.209 18220
1540 1 3 . 1 1 104 104 VAL CA C 95 66.419 66.419 66.037 0.382 18220
1541 1 3 . 1 1 104 104 VAL CB C 95 31.357 31.357 32.013 -0.656 18220
1542 1 3 . 1 1 104 104 VAL H H 95 8.026 8.026 7.272 0.754 18220
1543 1 3 . 1 1 105 105 LEU N N 96 117.185 117.185 121.291 -4.106 18220
1544 1 3 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.917 0.063 18220
1545 1 3 . 1 1 105 105 LEU C C 96 176.579 176.579 179.565 -2.986 18220
1546 1 3 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.837 -1.037 18220
1547 1 3 . 1 1 105 105 LEU CB C 96 40.951 40.951 40.895 0.056 18220
1548 1 3 . 1 1 105 105 LEU H H 96 7.893 7.893 8.152 -0.259 18220
1549 1 3 . 1 1 106 106 LEU N N 97 118.471 118.471 120.390 -1.919 18220
1550 1 3 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.955 0.225 18220
1551 1 3 . 1 1 106 106 LEU C C 97 175.802 175.802 178.807 -3.005 18220
1552 1 3 . 1 1 106 106 LEU CA C 97 56.300 56.300 58.313 -2.013 18220
1553 1 3 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.940 -0.348 18220
1554 1 3 . 1 1 106 106 LEU H H 97 7.545 7.545 8.409 -0.864 18220
1555 1 3 . 1 1 107 107 LEU N N 98 118.162 118.162 118.856 -0.694 18220
1556 1 3 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.081 0.149 18220
1557 1 3 . 1 1 107 107 LEU C C 98 174.174 174.174 177.759 -3.585 18220
1558 1 3 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.967 -0.684 18220
1559 1 3 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.391 -0.029 18220
1560 1 3 . 1 1 107 107 LEU H H 98 7.688 7.688 7.979 -0.291 18220
1561 1 4 . 1 1 11 11 ASP N N 2 120.536 120.536 124.172 -3.636 18220
1562 1 4 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.205 1.713 18220
1563 1 4 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.756 -3.797 18220
1564 1 4 . 1 1 11 11 ASP H H 2 7.863 7.863 8.300 -0.437 18220
1565 1 4 . 1 1 12 12 LEU N N 3 121.414 121.414 120.405 1.009 18220
1566 1 4 . 1 1 12 12 LEU C C 3 176.162 176.162 175.572 0.590 18220
1567 1 4 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.078 2.522 18220
1568 1 4 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.879 -1.222 18220
1569 1 4 . 1 1 12 12 LEU H H 3 8.285 8.285 8.295 -0.010 18220
1570 1 4 . 1 1 13 13 ILE N N 4 118.854 118.854 123.040 -4.186 18220
1571 1 4 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.415 -0.675 18220
1572 1 4 . 1 1 13 13 ILE C C 4 175.228 175.228 175.781 -0.553 18220
1573 1 4 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.596 2.904 18220
1574 1 4 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.876 -1.774 18220
1575 1 4 . 1 1 13 13 ILE H H 4 8.031 8.031 8.419 -0.388 18220
1576 1 4 . 1 1 14 14 GLY N N 5 107.478 107.478 109.990 -2.512 18220
1577 1 4 . 1 1 14 14 GLY C C 5 174.424 174.424 173.889 0.535 18220
1578 1 4 . 1 1 14 14 GLY CA C 5 47.059 47.059 44.729 2.330 18220
1579 1 4 . 1 1 14 14 GLY H H 5 8.148 8.148 8.004 0.144 18220
1580 1 4 . 1 1 15 15 PHE N N 6 122.774 122.774 123.159 -0.385 18220
1581 1 4 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.444 0.036 18220
1582 1 4 . 1 1 15 15 PHE C C 6 175.113 175.113 176.740 -1.627 18220
1583 1 4 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.722 0.294 18220
1584 1 4 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.631 -0.857 18220
1585 1 4 . 1 1 15 15 PHE H H 6 8.194 8.194 8.457 -0.263 18220
1586 1 4 . 1 1 16 16 GLY N N 7 107.938 107.938 107.644 0.294 18220
1587 1 4 . 1 1 16 16 GLY C C 7 171.838 171.838 175.860 -4.022 18220
1588 1 4 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.436 -0.336 18220
1589 1 4 . 1 1 16 16 GLY H H 7 8.697 8.697 8.592 0.105 18220
1590 1 4 . 1 1 17 17 TYR N N 8 121.785 121.785 123.153 -1.368 18220
1591 1 4 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.088 0.062 18220
1592 1 4 . 1 1 17 17 TYR C C 8 174.180 174.180 177.532 -3.352 18220
1593 1 4 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.975 0.325 18220
1594 1 4 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.256 -0.297 18220
1595 1 4 . 1 1 17 17 TYR H H 8 8.710 8.710 8.317 0.393 18220
1596 1 4 . 1 1 18 18 ALA N N 9 120.233 120.233 120.358 -0.125 18220
1597 1 4 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.911 0.039 18220
1598 1 4 . 1 1 18 18 ALA C C 9 178.059 178.059 178.618 -0.559 18220
1599 1 4 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.046 -0.174 18220
1600 1 4 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.639 -0.077 18220
1601 1 4 . 1 1 18 18 ALA H H 9 7.843 7.843 8.180 -0.337 18220
1602 1 4 . 1 1 19 19 ALA N N 10 121.797 121.797 121.327 0.470 18220
1603 1 4 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.037 -0.087 18220
1604 1 4 . 1 1 19 19 ALA C C 10 176.191 176.191 179.567 -3.376 18220
1605 1 4 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.419 0.181 18220
1606 1 4 . 1 1 19 19 ALA CB C 10 17.562 17.562 17.981 -0.419 18220
1607 1 4 . 1 1 19 19 ALA H H 10 8.212 8.212 7.533 0.679 18220
1608 1 4 . 1 1 20 20 LEU N N 11 119.442 119.442 120.702 -1.260 18220
1609 1 4 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.064 -0.127 18220
1610 1 4 . 1 1 20 20 LEU C C 11 176.694 176.694 178.745 -2.051 18220
1611 1 4 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.701 0.099 18220
1612 1 4 . 1 1 20 20 LEU CB C 11 41.222 41.222 40.893 0.329 18220
1613 1 4 . 1 1 20 20 LEU H H 11 8.065 8.065 7.912 0.153 18220
1614 1 4 . 1 1 21 21 VAL N N 12 118.323 118.323 119.004 -0.681 18220
1615 1 4 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.446 0.194 18220
1616 1 4 . 1 1 21 21 VAL C C 12 176.536 176.536 177.809 -1.273 18220
1617 1 4 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.414 -2.014 18220
1618 1 4 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.753 -0.618 18220
1619 1 4 . 1 1 21 21 VAL H H 12 8.051 8.051 8.259 -0.208 18220
1620 1 4 . 1 1 22 22 THR N N 13 118.298 118.298 116.491 1.807 18220
1621 1 4 . 1 1 22 22 THR HA H 13 4.660 4.660 3.825 0.835 18220
1622 1 4 . 1 1 22 22 THR C C 13 173.734 173.734 176.617 -2.883 18220
1623 1 4 . 1 1 22 22 THR CA C 13 66.300 66.300 66.958 -0.658 18220
1624 1 4 . 1 1 22 22 THR CB C 13 67.775 67.775 68.748 -0.973 18220
1625 1 4 . 1 1 22 22 THR H H 13 7.944 7.944 8.004 -0.060 18220
1626 1 4 . 1 1 23 23 PHE N N 14 121.328 121.328 121.538 -0.210 18220
1627 1 4 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.123 0.217 18220
1628 1 4 . 1 1 23 23 PHE C C 14 174.783 174.783 177.617 -2.834 18220
1629 1 4 . 1 1 23 23 PHE CA C 14 60.500 60.500 60.954 -0.454 18220
1630 1 4 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.638 -0.012 18220
1631 1 4 . 1 1 23 23 PHE H H 14 8.567 8.567 8.193 0.374 18220
1632 1 4 . 1 1 24 24 GLY N N 15 106.871 106.871 106.558 0.313 18220
1633 1 4 . 1 1 24 24 GLY C C 15 172.858 172.858 176.038 -3.180 18220
1634 1 4 . 1 1 24 24 GLY CA C 15 46.900 46.900 46.941 -0.041 18220
1635 1 4 . 1 1 24 24 GLY H H 15 8.475 8.475 8.354 0.121 18220
1636 1 4 . 1 1 25 25 SER N N 16 116.214 116.214 117.518 -1.304 18220
1637 1 4 . 1 1 25 25 SER HA H 16 4.280 4.280 4.050 0.230 18220
1638 1 4 . 1 1 25 25 SER CA C 16 60.300 60.300 61.489 -1.189 18220
1639 1 4 . 1 1 25 25 SER CB C 16 62.879 62.879 63.220 -0.341 18220
1640 1 4 . 1 1 25 25 SER H H 16 7.963 7.963 8.220 -0.257 18220
1641 1 4 . 1 1 26 26 ILE N N 17 121.024 121.024 120.928 0.096 18220
1642 1 4 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.699 0.247 18220
1643 1 4 . 1 1 26 26 ILE C C 17 173.935 173.935 178.791 -4.856 18220
1644 1 4 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.831 -1.731 18220
1645 1 4 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.221 0.886 18220
1646 1 4 . 1 1 26 26 ILE H H 17 7.676 7.676 8.407 -0.731 18220
1647 1 4 . 1 1 27 27 PHE N N 18 117.142 117.142 120.385 -3.243 18220
1648 1 4 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.170 0.260 18220
1649 1 4 . 1 1 27 27 PHE C C 18 173.504 173.504 177.373 -3.869 18220
1650 1 4 . 1 1 27 27 PHE CA C 18 58.500 58.500 61.081 -2.581 18220
1651 1 4 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.671 0.103 18220
1652 1 4 . 1 1 27 27 PHE H H 18 7.703 7.703 8.296 -0.593 18220
1653 1 4 . 1 1 28 28 GLY N N 19 107.303 107.303 104.600 2.703 18220
1654 1 4 . 1 1 28 28 GLY C C 19 171.593 171.593 174.038 -2.445 18220
1655 1 4 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.042 0.558 18220
1656 1 4 . 1 1 28 28 GLY H H 19 7.722 7.722 7.796 -0.074 18220
1657 1 4 . 1 1 29 29 TYR N N 20 119.862 119.862 119.592 0.270 18220
1658 1 4 . 1 1 29 29 TYR HA H 20 4.392 4.392 3.999 0.393 18220
1659 1 4 . 1 1 29 29 TYR C C 20 173.174 173.174 174.466 -1.292 18220
1660 1 4 . 1 1 29 29 TYR CA C 20 58.500 58.500 59.242 -0.742 18220
1661 1 4 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.432 0.972 18220
1662 1 4 . 1 1 29 29 TYR H H 20 7.880 7.880 7.736 0.144 18220
1663 1 4 . 1 1 30 30 LYS N N 21 122.335 122.335 127.933 -5.598 18220
1664 1 4 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.398 -0.008 18220
1665 1 4 . 1 1 30 30 LYS C C 21 173.547 173.547 175.006 -1.459 18220
1666 1 4 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.765 -0.965 18220
1667 1 4 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.728 -0.332 18220
1668 1 4 . 1 1 30 30 LYS H H 21 7.934 7.934 8.320 -0.386 18220
1669 1 4 . 1 1 31 31 ARG N N 22 120.612 120.612 118.837 1.775 18220
1670 1 4 . 1 1 31 31 ARG C C 22 173.547 173.547 175.453 -1.906 18220
1671 1 4 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.434 -0.600 18220
1672 1 4 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.221 -0.120 18220
1673 1 4 . 1 1 31 31 ARG H H 22 7.905 7.905 7.677 0.228 18220
1674 1 4 . 1 1 32 32 ARG N N 23 121.748 121.748 123.121 -1.373 18220
1675 1 4 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.132 0.178 18220
1676 1 4 . 1 1 32 32 ARG C C 23 173.863 173.863 175.870 -2.007 18220
1677 1 4 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.964 -1.164 18220
1678 1 4 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.016 0.229 18220
1679 1 4 . 1 1 32 32 ARG H H 23 8.175 8.175 8.064 0.111 18220
1680 1 4 . 1 1 33 33 GLY N N 24 109.528 109.528 111.880 -2.352 18220
1681 1 4 . 1 1 33 33 GLY C C 24 171.752 171.752 172.650 -0.898 18220
1682 1 4 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.458 0.442 18220
1683 1 4 . 1 1 33 33 GLY H H 24 8.264 8.264 8.194 0.070 18220
1684 1 4 . 1 1 34 34 GLY N N 25 108.563 108.563 109.956 -1.393 18220
1685 1 4 . 1 1 34 34 GLY C C 25 171.701 171.701 174.000 -2.299 18220
1686 1 4 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.177 -0.577 18220
1687 1 4 . 1 1 34 34 GLY H H 25 8.208 8.208 7.890 0.318 18220
1688 1 4 . 1 1 35 35 VAL N N 26 121.164 121.164 125.558 -4.394 18220
1689 1 4 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.071 -0.061 18220
1690 1 4 . 1 1 35 35 VAL C C 26 175.888 175.888 174.381 1.507 18220
1691 1 4 . 1 1 35 35 VAL CA C 26 63.900 63.900 61.485 2.415 18220
1692 1 4 . 1 1 35 35 VAL CB C 26 30.690 30.690 32.657 -1.967 18220
1693 1 4 . 1 1 35 35 VAL H H 26 8.485 8.485 8.118 0.367 18220
1694 1 4 . 1 1 36 36 PRO C C 27 177.660 177.660 175.804 1.856 18220
1695 1 4 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.255 -1.408 18220
1696 1 4 . 1 1 37 37 SER N N 28 116.023 116.023 115.372 0.651 18220
1697 1 4 . 1 1 37 37 SER HA H 28 4.280 4.280 4.348 -0.068 18220
1698 1 4 . 1 1 37 37 SER CA C 28 61.100 61.100 58.685 2.415 18220
1699 1 4 . 1 1 37 37 SER H H 28 7.948 7.948 8.118 -0.170 18220
1700 1 4 . 1 1 38 38 LEU N N 29 124.029 124.029 124.486 -0.457 18220
1701 1 4 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.007 0.163 18220
1702 1 4 . 1 1 38 38 LEU C C 29 176.132 176.132 178.196 -2.064 18220
1703 1 4 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.326 -0.826 18220
1704 1 4 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.969 0.069 18220
1705 1 4 . 1 1 38 38 LEU H H 29 8.201 8.201 8.199 0.002 18220
1706 1 4 . 1 1 39 39 ILE N N 30 117.098 117.098 118.747 -1.649 18220
1707 1 4 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.618 0.752 18220
1708 1 4 . 1 1 39 39 ILE C C 30 176.478 176.478 177.045 -0.567 18220
1709 1 4 . 1 1 39 39 ILE CA C 30 63.079 63.079 65.257 -2.178 18220
1710 1 4 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.737 -0.764 18220
1711 1 4 . 1 1 39 39 ILE H H 30 7.662 7.662 7.648 0.014 18220
1712 1 4 . 1 1 40 40 ALA N N 31 122.447 122.447 121.453 0.994 18220
1713 1 4 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.062 -0.028 18220
1714 1 4 . 1 1 40 40 ALA C C 31 177.067 177.067 179.956 -2.889 18220
1715 1 4 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.301 0.661 18220
1716 1 4 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.672 0.184 18220
1717 1 4 . 1 1 40 40 ALA H H 31 8.096 8.096 7.685 0.411 18220
1718 1 4 . 1 1 41 41 GLY N N 32 104.056 104.056 106.724 -2.668 18220
1719 1 4 . 1 1 41 41 GLY C C 32 174.251 174.251 176.196 -1.945 18220
1720 1 4 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.886 -0.386 18220
1721 1 4 . 1 1 41 41 GLY H H 32 8.123 8.123 8.167 -0.044 18220
1722 1 4 . 1 1 42 42 LEU N N 33 123.250 123.250 123.750 -0.500 18220
1723 1 4 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.177 -0.320 18220
1724 1 4 . 1 1 42 42 LEU C C 33 176.033 176.033 178.961 -2.928 18220
1725 1 4 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.575 -0.907 18220
1726 1 4 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.247 0.474 18220
1727 1 4 . 1 1 42 42 LEU H H 33 7.914 7.914 8.117 -0.203 18220
1728 1 4 . 1 1 43 43 PHE N N 34 119.757 119.757 118.976 0.781 18220
1729 1 4 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.162 0.038 18220
1730 1 4 . 1 1 43 43 PHE C C 34 174.374 174.374 178.176 -3.802 18220
1731 1 4 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.861 -2.985 18220
1732 1 4 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.691 0.143 18220
1733 1 4 . 1 1 43 43 PHE H H 34 8.287 8.287 8.660 -0.373 18220
1734 1 4 . 1 1 44 44 VAL N N 35 117.791 117.791 119.669 -1.878 18220
1735 1 4 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.645 -0.035 18220
1736 1 4 . 1 1 44 44 VAL C C 35 176.205 176.205 178.374 -2.169 18220
1737 1 4 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.656 -3.097 18220
1738 1 4 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.142 0.290 18220
1739 1 4 . 1 1 44 44 VAL H H 35 8.235 8.235 8.398 -0.163 18220
1740 1 4 . 1 1 45 45 GLY N N 36 108.551 108.551 107.328 1.223 18220
1741 1 4 . 1 1 45 45 GLY C C 36 173.749 173.749 175.980 -2.231 18220
1742 1 4 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.541 -1.458 18220
1743 1 4 . 1 1 45 45 GLY H H 36 8.178 8.178 8.398 -0.220 18220
1744 1 4 . 1 1 46 46 CYS N N 37 121.173 121.173 121.231 -0.058 18220
1745 1 4 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.100 0.080 18220
1746 1 4 . 1 1 46 46 CYS C C 37 173.710 173.710 176.952 -3.242 18220
1747 1 4 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.126 -1.126 18220
1748 1 4 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.283 33.000 18220
1749 1 4 . 1 1 46 46 CYS H H 37 8.253 8.253 8.034 0.219 18220
1750 1 4 . 1 1 47 47 LEU N N 38 120.283 120.283 120.315 -0.032 18220
1751 1 4 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.928 0.132 18220
1752 1 4 . 1 1 47 47 LEU C C 38 176.679 176.679 178.959 -2.280 18220
1753 1 4 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.963 -1.936 18220
1754 1 4 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.301 0.163 18220
1755 1 4 . 1 1 47 47 LEU H H 38 7.965 7.965 8.327 -0.362 18220
1756 1 4 . 1 1 48 48 ALA N N 39 122.249 122.249 120.049 2.200 18220
1757 1 4 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.039 0.103 18220
1758 1 4 . 1 1 48 48 ALA C C 39 177.915 177.915 179.883 -1.968 18220
1759 1 4 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.258 -1.541 18220
1760 1 4 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.198 -0.213 18220
1761 1 4 . 1 1 48 48 ALA H H 39 8.066 8.066 8.271 -0.205 18220
1762 1 4 . 1 1 49 49 GLY N N 40 107.377 107.377 107.248 0.129 18220
1763 1 4 . 1 1 49 49 GLY C C 40 172.527 172.527 175.862 -3.335 18220
1764 1 4 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.059 -1.609 18220
1765 1 4 . 1 1 49 49 GLY H H 40 8.172 8.172 8.200 -0.028 18220
1766 1 4 . 1 1 50 50 TYR N N 41 122.409 122.409 123.571 -1.162 18220
1767 1 4 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.042 -0.243 18220
1768 1 4 . 1 1 50 50 TYR C C 41 174.208 174.208 178.272 -4.064 18220
1769 1 4 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.100 -1.855 18220
1770 1 4 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.207 -0.271 18220
1771 1 4 . 1 1 50 50 TYR H H 41 7.800 7.800 8.398 -0.598 18220
1772 1 4 . 1 1 51 51 GLY N N 42 106.935 106.935 105.962 0.973 18220
1773 1 4 . 1 1 51 51 GLY C C 42 172.642 172.642 175.611 -2.969 18220
1774 1 4 . 1 1 51 51 GLY CA C 42 46.265 46.265 47.024 -0.759 18220
1775 1 4 . 1 1 51 51 GLY H H 42 8.199 8.199 8.242 -0.043 18220
1776 1 4 . 1 1 52 52 ALA N N 43 123.018 123.018 125.495 -2.477 18220
1777 1 4 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.016 0.134 18220
1778 1 4 . 1 1 52 52 ALA C C 43 176.398 176.398 178.871 -2.473 18220
1779 1 4 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.428 -1.545 18220
1780 1 4 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.366 -0.125 18220
1781 1 4 . 1 1 52 52 ALA H H 43 7.758 7.758 8.267 -0.509 18220
1782 1 4 . 1 1 53 53 TYR N N 44 119.664 119.664 118.020 1.644 18220
1783 1 4 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.199 0.119 18220
1784 1 4 . 1 1 53 53 TYR C C 44 174.180 174.180 178.173 -3.993 18220
1785 1 4 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.528 -2.935 18220
1786 1 4 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.590 -0.397 18220
1787 1 4 . 1 1 53 53 TYR H H 44 7.920 7.920 8.108 -0.188 18220
1788 1 4 . 1 1 54 54 ARG N N 45 119.516 119.516 118.937 0.579 18220
1789 1 4 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.151 -0.221 18220
1790 1 4 . 1 1 54 54 ARG C C 45 174.423 174.423 177.718 -3.295 18220
1791 1 4 . 1 1 54 54 ARG CA C 45 56.027 56.027 58.504 -2.477 18220
1792 1 4 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.485 -1.312 18220
1793 1 4 . 1 1 54 54 ARG H H 45 7.956 7.956 8.057 -0.101 18220
1794 1 4 . 1 1 55 55 VAL N N 46 116.437 116.437 121.644 -5.207 18220
1795 1 4 . 1 1 55 55 VAL HA H 46 4.060 4.060 4.182 -0.122 18220
1796 1 4 . 1 1 55 55 VAL C C 46 173.806 173.806 174.956 -1.150 18220
1797 1 4 . 1 1 55 55 VAL CA C 46 62.300 62.300 60.898 1.403 18220
1798 1 4 . 1 1 55 55 VAL CB C 46 31.521 31.521 30.011 1.510 18220
1799 1 4 . 1 1 55 55 VAL H H 46 7.489 7.489 8.567 -1.078 18220
1800 1 4 . 1 1 56 56 SER N N 47 117.185 117.185 119.917 -2.732 18220
1801 1 4 . 1 1 56 56 SER HA H 47 4.401 4.401 4.433 -0.032 18220
1802 1 4 . 1 1 56 56 SER C C 47 172.074 172.074 174.427 -2.353 18220
1803 1 4 . 1 1 56 56 SER CA C 47 58.133 58.133 59.011 -0.878 18220
1804 1 4 . 1 1 56 56 SER CB C 47 63.468 63.468 64.242 -0.774 18220
1805 1 4 . 1 1 56 56 SER H H 47 7.728 7.728 7.861 -0.133 18220
1806 1 4 . 1 1 57 57 ASN N N 48 121.049 121.049 120.896 0.153 18220
1807 1 4 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.650 -0.060 18220
1808 1 4 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.238 -0.638 18220
1809 1 4 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.619 0.022 18220
1810 1 4 . 1 1 57 57 ASN H H 48 8.228 8.228 8.599 -0.371 18220
1811 1 4 . 1 1 58 58 ASP N N 49 120.276 120.276 119.960 0.316 18220
1812 1 4 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.545 -0.015 18220
1813 1 4 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.568 -0.366 18220
1814 1 4 . 1 1 58 58 ASP CB C 49 40.374 40.374 40.976 -0.602 18220
1815 1 4 . 1 1 58 58 ASP H H 49 8.192 8.192 8.360 -0.168 18220
1816 1 4 . 1 1 59 59 LYS N N 50 120.660 120.660 119.761 0.899 18220
1817 1 4 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.876 0.324 18220
1818 1 4 . 1 1 59 59 LYS C C 50 173.474 173.474 175.274 -1.800 18220
1819 1 4 . 1 1 59 59 LYS CA C 50 56.300 56.300 57.614 -1.314 18220
1820 1 4 . 1 1 59 59 LYS CB C 50 32.034 32.034 32.807 -0.773 18220
1821 1 4 . 1 1 59 59 LYS H H 50 8.003 8.003 8.190 -0.187 18220
1822 1 4 . 1 1 60 60 ARG N N 51 121.278 121.278 118.083 3.195 18220
1823 1 4 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.283 -0.083 18220
1824 1 4 . 1 1 60 60 ARG C C 51 173.303 173.303 173.696 -0.393 18220
1825 1 4 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.106 0.177 18220
1826 1 4 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.728 -1.490 18220
1827 1 4 . 1 1 60 60 ARG H H 51 8.091 8.091 8.165 -0.074 18220
1828 1 4 . 1 1 61 61 ASP N N 52 121.185 121.185 127.427 -6.242 18220
1829 1 4 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.454 0.161 18220
1830 1 4 . 1 1 61 61 ASP C C 52 173.777 173.777 177.502 -3.725 18220
1831 1 4 . 1 1 61 61 ASP CA C 52 53.979 53.979 56.132 -2.153 18220
1832 1 4 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.395 -1.150 18220
1833 1 4 . 1 1 61 61 ASP H H 52 8.261 8.261 8.721 -0.460 18220
1834 1 4 . 1 1 62 62 VAL N N 53 121.902 121.902 124.058 -2.156 18220
1835 1 4 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.426 0.524 18220
1836 1 4 . 1 1 62 62 VAL C C 53 173.279 173.279 177.861 -4.582 18220
1837 1 4 . 1 1 62 62 VAL CA C 53 63.176 63.176 65.879 -2.703 18220
1838 1 4 . 1 1 62 62 VAL CB C 53 32.099 32.099 30.675 1.424 18220
1839 1 4 . 1 1 62 62 VAL H H 53 7.997 7.997 8.456 -0.459 18220
1840 1 4 . 1 1 63 63 LYS N N 54 123.522 123.522 120.206 3.316 18220
1841 1 4 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.010 0.251 18220
1842 1 4 . 1 1 63 63 LYS C C 54 174.481 174.481 178.599 -4.118 18220
1843 1 4 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.353 -3.006 18220
1844 1 4 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.241 -0.142 18220
1845 1 4 . 1 1 63 63 LYS H H 54 8.054 8.054 8.072 -0.018 18220
1846 1 4 . 1 1 64 64 VAL N N 55 120.647 120.647 119.298 1.349 18220
1847 1 4 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.431 0.516 18220
1848 1 4 . 1 1 64 64 VAL C C 55 174.955 174.955 177.375 -2.420 18220
1849 1 4 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.522 -1.923 18220
1850 1 4 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.790 0.087 18220
1851 1 4 . 1 1 64 64 VAL H H 55 8.225 8.225 8.541 -0.316 18220
1852 1 4 . 1 1 65 65 SER N N 56 117.785 117.785 114.429 3.356 18220
1853 1 4 . 1 1 65 65 SER HA H 56 4.390 4.390 4.130 0.260 18220
1854 1 4 . 1 1 65 65 SER C C 56 172.300 172.300 176.671 -4.371 18220
1855 1 4 . 1 1 65 65 SER CA C 56 60.000 60.000 61.735 -1.735 18220
1856 1 4 . 1 1 65 65 SER CB C 56 62.879 62.879 62.772 0.107 18220
1857 1 4 . 1 1 65 65 SER H H 56 8.260 8.260 7.973 0.287 18220
1858 1 4 . 1 1 66 66 LEU N N 57 123.318 123.318 122.036 1.282 18220
1859 1 4 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.144 -0.054 18220
1860 1 4 . 1 1 66 66 LEU C C 57 175.932 175.932 179.502 -3.570 18220
1861 1 4 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.129 -0.627 18220
1862 1 4 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.392 0.328 18220
1863 1 4 . 1 1 66 66 LEU H H 57 8.091 8.091 7.682 0.409 18220
1864 1 4 . 1 1 67 67 PHE N N 58 118.020 118.020 117.565 0.455 18220
1865 1 4 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.443 -0.113 18220
1866 1 4 . 1 1 67 67 PHE C C 58 174.912 174.912 178.589 -3.677 18220
1867 1 4 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.363 -0.763 18220
1868 1 4 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.332 0.220 18220
1869 1 4 . 1 1 67 67 PHE H H 58 8.066 8.066 8.743 -0.677 18220
1870 1 4 . 1 1 68 68 THR N N 59 115.324 115.324 117.896 -2.572 18220
1871 1 4 . 1 1 68 68 THR HA H 59 4.310 4.310 4.167 0.143 18220
1872 1 4 . 1 1 68 68 THR C C 59 173.380 173.380 176.451 -3.071 18220
1873 1 4 . 1 1 68 68 THR CA C 59 66.313 66.313 67.687 -1.374 18220
1874 1 4 . 1 1 68 68 THR CB C 59 67.700 67.700 68.918 -1.218 18220
1875 1 4 . 1 1 68 68 THR H H 59 8.287 8.287 8.328 -0.041 18220
1876 1 4 . 1 1 69 69 ALA N N 60 123.621 123.621 124.086 -0.465 18220
1877 1 4 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.267 0.013 18220
1878 1 4 . 1 1 69 69 ALA C C 60 176.978 176.978 179.379 -2.401 18220
1879 1 4 . 1 1 69 69 ALA CA C 60 55.100 55.100 54.991 0.109 18220
1880 1 4 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.155 -0.427 18220
1881 1 4 . 1 1 69 69 ALA H H 60 7.983 7.983 8.577 -0.594 18220
1882 1 4 . 1 1 70 70 PHE N N 61 118.520 118.520 120.675 -2.155 18220
1883 1 4 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.148 0.112 18220
1884 1 4 . 1 1 70 70 PHE C C 61 175.369 175.369 176.841 -1.472 18220
1885 1 4 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.981 -1.802 18220
1886 1 4 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.269 -0.563 18220
1887 1 4 . 1 1 70 70 PHE H H 61 8.007 8.007 8.295 -0.288 18220
1888 1 4 . 1 1 71 71 PHE N N 62 122.314 122.314 119.699 2.615 18220
1889 1 4 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.062 -0.062 18220
1890 1 4 . 1 1 71 71 PHE C C 62 174.697 174.697 177.388 -2.691 18220
1891 1 4 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.799 -1.282 18220
1892 1 4 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.252 -0.482 18220
1893 1 4 . 1 1 71 71 PHE H H 62 8.546 8.546 8.326 0.220 18220
1894 1 4 . 1 1 72 72 LEU N N 63 119.399 119.399 120.376 -0.977 18220
1895 1 4 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.752 0.118 18220
1896 1 4 . 1 1 72 72 LEU C C 63 175.774 175.774 178.514 -2.740 18220
1897 1 4 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.575 -1.650 18220
1898 1 4 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.851 -0.644 18220
1899 1 4 . 1 1 72 72 LEU H H 63 8.396 8.396 8.359 0.037 18220
1900 1 4 . 1 1 73 73 ALA N N 64 120.221 120.221 120.125 0.096 18220
1901 1 4 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.796 0.164 18220
1902 1 4 . 1 1 73 73 ALA C C 64 177.267 177.267 179.349 -2.082 18220
1903 1 4 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.413 -0.813 18220
1904 1 4 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.883 -0.099 18220
1905 1 4 . 1 1 73 73 ALA H H 64 8.025 8.025 8.319 -0.294 18220
1906 1 4 . 1 1 74 74 THR N N 65 113.648 113.648 114.379 -0.731 18220
1907 1 4 . 1 1 74 74 THR HA H 65 3.980 3.980 3.850 0.130 18220
1908 1 4 . 1 1 74 74 THR CA C 65 66.291 66.291 66.956 -0.665 18220
1909 1 4 . 1 1 74 74 THR CB C 65 67.914 67.914 68.430 -0.516 18220
1910 1 4 . 1 1 74 74 THR H H 65 7.717 7.717 7.807 -0.090 18220
1911 1 4 . 1 1 75 75 ILE N N 66 120.291 120.291 119.233 1.058 18220
1912 1 4 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.635 0.105 18220
1913 1 4 . 1 1 75 75 ILE C C 66 174.951 174.951 177.023 -2.072 18220
1914 1 4 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.600 1.280 18220
1915 1 4 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.876 -0.710 18220
1916 1 4 . 1 1 75 75 ILE H H 66 7.738 7.738 7.791 -0.053 18220
1917 1 4 . 1 1 76 76 MET N N 67 117.618 117.618 118.612 -0.994 18220
1918 1 4 . 1 1 76 76 MET HA H 67 4.220 4.220 4.364 -0.144 18220
1919 1 4 . 1 1 76 76 MET C C 67 175.142 175.142 177.143 -2.001 18220
1920 1 4 . 1 1 76 76 MET CA C 67 56.723 56.723 56.469 0.254 18220
1921 1 4 . 1 1 76 76 MET CB C 67 31.951 31.951 33.937 -1.986 18220
1922 1 4 . 1 1 76 76 MET H H 67 7.823 7.823 7.904 -0.081 18220
1923 1 4 . 1 1 77 77 GLY N N 68 107.110 107.110 108.772 -1.662 18220
1924 1 4 . 1 1 77 77 GLY C C 68 172.260 172.260 173.569 -1.309 18220
1925 1 4 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.889 0.911 18220
1926 1 4 . 1 1 77 77 GLY H H 68 7.937 7.937 8.450 -0.513 18220
1927 1 4 . 1 1 78 78 VAL N N 69 120.431 120.431 120.427 0.004 18220
1928 1 4 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.222 -0.002 18220
1929 1 4 . 1 1 78 78 VAL CA C 69 63.900 63.900 61.455 2.446 18220
1930 1 4 . 1 1 78 78 VAL CB C 69 31.506 31.506 33.487 -1.981 18220
1931 1 4 . 1 1 78 78 VAL H H 69 7.697 7.697 7.718 -0.021 18220
1932 1 4 . 1 1 79 79 ARG N N 70 121.420 121.420 125.114 -3.694 18220
1933 1 4 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.581 -0.771 18220
1934 1 4 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.490 0.910 18220
1935 1 4 . 1 1 79 79 ARG CB C 70 30.097 30.097 31.479 -1.382 18220
1936 1 4 . 1 1 79 79 ARG H H 70 7.889 7.889 8.467 -0.578 18220
1937 1 4 . 1 1 80 80 PHE N N 71 119.949 119.949 121.262 -1.313 18220
1938 1 4 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.437 0.073 18220
1939 1 4 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.148 0.452 18220
1940 1 4 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.183 -0.038 18220
1941 1 4 . 1 1 80 80 PHE H H 71 8.101 8.101 8.597 -0.496 18220
1942 1 4 . 1 1 81 81 LYS N N 72 122.193 122.193 124.756 -2.563 18220
1943 1 4 . 1 1 81 81 LYS CA C 72 56.800 56.800 57.166 -0.366 18220
1944 1 4 . 1 1 81 81 LYS CB C 72 32.322 32.322 32.201 0.121 18220
1945 1 4 . 1 1 81 81 LYS H H 72 8.090 8.090 8.690 -0.600 18220
1946 1 4 . 1 1 82 82 ARG N N 73 119.650 119.650 122.253 -2.603 18220
1947 1 4 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.116 -0.027 18220
1948 1 4 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.570 -1.399 18220
1949 1 4 . 1 1 82 82 ARG H H 73 8.052 8.052 8.705 -0.653 18220
1950 1 4 . 1 1 83 83 SER N N 74 115.734 115.734 115.816 -0.082 18220
1951 1 4 . 1 1 83 83 SER CA C 74 58.355 58.355 57.727 0.628 18220
1952 1 4 . 1 1 83 83 SER CB C 74 63.404 63.404 64.353 -0.950 18220
1953 1 4 . 1 1 83 83 SER H H 74 7.912 7.912 8.153 -0.241 18220
1954 1 4 . 1 1 84 84 LYS N N 75 122.370 122.370 121.079 1.291 18220
1955 1 4 . 1 1 84 84 LYS CA C 75 56.135 56.135 55.664 0.471 18220
1956 1 4 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.548 -1.373 18220
1957 1 4 . 1 1 84 84 LYS H H 75 8.067 8.067 8.372 -0.305 18220
1958 1 4 . 1 1 86 86 ILE N N 77 119.592 119.592 124.134 -4.542 18220
1959 1 4 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.003 -0.193 18220
1960 1 4 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.407 3.493 18220
1961 1 4 . 1 1 86 86 ILE CB C 77 39.145 39.145 36.966 2.179 18220
1962 1 4 . 1 1 86 86 ILE H H 77 7.837 7.837 8.139 -0.302 18220
1963 1 4 . 1 1 87 87 MET N N 78 121.645 121.645 121.833 -0.188 18220
1964 1 4 . 1 1 87 87 MET CA C 78 52.982 52.982 52.419 0.563 18220
1965 1 4 . 1 1 87 87 MET CB C 78 32.173 32.173 33.410 -1.237 18220
1966 1 4 . 1 1 87 87 MET H H 78 7.950 7.950 8.492 -0.542 18220
1967 1 4 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.621 -0.481 18220
1968 1 4 . 1 1 88 88 PRO C C 79 173.921 173.921 176.234 -2.313 18220
1969 1 4 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.600 0.200 18220
1970 1 4 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.197 1.939 18220
1971 1 4 . 1 1 89 89 ALA N N 80 124.431 124.431 123.295 1.136 18220
1972 1 4 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.124 0.276 18220
1973 1 4 . 1 1 89 89 ALA C C 80 176.234 176.234 179.414 -3.180 18220
1974 1 4 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.716 -1.416 18220
1975 1 4 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.744 -0.246 18220
1976 1 4 . 1 1 89 89 ALA H H 80 8.320 8.320 8.386 -0.066 18220
1977 1 4 . 1 1 90 90 GLY N N 81 106.834 106.834 107.876 -1.042 18220
1978 1 4 . 1 1 90 90 GLY C C 81 172.398 172.398 175.899 -3.501 18220
1979 1 4 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.291 -1.691 18220
1980 1 4 . 1 1 90 90 GLY H H 81 8.458 8.458 8.614 -0.156 18220
1981 1 4 . 1 1 91 91 LEU N N 82 121.043 121.043 122.155 -1.112 18220
1982 1 4 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.936 0.264 18220
1983 1 4 . 1 1 91 91 LEU C C 82 174.783 174.783 178.869 -4.086 18220
1984 1 4 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.120 -1.820 18220
1985 1 4 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.902 0.204 18220
1986 1 4 . 1 1 91 91 LEU H H 82 7.687 7.687 7.561 0.126 18220
1987 1 4 . 1 1 92 92 VAL N N 83 114.737 114.737 118.425 -3.688 18220
1988 1 4 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.580 0.400 18220
1989 1 4 . 1 1 92 92 VAL C C 83 173.634 173.634 177.902 -4.268 18220
1990 1 4 . 1 1 92 92 VAL CA C 83 62.400 62.400 65.291 -2.891 18220
1991 1 4 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.669 0.916 18220
1992 1 4 . 1 1 92 92 VAL H H 83 7.602 7.602 7.818 -0.216 18220
1993 1 4 . 1 1 93 93 ALA N N 84 124.320 124.320 121.776 2.544 18220
1994 1 4 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.094 0.056 18220
1995 1 4 . 1 1 93 93 ALA C C 84 175.746 175.746 179.948 -4.202 18220
1996 1 4 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.282 -1.982 18220
1997 1 4 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.061 0.180 18220
1998 1 4 . 1 1 93 93 ALA H H 84 7.891 7.891 8.127 -0.236 18220
1999 1 4 . 1 1 94 94 GLY N N 85 106.807 106.807 107.999 -1.192 18220
2000 1 4 . 1 1 94 94 GLY C C 85 171.752 171.752 175.650 -3.898 18220
2001 1 4 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.654 -1.405 18220
2002 1 4 . 1 1 94 94 GLY H H 85 8.204 8.204 8.296 -0.092 18220
2003 1 4 . 1 1 95 95 LEU N N 86 121.266 121.266 122.866 -1.600 18220
2004 1 4 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.985 0.395 18220
2005 1 4 . 1 1 95 95 LEU C C 86 173.702 173.702 178.514 -4.812 18220
2006 1 4 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.645 -2.645 18220
2007 1 4 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.713 0.585 18220
2008 1 4 . 1 1 95 95 LEU H H 86 7.718 7.718 8.097 -0.379 18220
2009 1 4 . 1 1 96 96 SER N N 87 115.658 115.658 114.700 0.958 18220
2010 1 4 . 1 1 96 96 SER HA H 87 4.370 4.370 4.115 0.255 18220
2011 1 4 . 1 1 96 96 SER C C 87 172.479 172.479 176.587 -4.108 18220
2012 1 4 . 1 1 96 96 SER CA C 87 57.200 57.200 61.887 -4.687 18220
2013 1 4 . 1 1 96 96 SER CB C 87 64.174 64.174 63.092 1.082 18220
2014 1 4 . 1 1 96 96 SER H H 87 7.659 7.659 8.050 -0.391 18220
2015 1 4 . 1 1 97 97 LEU N N 88 123.720 123.720 122.529 1.191 18220
2016 1 4 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.962 0.638 18220
2017 1 4 . 1 1 97 97 LEU C C 88 175.932 175.932 179.275 -3.343 18220
2018 1 4 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.109 -0.509 18220
2019 1 4 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.383 0.017 18220
2020 1 4 . 1 1 97 97 LEU H H 88 8.733 8.733 8.192 0.541 18220
2021 1 4 . 1 1 98 98 MET N N 89 116.684 116.684 118.101 -1.417 18220
2022 1 4 . 1 1 98 98 MET HA H 89 4.280 4.280 3.995 0.285 18220
2023 1 4 . 1 1 98 98 MET C C 89 175.789 175.789 178.404 -2.615 18220
2024 1 4 . 1 1 98 98 MET CA C 89 56.915 56.915 59.294 -2.379 18220
2025 1 4 . 1 1 98 98 MET CB C 89 31.007 31.007 32.647 -1.640 18220
2026 1 4 . 1 1 98 98 MET H H 89 8.342 8.342 8.248 0.094 18220
2027 1 4 . 1 1 99 99 MET N N 90 119.182 119.182 119.398 -0.216 18220
2028 1 4 . 1 1 99 99 MET HA H 90 4.110 4.110 4.009 0.101 18220
2029 1 4 . 1 1 99 99 MET C C 90 175.588 175.588 178.391 -2.803 18220
2030 1 4 . 1 1 99 99 MET CA C 90 57.951 57.951 59.927 -1.976 18220
2031 1 4 . 1 1 99 99 MET CB C 90 32.226 32.226 32.683 -0.457 18220
2032 1 4 . 1 1 99 99 MET H H 90 7.720 7.720 7.951 -0.231 18220
2033 1 4 . 1 1 100 100 ILE N N 91 119.077 119.077 117.724 1.353 18220
2034 1 4 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.657 0.453 18220
2035 1 4 . 1 1 100 100 ILE C C 91 174.634 174.634 177.538 -2.904 18220
2036 1 4 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.663 -0.563 18220
2037 1 4 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.006 0.137 18220
2038 1 4 . 1 1 100 100 ILE H H 91 7.662 7.662 8.041 -0.379 18220
2039 1 4 . 1 1 101 101 LEU N N 92 119.646 119.646 120.143 -0.497 18220
2040 1 4 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.926 0.604 18220
2041 1 4 . 1 1 101 101 LEU C C 92 175.430 175.430 179.469 -4.039 18220
2042 1 4 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.403 -0.603 18220
2043 1 4 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.484 -0.726 18220
2044 1 4 . 1 1 101 101 LEU H H 92 8.142 8.142 7.986 0.156 18220
2045 1 4 . 1 1 102 102 ARG N N 93 116.394 116.394 118.578 -2.184 18220
2046 1 4 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.092 0.048 18220
2047 1 4 . 1 1 102 102 ARG C C 93 175.961 175.961 178.657 -2.696 18220
2048 1 4 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.574 0.526 18220
2049 1 4 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.787 -0.383 18220
2050 1 4 . 1 1 102 102 ARG H H 93 7.893 7.893 8.147 -0.254 18220
2051 1 4 . 1 1 103 103 LEU N N 94 119.114 119.114 121.814 -2.700 18220
2052 1 4 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.015 0.095 18220
2053 1 4 . 1 1 103 103 LEU C C 94 175.889 175.889 178.619 -2.730 18220
2054 1 4 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.474 -1.174 18220
2055 1 4 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.729 -0.433 18220
2056 1 4 . 1 1 103 103 LEU H H 94 7.622 7.622 8.093 -0.471 18220
2057 1 4 . 1 1 104 104 VAL N N 95 117.704 117.704 117.242 0.462 18220
2058 1 4 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.852 -0.322 18220
2059 1 4 . 1 1 104 104 VAL C C 95 175.042 175.042 178.077 -3.035 18220
2060 1 4 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.154 1.265 18220
2061 1 4 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.896 -0.539 18220
2062 1 4 . 1 1 104 104 VAL H H 95 8.026 8.026 7.377 0.649 18220
2063 1 4 . 1 1 105 105 LEU N N 96 117.185 117.185 121.777 -4.592 18220
2064 1 4 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.938 0.042 18220
2065 1 4 . 1 1 105 105 LEU C C 96 176.579 176.579 178.629 -2.050 18220
2066 1 4 . 1 1 105 105 LEU CA C 96 56.800 56.800 58.215 -1.415 18220
2067 1 4 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.951 -1.000 18220
2068 1 4 . 1 1 105 105 LEU H H 96 7.893 7.893 7.563 0.330 18220
2069 1 4 . 1 1 106 106 LEU N N 97 118.471 118.471 119.301 -0.830 18220
2070 1 4 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.919 0.261 18220
2071 1 4 . 1 1 106 106 LEU C C 97 175.802 175.802 178.554 -2.752 18220
2072 1 4 . 1 1 106 106 LEU CA C 97 56.300 56.300 58.081 -1.781 18220
2073 1 4 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.949 -0.357 18220
2074 1 4 . 1 1 106 106 LEU H H 97 7.545 7.545 8.297 -0.752 18220
2075 1 4 . 1 1 107 107 LEU N N 98 118.162 118.162 118.686 -0.524 18220
2076 1 4 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.117 0.113 18220
2077 1 4 . 1 1 107 107 LEU C C 98 174.174 174.174 177.738 -3.564 18220
2078 1 4 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.974 -0.691 18220
2079 1 4 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.545 -0.183 18220
2080 1 4 . 1 1 107 107 LEU H H 98 7.688 7.688 8.083 -0.395 18220
2081 1 5 . 1 1 11 11 ASP N N 2 120.536 120.536 120.822 -0.286 18220
2082 1 5 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.226 1.692 18220
2083 1 5 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.368 -3.409 18220
2084 1 5 . 1 1 11 11 ASP H H 2 7.863 7.863 8.708 -0.845 18220
2085 1 5 . 1 1 12 12 LEU N N 3 121.414 121.414 121.582 -0.168 18220
2086 1 5 . 1 1 12 12 LEU C C 3 176.162 176.162 176.523 -0.361 18220
2087 1 5 . 1 1 12 12 LEU CA C 3 57.600 57.600 54.157 3.443 18220
2088 1 5 . 1 1 12 12 LEU CB C 3 41.657 41.657 43.410 -1.753 18220
2089 1 5 . 1 1 12 12 LEU H H 3 8.285 8.285 7.561 0.724 18220
2090 1 5 . 1 1 13 13 ILE N N 4 118.854 118.854 119.340 -0.486 18220
2091 1 5 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.351 -0.612 18220
2092 1 5 . 1 1 13 13 ILE C C 4 175.228 175.228 176.540 -1.312 18220
2093 1 5 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.072 3.428 18220
2094 1 5 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.857 -1.755 18220
2095 1 5 . 1 1 13 13 ILE H H 4 8.031 8.031 8.043 -0.012 18220
2096 1 5 . 1 1 14 14 GLY N N 5 107.478 107.478 106.642 0.836 18220
2097 1 5 . 1 1 14 14 GLY C C 5 174.424 174.424 174.274 0.150 18220
2098 1 5 . 1 1 14 14 GLY CA C 5 47.059 47.059 44.592 2.467 18220
2099 1 5 . 1 1 14 14 GLY H H 5 8.148 8.148 7.619 0.529 18220
2100 1 5 . 1 1 15 15 PHE N N 6 122.774 122.774 120.143 2.631 18220
2101 1 5 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.589 -0.109 18220
2102 1 5 . 1 1 15 15 PHE C C 6 175.113 175.113 177.601 -2.488 18220
2103 1 5 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.561 0.456 18220
2104 1 5 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.383 -0.609 18220
2105 1 5 . 1 1 15 15 PHE H H 6 8.194 8.194 8.872 -0.678 18220
2106 1 5 . 1 1 16 16 GLY N N 7 107.938 107.938 108.607 -0.669 18220
2107 1 5 . 1 1 16 16 GLY C C 7 171.838 171.838 176.037 -4.199 18220
2108 1 5 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.658 -0.558 18220
2109 1 5 . 1 1 16 16 GLY H H 7 8.697 8.697 8.621 0.076 18220
2110 1 5 . 1 1 17 17 TYR N N 8 121.785 121.785 122.485 -0.700 18220
2111 1 5 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.122 0.028 18220
2112 1 5 . 1 1 17 17 TYR C C 8 174.180 174.180 177.968 -3.788 18220
2113 1 5 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.401 -0.101 18220
2114 1 5 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.119 -0.160 18220
2115 1 5 . 1 1 17 17 TYR H H 8 8.710 8.710 8.437 0.273 18220
2116 1 5 . 1 1 18 18 ALA N N 9 120.233 120.233 120.588 -0.355 18220
2117 1 5 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.958 -0.008 18220
2118 1 5 . 1 1 18 18 ALA C C 9 178.059 178.059 179.261 -1.202 18220
2119 1 5 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.209 -0.337 18220
2120 1 5 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.581 -0.019 18220
2121 1 5 . 1 1 18 18 ALA H H 9 7.843 7.843 8.235 -0.392 18220
2122 1 5 . 1 1 19 19 ALA N N 10 121.797 121.797 121.572 0.225 18220
2123 1 5 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.254 -0.304 18220
2124 1 5 . 1 1 19 19 ALA C C 10 176.191 176.191 179.782 -3.591 18220
2125 1 5 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.718 -0.118 18220
2126 1 5 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.239 -0.677 18220
2127 1 5 . 1 1 19 19 ALA H H 10 8.212 8.212 7.840 0.372 18220
2128 1 5 . 1 1 20 20 LEU N N 11 119.442 119.442 120.448 -1.006 18220
2129 1 5 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.032 -0.095 18220
2130 1 5 . 1 1 20 20 LEU C C 11 176.694 176.694 179.167 -2.473 18220
2131 1 5 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.920 -0.120 18220
2132 1 5 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.023 0.199 18220
2133 1 5 . 1 1 20 20 LEU H H 11 8.065 8.065 8.055 0.010 18220
2134 1 5 . 1 1 21 21 VAL N N 12 118.323 118.323 119.538 -1.215 18220
2135 1 5 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.522 0.118 18220
2136 1 5 . 1 1 21 21 VAL C C 12 176.536 176.536 178.121 -1.585 18220
2137 1 5 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.501 -2.100 18220
2138 1 5 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.683 -0.548 18220
2139 1 5 . 1 1 21 21 VAL H H 12 8.051 8.051 8.600 -0.549 18220
2140 1 5 . 1 1 22 22 THR N N 13 118.298 118.298 116.526 1.772 18220
2141 1 5 . 1 1 22 22 THR HA H 13 4.660 4.660 3.902 0.758 18220
2142 1 5 . 1 1 22 22 THR C C 13 173.734 173.734 176.723 -2.989 18220
2143 1 5 . 1 1 22 22 THR CA C 13 66.300 66.300 67.004 -0.704 18220
2144 1 5 . 1 1 22 22 THR CB C 13 67.775 67.775 68.632 -0.857 18220
2145 1 5 . 1 1 22 22 THR H H 13 7.944 7.944 8.056 -0.112 18220
2146 1 5 . 1 1 23 23 PHE N N 14 121.328 121.328 121.517 -0.189 18220
2147 1 5 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.147 0.193 18220
2148 1 5 . 1 1 23 23 PHE C C 14 174.783 174.783 177.772 -2.989 18220
2149 1 5 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.762 -1.262 18220
2150 1 5 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.810 -0.185 18220
2151 1 5 . 1 1 23 23 PHE H H 14 8.567 8.567 8.472 0.095 18220
2152 1 5 . 1 1 24 24 GLY N N 15 106.871 106.871 106.869 0.002 18220
2153 1 5 . 1 1 24 24 GLY C C 15 172.858 172.858 176.359 -3.501 18220
2154 1 5 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.151 -0.251 18220
2155 1 5 . 1 1 24 24 GLY H H 15 8.475 8.475 8.593 -0.118 18220
2156 1 5 . 1 1 25 25 SER N N 16 116.214 116.214 118.156 -1.942 18220
2157 1 5 . 1 1 25 25 SER HA H 16 4.280 4.280 4.140 0.140 18220
2158 1 5 . 1 1 25 25 SER CA C 16 60.300 60.300 62.017 -1.717 18220
2159 1 5 . 1 1 25 25 SER CB C 16 62.879 62.879 63.206 -0.327 18220
2160 1 5 . 1 1 25 25 SER H H 16 7.963 7.963 8.267 -0.304 18220
2161 1 5 . 1 1 26 26 ILE N N 17 121.024 121.024 120.560 0.464 18220
2162 1 5 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.668 0.278 18220
2163 1 5 . 1 1 26 26 ILE C C 17 173.935 173.935 178.645 -4.710 18220
2164 1 5 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.189 -1.089 18220
2165 1 5 . 1 1 26 26 ILE CB C 17 38.107 38.107 36.995 1.112 18220
2166 1 5 . 1 1 26 26 ILE H H 17 7.676 7.676 8.604 -0.928 18220
2167 1 5 . 1 1 27 27 PHE N N 18 117.142 117.142 119.639 -2.497 18220
2168 1 5 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.327 0.103 18220
2169 1 5 . 1 1 27 27 PHE C C 18 173.504 173.504 177.580 -4.076 18220
2170 1 5 . 1 1 27 27 PHE CA C 18 58.500 58.500 61.194 -2.694 18220
2171 1 5 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.588 0.186 18220
2172 1 5 . 1 1 27 27 PHE H H 18 7.703 7.703 8.351 -0.648 18220
2173 1 5 . 1 1 28 28 GLY N N 19 107.303 107.303 105.738 1.565 18220
2174 1 5 . 1 1 28 28 GLY C C 19 171.593 171.593 174.312 -2.719 18220
2175 1 5 . 1 1 28 28 GLY CA C 19 45.600 45.600 44.938 0.662 18220
2176 1 5 . 1 1 28 28 GLY H H 19 7.722 7.722 7.701 0.021 18220
2177 1 5 . 1 1 29 29 TYR N N 20 119.862 119.862 119.643 0.219 18220
2178 1 5 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.142 0.250 18220
2179 1 5 . 1 1 29 29 TYR C C 20 173.174 173.174 174.561 -1.387 18220
2180 1 5 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.983 -0.483 18220
2181 1 5 . 1 1 29 29 TYR CB C 20 38.404 38.404 36.481 1.923 18220
2182 1 5 . 1 1 29 29 TYR H H 20 7.880 7.880 7.921 -0.041 18220
2183 1 5 . 1 1 30 30 LYS N N 21 122.335 122.335 119.155 3.180 18220
2184 1 5 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.327 0.063 18220
2185 1 5 . 1 1 30 30 LYS C C 21 173.547 173.547 176.410 -2.863 18220
2186 1 5 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.677 -0.877 18220
2187 1 5 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.608 -1.212 18220
2188 1 5 . 1 1 30 30 LYS H H 21 7.934 7.934 8.260 -0.326 18220
2189 1 5 . 1 1 31 31 ARG N N 22 120.612 120.612 121.088 -0.476 18220
2190 1 5 . 1 1 31 31 ARG C C 22 173.547 173.547 176.534 -2.987 18220
2191 1 5 . 1 1 31 31 ARG CA C 22 55.834 55.834 57.517 -1.683 18220
2192 1 5 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.703 -0.603 18220
2193 1 5 . 1 1 31 31 ARG H H 22 7.905 7.905 8.377 -0.472 18220
2194 1 5 . 1 1 32 32 ARG N N 23 121.748 121.748 119.426 2.322 18220
2195 1 5 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.097 0.213 18220
2196 1 5 . 1 1 32 32 ARG C C 23 173.863 173.863 175.298 -1.435 18220
2197 1 5 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.067 -0.267 18220
2198 1 5 . 1 1 32 32 ARG CB C 23 30.245 30.245 29.398 0.847 18220
2199 1 5 . 1 1 32 32 ARG H H 23 8.175 8.175 8.935 -0.760 18220
2200 1 5 . 1 1 33 33 GLY N N 24 109.528 109.528 109.481 0.047 18220
2201 1 5 . 1 1 33 33 GLY C C 24 171.752 171.752 173.154 -1.402 18220
2202 1 5 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.209 0.691 18220
2203 1 5 . 1 1 33 33 GLY H H 24 8.264 8.264 8.295 -0.031 18220
2204 1 5 . 1 1 34 34 GLY N N 25 108.563 108.563 107.027 1.536 18220
2205 1 5 . 1 1 34 34 GLY C C 25 171.701 171.701 173.596 -1.895 18220
2206 1 5 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.067 -0.467 18220
2207 1 5 . 1 1 34 34 GLY H H 25 8.208 8.208 8.129 0.079 18220
2208 1 5 . 1 1 35 35 VAL N N 26 121.164 121.164 122.140 -0.976 18220
2209 1 5 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.570 -0.560 18220
2210 1 5 . 1 1 35 35 VAL C C 26 175.888 175.888 173.902 1.986 18220
2211 1 5 . 1 1 35 35 VAL CA C 26 63.900 63.900 59.212 4.688 18220
2212 1 5 . 1 1 35 35 VAL CB C 26 30.690 30.690 33.130 -2.441 18220
2213 1 5 . 1 1 35 35 VAL H H 26 8.485 8.485 8.091 0.394 18220
2214 1 5 . 1 1 36 36 PRO C C 27 177.660 177.660 177.506 0.154 18220
2215 1 5 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.121 -0.274 18220
2216 1 5 . 1 1 37 37 SER N N 28 116.023 116.023 115.311 0.712 18220
2217 1 5 . 1 1 37 37 SER HA H 28 4.280 4.280 4.161 0.119 18220
2218 1 5 . 1 1 37 37 SER CA C 28 61.100 61.100 61.249 -0.149 18220
2219 1 5 . 1 1 37 37 SER H H 28 7.948 7.948 8.413 -0.465 18220
2220 1 5 . 1 1 38 38 LEU N N 29 124.029 124.029 122.894 1.135 18220
2221 1 5 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.970 0.200 18220
2222 1 5 . 1 1 38 38 LEU C C 29 176.132 176.132 178.520 -2.388 18220
2223 1 5 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.649 -1.149 18220
2224 1 5 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.968 0.070 18220
2225 1 5 . 1 1 38 38 LEU H H 29 8.201 8.201 8.398 -0.197 18220
2226 1 5 . 1 1 39 39 ILE N N 30 117.098 117.098 117.977 -0.879 18220
2227 1 5 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.823 0.547 18220
2228 1 5 . 1 1 39 39 ILE C C 30 176.478 176.478 178.444 -1.966 18220
2229 1 5 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.428 -1.349 18220
2230 1 5 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.348 0.625 18220
2231 1 5 . 1 1 39 39 ILE H H 30 7.662 7.662 8.129 -0.467 18220
2232 1 5 . 1 1 40 40 ALA N N 31 122.447 122.447 121.512 0.935 18220
2233 1 5 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.093 -0.059 18220
2234 1 5 . 1 1 40 40 ALA C C 31 177.067 177.067 179.898 -2.831 18220
2235 1 5 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.454 0.508 18220
2236 1 5 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.878 -0.022 18220
2237 1 5 . 1 1 40 40 ALA H H 31 8.096 8.096 7.801 0.295 18220
2238 1 5 . 1 1 41 41 GLY N N 32 104.056 104.056 106.763 -2.707 18220
2239 1 5 . 1 1 41 41 GLY C C 32 174.251 174.251 176.326 -2.075 18220
2240 1 5 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.740 -0.240 18220
2241 1 5 . 1 1 41 41 GLY H H 32 8.123 8.123 8.025 0.098 18220
2242 1 5 . 1 1 42 42 LEU N N 33 123.250 123.250 123.548 -0.298 18220
2243 1 5 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.143 -0.286 18220
2244 1 5 . 1 1 42 42 LEU C C 33 176.033 176.033 178.498 -2.465 18220
2245 1 5 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.490 -0.822 18220
2246 1 5 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.910 -0.189 18220
2247 1 5 . 1 1 42 42 LEU H H 33 7.914 7.914 8.089 -0.175 18220
2248 1 5 . 1 1 43 43 PHE N N 34 119.757 119.757 119.316 0.441 18220
2249 1 5 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.171 0.029 18220
2250 1 5 . 1 1 43 43 PHE C C 34 174.374 174.374 177.953 -3.579 18220
2251 1 5 . 1 1 43 43 PHE CA C 34 59.876 59.876 63.164 -3.288 18220
2252 1 5 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.753 0.081 18220
2253 1 5 . 1 1 43 43 PHE H H 34 8.287 8.287 8.704 -0.417 18220
2254 1 5 . 1 1 44 44 VAL N N 35 117.791 117.791 119.265 -1.474 18220
2255 1 5 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.690 -0.080 18220
2256 1 5 . 1 1 44 44 VAL C C 35 176.205 176.205 178.096 -1.891 18220
2257 1 5 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.315 -1.756 18220
2258 1 5 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.332 0.100 18220
2259 1 5 . 1 1 44 44 VAL H H 35 8.235 8.235 8.410 -0.175 18220
2260 1 5 . 1 1 45 45 GLY N N 36 108.551 108.551 106.874 1.677 18220
2261 1 5 . 1 1 45 45 GLY C C 36 173.749 173.749 176.074 -2.325 18220
2262 1 5 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.501 -1.418 18220
2263 1 5 . 1 1 45 45 GLY H H 36 8.178 8.178 8.203 -0.025 18220
2264 1 5 . 1 1 46 46 CYS N N 37 121.173 121.173 120.971 0.202 18220
2265 1 5 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.011 0.169 18220
2266 1 5 . 1 1 46 46 CYS C C 37 173.710 173.710 177.231 -3.521 18220
2267 1 5 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.861 -0.861 18220
2268 1 5 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.301 32.982 18220
2269 1 5 . 1 1 46 46 CYS H H 37 8.253 8.253 8.045 0.208 18220
2270 1 5 . 1 1 47 47 LEU N N 38 120.283 120.283 121.109 -0.826 18220
2271 1 5 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.835 0.225 18220
2272 1 5 . 1 1 47 47 LEU C C 38 176.679 176.679 179.139 -2.460 18220
2273 1 5 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.184 -2.157 18220
2274 1 5 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.040 0.424 18220
2275 1 5 . 1 1 47 47 LEU H H 38 7.965 7.965 8.388 -0.423 18220
2276 1 5 . 1 1 48 48 ALA N N 39 122.249 122.249 120.305 1.944 18220
2277 1 5 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.999 0.143 18220
2278 1 5 . 1 1 48 48 ALA C C 39 177.915 177.915 179.525 -1.610 18220
2279 1 5 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.205 -1.488 18220
2280 1 5 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.150 -0.165 18220
2281 1 5 . 1 1 48 48 ALA H H 39 8.066 8.066 8.354 -0.288 18220
2282 1 5 . 1 1 49 49 GLY N N 40 107.377 107.377 107.719 -0.342 18220
2283 1 5 . 1 1 49 49 GLY C C 40 172.527 172.527 175.803 -3.276 18220
2284 1 5 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.244 -1.794 18220
2285 1 5 . 1 1 49 49 GLY H H 40 8.172 8.172 8.419 -0.247 18220
2286 1 5 . 1 1 50 50 TYR N N 41 122.409 122.409 124.208 -1.799 18220
2287 1 5 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.999 -0.200 18220
2288 1 5 . 1 1 50 50 TYR C C 41 174.208 174.208 178.156 -3.948 18220
2289 1 5 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.942 -1.697 18220
2290 1 5 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.219 -0.283 18220
2291 1 5 . 1 1 50 50 TYR H H 41 7.800 7.800 8.181 -0.381 18220
2292 1 5 . 1 1 51 51 GLY N N 42 106.935 106.935 106.150 0.785 18220
2293 1 5 . 1 1 51 51 GLY C C 42 172.642 172.642 176.536 -3.894 18220
2294 1 5 . 1 1 51 51 GLY CA C 42 46.265 46.265 47.007 -0.742 18220
2295 1 5 . 1 1 51 51 GLY H H 42 8.199 8.199 8.220 -0.021 18220
2296 1 5 . 1 1 52 52 ALA N N 43 123.018 123.018 126.073 -3.055 18220
2297 1 5 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.278 -0.128 18220
2298 1 5 . 1 1 52 52 ALA C C 43 176.398 176.398 179.304 -2.906 18220
2299 1 5 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.248 -1.365 18220
2300 1 5 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.346 -0.105 18220
2301 1 5 . 1 1 52 52 ALA H H 43 7.758 7.758 8.477 -0.719 18220
2302 1 5 . 1 1 53 53 TYR N N 44 119.664 119.664 118.196 1.468 18220
2303 1 5 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.192 0.126 18220
2304 1 5 . 1 1 53 53 TYR C C 44 174.180 174.180 177.900 -3.720 18220
2305 1 5 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.012 -1.419 18220
2306 1 5 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.377 -0.185 18220
2307 1 5 . 1 1 53 53 TYR H H 44 7.920 7.920 8.158 -0.238 18220
2308 1 5 . 1 1 54 54 ARG N N 45 119.516 119.516 117.789 1.727 18220
2309 1 5 . 1 1 54 54 ARG HA H 45 3.930 3.930 3.969 -0.039 18220
2310 1 5 . 1 1 54 54 ARG C C 45 174.423 174.423 176.639 -2.216 18220
2311 1 5 . 1 1 54 54 ARG CA C 45 56.027 56.027 59.143 -3.116 18220
2312 1 5 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.622 -0.449 18220
2313 1 5 . 1 1 54 54 ARG H H 45 7.956 7.956 8.071 -0.115 18220
2314 1 5 . 1 1 55 55 VAL N N 46 116.437 116.437 112.410 4.027 18220
2315 1 5 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.948 0.112 18220
2316 1 5 . 1 1 55 55 VAL C C 46 173.806 173.806 175.055 -1.249 18220
2317 1 5 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.387 -1.087 18220
2318 1 5 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.331 -0.810 18220
2319 1 5 . 1 1 55 55 VAL H H 46 7.489 7.489 7.680 -0.191 18220
2320 1 5 . 1 1 56 56 SER N N 47 117.185 117.185 116.651 0.534 18220
2321 1 5 . 1 1 56 56 SER HA H 47 4.401 4.401 4.248 0.153 18220
2322 1 5 . 1 1 56 56 SER C C 47 172.074 172.074 173.686 -1.612 18220
2323 1 5 . 1 1 56 56 SER CA C 47 58.133 58.133 59.223 -1.090 18220
2324 1 5 . 1 1 56 56 SER CB C 47 63.468 63.468 63.812 -0.344 18220
2325 1 5 . 1 1 56 56 SER H H 47 7.728 7.728 8.216 -0.488 18220
2326 1 5 . 1 1 57 57 ASN N N 48 121.049 121.049 117.166 3.883 18220
2327 1 5 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.458 0.132 18220
2328 1 5 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.600 -0.000 18220
2329 1 5 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.537 0.104 18220
2330 1 5 . 1 1 57 57 ASN H H 48 8.228 8.228 8.638 -0.410 18220
2331 1 5 . 1 1 58 58 ASP N N 49 120.276 120.276 124.086 -3.810 18220
2332 1 5 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.601 -0.071 18220
2333 1 5 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.153 -0.951 18220
2334 1 5 . 1 1 58 58 ASP CB C 49 40.374 40.374 40.518 -0.144 18220
2335 1 5 . 1 1 58 58 ASP H H 49 8.192 8.192 8.781 -0.589 18220
2336 1 5 . 1 1 59 59 LYS N N 50 120.660 120.660 119.448 1.212 18220
2337 1 5 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.414 -0.214 18220
2338 1 5 . 1 1 59 59 LYS C C 50 173.474 173.474 174.083 -0.609 18220
2339 1 5 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.549 -0.249 18220
2340 1 5 . 1 1 59 59 LYS CB C 50 32.034 32.034 35.113 -3.079 18220
2341 1 5 . 1 1 59 59 LYS H H 50 8.003 8.003 8.140 -0.137 18220
2342 1 5 . 1 1 60 60 ARG N N 51 121.278 121.278 121.938 -0.660 18220
2343 1 5 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.479 -0.280 18220
2344 1 5 . 1 1 60 60 ARG C C 51 173.303 173.303 174.115 -0.812 18220
2345 1 5 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.185 0.098 18220
2346 1 5 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.015 -0.777 18220
2347 1 5 . 1 1 60 60 ARG H H 51 8.091 8.091 8.451 -0.360 18220
2348 1 5 . 1 1 61 61 ASP N N 52 121.185 121.185 122.915 -1.730 18220
2349 1 5 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.822 -0.207 18220
2350 1 5 . 1 1 61 61 ASP C C 52 173.777 173.777 176.003 -2.226 18220
2351 1 5 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.656 -0.677 18220
2352 1 5 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.374 -1.129 18220
2353 1 5 . 1 1 61 61 ASP H H 52 8.261 8.261 8.462 -0.201 18220
2354 1 5 . 1 1 62 62 VAL N N 53 121.902 121.902 119.304 2.598 18220
2355 1 5 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.418 0.532 18220
2356 1 5 . 1 1 62 62 VAL C C 53 173.279 173.279 176.846 -3.567 18220
2357 1 5 . 1 1 62 62 VAL CA C 53 63.176 63.176 65.416 -2.240 18220
2358 1 5 . 1 1 62 62 VAL CB C 53 32.099 32.099 30.398 1.701 18220
2359 1 5 . 1 1 62 62 VAL H H 53 7.997 7.997 8.464 -0.467 18220
2360 1 5 . 1 1 63 63 LYS N N 54 123.522 123.522 120.075 3.447 18220
2361 1 5 . 1 1 63 63 LYS HA H 54 4.260 4.260 3.957 0.303 18220
2362 1 5 . 1 1 63 63 LYS C C 54 174.481 174.481 178.395 -3.914 18220
2363 1 5 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.758 -3.411 18220
2364 1 5 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.205 -0.105 18220
2365 1 5 . 1 1 63 63 LYS H H 54 8.054 8.054 8.194 -0.140 18220
2366 1 5 . 1 1 64 64 VAL N N 55 120.647 120.647 119.548 1.099 18220
2367 1 5 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.948 -0.001 18220
2368 1 5 . 1 1 64 64 VAL C C 55 174.955 174.955 178.572 -3.617 18220
2369 1 5 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.768 -1.168 18220
2370 1 5 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.969 0.908 18220
2371 1 5 . 1 1 64 64 VAL H H 55 8.225 8.225 8.230 -0.005 18220
2372 1 5 . 1 1 65 65 SER N N 56 117.785 117.785 114.555 3.230 18220
2373 1 5 . 1 1 65 65 SER HA H 56 4.390 4.390 4.172 0.218 18220
2374 1 5 . 1 1 65 65 SER C C 56 172.300 172.300 177.022 -4.722 18220
2375 1 5 . 1 1 65 65 SER CA C 56 60.000 60.000 61.993 -1.993 18220
2376 1 5 . 1 1 65 65 SER CB C 56 62.879 62.879 62.812 0.067 18220
2377 1 5 . 1 1 65 65 SER H H 56 8.260 8.260 8.010 0.250 18220
2378 1 5 . 1 1 66 66 LEU N N 57 123.318 123.318 122.563 0.755 18220
2379 1 5 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.021 0.069 18220
2380 1 5 . 1 1 66 66 LEU C C 57 175.932 175.932 178.569 -2.637 18220
2381 1 5 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.242 -0.740 18220
2382 1 5 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.860 -0.139 18220
2383 1 5 . 1 1 66 66 LEU H H 57 8.091 8.091 8.310 -0.219 18220
2384 1 5 . 1 1 67 67 PHE N N 58 118.020 118.020 117.976 0.044 18220
2385 1 5 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.552 -0.222 18220
2386 1 5 . 1 1 67 67 PHE C C 58 174.912 174.912 177.942 -3.030 18220
2387 1 5 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.901 -1.301 18220
2388 1 5 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.773 -0.221 18220
2389 1 5 . 1 1 67 67 PHE H H 58 8.066 8.066 8.485 -0.419 18220
2390 1 5 . 1 1 68 68 THR N N 59 115.324 115.324 117.622 -2.298 18220
2391 1 5 . 1 1 68 68 THR HA H 59 4.310 4.310 4.044 0.266 18220
2392 1 5 . 1 1 68 68 THR C C 59 173.380 173.380 176.395 -3.015 18220
2393 1 5 . 1 1 68 68 THR CA C 59 66.313 66.313 67.654 -1.341 18220
2394 1 5 . 1 1 68 68 THR CB C 59 67.700 67.700 68.825 -1.125 18220
2395 1 5 . 1 1 68 68 THR H H 59 8.287 8.287 8.333 -0.046 18220
2396 1 5 . 1 1 69 69 ALA N N 60 123.621 123.621 124.327 -0.706 18220
2397 1 5 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.243 0.037 18220
2398 1 5 . 1 1 69 69 ALA C C 60 176.978 176.978 179.218 -2.240 18220
2399 1 5 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.025 0.075 18220
2400 1 5 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.154 -0.426 18220
2401 1 5 . 1 1 69 69 ALA H H 60 7.983 7.983 8.322 -0.339 18220
2402 1 5 . 1 1 70 70 PHE N N 61 118.520 118.520 120.740 -2.220 18220
2403 1 5 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.145 0.115 18220
2404 1 5 . 1 1 70 70 PHE C C 61 175.369 175.369 177.040 -1.671 18220
2405 1 5 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.016 -0.837 18220
2406 1 5 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.897 -0.191 18220
2407 1 5 . 1 1 70 70 PHE H H 61 8.007 8.007 8.284 -0.277 18220
2408 1 5 . 1 1 71 71 PHE N N 62 122.314 122.314 119.155 3.159 18220
2409 1 5 . 1 1 71 71 PHE HA H 62 4.000 4.000 3.947 0.053 18220
2410 1 5 . 1 1 71 71 PHE C C 62 174.697 174.697 177.469 -2.772 18220
2411 1 5 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.261 -1.744 18220
2412 1 5 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.372 -0.602 18220
2413 1 5 . 1 1 71 71 PHE H H 62 8.546 8.546 8.313 0.233 18220
2414 1 5 . 1 1 72 72 LEU N N 63 119.399 119.399 120.803 -1.404 18220
2415 1 5 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.843 0.027 18220
2416 1 5 . 1 1 72 72 LEU C C 63 175.774 175.774 178.559 -2.785 18220
2417 1 5 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.781 -1.856 18220
2418 1 5 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.907 -0.700 18220
2419 1 5 . 1 1 72 72 LEU H H 63 8.396 8.396 8.320 0.076 18220
2420 1 5 . 1 1 73 73 ALA N N 64 120.221 120.221 120.170 0.051 18220
2421 1 5 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.865 0.095 18220
2422 1 5 . 1 1 73 73 ALA C C 64 177.267 177.267 179.459 -2.192 18220
2423 1 5 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.534 -0.934 18220
2424 1 5 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.989 -0.205 18220
2425 1 5 . 1 1 73 73 ALA H H 64 8.025 8.025 8.602 -0.577 18220
2426 1 5 . 1 1 74 74 THR N N 65 113.648 113.648 113.717 -0.069 18220
2427 1 5 . 1 1 74 74 THR HA H 65 3.980 3.980 3.871 0.109 18220
2428 1 5 . 1 1 74 74 THR CA C 65 66.291 66.291 66.455 -0.164 18220
2429 1 5 . 1 1 74 74 THR CB C 65 67.914 67.914 68.321 -0.407 18220
2430 1 5 . 1 1 74 74 THR H H 65 7.717 7.717 7.857 -0.140 18220
2431 1 5 . 1 1 75 75 ILE N N 66 120.291 120.291 118.857 1.434 18220
2432 1 5 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.789 -0.049 18220
2433 1 5 . 1 1 75 75 ILE C C 66 174.951 174.951 176.895 -1.944 18220
2434 1 5 . 1 1 75 75 ILE CA C 66 64.880 64.880 62.056 2.824 18220
2435 1 5 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.435 -0.269 18220
2436 1 5 . 1 1 75 75 ILE H H 66 7.738 7.738 7.730 0.008 18220
2437 1 5 . 1 1 76 76 MET N N 67 117.618 117.618 117.569 0.049 18220
2438 1 5 . 1 1 76 76 MET HA H 67 4.220 4.220 4.324 -0.104 18220
2439 1 5 . 1 1 76 76 MET C C 67 175.142 175.142 177.044 -1.902 18220
2440 1 5 . 1 1 76 76 MET CA C 67 56.723 56.723 57.872 -1.149 18220
2441 1 5 . 1 1 76 76 MET CB C 67 31.951 31.951 33.917 -1.966 18220
2442 1 5 . 1 1 76 76 MET H H 67 7.823 7.823 8.067 -0.244 18220
2443 1 5 . 1 1 77 77 GLY N N 68 107.110 107.110 104.442 2.668 18220
2444 1 5 . 1 1 77 77 GLY C C 68 172.260 172.260 174.264 -2.004 18220
2445 1 5 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.825 -0.025 18220
2446 1 5 . 1 1 77 77 GLY H H 68 7.937 7.937 8.460 -0.523 18220
2447 1 5 . 1 1 78 78 VAL N N 69 120.431 120.431 119.741 0.690 18220
2448 1 5 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.398 -0.178 18220
2449 1 5 . 1 1 78 78 VAL CA C 69 63.900 63.900 62.709 1.191 18220
2450 1 5 . 1 1 78 78 VAL CB C 69 31.506 31.506 33.108 -1.602 18220
2451 1 5 . 1 1 78 78 VAL H H 69 7.697 7.697 8.224 -0.527 18220
2452 1 5 . 1 1 79 79 ARG N N 70 121.420 121.420 118.481 2.939 18220
2453 1 5 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.695 -0.885 18220
2454 1 5 . 1 1 79 79 ARG CA C 70 56.400 56.400 54.971 1.429 18220
2455 1 5 . 1 1 79 79 ARG CB C 70 30.097 30.097 31.485 -1.388 18220
2456 1 5 . 1 1 79 79 ARG H H 70 7.889 7.889 7.545 0.344 18220
2457 1 5 . 1 1 80 80 PHE N N 71 119.949 119.949 121.832 -1.883 18220
2458 1 5 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.638 -0.128 18220
2459 1 5 . 1 1 80 80 PHE CA C 71 58.600 58.600 57.595 1.005 18220
2460 1 5 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.763 -0.618 18220
2461 1 5 . 1 1 80 80 PHE H H 71 8.101 8.101 8.749 -0.648 18220
2462 1 5 . 1 1 81 81 LYS N N 72 122.193 122.193 121.155 1.038 18220
2463 1 5 . 1 1 81 81 LYS CA C 72 56.800 56.800 54.550 2.250 18220
2464 1 5 . 1 1 81 81 LYS CB C 72 32.322 32.322 35.445 -3.123 18220
2465 1 5 . 1 1 81 81 LYS H H 72 8.090 8.090 8.177 -0.087 18220
2466 1 5 . 1 1 82 82 ARG N N 73 119.650 119.650 121.255 -1.605 18220
2467 1 5 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.667 -0.578 18220
2468 1 5 . 1 1 82 82 ARG CB C 73 30.171 30.171 29.072 1.099 18220
2469 1 5 . 1 1 82 82 ARG H H 73 8.052 8.052 8.477 -0.425 18220
2470 1 5 . 1 1 83 83 SER N N 74 115.734 115.734 116.329 -0.595 18220
2471 1 5 . 1 1 83 83 SER CA C 74 58.355 58.355 58.121 0.234 18220
2472 1 5 . 1 1 83 83 SER CB C 74 63.404 63.404 64.776 -1.372 18220
2473 1 5 . 1 1 83 83 SER H H 74 7.912 7.912 8.197 -0.285 18220
2474 1 5 . 1 1 84 84 LYS N N 75 122.370 122.370 120.716 1.654 18220
2475 1 5 . 1 1 84 84 LYS CA C 75 56.135 56.135 55.998 0.137 18220
2476 1 5 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.424 -0.249 18220
2477 1 5 . 1 1 84 84 LYS H H 75 8.067 8.067 8.507 -0.440 18220
2478 1 5 . 1 1 86 86 ILE N N 77 119.592 119.592 119.946 -0.354 18220
2479 1 5 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.397 -0.587 18220
2480 1 5 . 1 1 86 86 ILE CA C 77 64.900 64.900 60.757 4.144 18220
2481 1 5 . 1 1 86 86 ILE CB C 77 39.145 39.145 37.649 1.496 18220
2482 1 5 . 1 1 86 86 ILE H H 77 7.837 7.837 7.895 -0.058 18220
2483 1 5 . 1 1 87 87 MET N N 78 121.645 121.645 121.227 0.418 18220
2484 1 5 . 1 1 87 87 MET CA C 78 52.982 52.982 56.083 -3.101 18220
2485 1 5 . 1 1 87 87 MET CB C 78 32.173 32.173 31.902 0.271 18220
2486 1 5 . 1 1 87 87 MET H H 78 7.950 7.950 8.458 -0.508 18220
2487 1 5 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.411 -0.271 18220
2488 1 5 . 1 1 88 88 PRO C C 79 173.921 173.921 177.748 -3.827 18220
2489 1 5 . 1 1 88 88 PRO CA C 79 62.800 62.800 64.934 -2.134 18220
2490 1 5 . 1 1 88 88 PRO CB C 79 31.136 31.136 32.129 -0.993 18220
2491 1 5 . 1 1 89 89 ALA N N 80 124.431 124.431 121.902 2.529 18220
2492 1 5 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.886 0.514 18220
2493 1 5 . 1 1 89 89 ALA C C 80 176.234 176.234 179.735 -3.501 18220
2494 1 5 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.434 -2.135 18220
2495 1 5 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.966 0.532 18220
2496 1 5 . 1 1 89 89 ALA H H 80 8.320 8.320 8.535 -0.215 18220
2497 1 5 . 1 1 90 90 GLY N N 81 106.834 106.834 106.640 0.194 18220
2498 1 5 . 1 1 90 90 GLY C C 81 172.398 172.398 176.296 -3.898 18220
2499 1 5 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.099 -1.499 18220
2500 1 5 . 1 1 90 90 GLY H H 81 8.458 8.458 8.491 -0.033 18220
2501 1 5 . 1 1 91 91 LEU N N 82 121.043 121.043 121.928 -0.885 18220
2502 1 5 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.847 0.353 18220
2503 1 5 . 1 1 91 91 LEU C C 82 174.783 174.783 178.968 -4.185 18220
2504 1 5 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.698 -1.398 18220
2505 1 5 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.513 0.593 18220
2506 1 5 . 1 1 91 91 LEU H H 82 7.687 7.687 7.366 0.321 18220
2507 1 5 . 1 1 92 92 VAL N N 83 114.737 114.737 118.807 -4.070 18220
2508 1 5 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.459 0.521 18220
2509 1 5 . 1 1 92 92 VAL C C 83 173.634 173.634 177.650 -4.016 18220
2510 1 5 . 1 1 92 92 VAL CA C 83 62.400 62.400 65.778 -3.378 18220
2511 1 5 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.494 1.091 18220
2512 1 5 . 1 1 92 92 VAL H H 83 7.602 7.602 7.663 -0.061 18220
2513 1 5 . 1 1 93 93 ALA N N 84 124.320 124.320 121.515 2.805 18220
2514 1 5 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.104 0.046 18220
2515 1 5 . 1 1 93 93 ALA C C 84 175.746 175.746 179.875 -4.129 18220
2516 1 5 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.187 -1.887 18220
2517 1 5 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.933 0.308 18220
2518 1 5 . 1 1 93 93 ALA H H 84 7.891 7.891 8.111 -0.220 18220
2519 1 5 . 1 1 94 94 GLY N N 85 106.807 106.807 108.229 -1.422 18220
2520 1 5 . 1 1 94 94 GLY C C 85 171.752 171.752 176.205 -4.453 18220
2521 1 5 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.980 -1.731 18220
2522 1 5 . 1 1 94 94 GLY H H 85 8.204 8.204 8.070 0.134 18220
2523 1 5 . 1 1 95 95 LEU N N 86 121.266 121.266 122.321 -1.055 18220
2524 1 5 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.002 0.378 18220
2525 1 5 . 1 1 95 95 LEU C C 86 173.702 173.702 179.063 -5.361 18220
2526 1 5 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.928 -2.928 18220
2527 1 5 . 1 1 95 95 LEU CB C 86 42.298 42.298 40.875 1.423 18220
2528 1 5 . 1 1 95 95 LEU H H 86 7.718 7.718 8.240 -0.522 18220
2529 1 5 . 1 1 96 96 SER N N 87 115.658 115.658 115.078 0.580 18220
2530 1 5 . 1 1 96 96 SER HA H 87 4.370 4.370 4.091 0.279 18220
2531 1 5 . 1 1 96 96 SER C C 87 172.479 172.479 176.814 -4.335 18220
2532 1 5 . 1 1 96 96 SER CA C 87 57.200 57.200 61.842 -4.642 18220
2533 1 5 . 1 1 96 96 SER CB C 87 64.174 64.174 63.039 1.135 18220
2534 1 5 . 1 1 96 96 SER H H 87 7.659 7.659 8.116 -0.457 18220
2535 1 5 . 1 1 97 97 LEU N N 88 123.720 123.720 121.963 1.757 18220
2536 1 5 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.866 0.734 18220
2537 1 5 . 1 1 97 97 LEU C C 88 175.932 175.932 178.757 -2.825 18220
2538 1 5 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.885 -0.285 18220
2539 1 5 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.983 -0.583 18220
2540 1 5 . 1 1 97 97 LEU H H 88 8.733 8.733 8.077 0.656 18220
2541 1 5 . 1 1 98 98 MET N N 89 116.684 116.684 118.452 -1.768 18220
2542 1 5 . 1 1 98 98 MET HA H 89 4.280 4.280 3.944 0.336 18220
2543 1 5 . 1 1 98 98 MET C C 89 175.789 175.789 178.416 -2.627 18220
2544 1 5 . 1 1 98 98 MET CA C 89 56.915 56.915 59.040 -2.125 18220
2545 1 5 . 1 1 98 98 MET CB C 89 31.007 31.007 32.479 -1.472 18220
2546 1 5 . 1 1 98 98 MET H H 89 8.342 8.342 8.001 0.341 18220
2547 1 5 . 1 1 99 99 MET N N 90 119.182 119.182 119.086 0.096 18220
2548 1 5 . 1 1 99 99 MET HA H 90 4.110 4.110 3.940 0.170 18220
2549 1 5 . 1 1 99 99 MET C C 90 175.588 175.588 178.561 -2.973 18220
2550 1 5 . 1 1 99 99 MET CA C 90 57.951 57.951 59.711 -1.760 18220
2551 1 5 . 1 1 99 99 MET CB C 90 32.226 32.226 32.415 -0.189 18220
2552 1 5 . 1 1 99 99 MET H H 90 7.720 7.720 7.958 -0.238 18220
2553 1 5 . 1 1 100 100 ILE N N 91 119.077 119.077 119.637 -0.560 18220
2554 1 5 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.596 0.514 18220
2555 1 5 . 1 1 100 100 ILE C C 91 174.634 174.634 178.127 -3.493 18220
2556 1 5 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.218 -1.118 18220
2557 1 5 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.595 -0.452 18220
2558 1 5 . 1 1 100 100 ILE H H 91 7.662 7.662 8.084 -0.422 18220
2559 1 5 . 1 1 101 101 LEU N N 92 119.646 119.646 119.487 0.159 18220
2560 1 5 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.947 0.583 18220
2561 1 5 . 1 1 101 101 LEU C C 92 175.430 175.430 179.083 -3.653 18220
2562 1 5 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.098 -0.298 18220
2563 1 5 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.503 -0.745 18220
2564 1 5 . 1 1 101 101 LEU H H 92 8.142 8.142 8.284 -0.142 18220
2565 1 5 . 1 1 102 102 ARG N N 93 116.394 116.394 118.902 -2.508 18220
2566 1 5 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.120 0.020 18220
2567 1 5 . 1 1 102 102 ARG C C 93 175.961 175.961 178.617 -2.656 18220
2568 1 5 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.465 0.635 18220
2569 1 5 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.583 -0.179 18220
2570 1 5 . 1 1 102 102 ARG H H 93 7.893 7.893 8.115 -0.222 18220
2571 1 5 . 1 1 103 103 LEU N N 94 119.114 119.114 120.457 -1.343 18220
2572 1 5 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.008 0.102 18220
2573 1 5 . 1 1 103 103 LEU C C 94 175.889 175.889 178.808 -2.919 18220
2574 1 5 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.270 -0.970 18220
2575 1 5 . 1 1 103 103 LEU CB C 94 41.296 41.296 42.012 -0.716 18220
2576 1 5 . 1 1 103 103 LEU H H 94 7.622 7.622 7.856 -0.234 18220
2577 1 5 . 1 1 104 104 VAL N N 95 117.704 117.704 117.969 -0.265 18220
2578 1 5 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.776 -0.246 18220
2579 1 5 . 1 1 104 104 VAL C C 95 175.042 175.042 177.825 -2.783 18220
2580 1 5 . 1 1 104 104 VAL CA C 95 66.419 66.419 66.015 0.404 18220
2581 1 5 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.634 -0.277 18220
2582 1 5 . 1 1 104 104 VAL H H 95 8.026 8.026 7.411 0.615 18220
2583 1 5 . 1 1 105 105 LEU N N 96 117.185 117.185 121.078 -3.893 18220
2584 1 5 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.952 0.028 18220
2585 1 5 . 1 1 105 105 LEU C C 96 176.579 176.579 178.635 -2.056 18220
2586 1 5 . 1 1 105 105 LEU CA C 96 56.800 56.800 58.081 -1.281 18220
2587 1 5 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.151 -0.200 18220
2588 1 5 . 1 1 105 105 LEU H H 96 7.893 7.893 7.686 0.207 18220
2589 1 5 . 1 1 106 106 LEU N N 97 118.471 118.471 119.611 -1.140 18220
2590 1 5 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.907 0.273 18220
2591 1 5 . 1 1 106 106 LEU C C 97 175.802 175.802 178.708 -2.906 18220
2592 1 5 . 1 1 106 106 LEU CA C 97 56.300 56.300 58.163 -1.863 18220
2593 1 5 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.925 -0.334 18220
2594 1 5 . 1 1 106 106 LEU H H 97 7.545 7.545 8.008 -0.463 18220
2595 1 5 . 1 1 107 107 LEU N N 98 118.162 118.162 119.192 -1.030 18220
2596 1 5 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.053 0.177 18220
2597 1 5 . 1 1 107 107 LEU C C 98 174.174 174.174 178.054 -3.880 18220
2598 1 5 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.688 -0.405 18220
2599 1 5 . 1 1 107 107 LEU CB C 98 42.362 42.362 41.847 0.515 18220
2600 1 5 . 1 1 107 107 LEU H H 98 7.688 7.688 7.652 0.036 18220
2601 1 6 . 1 1 11 11 ASP N N 2 120.536 120.536 122.995 -2.459 18220
2602 1 6 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.356 1.562 18220
2603 1 6 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.215 -3.256 18220
2604 1 6 . 1 1 11 11 ASP H H 2 7.863 7.863 8.376 -0.513 18220
2605 1 6 . 1 1 12 12 LEU N N 3 121.414 121.414 121.520 -0.106 18220
2606 1 6 . 1 1 12 12 LEU C C 3 176.162 176.162 178.129 -1.967 18220
2607 1 6 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.233 2.367 18220
2608 1 6 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.717 -1.060 18220
2609 1 6 . 1 1 12 12 LEU H H 3 8.285 8.285 7.588 0.697 18220
2610 1 6 . 1 1 13 13 ILE N N 4 118.854 118.854 120.388 -1.534 18220
2611 1 6 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.304 -0.564 18220
2612 1 6 . 1 1 13 13 ILE C C 4 175.228 175.228 175.765 -0.537 18220
2613 1 6 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.661 2.839 18220
2614 1 6 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.640 -1.538 18220
2615 1 6 . 1 1 13 13 ILE H H 4 8.031 8.031 8.036 -0.005 18220
2616 1 6 . 1 1 14 14 GLY N N 5 107.478 107.478 109.409 -1.931 18220
2617 1 6 . 1 1 14 14 GLY C C 5 174.424 174.424 175.440 -1.016 18220
2618 1 6 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.676 1.383 18220
2619 1 6 . 1 1 14 14 GLY H H 5 8.148 8.148 8.140 0.008 18220
2620 1 6 . 1 1 15 15 PHE N N 6 122.774 122.774 122.431 0.343 18220
2621 1 6 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.110 0.370 18220
2622 1 6 . 1 1 15 15 PHE C C 6 175.113 175.113 177.081 -1.968 18220
2623 1 6 . 1 1 15 15 PHE CA C 6 60.017 60.017 60.392 -0.375 18220
2624 1 6 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.066 -0.292 18220
2625 1 6 . 1 1 15 15 PHE H H 6 8.194 8.194 8.618 -0.424 18220
2626 1 6 . 1 1 16 16 GLY N N 7 107.938 107.938 106.055 1.883 18220
2627 1 6 . 1 1 16 16 GLY C C 7 171.838 171.838 175.861 -4.023 18220
2628 1 6 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.370 -0.271 18220
2629 1 6 . 1 1 16 16 GLY H H 7 8.697 8.697 8.676 0.021 18220
2630 1 6 . 1 1 17 17 TYR N N 8 121.785 121.785 123.621 -1.836 18220
2631 1 6 . 1 1 17 17 TYR HA H 8 4.150 4.150 3.964 0.186 18220
2632 1 6 . 1 1 17 17 TYR C C 8 174.180 174.180 177.244 -3.064 18220
2633 1 6 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.251 0.049 18220
2634 1 6 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.182 -0.223 18220
2635 1 6 . 1 1 17 17 TYR H H 8 8.710 8.710 8.121 0.589 18220
2636 1 6 . 1 1 18 18 ALA N N 9 120.233 120.233 120.814 -0.581 18220
2637 1 6 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.738 0.212 18220
2638 1 6 . 1 1 18 18 ALA C C 9 178.059 178.059 179.131 -1.072 18220
2639 1 6 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.874 -0.002 18220
2640 1 6 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.446 0.116 18220
2641 1 6 . 1 1 18 18 ALA H H 9 7.843 7.843 8.114 -0.271 18220
2642 1 6 . 1 1 19 19 ALA N N 10 121.797 121.797 120.804 0.993 18220
2643 1 6 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.065 -0.115 18220
2644 1 6 . 1 1 19 19 ALA C C 10 176.191 176.191 179.673 -3.482 18220
2645 1 6 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.620 -0.020 18220
2646 1 6 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.202 -0.640 18220
2647 1 6 . 1 1 19 19 ALA H H 10 8.212 8.212 7.781 0.431 18220
2648 1 6 . 1 1 20 20 LEU N N 11 119.442 119.442 120.237 -0.795 18220
2649 1 6 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.891 0.046 18220
2650 1 6 . 1 1 20 20 LEU C C 11 176.694 176.694 178.613 -1.919 18220
2651 1 6 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.114 -0.314 18220
2652 1 6 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.877 -0.655 18220
2653 1 6 . 1 1 20 20 LEU H H 11 8.065 8.065 7.771 0.294 18220
2654 1 6 . 1 1 21 21 VAL N N 12 118.323 118.323 118.853 -0.530 18220
2655 1 6 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.397 0.243 18220
2656 1 6 . 1 1 21 21 VAL C C 12 176.536 176.536 177.791 -1.255 18220
2657 1 6 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.870 -1.470 18220
2658 1 6 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.820 0.315 18220
2659 1 6 . 1 1 21 21 VAL H H 12 8.051 8.051 8.330 -0.279 18220
2660 1 6 . 1 1 22 22 THR N N 13 118.298 118.298 114.917 3.381 18220
2661 1 6 . 1 1 22 22 THR HA H 13 4.660 4.660 3.858 0.802 18220
2662 1 6 . 1 1 22 22 THR C C 13 173.734 173.734 176.641 -2.907 18220
2663 1 6 . 1 1 22 22 THR CA C 13 66.300 66.300 66.713 -0.413 18220
2664 1 6 . 1 1 22 22 THR CB C 13 67.775 67.775 68.765 -0.990 18220
2665 1 6 . 1 1 22 22 THR H H 13 7.944 7.944 7.880 0.064 18220
2666 1 6 . 1 1 23 23 PHE N N 14 121.328 121.328 120.838 0.490 18220
2667 1 6 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.019 0.321 18220
2668 1 6 . 1 1 23 23 PHE C C 14 174.783 174.783 178.007 -3.224 18220
2669 1 6 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.642 -1.141 18220
2670 1 6 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.498 0.128 18220
2671 1 6 . 1 1 23 23 PHE H H 14 8.567 8.567 8.267 0.300 18220
2672 1 6 . 1 1 24 24 GLY N N 15 106.871 106.871 105.887 0.984 18220
2673 1 6 . 1 1 24 24 GLY C C 15 172.858 172.858 176.343 -3.485 18220
2674 1 6 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.123 -0.223 18220
2675 1 6 . 1 1 24 24 GLY H H 15 8.475 8.475 8.374 0.101 18220
2676 1 6 . 1 1 25 25 SER N N 16 116.214 116.214 118.641 -2.427 18220
2677 1 6 . 1 1 25 25 SER HA H 16 4.280 4.280 3.998 0.282 18220
2678 1 6 . 1 1 25 25 SER CA C 16 60.300 60.300 61.658 -1.358 18220
2679 1 6 . 1 1 25 25 SER CB C 16 62.879 62.879 63.203 -0.324 18220
2680 1 6 . 1 1 25 25 SER H H 16 7.963 7.963 8.174 -0.211 18220
2681 1 6 . 1 1 26 26 ILE N N 17 121.024 121.024 121.363 -0.339 18220
2682 1 6 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.615 0.331 18220
2683 1 6 . 1 1 26 26 ILE C C 17 173.935 173.935 178.036 -4.101 18220
2684 1 6 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.905 -1.805 18220
2685 1 6 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.008 0.099 18220
2686 1 6 . 1 1 26 26 ILE H H 17 7.676 7.676 8.283 -0.607 18220
2687 1 6 . 1 1 27 27 PHE N N 18 117.142 117.142 119.771 -2.629 18220
2688 1 6 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.226 0.204 18220
2689 1 6 . 1 1 27 27 PHE C C 18 173.504 173.504 177.307 -3.803 18220
2690 1 6 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.874 -2.374 18220
2691 1 6 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.976 -0.202 18220
2692 1 6 . 1 1 27 27 PHE H H 18 7.703 7.703 8.282 -0.579 18220
2693 1 6 . 1 1 28 28 GLY N N 19 107.303 107.303 104.059 3.244 18220
2694 1 6 . 1 1 28 28 GLY C C 19 171.593 171.593 173.898 -2.305 18220
2695 1 6 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.003 0.597 18220
2696 1 6 . 1 1 28 28 GLY H H 19 7.722 7.722 7.753 -0.031 18220
2697 1 6 . 1 1 29 29 TYR N N 20 119.862 119.862 119.739 0.123 18220
2698 1 6 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.184 0.208 18220
2699 1 6 . 1 1 29 29 TYR C C 20 173.174 173.174 174.471 -1.297 18220
2700 1 6 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.348 0.152 18220
2701 1 6 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.607 0.797 18220
2702 1 6 . 1 1 29 29 TYR H H 20 7.880 7.880 7.648 0.232 18220
2703 1 6 . 1 1 30 30 LYS N N 21 122.335 122.335 126.902 -4.567 18220
2704 1 6 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.505 -0.115 18220
2705 1 6 . 1 1 30 30 LYS C C 21 173.547 173.547 175.574 -2.027 18220
2706 1 6 . 1 1 30 30 LYS CA C 21 55.800 55.800 55.981 -0.181 18220
2707 1 6 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.207 -0.811 18220
2708 1 6 . 1 1 30 30 LYS H H 21 7.934 7.934 8.349 -0.415 18220
2709 1 6 . 1 1 31 31 ARG N N 22 120.612 120.612 122.268 -1.656 18220
2710 1 6 . 1 1 31 31 ARG C C 22 173.547 173.547 175.284 -1.737 18220
2711 1 6 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.459 -0.625 18220
2712 1 6 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.067 0.034 18220
2713 1 6 . 1 1 31 31 ARG H H 22 7.905 7.905 8.563 -0.658 18220
2714 1 6 . 1 1 32 32 ARG N N 23 121.748 121.748 122.884 -1.136 18220
2715 1 6 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.199 0.111 18220
2716 1 6 . 1 1 32 32 ARG C C 23 173.863 173.863 176.744 -2.881 18220
2717 1 6 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.221 -1.421 18220
2718 1 6 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.342 -0.097 18220
2719 1 6 . 1 1 32 32 ARG H H 23 8.175 8.175 8.403 -0.228 18220
2720 1 6 . 1 1 33 33 GLY N N 24 109.528 109.528 106.672 2.856 18220
2721 1 6 . 1 1 33 33 GLY C C 24 171.752 171.752 173.405 -1.653 18220
2722 1 6 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.994 -0.094 18220
2723 1 6 . 1 1 33 33 GLY H H 24 8.264 8.264 8.314 -0.050 18220
2724 1 6 . 1 1 34 34 GLY N N 25 108.563 108.563 107.627 0.936 18220
2725 1 6 . 1 1 34 34 GLY C C 25 171.701 171.701 173.123 -1.422 18220
2726 1 6 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.316 -0.716 18220
2727 1 6 . 1 1 34 34 GLY H H 25 8.208 8.208 7.843 0.365 18220
2728 1 6 . 1 1 35 35 VAL N N 26 121.164 121.164 119.481 1.683 18220
2729 1 6 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.595 -0.585 18220
2730 1 6 . 1 1 35 35 VAL C C 26 175.888 175.888 175.034 0.854 18220
2731 1 6 . 1 1 35 35 VAL CA C 26 63.900 63.900 59.584 4.316 18220
2732 1 6 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.872 -1.182 18220
2733 1 6 . 1 1 35 35 VAL H H 26 8.485 8.485 8.088 0.397 18220
2734 1 6 . 1 1 36 36 PRO C C 27 177.660 177.660 176.715 0.945 18220
2735 1 6 . 1 1 36 36 PRO CA C 27 61.847 61.847 64.288 -2.442 18220
2736 1 6 . 1 1 37 37 SER N N 28 116.023 116.023 109.888 6.135 18220
2737 1 6 . 1 1 37 37 SER HA H 28 4.280 4.280 4.369 -0.089 18220
2738 1 6 . 1 1 37 37 SER CA C 28 61.100 61.100 58.283 2.817 18220
2739 1 6 . 1 1 37 37 SER H H 28 7.948 7.948 7.812 0.136 18220
2740 1 6 . 1 1 38 38 LEU N N 29 124.029 124.029 123.943 0.086 18220
2741 1 6 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.938 0.232 18220
2742 1 6 . 1 1 38 38 LEU C C 29 176.132 176.132 178.349 -2.217 18220
2743 1 6 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.412 -0.912 18220
2744 1 6 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.847 0.191 18220
2745 1 6 . 1 1 38 38 LEU H H 29 8.201 8.201 8.383 -0.182 18220
2746 1 6 . 1 1 39 39 ILE N N 30 117.098 117.098 118.038 -0.940 18220
2747 1 6 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.677 0.693 18220
2748 1 6 . 1 1 39 39 ILE C C 30 176.478 176.478 177.467 -0.989 18220
2749 1 6 . 1 1 39 39 ILE CA C 30 63.079 63.079 65.169 -2.090 18220
2750 1 6 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.459 -0.486 18220
2751 1 6 . 1 1 39 39 ILE H H 30 7.662 7.662 7.945 -0.283 18220
2752 1 6 . 1 1 40 40 ALA N N 31 122.447 122.447 121.268 1.179 18220
2753 1 6 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.113 -0.079 18220
2754 1 6 . 1 1 40 40 ALA C C 31 177.067 177.067 179.914 -2.847 18220
2755 1 6 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.466 0.496 18220
2756 1 6 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.685 0.171 18220
2757 1 6 . 1 1 40 40 ALA H H 31 8.096 8.096 7.898 0.198 18220
2758 1 6 . 1 1 41 41 GLY N N 32 104.056 104.056 106.891 -2.835 18220
2759 1 6 . 1 1 41 41 GLY C C 32 174.251 174.251 176.337 -2.086 18220
2760 1 6 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.812 -0.312 18220
2761 1 6 . 1 1 41 41 GLY H H 32 8.123 8.123 7.808 0.315 18220
2762 1 6 . 1 1 42 42 LEU N N 33 123.250 123.250 123.635 -0.385 18220
2763 1 6 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.181 -0.324 18220
2764 1 6 . 1 1 42 42 LEU C C 33 176.033 176.033 178.640 -2.607 18220
2765 1 6 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.569 -1.901 18220
2766 1 6 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.081 -0.360 18220
2767 1 6 . 1 1 42 42 LEU H H 33 7.914 7.914 8.039 -0.125 18220
2768 1 6 . 1 1 43 43 PHE N N 34 119.757 119.757 119.932 -0.175 18220
2769 1 6 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.157 0.043 18220
2770 1 6 . 1 1 43 43 PHE C C 34 174.374 174.374 177.504 -3.130 18220
2771 1 6 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.091 -2.215 18220
2772 1 6 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.969 -0.135 18220
2773 1 6 . 1 1 43 43 PHE H H 34 8.287 8.287 8.690 -0.403 18220
2774 1 6 . 1 1 44 44 VAL N N 35 117.791 117.791 118.806 -1.015 18220
2775 1 6 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.607 0.003 18220
2776 1 6 . 1 1 44 44 VAL C C 35 176.205 176.205 178.360 -2.155 18220
2777 1 6 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.843 -2.284 18220
2778 1 6 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.995 0.437 18220
2779 1 6 . 1 1 44 44 VAL H H 35 8.235 8.235 8.454 -0.219 18220
2780 1 6 . 1 1 45 45 GLY N N 36 108.551 108.551 107.417 1.134 18220
2781 1 6 . 1 1 45 45 GLY C C 36 173.749 173.749 175.839 -2.090 18220
2782 1 6 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.525 -1.442 18220
2783 1 6 . 1 1 45 45 GLY H H 36 8.178 8.178 8.386 -0.208 18220
2784 1 6 . 1 1 46 46 CYS N N 37 121.173 121.173 121.528 -0.355 18220
2785 1 6 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.173 0.007 18220
2786 1 6 . 1 1 46 46 CYS C C 37 173.710 173.710 176.663 -2.953 18220
2787 1 6 . 1 1 46 46 CYS CA C 37 63.000 63.000 62.770 0.230 18220
2788 1 6 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.350 32.933 18220
2789 1 6 . 1 1 46 46 CYS H H 37 8.253 8.253 8.041 0.212 18220
2790 1 6 . 1 1 47 47 LEU N N 38 120.283 120.283 120.985 -0.702 18220
2791 1 6 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.688 0.372 18220
2792 1 6 . 1 1 47 47 LEU C C 38 176.679 176.679 178.594 -1.915 18220
2793 1 6 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.213 -2.186 18220
2794 1 6 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.691 -0.227 18220
2795 1 6 . 1 1 47 47 LEU H H 38 7.965 7.965 8.127 -0.162 18220
2796 1 6 . 1 1 48 48 ALA N N 39 122.249 122.249 120.698 1.551 18220
2797 1 6 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.949 0.193 18220
2798 1 6 . 1 1 48 48 ALA C C 39 177.915 177.915 179.485 -1.570 18220
2799 1 6 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.329 -1.612 18220
2800 1 6 . 1 1 48 48 ALA CB C 39 17.985 17.985 17.917 0.068 18220
2801 1 6 . 1 1 48 48 ALA H H 39 8.066 8.066 8.408 -0.342 18220
2802 1 6 . 1 1 49 49 GLY N N 40 107.377 107.377 107.335 0.042 18220
2803 1 6 . 1 1 49 49 GLY C C 40 172.527 172.527 175.870 -3.343 18220
2804 1 6 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.120 -1.669 18220
2805 1 6 . 1 1 49 49 GLY H H 40 8.172 8.172 8.114 0.058 18220
2806 1 6 . 1 1 50 50 TYR N N 41 122.409 122.409 123.845 -1.436 18220
2807 1 6 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.052 -0.253 18220
2808 1 6 . 1 1 50 50 TYR C C 41 174.208 174.208 178.278 -4.070 18220
2809 1 6 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.591 -2.346 18220
2810 1 6 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.157 -0.221 18220
2811 1 6 . 1 1 50 50 TYR H H 41 7.800 7.800 8.316 -0.516 18220
2812 1 6 . 1 1 51 51 GLY N N 42 106.935 106.935 105.776 1.159 18220
2813 1 6 . 1 1 51 51 GLY C C 42 172.642 172.642 175.604 -2.962 18220
2814 1 6 . 1 1 51 51 GLY CA C 42 46.265 46.265 47.056 -0.791 18220
2815 1 6 . 1 1 51 51 GLY H H 42 8.199 8.199 8.186 0.013 18220
2816 1 6 . 1 1 52 52 ALA N N 43 123.018 123.018 124.748 -1.730 18220
2817 1 6 . 1 1 52 52 ALA HA H 43 4.150 4.150 3.917 0.233 18220
2818 1 6 . 1 1 52 52 ALA C C 43 176.398 176.398 179.291 -2.893 18220
2819 1 6 . 1 1 52 52 ALA CA C 43 52.883 52.883 55.125 -2.242 18220
2820 1 6 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.407 -0.166 18220
2821 1 6 . 1 1 52 52 ALA H H 43 7.758 7.758 8.444 -0.686 18220
2822 1 6 . 1 1 53 53 TYR N N 44 119.664 119.664 119.718 -0.054 18220
2823 1 6 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.260 0.058 18220
2824 1 6 . 1 1 53 53 TYR C C 44 174.180 174.180 177.564 -3.384 18220
2825 1 6 . 1 1 53 53 TYR CA C 44 58.593 58.593 59.861 -1.268 18220
2826 1 6 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.504 -0.312 18220
2827 1 6 . 1 1 53 53 TYR H H 44 7.920 7.920 8.052 -0.132 18220
2828 1 6 . 1 1 54 54 ARG N N 45 119.516 119.516 119.000 0.516 18220
2829 1 6 . 1 1 54 54 ARG HA H 45 3.930 3.930 3.988 -0.058 18220
2830 1 6 . 1 1 54 54 ARG C C 45 174.423 174.423 178.004 -3.581 18220
2831 1 6 . 1 1 54 54 ARG CA C 45 56.027 56.027 58.541 -2.514 18220
2832 1 6 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.676 -0.503 18220
2833 1 6 . 1 1 54 54 ARG H H 45 7.956 7.956 8.073 -0.117 18220
2834 1 6 . 1 1 55 55 VAL N N 46 116.437 116.437 115.369 1.068 18220
2835 1 6 . 1 1 55 55 VAL HA H 46 4.060 4.060 4.015 0.045 18220
2836 1 6 . 1 1 55 55 VAL C C 46 173.806 173.806 176.475 -2.669 18220
2837 1 6 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.194 -0.895 18220
2838 1 6 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.852 -0.331 18220
2839 1 6 . 1 1 55 55 VAL H H 46 7.489 7.489 8.149 -0.660 18220
2840 1 6 . 1 1 56 56 SER N N 47 117.185 117.185 116.500 0.685 18220
2841 1 6 . 1 1 56 56 SER HA H 47 4.401 4.401 4.118 0.283 18220
2842 1 6 . 1 1 56 56 SER C C 47 172.074 172.074 173.983 -1.909 18220
2843 1 6 . 1 1 56 56 SER CA C 47 58.133 58.133 59.540 -1.407 18220
2844 1 6 . 1 1 56 56 SER CB C 47 63.468 63.468 62.315 1.153 18220
2845 1 6 . 1 1 56 56 SER H H 47 7.728 7.728 8.159 -0.431 18220
2846 1 6 . 1 1 57 57 ASN N N 48 121.049 121.049 121.385 -0.336 18220
2847 1 6 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.813 -0.223 18220
2848 1 6 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.709 -0.109 18220
2849 1 6 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.513 -0.872 18220
2850 1 6 . 1 1 57 57 ASN H H 48 8.228 8.228 8.671 -0.443 18220
2851 1 6 . 1 1 58 58 ASP N N 49 120.276 120.276 119.784 0.492 18220
2852 1 6 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.544 -0.014 18220
2853 1 6 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.221 -1.019 18220
2854 1 6 . 1 1 58 58 ASP CB C 49 40.374 40.374 40.931 -0.557 18220
2855 1 6 . 1 1 58 58 ASP H H 49 8.192 8.192 8.433 -0.241 18220
2856 1 6 . 1 1 59 59 LYS N N 50 120.660 120.660 117.287 3.373 18220
2857 1 6 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.377 -0.177 18220
2858 1 6 . 1 1 59 59 LYS C C 50 173.474 173.474 174.235 -0.761 18220
2859 1 6 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.199 0.101 18220
2860 1 6 . 1 1 59 59 LYS CB C 50 32.034 32.034 33.897 -1.863 18220
2861 1 6 . 1 1 59 59 LYS H H 50 8.003 8.003 7.848 0.155 18220
2862 1 6 . 1 1 60 60 ARG N N 51 121.278 121.278 119.821 1.457 18220
2863 1 6 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.589 -0.389 18220
2864 1 6 . 1 1 60 60 ARG C C 51 173.303 173.303 174.177 -0.874 18220
2865 1 6 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.285 -0.002 18220
2866 1 6 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.170 -0.932 18220
2867 1 6 . 1 1 60 60 ARG H H 51 8.091 8.091 8.492 -0.401 18220
2868 1 6 . 1 1 61 61 ASP N N 52 121.185 121.185 123.051 -1.866 18220
2869 1 6 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.698 -0.083 18220
2870 1 6 . 1 1 61 61 ASP C C 52 173.777 173.777 176.205 -2.428 18220
2871 1 6 . 1 1 61 61 ASP CA C 52 53.979 53.979 53.247 0.732 18220
2872 1 6 . 1 1 61 61 ASP CB C 52 40.245 40.245 43.394 -3.149 18220
2873 1 6 . 1 1 61 61 ASP H H 52 8.261 8.261 7.893 0.368 18220
2874 1 6 . 1 1 62 62 VAL N N 53 121.902 121.902 122.074 -0.172 18220
2875 1 6 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.846 0.104 18220
2876 1 6 . 1 1 62 62 VAL C C 53 173.279 173.279 176.977 -3.698 18220
2877 1 6 . 1 1 62 62 VAL CA C 53 63.176 63.176 64.647 -1.472 18220
2878 1 6 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.211 -0.112 18220
2879 1 6 . 1 1 62 62 VAL H H 53 7.997 7.997 8.206 -0.209 18220
2880 1 6 . 1 1 63 63 LYS N N 54 123.522 123.522 119.192 4.330 18220
2881 1 6 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.052 0.208 18220
2882 1 6 . 1 1 63 63 LYS C C 54 174.481 174.481 178.749 -4.268 18220
2883 1 6 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.310 -2.963 18220
2884 1 6 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.649 0.450 18220
2885 1 6 . 1 1 63 63 LYS H H 54 8.054 8.054 8.341 -0.287 18220
2886 1 6 . 1 1 64 64 VAL N N 55 120.647 120.647 117.116 3.531 18220
2887 1 6 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.555 0.392 18220
2888 1 6 . 1 1 64 64 VAL C C 55 174.955 174.955 178.121 -3.166 18220
2889 1 6 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.535 -1.935 18220
2890 1 6 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.241 0.636 18220
2891 1 6 . 1 1 64 64 VAL H H 55 8.225 8.225 7.801 0.424 18220
2892 1 6 . 1 1 65 65 SER N N 56 117.785 117.785 115.071 2.714 18220
2893 1 6 . 1 1 65 65 SER HA H 56 4.390 4.390 4.211 0.179 18220
2894 1 6 . 1 1 65 65 SER C C 56 172.300 172.300 176.927 -4.627 18220
2895 1 6 . 1 1 65 65 SER CA C 56 60.000 60.000 61.444 -1.444 18220
2896 1 6 . 1 1 65 65 SER CB C 56 62.879 62.879 62.552 0.327 18220
2897 1 6 . 1 1 65 65 SER H H 56 8.260 8.260 8.095 0.165 18220
2898 1 6 . 1 1 66 66 LEU N N 57 123.318 123.318 121.562 1.756 18220
2899 1 6 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.136 -0.046 18220
2900 1 6 . 1 1 66 66 LEU C C 57 175.932 175.932 179.125 -3.193 18220
2901 1 6 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.880 -0.379 18220
2902 1 6 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.260 0.461 18220
2903 1 6 . 1 1 66 66 LEU H H 57 8.091 8.091 7.786 0.305 18220
2904 1 6 . 1 1 67 67 PHE N N 58 118.020 118.020 119.486 -1.466 18220
2905 1 6 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.399 -0.069 18220
2906 1 6 . 1 1 67 67 PHE C C 58 174.912 174.912 177.453 -2.541 18220
2907 1 6 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.395 -0.795 18220
2908 1 6 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.985 -0.433 18220
2909 1 6 . 1 1 67 67 PHE H H 58 8.066 8.066 8.591 -0.525 18220
2910 1 6 . 1 1 68 68 THR N N 59 115.324 115.324 118.395 -3.071 18220
2911 1 6 . 1 1 68 68 THR HA H 59 4.310 4.310 4.167 0.143 18220
2912 1 6 . 1 1 68 68 THR C C 59 173.380 173.380 176.391 -3.011 18220
2913 1 6 . 1 1 68 68 THR CA C 59 66.313 66.313 67.011 -0.698 18220
2914 1 6 . 1 1 68 68 THR CB C 59 67.700 67.700 68.467 -0.767 18220
2915 1 6 . 1 1 68 68 THR H H 59 8.287 8.287 8.349 -0.062 18220
2916 1 6 . 1 1 69 69 ALA N N 60 123.621 123.621 124.617 -0.996 18220
2917 1 6 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.309 -0.029 18220
2918 1 6 . 1 1 69 69 ALA C C 60 176.978 176.978 179.229 -2.251 18220
2919 1 6 . 1 1 69 69 ALA CA C 60 55.100 55.100 54.903 0.197 18220
2920 1 6 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.163 -0.435 18220
2921 1 6 . 1 1 69 69 ALA H H 60 7.983 7.983 8.333 -0.350 18220
2922 1 6 . 1 1 70 70 PHE N N 61 118.520 118.520 120.221 -1.701 18220
2923 1 6 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.122 0.138 18220
2924 1 6 . 1 1 70 70 PHE C C 61 175.369 175.369 176.974 -1.605 18220
2925 1 6 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.463 -1.284 18220
2926 1 6 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.187 -0.481 18220
2927 1 6 . 1 1 70 70 PHE H H 61 8.007 8.007 8.385 -0.378 18220
2928 1 6 . 1 1 71 71 PHE N N 62 122.314 122.314 119.523 2.791 18220
2929 1 6 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.082 -0.082 18220
2930 1 6 . 1 1 71 71 PHE C C 62 174.697 174.697 177.108 -2.411 18220
2931 1 6 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.810 -1.293 18220
2932 1 6 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.021 -0.251 18220
2933 1 6 . 1 1 71 71 PHE H H 62 8.546 8.546 8.051 0.495 18220
2934 1 6 . 1 1 72 72 LEU N N 63 119.399 119.399 120.543 -1.144 18220
2935 1 6 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.848 0.022 18220
2936 1 6 . 1 1 72 72 LEU C C 63 175.774 175.774 178.479 -2.705 18220
2937 1 6 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.386 -1.461 18220
2938 1 6 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.886 -0.679 18220
2939 1 6 . 1 1 72 72 LEU H H 63 8.396 8.396 8.117 0.279 18220
2940 1 6 . 1 1 73 73 ALA N N 64 120.221 120.221 119.933 0.288 18220
2941 1 6 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.857 0.103 18220
2942 1 6 . 1 1 73 73 ALA C C 64 177.267 177.267 179.371 -2.104 18220
2943 1 6 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.225 -0.625 18220
2944 1 6 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.910 -0.126 18220
2945 1 6 . 1 1 73 73 ALA H H 64 8.025 8.025 8.216 -0.191 18220
2946 1 6 . 1 1 74 74 THR N N 65 113.648 113.648 114.543 -0.895 18220
2947 1 6 . 1 1 74 74 THR HA H 65 3.980 3.980 3.899 0.081 18220
2948 1 6 . 1 1 74 74 THR CA C 65 66.291 66.291 66.454 -0.163 18220
2949 1 6 . 1 1 74 74 THR CB C 65 67.914 67.914 68.293 -0.379 18220
2950 1 6 . 1 1 74 74 THR H H 65 7.717 7.717 7.813 -0.096 18220
2951 1 6 . 1 1 75 75 ILE N N 66 120.291 120.291 120.109 0.182 18220
2952 1 6 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.747 -0.007 18220
2953 1 6 . 1 1 75 75 ILE C C 66 174.951 174.951 177.166 -2.215 18220
2954 1 6 . 1 1 75 75 ILE CA C 66 64.880 64.880 62.828 2.053 18220
2955 1 6 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.316 -0.150 18220
2956 1 6 . 1 1 75 75 ILE H H 66 7.738 7.738 7.893 -0.155 18220
2957 1 6 . 1 1 76 76 MET N N 67 117.618 117.618 116.145 1.473 18220
2958 1 6 . 1 1 76 76 MET HA H 67 4.220 4.220 4.286 -0.066 18220
2959 1 6 . 1 1 76 76 MET C C 67 175.142 175.142 177.733 -2.591 18220
2960 1 6 . 1 1 76 76 MET CA C 67 56.723 56.723 57.213 -0.490 18220
2961 1 6 . 1 1 76 76 MET CB C 67 31.951 31.951 33.305 -1.354 18220
2962 1 6 . 1 1 76 76 MET H H 67 7.823 7.823 8.073 -0.250 18220
2963 1 6 . 1 1 77 77 GLY N N 68 107.110 107.110 105.911 1.199 18220
2964 1 6 . 1 1 77 77 GLY C C 68 172.260 172.260 173.021 -0.761 18220
2965 1 6 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.864 0.936 18220
2966 1 6 . 1 1 77 77 GLY H H 68 7.937 7.937 8.293 -0.356 18220
2967 1 6 . 1 1 78 78 VAL N N 69 120.431 120.431 123.472 -3.041 18220
2968 1 6 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.259 -0.039 18220
2969 1 6 . 1 1 78 78 VAL CA C 69 63.900 63.900 60.429 3.471 18220
2970 1 6 . 1 1 78 78 VAL CB C 69 31.506 31.506 34.159 -2.653 18220
2971 1 6 . 1 1 78 78 VAL H H 69 7.697 7.697 8.060 -0.363 18220
2972 1 6 . 1 1 79 79 ARG N N 70 121.420 121.420 127.432 -6.012 18220
2973 1 6 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.435 -0.625 18220
2974 1 6 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.092 0.308 18220
2975 1 6 . 1 1 79 79 ARG CB C 70 30.097 30.097 29.689 0.409 18220
2976 1 6 . 1 1 79 79 ARG H H 70 7.889 7.889 8.429 -0.540 18220
2977 1 6 . 1 1 80 80 PHE N N 71 119.949 119.949 124.836 -4.887 18220
2978 1 6 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.419 0.091 18220
2979 1 6 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.312 0.288 18220
2980 1 6 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.700 -0.555 18220
2981 1 6 . 1 1 80 80 PHE H H 71 8.101 8.101 8.360 -0.259 18220
2982 1 6 . 1 1 81 81 LYS N N 72 122.193 122.193 119.371 2.822 18220
2983 1 6 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.994 -0.194 18220
2984 1 6 . 1 1 81 81 LYS CB C 72 32.322 32.322 31.549 0.773 18220
2985 1 6 . 1 1 81 81 LYS H H 72 8.090 8.090 8.521 -0.431 18220
2986 1 6 . 1 1 82 82 ARG N N 73 119.650 119.650 120.606 -0.956 18220
2987 1 6 . 1 1 82 82 ARG CA C 73 56.089 56.089 55.966 0.123 18220
2988 1 6 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.506 -1.335 18220
2989 1 6 . 1 1 82 82 ARG H H 73 8.052 8.052 8.127 -0.075 18220
2990 1 6 . 1 1 83 83 SER N N 74 115.734 115.734 118.139 -2.405 18220
2991 1 6 . 1 1 83 83 SER CA C 74 58.355 58.355 58.808 -0.453 18220
2992 1 6 . 1 1 83 83 SER CB C 74 63.404 63.404 63.641 -0.237 18220
2993 1 6 . 1 1 83 83 SER H H 74 7.912 7.912 8.033 -0.121 18220
2994 1 6 . 1 1 84 84 LYS N N 75 122.370 122.370 124.729 -2.359 18220
2995 1 6 . 1 1 84 84 LYS CA C 75 56.135 56.135 55.824 0.311 18220
2996 1 6 . 1 1 84 84 LYS CB C 75 32.175 32.175 30.993 1.182 18220
2997 1 6 . 1 1 84 84 LYS H H 75 8.067 8.067 8.486 -0.419 18220
2998 1 6 . 1 1 86 86 ILE N N 77 119.592 119.592 121.509 -1.917 18220
2999 1 6 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.240 -0.430 18220
3000 1 6 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.280 3.620 18220
3001 1 6 . 1 1 86 86 ILE CB C 77 39.145 39.145 37.447 1.698 18220
3002 1 6 . 1 1 86 86 ILE H H 77 7.837 7.837 8.510 -0.673 18220
3003 1 6 . 1 1 87 87 MET N N 78 121.645 121.645 122.516 -0.871 18220
3004 1 6 . 1 1 87 87 MET CA C 78 52.982 52.982 58.036 -5.054 18220
3005 1 6 . 1 1 87 87 MET CB C 78 32.173 32.173 31.722 0.451 18220
3006 1 6 . 1 1 87 87 MET H H 78 7.950 7.950 8.402 -0.452 18220
3007 1 6 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.401 -0.261 18220
3008 1 6 . 1 1 88 88 PRO C C 79 173.921 173.921 178.073 -4.152 18220
3009 1 6 . 1 1 88 88 PRO CA C 79 62.800 62.800 65.757 -2.957 18220
3010 1 6 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.492 -0.356 18220
3011 1 6 . 1 1 89 89 ALA N N 80 124.431 124.431 120.978 3.453 18220
3012 1 6 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.084 0.316 18220
3013 1 6 . 1 1 89 89 ALA C C 80 176.234 176.234 179.836 -3.602 18220
3014 1 6 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.953 -1.653 18220
3015 1 6 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.285 0.213 18220
3016 1 6 . 1 1 89 89 ALA H H 80 8.320 8.320 8.279 0.041 18220
3017 1 6 . 1 1 90 90 GLY N N 81 106.834 106.834 107.026 -0.192 18220
3018 1 6 . 1 1 90 90 GLY C C 81 172.398 172.398 176.202 -3.804 18220
3019 1 6 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.251 -1.651 18220
3020 1 6 . 1 1 90 90 GLY H H 81 8.458 8.458 8.467 -0.009 18220
3021 1 6 . 1 1 91 91 LEU N N 82 121.043 121.043 122.348 -1.305 18220
3022 1 6 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.049 0.151 18220
3023 1 6 . 1 1 91 91 LEU C C 82 174.783 174.783 178.955 -4.172 18220
3024 1 6 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.772 -1.472 18220
3025 1 6 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.348 0.758 18220
3026 1 6 . 1 1 91 91 LEU H H 82 7.687 7.687 7.579 0.108 18220
3027 1 6 . 1 1 92 92 VAL N N 83 114.737 114.737 118.372 -3.635 18220
3028 1 6 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.591 0.389 18220
3029 1 6 . 1 1 92 92 VAL C C 83 173.634 173.634 178.032 -4.398 18220
3030 1 6 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.386 -3.986 18220
3031 1 6 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.998 0.587 18220
3032 1 6 . 1 1 92 92 VAL H H 83 7.602 7.602 7.889 -0.287 18220
3033 1 6 . 1 1 93 93 ALA N N 84 124.320 124.320 121.595 2.725 18220
3034 1 6 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.150 0.000 18220
3035 1 6 . 1 1 93 93 ALA C C 84 175.746 175.746 179.732 -3.986 18220
3036 1 6 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.190 -1.890 18220
3037 1 6 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.114 0.127 18220
3038 1 6 . 1 1 93 93 ALA H H 84 7.891 7.891 8.237 -0.346 18220
3039 1 6 . 1 1 94 94 GLY N N 85 106.807 106.807 108.172 -1.365 18220
3040 1 6 . 1 1 94 94 GLY C C 85 171.752 171.752 176.068 -4.316 18220
3041 1 6 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.855 -1.606 18220
3042 1 6 . 1 1 94 94 GLY H H 85 8.204 8.204 8.095 0.109 18220
3043 1 6 . 1 1 95 95 LEU N N 86 121.266 121.266 121.868 -0.602 18220
3044 1 6 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.911 0.469 18220
3045 1 6 . 1 1 95 95 LEU C C 86 173.702 173.702 179.323 -5.621 18220
3046 1 6 . 1 1 95 95 LEU CA C 86 55.000 55.000 58.037 -3.037 18220
3047 1 6 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.685 0.613 18220
3048 1 6 . 1 1 95 95 LEU H H 86 7.718 7.718 8.398 -0.680 18220
3049 1 6 . 1 1 96 96 SER N N 87 115.658 115.658 114.718 0.940 18220
3050 1 6 . 1 1 96 96 SER HA H 87 4.370 4.370 4.172 0.198 18220
3051 1 6 . 1 1 96 96 SER C C 87 172.479 172.479 176.492 -4.013 18220
3052 1 6 . 1 1 96 96 SER CA C 87 57.200 57.200 61.947 -4.747 18220
3053 1 6 . 1 1 96 96 SER CB C 87 64.174 64.174 63.188 0.986 18220
3054 1 6 . 1 1 96 96 SER H H 87 7.659 7.659 8.101 -0.442 18220
3055 1 6 . 1 1 97 97 LEU N N 88 123.720 123.720 122.250 1.470 18220
3056 1 6 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.959 0.641 18220
3057 1 6 . 1 1 97 97 LEU C C 88 175.932 175.932 178.867 -2.935 18220
3058 1 6 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.980 -0.380 18220
3059 1 6 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.275 0.125 18220
3060 1 6 . 1 1 97 97 LEU H H 88 8.733 8.733 8.101 0.632 18220
3061 1 6 . 1 1 98 98 MET N N 89 116.684 116.684 118.506 -1.822 18220
3062 1 6 . 1 1 98 98 MET HA H 89 4.280 4.280 4.038 0.242 18220
3063 1 6 . 1 1 98 98 MET C C 89 175.789 175.789 178.619 -2.830 18220
3064 1 6 . 1 1 98 98 MET CA C 89 56.915 56.915 58.384 -1.469 18220
3065 1 6 . 1 1 98 98 MET CB C 89 31.007 31.007 32.200 -1.192 18220
3066 1 6 . 1 1 98 98 MET H H 89 8.342 8.342 8.096 0.246 18220
3067 1 6 . 1 1 99 99 MET N N 90 119.182 119.182 119.326 -0.144 18220
3068 1 6 . 1 1 99 99 MET HA H 90 4.110 4.110 3.977 0.133 18220
3069 1 6 . 1 1 99 99 MET C C 90 175.588 175.588 178.467 -2.879 18220
3070 1 6 . 1 1 99 99 MET CA C 90 57.951 57.951 59.711 -1.760 18220
3071 1 6 . 1 1 99 99 MET CB C 90 32.226 32.226 32.469 -0.243 18220
3072 1 6 . 1 1 99 99 MET H H 90 7.720 7.720 7.918 -0.198 18220
3073 1 6 . 1 1 100 100 ILE N N 91 119.077 119.077 119.851 -0.774 18220
3074 1 6 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.589 0.521 18220
3075 1 6 . 1 1 100 100 ILE C C 91 174.634 174.634 178.107 -3.473 18220
3076 1 6 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.716 -1.617 18220
3077 1 6 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.689 -0.546 18220
3078 1 6 . 1 1 100 100 ILE H H 91 7.662 7.662 8.092 -0.430 18220
3079 1 6 . 1 1 101 101 LEU N N 92 119.646 119.646 119.127 0.519 18220
3080 1 6 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.870 0.660 18220
3081 1 6 . 1 1 101 101 LEU C C 92 175.430 175.430 179.011 -3.581 18220
3082 1 6 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.882 -0.082 18220
3083 1 6 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.720 -0.962 18220
3084 1 6 . 1 1 101 101 LEU H H 92 8.142 8.142 8.137 0.005 18220
3085 1 6 . 1 1 102 102 ARG N N 93 116.394 116.394 120.006 -3.612 18220
3086 1 6 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.048 0.092 18220
3087 1 6 . 1 1 102 102 ARG C C 93 175.961 175.961 178.485 -2.524 18220
3088 1 6 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.984 0.116 18220
3089 1 6 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.601 -0.197 18220
3090 1 6 . 1 1 102 102 ARG H H 93 7.893 7.893 8.126 -0.233 18220
3091 1 6 . 1 1 103 103 LEU N N 94 119.114 119.114 118.946 0.168 18220
3092 1 6 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.019 0.091 18220
3093 1 6 . 1 1 103 103 LEU C C 94 175.889 175.889 178.725 -2.836 18220
3094 1 6 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.862 -0.562 18220
3095 1 6 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.828 -0.532 18220
3096 1 6 . 1 1 103 103 LEU H H 94 7.622 7.622 8.075 -0.453 18220
3097 1 6 . 1 1 104 104 VAL N N 95 117.704 117.704 117.722 -0.018 18220
3098 1 6 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.863 -0.333 18220
3099 1 6 . 1 1 104 104 VAL C C 95 175.042 175.042 178.186 -3.144 18220
3100 1 6 . 1 1 104 104 VAL CA C 95 66.419 66.419 64.623 1.796 18220
3101 1 6 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.393 -0.036 18220
3102 1 6 . 1 1 104 104 VAL H H 95 8.026 8.026 7.080 0.946 18220
3103 1 6 . 1 1 105 105 LEU N N 96 117.185 117.185 121.309 -4.124 18220
3104 1 6 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.936 0.044 18220
3105 1 6 . 1 1 105 105 LEU C C 96 176.579 176.579 178.979 -2.400 18220
3106 1 6 . 1 1 105 105 LEU CA C 96 56.800 56.800 58.150 -1.350 18220
3107 1 6 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.233 -0.283 18220
3108 1 6 . 1 1 105 105 LEU H H 96 7.893 7.893 8.025 -0.132 18220
3109 1 6 . 1 1 106 106 LEU N N 97 118.471 118.471 119.533 -1.062 18220
3110 1 6 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.954 0.226 18220
3111 1 6 . 1 1 106 106 LEU C C 97 175.802 175.802 178.771 -2.969 18220
3112 1 6 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.453 -1.153 18220
3113 1 6 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.123 0.469 18220
3114 1 6 . 1 1 106 106 LEU H H 97 7.545 7.545 8.244 -0.699 18220
3115 1 6 . 1 1 107 107 LEU N N 98 118.162 118.162 119.135 -0.973 18220
3116 1 6 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.036 0.194 18220
3117 1 6 . 1 1 107 107 LEU C C 98 174.174 174.174 177.959 -3.785 18220
3118 1 6 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.455 -0.172 18220
3119 1 6 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.495 -0.133 18220
3120 1 6 . 1 1 107 107 LEU H H 98 7.688 7.688 7.632 0.056 18220
3121 1 7 . 1 1 11 11 ASP N N 2 120.536 120.536 121.536 -1.000 18220
3122 1 7 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.599 1.319 18220
3123 1 7 . 1 1 11 11 ASP CB C 2 37.959 37.959 40.774 -2.815 18220
3124 1 7 . 1 1 11 11 ASP H H 2 7.863 7.863 8.307 -0.444 18220
3125 1 7 . 1 1 12 12 LEU N N 3 121.414 121.414 122.390 -0.976 18220
3126 1 7 . 1 1 12 12 LEU C C 3 176.162 176.162 176.365 -0.203 18220
3127 1 7 . 1 1 12 12 LEU CA C 3 57.600 57.600 54.977 2.623 18220
3128 1 7 . 1 1 12 12 LEU CB C 3 41.657 41.657 41.852 -0.195 18220
3129 1 7 . 1 1 12 12 LEU H H 3 8.285 8.285 8.105 0.180 18220
3130 1 7 . 1 1 13 13 ILE N N 4 118.854 118.854 117.395 1.459 18220
3131 1 7 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.570 -0.830 18220
3132 1 7 . 1 1 13 13 ILE C C 4 175.228 175.228 176.337 -1.109 18220
3133 1 7 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.530 2.970 18220
3134 1 7 . 1 1 13 13 ILE CB C 4 37.102 37.102 39.899 -2.797 18220
3135 1 7 . 1 1 13 13 ILE H H 4 8.031 8.031 8.302 -0.271 18220
3136 1 7 . 1 1 14 14 GLY N N 5 107.478 107.478 109.460 -1.982 18220
3137 1 7 . 1 1 14 14 GLY C C 5 174.424 174.424 173.475 0.949 18220
3138 1 7 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.106 1.953 18220
3139 1 7 . 1 1 14 14 GLY H H 5 8.148 8.148 7.865 0.283 18220
3140 1 7 . 1 1 15 15 PHE N N 6 122.774 122.774 125.112 -2.338 18220
3141 1 7 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.550 -0.070 18220
3142 1 7 . 1 1 15 15 PHE C C 6 175.113 175.113 177.015 -1.902 18220
3143 1 7 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.271 0.746 18220
3144 1 7 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.882 -1.108 18220
3145 1 7 . 1 1 15 15 PHE H H 6 8.194 8.194 8.535 -0.341 18220
3146 1 7 . 1 1 16 16 GLY N N 7 107.938 107.938 108.270 -0.332 18220
3147 1 7 . 1 1 16 16 GLY C C 7 171.838 171.838 176.071 -4.233 18220
3148 1 7 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.601 -0.501 18220
3149 1 7 . 1 1 16 16 GLY H H 7 8.697 8.697 8.614 0.083 18220
3150 1 7 . 1 1 17 17 TYR N N 8 121.785 121.785 123.168 -1.383 18220
3151 1 7 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.139 0.011 18220
3152 1 7 . 1 1 17 17 TYR C C 8 174.180 174.180 177.580 -3.400 18220
3153 1 7 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.335 -0.035 18220
3154 1 7 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.377 -0.418 18220
3155 1 7 . 1 1 17 17 TYR H H 8 8.710 8.710 8.416 0.294 18220
3156 1 7 . 1 1 18 18 ALA N N 9 120.233 120.233 120.466 -0.233 18220
3157 1 7 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.955 -0.005 18220
3158 1 7 . 1 1 18 18 ALA C C 9 178.059 178.059 178.957 -0.898 18220
3159 1 7 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.143 -0.271 18220
3160 1 7 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.699 -0.137 18220
3161 1 7 . 1 1 18 18 ALA H H 9 7.843 7.843 8.304 -0.461 18220
3162 1 7 . 1 1 19 19 ALA N N 10 121.797 121.797 121.405 0.392 18220
3163 1 7 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.246 -0.296 18220
3164 1 7 . 1 1 19 19 ALA C C 10 176.191 176.191 179.703 -3.512 18220
3165 1 7 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.634 -0.034 18220
3166 1 7 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.416 -0.854 18220
3167 1 7 . 1 1 19 19 ALA H H 10 8.212 8.212 7.906 0.306 18220
3168 1 7 . 1 1 20 20 LEU N N 11 119.442 119.442 121.278 -1.836 18220
3169 1 7 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.129 -0.192 18220
3170 1 7 . 1 1 20 20 LEU C C 11 176.694 176.694 178.691 -1.997 18220
3171 1 7 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.085 -0.285 18220
3172 1 7 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.862 -0.640 18220
3173 1 7 . 1 1 20 20 LEU H H 11 8.065 8.065 7.977 0.088 18220
3174 1 7 . 1 1 21 21 VAL N N 12 118.323 118.323 118.252 0.071 18220
3175 1 7 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.461 0.179 18220
3176 1 7 . 1 1 21 21 VAL C C 12 176.536 176.536 177.987 -1.451 18220
3177 1 7 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.240 -1.840 18220
3178 1 7 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.171 -0.036 18220
3179 1 7 . 1 1 21 21 VAL H H 12 8.051 8.051 8.218 -0.167 18220
3180 1 7 . 1 1 22 22 THR N N 13 118.298 118.298 117.124 1.174 18220
3181 1 7 . 1 1 22 22 THR HA H 13 4.660 4.660 3.921 0.739 18220
3182 1 7 . 1 1 22 22 THR C C 13 173.734 173.734 176.288 -2.554 18220
3183 1 7 . 1 1 22 22 THR CA C 13 66.300 66.300 67.859 -1.559 18220
3184 1 7 . 1 1 22 22 THR CB C 13 67.775 67.775 68.734 -0.959 18220
3185 1 7 . 1 1 22 22 THR H H 13 7.944 7.944 8.183 -0.239 18220
3186 1 7 . 1 1 23 23 PHE N N 14 121.328 121.328 120.861 0.467 18220
3187 1 7 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.120 0.220 18220
3188 1 7 . 1 1 23 23 PHE C C 14 174.783 174.783 178.038 -3.255 18220
3189 1 7 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.691 -1.191 18220
3190 1 7 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.504 0.122 18220
3191 1 7 . 1 1 23 23 PHE H H 14 8.567 8.567 8.226 0.341 18220
3192 1 7 . 1 1 24 24 GLY N N 15 106.871 106.871 107.131 -0.260 18220
3193 1 7 . 1 1 24 24 GLY C C 15 172.858 172.858 176.131 -3.273 18220
3194 1 7 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.463 -0.563 18220
3195 1 7 . 1 1 24 24 GLY H H 15 8.475 8.475 8.605 -0.130 18220
3196 1 7 . 1 1 25 25 SER N N 16 116.214 116.214 119.042 -2.828 18220
3197 1 7 . 1 1 25 25 SER HA H 16 4.280 4.280 4.028 0.252 18220
3198 1 7 . 1 1 25 25 SER CA C 16 60.300 60.300 62.160 -1.859 18220
3199 1 7 . 1 1 25 25 SER CB C 16 62.879 62.879 62.949 -0.070 18220
3200 1 7 . 1 1 25 25 SER H H 16 7.963 7.963 8.089 -0.126 18220
3201 1 7 . 1 1 26 26 ILE N N 17 121.024 121.024 122.036 -1.012 18220
3202 1 7 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.806 0.140 18220
3203 1 7 . 1 1 26 26 ILE C C 17 173.935 173.935 178.919 -4.984 18220
3204 1 7 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.013 -1.913 18220
3205 1 7 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.852 0.255 18220
3206 1 7 . 1 1 26 26 ILE H H 17 7.676 7.676 8.103 -0.427 18220
3207 1 7 . 1 1 27 27 PHE N N 18 117.142 117.142 120.145 -3.003 18220
3208 1 7 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.267 0.163 18220
3209 1 7 . 1 1 27 27 PHE C C 18 173.504 173.504 176.813 -3.309 18220
3210 1 7 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.258 -1.758 18220
3211 1 7 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.931 -0.157 18220
3212 1 7 . 1 1 27 27 PHE H H 18 7.703 7.703 8.456 -0.753 18220
3213 1 7 . 1 1 28 28 GLY N N 19 107.303 107.303 105.256 2.047 18220
3214 1 7 . 1 1 28 28 GLY C C 19 171.593 171.593 173.842 -2.249 18220
3215 1 7 . 1 1 28 28 GLY CA C 19 45.600 45.600 46.171 -0.571 18220
3216 1 7 . 1 1 28 28 GLY H H 19 7.722 7.722 7.768 -0.046 18220
3217 1 7 . 1 1 29 29 TYR N N 20 119.862 119.862 118.262 1.600 18220
3218 1 7 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.410 -0.018 18220
3219 1 7 . 1 1 29 29 TYR C C 20 173.174 173.174 173.760 -0.586 18220
3220 1 7 . 1 1 29 29 TYR CA C 20 58.500 58.500 59.319 -0.819 18220
3221 1 7 . 1 1 29 29 TYR CB C 20 38.404 38.404 39.013 -0.609 18220
3222 1 7 . 1 1 29 29 TYR H H 20 7.880 7.880 7.917 -0.037 18220
3223 1 7 . 1 1 30 30 LYS N N 21 122.335 122.335 117.092 5.243 18220
3224 1 7 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.234 0.156 18220
3225 1 7 . 1 1 30 30 LYS C C 21 173.547 173.547 176.138 -2.591 18220
3226 1 7 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.721 -0.921 18220
3227 1 7 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.862 -1.466 18220
3228 1 7 . 1 1 30 30 LYS H H 21 7.934 7.934 8.128 -0.194 18220
3229 1 7 . 1 1 31 31 ARG N N 22 120.612 120.612 118.264 2.348 18220
3230 1 7 . 1 1 31 31 ARG C C 22 173.547 173.547 174.922 -1.375 18220
3231 1 7 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.624 -0.790 18220
3232 1 7 . 1 1 31 31 ARG CB C 22 30.101 30.101 31.887 -1.786 18220
3233 1 7 . 1 1 31 31 ARG H H 22 7.905 7.905 8.066 -0.161 18220
3234 1 7 . 1 1 32 32 ARG N N 23 121.748 121.748 120.351 1.397 18220
3235 1 7 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.617 -0.307 18220
3236 1 7 . 1 1 32 32 ARG C C 23 173.863 173.863 174.192 -0.329 18220
3237 1 7 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.553 -0.753 18220
3238 1 7 . 1 1 32 32 ARG CB C 23 30.245 30.245 31.282 -1.036 18220
3239 1 7 . 1 1 32 32 ARG H H 23 8.175 8.175 8.298 -0.123 18220
3240 1 7 . 1 1 33 33 GLY N N 24 109.528 109.528 112.672 -3.144 18220
3241 1 7 . 1 1 33 33 GLY C C 24 171.752 171.752 173.798 -2.046 18220
3242 1 7 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.558 -0.658 18220
3243 1 7 . 1 1 33 33 GLY H H 24 8.264 8.264 8.551 -0.287 18220
3244 1 7 . 1 1 34 34 GLY N N 25 108.563 108.563 109.067 -0.504 18220
3245 1 7 . 1 1 34 34 GLY C C 25 171.701 171.701 174.270 -2.569 18220
3246 1 7 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.749 -0.149 18220
3247 1 7 . 1 1 34 34 GLY H H 25 8.208 8.208 8.100 0.108 18220
3248 1 7 . 1 1 35 35 VAL N N 26 121.164 121.164 121.613 -0.449 18220
3249 1 7 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.293 -0.283 18220
3250 1 7 . 1 1 35 35 VAL C C 26 175.888 175.888 173.959 1.929 18220
3251 1 7 . 1 1 35 35 VAL CA C 26 63.900 63.900 60.630 3.271 18220
3252 1 7 . 1 1 35 35 VAL CB C 26 30.690 30.690 32.853 -2.163 18220
3253 1 7 . 1 1 35 35 VAL H H 26 8.485 8.485 8.094 0.391 18220
3254 1 7 . 1 1 36 36 PRO C C 27 177.660 177.660 177.770 -0.110 18220
3255 1 7 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.374 -0.527 18220
3256 1 7 . 1 1 37 37 SER N N 28 116.023 116.023 115.341 0.682 18220
3257 1 7 . 1 1 37 37 SER HA H 28 4.280 4.280 4.155 0.125 18220
3258 1 7 . 1 1 37 37 SER CA C 28 61.100 61.100 61.448 -0.348 18220
3259 1 7 . 1 1 37 37 SER H H 28 7.948 7.948 8.425 -0.477 18220
3260 1 7 . 1 1 38 38 LEU N N 29 124.029 124.029 123.161 0.868 18220
3261 1 7 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.071 0.099 18220
3262 1 7 . 1 1 38 38 LEU C C 29 176.132 176.132 178.657 -2.525 18220
3263 1 7 . 1 1 38 38 LEU CA C 29 57.500 57.500 57.793 -0.293 18220
3264 1 7 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.269 0.769 18220
3265 1 7 . 1 1 38 38 LEU H H 29 8.201 8.201 8.053 0.148 18220
3266 1 7 . 1 1 39 39 ILE N N 30 117.098 117.098 118.563 -1.465 18220
3267 1 7 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.787 0.583 18220
3268 1 7 . 1 1 39 39 ILE C C 30 176.478 176.478 178.151 -1.673 18220
3269 1 7 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.388 -1.310 18220
3270 1 7 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.899 0.074 18220
3271 1 7 . 1 1 39 39 ILE H H 30 7.662 7.662 8.094 -0.432 18220
3272 1 7 . 1 1 40 40 ALA N N 31 122.447 122.447 121.950 0.497 18220
3273 1 7 . 1 1 40 40 ALA HA H 31 4.034 4.034 3.992 0.042 18220
3274 1 7 . 1 1 40 40 ALA C C 31 177.067 177.067 180.033 -2.966 18220
3275 1 7 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.382 0.580 18220
3276 1 7 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.690 0.166 18220
3277 1 7 . 1 1 40 40 ALA H H 31 8.096 8.096 7.718 0.378 18220
3278 1 7 . 1 1 41 41 GLY N N 32 104.056 104.056 106.620 -2.564 18220
3279 1 7 . 1 1 41 41 GLY C C 32 174.251 174.251 176.465 -2.214 18220
3280 1 7 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.895 -0.395 18220
3281 1 7 . 1 1 41 41 GLY H H 32 8.123 8.123 8.176 -0.053 18220
3282 1 7 . 1 1 42 42 LEU N N 33 123.250 123.250 123.701 -0.451 18220
3283 1 7 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.262 -0.405 18220
3284 1 7 . 1 1 42 42 LEU C C 33 176.033 176.033 179.202 -3.169 18220
3285 1 7 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.324 -0.656 18220
3286 1 7 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.130 0.591 18220
3287 1 7 . 1 1 42 42 LEU H H 33 7.914 7.914 8.095 -0.181 18220
3288 1 7 . 1 1 43 43 PHE N N 34 119.757 119.757 119.549 0.208 18220
3289 1 7 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.083 0.117 18220
3290 1 7 . 1 1 43 43 PHE C C 34 174.374 174.374 178.180 -3.806 18220
3291 1 7 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.901 -3.025 18220
3292 1 7 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.541 0.293 18220
3293 1 7 . 1 1 43 43 PHE H H 34 8.287 8.287 8.935 -0.648 18220
3294 1 7 . 1 1 44 44 VAL N N 35 117.791 117.791 118.929 -1.138 18220
3295 1 7 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.699 -0.089 18220
3296 1 7 . 1 1 44 44 VAL C C 35 176.205 176.205 178.190 -1.985 18220
3297 1 7 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.313 -1.754 18220
3298 1 7 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.365 0.067 18220
3299 1 7 . 1 1 44 44 VAL H H 35 8.235 8.235 8.389 -0.154 18220
3300 1 7 . 1 1 45 45 GLY N N 36 108.551 108.551 106.856 1.695 18220
3301 1 7 . 1 1 45 45 GLY C C 36 173.749 173.749 176.076 -2.327 18220
3302 1 7 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.504 -1.421 18220
3303 1 7 . 1 1 45 45 GLY H H 36 8.178 8.178 8.327 -0.149 18220
3304 1 7 . 1 1 46 46 CYS N N 37 121.173 121.173 121.959 -0.786 18220
3305 1 7 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.271 -0.091 18220
3306 1 7 . 1 1 46 46 CYS C C 37 173.710 173.710 176.739 -3.029 18220
3307 1 7 . 1 1 46 46 CYS CA C 37 63.000 63.000 61.901 1.099 18220
3308 1 7 . 1 1 46 46 CYS CB C 37 60.283 60.283 26.776 33.507 18220
3309 1 7 . 1 1 46 46 CYS H H 37 8.253 8.253 7.885 0.368 18220
3310 1 7 . 1 1 47 47 LEU N N 38 120.283 120.283 121.320 -1.037 18220
3311 1 7 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.796 0.264 18220
3312 1 7 . 1 1 47 47 LEU C C 38 176.679 176.679 178.764 -2.085 18220
3313 1 7 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.651 -2.624 18220
3314 1 7 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.824 -0.360 18220
3315 1 7 . 1 1 47 47 LEU H H 38 7.965 7.965 8.189 -0.224 18220
3316 1 7 . 1 1 48 48 ALA N N 39 122.249 122.249 120.412 1.837 18220
3317 1 7 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.991 0.151 18220
3318 1 7 . 1 1 48 48 ALA C C 39 177.915 177.915 179.629 -1.714 18220
3319 1 7 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.537 -1.820 18220
3320 1 7 . 1 1 48 48 ALA CB C 39 17.985 17.985 17.969 0.016 18220
3321 1 7 . 1 1 48 48 ALA H H 39 8.066 8.066 8.368 -0.302 18220
3322 1 7 . 1 1 49 49 GLY N N 40 107.377 107.377 107.280 0.097 18220
3323 1 7 . 1 1 49 49 GLY C C 40 172.527 172.527 176.000 -3.473 18220
3324 1 7 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.051 -1.601 18220
3325 1 7 . 1 1 49 49 GLY H H 40 8.172 8.172 8.109 0.063 18220
3326 1 7 . 1 1 50 50 TYR N N 41 122.409 122.409 123.763 -1.354 18220
3327 1 7 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.066 -0.268 18220
3328 1 7 . 1 1 50 50 TYR C C 41 174.208 174.208 178.419 -4.211 18220
3329 1 7 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.682 -2.437 18220
3330 1 7 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.242 -0.306 18220
3331 1 7 . 1 1 50 50 TYR H H 41 7.800 7.800 8.597 -0.797 18220
3332 1 7 . 1 1 51 51 GLY N N 42 106.935 106.935 105.652 1.283 18220
3333 1 7 . 1 1 51 51 GLY C C 42 172.642 172.642 175.708 -3.066 18220
3334 1 7 . 1 1 51 51 GLY CA C 42 46.265 46.265 47.012 -0.747 18220
3335 1 7 . 1 1 51 51 GLY H H 42 8.199 8.199 8.391 -0.192 18220
3336 1 7 . 1 1 52 52 ALA N N 43 123.018 123.018 124.786 -1.768 18220
3337 1 7 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.086 0.064 18220
3338 1 7 . 1 1 52 52 ALA C C 43 176.398 176.398 179.060 -2.662 18220
3339 1 7 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.375 -1.492 18220
3340 1 7 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.526 -0.285 18220
3341 1 7 . 1 1 52 52 ALA H H 43 7.758 7.758 7.986 -0.228 18220
3342 1 7 . 1 1 53 53 TYR N N 44 119.664 119.664 118.424 1.240 18220
3343 1 7 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.319 -0.001 18220
3344 1 7 . 1 1 53 53 TYR C C 44 174.180 174.180 177.484 -3.304 18220
3345 1 7 . 1 1 53 53 TYR CA C 44 58.593 58.593 59.548 -0.955 18220
3346 1 7 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.674 -0.482 18220
3347 1 7 . 1 1 53 53 TYR H H 44 7.920 7.920 8.014 -0.094 18220
3348 1 7 . 1 1 54 54 ARG N N 45 119.516 119.516 119.431 0.085 18220
3349 1 7 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.111 -0.181 18220
3350 1 7 . 1 1 54 54 ARG C C 45 174.423 174.423 176.022 -1.599 18220
3351 1 7 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.935 -0.909 18220
3352 1 7 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.938 -0.765 18220
3353 1 7 . 1 1 54 54 ARG H H 45 7.956 7.956 7.850 0.106 18220
3354 1 7 . 1 1 55 55 VAL N N 46 116.437 116.437 117.887 -1.450 18220
3355 1 7 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.757 0.303 18220
3356 1 7 . 1 1 55 55 VAL C C 46 173.806 173.806 175.217 -1.411 18220
3357 1 7 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.358 -1.058 18220
3358 1 7 . 1 1 55 55 VAL CB C 46 31.521 31.521 30.381 1.141 18220
3359 1 7 . 1 1 55 55 VAL H H 46 7.489 7.489 8.162 -0.673 18220
3360 1 7 . 1 1 56 56 SER N N 47 117.185 117.185 116.448 0.737 18220
3361 1 7 . 1 1 56 56 SER HA H 47 4.401 4.401 4.543 -0.142 18220
3362 1 7 . 1 1 56 56 SER C C 47 172.074 172.074 174.006 -1.932 18220
3363 1 7 . 1 1 56 56 SER CA C 47 58.133 58.133 58.323 -0.190 18220
3364 1 7 . 1 1 56 56 SER CB C 47 63.468 63.468 64.046 -0.578 18220
3365 1 7 . 1 1 56 56 SER H H 47 7.728 7.728 8.825 -1.097 18220
3366 1 7 . 1 1 57 57 ASN N N 48 121.049 121.049 120.015 1.034 18220
3367 1 7 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.779 -0.189 18220
3368 1 7 . 1 1 57 57 ASN CA C 48 53.600 53.600 52.268 1.332 18220
3369 1 7 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.956 -1.315 18220
3370 1 7 . 1 1 57 57 ASN H H 48 8.228 8.228 7.713 0.515 18220
3371 1 7 . 1 1 58 58 ASP N N 49 120.276 120.276 118.752 1.524 18220
3372 1 7 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.602 -0.072 18220
3373 1 7 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.522 -0.320 18220
3374 1 7 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.105 -0.731 18220
3375 1 7 . 1 1 58 58 ASP H H 49 8.192 8.192 8.307 -0.115 18220
3376 1 7 . 1 1 59 59 LYS N N 50 120.660 120.660 121.827 -1.167 18220
3377 1 7 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.123 0.077 18220
3378 1 7 . 1 1 59 59 LYS C C 50 173.474 173.474 176.134 -2.660 18220
3379 1 7 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.927 -0.627 18220
3380 1 7 . 1 1 59 59 LYS CB C 50 32.034 32.034 32.261 -0.227 18220
3381 1 7 . 1 1 59 59 LYS H H 50 8.003 8.003 7.793 0.210 18220
3382 1 7 . 1 1 60 60 ARG N N 51 121.278 121.278 123.072 -1.794 18220
3383 1 7 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.397 -0.197 18220
3384 1 7 . 1 1 60 60 ARG C C 51 173.303 173.303 174.244 -0.941 18220
3385 1 7 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.527 -0.244 18220
3386 1 7 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.235 -0.997 18220
3387 1 7 . 1 1 60 60 ARG H H 51 8.091 8.091 8.351 -0.260 18220
3388 1 7 . 1 1 61 61 ASP N N 52 121.185 121.185 121.927 -0.742 18220
3389 1 7 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.600 0.015 18220
3390 1 7 . 1 1 61 61 ASP C C 52 173.777 173.777 175.032 -1.255 18220
3391 1 7 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.492 -0.513 18220
3392 1 7 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.121 -0.876 18220
3393 1 7 . 1 1 61 61 ASP H H 52 8.261 8.261 8.238 0.023 18220
3394 1 7 . 1 1 62 62 VAL N N 53 121.902 121.902 118.447 3.455 18220
3395 1 7 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.645 0.305 18220
3396 1 7 . 1 1 62 62 VAL C C 53 173.279 173.279 175.667 -2.388 18220
3397 1 7 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.185 -0.009 18220
3398 1 7 . 1 1 62 62 VAL CB C 53 32.099 32.099 30.930 1.169 18220
3399 1 7 . 1 1 62 62 VAL H H 53 7.997 7.997 8.092 -0.095 18220
3400 1 7 . 1 1 63 63 LYS N N 54 123.522 123.522 120.615 2.907 18220
3401 1 7 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.229 0.031 18220
3402 1 7 . 1 1 63 63 LYS C C 54 174.481 174.481 177.842 -3.361 18220
3403 1 7 . 1 1 63 63 LYS CA C 54 56.347 56.347 58.613 -2.266 18220
3404 1 7 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.763 -0.664 18220
3405 1 7 . 1 1 63 63 LYS H H 54 8.054 8.054 8.147 -0.093 18220
3406 1 7 . 1 1 64 64 VAL N N 55 120.647 120.647 121.194 -0.547 18220
3407 1 7 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.672 0.275 18220
3408 1 7 . 1 1 64 64 VAL C C 55 174.955 174.955 178.176 -3.221 18220
3409 1 7 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.042 -1.442 18220
3410 1 7 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.826 1.050 18220
3411 1 7 . 1 1 64 64 VAL H H 55 8.225 8.225 8.195 0.030 18220
3412 1 7 . 1 1 65 65 SER N N 56 117.785 117.785 114.377 3.408 18220
3413 1 7 . 1 1 65 65 SER HA H 56 4.390 4.390 4.233 0.157 18220
3414 1 7 . 1 1 65 65 SER C C 56 172.300 172.300 177.421 -5.121 18220
3415 1 7 . 1 1 65 65 SER CA C 56 60.000 60.000 62.322 -2.322 18220
3416 1 7 . 1 1 65 65 SER CB C 56 62.879 62.879 62.713 0.166 18220
3417 1 7 . 1 1 65 65 SER H H 56 8.260 8.260 8.388 -0.128 18220
3418 1 7 . 1 1 66 66 LEU N N 57 123.318 123.318 121.858 1.460 18220
3419 1 7 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.136 -0.046 18220
3420 1 7 . 1 1 66 66 LEU C C 57 175.932 175.932 178.757 -2.825 18220
3421 1 7 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.975 -0.473 18220
3422 1 7 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.935 -0.214 18220
3423 1 7 . 1 1 66 66 LEU H H 57 8.091 8.091 7.984 0.107 18220
3424 1 7 . 1 1 67 67 PHE N N 58 118.020 118.020 118.704 -0.684 18220
3425 1 7 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.331 -0.001 18220
3426 1 7 . 1 1 67 67 PHE C C 58 174.912 174.912 177.443 -2.531 18220
3427 1 7 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.838 -1.238 18220
3428 1 7 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.936 -0.384 18220
3429 1 7 . 1 1 67 67 PHE H H 58 8.066 8.066 7.769 0.297 18220
3430 1 7 . 1 1 68 68 THR N N 59 115.324 115.324 115.183 0.141 18220
3431 1 7 . 1 1 68 68 THR HA H 59 4.310 4.310 4.204 0.106 18220
3432 1 7 . 1 1 68 68 THR C C 59 173.380 173.380 176.728 -3.348 18220
3433 1 7 . 1 1 68 68 THR CA C 59 66.313 66.313 65.603 0.710 18220
3434 1 7 . 1 1 68 68 THR CB C 59 67.700 67.700 68.293 -0.593 18220
3435 1 7 . 1 1 68 68 THR H H 59 8.287 8.287 8.408 -0.121 18220
3436 1 7 . 1 1 69 69 ALA N N 60 123.621 123.621 124.624 -1.003 18220
3437 1 7 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.200 0.080 18220
3438 1 7 . 1 1 69 69 ALA C C 60 176.978 176.978 179.387 -2.409 18220
3439 1 7 . 1 1 69 69 ALA CA C 60 55.100 55.100 54.952 0.148 18220
3440 1 7 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.012 -0.284 18220
3441 1 7 . 1 1 69 69 ALA H H 60 7.983 7.983 8.460 -0.477 18220
3442 1 7 . 1 1 70 70 PHE N N 61 118.520 118.520 120.458 -1.938 18220
3443 1 7 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.127 0.133 18220
3444 1 7 . 1 1 70 70 PHE C C 61 175.369 175.369 176.716 -1.347 18220
3445 1 7 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.379 -1.200 18220
3446 1 7 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.287 -0.581 18220
3447 1 7 . 1 1 70 70 PHE H H 61 8.007 8.007 8.363 -0.356 18220
3448 1 7 . 1 1 71 71 PHE N N 62 122.314 122.314 119.647 2.667 18220
3449 1 7 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.267 -0.267 18220
3450 1 7 . 1 1 71 71 PHE C C 62 174.697 174.697 177.722 -3.025 18220
3451 1 7 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.333 -0.816 18220
3452 1 7 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.019 -0.249 18220
3453 1 7 . 1 1 71 71 PHE H H 62 8.546 8.546 8.428 0.118 18220
3454 1 7 . 1 1 72 72 LEU N N 63 119.399 119.399 120.515 -1.116 18220
3455 1 7 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.926 -0.056 18220
3456 1 7 . 1 1 72 72 LEU C C 63 175.774 175.774 178.234 -2.460 18220
3457 1 7 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.316 -1.391 18220
3458 1 7 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.806 -0.599 18220
3459 1 7 . 1 1 72 72 LEU H H 63 8.396 8.396 8.554 -0.158 18220
3460 1 7 . 1 1 73 73 ALA N N 64 120.221 120.221 121.231 -1.010 18220
3461 1 7 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.812 0.148 18220
3462 1 7 . 1 1 73 73 ALA C C 64 177.267 177.267 179.422 -2.155 18220
3463 1 7 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.240 -0.641 18220
3464 1 7 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.919 -0.135 18220
3465 1 7 . 1 1 73 73 ALA H H 64 8.025 8.025 8.155 -0.130 18220
3466 1 7 . 1 1 74 74 THR N N 65 113.648 113.648 113.913 -0.265 18220
3467 1 7 . 1 1 74 74 THR HA H 65 3.980 3.980 3.896 0.084 18220
3468 1 7 . 1 1 74 74 THR CA C 65 66.291 66.291 65.961 0.330 18220
3469 1 7 . 1 1 74 74 THR CB C 65 67.914 67.914 68.551 -0.637 18220
3470 1 7 . 1 1 74 74 THR H H 65 7.717 7.717 7.883 -0.166 18220
3471 1 7 . 1 1 75 75 ILE N N 66 120.291 120.291 119.917 0.374 18220
3472 1 7 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.918 -0.178 18220
3473 1 7 . 1 1 75 75 ILE C C 66 174.951 174.951 177.446 -2.495 18220
3474 1 7 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.408 1.472 18220
3475 1 7 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.997 -0.831 18220
3476 1 7 . 1 1 75 75 ILE H H 66 7.738 7.738 7.809 -0.071 18220
3477 1 7 . 1 1 76 76 MET N N 67 117.618 117.618 114.499 3.119 18220
3478 1 7 . 1 1 76 76 MET HA H 67 4.220 4.220 4.646 -0.426 18220
3479 1 7 . 1 1 76 76 MET C C 67 175.142 175.142 176.662 -1.520 18220
3480 1 7 . 1 1 76 76 MET CA C 67 56.723 56.723 56.620 0.103 18220
3481 1 7 . 1 1 76 76 MET CB C 67 31.951 31.951 34.119 -2.168 18220
3482 1 7 . 1 1 76 76 MET H H 67 7.823 7.823 8.072 -0.249 18220
3483 1 7 . 1 1 77 77 GLY N N 68 107.110 107.110 107.036 0.074 18220
3484 1 7 . 1 1 77 77 GLY C C 68 172.260 172.260 172.354 -0.094 18220
3485 1 7 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.429 0.371 18220
3486 1 7 . 1 1 77 77 GLY H H 68 7.937 7.937 8.294 -0.357 18220
3487 1 7 . 1 1 78 78 VAL N N 69 120.431 120.431 119.899 0.532 18220
3488 1 7 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.931 0.289 18220
3489 1 7 . 1 1 78 78 VAL CA C 69 63.900 63.900 62.250 1.650 18220
3490 1 7 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.348 0.158 18220
3491 1 7 . 1 1 78 78 VAL H H 69 7.697 7.697 7.689 0.008 18220
3492 1 7 . 1 1 79 79 ARG N N 70 121.420 121.420 121.053 0.367 18220
3493 1 7 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.009 -0.199 18220
3494 1 7 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.729 -0.329 18220
3495 1 7 . 1 1 79 79 ARG CB C 70 30.097 30.097 29.705 0.392 18220
3496 1 7 . 1 1 79 79 ARG H H 70 7.889 7.889 8.106 -0.217 18220
3497 1 7 . 1 1 80 80 PHE N N 71 119.949 119.949 122.547 -2.598 18220
3498 1 7 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.363 0.147 18220
3499 1 7 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.580 0.020 18220
3500 1 7 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.318 -0.173 18220
3501 1 7 . 1 1 80 80 PHE H H 71 8.101 8.101 8.254 -0.153 18220
3502 1 7 . 1 1 81 81 LYS N N 72 122.193 122.193 118.972 3.221 18220
3503 1 7 . 1 1 81 81 LYS CA C 72 56.800 56.800 57.212 -0.412 18220
3504 1 7 . 1 1 81 81 LYS CB C 72 32.322 32.322 31.476 0.846 18220
3505 1 7 . 1 1 81 81 LYS H H 72 8.090 8.090 8.547 -0.457 18220
3506 1 7 . 1 1 82 82 ARG N N 73 119.650 119.650 120.009 -0.359 18220
3507 1 7 . 1 1 82 82 ARG CA C 73 56.089 56.089 55.769 0.320 18220
3508 1 7 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.869 -0.698 18220
3509 1 7 . 1 1 82 82 ARG H H 73 8.052 8.052 8.316 -0.264 18220
3510 1 7 . 1 1 83 83 SER N N 74 115.734 115.734 117.375 -1.641 18220
3511 1 7 . 1 1 83 83 SER CA C 74 58.355 58.355 57.758 0.598 18220
3512 1 7 . 1 1 83 83 SER CB C 74 63.404 63.404 64.863 -1.459 18220
3513 1 7 . 1 1 83 83 SER H H 74 7.912 7.912 7.789 0.123 18220
3514 1 7 . 1 1 84 84 LYS N N 75 122.370 122.370 119.077 3.293 18220
3515 1 7 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.126 0.009 18220
3516 1 7 . 1 1 84 84 LYS CB C 75 32.175 32.175 34.088 -1.913 18220
3517 1 7 . 1 1 84 84 LYS H H 75 8.067 8.067 8.325 -0.258 18220
3518 1 7 . 1 1 86 86 ILE N N 77 119.592 119.592 120.659 -1.067 18220
3519 1 7 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.203 -0.393 18220
3520 1 7 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.111 2.789 18220
3521 1 7 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.325 0.820 18220
3522 1 7 . 1 1 86 86 ILE H H 77 7.837 7.837 7.806 0.031 18220
3523 1 7 . 1 1 87 87 MET N N 78 121.645 121.645 120.689 0.956 18220
3524 1 7 . 1 1 87 87 MET CA C 78 52.982 52.982 56.772 -3.790 18220
3525 1 7 . 1 1 87 87 MET CB C 78 32.173 32.173 31.119 1.054 18220
3526 1 7 . 1 1 87 87 MET H H 78 7.950 7.950 8.113 -0.163 18220
3527 1 7 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.551 -0.411 18220
3528 1 7 . 1 1 88 88 PRO C C 79 173.921 173.921 178.101 -4.180 18220
3529 1 7 . 1 1 88 88 PRO CA C 79 62.800 62.800 65.428 -2.628 18220
3530 1 7 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.765 -0.629 18220
3531 1 7 . 1 1 89 89 ALA N N 80 124.431 124.431 121.636 2.795 18220
3532 1 7 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.159 0.241 18220
3533 1 7 . 1 1 89 89 ALA C C 80 176.234 176.234 179.884 -3.650 18220
3534 1 7 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.784 -1.484 18220
3535 1 7 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.202 0.296 18220
3536 1 7 . 1 1 89 89 ALA H H 80 8.320 8.320 8.405 -0.085 18220
3537 1 7 . 1 1 90 90 GLY N N 81 106.834 106.834 107.109 -0.275 18220
3538 1 7 . 1 1 90 90 GLY C C 81 172.398 172.398 176.432 -4.034 18220
3539 1 7 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.030 -1.430 18220
3540 1 7 . 1 1 90 90 GLY H H 81 8.458 8.458 8.625 -0.167 18220
3541 1 7 . 1 1 91 91 LEU N N 82 121.043 121.043 121.946 -0.903 18220
3542 1 7 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.946 0.254 18220
3543 1 7 . 1 1 91 91 LEU C C 82 174.783 174.783 178.784 -4.001 18220
3544 1 7 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.485 -1.185 18220
3545 1 7 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.928 0.178 18220
3546 1 7 . 1 1 91 91 LEU H H 82 7.687 7.687 7.469 0.218 18220
3547 1 7 . 1 1 92 92 VAL N N 83 114.737 114.737 118.522 -3.785 18220
3548 1 7 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.568 0.412 18220
3549 1 7 . 1 1 92 92 VAL C C 83 173.634 173.634 177.832 -4.198 18220
3550 1 7 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.134 -3.734 18220
3551 1 7 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.200 0.385 18220
3552 1 7 . 1 1 92 92 VAL H H 83 7.602 7.602 7.857 -0.255 18220
3553 1 7 . 1 1 93 93 ALA N N 84 124.320 124.320 121.535 2.785 18220
3554 1 7 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.171 -0.021 18220
3555 1 7 . 1 1 93 93 ALA C C 84 175.746 175.746 179.746 -4.000 18220
3556 1 7 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.159 -1.859 18220
3557 1 7 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.072 0.169 18220
3558 1 7 . 1 1 93 93 ALA H H 84 7.891 7.891 8.235 -0.344 18220
3559 1 7 . 1 1 94 94 GLY N N 85 106.807 106.807 108.180 -1.373 18220
3560 1 7 . 1 1 94 94 GLY C C 85 171.752 171.752 176.091 -4.339 18220
3561 1 7 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.847 -1.598 18220
3562 1 7 . 1 1 94 94 GLY H H 85 8.204 8.204 8.107 0.097 18220
3563 1 7 . 1 1 95 95 LEU N N 86 121.266 121.266 122.082 -0.816 18220
3564 1 7 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.921 0.459 18220
3565 1 7 . 1 1 95 95 LEU C C 86 173.702 173.702 179.242 -5.540 18220
3566 1 7 . 1 1 95 95 LEU CA C 86 55.000 55.000 58.408 -3.409 18220
3567 1 7 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.622 0.676 18220
3568 1 7 . 1 1 95 95 LEU H H 86 7.718 7.718 8.524 -0.806 18220
3569 1 7 . 1 1 96 96 SER N N 87 115.658 115.658 115.487 0.171 18220
3570 1 7 . 1 1 96 96 SER HA H 87 4.370 4.370 4.152 0.218 18220
3571 1 7 . 1 1 96 96 SER C C 87 172.479 172.479 176.677 -4.198 18220
3572 1 7 . 1 1 96 96 SER CA C 87 57.200 57.200 62.021 -4.821 18220
3573 1 7 . 1 1 96 96 SER CB C 87 64.174 64.174 63.227 0.947 18220
3574 1 7 . 1 1 96 96 SER H H 87 7.659 7.659 8.107 -0.448 18220
3575 1 7 . 1 1 97 97 LEU N N 88 123.720 123.720 122.917 0.803 18220
3576 1 7 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.006 0.594 18220
3577 1 7 . 1 1 97 97 LEU C C 88 175.932 175.932 178.939 -3.007 18220
3578 1 7 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.025 -0.425 18220
3579 1 7 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.334 0.066 18220
3580 1 7 . 1 1 97 97 LEU H H 88 8.733 8.733 8.090 0.643 18220
3581 1 7 . 1 1 98 98 MET N N 89 116.684 116.684 117.666 -0.982 18220
3582 1 7 . 1 1 98 98 MET HA H 89 4.280 4.280 3.965 0.315 18220
3583 1 7 . 1 1 98 98 MET C C 89 175.789 175.789 178.706 -2.917 18220
3584 1 7 . 1 1 98 98 MET CA C 89 56.915 56.915 59.530 -2.615 18220
3585 1 7 . 1 1 98 98 MET CB C 89 31.007 31.007 32.483 -1.476 18220
3586 1 7 . 1 1 98 98 MET H H 89 8.342 8.342 8.072 0.270 18220
3587 1 7 . 1 1 99 99 MET N N 90 119.182 119.182 120.320 -1.138 18220
3588 1 7 . 1 1 99 99 MET HA H 90 4.110 4.110 4.028 0.082 18220
3589 1 7 . 1 1 99 99 MET C C 90 175.588 175.588 178.567 -2.979 18220
3590 1 7 . 1 1 99 99 MET CA C 90 57.951 57.951 59.309 -1.358 18220
3591 1 7 . 1 1 99 99 MET CB C 90 32.226 32.226 32.620 -0.394 18220
3592 1 7 . 1 1 99 99 MET H H 90 7.720 7.720 8.104 -0.384 18220
3593 1 7 . 1 1 100 100 ILE N N 91 119.077 119.077 119.529 -0.452 18220
3594 1 7 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.685 0.425 18220
3595 1 7 . 1 1 100 100 ILE C C 91 174.634 174.634 178.337 -3.703 18220
3596 1 7 . 1 1 100 100 ILE CA C 91 64.100 64.100 63.960 0.140 18220
3597 1 7 . 1 1 100 100 ILE CB C 91 37.143 37.143 36.467 0.676 18220
3598 1 7 . 1 1 100 100 ILE H H 91 7.662 7.662 8.170 -0.508 18220
3599 1 7 . 1 1 101 101 LEU N N 92 119.646 119.646 119.439 0.207 18220
3600 1 7 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.905 0.625 18220
3601 1 7 . 1 1 101 101 LEU C C 92 175.430 175.430 179.314 -3.884 18220
3602 1 7 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.464 -0.664 18220
3603 1 7 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.816 -1.058 18220
3604 1 7 . 1 1 101 101 LEU H H 92 8.142 8.142 8.226 -0.084 18220
3605 1 7 . 1 1 102 102 ARG N N 93 116.394 116.394 118.888 -2.494 18220
3606 1 7 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.083 0.057 18220
3607 1 7 . 1 1 102 102 ARG C C 93 175.961 175.961 178.591 -2.630 18220
3608 1 7 . 1 1 102 102 ARG CA C 93 59.100 59.100 59.068 0.032 18220
3609 1 7 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.031 -0.627 18220
3610 1 7 . 1 1 102 102 ARG H H 93 7.893 7.893 7.920 -0.027 18220
3611 1 7 . 1 1 103 103 LEU N N 94 119.114 119.114 121.403 -2.289 18220
3612 1 7 . 1 1 103 103 LEU HA H 94 4.110 4.110 3.965 0.145 18220
3613 1 7 . 1 1 103 103 LEU C C 94 175.889 175.889 178.752 -2.863 18220
3614 1 7 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.614 -1.314 18220
3615 1 7 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.811 -0.515 18220
3616 1 7 . 1 1 103 103 LEU H H 94 7.622 7.622 8.063 -0.441 18220
3617 1 7 . 1 1 104 104 VAL N N 95 117.704 117.704 118.621 -0.917 18220
3618 1 7 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.541 -0.011 18220
3619 1 7 . 1 1 104 104 VAL C C 95 175.042 175.042 178.169 -3.127 18220
3620 1 7 . 1 1 104 104 VAL CA C 95 66.419 66.419 66.833 -0.414 18220
3621 1 7 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.478 -0.121 18220
3622 1 7 . 1 1 104 104 VAL H H 95 8.026 8.026 7.576 0.450 18220
3623 1 7 . 1 1 105 105 LEU N N 96 117.185 117.185 119.574 -2.389 18220
3624 1 7 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.915 0.065 18220
3625 1 7 . 1 1 105 105 LEU C C 96 176.579 176.579 178.614 -2.035 18220
3626 1 7 . 1 1 105 105 LEU CA C 96 56.800 56.800 58.195 -1.395 18220
3627 1 7 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.969 -1.018 18220
3628 1 7 . 1 1 105 105 LEU H H 96 7.893 7.893 7.380 0.513 18220
3629 1 7 . 1 1 106 106 LEU N N 97 118.471 118.471 119.708 -1.237 18220
3630 1 7 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.894 0.286 18220
3631 1 7 . 1 1 106 106 LEU C C 97 175.802 175.802 178.511 -2.709 18220
3632 1 7 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.878 -1.578 18220
3633 1 7 . 1 1 106 106 LEU CB C 97 41.592 41.592 42.014 -0.422 18220
3634 1 7 . 1 1 106 106 LEU H H 97 7.545 7.545 8.304 -0.759 18220
3635 1 7 . 1 1 107 107 LEU N N 98 118.162 118.162 118.824 -0.662 18220
3636 1 7 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.164 0.066 18220
3637 1 7 . 1 1 107 107 LEU C C 98 174.174 174.174 177.850 -3.676 18220
3638 1 7 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.109 0.174 18220
3639 1 7 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.221 0.141 18220
3640 1 7 . 1 1 107 107 LEU H H 98 7.688 7.688 8.025 -0.337 18220
3641 1 8 . 1 1 11 11 ASP N N 2 120.536 120.536 122.053 -1.517 18220
3642 1 8 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.444 1.474 18220
3643 1 8 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.478 -3.519 18220
3644 1 8 . 1 1 11 11 ASP H H 2 7.863 7.863 8.247 -0.384 18220
3645 1 8 . 1 1 12 12 LEU N N 3 121.414 121.414 122.682 -1.268 18220
3646 1 8 . 1 1 12 12 LEU C C 3 176.162 176.162 176.139 0.023 18220
3647 1 8 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.373 2.227 18220
3648 1 8 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.835 -1.178 18220
3649 1 8 . 1 1 12 12 LEU H H 3 8.285 8.285 8.031 0.254 18220
3650 1 8 . 1 1 13 13 ILE N N 4 118.854 118.854 118.194 0.660 18220
3651 1 8 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.210 -0.470 18220
3652 1 8 . 1 1 13 13 ILE C C 4 175.228 175.228 174.700 0.528 18220
3653 1 8 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.358 3.142 18220
3654 1 8 . 1 1 13 13 ILE CB C 4 37.102 37.102 39.141 -2.039 18220
3655 1 8 . 1 1 13 13 ILE H H 4 8.031 8.031 7.698 0.333 18220
3656 1 8 . 1 1 14 14 GLY N N 5 107.478 107.478 107.935 -0.457 18220
3657 1 8 . 1 1 14 14 GLY C C 5 174.424 174.424 173.505 0.919 18220
3658 1 8 . 1 1 14 14 GLY CA C 5 47.059 47.059 44.972 2.087 18220
3659 1 8 . 1 1 14 14 GLY H H 5 8.148 8.148 7.759 0.389 18220
3660 1 8 . 1 1 15 15 PHE N N 6 122.774 122.774 121.271 1.503 18220
3661 1 8 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.574 -0.094 18220
3662 1 8 . 1 1 15 15 PHE C C 6 175.113 175.113 177.258 -2.145 18220
3663 1 8 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.598 0.419 18220
3664 1 8 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.734 -0.960 18220
3665 1 8 . 1 1 15 15 PHE H H 6 8.194 8.194 8.770 -0.576 18220
3666 1 8 . 1 1 16 16 GLY N N 7 107.938 107.938 108.144 -0.206 18220
3667 1 8 . 1 1 16 16 GLY C C 7 171.838 171.838 175.901 -4.063 18220
3668 1 8 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.621 -0.521 18220
3669 1 8 . 1 1 16 16 GLY H H 7 8.697 8.697 8.568 0.129 18220
3670 1 8 . 1 1 17 17 TYR N N 8 121.785 121.785 122.319 -0.534 18220
3671 1 8 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.135 0.015 18220
3672 1 8 . 1 1 17 17 TYR C C 8 174.180 174.180 178.046 -3.866 18220
3673 1 8 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.122 0.178 18220
3674 1 8 . 1 1 17 17 TYR CB C 8 37.959 37.959 37.978 -0.019 18220
3675 1 8 . 1 1 17 17 TYR H H 8 8.710 8.710 8.298 0.412 18220
3676 1 8 . 1 1 18 18 ALA N N 9 120.233 120.233 120.486 -0.253 18220
3677 1 8 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.926 0.024 18220
3678 1 8 . 1 1 18 18 ALA C C 9 178.059 178.059 179.014 -0.955 18220
3679 1 8 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.098 -0.226 18220
3680 1 8 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.721 -0.159 18220
3681 1 8 . 1 1 18 18 ALA H H 9 7.843 7.843 8.264 -0.421 18220
3682 1 8 . 1 1 19 19 ALA N N 10 121.797 121.797 121.409 0.388 18220
3683 1 8 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.223 -0.273 18220
3684 1 8 . 1 1 19 19 ALA C C 10 176.191 176.191 179.636 -3.445 18220
3685 1 8 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.567 0.033 18220
3686 1 8 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.267 -0.705 18220
3687 1 8 . 1 1 19 19 ALA H H 10 8.212 8.212 7.825 0.387 18220
3688 1 8 . 1 1 20 20 LEU N N 11 119.442 119.442 120.686 -1.244 18220
3689 1 8 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.012 -0.075 18220
3690 1 8 . 1 1 20 20 LEU C C 11 176.694 176.694 178.862 -2.168 18220
3691 1 8 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.467 -0.667 18220
3692 1 8 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.095 -0.873 18220
3693 1 8 . 1 1 20 20 LEU H H 11 8.065 8.065 7.956 0.109 18220
3694 1 8 . 1 1 21 21 VAL N N 12 118.323 118.323 118.598 -0.275 18220
3695 1 8 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.531 0.109 18220
3696 1 8 . 1 1 21 21 VAL C C 12 176.536 176.536 177.997 -1.461 18220
3697 1 8 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.584 -2.183 18220
3698 1 8 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.480 -0.344 18220
3699 1 8 . 1 1 21 21 VAL H H 12 8.051 8.051 8.344 -0.293 18220
3700 1 8 . 1 1 22 22 THR N N 13 118.298 118.298 117.152 1.146 18220
3701 1 8 . 1 1 22 22 THR HA H 13 4.660 4.660 3.914 0.746 18220
3702 1 8 . 1 1 22 22 THR C C 13 173.734 173.734 176.311 -2.577 18220
3703 1 8 . 1 1 22 22 THR CA C 13 66.300 66.300 67.518 -1.218 18220
3704 1 8 . 1 1 22 22 THR CB C 13 67.775 67.775 68.849 -1.074 18220
3705 1 8 . 1 1 22 22 THR H H 13 7.944 7.944 8.047 -0.103 18220
3706 1 8 . 1 1 23 23 PHE N N 14 121.328 121.328 121.698 -0.370 18220
3707 1 8 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.032 0.308 18220
3708 1 8 . 1 1 23 23 PHE C C 14 174.783 174.783 177.730 -2.947 18220
3709 1 8 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.339 -0.839 18220
3710 1 8 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.618 0.007 18220
3711 1 8 . 1 1 23 23 PHE H H 14 8.567 8.567 8.404 0.163 18220
3712 1 8 . 1 1 24 24 GLY N N 15 106.871 106.871 106.279 0.592 18220
3713 1 8 . 1 1 24 24 GLY C C 15 172.858 172.858 176.015 -3.157 18220
3714 1 8 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.339 -0.439 18220
3715 1 8 . 1 1 24 24 GLY H H 15 8.475 8.475 8.434 0.041 18220
3716 1 8 . 1 1 25 25 SER N N 16 116.214 116.214 118.964 -2.750 18220
3717 1 8 . 1 1 25 25 SER HA H 16 4.280 4.280 4.046 0.234 18220
3718 1 8 . 1 1 25 25 SER CA C 16 60.300 60.300 62.084 -1.784 18220
3719 1 8 . 1 1 25 25 SER CB C 16 62.879 62.879 62.990 -0.111 18220
3720 1 8 . 1 1 25 25 SER H H 16 7.963 7.963 8.079 -0.116 18220
3721 1 8 . 1 1 26 26 ILE N N 17 121.024 121.024 121.621 -0.597 18220
3722 1 8 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.801 0.145 18220
3723 1 8 . 1 1 26 26 ILE C C 17 173.935 173.935 178.377 -4.442 18220
3724 1 8 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.087 -1.987 18220
3725 1 8 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.957 0.150 18220
3726 1 8 . 1 1 26 26 ILE H H 17 7.676 7.676 8.455 -0.779 18220
3727 1 8 . 1 1 27 27 PHE N N 18 117.142 117.142 118.214 -1.072 18220
3728 1 8 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.123 0.307 18220
3729 1 8 . 1 1 27 27 PHE C C 18 173.504 173.504 177.303 -3.799 18220
3730 1 8 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.377 -1.877 18220
3731 1 8 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.432 0.341 18220
3732 1 8 . 1 1 27 27 PHE H H 18 7.703 7.703 8.376 -0.673 18220
3733 1 8 . 1 1 28 28 GLY N N 19 107.303 107.303 105.309 1.994 18220
3734 1 8 . 1 1 28 28 GLY C C 19 171.593 171.593 174.321 -2.728 18220
3735 1 8 . 1 1 28 28 GLY CA C 19 45.600 45.600 46.473 -0.873 18220
3736 1 8 . 1 1 28 28 GLY H H 19 7.722 7.722 7.721 0.001 18220
3737 1 8 . 1 1 29 29 TYR N N 20 119.862 119.862 117.734 2.128 18220
3738 1 8 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.425 -0.033 18220
3739 1 8 . 1 1 29 29 TYR C C 20 173.174 173.174 174.247 -1.073 18220
3740 1 8 . 1 1 29 29 TYR CA C 20 58.500 58.500 59.268 -0.768 18220
3741 1 8 . 1 1 29 29 TYR CB C 20 38.404 38.404 40.630 -2.226 18220
3742 1 8 . 1 1 29 29 TYR H H 20 7.880 7.880 8.064 -0.184 18220
3743 1 8 . 1 1 30 30 LYS N N 21 122.335 122.335 119.219 3.116 18220
3744 1 8 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.541 -0.151 18220
3745 1 8 . 1 1 30 30 LYS C C 21 173.547 173.547 174.436 -0.889 18220
3746 1 8 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.512 -0.712 18220
3747 1 8 . 1 1 30 30 LYS CB C 21 32.396 32.396 34.434 -2.038 18220
3748 1 8 . 1 1 30 30 LYS H H 21 7.934 7.934 8.081 -0.147 18220
3749 1 8 . 1 1 31 31 ARG N N 22 120.612 120.612 121.264 -0.652 18220
3750 1 8 . 1 1 31 31 ARG C C 22 173.547 173.547 174.735 -1.188 18220
3751 1 8 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.641 -0.807 18220
3752 1 8 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.048 0.053 18220
3753 1 8 . 1 1 31 31 ARG H H 22 7.905 7.905 8.740 -0.835 18220
3754 1 8 . 1 1 32 32 ARG N N 23 121.748 121.748 120.539 1.209 18220
3755 1 8 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.445 -0.135 18220
3756 1 8 . 1 1 32 32 ARG C C 23 173.863 173.863 175.587 -1.724 18220
3757 1 8 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.102 -0.302 18220
3758 1 8 . 1 1 32 32 ARG CB C 23 30.245 30.245 31.352 -1.107 18220
3759 1 8 . 1 1 32 32 ARG H H 23 8.175 8.175 8.169 0.006 18220
3760 1 8 . 1 1 33 33 GLY N N 24 109.528 109.528 109.713 -0.185 18220
3761 1 8 . 1 1 33 33 GLY C C 24 171.752 171.752 174.049 -2.297 18220
3762 1 8 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.990 -0.090 18220
3763 1 8 . 1 1 33 33 GLY H H 24 8.264 8.264 8.132 0.132 18220
3764 1 8 . 1 1 34 34 GLY N N 25 108.563 108.563 110.147 -1.584 18220
3765 1 8 . 1 1 34 34 GLY C C 25 171.701 171.701 174.932 -3.231 18220
3766 1 8 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.754 -1.154 18220
3767 1 8 . 1 1 34 34 GLY H H 25 8.208 8.208 8.874 -0.666 18220
3768 1 8 . 1 1 35 35 VAL N N 26 121.164 121.164 123.250 -2.086 18220
3769 1 8 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.470 -0.460 18220
3770 1 8 . 1 1 35 35 VAL C C 26 175.888 175.888 173.827 2.061 18220
3771 1 8 . 1 1 35 35 VAL CA C 26 63.900 63.900 59.056 4.843 18220
3772 1 8 . 1 1 35 35 VAL CB C 26 30.690 30.690 34.159 -3.469 18220
3773 1 8 . 1 1 35 35 VAL H H 26 8.485 8.485 7.882 0.603 18220
3774 1 8 . 1 1 36 36 PRO C C 27 177.660 177.660 175.643 2.017 18220
3775 1 8 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.067 -1.220 18220
3776 1 8 . 1 1 37 37 SER N N 28 116.023 116.023 118.293 -2.270 18220
3777 1 8 . 1 1 37 37 SER HA H 28 4.280 4.280 4.326 -0.046 18220
3778 1 8 . 1 1 37 37 SER CA C 28 61.100 61.100 58.311 2.789 18220
3779 1 8 . 1 1 37 37 SER H H 28 7.948 7.948 8.114 -0.166 18220
3780 1 8 . 1 1 38 38 LEU N N 29 124.029 124.029 122.903 1.126 18220
3781 1 8 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.995 0.175 18220
3782 1 8 . 1 1 38 38 LEU C C 29 176.132 176.132 178.506 -2.374 18220
3783 1 8 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.056 -0.555 18220
3784 1 8 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.310 0.728 18220
3785 1 8 . 1 1 38 38 LEU H H 29 8.201 8.201 8.154 0.047 18220
3786 1 8 . 1 1 39 39 ILE N N 30 117.098 117.098 119.031 -1.933 18220
3787 1 8 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.709 0.661 18220
3788 1 8 . 1 1 39 39 ILE C C 30 176.478 176.478 178.143 -1.665 18220
3789 1 8 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.993 -0.914 18220
3790 1 8 . 1 1 39 39 ILE CB C 30 36.973 36.973 35.971 1.002 18220
3791 1 8 . 1 1 39 39 ILE H H 30 7.662 7.662 7.969 -0.307 18220
3792 1 8 . 1 1 40 40 ALA N N 31 122.447 122.447 121.538 0.909 18220
3793 1 8 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.017 0.017 18220
3794 1 8 . 1 1 40 40 ALA C C 31 177.067 177.067 179.740 -2.673 18220
3795 1 8 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.358 0.604 18220
3796 1 8 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.820 0.036 18220
3797 1 8 . 1 1 40 40 ALA H H 31 8.096 8.096 7.970 0.126 18220
3798 1 8 . 1 1 41 41 GLY N N 32 104.056 104.056 106.768 -2.712 18220
3799 1 8 . 1 1 41 41 GLY C C 32 174.251 174.251 176.470 -2.219 18220
3800 1 8 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.858 -0.357 18220
3801 1 8 . 1 1 41 41 GLY H H 32 8.123 8.123 7.565 0.558 18220
3802 1 8 . 1 1 42 42 LEU N N 33 123.250 123.250 123.385 -0.135 18220
3803 1 8 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.234 -0.377 18220
3804 1 8 . 1 1 42 42 LEU C C 33 176.033 176.033 178.800 -2.767 18220
3805 1 8 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.078 -1.410 18220
3806 1 8 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.127 -0.406 18220
3807 1 8 . 1 1 42 42 LEU H H 33 7.914 7.914 8.137 -0.223 18220
3808 1 8 . 1 1 43 43 PHE N N 34 119.757 119.757 119.388 0.369 18220
3809 1 8 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.175 0.025 18220
3810 1 8 . 1 1 43 43 PHE C C 34 174.374 174.374 178.046 -3.672 18220
3811 1 8 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.786 -2.910 18220
3812 1 8 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.691 0.143 18220
3813 1 8 . 1 1 43 43 PHE H H 34 8.287 8.287 8.703 -0.416 18220
3814 1 8 . 1 1 44 44 VAL N N 35 117.791 117.791 119.503 -1.712 18220
3815 1 8 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.835 -0.225 18220
3816 1 8 . 1 1 44 44 VAL C C 35 176.205 176.205 178.228 -2.023 18220
3817 1 8 . 1 1 44 44 VAL CA C 35 64.559 64.559 65.959 -1.400 18220
3818 1 8 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.473 -0.041 18220
3819 1 8 . 1 1 44 44 VAL H H 35 8.235 8.235 8.404 -0.169 18220
3820 1 8 . 1 1 45 45 GLY N N 36 108.551 108.551 107.645 0.906 18220
3821 1 8 . 1 1 45 45 GLY C C 36 173.749 173.749 175.746 -1.997 18220
3822 1 8 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.584 -1.501 18220
3823 1 8 . 1 1 45 45 GLY H H 36 8.178 8.178 8.261 -0.083 18220
3824 1 8 . 1 1 46 46 CYS N N 37 121.173 121.173 121.102 0.071 18220
3825 1 8 . 1 1 46 46 CYS HA H 37 4.180 4.180 3.995 0.185 18220
3826 1 8 . 1 1 46 46 CYS C C 37 173.710 173.710 176.732 -3.022 18220
3827 1 8 . 1 1 46 46 CYS CA C 37 63.000 63.000 65.033 -2.033 18220
3828 1 8 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.676 32.607 18220
3829 1 8 . 1 1 46 46 CYS H H 37 8.253 8.253 8.301 -0.048 18220
3830 1 8 . 1 1 47 47 LEU N N 38 120.283 120.283 120.504 -0.221 18220
3831 1 8 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.797 0.263 18220
3832 1 8 . 1 1 47 47 LEU C C 38 176.679 176.679 178.166 -1.487 18220
3833 1 8 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.353 -2.326 18220
3834 1 8 . 1 1 47 47 LEU CB C 38 41.464 41.464 42.020 -0.556 18220
3835 1 8 . 1 1 47 47 LEU H H 38 7.965 7.965 7.924 0.041 18220
3836 1 8 . 1 1 48 48 ALA N N 39 122.249 122.249 119.842 2.407 18220
3837 1 8 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.016 0.126 18220
3838 1 8 . 1 1 48 48 ALA C C 39 177.915 177.915 179.897 -1.982 18220
3839 1 8 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.360 -1.643 18220
3840 1 8 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.014 -0.028 18220
3841 1 8 . 1 1 48 48 ALA H H 39 8.066 8.066 8.134 -0.068 18220
3842 1 8 . 1 1 49 49 GLY N N 40 107.377 107.377 107.189 0.188 18220
3843 1 8 . 1 1 49 49 GLY C C 40 172.527 172.527 176.009 -3.482 18220
3844 1 8 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.083 -1.633 18220
3845 1 8 . 1 1 49 49 GLY H H 40 8.172 8.172 8.249 -0.077 18220
3846 1 8 . 1 1 50 50 TYR N N 41 122.409 122.409 122.916 -0.507 18220
3847 1 8 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.989 -0.190 18220
3848 1 8 . 1 1 50 50 TYR C C 41 174.208 174.208 178.489 -4.281 18220
3849 1 8 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.705 -2.460 18220
3850 1 8 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.151 -0.215 18220
3851 1 8 . 1 1 50 50 TYR H H 41 7.800 7.800 8.486 -0.686 18220
3852 1 8 . 1 1 51 51 GLY N N 42 106.935 106.935 105.876 1.059 18220
3853 1 8 . 1 1 51 51 GLY C C 42 172.642 172.642 175.681 -3.039 18220
3854 1 8 . 1 1 51 51 GLY CA C 42 46.265 46.265 47.080 -0.815 18220
3855 1 8 . 1 1 51 51 GLY H H 42 8.199 8.199 8.236 -0.037 18220
3856 1 8 . 1 1 52 52 ALA N N 43 123.018 123.018 125.205 -2.187 18220
3857 1 8 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.027 0.123 18220
3858 1 8 . 1 1 52 52 ALA C C 43 176.398 176.398 178.913 -2.515 18220
3859 1 8 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.566 -1.683 18220
3860 1 8 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.333 -0.092 18220
3861 1 8 . 1 1 52 52 ALA H H 43 7.758 7.758 8.043 -0.285 18220
3862 1 8 . 1 1 53 53 TYR N N 44 119.664 119.664 118.271 1.393 18220
3863 1 8 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.413 -0.095 18220
3864 1 8 . 1 1 53 53 TYR C C 44 174.180 174.180 177.909 -3.729 18220
3865 1 8 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.785 -2.192 18220
3866 1 8 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.846 -0.654 18220
3867 1 8 . 1 1 53 53 TYR H H 44 7.920 7.920 8.071 -0.151 18220
3868 1 8 . 1 1 54 54 ARG N N 45 119.516 119.516 119.220 0.296 18220
3869 1 8 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.279 -0.349 18220
3870 1 8 . 1 1 54 54 ARG C C 45 174.423 174.423 177.776 -3.353 18220
3871 1 8 . 1 1 54 54 ARG CA C 45 56.027 56.027 58.244 -2.217 18220
3872 1 8 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.752 -0.579 18220
3873 1 8 . 1 1 54 54 ARG H H 45 7.956 7.956 8.091 -0.135 18220
3874 1 8 . 1 1 55 55 VAL N N 46 116.437 116.437 119.393 -2.956 18220
3875 1 8 . 1 1 55 55 VAL HA H 46 4.060 4.060 4.242 -0.182 18220
3876 1 8 . 1 1 55 55 VAL C C 46 173.806 173.806 174.347 -0.541 18220
3877 1 8 . 1 1 55 55 VAL CA C 46 62.300 62.300 61.742 0.558 18220
3878 1 8 . 1 1 55 55 VAL CB C 46 31.521 31.521 30.487 1.034 18220
3879 1 8 . 1 1 55 55 VAL H H 46 7.489 7.489 8.163 -0.674 18220
3880 1 8 . 1 1 56 56 SER N N 47 117.185 117.185 115.206 1.979 18220
3881 1 8 . 1 1 56 56 SER HA H 47 4.401 4.401 4.531 -0.130 18220
3882 1 8 . 1 1 56 56 SER C C 47 172.074 172.074 171.929 0.145 18220
3883 1 8 . 1 1 56 56 SER CA C 47 58.133 58.133 57.785 0.348 18220
3884 1 8 . 1 1 56 56 SER CB C 47 63.468 63.468 64.849 -1.381 18220
3885 1 8 . 1 1 56 56 SER H H 47 7.728 7.728 7.191 0.537 18220
3886 1 8 . 1 1 57 57 ASN N N 48 121.049 121.049 117.536 3.513 18220
3887 1 8 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.698 -0.108 18220
3888 1 8 . 1 1 57 57 ASN CA C 48 53.600 53.600 52.209 1.391 18220
3889 1 8 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.607 0.034 18220
3890 1 8 . 1 1 57 57 ASN H H 48 8.228 8.228 8.273 -0.045 18220
3891 1 8 . 1 1 58 58 ASP N N 49 120.276 120.276 117.146 3.130 18220
3892 1 8 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.380 0.150 18220
3893 1 8 . 1 1 58 58 ASP CA C 49 54.202 54.202 53.687 0.515 18220
3894 1 8 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.531 -1.157 18220
3895 1 8 . 1 1 58 58 ASP H H 49 8.192 8.192 7.404 0.788 18220
3896 1 8 . 1 1 59 59 LYS N N 50 120.660 120.660 117.228 3.432 18220
3897 1 8 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.894 0.306 18220
3898 1 8 . 1 1 59 59 LYS C C 50 173.474 173.474 174.631 -1.157 18220
3899 1 8 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.862 -0.562 18220
3900 1 8 . 1 1 59 59 LYS CB C 50 32.034 32.034 33.009 -0.975 18220
3901 1 8 . 1 1 59 59 LYS H H 50 8.003 8.003 8.248 -0.245 18220
3902 1 8 . 1 1 60 60 ARG N N 51 121.278 121.278 121.443 -0.165 18220
3903 1 8 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.559 -0.359 18220
3904 1 8 . 1 1 60 60 ARG C C 51 173.303 173.303 174.552 -1.249 18220
3905 1 8 . 1 1 60 60 ARG CA C 51 56.283 56.283 55.019 1.264 18220
3906 1 8 . 1 1 60 60 ARG CB C 51 30.238 30.238 32.701 -2.463 18220
3907 1 8 . 1 1 60 60 ARG H H 51 8.091 8.091 8.150 -0.059 18220
3908 1 8 . 1 1 61 61 ASP N N 52 121.185 121.185 120.698 0.487 18220
3909 1 8 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.538 0.077 18220
3910 1 8 . 1 1 61 61 ASP C C 52 173.777 173.777 174.786 -1.009 18220
3911 1 8 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.063 -1.084 18220
3912 1 8 . 1 1 61 61 ASP CB C 52 40.245 40.245 39.215 1.030 18220
3913 1 8 . 1 1 61 61 ASP H H 52 8.261 8.261 8.683 -0.422 18220
3914 1 8 . 1 1 62 62 VAL N N 53 121.902 121.902 119.502 2.400 18220
3915 1 8 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.194 -0.244 18220
3916 1 8 . 1 1 62 62 VAL C C 53 173.279 173.279 176.943 -3.664 18220
3917 1 8 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.447 -0.272 18220
3918 1 8 . 1 1 62 62 VAL CB C 53 32.099 32.099 33.401 -1.302 18220
3919 1 8 . 1 1 62 62 VAL H H 53 7.997 7.997 8.252 -0.255 18220
3920 1 8 . 1 1 63 63 LYS N N 54 123.522 123.522 121.082 2.440 18220
3921 1 8 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.293 -0.033 18220
3922 1 8 . 1 1 63 63 LYS C C 54 174.481 174.481 178.880 -4.399 18220
3923 1 8 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.045 -2.698 18220
3924 1 8 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.695 -0.596 18220
3925 1 8 . 1 1 63 63 LYS H H 54 8.054 8.054 8.226 -0.172 18220
3926 1 8 . 1 1 64 64 VAL N N 55 120.647 120.647 118.071 2.576 18220
3927 1 8 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.578 0.369 18220
3928 1 8 . 1 1 64 64 VAL C C 55 174.955 174.955 177.824 -2.869 18220
3929 1 8 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.707 -2.107 18220
3930 1 8 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.361 0.516 18220
3931 1 8 . 1 1 64 64 VAL H H 55 8.225 8.225 8.204 0.021 18220
3932 1 8 . 1 1 65 65 SER N N 56 117.785 117.785 115.479 2.306 18220
3933 1 8 . 1 1 65 65 SER HA H 56 4.390 4.390 4.147 0.243 18220
3934 1 8 . 1 1 65 65 SER C C 56 172.300 172.300 176.470 -4.170 18220
3935 1 8 . 1 1 65 65 SER CA C 56 60.000 60.000 62.447 -2.447 18220
3936 1 8 . 1 1 65 65 SER CB C 56 62.879 62.879 62.613 0.266 18220
3937 1 8 . 1 1 65 65 SER H H 56 8.260 8.260 8.171 0.089 18220
3938 1 8 . 1 1 66 66 LEU N N 57 123.318 123.318 122.316 1.002 18220
3939 1 8 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.116 -0.026 18220
3940 1 8 . 1 1 66 66 LEU C C 57 175.932 175.932 178.180 -2.248 18220
3941 1 8 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.053 -0.551 18220
3942 1 8 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.071 -0.350 18220
3943 1 8 . 1 1 66 66 LEU H H 57 8.091 8.091 7.766 0.325 18220
3944 1 8 . 1 1 67 67 PHE N N 58 118.020 118.020 118.695 -0.675 18220
3945 1 8 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.384 -0.054 18220
3946 1 8 . 1 1 67 67 PHE C C 58 174.912 174.912 177.480 -2.568 18220
3947 1 8 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.163 -0.563 18220
3948 1 8 . 1 1 67 67 PHE CB C 58 38.552 38.552 39.169 -0.617 18220
3949 1 8 . 1 1 67 67 PHE H H 58 8.066 8.066 8.528 -0.462 18220
3950 1 8 . 1 1 68 68 THR N N 59 115.324 115.324 117.353 -2.029 18220
3951 1 8 . 1 1 68 68 THR HA H 59 4.310 4.310 4.147 0.163 18220
3952 1 8 . 1 1 68 68 THR C C 59 173.380 173.380 176.438 -3.058 18220
3953 1 8 . 1 1 68 68 THR CA C 59 66.313 66.313 67.292 -0.979 18220
3954 1 8 . 1 1 68 68 THR CB C 59 67.700 67.700 68.868 -1.167 18220
3955 1 8 . 1 1 68 68 THR H H 59 8.287 8.287 8.318 -0.031 18220
3956 1 8 . 1 1 69 69 ALA N N 60 123.621 123.621 125.013 -1.392 18220
3957 1 8 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.182 0.098 18220
3958 1 8 . 1 1 69 69 ALA C C 60 176.978 176.978 179.203 -2.225 18220
3959 1 8 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.252 -0.152 18220
3960 1 8 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.058 -0.330 18220
3961 1 8 . 1 1 69 69 ALA H H 60 7.983 7.983 8.332 -0.349 18220
3962 1 8 . 1 1 70 70 PHE N N 61 118.520 118.520 119.563 -1.043 18220
3963 1 8 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.112 0.148 18220
3964 1 8 . 1 1 70 70 PHE C C 61 175.369 175.369 177.379 -2.010 18220
3965 1 8 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.964 -1.785 18220
3966 1 8 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.182 -0.476 18220
3967 1 8 . 1 1 70 70 PHE H H 61 8.007 8.007 8.370 -0.363 18220
3968 1 8 . 1 1 71 71 PHE N N 62 122.314 122.314 119.109 3.205 18220
3969 1 8 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.122 -0.122 18220
3970 1 8 . 1 1 71 71 PHE C C 62 174.697 174.697 177.142 -2.445 18220
3971 1 8 . 1 1 71 71 PHE CA C 62 60.517 60.517 60.736 -0.219 18220
3972 1 8 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.670 0.100 18220
3973 1 8 . 1 1 71 71 PHE H H 62 8.546 8.546 8.087 0.459 18220
3974 1 8 . 1 1 72 72 LEU N N 63 119.399 119.399 121.670 -2.271 18220
3975 1 8 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.707 0.163 18220
3976 1 8 . 1 1 72 72 LEU C C 63 175.774 175.774 178.286 -2.512 18220
3977 1 8 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.267 -1.343 18220
3978 1 8 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.581 -0.374 18220
3979 1 8 . 1 1 72 72 LEU H H 63 8.396 8.396 8.173 0.223 18220
3980 1 8 . 1 1 73 73 ALA N N 64 120.221 120.221 119.863 0.358 18220
3981 1 8 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.853 0.107 18220
3982 1 8 . 1 1 73 73 ALA C C 64 177.267 177.267 179.554 -2.287 18220
3983 1 8 . 1 1 73 73 ALA CA C 64 54.600 54.600 54.983 -0.383 18220
3984 1 8 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.855 -0.071 18220
3985 1 8 . 1 1 73 73 ALA H H 64 8.025 8.025 8.118 -0.093 18220
3986 1 8 . 1 1 74 74 THR N N 65 113.648 113.648 114.771 -1.123 18220
3987 1 8 . 1 1 74 74 THR HA H 65 3.980 3.980 3.851 0.129 18220
3988 1 8 . 1 1 74 74 THR CA C 65 66.291 66.291 67.550 -1.259 18220
3989 1 8 . 1 1 74 74 THR CB C 65 67.914 67.914 68.795 -0.881 18220
3990 1 8 . 1 1 74 74 THR H H 65 7.717 7.717 7.798 -0.081 18220
3991 1 8 . 1 1 75 75 ILE N N 66 120.291 120.291 119.624 0.667 18220
3992 1 8 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.584 0.156 18220
3993 1 8 . 1 1 75 75 ILE C C 66 174.951 174.951 176.932 -1.981 18220
3994 1 8 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.533 1.347 18220
3995 1 8 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.922 -0.756 18220
3996 1 8 . 1 1 75 75 ILE H H 66 7.738 7.738 7.600 0.138 18220
3997 1 8 . 1 1 76 76 MET N N 67 117.618 117.618 117.360 0.258 18220
3998 1 8 . 1 1 76 76 MET HA H 67 4.220 4.220 4.090 0.130 18220
3999 1 8 . 1 1 76 76 MET C C 67 175.142 175.142 177.064 -1.922 18220
4000 1 8 . 1 1 76 76 MET CA C 67 56.723 56.723 57.922 -1.199 18220
4001 1 8 . 1 1 76 76 MET CB C 67 31.951 31.951 33.531 -1.580 18220
4002 1 8 . 1 1 76 76 MET H H 67 7.823 7.823 7.874 -0.051 18220
4003 1 8 . 1 1 77 77 GLY N N 68 107.110 107.110 105.660 1.450 18220
4004 1 8 . 1 1 77 77 GLY C C 68 172.260 172.260 173.331 -1.071 18220
4005 1 8 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.593 1.208 18220
4006 1 8 . 1 1 77 77 GLY H H 68 7.937 7.937 7.842 0.095 18220
4007 1 8 . 1 1 78 78 VAL N N 69 120.431 120.431 122.701 -2.270 18220
4008 1 8 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.338 -0.118 18220
4009 1 8 . 1 1 78 78 VAL CA C 69 63.900 63.900 59.819 4.081 18220
4010 1 8 . 1 1 78 78 VAL CB C 69 31.506 31.506 33.568 -2.062 18220
4011 1 8 . 1 1 78 78 VAL H H 69 7.697 7.697 7.880 -0.183 18220
4012 1 8 . 1 1 79 79 ARG N N 70 121.420 121.420 126.177 -4.757 18220
4013 1 8 . 1 1 79 79 ARG HA H 70 3.810 3.810 3.988 -0.178 18220
4014 1 8 . 1 1 79 79 ARG CA C 70 56.400 56.400 58.382 -1.982 18220
4015 1 8 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.456 -0.359 18220
4016 1 8 . 1 1 79 79 ARG H H 70 7.889 7.889 8.556 -0.667 18220
4017 1 8 . 1 1 80 80 PHE N N 71 119.949 119.949 114.932 5.017 18220
4018 1 8 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.633 -0.123 18220
4019 1 8 . 1 1 80 80 PHE CA C 71 58.600 58.600 55.644 2.956 18220
4020 1 8 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.748 -0.603 18220
4021 1 8 . 1 1 80 80 PHE H H 71 8.101 8.101 7.598 0.503 18220
4022 1 8 . 1 1 81 81 LYS N N 72 122.193 122.193 122.251 -0.058 18220
4023 1 8 . 1 1 81 81 LYS CA C 72 56.800 56.800 57.065 -0.265 18220
4024 1 8 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.066 -0.745 18220
4025 1 8 . 1 1 81 81 LYS H H 72 8.090 8.090 8.568 -0.478 18220
4026 1 8 . 1 1 82 82 ARG N N 73 119.650 119.650 122.674 -3.024 18220
4027 1 8 . 1 1 82 82 ARG CA C 73 56.089 56.089 55.983 0.106 18220
4028 1 8 . 1 1 82 82 ARG CB C 73 30.171 30.171 29.544 0.627 18220
4029 1 8 . 1 1 82 82 ARG H H 73 8.052 8.052 8.523 -0.471 18220
4030 1 8 . 1 1 83 83 SER N N 74 115.734 115.734 118.974 -3.240 18220
4031 1 8 . 1 1 83 83 SER CA C 74 58.355 58.355 58.465 -0.110 18220
4032 1 8 . 1 1 83 83 SER CB C 74 63.404 63.404 64.546 -1.142 18220
4033 1 8 . 1 1 83 83 SER H H 74 7.912 7.912 8.533 -0.621 18220
4034 1 8 . 1 1 84 84 LYS N N 75 122.370 122.370 120.776 1.594 18220
4035 1 8 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.741 -0.606 18220
4036 1 8 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.225 -1.050 18220
4037 1 8 . 1 1 84 84 LYS H H 75 8.067 8.067 8.181 -0.114 18220
4038 1 8 . 1 1 86 86 ILE N N 77 119.592 119.592 115.294 4.298 18220
4039 1 8 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.810 -0.000 18220
4040 1 8 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.015 2.885 18220
4041 1 8 . 1 1 86 86 ILE CB C 77 39.145 39.145 36.617 2.528 18220
4042 1 8 . 1 1 86 86 ILE H H 77 7.837 7.837 8.528 -0.691 18220
4043 1 8 . 1 1 87 87 MET N N 78 121.645 121.645 123.454 -1.809 18220
4044 1 8 . 1 1 87 87 MET CA C 78 52.982 52.982 59.825 -6.843 18220
4045 1 8 . 1 1 87 87 MET CB C 78 32.173 32.173 31.226 0.947 18220
4046 1 8 . 1 1 87 87 MET H H 78 7.950 7.950 8.664 -0.714 18220
4047 1 8 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.577 -0.437 18220
4048 1 8 . 1 1 88 88 PRO C C 79 173.921 173.921 176.096 -2.175 18220
4049 1 8 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.513 0.287 18220
4050 1 8 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.414 1.722 18220
4051 1 8 . 1 1 89 89 ALA N N 80 124.431 124.431 124.771 -0.340 18220
4052 1 8 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.105 0.295 18220
4053 1 8 . 1 1 89 89 ALA C C 80 176.234 176.234 179.218 -2.984 18220
4054 1 8 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.525 -2.225 18220
4055 1 8 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.841 -0.343 18220
4056 1 8 . 1 1 89 89 ALA H H 80 8.320 8.320 8.406 -0.086 18220
4057 1 8 . 1 1 90 90 GLY N N 81 106.834 106.834 107.379 -0.545 18220
4058 1 8 . 1 1 90 90 GLY C C 81 172.398 172.398 175.942 -3.544 18220
4059 1 8 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.497 -1.897 18220
4060 1 8 . 1 1 90 90 GLY H H 81 8.458 8.458 8.768 -0.310 18220
4061 1 8 . 1 1 91 91 LEU N N 82 121.043 121.043 121.107 -0.064 18220
4062 1 8 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.942 0.258 18220
4063 1 8 . 1 1 91 91 LEU C C 82 174.783 174.783 178.650 -3.867 18220
4064 1 8 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.950 -1.649 18220
4065 1 8 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.232 -0.126 18220
4066 1 8 . 1 1 91 91 LEU H H 82 7.687 7.687 7.894 -0.207 18220
4067 1 8 . 1 1 92 92 VAL N N 83 114.737 114.737 118.624 -3.887 18220
4068 1 8 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.574 0.406 18220
4069 1 8 . 1 1 92 92 VAL C C 83 173.634 173.634 177.779 -4.145 18220
4070 1 8 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.381 -3.981 18220
4071 1 8 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.178 0.407 18220
4072 1 8 . 1 1 92 92 VAL H H 83 7.602 7.602 7.768 -0.166 18220
4073 1 8 . 1 1 93 93 ALA N N 84 124.320 124.320 121.661 2.659 18220
4074 1 8 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.154 -0.004 18220
4075 1 8 . 1 1 93 93 ALA C C 84 175.746 175.746 179.889 -4.143 18220
4076 1 8 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.201 -1.901 18220
4077 1 8 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.968 0.273 18220
4078 1 8 . 1 1 93 93 ALA H H 84 7.891 7.891 8.391 -0.500 18220
4079 1 8 . 1 1 94 94 GLY N N 85 106.807 106.807 108.259 -1.452 18220
4080 1 8 . 1 1 94 94 GLY C C 85 171.752 171.752 176.004 -4.252 18220
4081 1 8 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.806 -1.557 18220
4082 1 8 . 1 1 94 94 GLY H H 85 8.204 8.204 8.077 0.127 18220
4083 1 8 . 1 1 95 95 LEU N N 86 121.266 121.266 122.123 -0.857 18220
4084 1 8 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.878 0.502 18220
4085 1 8 . 1 1 95 95 LEU C C 86 173.702 173.702 179.113 -5.411 18220
4086 1 8 . 1 1 95 95 LEU CA C 86 55.000 55.000 58.392 -3.392 18220
4087 1 8 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.593 0.706 18220
4088 1 8 . 1 1 95 95 LEU H H 86 7.718 7.718 8.349 -0.631 18220
4089 1 8 . 1 1 96 96 SER N N 87 115.658 115.658 114.875 0.783 18220
4090 1 8 . 1 1 96 96 SER HA H 87 4.370 4.370 4.188 0.182 18220
4091 1 8 . 1 1 96 96 SER C C 87 172.479 172.479 176.776 -4.297 18220
4092 1 8 . 1 1 96 96 SER CA C 87 57.200 57.200 61.704 -4.504 18220
4093 1 8 . 1 1 96 96 SER CB C 87 64.174 64.174 62.865 1.309 18220
4094 1 8 . 1 1 96 96 SER H H 87 7.659 7.659 8.045 -0.386 18220
4095 1 8 . 1 1 97 97 LEU N N 88 123.720 123.720 122.549 1.171 18220
4096 1 8 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.896 0.704 18220
4097 1 8 . 1 1 97 97 LEU C C 88 175.932 175.932 178.667 -2.735 18220
4098 1 8 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.193 -0.593 18220
4099 1 8 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.053 -0.653 18220
4100 1 8 . 1 1 97 97 LEU H H 88 8.733 8.733 7.973 0.760 18220
4101 1 8 . 1 1 98 98 MET N N 89 116.684 116.684 118.455 -1.771 18220
4102 1 8 . 1 1 98 98 MET HA H 89 4.280 4.280 3.966 0.314 18220
4103 1 8 . 1 1 98 98 MET C C 89 175.789 175.789 178.405 -2.616 18220
4104 1 8 . 1 1 98 98 MET CA C 89 56.915 56.915 59.276 -2.361 18220
4105 1 8 . 1 1 98 98 MET CB C 89 31.007 31.007 32.551 -1.544 18220
4106 1 8 . 1 1 98 98 MET H H 89 8.342 8.342 8.301 0.041 18220
4107 1 8 . 1 1 99 99 MET N N 90 119.182 119.182 120.022 -0.840 18220
4108 1 8 . 1 1 99 99 MET HA H 90 4.110 4.110 3.971 0.139 18220
4109 1 8 . 1 1 99 99 MET C C 90 175.588 175.588 178.429 -2.841 18220
4110 1 8 . 1 1 99 99 MET CA C 90 57.951 57.951 59.301 -1.350 18220
4111 1 8 . 1 1 99 99 MET CB C 90 32.226 32.226 32.428 -0.202 18220
4112 1 8 . 1 1 99 99 MET H H 90 7.720 7.720 8.042 -0.322 18220
4113 1 8 . 1 1 100 100 ILE N N 91 119.077 119.077 119.524 -0.447 18220
4114 1 8 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.672 0.438 18220
4115 1 8 . 1 1 100 100 ILE C C 91 174.634 174.634 178.471 -3.837 18220
4116 1 8 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.298 -0.198 18220
4117 1 8 . 1 1 100 100 ILE CB C 91 37.143 37.143 36.462 0.681 18220
4118 1 8 . 1 1 100 100 ILE H H 91 7.662 7.662 8.195 -0.533 18220
4119 1 8 . 1 1 101 101 LEU N N 92 119.646 119.646 119.943 -0.297 18220
4120 1 8 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.935 0.595 18220
4121 1 8 . 1 1 101 101 LEU C C 92 175.430 175.430 179.075 -3.645 18220
4122 1 8 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.611 -0.811 18220
4123 1 8 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.780 -1.022 18220
4124 1 8 . 1 1 101 101 LEU H H 92 8.142 8.142 8.371 -0.229 18220
4125 1 8 . 1 1 102 102 ARG N N 93 116.394 116.394 118.810 -2.416 18220
4126 1 8 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.072 0.068 18220
4127 1 8 . 1 1 102 102 ARG C C 93 175.961 175.961 178.311 -2.350 18220
4128 1 8 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.785 0.315 18220
4129 1 8 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.871 -0.467 18220
4130 1 8 . 1 1 102 102 ARG H H 93 7.893 7.893 8.231 -0.338 18220
4131 1 8 . 1 1 103 103 LEU N N 94 119.114 119.114 120.595 -1.481 18220
4132 1 8 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.101 0.009 18220
4133 1 8 . 1 1 103 103 LEU C C 94 175.889 175.889 179.288 -3.399 18220
4134 1 8 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.855 -0.555 18220
4135 1 8 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.021 0.275 18220
4136 1 8 . 1 1 103 103 LEU H H 94 7.622 7.622 7.946 -0.324 18220
4137 1 8 . 1 1 104 104 VAL N N 95 117.704 117.704 118.929 -1.225 18220
4138 1 8 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.797 -0.267 18220
4139 1 8 . 1 1 104 104 VAL C C 95 175.042 175.042 178.094 -3.052 18220
4140 1 8 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.354 1.065 18220
4141 1 8 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.377 -0.020 18220
4142 1 8 . 1 1 104 104 VAL H H 95 8.026 8.026 7.581 0.445 18220
4143 1 8 . 1 1 105 105 LEU N N 96 117.185 117.185 120.615 -3.430 18220
4144 1 8 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.935 0.045 18220
4145 1 8 . 1 1 105 105 LEU C C 96 176.579 176.579 178.697 -2.118 18220
4146 1 8 . 1 1 105 105 LEU CA C 96 56.800 56.800 58.397 -1.597 18220
4147 1 8 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.845 -0.894 18220
4148 1 8 . 1 1 105 105 LEU H H 96 7.893 7.893 8.022 -0.129 18220
4149 1 8 . 1 1 106 106 LEU N N 97 118.471 118.471 119.868 -1.397 18220
4150 1 8 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.861 0.319 18220
4151 1 8 . 1 1 106 106 LEU C C 97 175.802 175.802 178.459 -2.657 18220
4152 1 8 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.976 -1.676 18220
4153 1 8 . 1 1 106 106 LEU CB C 97 41.592 41.592 42.144 -0.552 18220
4154 1 8 . 1 1 106 106 LEU H H 97 7.545 7.545 7.640 -0.095 18220
4155 1 8 . 1 1 107 107 LEU N N 98 118.162 118.162 118.495 -0.333 18220
4156 1 8 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.105 0.125 18220
4157 1 8 . 1 1 107 107 LEU C C 98 174.174 174.174 177.851 -3.677 18220
4158 1 8 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.556 -0.273 18220
4159 1 8 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.589 -0.227 18220
4160 1 8 . 1 1 107 107 LEU H H 98 7.688 7.688 8.294 -0.606 18220
4161 1 9 . 1 1 11 11 ASP N N 2 120.536 120.536 119.264 1.272 18220
4162 1 9 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.993 1.925 18220
4163 1 9 . 1 1 11 11 ASP CB C 2 37.959 37.959 42.289 -4.330 18220
4164 1 9 . 1 1 11 11 ASP H H 2 7.863 7.863 8.013 -0.150 18220
4165 1 9 . 1 1 12 12 LEU N N 3 121.414 121.414 121.007 0.407 18220
4166 1 9 . 1 1 12 12 LEU C C 3 176.162 176.162 175.841 0.321 18220
4167 1 9 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.350 2.250 18220
4168 1 9 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.508 -0.851 18220
4169 1 9 . 1 1 12 12 LEU H H 3 8.285 8.285 8.205 0.080 18220
4170 1 9 . 1 1 13 13 ILE N N 4 118.854 118.854 122.111 -3.257 18220
4171 1 9 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.266 -0.526 18220
4172 1 9 . 1 1 13 13 ILE C C 4 175.228 175.228 175.407 -0.179 18220
4173 1 9 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.106 3.394 18220
4174 1 9 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.456 -1.354 18220
4175 1 9 . 1 1 13 13 ILE H H 4 8.031 8.031 8.310 -0.279 18220
4176 1 9 . 1 1 14 14 GLY N N 5 107.478 107.478 113.750 -6.272 18220
4177 1 9 . 1 1 14 14 GLY C C 5 174.424 174.424 174.950 -0.526 18220
4178 1 9 . 1 1 14 14 GLY CA C 5 47.059 47.059 44.374 2.685 18220
4179 1 9 . 1 1 14 14 GLY H H 5 8.148 8.148 8.198 -0.050 18220
4180 1 9 . 1 1 15 15 PHE N N 6 122.774 122.774 125.837 -3.063 18220
4181 1 9 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.097 0.383 18220
4182 1 9 . 1 1 15 15 PHE C C 6 175.113 175.113 177.492 -2.379 18220
4183 1 9 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.362 -1.345 18220
4184 1 9 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.037 -0.263 18220
4185 1 9 . 1 1 15 15 PHE H H 6 8.194 8.194 8.887 -0.693 18220
4186 1 9 . 1 1 16 16 GLY N N 7 107.938 107.938 107.710 0.228 18220
4187 1 9 . 1 1 16 16 GLY C C 7 171.838 171.838 176.270 -4.432 18220
4188 1 9 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.249 -0.149 18220
4189 1 9 . 1 1 16 16 GLY H H 7 8.697 8.697 8.427 0.270 18220
4190 1 9 . 1 1 17 17 TYR N N 8 121.785 121.785 123.780 -1.995 18220
4191 1 9 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.077 0.073 18220
4192 1 9 . 1 1 17 17 TYR C C 8 174.180 174.180 177.010 -2.830 18220
4193 1 9 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.004 0.296 18220
4194 1 9 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.204 -0.245 18220
4195 1 9 . 1 1 17 17 TYR H H 8 8.710 8.710 7.740 0.970 18220
4196 1 9 . 1 1 18 18 ALA N N 9 120.233 120.233 120.880 -0.647 18220
4197 1 9 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.956 -0.006 18220
4198 1 9 . 1 1 18 18 ALA C C 9 178.059 178.059 179.044 -0.985 18220
4199 1 9 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.116 -0.244 18220
4200 1 9 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.742 -0.180 18220
4201 1 9 . 1 1 18 18 ALA H H 9 7.843 7.843 8.330 -0.487 18220
4202 1 9 . 1 1 19 19 ALA N N 10 121.797 121.797 121.162 0.635 18220
4203 1 9 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.226 -0.276 18220
4204 1 9 . 1 1 19 19 ALA C C 10 176.191 176.191 179.730 -3.539 18220
4205 1 9 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.598 0.002 18220
4206 1 9 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.404 -0.842 18220
4207 1 9 . 1 1 19 19 ALA H H 10 8.212 8.212 7.842 0.370 18220
4208 1 9 . 1 1 20 20 LEU N N 11 119.442 119.442 121.372 -1.930 18220
4209 1 9 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.149 -0.212 18220
4210 1 9 . 1 1 20 20 LEU C C 11 176.694 176.694 178.330 -1.636 18220
4211 1 9 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.081 -0.281 18220
4212 1 9 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.010 -0.788 18220
4213 1 9 . 1 1 20 20 LEU H H 11 8.065 8.065 7.909 0.156 18220
4214 1 9 . 1 1 21 21 VAL N N 12 118.323 118.323 117.684 0.639 18220
4215 1 9 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.410 0.230 18220
4216 1 9 . 1 1 21 21 VAL C C 12 176.536 176.536 177.608 -1.072 18220
4217 1 9 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.528 -1.128 18220
4218 1 9 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.281 -0.146 18220
4219 1 9 . 1 1 21 21 VAL H H 12 8.051 8.051 8.361 -0.310 18220
4220 1 9 . 1 1 22 22 THR N N 13 118.298 118.298 117.380 0.918 18220
4221 1 9 . 1 1 22 22 THR HA H 13 4.660 4.660 3.992 0.668 18220
4222 1 9 . 1 1 22 22 THR C C 13 173.734 173.734 176.209 -2.475 18220
4223 1 9 . 1 1 22 22 THR CA C 13 66.300 66.300 67.212 -0.912 18220
4224 1 9 . 1 1 22 22 THR CB C 13 67.775 67.775 68.497 -0.722 18220
4225 1 9 . 1 1 22 22 THR H H 13 7.944 7.944 7.868 0.076 18220
4226 1 9 . 1 1 23 23 PHE N N 14 121.328 121.328 121.059 0.269 18220
4227 1 9 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.044 0.296 18220
4228 1 9 . 1 1 23 23 PHE C C 14 174.783 174.783 178.033 -3.250 18220
4229 1 9 . 1 1 23 23 PHE CA C 14 60.500 60.500 62.299 -1.799 18220
4230 1 9 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.656 -0.030 18220
4231 1 9 . 1 1 23 23 PHE H H 14 8.567 8.567 8.255 0.312 18220
4232 1 9 . 1 1 24 24 GLY N N 15 106.871 106.871 105.534 1.337 18220
4233 1 9 . 1 1 24 24 GLY C C 15 172.858 172.858 175.982 -3.124 18220
4234 1 9 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.188 -0.288 18220
4235 1 9 . 1 1 24 24 GLY H H 15 8.475 8.475 8.457 0.018 18220
4236 1 9 . 1 1 25 25 SER N N 16 116.214 116.214 117.621 -1.407 18220
4237 1 9 . 1 1 25 25 SER HA H 16 4.280 4.280 4.096 0.184 18220
4238 1 9 . 1 1 25 25 SER CA C 16 60.300 60.300 61.665 -1.365 18220
4239 1 9 . 1 1 25 25 SER CB C 16 62.879 62.879 63.144 -0.265 18220
4240 1 9 . 1 1 25 25 SER H H 16 7.963 7.963 8.086 -0.123 18220
4241 1 9 . 1 1 26 26 ILE N N 17 121.024 121.024 120.744 0.280 18220
4242 1 9 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.577 0.369 18220
4243 1 9 . 1 1 26 26 ILE C C 17 173.935 173.935 178.470 -4.535 18220
4244 1 9 . 1 1 26 26 ILE CA C 17 63.100 63.100 63.930 -0.830 18220
4245 1 9 . 1 1 26 26 ILE CB C 17 38.107 38.107 36.774 1.333 18220
4246 1 9 . 1 1 26 26 ILE H H 17 7.676 7.676 8.363 -0.687 18220
4247 1 9 . 1 1 27 27 PHE N N 18 117.142 117.142 120.499 -3.357 18220
4248 1 9 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.355 0.075 18220
4249 1 9 . 1 1 27 27 PHE C C 18 173.504 173.504 177.502 -3.998 18220
4250 1 9 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.945 -2.445 18220
4251 1 9 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.970 -0.196 18220
4252 1 9 . 1 1 27 27 PHE H H 18 7.703 7.703 8.355 -0.652 18220
4253 1 9 . 1 1 28 28 GLY N N 19 107.303 107.303 104.100 3.203 18220
4254 1 9 . 1 1 28 28 GLY C C 19 171.593 171.593 173.969 -2.376 18220
4255 1 9 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.170 0.430 18220
4256 1 9 . 1 1 28 28 GLY H H 19 7.722 7.722 7.749 -0.027 18220
4257 1 9 . 1 1 29 29 TYR N N 20 119.862 119.862 118.720 1.142 18220
4258 1 9 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.190 0.202 18220
4259 1 9 . 1 1 29 29 TYR C C 20 173.174 173.174 174.676 -1.502 18220
4260 1 9 . 1 1 29 29 TYR CA C 20 58.500 58.500 59.299 -0.799 18220
4261 1 9 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.624 0.780 18220
4262 1 9 . 1 1 29 29 TYR H H 20 7.880 7.880 8.009 -0.129 18220
4263 1 9 . 1 1 30 30 LYS N N 21 122.335 122.335 127.892 -5.557 18220
4264 1 9 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.567 -0.177 18220
4265 1 9 . 1 1 30 30 LYS C C 21 173.547 173.547 175.702 -2.155 18220
4266 1 9 . 1 1 30 30 LYS CA C 21 55.800 55.800 55.660 0.140 18220
4267 1 9 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.334 -0.938 18220
4268 1 9 . 1 1 30 30 LYS H H 21 7.934 7.934 8.497 -0.563 18220
4269 1 9 . 1 1 31 31 ARG N N 22 120.612 120.612 120.767 -0.155 18220
4270 1 9 . 1 1 31 31 ARG C C 22 173.547 173.547 175.226 -1.679 18220
4271 1 9 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.952 -1.117 18220
4272 1 9 . 1 1 31 31 ARG CB C 22 30.101 30.101 29.857 0.244 18220
4273 1 9 . 1 1 31 31 ARG H H 22 7.905 7.905 8.459 -0.554 18220
4274 1 9 . 1 1 32 32 ARG N N 23 121.748 121.748 121.823 -0.075 18220
4275 1 9 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.372 -0.062 18220
4276 1 9 . 1 1 32 32 ARG C C 23 173.863 173.863 174.841 -0.978 18220
4277 1 9 . 1 1 32 32 ARG CA C 23 55.800 55.800 55.324 0.476 18220
4278 1 9 . 1 1 32 32 ARG CB C 23 30.245 30.245 32.477 -2.232 18220
4279 1 9 . 1 1 32 32 ARG H H 23 8.175 8.175 8.425 -0.250 18220
4280 1 9 . 1 1 33 33 GLY N N 24 109.528 109.528 108.602 0.926 18220
4281 1 9 . 1 1 33 33 GLY C C 24 171.752 171.752 173.558 -1.806 18220
4282 1 9 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.249 0.651 18220
4283 1 9 . 1 1 33 33 GLY H H 24 8.264 8.264 8.163 0.101 18220
4284 1 9 . 1 1 34 34 GLY N N 25 108.563 108.563 107.868 0.695 18220
4285 1 9 . 1 1 34 34 GLY C C 25 171.701 171.701 174.467 -2.766 18220
4286 1 9 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.184 -0.584 18220
4287 1 9 . 1 1 34 34 GLY H H 25 8.208 8.208 8.986 -0.778 18220
4288 1 9 . 1 1 35 35 VAL N N 26 121.164 121.164 120.604 0.560 18220
4289 1 9 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.282 -0.272 18220
4290 1 9 . 1 1 35 35 VAL C C 26 175.888 175.888 173.751 2.137 18220
4291 1 9 . 1 1 35 35 VAL CA C 26 63.900 63.900 60.059 3.841 18220
4292 1 9 . 1 1 35 35 VAL CB C 26 30.690 30.690 34.354 -3.664 18220
4293 1 9 . 1 1 35 35 VAL H H 26 8.485 8.485 7.850 0.635 18220
4294 1 9 . 1 1 36 36 PRO C C 27 177.660 177.660 175.787 1.873 18220
4295 1 9 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.532 -1.685 18220
4296 1 9 . 1 1 37 37 SER N N 28 116.023 116.023 116.576 -0.553 18220
4297 1 9 . 1 1 37 37 SER HA H 28 4.280 4.280 4.380 -0.100 18220
4298 1 9 . 1 1 37 37 SER CA C 28 61.100 61.100 58.810 2.289 18220
4299 1 9 . 1 1 37 37 SER H H 28 7.948 7.948 8.216 -0.268 18220
4300 1 9 . 1 1 38 38 LEU N N 29 124.029 124.029 124.977 -0.948 18220
4301 1 9 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.048 0.122 18220
4302 1 9 . 1 1 38 38 LEU C C 29 176.132 176.132 177.854 -1.722 18220
4303 1 9 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.065 -0.565 18220
4304 1 9 . 1 1 38 38 LEU CB C 29 42.038 42.038 42.019 0.019 18220
4305 1 9 . 1 1 38 38 LEU H H 29 8.201 8.201 8.287 -0.086 18220
4306 1 9 . 1 1 39 39 ILE N N 30 117.098 117.098 118.625 -1.527 18220
4307 1 9 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.601 0.769 18220
4308 1 9 . 1 1 39 39 ILE C C 30 176.478 176.478 177.098 -0.620 18220
4309 1 9 . 1 1 39 39 ILE CA C 30 63.079 63.079 65.235 -2.156 18220
4310 1 9 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.839 -0.866 18220
4311 1 9 . 1 1 39 39 ILE H H 30 7.662 7.662 7.675 -0.013 18220
4312 1 9 . 1 1 40 40 ALA N N 31 122.447 122.447 121.206 1.241 18220
4313 1 9 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.155 -0.121 18220
4314 1 9 . 1 1 40 40 ALA C C 31 177.067 177.067 179.636 -2.569 18220
4315 1 9 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.440 0.522 18220
4316 1 9 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.604 0.252 18220
4317 1 9 . 1 1 40 40 ALA H H 31 8.096 8.096 8.061 0.035 18220
4318 1 9 . 1 1 41 41 GLY N N 32 104.056 104.056 106.858 -2.802 18220
4319 1 9 . 1 1 41 41 GLY C C 32 174.251 174.251 176.288 -2.037 18220
4320 1 9 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.579 -0.079 18220
4321 1 9 . 1 1 41 41 GLY H H 32 8.123 8.123 7.582 0.541 18220
4322 1 9 . 1 1 42 42 LEU N N 33 123.250 123.250 122.788 0.462 18220
4323 1 9 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.127 -0.270 18220
4324 1 9 . 1 1 42 42 LEU C C 33 176.033 176.033 178.070 -2.037 18220
4325 1 9 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.447 -0.779 18220
4326 1 9 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.061 -0.340 18220
4327 1 9 . 1 1 42 42 LEU H H 33 7.914 7.914 8.025 -0.111 18220
4328 1 9 . 1 1 43 43 PHE N N 34 119.757 119.757 120.026 -0.269 18220
4329 1 9 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.166 0.034 18220
4330 1 9 . 1 1 43 43 PHE C C 34 174.374 174.374 177.603 -3.229 18220
4331 1 9 . 1 1 43 43 PHE CA C 34 59.876 59.876 61.818 -1.942 18220
4332 1 9 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.224 -0.390 18220
4333 1 9 . 1 1 43 43 PHE H H 34 8.287 8.287 8.383 -0.096 18220
4334 1 9 . 1 1 44 44 VAL N N 35 117.791 117.791 115.598 2.193 18220
4335 1 9 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.893 -0.283 18220
4336 1 9 . 1 1 44 44 VAL C C 35 176.205 176.205 178.134 -1.929 18220
4337 1 9 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.505 -1.946 18220
4338 1 9 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.075 0.357 18220
4339 1 9 . 1 1 44 44 VAL H H 35 8.235 8.235 8.634 -0.399 18220
4340 1 9 . 1 1 45 45 GLY N N 36 108.551 108.551 108.356 0.195 18220
4341 1 9 . 1 1 45 45 GLY C C 36 173.749 173.749 175.388 -1.639 18220
4342 1 9 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.165 -1.082 18220
4343 1 9 . 1 1 45 45 GLY H H 36 8.178 8.178 8.480 -0.302 18220
4344 1 9 . 1 1 46 46 CYS N N 37 121.173 121.173 118.823 2.350 18220
4345 1 9 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.170 0.010 18220
4346 1 9 . 1 1 46 46 CYS C C 37 173.710 173.710 176.558 -2.848 18220
4347 1 9 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.020 -0.020 18220
4348 1 9 . 1 1 46 46 CYS CB C 37 60.283 60.283 28.092 32.191 18220
4349 1 9 . 1 1 46 46 CYS H H 37 8.253 8.253 8.086 0.167 18220
4350 1 9 . 1 1 47 47 LEU N N 38 120.283 120.283 122.620 -2.337 18220
4351 1 9 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.120 -0.060 18220
4352 1 9 . 1 1 47 47 LEU C C 38 176.679 176.679 178.964 -2.285 18220
4353 1 9 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.120 -2.093 18220
4354 1 9 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.265 0.199 18220
4355 1 9 . 1 1 47 47 LEU H H 38 7.965 7.965 8.340 -0.375 18220
4356 1 9 . 1 1 48 48 ALA N N 39 122.249 122.249 119.905 2.344 18220
4357 1 9 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.134 0.008 18220
4358 1 9 . 1 1 48 48 ALA C C 39 177.915 177.915 179.871 -1.956 18220
4359 1 9 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.299 -1.582 18220
4360 1 9 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.306 -0.321 18220
4361 1 9 . 1 1 48 48 ALA H H 39 8.066 8.066 8.667 -0.601 18220
4362 1 9 . 1 1 49 49 GLY N N 40 107.377 107.377 107.725 -0.348 18220
4363 1 9 . 1 1 49 49 GLY C C 40 172.527 172.527 175.425 -2.898 18220
4364 1 9 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.967 -1.517 18220
4365 1 9 . 1 1 49 49 GLY H H 40 8.172 8.172 8.027 0.145 18220
4366 1 9 . 1 1 50 50 TYR N N 41 122.409 122.409 124.040 -1.631 18220
4367 1 9 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.992 -0.193 18220
4368 1 9 . 1 1 50 50 TYR C C 41 174.208 174.208 178.302 -4.094 18220
4369 1 9 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.937 -1.692 18220
4370 1 9 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.280 -0.344 18220
4371 1 9 . 1 1 50 50 TYR H H 41 7.800 7.800 8.150 -0.350 18220
4372 1 9 . 1 1 51 51 GLY N N 42 106.935 106.935 105.784 1.151 18220
4373 1 9 . 1 1 51 51 GLY C C 42 172.642 172.642 175.684 -3.042 18220
4374 1 9 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.974 -0.709 18220
4375 1 9 . 1 1 51 51 GLY H H 42 8.199 8.199 8.401 -0.202 18220
4376 1 9 . 1 1 52 52 ALA N N 43 123.018 123.018 125.380 -2.362 18220
4377 1 9 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.006 0.144 18220
4378 1 9 . 1 1 52 52 ALA C C 43 176.398 176.398 179.532 -3.134 18220
4379 1 9 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.637 -1.754 18220
4380 1 9 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.473 -0.232 18220
4381 1 9 . 1 1 52 52 ALA H H 43 7.758 7.758 8.311 -0.553 18220
4382 1 9 . 1 1 53 53 TYR N N 44 119.664 119.664 119.486 0.178 18220
4383 1 9 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.634 -0.316 18220
4384 1 9 . 1 1 53 53 TYR C C 44 174.180 174.180 176.318 -2.138 18220
4385 1 9 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.066 -1.473 18220
4386 1 9 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.724 -0.532 18220
4387 1 9 . 1 1 53 53 TYR H H 44 7.920 7.920 8.023 -0.103 18220
4388 1 9 . 1 1 54 54 ARG N N 45 119.516 119.516 118.978 0.538 18220
4389 1 9 . 1 1 54 54 ARG HA H 45 3.930 3.930 3.730 0.200 18220
4390 1 9 . 1 1 54 54 ARG C C 45 174.423 174.423 178.794 -4.371 18220
4391 1 9 . 1 1 54 54 ARG CA C 45 56.027 56.027 58.367 -2.340 18220
4392 1 9 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.925 -0.752 18220
4393 1 9 . 1 1 54 54 ARG H H 45 7.956 7.956 7.837 0.119 18220
4394 1 9 . 1 1 55 55 VAL N N 46 116.437 116.437 115.874 0.563 18220
4395 1 9 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.773 0.287 18220
4396 1 9 . 1 1 55 55 VAL C C 46 173.806 173.806 175.997 -2.191 18220
4397 1 9 . 1 1 55 55 VAL CA C 46 62.300 62.300 64.752 -2.452 18220
4398 1 9 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.069 -0.548 18220
4399 1 9 . 1 1 55 55 VAL H H 46 7.489 7.489 8.494 -1.005 18220
4400 1 9 . 1 1 56 56 SER N N 47 117.185 117.185 111.863 5.322 18220
4401 1 9 . 1 1 56 56 SER HA H 47 4.401 4.401 4.421 -0.020 18220
4402 1 9 . 1 1 56 56 SER C C 47 172.074 172.074 172.320 -0.246 18220
4403 1 9 . 1 1 56 56 SER CA C 47 58.133 58.133 57.025 1.109 18220
4404 1 9 . 1 1 56 56 SER CB C 47 63.468 63.468 65.213 -1.745 18220
4405 1 9 . 1 1 56 56 SER H H 47 7.728 7.728 7.440 0.288 18220
4406 1 9 . 1 1 57 57 ASN N N 48 121.049 121.049 118.035 3.014 18220
4407 1 9 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.340 0.250 18220
4408 1 9 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.681 -0.081 18220
4409 1 9 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.610 0.031 18220
4410 1 9 . 1 1 57 57 ASN H H 48 8.228 8.228 8.645 -0.417 18220
4411 1 9 . 1 1 58 58 ASP N N 49 120.276 120.276 119.101 1.175 18220
4412 1 9 . 1 1 58 58 ASP HA H 49 4.530 4.530 3.999 0.531 18220
4413 1 9 . 1 1 58 58 ASP CA C 49 54.202 54.202 56.267 -2.065 18220
4414 1 9 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.197 -0.823 18220
4415 1 9 . 1 1 58 58 ASP H H 49 8.192 8.192 8.569 -0.377 18220
4416 1 9 . 1 1 59 59 LYS N N 50 120.660 120.660 115.993 4.667 18220
4417 1 9 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.520 -0.320 18220
4418 1 9 . 1 1 59 59 LYS C C 50 173.474 173.474 174.980 -1.506 18220
4419 1 9 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.875 0.425 18220
4420 1 9 . 1 1 59 59 LYS CB C 50 32.034 32.034 34.056 -2.022 18220
4421 1 9 . 1 1 59 59 LYS H H 50 8.003 8.003 7.561 0.442 18220
4422 1 9 . 1 1 60 60 ARG N N 51 121.278 121.278 120.086 1.192 18220
4423 1 9 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.540 -0.340 18220
4424 1 9 . 1 1 60 60 ARG C C 51 173.303 173.303 175.412 -2.109 18220
4425 1 9 . 1 1 60 60 ARG CA C 51 56.283 56.283 55.497 0.786 18220
4426 1 9 . 1 1 60 60 ARG CB C 51 30.238 30.238 32.412 -2.174 18220
4427 1 9 . 1 1 60 60 ARG H H 51 8.091 8.091 8.483 -0.392 18220
4428 1 9 . 1 1 61 61 ASP N N 52 121.185 121.185 122.481 -1.296 18220
4429 1 9 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.689 -0.074 18220
4430 1 9 . 1 1 61 61 ASP C C 52 173.777 173.777 176.013 -2.236 18220
4431 1 9 . 1 1 61 61 ASP CA C 52 53.979 53.979 53.633 0.346 18220
4432 1 9 . 1 1 61 61 ASP CB C 52 40.245 40.245 40.003 0.242 18220
4433 1 9 . 1 1 61 61 ASP H H 52 8.261 8.261 8.627 -0.366 18220
4434 1 9 . 1 1 62 62 VAL N N 53 121.902 121.902 120.146 1.756 18220
4435 1 9 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.648 0.302 18220
4436 1 9 . 1 1 62 62 VAL C C 53 173.279 173.279 175.626 -2.347 18220
4437 1 9 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.108 0.067 18220
4438 1 9 . 1 1 62 62 VAL CB C 53 32.099 32.099 30.705 1.394 18220
4439 1 9 . 1 1 62 62 VAL H H 53 7.997 7.997 7.953 0.044 18220
4440 1 9 . 1 1 63 63 LYS N N 54 123.522 123.522 122.161 1.361 18220
4441 1 9 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.195 0.065 18220
4442 1 9 . 1 1 63 63 LYS C C 54 174.481 174.481 178.052 -3.571 18220
4443 1 9 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.104 -2.757 18220
4444 1 9 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.657 -0.558 18220
4445 1 9 . 1 1 63 63 LYS H H 54 8.054 8.054 8.252 -0.198 18220
4446 1 9 . 1 1 64 64 VAL N N 55 120.647 120.647 117.988 2.659 18220
4447 1 9 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.689 0.258 18220
4448 1 9 . 1 1 64 64 VAL C C 55 174.955 174.955 177.970 -3.015 18220
4449 1 9 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.819 -1.219 18220
4450 1 9 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.990 0.887 18220
4451 1 9 . 1 1 64 64 VAL H H 55 8.225 8.225 8.052 0.173 18220
4452 1 9 . 1 1 65 65 SER N N 56 117.785 117.785 114.837 2.948 18220
4453 1 9 . 1 1 65 65 SER HA H 56 4.390 4.390 4.219 0.171 18220
4454 1 9 . 1 1 65 65 SER C C 56 172.300 172.300 176.855 -4.555 18220
4455 1 9 . 1 1 65 65 SER CA C 56 60.000 60.000 61.682 -1.682 18220
4456 1 9 . 1 1 65 65 SER CB C 56 62.879 62.879 62.502 0.377 18220
4457 1 9 . 1 1 65 65 SER H H 56 8.260 8.260 8.411 -0.151 18220
4458 1 9 . 1 1 66 66 LEU N N 57 123.318 123.318 122.039 1.279 18220
4459 1 9 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.085 0.005 18220
4460 1 9 . 1 1 66 66 LEU C C 57 175.932 175.932 178.946 -3.014 18220
4461 1 9 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.842 -0.340 18220
4462 1 9 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.953 -0.232 18220
4463 1 9 . 1 1 66 66 LEU H H 57 8.091 8.091 7.824 0.267 18220
4464 1 9 . 1 1 67 67 PHE N N 58 118.020 118.020 119.378 -1.358 18220
4465 1 9 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.301 0.029 18220
4466 1 9 . 1 1 67 67 PHE C C 58 174.912 174.912 177.678 -2.766 18220
4467 1 9 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.203 -0.603 18220
4468 1 9 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.785 -0.233 18220
4469 1 9 . 1 1 67 67 PHE H H 58 8.066 8.066 8.478 -0.412 18220
4470 1 9 . 1 1 68 68 THR N N 59 115.324 115.324 117.330 -2.006 18220
4471 1 9 . 1 1 68 68 THR HA H 59 4.310 4.310 4.006 0.304 18220
4472 1 9 . 1 1 68 68 THR C C 59 173.380 173.380 176.255 -2.875 18220
4473 1 9 . 1 1 68 68 THR CA C 59 66.313 66.313 68.053 -1.740 18220
4474 1 9 . 1 1 68 68 THR CB C 59 67.700 67.700 68.758 -1.058 18220
4475 1 9 . 1 1 68 68 THR H H 59 8.287 8.287 8.292 -0.005 18220
4476 1 9 . 1 1 69 69 ALA N N 60 123.621 123.621 124.683 -1.062 18220
4477 1 9 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.174 0.106 18220
4478 1 9 . 1 1 69 69 ALA C C 60 176.978 176.978 179.224 -2.246 18220
4479 1 9 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.112 -0.012 18220
4480 1 9 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.168 -0.440 18220
4481 1 9 . 1 1 69 69 ALA H H 60 7.983 7.983 8.440 -0.457 18220
4482 1 9 . 1 1 70 70 PHE N N 61 118.520 118.520 119.651 -1.131 18220
4483 1 9 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.091 0.169 18220
4484 1 9 . 1 1 70 70 PHE C C 61 175.369 175.369 176.990 -1.621 18220
4485 1 9 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.374 -2.195 18220
4486 1 9 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.363 -0.657 18220
4487 1 9 . 1 1 70 70 PHE H H 61 8.007 8.007 8.430 -0.423 18220
4488 1 9 . 1 1 71 71 PHE N N 62 122.314 122.314 119.671 2.643 18220
4489 1 9 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.083 -0.083 18220
4490 1 9 . 1 1 71 71 PHE C C 62 174.697 174.697 177.608 -2.911 18220
4491 1 9 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.039 -1.522 18220
4492 1 9 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.940 -0.170 18220
4493 1 9 . 1 1 71 71 PHE H H 62 8.546 8.546 8.240 0.306 18220
4494 1 9 . 1 1 72 72 LEU N N 63 119.399 119.399 120.340 -0.941 18220
4495 1 9 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.772 0.098 18220
4496 1 9 . 1 1 72 72 LEU C C 63 175.774 175.774 178.299 -2.525 18220
4497 1 9 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.343 -1.418 18220
4498 1 9 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.930 -0.723 18220
4499 1 9 . 1 1 72 72 LEU H H 63 8.396 8.396 8.540 -0.144 18220
4500 1 9 . 1 1 73 73 ALA N N 64 120.221 120.221 120.609 -0.388 18220
4501 1 9 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.782 0.178 18220
4502 1 9 . 1 1 73 73 ALA C C 64 177.267 177.267 179.451 -2.184 18220
4503 1 9 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.366 -0.766 18220
4504 1 9 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.868 -0.084 18220
4505 1 9 . 1 1 73 73 ALA H H 64 8.025 8.025 8.314 -0.289 18220
4506 1 9 . 1 1 74 74 THR N N 65 113.648 113.648 113.046 0.602 18220
4507 1 9 . 1 1 74 74 THR HA H 65 3.980 3.980 3.888 0.092 18220
4508 1 9 . 1 1 74 74 THR CA C 65 66.291 66.291 66.094 0.197 18220
4509 1 9 . 1 1 74 74 THR CB C 65 67.914 67.914 68.838 -0.924 18220
4510 1 9 . 1 1 74 74 THR H H 65 7.717 7.717 8.020 -0.303 18220
4511 1 9 . 1 1 75 75 ILE N N 66 120.291 120.291 119.649 0.642 18220
4512 1 9 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.638 0.102 18220
4513 1 9 . 1 1 75 75 ILE C C 66 174.951 174.951 176.783 -1.832 18220
4514 1 9 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.645 1.235 18220
4515 1 9 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.133 -0.967 18220
4516 1 9 . 1 1 75 75 ILE H H 66 7.738 7.738 7.651 0.087 18220
4517 1 9 . 1 1 76 76 MET N N 67 117.618 117.618 118.455 -0.837 18220
4518 1 9 . 1 1 76 76 MET HA H 67 4.220 4.220 4.468 -0.248 18220
4519 1 9 . 1 1 76 76 MET C C 67 175.142 175.142 176.832 -1.690 18220
4520 1 9 . 1 1 76 76 MET CA C 67 56.723 56.723 56.301 0.422 18220
4521 1 9 . 1 1 76 76 MET CB C 67 31.951 31.951 33.961 -2.010 18220
4522 1 9 . 1 1 76 76 MET H H 67 7.823 7.823 7.925 -0.102 18220
4523 1 9 . 1 1 77 77 GLY N N 68 107.110 107.110 107.723 -0.613 18220
4524 1 9 . 1 1 77 77 GLY C C 68 172.260 172.260 174.053 -1.793 18220
4525 1 9 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.624 1.176 18220
4526 1 9 . 1 1 77 77 GLY H H 68 7.937 7.937 8.367 -0.430 18220
4527 1 9 . 1 1 78 78 VAL N N 69 120.431 120.431 115.396 5.035 18220
4528 1 9 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.590 0.630 18220
4529 1 9 . 1 1 78 78 VAL CA C 69 63.900 63.900 63.605 0.295 18220
4530 1 9 . 1 1 78 78 VAL CB C 69 31.506 31.506 30.484 1.022 18220
4531 1 9 . 1 1 78 78 VAL H H 69 7.697 7.697 8.265 -0.568 18220
4532 1 9 . 1 1 79 79 ARG N N 70 121.420 121.420 121.856 -0.436 18220
4533 1 9 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.512 -0.702 18220
4534 1 9 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.178 1.222 18220
4535 1 9 . 1 1 79 79 ARG CB C 70 30.097 30.097 32.096 -1.998 18220
4536 1 9 . 1 1 79 79 ARG H H 70 7.889 7.889 7.685 0.204 18220
4537 1 9 . 1 1 80 80 PHE N N 71 119.949 119.949 117.135 2.814 18220
4538 1 9 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.189 0.321 18220
4539 1 9 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.744 -0.144 18220
4540 1 9 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.252 -0.107 18220
4541 1 9 . 1 1 80 80 PHE H H 71 8.101 8.101 8.267 -0.166 18220
4542 1 9 . 1 1 81 81 LYS N N 72 122.193 122.193 121.789 0.404 18220
4543 1 9 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.974 0.826 18220
4544 1 9 . 1 1 81 81 LYS CB C 72 32.322 32.322 31.928 0.394 18220
4545 1 9 . 1 1 81 81 LYS H H 72 8.090 8.090 7.042 1.048 18220
4546 1 9 . 1 1 82 82 ARG N N 73 119.650 119.650 119.885 -0.235 18220
4547 1 9 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.322 -0.233 18220
4548 1 9 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.415 -1.244 18220
4549 1 9 . 1 1 82 82 ARG H H 73 8.052 8.052 8.159 -0.107 18220
4550 1 9 . 1 1 83 83 SER N N 74 115.734 115.734 115.384 0.350 18220
4551 1 9 . 1 1 83 83 SER CA C 74 58.355 58.355 57.569 0.786 18220
4552 1 9 . 1 1 83 83 SER CB C 74 63.404 63.404 64.766 -1.362 18220
4553 1 9 . 1 1 83 83 SER H H 74 7.912 7.912 8.375 -0.463 18220
4554 1 9 . 1 1 84 84 LYS N N 75 122.370 122.370 125.087 -2.717 18220
4555 1 9 . 1 1 84 84 LYS CA C 75 56.135 56.135 58.822 -2.687 18220
4556 1 9 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.003 -0.828 18220
4557 1 9 . 1 1 84 84 LYS H H 75 8.067 8.067 8.673 -0.606 18220
4558 1 9 . 1 1 86 86 ILE N N 77 119.592 119.592 119.306 0.286 18220
4559 1 9 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.833 -0.023 18220
4560 1 9 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.571 3.329 18220
4561 1 9 . 1 1 86 86 ILE CB C 77 39.145 39.145 37.850 1.295 18220
4562 1 9 . 1 1 86 86 ILE H H 77 7.837 7.837 8.163 -0.326 18220
4563 1 9 . 1 1 87 87 MET N N 78 121.645 121.645 124.649 -3.004 18220
4564 1 9 . 1 1 87 87 MET CA C 78 52.982 52.982 55.191 -2.209 18220
4565 1 9 . 1 1 87 87 MET CB C 78 32.173 32.173 32.780 -0.607 18220
4566 1 9 . 1 1 87 87 MET H H 78 7.950 7.950 8.239 -0.289 18220
4567 1 9 . 1 1 88 88 PRO HA H 79 4.140 4.140 3.716 0.424 18220
4568 1 9 . 1 1 88 88 PRO C C 79 173.921 173.921 175.789 -1.868 18220
4569 1 9 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.276 0.524 18220
4570 1 9 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.323 -0.188 18220
4571 1 9 . 1 1 89 89 ALA N N 80 124.431 124.431 128.461 -4.030 18220
4572 1 9 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.928 0.472 18220
4573 1 9 . 1 1 89 89 ALA C C 80 176.234 176.234 179.247 -3.013 18220
4574 1 9 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.058 -1.758 18220
4575 1 9 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.383 0.115 18220
4576 1 9 . 1 1 89 89 ALA H H 80 8.320 8.320 8.045 0.275 18220
4577 1 9 . 1 1 90 90 GLY N N 81 106.834 106.834 107.818 -0.984 18220
4578 1 9 . 1 1 90 90 GLY C C 81 172.398 172.398 176.276 -3.878 18220
4579 1 9 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.229 -1.629 18220
4580 1 9 . 1 1 90 90 GLY H H 81 8.458 8.458 8.328 0.130 18220
4581 1 9 . 1 1 91 91 LEU N N 82 121.043 121.043 122.553 -1.510 18220
4582 1 9 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.089 0.111 18220
4583 1 9 . 1 1 91 91 LEU C C 82 174.783 174.783 178.862 -4.079 18220
4584 1 9 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.790 -1.490 18220
4585 1 9 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.410 0.696 18220
4586 1 9 . 1 1 91 91 LEU H H 82 7.687 7.687 8.025 -0.338 18220
4587 1 9 . 1 1 92 92 VAL N N 83 114.737 114.737 118.143 -3.406 18220
4588 1 9 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.565 0.415 18220
4589 1 9 . 1 1 92 92 VAL C C 83 173.634 173.634 177.865 -4.231 18220
4590 1 9 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.053 -3.653 18220
4591 1 9 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.691 0.894 18220
4592 1 9 . 1 1 92 92 VAL H H 83 7.602 7.602 7.881 -0.279 18220
4593 1 9 . 1 1 93 93 ALA N N 84 124.320 124.320 121.698 2.622 18220
4594 1 9 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.152 -0.002 18220
4595 1 9 . 1 1 93 93 ALA C C 84 175.746 175.746 179.812 -4.066 18220
4596 1 9 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.167 -1.867 18220
4597 1 9 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.178 0.062 18220
4598 1 9 . 1 1 93 93 ALA H H 84 7.891 7.891 8.203 -0.312 18220
4599 1 9 . 1 1 94 94 GLY N N 85 106.807 106.807 108.512 -1.705 18220
4600 1 9 . 1 1 94 94 GLY C C 85 171.752 171.752 175.960 -4.208 18220
4601 1 9 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.804 -1.555 18220
4602 1 9 . 1 1 94 94 GLY H H 85 8.204 8.204 8.087 0.117 18220
4603 1 9 . 1 1 95 95 LEU N N 86 121.266 121.266 123.206 -1.940 18220
4604 1 9 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.070 0.310 18220
4605 1 9 . 1 1 95 95 LEU C C 86 173.702 173.702 178.790 -5.088 18220
4606 1 9 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.807 -2.807 18220
4607 1 9 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.224 1.073 18220
4608 1 9 . 1 1 95 95 LEU H H 86 7.718 7.718 8.544 -0.826 18220
4609 1 9 . 1 1 96 96 SER N N 87 115.658 115.658 115.242 0.416 18220
4610 1 9 . 1 1 96 96 SER HA H 87 4.370 4.370 4.125 0.245 18220
4611 1 9 . 1 1 96 96 SER C C 87 172.479 172.479 176.535 -4.056 18220
4612 1 9 . 1 1 96 96 SER CA C 87 57.200 57.200 61.966 -4.766 18220
4613 1 9 . 1 1 96 96 SER CB C 87 64.174 64.174 63.065 1.109 18220
4614 1 9 . 1 1 96 96 SER H H 87 7.659 7.659 8.045 -0.386 18220
4615 1 9 . 1 1 97 97 LEU N N 88 123.720 123.720 123.290 0.430 18220
4616 1 9 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.918 0.682 18220
4617 1 9 . 1 1 97 97 LEU C C 88 175.932 175.932 178.518 -2.586 18220
4618 1 9 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.258 -0.658 18220
4619 1 9 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.955 -0.554 18220
4620 1 9 . 1 1 97 97 LEU H H 88 8.733 8.733 7.969 0.764 18220
4621 1 9 . 1 1 98 98 MET N N 89 116.684 116.684 117.777 -1.093 18220
4622 1 9 . 1 1 98 98 MET HA H 89 4.280 4.280 3.994 0.286 18220
4623 1 9 . 1 1 98 98 MET C C 89 175.789 175.789 178.619 -2.830 18220
4624 1 9 . 1 1 98 98 MET CA C 89 56.915 56.915 58.903 -1.988 18220
4625 1 9 . 1 1 98 98 MET CB C 89 31.007 31.007 32.145 -1.138 18220
4626 1 9 . 1 1 98 98 MET H H 89 8.342 8.342 8.159 0.183 18220
4627 1 9 . 1 1 99 99 MET N N 90 119.182 119.182 120.104 -0.922 18220
4628 1 9 . 1 1 99 99 MET HA H 90 4.110 4.110 4.035 0.075 18220
4629 1 9 . 1 1 99 99 MET C C 90 175.588 175.588 178.698 -3.110 18220
4630 1 9 . 1 1 99 99 MET CA C 90 57.951 57.951 59.214 -1.262 18220
4631 1 9 . 1 1 99 99 MET CB C 90 32.226 32.226 32.540 -0.314 18220
4632 1 9 . 1 1 99 99 MET H H 90 7.720 7.720 8.066 -0.346 18220
4633 1 9 . 1 1 100 100 ILE N N 91 119.077 119.077 119.971 -0.894 18220
4634 1 9 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.652 0.458 18220
4635 1 9 . 1 1 100 100 ILE C C 91 174.634 174.634 178.296 -3.662 18220
4636 1 9 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.042 -0.942 18220
4637 1 9 . 1 1 100 100 ILE CB C 91 37.143 37.143 36.937 0.206 18220
4638 1 9 . 1 1 100 100 ILE H H 91 7.662 7.662 8.595 -0.933 18220
4639 1 9 . 1 1 101 101 LEU N N 92 119.646 119.646 118.917 0.729 18220
4640 1 9 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.971 0.559 18220
4641 1 9 . 1 1 101 101 LEU C C 92 175.430 175.430 179.730 -4.300 18220
4642 1 9 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.790 0.010 18220
4643 1 9 . 1 1 101 101 LEU CB C 92 40.758 40.758 40.699 0.059 18220
4644 1 9 . 1 1 101 101 LEU H H 92 8.142 8.142 8.242 -0.100 18220
4645 1 9 . 1 1 102 102 ARG N N 93 116.394 116.394 118.925 -2.531 18220
4646 1 9 . 1 1 102 102 ARG HA H 93 4.140 4.140 3.996 0.144 18220
4647 1 9 . 1 1 102 102 ARG C C 93 175.961 175.961 178.192 -2.231 18220
4648 1 9 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.689 0.411 18220
4649 1 9 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.935 -0.531 18220
4650 1 9 . 1 1 102 102 ARG H H 93 7.893 7.893 8.030 -0.137 18220
4651 1 9 . 1 1 103 103 LEU N N 94 119.114 119.114 120.803 -1.689 18220
4652 1 9 . 1 1 103 103 LEU HA H 94 4.110 4.110 3.990 0.120 18220
4653 1 9 . 1 1 103 103 LEU C C 94 175.889 175.889 178.917 -3.028 18220
4654 1 9 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.564 -1.264 18220
4655 1 9 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.777 -0.481 18220
4656 1 9 . 1 1 103 103 LEU H H 94 7.622 7.622 8.037 -0.415 18220
4657 1 9 . 1 1 104 104 VAL N N 95 117.704 117.704 116.186 1.518 18220
4658 1 9 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.601 -0.071 18220
4659 1 9 . 1 1 104 104 VAL C C 95 175.042 175.042 178.010 -2.968 18220
4660 1 9 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.684 0.735 18220
4661 1 9 . 1 1 104 104 VAL CB C 95 31.357 31.357 30.612 0.745 18220
4662 1 9 . 1 1 104 104 VAL H H 95 8.026 8.026 7.573 0.453 18220
4663 1 9 . 1 1 105 105 LEU N N 96 117.185 117.185 120.636 -3.451 18220
4664 1 9 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.966 0.014 18220
4665 1 9 . 1 1 105 105 LEU C C 96 176.579 176.579 179.042 -2.463 18220
4666 1 9 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.889 -1.089 18220
4667 1 9 . 1 1 105 105 LEU CB C 96 40.951 40.951 40.816 0.135 18220
4668 1 9 . 1 1 105 105 LEU H H 96 7.893 7.893 7.565 0.328 18220
4669 1 9 . 1 1 106 106 LEU N N 97 118.471 118.471 119.857 -1.386 18220
4670 1 9 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.987 0.193 18220
4671 1 9 . 1 1 106 106 LEU C C 97 175.802 175.802 178.487 -2.685 18220
4672 1 9 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.513 -1.213 18220
4673 1 9 . 1 1 106 106 LEU CB C 97 41.592 41.592 42.019 -0.427 18220
4674 1 9 . 1 1 106 106 LEU H H 97 7.545 7.545 7.720 -0.175 18220
4675 1 9 . 1 1 107 107 LEU N N 98 118.162 118.162 119.063 -0.901 18220
4676 1 9 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.087 0.143 18220
4677 1 9 . 1 1 107 107 LEU C C 98 174.174 174.174 177.786 -3.612 18220
4678 1 9 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.916 -0.632 18220
4679 1 9 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.450 -0.089 18220
4680 1 9 . 1 1 107 107 LEU H H 98 7.688 7.688 7.818 -0.130 18220
4681 1 10 . 1 1 11 11 ASP N N 2 120.536 120.536 122.861 -2.325 18220
4682 1 10 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.439 2.479 18220
4683 1 10 . 1 1 11 11 ASP CB C 2 37.959 37.959 42.821 -4.862 18220
4684 1 10 . 1 1 11 11 ASP H H 2 7.863 7.863 8.802 -0.939 18220
4685 1 10 . 1 1 12 12 LEU N N 3 121.414 121.414 121.027 0.387 18220
4686 1 10 . 1 1 12 12 LEU C C 3 176.162 176.162 175.962 0.200 18220
4687 1 10 . 1 1 12 12 LEU CA C 3 57.600 57.600 53.939 3.661 18220
4688 1 10 . 1 1 12 12 LEU CB C 3 41.657 41.657 44.010 -2.353 18220
4689 1 10 . 1 1 12 12 LEU H H 3 8.285 8.285 8.712 -0.427 18220
4690 1 10 . 1 1 13 13 ILE N N 4 118.854 118.854 120.129 -1.275 18220
4691 1 10 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.255 -0.515 18220
4692 1 10 . 1 1 13 13 ILE C C 4 175.228 175.228 175.485 -0.257 18220
4693 1 10 . 1 1 13 13 ILE CA C 4 64.500 64.500 60.788 3.712 18220
4694 1 10 . 1 1 13 13 ILE CB C 4 37.102 37.102 40.569 -3.467 18220
4695 1 10 . 1 1 13 13 ILE H H 4 8.031 8.031 8.209 -0.178 18220
4696 1 10 . 1 1 14 14 GLY N N 5 107.478 107.478 111.961 -4.483 18220
4697 1 10 . 1 1 14 14 GLY C C 5 174.424 174.424 175.024 -0.600 18220
4698 1 10 . 1 1 14 14 GLY CA C 5 47.059 47.059 44.682 2.377 18220
4699 1 10 . 1 1 14 14 GLY H H 5 8.148 8.148 8.324 -0.176 18220
4700 1 10 . 1 1 15 15 PHE N N 6 122.774 122.774 121.232 1.542 18220
4701 1 10 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.386 0.094 18220
4702 1 10 . 1 1 15 15 PHE C C 6 175.113 175.113 177.461 -2.348 18220
4703 1 10 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.806 0.211 18220
4704 1 10 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.248 -0.474 18220
4705 1 10 . 1 1 15 15 PHE H H 6 8.194 8.194 8.715 -0.521 18220
4706 1 10 . 1 1 16 16 GLY N N 7 107.938 107.938 107.640 0.298 18220
4707 1 10 . 1 1 16 16 GLY C C 7 171.838 171.838 175.889 -4.051 18220
4708 1 10 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.557 -0.457 18220
4709 1 10 . 1 1 16 16 GLY H H 7 8.697 8.697 8.593 0.104 18220
4710 1 10 . 1 1 17 17 TYR N N 8 121.785 121.785 122.425 -0.640 18220
4711 1 10 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.094 0.056 18220
4712 1 10 . 1 1 17 17 TYR C C 8 174.180 174.180 177.876 -3.696 18220
4713 1 10 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.336 -0.036 18220
4714 1 10 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.090 -0.132 18220
4715 1 10 . 1 1 17 17 TYR H H 8 8.710 8.710 8.342 0.368 18220
4716 1 10 . 1 1 18 18 ALA N N 9 120.233 120.233 120.457 -0.224 18220
4717 1 10 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.875 0.075 18220
4718 1 10 . 1 1 18 18 ALA C C 9 178.059 178.059 178.659 -0.600 18220
4719 1 10 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.913 -0.041 18220
4720 1 10 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.714 -0.152 18220
4721 1 10 . 1 1 18 18 ALA H H 9 7.843 7.843 8.218 -0.375 18220
4722 1 10 . 1 1 19 19 ALA N N 10 121.797 121.797 120.632 1.165 18220
4723 1 10 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.005 -0.055 18220
4724 1 10 . 1 1 19 19 ALA C C 10 176.191 176.191 179.696 -3.505 18220
4725 1 10 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.406 0.194 18220
4726 1 10 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.010 -0.448 18220
4727 1 10 . 1 1 19 19 ALA H H 10 8.212 8.212 7.553 0.659 18220
4728 1 10 . 1 1 20 20 LEU N N 11 119.442 119.442 120.704 -1.262 18220
4729 1 10 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.958 -0.021 18220
4730 1 10 . 1 1 20 20 LEU C C 11 176.694 176.694 178.697 -2.003 18220
4731 1 10 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.465 -0.665 18220
4732 1 10 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.213 -0.991 18220
4733 1 10 . 1 1 20 20 LEU H H 11 8.065 8.065 7.866 0.199 18220
4734 1 10 . 1 1 21 21 VAL N N 12 118.323 118.323 115.831 2.492 18220
4735 1 10 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.506 0.134 18220
4736 1 10 . 1 1 21 21 VAL C C 12 176.536 176.536 177.559 -1.023 18220
4737 1 10 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.928 -1.528 18220
4738 1 10 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.310 -0.175 18220
4739 1 10 . 1 1 21 21 VAL H H 12 8.051 8.051 8.172 -0.121 18220
4740 1 10 . 1 1 22 22 THR N N 13 118.298 118.298 117.408 0.890 18220
4741 1 10 . 1 1 22 22 THR HA H 13 4.660 4.660 3.842 0.818 18220
4742 1 10 . 1 1 22 22 THR C C 13 173.734 173.734 176.407 -2.673 18220
4743 1 10 . 1 1 22 22 THR CA C 13 66.300 66.300 66.877 -0.577 18220
4744 1 10 . 1 1 22 22 THR CB C 13 67.775 67.775 68.682 -0.907 18220
4745 1 10 . 1 1 22 22 THR H H 13 7.944 7.944 7.804 0.140 18220
4746 1 10 . 1 1 23 23 PHE N N 14 121.328 121.328 121.585 -0.257 18220
4747 1 10 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.083 0.257 18220
4748 1 10 . 1 1 23 23 PHE C C 14 174.783 174.783 177.756 -2.973 18220
4749 1 10 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.274 -0.774 18220
4750 1 10 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.687 -0.061 18220
4751 1 10 . 1 1 23 23 PHE H H 14 8.567 8.567 8.175 0.392 18220
4752 1 10 . 1 1 24 24 GLY N N 15 106.871 106.871 106.843 0.028 18220
4753 1 10 . 1 1 24 24 GLY C C 15 172.858 172.858 176.148 -3.290 18220
4754 1 10 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.112 -0.212 18220
4755 1 10 . 1 1 24 24 GLY H H 15 8.475 8.475 8.560 -0.085 18220
4756 1 10 . 1 1 25 25 SER N N 16 116.214 116.214 117.972 -1.758 18220
4757 1 10 . 1 1 25 25 SER HA H 16 4.280 4.280 4.162 0.118 18220
4758 1 10 . 1 1 25 25 SER CA C 16 60.300 60.300 61.579 -1.279 18220
4759 1 10 . 1 1 25 25 SER CB C 16 62.879 62.879 62.992 -0.112 18220
4760 1 10 . 1 1 25 25 SER H H 16 7.963 7.963 8.010 -0.047 18220
4761 1 10 . 1 1 26 26 ILE N N 17 121.024 121.024 120.600 0.424 18220
4762 1 10 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.693 0.253 18220
4763 1 10 . 1 1 26 26 ILE C C 17 173.935 173.935 178.887 -4.952 18220
4764 1 10 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.173 -2.073 18220
4765 1 10 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.271 0.836 18220
4766 1 10 . 1 1 26 26 ILE H H 17 7.676 7.676 8.661 -0.985 18220
4767 1 10 . 1 1 27 27 PHE N N 18 117.142 117.142 118.942 -1.800 18220
4768 1 10 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.115 0.315 18220
4769 1 10 . 1 1 27 27 PHE C C 18 173.504 173.504 177.672 -4.168 18220
4770 1 10 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.861 -2.361 18220
4771 1 10 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.139 0.635 18220
4772 1 10 . 1 1 27 27 PHE H H 18 7.703 7.703 8.293 -0.590 18220
4773 1 10 . 1 1 28 28 GLY N N 19 107.303 107.303 105.050 2.253 18220
4774 1 10 . 1 1 28 28 GLY C C 19 171.593 171.593 174.129 -2.536 18220
4775 1 10 . 1 1 28 28 GLY CA C 19 45.600 45.600 46.401 -0.801 18220
4776 1 10 . 1 1 28 28 GLY H H 19 7.722 7.722 7.617 0.105 18220
4777 1 10 . 1 1 29 29 TYR N N 20 119.862 119.862 118.542 1.320 18220
4778 1 10 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.372 0.020 18220
4779 1 10 . 1 1 29 29 TYR C C 20 173.174 173.174 174.060 -0.886 18220
4780 1 10 . 1 1 29 29 TYR CA C 20 58.500 58.500 59.397 -0.897 18220
4781 1 10 . 1 1 29 29 TYR CB C 20 38.404 38.404 40.193 -1.789 18220
4782 1 10 . 1 1 29 29 TYR H H 20 7.880 7.880 8.018 -0.138 18220
4783 1 10 . 1 1 30 30 LYS N N 21 122.335 122.335 116.573 5.762 18220
4784 1 10 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.621 -0.231 18220
4785 1 10 . 1 1 30 30 LYS C C 21 173.547 173.547 174.267 -0.720 18220
4786 1 10 . 1 1 30 30 LYS CA C 21 55.800 55.800 55.740 0.059 18220
4787 1 10 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.817 -1.421 18220
4788 1 10 . 1 1 30 30 LYS H H 21 7.934 7.934 7.791 0.143 18220
4789 1 10 . 1 1 31 31 ARG N N 22 120.612 120.612 119.948 0.664 18220
4790 1 10 . 1 1 31 31 ARG C C 22 173.547 173.547 175.535 -1.988 18220
4791 1 10 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.675 -0.841 18220
4792 1 10 . 1 1 31 31 ARG CB C 22 30.101 30.101 31.923 -1.822 18220
4793 1 10 . 1 1 31 31 ARG H H 22 7.905 7.905 8.687 -0.782 18220
4794 1 10 . 1 1 32 32 ARG N N 23 121.748 121.748 119.559 2.189 18220
4795 1 10 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.295 0.015 18220
4796 1 10 . 1 1 32 32 ARG C C 23 173.863 173.863 175.379 -1.516 18220
4797 1 10 . 1 1 32 32 ARG CA C 23 55.800 55.800 55.961 -0.161 18220
4798 1 10 . 1 1 32 32 ARG CB C 23 30.245 30.245 31.284 -1.038 18220
4799 1 10 . 1 1 32 32 ARG H H 23 8.175 8.175 8.262 -0.087 18220
4800 1 10 . 1 1 33 33 GLY N N 24 109.528 109.528 112.543 -3.015 18220
4801 1 10 . 1 1 33 33 GLY C C 24 171.752 171.752 173.762 -2.010 18220
4802 1 10 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.249 -0.349 18220
4803 1 10 . 1 1 33 33 GLY H H 24 8.264 8.264 8.448 -0.184 18220
4804 1 10 . 1 1 34 34 GLY N N 25 108.563 108.563 107.689 0.874 18220
4805 1 10 . 1 1 34 34 GLY C C 25 171.701 171.701 173.699 -1.998 18220
4806 1 10 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.451 0.149 18220
4807 1 10 . 1 1 34 34 GLY H H 25 8.208 8.208 8.256 -0.048 18220
4808 1 10 . 1 1 35 35 VAL N N 26 121.164 121.164 118.755 2.409 18220
4809 1 10 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.896 0.114 18220
4810 1 10 . 1 1 35 35 VAL C C 26 175.888 175.888 173.802 2.086 18220
4811 1 10 . 1 1 35 35 VAL CA C 26 63.900 63.900 61.910 1.990 18220
4812 1 10 . 1 1 35 35 VAL CB C 26 30.690 30.690 32.005 -1.315 18220
4813 1 10 . 1 1 35 35 VAL H H 26 8.485 8.485 7.953 0.532 18220
4814 1 10 . 1 1 36 36 PRO C C 27 177.660 177.660 177.280 0.380 18220
4815 1 10 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.137 -1.290 18220
4816 1 10 . 1 1 37 37 SER N N 28 116.023 116.023 111.967 4.056 18220
4817 1 10 . 1 1 37 37 SER HA H 28 4.280 4.280 4.062 0.218 18220
4818 1 10 . 1 1 37 37 SER CA C 28 61.100 61.100 61.127 -0.027 18220
4819 1 10 . 1 1 37 37 SER H H 28 7.948 7.948 8.577 -0.629 18220
4820 1 10 . 1 1 38 38 LEU N N 29 124.029 124.029 123.117 0.912 18220
4821 1 10 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.974 0.196 18220
4822 1 10 . 1 1 38 38 LEU C C 29 176.132 176.132 178.490 -2.358 18220
4823 1 10 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.364 -0.864 18220
4824 1 10 . 1 1 38 38 LEU CB C 29 42.038 42.038 42.103 -0.065 18220
4825 1 10 . 1 1 38 38 LEU H H 29 8.201 8.201 8.463 -0.262 18220
4826 1 10 . 1 1 39 39 ILE N N 30 117.098 117.098 115.428 1.670 18220
4827 1 10 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.605 0.765 18220
4828 1 10 . 1 1 39 39 ILE C C 30 176.478 176.478 177.439 -0.961 18220
4829 1 10 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.860 -1.781 18220
4830 1 10 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.746 0.227 18220
4831 1 10 . 1 1 39 39 ILE H H 30 7.662 7.662 7.790 -0.128 18220
4832 1 10 . 1 1 40 40 ALA N N 31 122.447 122.447 122.870 -0.423 18220
4833 1 10 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.153 -0.119 18220
4834 1 10 . 1 1 40 40 ALA C C 31 177.067 177.067 179.912 -2.845 18220
4835 1 10 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.240 0.722 18220
4836 1 10 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.864 -0.008 18220
4837 1 10 . 1 1 40 40 ALA H H 31 8.096 8.096 8.131 -0.035 18220
4838 1 10 . 1 1 41 41 GLY N N 32 104.056 104.056 106.728 -2.672 18220
4839 1 10 . 1 1 41 41 GLY C C 32 174.251 174.251 176.172 -1.921 18220
4840 1 10 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.770 -0.270 18220
4841 1 10 . 1 1 41 41 GLY H H 32 8.123 8.123 8.175 -0.052 18220
4842 1 10 . 1 1 42 42 LEU N N 33 123.250 123.250 123.348 -0.098 18220
4843 1 10 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.055 -0.198 18220
4844 1 10 . 1 1 42 42 LEU C C 33 176.033 176.033 178.632 -2.599 18220
4845 1 10 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.361 -1.693 18220
4846 1 10 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.069 -0.347 18220
4847 1 10 . 1 1 42 42 LEU H H 33 7.914 7.914 7.997 -0.083 18220
4848 1 10 . 1 1 43 43 PHE N N 34 119.757 119.757 118.821 0.936 18220
4849 1 10 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.028 0.172 18220
4850 1 10 . 1 1 43 43 PHE C C 34 174.374 174.374 177.978 -3.604 18220
4851 1 10 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.724 -2.848 18220
4852 1 10 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.407 0.427 18220
4853 1 10 . 1 1 43 43 PHE H H 34 8.287 8.287 8.475 -0.188 18220
4854 1 10 . 1 1 44 44 VAL N N 35 117.791 117.791 118.646 -0.855 18220
4855 1 10 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.604 0.006 18220
4856 1 10 . 1 1 44 44 VAL C C 35 176.205 176.205 178.350 -2.145 18220
4857 1 10 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.705 -3.146 18220
4858 1 10 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.269 0.163 18220
4859 1 10 . 1 1 44 44 VAL H H 35 8.235 8.235 8.454 -0.219 18220
4860 1 10 . 1 1 45 45 GLY N N 36 108.551 108.551 107.351 1.200 18220
4861 1 10 . 1 1 45 45 GLY C C 36 173.749 173.749 175.960 -2.211 18220
4862 1 10 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.544 -1.461 18220
4863 1 10 . 1 1 45 45 GLY H H 36 8.178 8.178 8.273 -0.095 18220
4864 1 10 . 1 1 46 46 CYS N N 37 121.173 121.173 121.131 0.042 18220
4865 1 10 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.055 0.125 18220
4866 1 10 . 1 1 46 46 CYS C C 37 173.710 173.710 176.756 -3.046 18220
4867 1 10 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.642 -1.642 18220
4868 1 10 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.545 32.738 18220
4869 1 10 . 1 1 46 46 CYS H H 37 8.253 8.253 8.264 -0.011 18220
4870 1 10 . 1 1 47 47 LEU N N 38 120.283 120.283 120.036 0.247 18220
4871 1 10 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.845 0.215 18220
4872 1 10 . 1 1 47 47 LEU C C 38 176.679 176.679 179.337 -2.658 18220
4873 1 10 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.015 -1.988 18220
4874 1 10 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.066 0.398 18220
4875 1 10 . 1 1 47 47 LEU H H 38 7.965 7.965 8.319 -0.354 18220
4876 1 10 . 1 1 48 48 ALA N N 39 122.249 122.249 120.945 1.304 18220
4877 1 10 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.056 0.086 18220
4878 1 10 . 1 1 48 48 ALA C C 39 177.915 177.915 179.673 -1.758 18220
4879 1 10 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.356 -1.639 18220
4880 1 10 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.220 -0.235 18220
4881 1 10 . 1 1 48 48 ALA H H 39 8.066 8.066 8.362 -0.296 18220
4882 1 10 . 1 1 49 49 GLY N N 40 107.377 107.377 107.447 -0.070 18220
4883 1 10 . 1 1 49 49 GLY C C 40 172.527 172.527 176.112 -3.585 18220
4884 1 10 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.232 -1.782 18220
4885 1 10 . 1 1 49 49 GLY H H 40 8.172 8.172 8.176 -0.004 18220
4886 1 10 . 1 1 50 50 TYR N N 41 122.409 122.409 123.069 -0.660 18220
4887 1 10 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.960 -0.161 18220
4888 1 10 . 1 1 50 50 TYR C C 41 174.208 174.208 178.546 -4.338 18220
4889 1 10 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.591 -1.346 18220
4890 1 10 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.048 -0.112 18220
4891 1 10 . 1 1 50 50 TYR H H 41 7.800 7.800 8.605 -0.805 18220
4892 1 10 . 1 1 51 51 GLY N N 42 106.935 106.935 105.724 1.211 18220
4893 1 10 . 1 1 51 51 GLY C C 42 172.642 172.642 175.761 -3.119 18220
4894 1 10 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.883 -0.618 18220
4895 1 10 . 1 1 51 51 GLY H H 42 8.199 8.199 8.242 -0.043 18220
4896 1 10 . 1 1 52 52 ALA N N 43 123.018 123.018 124.117 -1.099 18220
4897 1 10 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.101 0.049 18220
4898 1 10 . 1 1 52 52 ALA C C 43 176.398 176.398 179.692 -3.294 18220
4899 1 10 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.600 -1.717 18220
4900 1 10 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.470 -0.229 18220
4901 1 10 . 1 1 52 52 ALA H H 43 7.758 7.758 8.216 -0.458 18220
4902 1 10 . 1 1 53 53 TYR N N 44 119.664 119.664 117.500 2.164 18220
4903 1 10 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.352 -0.034 18220
4904 1 10 . 1 1 53 53 TYR C C 44 174.180 174.180 177.874 -3.694 18220
4905 1 10 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.298 -1.705 18220
4906 1 10 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.597 -0.405 18220
4907 1 10 . 1 1 53 53 TYR H H 44 7.920 7.920 8.115 -0.195 18220
4908 1 10 . 1 1 54 54 ARG N N 45 119.516 119.516 118.977 0.539 18220
4909 1 10 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.158 -0.228 18220
4910 1 10 . 1 1 54 54 ARG C C 45 174.423 174.423 176.785 -2.362 18220
4911 1 10 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.928 -1.901 18220
4912 1 10 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.676 -0.503 18220
4913 1 10 . 1 1 54 54 ARG H H 45 7.956 7.956 7.853 0.103 18220
4914 1 10 . 1 1 55 55 VAL N N 46 116.437 116.437 117.281 -0.844 18220
4915 1 10 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.780 0.280 18220
4916 1 10 . 1 1 55 55 VAL C C 46 173.806 173.806 175.736 -1.930 18220
4917 1 10 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.683 -1.383 18220
4918 1 10 . 1 1 55 55 VAL CB C 46 31.521 31.521 29.777 1.744 18220
4919 1 10 . 1 1 55 55 VAL H H 46 7.489 7.489 7.891 -0.402 18220
4920 1 10 . 1 1 56 56 SER N N 47 117.185 117.185 115.942 1.243 18220
4921 1 10 . 1 1 56 56 SER HA H 47 4.401 4.401 4.424 -0.023 18220
4922 1 10 . 1 1 56 56 SER C C 47 172.074 172.074 175.791 -3.717 18220
4923 1 10 . 1 1 56 56 SER CA C 47 58.133 58.133 59.639 -1.506 18220
4924 1 10 . 1 1 56 56 SER CB C 47 63.468 63.468 63.904 -0.436 18220
4925 1 10 . 1 1 56 56 SER H H 47 7.728 7.728 8.465 -0.737 18220
4926 1 10 . 1 1 57 57 ASN N N 48 121.049 121.049 119.108 1.941 18220
4927 1 10 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.745 -0.155 18220
4928 1 10 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.113 0.487 18220
4929 1 10 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.962 -0.321 18220
4930 1 10 . 1 1 57 57 ASN H H 48 8.228 8.228 8.404 -0.176 18220
4931 1 10 . 1 1 58 58 ASP N N 49 120.276 120.276 118.249 2.027 18220
4932 1 10 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.396 0.134 18220
4933 1 10 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.375 -1.173 18220
4934 1 10 . 1 1 58 58 ASP CB C 49 40.374 40.374 39.680 0.694 18220
4935 1 10 . 1 1 58 58 ASP H H 49 8.192 8.192 8.559 -0.367 18220
4936 1 10 . 1 1 59 59 LYS N N 50 120.660 120.660 121.467 -0.807 18220
4937 1 10 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.483 -0.283 18220
4938 1 10 . 1 1 59 59 LYS C C 50 173.474 173.474 176.017 -2.543 18220
4939 1 10 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.790 0.510 18220
4940 1 10 . 1 1 59 59 LYS CB C 50 32.034 32.034 34.009 -1.975 18220
4941 1 10 . 1 1 59 59 LYS H H 50 8.003 8.003 7.865 0.138 18220
4942 1 10 . 1 1 60 60 ARG N N 51 121.278 121.278 119.512 1.766 18220
4943 1 10 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.514 -0.314 18220
4944 1 10 . 1 1 60 60 ARG C C 51 173.303 173.303 175.623 -2.320 18220
4945 1 10 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.231 -0.948 18220
4946 1 10 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.086 -0.848 18220
4947 1 10 . 1 1 60 60 ARG H H 51 8.091 8.091 8.774 -0.683 18220
4948 1 10 . 1 1 61 61 ASP N N 52 121.185 121.185 121.247 -0.062 18220
4949 1 10 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.904 -0.289 18220
4950 1 10 . 1 1 61 61 ASP C C 52 173.777 173.777 175.761 -1.984 18220
4951 1 10 . 1 1 61 61 ASP CA C 52 53.979 53.979 53.179 0.800 18220
4952 1 10 . 1 1 61 61 ASP CB C 52 40.245 40.245 42.584 -2.339 18220
4953 1 10 . 1 1 61 61 ASP H H 52 8.261 8.261 8.229 0.032 18220
4954 1 10 . 1 1 62 62 VAL N N 53 121.902 121.902 122.987 -1.085 18220
4955 1 10 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.073 -0.123 18220
4956 1 10 . 1 1 62 62 VAL C C 53 173.279 173.279 176.598 -3.319 18220
4957 1 10 . 1 1 62 62 VAL CA C 53 63.176 63.176 62.535 0.641 18220
4958 1 10 . 1 1 62 62 VAL CB C 53 32.099 32.099 29.668 2.431 18220
4959 1 10 . 1 1 62 62 VAL H H 53 7.997 7.997 8.576 -0.579 18220
4960 1 10 . 1 1 63 63 LYS N N 54 123.522 123.522 124.958 -1.436 18220
4961 1 10 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.171 0.089 18220
4962 1 10 . 1 1 63 63 LYS C C 54 174.481 174.481 177.831 -3.350 18220
4963 1 10 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.302 -2.955 18220
4964 1 10 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.558 -0.459 18220
4965 1 10 . 1 1 63 63 LYS H H 54 8.054 8.054 8.053 0.001 18220
4966 1 10 . 1 1 64 64 VAL N N 55 120.647 120.647 122.425 -1.778 18220
4967 1 10 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.802 0.145 18220
4968 1 10 . 1 1 64 64 VAL C C 55 174.955 174.955 178.338 -3.383 18220
4969 1 10 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.648 -1.048 18220
4970 1 10 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.807 1.070 18220
4971 1 10 . 1 1 64 64 VAL H H 55 8.225 8.225 8.593 -0.368 18220
4972 1 10 . 1 1 65 65 SER N N 56 117.785 117.785 113.983 3.802 18220
4973 1 10 . 1 1 65 65 SER HA H 56 4.390 4.390 4.152 0.238 18220
4974 1 10 . 1 1 65 65 SER C C 56 172.300 172.300 176.602 -4.302 18220
4975 1 10 . 1 1 65 65 SER CA C 56 60.000 60.000 62.161 -2.161 18220
4976 1 10 . 1 1 65 65 SER CB C 56 62.879 62.879 62.855 0.024 18220
4977 1 10 . 1 1 65 65 SER H H 56 8.260 8.260 8.479 -0.219 18220
4978 1 10 . 1 1 66 66 LEU N N 57 123.318 123.318 122.435 0.883 18220
4979 1 10 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.072 0.018 18220
4980 1 10 . 1 1 66 66 LEU C C 57 175.932 175.932 178.675 -2.743 18220
4981 1 10 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.781 -0.279 18220
4982 1 10 . 1 1 66 66 LEU CB C 57 41.721 41.721 40.908 0.813 18220
4983 1 10 . 1 1 66 66 LEU H H 57 8.091 8.091 7.844 0.247 18220
4984 1 10 . 1 1 67 67 PHE N N 58 118.020 118.020 117.760 0.260 18220
4985 1 10 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.392 -0.062 18220
4986 1 10 . 1 1 67 67 PHE C C 58 174.912 174.912 178.412 -3.500 18220
4987 1 10 . 1 1 67 67 PHE CA C 58 60.600 60.600 62.141 -1.541 18220
4988 1 10 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.561 -0.009 18220
4989 1 10 . 1 1 67 67 PHE H H 58 8.066 8.066 8.539 -0.473 18220
4990 1 10 . 1 1 68 68 THR N N 59 115.324 115.324 117.423 -2.099 18220
4991 1 10 . 1 1 68 68 THR HA H 59 4.310 4.310 4.178 0.132 18220
4992 1 10 . 1 1 68 68 THR C C 59 173.380 173.380 176.311 -2.931 18220
4993 1 10 . 1 1 68 68 THR CA C 59 66.313 66.313 67.317 -1.004 18220
4994 1 10 . 1 1 68 68 THR CB C 59 67.700 67.700 68.755 -1.055 18220
4995 1 10 . 1 1 68 68 THR H H 59 8.287 8.287 8.267 0.020 18220
4996 1 10 . 1 1 69 69 ALA N N 60 123.621 123.621 124.773 -1.152 18220
4997 1 10 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.189 0.091 18220
4998 1 10 . 1 1 69 69 ALA C C 60 176.978 176.978 179.291 -2.313 18220
4999 1 10 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.305 -0.205 18220
5000 1 10 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.153 -0.425 18220
5001 1 10 . 1 1 69 69 ALA H H 60 7.983 7.983 8.408 -0.425 18220
5002 1 10 . 1 1 70 70 PHE N N 61 118.520 118.520 119.519 -0.999 18220
5003 1 10 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.132 0.128 18220
5004 1 10 . 1 1 70 70 PHE C C 61 175.369 175.369 177.598 -2.229 18220
5005 1 10 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.305 -1.126 18220
5006 1 10 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.930 -0.224 18220
5007 1 10 . 1 1 70 70 PHE H H 61 8.007 8.007 8.347 -0.340 18220
5008 1 10 . 1 1 71 71 PHE N N 62 122.314 122.314 119.346 2.968 18220
5009 1 10 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.149 -0.149 18220
5010 1 10 . 1 1 71 71 PHE C C 62 174.697 174.697 177.101 -2.404 18220
5011 1 10 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.581 -1.064 18220
5012 1 10 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.204 -0.434 18220
5013 1 10 . 1 1 71 71 PHE H H 62 8.546 8.546 8.268 0.278 18220
5014 1 10 . 1 1 72 72 LEU N N 63 119.399 119.399 121.042 -1.643 18220
5015 1 10 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.718 0.152 18220
5016 1 10 . 1 1 72 72 LEU C C 63 175.774 175.774 178.681 -2.907 18220
5017 1 10 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.875 -1.950 18220
5018 1 10 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.689 -0.482 18220
5019 1 10 . 1 1 72 72 LEU H H 63 8.396 8.396 8.439 -0.043 18220
5020 1 10 . 1 1 73 73 ALA N N 64 120.221 120.221 119.909 0.312 18220
5021 1 10 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.770 0.190 18220
5022 1 10 . 1 1 73 73 ALA C C 64 177.267 177.267 179.647 -2.380 18220
5023 1 10 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.355 -0.755 18220
5024 1 10 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.781 0.003 18220
5025 1 10 . 1 1 73 73 ALA H H 64 8.025 8.025 8.227 -0.202 18220
5026 1 10 . 1 1 74 74 THR N N 65 113.648 113.648 114.707 -1.059 18220
5027 1 10 . 1 1 74 74 THR HA H 65 3.980 3.980 3.776 0.204 18220
5028 1 10 . 1 1 74 74 THR CA C 65 66.291 66.291 66.964 -0.673 18220
5029 1 10 . 1 1 74 74 THR CB C 65 67.914 67.914 68.464 -0.550 18220
5030 1 10 . 1 1 74 74 THR H H 65 7.717 7.717 7.803 -0.086 18220
5031 1 10 . 1 1 75 75 ILE N N 66 120.291 120.291 119.834 0.457 18220
5032 1 10 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.651 0.089 18220
5033 1 10 . 1 1 75 75 ILE C C 66 174.951 174.951 177.280 -2.329 18220
5034 1 10 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.252 1.627 18220
5035 1 10 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.935 -0.769 18220
5036 1 10 . 1 1 75 75 ILE H H 66 7.738 7.738 7.589 0.149 18220
5037 1 10 . 1 1 76 76 MET N N 67 117.618 117.618 117.311 0.307 18220
5038 1 10 . 1 1 76 76 MET HA H 67 4.220 4.220 4.129 0.091 18220
5039 1 10 . 1 1 76 76 MET C C 67 175.142 175.142 176.962 -1.820 18220
5040 1 10 . 1 1 76 76 MET CA C 67 56.723 56.723 57.604 -0.881 18220
5041 1 10 . 1 1 76 76 MET CB C 67 31.951 31.951 33.808 -1.857 18220
5042 1 10 . 1 1 76 76 MET H H 67 7.823 7.823 7.911 -0.088 18220
5043 1 10 . 1 1 77 77 GLY N N 68 107.110 107.110 105.059 2.051 18220
5044 1 10 . 1 1 77 77 GLY C C 68 172.260 172.260 172.829 -0.569 18220
5045 1 10 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.791 1.009 18220
5046 1 10 . 1 1 77 77 GLY H H 68 7.937 7.937 8.226 -0.289 18220
5047 1 10 . 1 1 78 78 VAL N N 69 120.431 120.431 118.882 1.549 18220
5048 1 10 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.668 -0.448 18220
5049 1 10 . 1 1 78 78 VAL CA C 69 63.900 63.900 61.615 2.285 18220
5050 1 10 . 1 1 78 78 VAL CB C 69 31.506 31.506 33.385 -1.879 18220
5051 1 10 . 1 1 78 78 VAL H H 69 7.697 7.697 8.065 -0.368 18220
5052 1 10 . 1 1 79 79 ARG N N 70 121.420 121.420 119.807 1.613 18220
5053 1 10 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.419 -0.609 18220
5054 1 10 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.124 0.276 18220
5055 1 10 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.913 -0.816 18220
5056 1 10 . 1 1 79 79 ARG H H 70 7.889 7.889 8.492 -0.603 18220
5057 1 10 . 1 1 80 80 PHE N N 71 119.949 119.949 120.057 -0.108 18220
5058 1 10 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.730 -0.220 18220
5059 1 10 . 1 1 80 80 PHE CA C 71 58.600 58.600 57.147 1.453 18220
5060 1 10 . 1 1 80 80 PHE CB C 71 39.145 39.145 38.719 0.426 18220
5061 1 10 . 1 1 80 80 PHE H H 71 8.101 8.101 7.764 0.337 18220
5062 1 10 . 1 1 81 81 LYS N N 72 122.193 122.193 124.610 -2.417 18220
5063 1 10 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.474 0.326 18220
5064 1 10 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.393 -2.071 18220
5065 1 10 . 1 1 81 81 LYS H H 72 8.090 8.090 7.751 0.339 18220
5066 1 10 . 1 1 82 82 ARG N N 73 119.650 119.650 124.223 -4.573 18220
5067 1 10 . 1 1 82 82 ARG CA C 73 56.089 56.089 55.822 0.267 18220
5068 1 10 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.464 -0.293 18220
5069 1 10 . 1 1 82 82 ARG H H 73 8.052 8.052 8.646 -0.594 18220
5070 1 10 . 1 1 83 83 SER N N 74 115.734 115.734 115.949 -0.215 18220
5071 1 10 . 1 1 83 83 SER CA C 74 58.355 58.355 58.930 -0.575 18220
5072 1 10 . 1 1 83 83 SER CB C 74 63.404 63.404 63.257 0.147 18220
5073 1 10 . 1 1 83 83 SER H H 74 7.912 7.912 8.500 -0.588 18220
5074 1 10 . 1 1 84 84 LYS N N 75 122.370 122.370 120.874 1.496 18220
5075 1 10 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.102 0.032 18220
5076 1 10 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.757 -1.582 18220
5077 1 10 . 1 1 84 84 LYS H H 75 8.067 8.067 7.799 0.268 18220
5078 1 10 . 1 1 86 86 ILE N N 77 119.592 119.592 114.986 4.606 18220
5079 1 10 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.751 0.059 18220
5080 1 10 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.279 3.621 18220
5081 1 10 . 1 1 86 86 ILE CB C 77 39.145 39.145 35.348 3.797 18220
5082 1 10 . 1 1 86 86 ILE H H 77 7.837 7.837 8.075 -0.238 18220
5083 1 10 . 1 1 87 87 MET N N 78 121.645 121.645 117.009 4.636 18220
5084 1 10 . 1 1 87 87 MET CA C 78 52.982 52.982 55.643 -2.661 18220
5085 1 10 . 1 1 87 87 MET CB C 78 32.173 32.173 32.668 -0.495 18220
5086 1 10 . 1 1 87 87 MET H H 78 7.950 7.950 7.518 0.432 18220
5087 1 10 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.351 -0.211 18220
5088 1 10 . 1 1 88 88 PRO C C 79 173.921 173.921 177.988 -4.067 18220
5089 1 10 . 1 1 88 88 PRO CA C 79 62.800 62.800 64.549 -1.749 18220
5090 1 10 . 1 1 88 88 PRO CB C 79 31.136 31.136 32.003 -0.867 18220
5091 1 10 . 1 1 89 89 ALA N N 80 124.431 124.431 122.059 2.372 18220
5092 1 10 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.012 0.388 18220
5093 1 10 . 1 1 89 89 ALA C C 80 176.234 176.234 179.909 -3.675 18220
5094 1 10 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.021 -1.721 18220
5095 1 10 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.074 0.424 18220
5096 1 10 . 1 1 89 89 ALA H H 80 8.320 8.320 8.283 0.037 18220
5097 1 10 . 1 1 90 90 GLY N N 81 106.834 106.834 106.905 -0.071 18220
5098 1 10 . 1 1 90 90 GLY C C 81 172.398 172.398 176.132 -3.734 18220
5099 1 10 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.097 -1.497 18220
5100 1 10 . 1 1 90 90 GLY H H 81 8.458 8.458 8.228 0.230 18220
5101 1 10 . 1 1 91 91 LEU N N 82 121.043 121.043 122.152 -1.109 18220
5102 1 10 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.020 0.180 18220
5103 1 10 . 1 1 91 91 LEU C C 82 174.783 174.783 178.635 -3.852 18220
5104 1 10 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.832 -1.532 18220
5105 1 10 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.024 0.082 18220
5106 1 10 . 1 1 91 91 LEU H H 82 7.687 7.687 7.461 0.226 18220
5107 1 10 . 1 1 92 92 VAL N N 83 114.737 114.737 118.103 -3.366 18220
5108 1 10 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.583 0.397 18220
5109 1 10 . 1 1 92 92 VAL C C 83 173.634 173.634 177.964 -4.330 18220
5110 1 10 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.222 -3.822 18220
5111 1 10 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.929 0.656 18220
5112 1 10 . 1 1 92 92 VAL H H 83 7.602 7.602 7.837 -0.235 18220
5113 1 10 . 1 1 93 93 ALA N N 84 124.320 124.320 121.741 2.579 18220
5114 1 10 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.172 -0.022 18220
5115 1 10 . 1 1 93 93 ALA C C 84 175.746 175.746 179.749 -4.003 18220
5116 1 10 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.201 -1.901 18220
5117 1 10 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.147 0.094 18220
5118 1 10 . 1 1 93 93 ALA H H 84 7.891 7.891 8.258 -0.367 18220
5119 1 10 . 1 1 94 94 GLY N N 85 106.807 106.807 108.406 -1.599 18220
5120 1 10 . 1 1 94 94 GLY C C 85 171.752 171.752 176.190 -4.438 18220
5121 1 10 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.998 -1.749 18220
5122 1 10 . 1 1 94 94 GLY H H 85 8.204 8.204 8.144 0.060 18220
5123 1 10 . 1 1 95 95 LEU N N 86 121.266 121.266 122.731 -1.465 18220
5124 1 10 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.132 0.248 18220
5125 1 10 . 1 1 95 95 LEU C C 86 173.702 173.702 178.620 -4.918 18220
5126 1 10 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.720 -2.720 18220
5127 1 10 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.064 1.234 18220
5128 1 10 . 1 1 95 95 LEU H H 86 7.718 7.718 8.254 -0.536 18220
5129 1 10 . 1 1 96 96 SER N N 87 115.658 115.658 115.256 0.402 18220
5130 1 10 . 1 1 96 96 SER HA H 87 4.370 4.370 4.085 0.285 18220
5131 1 10 . 1 1 96 96 SER C C 87 172.479 172.479 176.744 -4.265 18220
5132 1 10 . 1 1 96 96 SER CA C 87 57.200 57.200 61.907 -4.707 18220
5133 1 10 . 1 1 96 96 SER CB C 87 64.174 64.174 63.053 1.121 18220
5134 1 10 . 1 1 96 96 SER H H 87 7.659 7.659 8.140 -0.481 18220
5135 1 10 . 1 1 97 97 LEU N N 88 123.720 123.720 122.835 0.885 18220
5136 1 10 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.928 0.672 18220
5137 1 10 . 1 1 97 97 LEU C C 88 175.932 175.932 178.525 -2.593 18220
5138 1 10 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.325 -0.725 18220
5139 1 10 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.005 -0.605 18220
5140 1 10 . 1 1 97 97 LEU H H 88 8.733 8.733 8.160 0.573 18220
5141 1 10 . 1 1 98 98 MET N N 89 116.684 116.684 118.289 -1.605 18220
5142 1 10 . 1 1 98 98 MET HA H 89 4.280 4.280 3.903 0.377 18220
5143 1 10 . 1 1 98 98 MET C C 89 175.789 175.789 178.541 -2.752 18220
5144 1 10 . 1 1 98 98 MET CA C 89 56.915 56.915 59.106 -2.192 18220
5145 1 10 . 1 1 98 98 MET CB C 89 31.007 31.007 32.405 -1.398 18220
5146 1 10 . 1 1 98 98 MET H H 89 8.342 8.342 8.154 0.188 18220
5147 1 10 . 1 1 99 99 MET N N 90 119.182 119.182 118.719 0.463 18220
5148 1 10 . 1 1 99 99 MET HA H 90 4.110 4.110 3.988 0.122 18220
5149 1 10 . 1 1 99 99 MET C C 90 175.588 175.588 178.727 -3.139 18220
5150 1 10 . 1 1 99 99 MET CA C 90 57.951 57.951 59.697 -1.746 18220
5151 1 10 . 1 1 99 99 MET CB C 90 32.226 32.226 32.700 -0.474 18220
5152 1 10 . 1 1 99 99 MET H H 90 7.720 7.720 7.955 -0.235 18220
5153 1 10 . 1 1 100 100 ILE N N 91 119.077 119.077 120.006 -0.929 18220
5154 1 10 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.588 0.522 18220
5155 1 10 . 1 1 100 100 ILE C C 91 174.634 174.634 177.950 -3.316 18220
5156 1 10 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.754 -1.653 18220
5157 1 10 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.713 -0.570 18220
5158 1 10 . 1 1 100 100 ILE H H 91 7.662 7.662 8.088 -0.426 18220
5159 1 10 . 1 1 101 101 LEU N N 92 119.646 119.646 119.197 0.449 18220
5160 1 10 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.896 0.634 18220
5161 1 10 . 1 1 101 101 LEU C C 92 175.430 175.430 179.129 -3.699 18220
5162 1 10 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.983 -0.182 18220
5163 1 10 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.797 -1.039 18220
5164 1 10 . 1 1 101 101 LEU H H 92 8.142 8.142 8.269 -0.127 18220
5165 1 10 . 1 1 102 102 ARG N N 93 116.394 116.394 119.526 -3.132 18220
5166 1 10 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.087 0.053 18220
5167 1 10 . 1 1 102 102 ARG C C 93 175.961 175.961 178.671 -2.710 18220
5168 1 10 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.736 0.364 18220
5169 1 10 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.607 -0.203 18220
5170 1 10 . 1 1 102 102 ARG H H 93 7.893 7.893 7.920 -0.027 18220
5171 1 10 . 1 1 103 103 LEU N N 94 119.114 119.114 120.481 -1.367 18220
5172 1 10 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.020 0.090 18220
5173 1 10 . 1 1 103 103 LEU C C 94 175.889 175.889 179.591 -3.702 18220
5174 1 10 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.753 -1.453 18220
5175 1 10 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.995 -0.699 18220
5176 1 10 . 1 1 103 103 LEU H H 94 7.622 7.622 8.041 -0.419 18220
5177 1 10 . 1 1 104 104 VAL N N 95 117.704 117.704 118.970 -1.266 18220
5178 1 10 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.741 -0.211 18220
5179 1 10 . 1 1 104 104 VAL C C 95 175.042 175.042 177.771 -2.729 18220
5180 1 10 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.371 1.048 18220
5181 1 10 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.884 -0.527 18220
5182 1 10 . 1 1 104 104 VAL H H 95 8.026 8.026 7.495 0.531 18220
5183 1 10 . 1 1 105 105 LEU N N 96 117.185 117.185 121.435 -4.250 18220
5184 1 10 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.015 -0.035 18220
5185 1 10 . 1 1 105 105 LEU C C 96 176.579 176.579 178.426 -1.847 18220
5186 1 10 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.478 -0.678 18220
5187 1 10 . 1 1 105 105 LEU CB C 96 40.951 40.951 40.866 0.085 18220
5188 1 10 . 1 1 105 105 LEU H H 96 7.893 7.893 7.782 0.111 18220
5189 1 10 . 1 1 106 106 LEU N N 97 118.471 118.471 117.514 0.957 18220
5190 1 10 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.965 0.215 18220
5191 1 10 . 1 1 106 106 LEU C C 97 175.802 175.802 178.963 -3.161 18220
5192 1 10 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.380 -1.079 18220
5193 1 10 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.692 -0.100 18220
5194 1 10 . 1 1 106 106 LEU H H 97 7.545 7.545 7.578 -0.033 18220
5195 1 10 . 1 1 107 107 LEU N N 98 118.162 118.162 118.132 0.030 18220
5196 1 10 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.133 0.097 18220
5197 1 10 . 1 1 107 107 LEU C C 98 174.174 174.174 178.139 -3.965 18220
5198 1 10 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.955 -0.672 18220
5199 1 10 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.470 -0.108 18220
5200 1 10 . 1 1 107 107 LEU H H 98 7.688 7.688 7.617 0.071 18220
5201 1 11 . 1 1 11 11 ASP N N 2 120.536 120.536 121.810 -1.274 18220
5202 1 11 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.507 1.411 18220
5203 1 11 . 1 1 11 11 ASP CB C 2 37.959 37.959 42.085 -4.126 18220
5204 1 11 . 1 1 11 11 ASP H H 2 7.863 7.863 8.324 -0.461 18220
5205 1 11 . 1 1 12 12 LEU N N 3 121.414 121.414 126.082 -4.668 18220
5206 1 11 . 1 1 12 12 LEU C C 3 176.162 176.162 175.932 0.230 18220
5207 1 11 . 1 1 12 12 LEU CA C 3 57.600 57.600 54.776 2.824 18220
5208 1 11 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.306 -0.649 18220
5209 1 11 . 1 1 12 12 LEU H H 3 8.285 8.285 8.415 -0.130 18220
5210 1 11 . 1 1 13 13 ILE N N 4 118.854 118.854 121.505 -2.651 18220
5211 1 11 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.614 -0.874 18220
5212 1 11 . 1 1 13 13 ILE C C 4 175.228 175.228 175.420 -0.192 18220
5213 1 11 . 1 1 13 13 ILE CA C 4 64.500 64.500 59.634 4.866 18220
5214 1 11 . 1 1 13 13 ILE CB C 4 37.102 37.102 40.977 -3.875 18220
5215 1 11 . 1 1 13 13 ILE H H 4 8.031 8.031 8.079 -0.048 18220
5216 1 11 . 1 1 14 14 GLY N N 5 107.478 107.478 109.055 -1.577 18220
5217 1 11 . 1 1 14 14 GLY C C 5 174.424 174.424 175.534 -1.110 18220
5218 1 11 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.484 1.575 18220
5219 1 11 . 1 1 14 14 GLY H H 5 8.148 8.148 8.364 -0.216 18220
5220 1 11 . 1 1 15 15 PHE N N 6 122.774 122.774 126.780 -4.006 18220
5221 1 11 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.250 0.230 18220
5222 1 11 . 1 1 15 15 PHE C C 6 175.113 175.113 177.758 -2.645 18220
5223 1 11 . 1 1 15 15 PHE CA C 6 60.017 60.017 60.910 -0.893 18220
5224 1 11 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.142 -0.368 18220
5225 1 11 . 1 1 15 15 PHE H H 6 8.194 8.194 8.345 -0.151 18220
5226 1 11 . 1 1 16 16 GLY N N 7 107.938 107.938 107.408 0.530 18220
5227 1 11 . 1 1 16 16 GLY C C 7 171.838 171.838 176.019 -4.181 18220
5228 1 11 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.600 -0.500 18220
5229 1 11 . 1 1 16 16 GLY H H 7 8.697 8.697 8.619 0.078 18220
5230 1 11 . 1 1 17 17 TYR N N 8 121.785 121.785 123.196 -1.411 18220
5231 1 11 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.122 0.028 18220
5232 1 11 . 1 1 17 17 TYR C C 8 174.180 174.180 177.662 -3.482 18220
5233 1 11 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.123 0.177 18220
5234 1 11 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.289 -0.330 18220
5235 1 11 . 1 1 17 17 TYR H H 8 8.710 8.710 8.375 0.335 18220
5236 1 11 . 1 1 18 18 ALA N N 9 120.233 120.233 120.787 -0.554 18220
5237 1 11 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.883 0.067 18220
5238 1 11 . 1 1 18 18 ALA C C 9 178.059 178.059 179.337 -1.278 18220
5239 1 11 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.975 -0.103 18220
5240 1 11 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.576 -0.014 18220
5241 1 11 . 1 1 18 18 ALA H H 9 7.843 7.843 8.137 -0.294 18220
5242 1 11 . 1 1 19 19 ALA N N 10 121.797 121.797 121.117 0.680 18220
5243 1 11 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.161 -0.211 18220
5244 1 11 . 1 1 19 19 ALA C C 10 176.191 176.191 179.613 -3.422 18220
5245 1 11 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.717 -0.117 18220
5246 1 11 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.361 -0.799 18220
5247 1 11 . 1 1 19 19 ALA H H 10 8.212 8.212 7.975 0.237 18220
5248 1 11 . 1 1 20 20 LEU N N 11 119.442 119.442 121.009 -1.567 18220
5249 1 11 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.074 -0.137 18220
5250 1 11 . 1 1 20 20 LEU C C 11 176.694 176.694 178.536 -1.842 18220
5251 1 11 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.146 -0.346 18220
5252 1 11 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.046 -0.824 18220
5253 1 11 . 1 1 20 20 LEU H H 11 8.065 8.065 7.903 0.162 18220
5254 1 11 . 1 1 21 21 VAL N N 12 118.323 118.323 118.702 -0.379 18220
5255 1 11 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.410 0.230 18220
5256 1 11 . 1 1 21 21 VAL C C 12 176.536 176.536 177.997 -1.461 18220
5257 1 11 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.453 -2.053 18220
5258 1 11 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.134 0.002 18220
5259 1 11 . 1 1 21 21 VAL H H 12 8.051 8.051 8.244 -0.193 18220
5260 1 11 . 1 1 22 22 THR N N 13 118.298 118.298 116.411 1.887 18220
5261 1 11 . 1 1 22 22 THR HA H 13 4.660 4.660 3.881 0.779 18220
5262 1 11 . 1 1 22 22 THR C C 13 173.734 173.734 176.333 -2.599 18220
5263 1 11 . 1 1 22 22 THR CA C 13 66.300 66.300 67.474 -1.174 18220
5264 1 11 . 1 1 22 22 THR CB C 13 67.775 67.775 68.747 -0.972 18220
5265 1 11 . 1 1 22 22 THR H H 13 7.944 7.944 8.027 -0.083 18220
5266 1 11 . 1 1 23 23 PHE N N 14 121.328 121.328 121.356 -0.028 18220
5267 1 11 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.018 0.322 18220
5268 1 11 . 1 1 23 23 PHE C C 14 174.783 174.783 177.834 -3.051 18220
5269 1 11 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.529 -1.028 18220
5270 1 11 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.596 0.030 18220
5271 1 11 . 1 1 23 23 PHE H H 14 8.567 8.567 8.274 0.293 18220
5272 1 11 . 1 1 24 24 GLY N N 15 106.871 106.871 105.971 0.900 18220
5273 1 11 . 1 1 24 24 GLY C C 15 172.858 172.858 176.290 -3.432 18220
5274 1 11 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.197 -0.297 18220
5275 1 11 . 1 1 24 24 GLY H H 15 8.475 8.475 8.453 0.022 18220
5276 1 11 . 1 1 25 25 SER N N 16 116.214 116.214 117.978 -1.764 18220
5277 1 11 . 1 1 25 25 SER HA H 16 4.280 4.280 4.133 0.147 18220
5278 1 11 . 1 1 25 25 SER CA C 16 60.300 60.300 61.489 -1.189 18220
5279 1 11 . 1 1 25 25 SER CB C 16 62.879 62.879 62.980 -0.101 18220
5280 1 11 . 1 1 25 25 SER H H 16 7.963 7.963 8.387 -0.424 18220
5281 1 11 . 1 1 26 26 ILE N N 17 121.024 121.024 121.131 -0.107 18220
5282 1 11 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.541 0.405 18220
5283 1 11 . 1 1 26 26 ILE C C 17 173.935 173.935 178.362 -4.427 18220
5284 1 11 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.616 -1.516 18220
5285 1 11 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.753 0.354 18220
5286 1 11 . 1 1 26 26 ILE H H 17 7.676 7.676 8.334 -0.658 18220
5287 1 11 . 1 1 27 27 PHE N N 18 117.142 117.142 119.903 -2.761 18220
5288 1 11 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.287 0.143 18220
5289 1 11 . 1 1 27 27 PHE C C 18 173.504 173.504 177.400 -3.896 18220
5290 1 11 . 1 1 27 27 PHE CA C 18 58.500 58.500 61.013 -2.513 18220
5291 1 11 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.029 -0.255 18220
5292 1 11 . 1 1 27 27 PHE H H 18 7.703 7.703 8.351 -0.648 18220
5293 1 11 . 1 1 28 28 GLY N N 19 107.303 107.303 104.061 3.242 18220
5294 1 11 . 1 1 28 28 GLY C C 19 171.593 171.593 174.010 -2.417 18220
5295 1 11 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.333 0.267 18220
5296 1 11 . 1 1 28 28 GLY H H 19 7.722 7.722 7.922 -0.200 18220
5297 1 11 . 1 1 29 29 TYR N N 20 119.862 119.862 118.752 1.110 18220
5298 1 11 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.070 0.322 18220
5299 1 11 . 1 1 29 29 TYR C C 20 173.174 173.174 174.995 -1.821 18220
5300 1 11 . 1 1 29 29 TYR CA C 20 58.500 58.500 59.251 -0.751 18220
5301 1 11 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.812 0.592 18220
5302 1 11 . 1 1 29 29 TYR H H 20 7.880 7.880 7.846 0.034 18220
5303 1 11 . 1 1 30 30 LYS N N 21 122.335 122.335 126.364 -4.029 18220
5304 1 11 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.440 -0.050 18220
5305 1 11 . 1 1 30 30 LYS C C 21 173.547 173.547 175.688 -2.141 18220
5306 1 11 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.205 -0.405 18220
5307 1 11 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.245 -0.849 18220
5308 1 11 . 1 1 30 30 LYS H H 21 7.934 7.934 8.399 -0.465 18220
5309 1 11 . 1 1 31 31 ARG N N 22 120.612 120.612 121.186 -0.574 18220
5310 1 11 . 1 1 31 31 ARG C C 22 173.547 173.547 175.804 -2.257 18220
5311 1 11 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.357 0.477 18220
5312 1 11 . 1 1 31 31 ARG CB C 22 30.101 30.101 31.836 -1.735 18220
5313 1 11 . 1 1 31 31 ARG H H 22 7.905 7.905 8.072 -0.167 18220
5314 1 11 . 1 1 32 32 ARG N N 23 121.748 121.748 120.179 1.569 18220
5315 1 11 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.501 -0.191 18220
5316 1 11 . 1 1 32 32 ARG C C 23 173.863 173.863 175.020 -1.157 18220
5317 1 11 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.134 -0.334 18220
5318 1 11 . 1 1 32 32 ARG CB C 23 30.245 30.245 31.847 -1.602 18220
5319 1 11 . 1 1 32 32 ARG H H 23 8.175 8.175 8.975 -0.800 18220
5320 1 11 . 1 1 33 33 GLY N N 24 109.528 109.528 108.841 0.687 18220
5321 1 11 . 1 1 33 33 GLY C C 24 171.752 171.752 174.815 -3.063 18220
5322 1 11 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.569 -0.669 18220
5323 1 11 . 1 1 33 33 GLY H H 24 8.264 8.264 8.740 -0.476 18220
5324 1 11 . 1 1 34 34 GLY N N 25 108.563 108.563 108.532 0.031 18220
5325 1 11 . 1 1 34 34 GLY C C 25 171.701 171.701 174.135 -2.434 18220
5326 1 11 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.177 -0.577 18220
5327 1 11 . 1 1 34 34 GLY H H 25 8.208 8.208 8.668 -0.460 18220
5328 1 11 . 1 1 35 35 VAL N N 26 121.164 121.164 120.216 0.948 18220
5329 1 11 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.438 -0.428 18220
5330 1 11 . 1 1 35 35 VAL C C 26 175.888 175.888 174.068 1.820 18220
5331 1 11 . 1 1 35 35 VAL CA C 26 63.900 63.900 58.001 5.899 18220
5332 1 11 . 1 1 35 35 VAL CB C 26 30.690 30.690 32.242 -1.552 18220
5333 1 11 . 1 1 35 35 VAL H H 26 8.485 8.485 7.959 0.526 18220
5334 1 11 . 1 1 36 36 PRO C C 27 177.660 177.660 177.801 -0.141 18220
5335 1 11 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.118 -1.272 18220
5336 1 11 . 1 1 37 37 SER N N 28 116.023 116.023 114.977 1.046 18220
5337 1 11 . 1 1 37 37 SER HA H 28 4.280 4.280 4.051 0.229 18220
5338 1 11 . 1 1 37 37 SER CA C 28 61.100 61.100 60.684 0.416 18220
5339 1 11 . 1 1 37 37 SER H H 28 7.948 7.948 8.420 -0.472 18220
5340 1 11 . 1 1 38 38 LEU N N 29 124.029 124.029 121.992 2.037 18220
5341 1 11 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.930 0.240 18220
5342 1 11 . 1 1 38 38 LEU C C 29 176.132 176.132 178.839 -2.707 18220
5343 1 11 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.220 -0.720 18220
5344 1 11 . 1 1 38 38 LEU CB C 29 42.038 42.038 42.087 -0.049 18220
5345 1 11 . 1 1 38 38 LEU H H 29 8.201 8.201 7.884 0.317 18220
5346 1 11 . 1 1 39 39 ILE N N 30 117.098 117.098 115.814 1.284 18220
5347 1 11 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.656 0.714 18220
5348 1 11 . 1 1 39 39 ILE C C 30 176.478 176.478 177.364 -0.886 18220
5349 1 11 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.973 -1.894 18220
5350 1 11 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.480 0.493 18220
5351 1 11 . 1 1 39 39 ILE H H 30 7.662 7.662 7.463 0.199 18220
5352 1 11 . 1 1 40 40 ALA N N 31 122.447 122.447 121.992 0.455 18220
5353 1 11 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.033 0.001 18220
5354 1 11 . 1 1 40 40 ALA C C 31 177.067 177.067 179.944 -2.877 18220
5355 1 11 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.364 0.598 18220
5356 1 11 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.555 0.301 18220
5357 1 11 . 1 1 40 40 ALA H H 31 8.096 8.096 7.901 0.195 18220
5358 1 11 . 1 1 41 41 GLY N N 32 104.056 104.056 107.001 -2.945 18220
5359 1 11 . 1 1 41 41 GLY C C 32 174.251 174.251 176.414 -2.163 18220
5360 1 11 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.815 -0.315 18220
5361 1 11 . 1 1 41 41 GLY H H 32 8.123 8.123 7.907 0.216 18220
5362 1 11 . 1 1 42 42 LEU N N 33 123.250 123.250 123.983 -0.733 18220
5363 1 11 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.196 -0.339 18220
5364 1 11 . 1 1 42 42 LEU C C 33 176.033 176.033 178.620 -2.587 18220
5365 1 11 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.603 -0.935 18220
5366 1 11 . 1 1 42 42 LEU CB C 33 41.721 41.721 40.974 0.748 18220
5367 1 11 . 1 1 42 42 LEU H H 33 7.914 7.914 8.104 -0.190 18220
5368 1 11 . 1 1 43 43 PHE N N 34 119.757 119.757 118.745 1.012 18220
5369 1 11 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.071 0.129 18220
5370 1 11 . 1 1 43 43 PHE C C 34 174.374 174.374 178.295 -3.921 18220
5371 1 11 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.592 -2.716 18220
5372 1 11 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.233 0.600 18220
5373 1 11 . 1 1 43 43 PHE H H 34 8.287 8.287 8.558 -0.271 18220
5374 1 11 . 1 1 44 44 VAL N N 35 117.791 117.791 118.282 -0.491 18220
5375 1 11 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.564 0.046 18220
5376 1 11 . 1 1 44 44 VAL C C 35 176.205 176.205 178.201 -1.996 18220
5377 1 11 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.537 -2.978 18220
5378 1 11 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.267 0.164 18220
5379 1 11 . 1 1 44 44 VAL H H 35 8.235 8.235 8.475 -0.240 18220
5380 1 11 . 1 1 45 45 GLY N N 36 108.551 108.551 107.611 0.940 18220
5381 1 11 . 1 1 45 45 GLY C C 36 173.749 173.749 176.186 -2.437 18220
5382 1 11 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.480 -1.397 18220
5383 1 11 . 1 1 45 45 GLY H H 36 8.178 8.178 8.139 0.039 18220
5384 1 11 . 1 1 46 46 CYS N N 37 121.173 121.173 121.269 -0.096 18220
5385 1 11 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.010 0.170 18220
5386 1 11 . 1 1 46 46 CYS C C 37 173.710 173.710 176.987 -3.277 18220
5387 1 11 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.570 -1.570 18220
5388 1 11 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.317 32.966 18220
5389 1 11 . 1 1 46 46 CYS H H 37 8.253 8.253 8.391 -0.138 18220
5390 1 11 . 1 1 47 47 LEU N N 38 120.283 120.283 120.973 -0.690 18220
5391 1 11 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.846 0.214 18220
5392 1 11 . 1 1 47 47 LEU C C 38 176.679 176.679 178.208 -1.529 18220
5393 1 11 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.161 -2.135 18220
5394 1 11 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.866 -0.402 18220
5395 1 11 . 1 1 47 47 LEU H H 38 7.965 7.965 8.253 -0.288 18220
5396 1 11 . 1 1 48 48 ALA N N 39 122.249 122.249 120.695 1.554 18220
5397 1 11 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.941 0.201 18220
5398 1 11 . 1 1 48 48 ALA C C 39 177.915 177.915 179.348 -1.433 18220
5399 1 11 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.454 -1.737 18220
5400 1 11 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.041 -0.056 18220
5401 1 11 . 1 1 48 48 ALA H H 39 8.066 8.066 8.420 -0.354 18220
5402 1 11 . 1 1 49 49 GLY N N 40 107.377 107.377 107.370 0.007 18220
5403 1 11 . 1 1 49 49 GLY C C 40 172.527 172.527 175.894 -3.367 18220
5404 1 11 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.144 -1.694 18220
5405 1 11 . 1 1 49 49 GLY H H 40 8.172 8.172 8.208 -0.036 18220
5406 1 11 . 1 1 50 50 TYR N N 41 122.409 122.409 123.527 -1.118 18220
5407 1 11 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.986 -0.187 18220
5408 1 11 . 1 1 50 50 TYR C C 41 174.208 174.208 178.085 -3.877 18220
5409 1 11 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.427 -2.182 18220
5410 1 11 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.213 -0.277 18220
5411 1 11 . 1 1 50 50 TYR H H 41 7.800 7.800 8.395 -0.595 18220
5412 1 11 . 1 1 51 51 GLY N N 42 106.935 106.935 106.114 0.821 18220
5413 1 11 . 1 1 51 51 GLY C C 42 172.642 172.642 175.600 -2.958 18220
5414 1 11 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.900 -0.635 18220
5415 1 11 . 1 1 51 51 GLY H H 42 8.199 8.199 8.135 0.064 18220
5416 1 11 . 1 1 52 52 ALA N N 43 123.018 123.018 124.439 -1.421 18220
5417 1 11 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.004 0.146 18220
5418 1 11 . 1 1 52 52 ALA C C 43 176.398 176.398 178.939 -2.541 18220
5419 1 11 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.660 -1.777 18220
5420 1 11 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.261 -0.020 18220
5421 1 11 . 1 1 52 52 ALA H H 43 7.758 7.758 8.371 -0.613 18220
5422 1 11 . 1 1 53 53 TYR N N 44 119.664 119.664 118.299 1.365 18220
5423 1 11 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.209 0.109 18220
5424 1 11 . 1 1 53 53 TYR C C 44 174.180 174.180 176.489 -2.309 18220
5425 1 11 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.091 -2.498 18220
5426 1 11 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.654 -0.462 18220
5427 1 11 . 1 1 53 53 TYR H H 44 7.920 7.920 7.950 -0.030 18220
5428 1 11 . 1 1 54 54 ARG N N 45 119.516 119.516 118.630 0.886 18220
5429 1 11 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.162 -0.232 18220
5430 1 11 . 1 1 54 54 ARG C C 45 174.423 174.423 178.055 -3.632 18220
5431 1 11 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.809 -1.782 18220
5432 1 11 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.281 -1.108 18220
5433 1 11 . 1 1 54 54 ARG H H 45 7.956 7.956 7.823 0.133 18220
5434 1 11 . 1 1 55 55 VAL N N 46 116.437 116.437 117.829 -1.392 18220
5435 1 11 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.879 0.181 18220
5436 1 11 . 1 1 55 55 VAL C C 46 173.806 173.806 176.527 -2.721 18220
5437 1 11 . 1 1 55 55 VAL CA C 46 62.300 62.300 64.583 -2.283 18220
5438 1 11 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.150 -0.629 18220
5439 1 11 . 1 1 55 55 VAL H H 46 7.489 7.489 8.127 -0.638 18220
5440 1 11 . 1 1 56 56 SER N N 47 117.185 117.185 115.431 1.754 18220
5441 1 11 . 1 1 56 56 SER HA H 47 4.401 4.401 4.117 0.284 18220
5442 1 11 . 1 1 56 56 SER C C 47 172.074 172.074 173.888 -1.814 18220
5443 1 11 . 1 1 56 56 SER CA C 47 58.133 58.133 58.769 -0.636 18220
5444 1 11 . 1 1 56 56 SER CB C 47 63.468 63.468 62.406 1.062 18220
5445 1 11 . 1 1 56 56 SER H H 47 7.728 7.728 7.687 0.041 18220
5446 1 11 . 1 1 57 57 ASN N N 48 121.049 121.049 124.381 -3.332 18220
5447 1 11 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.825 -0.235 18220
5448 1 11 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.438 -0.838 18220
5449 1 11 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.587 0.054 18220
5450 1 11 . 1 1 57 57 ASN H H 48 8.228 8.228 8.771 -0.543 18220
5451 1 11 . 1 1 58 58 ASP N N 49 120.276 120.276 118.573 1.703 18220
5452 1 11 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.537 -0.007 18220
5453 1 11 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.893 -0.691 18220
5454 1 11 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.007 -0.633 18220
5455 1 11 . 1 1 58 58 ASP H H 49 8.192 8.192 8.213 -0.021 18220
5456 1 11 . 1 1 59 59 LYS N N 50 120.660 120.660 117.913 2.747 18220
5457 1 11 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.423 -0.223 18220
5458 1 11 . 1 1 59 59 LYS C C 50 173.474 173.474 174.015 -0.541 18220
5459 1 11 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.051 0.249 18220
5460 1 11 . 1 1 59 59 LYS CB C 50 32.034 32.034 34.321 -2.287 18220
5461 1 11 . 1 1 59 59 LYS H H 50 8.003 8.003 7.698 0.305 18220
5462 1 11 . 1 1 60 60 ARG N N 51 121.278 121.278 118.543 2.735 18220
5463 1 11 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.494 -0.294 18220
5464 1 11 . 1 1 60 60 ARG C C 51 173.303 173.303 174.329 -1.026 18220
5465 1 11 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.730 -0.447 18220
5466 1 11 . 1 1 60 60 ARG CB C 51 30.238 30.238 29.448 0.790 18220
5467 1 11 . 1 1 60 60 ARG H H 51 8.091 8.091 8.629 -0.538 18220
5468 1 11 . 1 1 61 61 ASP N N 52 121.185 121.185 121.025 0.160 18220
5469 1 11 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.679 -0.064 18220
5470 1 11 . 1 1 61 61 ASP C C 52 173.777 173.777 176.733 -2.956 18220
5471 1 11 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.114 -0.135 18220
5472 1 11 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.586 -1.341 18220
5473 1 11 . 1 1 61 61 ASP H H 52 8.261 8.261 7.900 0.361 18220
5474 1 11 . 1 1 62 62 VAL N N 53 121.902 121.902 123.629 -1.727 18220
5475 1 11 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.421 0.529 18220
5476 1 11 . 1 1 62 62 VAL C C 53 173.279 173.279 176.769 -3.490 18220
5477 1 11 . 1 1 62 62 VAL CA C 53 63.176 63.176 66.002 -2.826 18220
5478 1 11 . 1 1 62 62 VAL CB C 53 32.099 32.099 30.459 1.640 18220
5479 1 11 . 1 1 62 62 VAL H H 53 7.997 7.997 8.458 -0.461 18220
5480 1 11 . 1 1 63 63 LYS N N 54 123.522 123.522 120.447 3.075 18220
5481 1 11 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.006 0.254 18220
5482 1 11 . 1 1 63 63 LYS C C 54 174.481 174.481 178.084 -3.603 18220
5483 1 11 . 1 1 63 63 LYS CA C 54 56.347 56.347 60.163 -3.816 18220
5484 1 11 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.359 -0.260 18220
5485 1 11 . 1 1 63 63 LYS H H 54 8.054 8.054 8.368 -0.314 18220
5486 1 11 . 1 1 64 64 VAL N N 55 120.647 120.647 115.905 4.742 18220
5487 1 11 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.863 0.084 18220
5488 1 11 . 1 1 64 64 VAL C C 55 174.955 174.955 178.223 -3.268 18220
5489 1 11 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.374 -1.774 18220
5490 1 11 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.918 0.959 18220
5491 1 11 . 1 1 64 64 VAL H H 55 8.225 8.225 8.171 0.054 18220
5492 1 11 . 1 1 65 65 SER N N 56 117.785 117.785 115.103 2.682 18220
5493 1 11 . 1 1 65 65 SER HA H 56 4.390 4.390 4.206 0.184 18220
5494 1 11 . 1 1 65 65 SER C C 56 172.300 172.300 176.921 -4.621 18220
5495 1 11 . 1 1 65 65 SER CA C 56 60.000 60.000 61.798 -1.798 18220
5496 1 11 . 1 1 65 65 SER CB C 56 62.879 62.879 62.529 0.350 18220
5497 1 11 . 1 1 65 65 SER H H 56 8.260 8.260 7.711 0.549 18220
5498 1 11 . 1 1 66 66 LEU N N 57 123.318 123.318 122.088 1.230 18220
5499 1 11 . 1 1 66 66 LEU HA H 57 4.090 4.090 3.948 0.142 18220
5500 1 11 . 1 1 66 66 LEU C C 57 175.932 175.932 178.920 -2.988 18220
5501 1 11 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.692 -1.190 18220
5502 1 11 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.984 -0.264 18220
5503 1 11 . 1 1 66 66 LEU H H 57 8.091 8.091 8.136 -0.045 18220
5504 1 11 . 1 1 67 67 PHE N N 58 118.020 118.020 117.516 0.504 18220
5505 1 11 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.415 -0.085 18220
5506 1 11 . 1 1 67 67 PHE C C 58 174.912 174.912 178.311 -3.399 18220
5507 1 11 . 1 1 67 67 PHE CA C 58 60.600 60.600 62.190 -1.590 18220
5508 1 11 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.841 -0.289 18220
5509 1 11 . 1 1 67 67 PHE H H 58 8.066 8.066 8.527 -0.461 18220
5510 1 11 . 1 1 68 68 THR N N 59 115.324 115.324 117.585 -2.261 18220
5511 1 11 . 1 1 68 68 THR HA H 59 4.310 4.310 4.184 0.126 18220
5512 1 11 . 1 1 68 68 THR C C 59 173.380 173.380 176.527 -3.147 18220
5513 1 11 . 1 1 68 68 THR CA C 59 66.313 66.313 67.664 -1.351 18220
5514 1 11 . 1 1 68 68 THR CB C 59 67.700 67.700 68.902 -1.202 18220
5515 1 11 . 1 1 68 68 THR H H 59 8.287 8.287 8.335 -0.048 18220
5516 1 11 . 1 1 69 69 ALA N N 60 123.621 123.621 124.618 -0.997 18220
5517 1 11 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.214 0.066 18220
5518 1 11 . 1 1 69 69 ALA C C 60 176.978 176.978 179.353 -2.375 18220
5519 1 11 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.208 -0.108 18220
5520 1 11 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.110 -0.382 18220
5521 1 11 . 1 1 69 69 ALA H H 60 7.983 7.983 8.655 -0.672 18220
5522 1 11 . 1 1 70 70 PHE N N 61 118.520 118.520 120.275 -1.755 18220
5523 1 11 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.080 0.180 18220
5524 1 11 . 1 1 70 70 PHE C C 61 175.369 175.369 177.457 -2.088 18220
5525 1 11 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.290 -1.111 18220
5526 1 11 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.850 -0.144 18220
5527 1 11 . 1 1 70 70 PHE H H 61 8.007 8.007 8.334 -0.327 18220
5528 1 11 . 1 1 71 71 PHE N N 62 122.314 122.314 118.273 4.041 18220
5529 1 11 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.083 -0.083 18220
5530 1 11 . 1 1 71 71 PHE C C 62 174.697 174.697 177.947 -3.250 18220
5531 1 11 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.359 -1.842 18220
5532 1 11 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.868 -0.098 18220
5533 1 11 . 1 1 71 71 PHE H H 62 8.546 8.546 8.273 0.273 18220
5534 1 11 . 1 1 72 72 LEU N N 63 119.399 119.399 120.502 -1.103 18220
5535 1 11 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.926 -0.056 18220
5536 1 11 . 1 1 72 72 LEU C C 63 175.774 175.774 179.246 -3.472 18220
5537 1 11 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.188 -1.263 18220
5538 1 11 . 1 1 72 72 LEU CB C 63 41.207 41.207 40.690 0.517 18220
5539 1 11 . 1 1 72 72 LEU H H 63 8.396 8.396 8.470 -0.074 18220
5540 1 11 . 1 1 73 73 ALA N N 64 120.221 120.221 120.809 -0.588 18220
5541 1 11 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.840 0.120 18220
5542 1 11 . 1 1 73 73 ALA C C 64 177.267 177.267 179.616 -2.349 18220
5543 1 11 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.254 -0.654 18220
5544 1 11 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.934 -0.150 18220
5545 1 11 . 1 1 73 73 ALA H H 64 8.025 8.025 8.310 -0.285 18220
5546 1 11 . 1 1 74 74 THR N N 65 113.648 113.648 115.328 -1.680 18220
5547 1 11 . 1 1 74 74 THR HA H 65 3.980 3.980 3.811 0.169 18220
5548 1 11 . 1 1 74 74 THR CA C 65 66.291 66.291 67.038 -0.747 18220
5549 1 11 . 1 1 74 74 THR CB C 65 67.914 67.914 68.602 -0.688 18220
5550 1 11 . 1 1 74 74 THR H H 65 7.717 7.717 8.087 -0.370 18220
5551 1 11 . 1 1 75 75 ILE N N 66 120.291 120.291 116.441 3.850 18220
5552 1 11 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.943 -0.203 18220
5553 1 11 . 1 1 75 75 ILE C C 66 174.951 174.951 177.231 -2.280 18220
5554 1 11 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.626 1.254 18220
5555 1 11 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.821 -0.655 18220
5556 1 11 . 1 1 75 75 ILE H H 66 7.738 7.738 7.940 -0.202 18220
5557 1 11 . 1 1 76 76 MET N N 67 117.618 117.618 118.672 -1.054 18220
5558 1 11 . 1 1 76 76 MET HA H 67 4.220 4.220 4.274 -0.054 18220
5559 1 11 . 1 1 76 76 MET C C 67 175.142 175.142 177.248 -2.106 18220
5560 1 11 . 1 1 76 76 MET CA C 67 56.723 56.723 57.580 -0.856 18220
5561 1 11 . 1 1 76 76 MET CB C 67 31.951 31.951 34.369 -2.418 18220
5562 1 11 . 1 1 76 76 MET H H 67 7.823 7.823 8.081 -0.258 18220
5563 1 11 . 1 1 77 77 GLY N N 68 107.110 107.110 105.419 1.691 18220
5564 1 11 . 1 1 77 77 GLY C C 68 172.260 172.260 172.737 -0.477 18220
5565 1 11 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.401 0.399 18220
5566 1 11 . 1 1 77 77 GLY H H 68 7.937 7.937 8.484 -0.547 18220
5567 1 11 . 1 1 78 78 VAL N N 69 120.431 120.431 123.090 -2.659 18220
5568 1 11 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.458 -0.238 18220
5569 1 11 . 1 1 78 78 VAL CA C 69 63.900 63.900 60.145 3.755 18220
5570 1 11 . 1 1 78 78 VAL CB C 69 31.506 31.506 33.385 -1.879 18220
5571 1 11 . 1 1 78 78 VAL H H 69 7.697 7.697 8.167 -0.470 18220
5572 1 11 . 1 1 79 79 ARG N N 70 121.420 121.420 127.361 -5.941 18220
5573 1 11 . 1 1 79 79 ARG HA H 70 3.810 3.810 3.996 -0.186 18220
5574 1 11 . 1 1 79 79 ARG CA C 70 56.400 56.400 58.523 -2.123 18220
5575 1 11 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.463 -0.366 18220
5576 1 11 . 1 1 79 79 ARG H H 70 7.889 7.889 8.610 -0.721 18220
5577 1 11 . 1 1 80 80 PHE N N 71 119.949 119.949 118.318 1.631 18220
5578 1 11 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.476 0.034 18220
5579 1 11 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.358 0.241 18220
5580 1 11 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.889 -0.744 18220
5581 1 11 . 1 1 80 80 PHE H H 71 8.101 8.101 7.830 0.271 18220
5582 1 11 . 1 1 81 81 LYS N N 72 122.193 122.193 122.111 0.082 18220
5583 1 11 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.960 0.840 18220
5584 1 11 . 1 1 81 81 LYS CB C 72 32.322 32.322 32.955 -0.633 18220
5585 1 11 . 1 1 81 81 LYS H H 72 8.090 8.090 7.344 0.746 18220
5586 1 11 . 1 1 82 82 ARG N N 73 119.650 119.650 119.033 0.617 18220
5587 1 11 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.754 -0.665 18220
5588 1 11 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.266 -0.095 18220
5589 1 11 . 1 1 82 82 ARG H H 73 8.052 8.052 8.081 -0.029 18220
5590 1 11 . 1 1 83 83 SER N N 74 115.734 115.734 116.863 -1.129 18220
5591 1 11 . 1 1 83 83 SER CA C 74 58.355 58.355 57.335 1.020 18220
5592 1 11 . 1 1 83 83 SER CB C 74 63.404 63.404 66.445 -3.041 18220
5593 1 11 . 1 1 83 83 SER H H 74 7.912 7.912 8.085 -0.173 18220
5594 1 11 . 1 1 84 84 LYS N N 75 122.370 122.370 120.342 2.028 18220
5595 1 11 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.288 -0.153 18220
5596 1 11 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.346 -1.171 18220
5597 1 11 . 1 1 84 84 LYS H H 75 8.067 8.067 8.568 -0.501 18220
5598 1 11 . 1 1 86 86 ILE N N 77 119.592 119.592 120.095 -0.503 18220
5599 1 11 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.205 -0.395 18220
5600 1 11 . 1 1 86 86 ILE CA C 77 64.900 64.900 60.865 4.035 18220
5601 1 11 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.988 0.157 18220
5602 1 11 . 1 1 86 86 ILE H H 77 7.837 7.837 7.878 -0.041 18220
5603 1 11 . 1 1 87 87 MET N N 78 121.645 121.645 120.399 1.246 18220
5604 1 11 . 1 1 87 87 MET CA C 78 52.982 52.982 55.358 -2.376 18220
5605 1 11 . 1 1 87 87 MET CB C 78 32.173 32.173 31.781 0.392 18220
5606 1 11 . 1 1 87 87 MET H H 78 7.950 7.950 7.734 0.216 18220
5607 1 11 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.622 -0.482 18220
5608 1 11 . 1 1 88 88 PRO C C 79 173.921 173.921 175.880 -1.959 18220
5609 1 11 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.911 -0.111 18220
5610 1 11 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.799 1.337 18220
5611 1 11 . 1 1 89 89 ALA N N 80 124.431 124.431 123.826 0.605 18220
5612 1 11 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.039 0.361 18220
5613 1 11 . 1 1 89 89 ALA C C 80 176.234 176.234 179.030 -2.796 18220
5614 1 11 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.671 -1.371 18220
5615 1 11 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.942 -0.444 18220
5616 1 11 . 1 1 89 89 ALA H H 80 8.320 8.320 8.381 -0.061 18220
5617 1 11 . 1 1 90 90 GLY N N 81 106.834 106.834 107.516 -0.682 18220
5618 1 11 . 1 1 90 90 GLY C C 81 172.398 172.398 175.912 -3.514 18220
5619 1 11 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.312 -1.712 18220
5620 1 11 . 1 1 90 90 GLY H H 81 8.458 8.458 8.588 -0.130 18220
5621 1 11 . 1 1 91 91 LEU N N 82 121.043 121.043 123.294 -2.251 18220
5622 1 11 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.041 0.159 18220
5623 1 11 . 1 1 91 91 LEU C C 82 174.783 174.783 178.866 -4.083 18220
5624 1 11 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.876 -1.576 18220
5625 1 11 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.373 0.733 18220
5626 1 11 . 1 1 91 91 LEU H H 82 7.687 7.687 7.523 0.164 18220
5627 1 11 . 1 1 92 92 VAL N N 83 114.737 114.737 116.368 -1.631 18220
5628 1 11 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.706 0.274 18220
5629 1 11 . 1 1 92 92 VAL C C 83 173.634 173.634 177.930 -4.296 18220
5630 1 11 . 1 1 92 92 VAL CA C 83 62.400 62.400 65.993 -3.593 18220
5631 1 11 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.253 1.333 18220
5632 1 11 . 1 1 92 92 VAL H H 83 7.602 7.602 7.984 -0.382 18220
5633 1 11 . 1 1 93 93 ALA N N 84 124.320 124.320 122.913 1.407 18220
5634 1 11 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.111 0.039 18220
5635 1 11 . 1 1 93 93 ALA C C 84 175.746 175.746 179.743 -3.997 18220
5636 1 11 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.314 -2.014 18220
5637 1 11 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.189 0.052 18220
5638 1 11 . 1 1 93 93 ALA H H 84 7.891 7.891 8.240 -0.349 18220
5639 1 11 . 1 1 94 94 GLY N N 85 106.807 106.807 108.025 -1.218 18220
5640 1 11 . 1 1 94 94 GLY C C 85 171.752 171.752 175.638 -3.886 18220
5641 1 11 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.655 -1.406 18220
5642 1 11 . 1 1 94 94 GLY H H 85 8.204 8.204 8.349 -0.145 18220
5643 1 11 . 1 1 95 95 LEU N N 86 121.266 121.266 123.104 -1.838 18220
5644 1 11 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.062 0.318 18220
5645 1 11 . 1 1 95 95 LEU C C 86 173.702 173.702 178.655 -4.953 18220
5646 1 11 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.475 -2.475 18220
5647 1 11 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.703 0.595 18220
5648 1 11 . 1 1 95 95 LEU H H 86 7.718 7.718 8.177 -0.459 18220
5649 1 11 . 1 1 96 96 SER N N 87 115.658 115.658 114.305 1.353 18220
5650 1 11 . 1 1 96 96 SER HA H 87 4.370 4.370 4.159 0.211 18220
5651 1 11 . 1 1 96 96 SER C C 87 172.479 172.479 176.484 -4.005 18220
5652 1 11 . 1 1 96 96 SER CA C 87 57.200 57.200 62.232 -5.032 18220
5653 1 11 . 1 1 96 96 SER CB C 87 64.174 64.174 63.064 1.110 18220
5654 1 11 . 1 1 96 96 SER H H 87 7.659 7.659 8.005 -0.346 18220
5655 1 11 . 1 1 97 97 LEU N N 88 123.720 123.720 122.820 0.900 18220
5656 1 11 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.891 0.709 18220
5657 1 11 . 1 1 97 97 LEU C C 88 175.932 175.932 178.470 -2.538 18220
5658 1 11 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.169 -0.570 18220
5659 1 11 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.941 -0.541 18220
5660 1 11 . 1 1 97 97 LEU H H 88 8.733 8.733 7.982 0.751 18220
5661 1 11 . 1 1 98 98 MET N N 89 116.684 116.684 117.621 -0.937 18220
5662 1 11 . 1 1 98 98 MET HA H 89 4.280 4.280 3.950 0.330 18220
5663 1 11 . 1 1 98 98 MET C C 89 175.789 175.789 178.548 -2.759 18220
5664 1 11 . 1 1 98 98 MET CA C 89 56.915 56.915 59.718 -2.803 18220
5665 1 11 . 1 1 98 98 MET CB C 89 31.007 31.007 32.602 -1.595 18220
5666 1 11 . 1 1 98 98 MET H H 89 8.342 8.342 8.422 -0.080 18220
5667 1 11 . 1 1 99 99 MET N N 90 119.182 119.182 120.162 -0.980 18220
5668 1 11 . 1 1 99 99 MET HA H 90 4.110 4.110 4.030 0.080 18220
5669 1 11 . 1 1 99 99 MET C C 90 175.588 175.588 178.637 -3.049 18220
5670 1 11 . 1 1 99 99 MET CA C 90 57.951 57.951 59.169 -1.218 18220
5671 1 11 . 1 1 99 99 MET CB C 90 32.226 32.226 32.492 -0.265 18220
5672 1 11 . 1 1 99 99 MET H H 90 7.720 7.720 7.941 -0.221 18220
5673 1 11 . 1 1 100 100 ILE N N 91 119.077 119.077 119.460 -0.383 18220
5674 1 11 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.648 0.462 18220
5675 1 11 . 1 1 100 100 ILE C C 91 174.634 174.634 178.369 -3.735 18220
5676 1 11 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.047 -0.947 18220
5677 1 11 . 1 1 100 100 ILE CB C 91 37.143 37.143 36.950 0.193 18220
5678 1 11 . 1 1 100 100 ILE H H 91 7.662 7.662 8.552 -0.890 18220
5679 1 11 . 1 1 101 101 LEU N N 92 119.646 119.646 119.412 0.234 18220
5680 1 11 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.898 0.632 18220
5681 1 11 . 1 1 101 101 LEU C C 92 175.430 175.430 179.199 -3.769 18220
5682 1 11 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.080 -0.280 18220
5683 1 11 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.627 -0.869 18220
5684 1 11 . 1 1 101 101 LEU H H 92 8.142 8.142 8.187 -0.045 18220
5685 1 11 . 1 1 102 102 ARG N N 93 116.394 116.394 119.172 -2.778 18220
5686 1 11 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.048 0.092 18220
5687 1 11 . 1 1 102 102 ARG C C 93 175.961 175.961 178.570 -2.609 18220
5688 1 11 . 1 1 102 102 ARG CA C 93 59.100 59.100 59.392 -0.292 18220
5689 1 11 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.895 -0.491 18220
5690 1 11 . 1 1 102 102 ARG H H 93 7.893 7.893 8.124 -0.231 18220
5691 1 11 . 1 1 103 103 LEU N N 94 119.114 119.114 121.010 -1.896 18220
5692 1 11 . 1 1 103 103 LEU HA H 94 4.110 4.110 3.975 0.135 18220
5693 1 11 . 1 1 103 103 LEU C C 94 175.889 175.889 178.792 -2.903 18220
5694 1 11 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.448 -1.148 18220
5695 1 11 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.891 -0.595 18220
5696 1 11 . 1 1 103 103 LEU H H 94 7.622 7.622 8.104 -0.482 18220
5697 1 11 . 1 1 104 104 VAL N N 95 117.704 117.704 118.153 -0.449 18220
5698 1 11 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.758 -0.228 18220
5699 1 11 . 1 1 104 104 VAL C C 95 175.042 175.042 178.308 -3.266 18220
5700 1 11 . 1 1 104 104 VAL CA C 95 66.419 66.419 66.148 0.271 18220
5701 1 11 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.800 -0.443 18220
5702 1 11 . 1 1 104 104 VAL H H 95 8.026 8.026 7.319 0.707 18220
5703 1 11 . 1 1 105 105 LEU N N 96 117.185 117.185 120.534 -3.349 18220
5704 1 11 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.993 -0.013 18220
5705 1 11 . 1 1 105 105 LEU C C 96 176.579 176.579 179.072 -2.493 18220
5706 1 11 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.946 -1.146 18220
5707 1 11 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.072 -0.121 18220
5708 1 11 . 1 1 105 105 LEU H H 96 7.893 7.893 7.887 0.006 18220
5709 1 11 . 1 1 106 106 LEU N N 97 118.471 118.471 120.233 -1.762 18220
5710 1 11 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.975 0.205 18220
5711 1 11 . 1 1 106 106 LEU C C 97 175.802 175.802 178.967 -3.165 18220
5712 1 11 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.900 -1.600 18220
5713 1 11 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.426 0.166 18220
5714 1 11 . 1 1 106 106 LEU H H 97 7.545 7.545 8.532 -0.987 18220
5715 1 11 . 1 1 107 107 LEU N N 98 118.162 118.162 118.986 -0.824 18220
5716 1 11 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.057 0.173 18220
5717 1 11 . 1 1 107 107 LEU C C 98 174.174 174.174 178.013 -3.839 18220
5718 1 11 . 1 1 107 107 LEU CA C 98 56.283 56.283 57.035 -0.752 18220
5719 1 11 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.395 -0.033 18220
5720 1 11 . 1 1 107 107 LEU H H 98 7.688 7.688 7.665 0.023 18220
5721 1 12 . 1 1 11 11 ASP N N 2 120.536 120.536 123.289 -2.753 18220
5722 1 12 . 1 1 11 11 ASP CA C 2 55.918 55.918 55.403 0.515 18220
5723 1 12 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.072 -3.112 18220
5724 1 12 . 1 1 11 11 ASP H H 2 7.863 7.863 8.341 -0.478 18220
5725 1 12 . 1 1 12 12 LEU N N 3 121.414 121.414 122.130 -0.716 18220
5726 1 12 . 1 1 12 12 LEU C C 3 176.162 176.162 175.837 0.325 18220
5727 1 12 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.721 1.879 18220
5728 1 12 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.161 -0.504 18220
5729 1 12 . 1 1 12 12 LEU H H 3 8.285 8.285 8.734 -0.449 18220
5730 1 12 . 1 1 13 13 ILE N N 4 118.854 118.854 121.665 -2.811 18220
5731 1 12 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.272 -0.532 18220
5732 1 12 . 1 1 13 13 ILE C C 4 175.228 175.228 174.991 0.237 18220
5733 1 12 . 1 1 13 13 ILE CA C 4 64.500 64.500 60.941 3.558 18220
5734 1 12 . 1 1 13 13 ILE CB C 4 37.102 37.102 40.975 -3.873 18220
5735 1 12 . 1 1 13 13 ILE H H 4 8.031 8.031 8.088 -0.057 18220
5736 1 12 . 1 1 14 14 GLY N N 5 107.478 107.478 114.487 -7.009 18220
5737 1 12 . 1 1 14 14 GLY C C 5 174.424 174.424 175.222 -0.798 18220
5738 1 12 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.968 1.091 18220
5739 1 12 . 1 1 14 14 GLY H H 5 8.148 8.148 8.441 -0.293 18220
5740 1 12 . 1 1 15 15 PHE N N 6 122.774 122.774 127.163 -4.389 18220
5741 1 12 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.067 0.413 18220
5742 1 12 . 1 1 15 15 PHE C C 6 175.113 175.113 177.651 -2.538 18220
5743 1 12 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.644 -1.627 18220
5744 1 12 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.110 -0.336 18220
5745 1 12 . 1 1 15 15 PHE H H 6 8.194 8.194 8.141 0.053 18220
5746 1 12 . 1 1 16 16 GLY N N 7 107.938 107.938 106.874 1.064 18220
5747 1 12 . 1 1 16 16 GLY C C 7 171.838 171.838 175.798 -3.960 18220
5748 1 12 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.451 -0.351 18220
5749 1 12 . 1 1 16 16 GLY H H 7 8.697 8.697 8.576 0.121 18220
5750 1 12 . 1 1 17 17 TYR N N 8 121.785 121.785 123.307 -1.522 18220
5751 1 12 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.096 0.054 18220
5752 1 12 . 1 1 17 17 TYR C C 8 174.180 174.180 177.389 -3.209 18220
5753 1 12 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.975 0.325 18220
5754 1 12 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.299 -0.340 18220
5755 1 12 . 1 1 17 17 TYR H H 8 8.710 8.710 8.339 0.371 18220
5756 1 12 . 1 1 18 18 ALA N N 9 120.233 120.233 120.820 -0.587 18220
5757 1 12 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.782 0.168 18220
5758 1 12 . 1 1 18 18 ALA C C 9 178.059 178.059 179.255 -1.196 18220
5759 1 12 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.903 -0.030 18220
5760 1 12 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.572 -0.010 18220
5761 1 12 . 1 1 18 18 ALA H H 9 7.843 7.843 8.129 -0.286 18220
5762 1 12 . 1 1 19 19 ALA N N 10 121.797 121.797 121.573 0.224 18220
5763 1 12 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.279 -0.329 18220
5764 1 12 . 1 1 19 19 ALA C C 10 176.191 176.191 179.618 -3.427 18220
5765 1 12 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.473 0.127 18220
5766 1 12 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.496 -0.934 18220
5767 1 12 . 1 1 19 19 ALA H H 10 8.212 8.212 7.984 0.228 18220
5768 1 12 . 1 1 20 20 LEU N N 11 119.442 119.442 120.490 -1.048 18220
5769 1 12 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.008 -0.071 18220
5770 1 12 . 1 1 20 20 LEU C C 11 176.694 176.694 178.612 -1.918 18220
5771 1 12 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.858 -0.058 18220
5772 1 12 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.196 -0.973 18220
5773 1 12 . 1 1 20 20 LEU H H 11 8.065 8.065 7.868 0.197 18220
5774 1 12 . 1 1 21 21 VAL N N 12 118.323 118.323 118.742 -0.419 18220
5775 1 12 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.509 0.131 18220
5776 1 12 . 1 1 21 21 VAL C C 12 176.536 176.536 177.884 -1.348 18220
5777 1 12 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.732 -1.332 18220
5778 1 12 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.799 0.337 18220
5779 1 12 . 1 1 21 21 VAL H H 12 8.051 8.051 8.072 -0.021 18220
5780 1 12 . 1 1 22 22 THR N N 13 118.298 118.298 115.113 3.185 18220
5781 1 12 . 1 1 22 22 THR HA H 13 4.660 4.660 3.904 0.756 18220
5782 1 12 . 1 1 22 22 THR C C 13 173.734 173.734 176.849 -3.115 18220
5783 1 12 . 1 1 22 22 THR CA C 13 66.300 66.300 66.561 -0.261 18220
5784 1 12 . 1 1 22 22 THR CB C 13 67.775 67.775 68.666 -0.891 18220
5785 1 12 . 1 1 22 22 THR H H 13 7.944 7.944 8.123 -0.179 18220
5786 1 12 . 1 1 23 23 PHE N N 14 121.328 121.328 122.854 -1.526 18220
5787 1 12 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.119 0.221 18220
5788 1 12 . 1 1 23 23 PHE C C 14 174.783 174.783 178.165 -3.382 18220
5789 1 12 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.308 -0.808 18220
5790 1 12 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.669 -0.043 18220
5791 1 12 . 1 1 23 23 PHE H H 14 8.567 8.567 8.430 0.137 18220
5792 1 12 . 1 1 24 24 GLY N N 15 106.871 106.871 106.453 0.418 18220
5793 1 12 . 1 1 24 24 GLY C C 15 172.858 172.858 176.495 -3.637 18220
5794 1 12 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.277 -0.377 18220
5795 1 12 . 1 1 24 24 GLY H H 15 8.475 8.475 8.480 -0.005 18220
5796 1 12 . 1 1 25 25 SER N N 16 116.214 116.214 118.482 -2.268 18220
5797 1 12 . 1 1 25 25 SER HA H 16 4.280 4.280 4.104 0.176 18220
5798 1 12 . 1 1 25 25 SER CA C 16 60.300 60.300 61.923 -1.623 18220
5799 1 12 . 1 1 25 25 SER CB C 16 62.879 62.879 62.873 0.006 18220
5800 1 12 . 1 1 25 25 SER H H 16 7.963 7.963 8.315 -0.352 18220
5801 1 12 . 1 1 26 26 ILE N N 17 121.024 121.024 121.250 -0.226 18220
5802 1 12 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.543 0.403 18220
5803 1 12 . 1 1 26 26 ILE C C 17 173.935 173.935 178.860 -4.925 18220
5804 1 12 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.193 -2.093 18220
5805 1 12 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.905 0.202 18220
5806 1 12 . 1 1 26 26 ILE H H 17 7.676 7.676 8.374 -0.698 18220
5807 1 12 . 1 1 27 27 PHE N N 18 117.142 117.142 120.304 -3.162 18220
5808 1 12 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.238 0.192 18220
5809 1 12 . 1 1 27 27 PHE C C 18 173.504 173.504 177.313 -3.809 18220
5810 1 12 . 1 1 27 27 PHE CA C 18 58.500 58.500 61.068 -2.567 18220
5811 1 12 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.004 -0.230 18220
5812 1 12 . 1 1 27 27 PHE H H 18 7.703 7.703 8.400 -0.697 18220
5813 1 12 . 1 1 28 28 GLY N N 19 107.303 107.303 104.578 2.725 18220
5814 1 12 . 1 1 28 28 GLY C C 19 171.593 171.593 174.023 -2.430 18220
5815 1 12 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.120 0.480 18220
5816 1 12 . 1 1 28 28 GLY H H 19 7.722 7.722 7.696 0.026 18220
5817 1 12 . 1 1 29 29 TYR N N 20 119.862 119.862 118.831 1.031 18220
5818 1 12 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.135 0.257 18220
5819 1 12 . 1 1 29 29 TYR C C 20 173.174 173.174 174.683 -1.509 18220
5820 1 12 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.714 -0.214 18220
5821 1 12 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.613 0.791 18220
5822 1 12 . 1 1 29 29 TYR H H 20 7.880 7.880 7.837 0.043 18220
5823 1 12 . 1 1 30 30 LYS N N 21 122.335 122.335 125.646 -3.311 18220
5824 1 12 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.427 -0.037 18220
5825 1 12 . 1 1 30 30 LYS C C 21 173.547 173.547 175.403 -1.856 18220
5826 1 12 . 1 1 30 30 LYS CA C 21 55.800 55.800 55.721 0.079 18220
5827 1 12 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.557 -1.161 18220
5828 1 12 . 1 1 30 30 LYS H H 21 7.934 7.934 8.134 -0.200 18220
5829 1 12 . 1 1 31 31 ARG N N 22 120.612 120.612 122.523 -1.911 18220
5830 1 12 . 1 1 31 31 ARG C C 22 173.547 173.547 174.859 -1.312 18220
5831 1 12 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.908 -1.074 18220
5832 1 12 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.451 -0.350 18220
5833 1 12 . 1 1 31 31 ARG H H 22 7.905 7.905 8.791 -0.886 18220
5834 1 12 . 1 1 32 32 ARG N N 23 121.748 121.748 120.273 1.475 18220
5835 1 12 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.311 -0.001 18220
5836 1 12 . 1 1 32 32 ARG C C 23 173.863 173.863 175.304 -1.441 18220
5837 1 12 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.354 -0.554 18220
5838 1 12 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.767 -0.522 18220
5839 1 12 . 1 1 32 32 ARG H H 23 8.175 8.175 8.502 -0.327 18220
5840 1 12 . 1 1 33 33 GLY N N 24 109.528 109.528 107.742 1.786 18220
5841 1 12 . 1 1 33 33 GLY C C 24 171.752 171.752 173.547 -1.795 18220
5842 1 12 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.200 -0.299 18220
5843 1 12 . 1 1 33 33 GLY H H 24 8.264 8.264 7.963 0.301 18220
5844 1 12 . 1 1 34 34 GLY N N 25 108.563 108.563 108.051 0.512 18220
5845 1 12 . 1 1 34 34 GLY C C 25 171.701 171.701 173.445 -1.744 18220
5846 1 12 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.487 0.113 18220
5847 1 12 . 1 1 34 34 GLY H H 25 8.208 8.208 7.907 0.301 18220
5848 1 12 . 1 1 35 35 VAL N N 26 121.164 121.164 120.099 1.065 18220
5849 1 12 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.039 -0.029 18220
5850 1 12 . 1 1 35 35 VAL C C 26 175.888 175.888 174.900 0.988 18220
5851 1 12 . 1 1 35 35 VAL CA C 26 63.900 63.900 62.931 0.969 18220
5852 1 12 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.546 -0.856 18220
5853 1 12 . 1 1 35 35 VAL H H 26 8.485 8.485 8.724 -0.239 18220
5854 1 12 . 1 1 36 36 PRO C C 27 177.660 177.660 175.905 1.755 18220
5855 1 12 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.962 -1.115 18220
5856 1 12 . 1 1 37 37 SER N N 28 116.023 116.023 113.060 2.963 18220
5857 1 12 . 1 1 37 37 SER HA H 28 4.280 4.280 4.581 -0.301 18220
5858 1 12 . 1 1 37 37 SER CA C 28 61.100 61.100 58.176 2.924 18220
5859 1 12 . 1 1 37 37 SER H H 28 7.948 7.948 8.297 -0.349 18220
5860 1 12 . 1 1 38 38 LEU N N 29 124.029 124.029 124.308 -0.279 18220
5861 1 12 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.027 0.143 18220
5862 1 12 . 1 1 38 38 LEU C C 29 176.132 176.132 178.121 -1.989 18220
5863 1 12 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.203 -0.703 18220
5864 1 12 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.217 0.821 18220
5865 1 12 . 1 1 38 38 LEU H H 29 8.201 8.201 8.304 -0.103 18220
5866 1 12 . 1 1 39 39 ILE N N 30 117.098 117.098 118.398 -1.300 18220
5867 1 12 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.655 0.715 18220
5868 1 12 . 1 1 39 39 ILE C C 30 176.478 176.478 177.194 -0.716 18220
5869 1 12 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.071 -0.992 18220
5870 1 12 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.923 0.050 18220
5871 1 12 . 1 1 39 39 ILE H H 30 7.662 7.662 8.278 -0.616 18220
5872 1 12 . 1 1 40 40 ALA N N 31 122.447 122.447 121.379 1.068 18220
5873 1 12 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.045 -0.011 18220
5874 1 12 . 1 1 40 40 ALA C C 31 177.067 177.067 179.993 -2.926 18220
5875 1 12 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.294 0.668 18220
5876 1 12 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.976 -0.120 18220
5877 1 12 . 1 1 40 40 ALA H H 31 8.096 8.096 8.009 0.087 18220
5878 1 12 . 1 1 41 41 GLY N N 32 104.056 104.056 106.651 -2.595 18220
5879 1 12 . 1 1 41 41 GLY C C 32 174.251 174.251 176.066 -1.815 18220
5880 1 12 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.732 -0.232 18220
5881 1 12 . 1 1 41 41 GLY H H 32 8.123 8.123 8.142 -0.019 18220
5882 1 12 . 1 1 42 42 LEU N N 33 123.250 123.250 124.172 -0.922 18220
5883 1 12 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.106 -0.249 18220
5884 1 12 . 1 1 42 42 LEU C C 33 176.033 176.033 178.103 -2.070 18220
5885 1 12 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.507 -1.839 18220
5886 1 12 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.111 -0.390 18220
5887 1 12 . 1 1 42 42 LEU H H 33 7.914 7.914 8.064 -0.150 18220
5888 1 12 . 1 1 43 43 PHE N N 34 119.757 119.757 119.102 0.655 18220
5889 1 12 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.008 0.192 18220
5890 1 12 . 1 1 43 43 PHE C C 34 174.374 174.374 177.616 -3.242 18220
5891 1 12 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.271 -2.395 18220
5892 1 12 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.680 0.154 18220
5893 1 12 . 1 1 43 43 PHE H H 34 8.287 8.287 8.748 -0.461 18220
5894 1 12 . 1 1 44 44 VAL N N 35 117.791 117.791 119.490 -1.699 18220
5895 1 12 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.617 -0.007 18220
5896 1 12 . 1 1 44 44 VAL C C 35 176.205 176.205 177.721 -1.516 18220
5897 1 12 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.626 -2.067 18220
5898 1 12 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.439 -0.007 18220
5899 1 12 . 1 1 44 44 VAL H H 35 8.235 8.235 8.380 -0.145 18220
5900 1 12 . 1 1 45 45 GLY N N 36 108.551 108.551 107.079 1.472 18220
5901 1 12 . 1 1 45 45 GLY C C 36 173.749 173.749 176.079 -2.330 18220
5902 1 12 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.479 -1.396 18220
5903 1 12 . 1 1 45 45 GLY H H 36 8.178 8.178 8.092 0.086 18220
5904 1 12 . 1 1 46 46 CYS N N 37 121.173 121.173 120.862 0.311 18220
5905 1 12 . 1 1 46 46 CYS HA H 37 4.180 4.180 3.764 0.416 18220
5906 1 12 . 1 1 46 46 CYS C C 37 173.710 173.710 176.950 -3.240 18220
5907 1 12 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.778 -0.778 18220
5908 1 12 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.297 32.986 18220
5909 1 12 . 1 1 46 46 CYS H H 37 8.253 8.253 8.310 -0.057 18220
5910 1 12 . 1 1 47 47 LEU N N 38 120.283 120.283 120.276 0.007 18220
5911 1 12 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.695 0.365 18220
5912 1 12 . 1 1 47 47 LEU C C 38 176.679 176.679 178.529 -1.850 18220
5913 1 12 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.383 -2.356 18220
5914 1 12 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.753 -0.289 18220
5915 1 12 . 1 1 47 47 LEU H H 38 7.965 7.965 7.852 0.113 18220
5916 1 12 . 1 1 48 48 ALA N N 39 122.249 122.249 120.457 1.792 18220
5917 1 12 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.917 0.225 18220
5918 1 12 . 1 1 48 48 ALA C C 39 177.915 177.915 179.765 -1.850 18220
5919 1 12 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.382 -1.665 18220
5920 1 12 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.130 -0.144 18220
5921 1 12 . 1 1 48 48 ALA H H 39 8.066 8.066 8.142 -0.076 18220
5922 1 12 . 1 1 49 49 GLY N N 40 107.377 107.377 107.032 0.345 18220
5923 1 12 . 1 1 49 49 GLY C C 40 172.527 172.527 176.146 -3.619 18220
5924 1 12 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.129 -1.679 18220
5925 1 12 . 1 1 49 49 GLY H H 40 8.172 8.172 8.228 -0.056 18220
5926 1 12 . 1 1 50 50 TYR N N 41 122.409 122.409 122.560 -0.151 18220
5927 1 12 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.054 -0.255 18220
5928 1 12 . 1 1 50 50 TYR C C 41 174.208 174.208 178.545 -4.337 18220
5929 1 12 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.272 -1.027 18220
5930 1 12 . 1 1 50 50 TYR CB C 41 37.936 37.936 37.725 0.211 18220
5931 1 12 . 1 1 50 50 TYR H H 41 7.800 7.800 8.479 -0.679 18220
5932 1 12 . 1 1 51 51 GLY N N 42 106.935 106.935 106.018 0.917 18220
5933 1 12 . 1 1 51 51 GLY C C 42 172.642 172.642 175.817 -3.175 18220
5934 1 12 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.854 -0.589 18220
5935 1 12 . 1 1 51 51 GLY H H 42 8.199 8.199 8.141 0.058 18220
5936 1 12 . 1 1 52 52 ALA N N 43 123.018 123.018 123.952 -0.934 18220
5937 1 12 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.053 0.097 18220
5938 1 12 . 1 1 52 52 ALA C C 43 176.398 176.398 179.222 -2.824 18220
5939 1 12 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.385 -1.502 18220
5940 1 12 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.368 -0.127 18220
5941 1 12 . 1 1 52 52 ALA H H 43 7.758 7.758 8.121 -0.363 18220
5942 1 12 . 1 1 53 53 TYR N N 44 119.664 119.664 118.286 1.378 18220
5943 1 12 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.306 0.012 18220
5944 1 12 . 1 1 53 53 TYR C C 44 174.180 174.180 177.448 -3.268 18220
5945 1 12 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.809 -2.216 18220
5946 1 12 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.759 -0.567 18220
5947 1 12 . 1 1 53 53 TYR H H 44 7.920 7.920 7.889 0.031 18220
5948 1 12 . 1 1 54 54 ARG N N 45 119.516 119.516 119.096 0.420 18220
5949 1 12 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.315 -0.385 18220
5950 1 12 . 1 1 54 54 ARG C C 45 174.423 174.423 177.801 -3.378 18220
5951 1 12 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.943 -1.916 18220
5952 1 12 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.659 -1.486 18220
5953 1 12 . 1 1 54 54 ARG H H 45 7.956 7.956 8.095 -0.139 18220
5954 1 12 . 1 1 55 55 VAL N N 46 116.437 116.437 120.247 -3.810 18220
5955 1 12 . 1 1 55 55 VAL HA H 46 4.060 4.060 4.170 -0.110 18220
5956 1 12 . 1 1 55 55 VAL C C 46 173.806 173.806 175.273 -1.467 18220
5957 1 12 . 1 1 55 55 VAL CA C 46 62.300 62.300 61.121 1.179 18220
5958 1 12 . 1 1 55 55 VAL CB C 46 31.521 31.521 29.317 2.204 18220
5959 1 12 . 1 1 55 55 VAL H H 46 7.489 7.489 8.272 -0.783 18220
5960 1 12 . 1 1 56 56 SER N N 47 117.185 117.185 119.082 -1.897 18220
5961 1 12 . 1 1 56 56 SER HA H 47 4.401 4.401 4.344 0.057 18220
5962 1 12 . 1 1 56 56 SER C C 47 172.074 172.074 174.478 -2.404 18220
5963 1 12 . 1 1 56 56 SER CA C 47 58.133 58.133 60.081 -1.948 18220
5964 1 12 . 1 1 56 56 SER CB C 47 63.468 63.468 63.743 -0.275 18220
5965 1 12 . 1 1 56 56 SER H H 47 7.728 7.728 7.779 -0.051 18220
5966 1 12 . 1 1 57 57 ASN N N 48 121.049 121.049 122.574 -1.525 18220
5967 1 12 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.828 -0.238 18220
5968 1 12 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.841 -0.241 18220
5969 1 12 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.792 -1.151 18220
5970 1 12 . 1 1 57 57 ASN H H 48 8.228 8.228 8.767 -0.539 18220
5971 1 12 . 1 1 58 58 ASP N N 49 120.276 120.276 119.984 0.292 18220
5972 1 12 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.627 -0.097 18220
5973 1 12 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.721 -0.519 18220
5974 1 12 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.273 -0.899 18220
5975 1 12 . 1 1 58 58 ASP H H 49 8.192 8.192 8.069 0.123 18220
5976 1 12 . 1 1 59 59 LYS N N 50 120.660 120.660 123.600 -2.940 18220
5977 1 12 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.531 -0.331 18220
5978 1 12 . 1 1 59 59 LYS C C 50 173.474 173.474 175.646 -2.172 18220
5979 1 12 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.945 0.355 18220
5980 1 12 . 1 1 59 59 LYS CB C 50 32.034 32.034 33.477 -1.444 18220
5981 1 12 . 1 1 59 59 LYS H H 50 8.003 8.003 8.391 -0.388 18220
5982 1 12 . 1 1 60 60 ARG N N 51 121.278 121.278 123.715 -2.437 18220
5983 1 12 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.395 -0.195 18220
5984 1 12 . 1 1 60 60 ARG C C 51 173.303 173.303 175.955 -2.652 18220
5985 1 12 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.617 -1.334 18220
5986 1 12 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.856 -0.618 18220
5987 1 12 . 1 1 60 60 ARG H H 51 8.091 8.091 8.805 -0.714 18220
5988 1 12 . 1 1 61 61 ASP N N 52 121.185 121.185 116.631 4.554 18220
5989 1 12 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.713 -0.098 18220
5990 1 12 . 1 1 61 61 ASP C C 52 173.777 173.777 175.444 -1.667 18220
5991 1 12 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.326 -0.347 18220
5992 1 12 . 1 1 61 61 ASP CB C 52 40.245 40.245 43.302 -3.057 18220
5993 1 12 . 1 1 61 61 ASP H H 52 8.261 8.261 8.113 0.148 18220
5994 1 12 . 1 1 62 62 VAL N N 53 121.902 121.902 117.954 3.948 18220
5995 1 12 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.377 -0.427 18220
5996 1 12 . 1 1 62 62 VAL C C 53 173.279 173.279 174.741 -1.462 18220
5997 1 12 . 1 1 62 62 VAL CA C 53 63.176 63.176 62.819 0.357 18220
5998 1 12 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.168 -0.069 18220
5999 1 12 . 1 1 62 62 VAL H H 53 7.997 7.997 7.689 0.308 18220
6000 1 12 . 1 1 63 63 LYS N N 54 123.522 123.522 121.432 2.090 18220
6001 1 12 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.269 -0.009 18220
6002 1 12 . 1 1 63 63 LYS C C 54 174.481 174.481 177.775 -3.294 18220
6003 1 12 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.120 -2.773 18220
6004 1 12 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.933 0.166 18220
6005 1 12 . 1 1 63 63 LYS H H 54 8.054 8.054 8.061 -0.007 18220
6006 1 12 . 1 1 64 64 VAL N N 55 120.647 120.647 119.249 1.398 18220
6007 1 12 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.619 0.328 18220
6008 1 12 . 1 1 64 64 VAL C C 55 174.955 174.955 178.140 -3.185 18220
6009 1 12 . 1 1 64 64 VAL CA C 55 64.600 64.600 64.990 -0.390 18220
6010 1 12 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.873 1.004 18220
6011 1 12 . 1 1 64 64 VAL H H 55 8.225 8.225 7.823 0.402 18220
6012 1 12 . 1 1 65 65 SER N N 56 117.785 117.785 115.302 2.483 18220
6013 1 12 . 1 1 65 65 SER HA H 56 4.390 4.390 4.136 0.254 18220
6014 1 12 . 1 1 65 65 SER C C 56 172.300 172.300 176.544 -4.244 18220
6015 1 12 . 1 1 65 65 SER CA C 56 60.000 60.000 62.714 -2.714 18220
6016 1 12 . 1 1 65 65 SER CB C 56 62.879 62.879 62.771 0.108 18220
6017 1 12 . 1 1 65 65 SER H H 56 8.260 8.260 8.285 -0.025 18220
6018 1 12 . 1 1 66 66 LEU N N 57 123.318 123.318 122.225 1.093 18220
6019 1 12 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.109 -0.019 18220
6020 1 12 . 1 1 66 66 LEU C C 57 175.932 175.932 178.694 -2.762 18220
6021 1 12 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.397 -0.895 18220
6022 1 12 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.111 -0.390 18220
6023 1 12 . 1 1 66 66 LEU H H 57 8.091 8.091 7.853 0.238 18220
6024 1 12 . 1 1 67 67 PHE N N 58 118.020 118.020 117.892 0.128 18220
6025 1 12 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.335 -0.004 18220
6026 1 12 . 1 1 67 67 PHE C C 58 174.912 174.912 178.272 -3.360 18220
6027 1 12 . 1 1 67 67 PHE CA C 58 60.600 60.600 62.072 -1.472 18220
6028 1 12 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.597 -0.045 18220
6029 1 12 . 1 1 67 67 PHE H H 58 8.066 8.066 8.571 -0.505 18220
6030 1 12 . 1 1 68 68 THR N N 59 115.324 115.324 117.806 -2.482 18220
6031 1 12 . 1 1 68 68 THR HA H 59 4.310 4.310 4.144 0.166 18220
6032 1 12 . 1 1 68 68 THR C C 59 173.380 173.380 176.186 -2.806 18220
6033 1 12 . 1 1 68 68 THR CA C 59 66.313 66.313 67.853 -1.540 18220
6034 1 12 . 1 1 68 68 THR CB C 59 67.700 67.700 68.854 -1.154 18220
6035 1 12 . 1 1 68 68 THR H H 59 8.287 8.287 8.415 -0.128 18220
6036 1 12 . 1 1 69 69 ALA N N 60 123.621 123.621 124.910 -1.289 18220
6037 1 12 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.074 0.206 18220
6038 1 12 . 1 1 69 69 ALA C C 60 176.978 176.978 178.930 -1.952 18220
6039 1 12 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.460 -0.360 18220
6040 1 12 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.313 -0.585 18220
6041 1 12 . 1 1 69 69 ALA H H 60 7.983 7.983 8.751 -0.768 18220
6042 1 12 . 1 1 70 70 PHE N N 61 118.520 118.520 118.709 -0.189 18220
6043 1 12 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.108 0.152 18220
6044 1 12 . 1 1 70 70 PHE C C 61 175.369 175.369 177.689 -2.320 18220
6045 1 12 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.696 -2.517 18220
6046 1 12 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.006 -0.300 18220
6047 1 12 . 1 1 70 70 PHE H H 61 8.007 8.007 8.406 -0.399 18220
6048 1 12 . 1 1 71 71 PHE N N 62 122.314 122.314 119.837 2.477 18220
6049 1 12 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.177 -0.177 18220
6050 1 12 . 1 1 71 71 PHE C C 62 174.697 174.697 177.348 -2.651 18220
6051 1 12 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.284 -0.767 18220
6052 1 12 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.065 -0.295 18220
6053 1 12 . 1 1 71 71 PHE H H 62 8.546 8.546 8.278 0.268 18220
6054 1 12 . 1 1 72 72 LEU N N 63 119.399 119.399 120.986 -1.587 18220
6055 1 12 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.613 0.257 18220
6056 1 12 . 1 1 72 72 LEU C C 63 175.774 175.774 178.522 -2.748 18220
6057 1 12 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.863 -1.938 18220
6058 1 12 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.891 -0.684 18220
6059 1 12 . 1 1 72 72 LEU H H 63 8.396 8.396 8.630 -0.234 18220
6060 1 12 . 1 1 73 73 ALA N N 64 120.221 120.221 119.780 0.441 18220
6061 1 12 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.476 0.484 18220
6062 1 12 . 1 1 73 73 ALA C C 64 177.267 177.267 179.432 -2.165 18220
6063 1 12 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.358 -0.758 18220
6064 1 12 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.989 -0.205 18220
6065 1 12 . 1 1 73 73 ALA H H 64 8.025 8.025 8.352 -0.327 18220
6066 1 12 . 1 1 74 74 THR N N 65 113.648 113.648 114.175 -0.527 18220
6067 1 12 . 1 1 74 74 THR HA H 65 3.980 3.980 3.906 0.074 18220
6068 1 12 . 1 1 74 74 THR CA C 65 66.291 66.291 65.929 0.362 18220
6069 1 12 . 1 1 74 74 THR CB C 65 67.914 67.914 68.519 -0.605 18220
6070 1 12 . 1 1 74 74 THR H H 65 7.717 7.717 7.978 -0.261 18220
6071 1 12 . 1 1 75 75 ILE N N 66 120.291 120.291 119.489 0.802 18220
6072 1 12 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.688 0.052 18220
6073 1 12 . 1 1 75 75 ILE C C 66 174.951 174.951 176.663 -1.712 18220
6074 1 12 . 1 1 75 75 ILE CA C 66 64.880 64.880 61.675 3.204 18220
6075 1 12 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.081 0.084 18220
6076 1 12 . 1 1 75 75 ILE H H 66 7.738 7.738 7.796 -0.058 18220
6077 1 12 . 1 1 76 76 MET N N 67 117.618 117.618 116.468 1.150 18220
6078 1 12 . 1 1 76 76 MET HA H 67 4.220 4.220 3.939 0.281 18220
6079 1 12 . 1 1 76 76 MET C C 67 175.142 175.142 177.287 -2.145 18220
6080 1 12 . 1 1 76 76 MET CA C 67 56.723 56.723 57.194 -0.471 18220
6081 1 12 . 1 1 76 76 MET CB C 67 31.951 31.951 32.707 -0.756 18220
6082 1 12 . 1 1 76 76 MET H H 67 7.823 7.823 7.654 0.169 18220
6083 1 12 . 1 1 77 77 GLY N N 68 107.110 107.110 106.519 0.591 18220
6084 1 12 . 1 1 77 77 GLY C C 68 172.260 172.260 173.385 -1.125 18220
6085 1 12 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.177 0.623 18220
6086 1 12 . 1 1 77 77 GLY H H 68 7.937 7.937 8.193 -0.256 18220
6087 1 12 . 1 1 78 78 VAL N N 69 120.431 120.431 116.930 3.501 18220
6088 1 12 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.647 -0.427 18220
6089 1 12 . 1 1 78 78 VAL CA C 69 63.900 63.900 60.804 3.096 18220
6090 1 12 . 1 1 78 78 VAL CB C 69 31.506 31.506 32.097 -0.591 18220
6091 1 12 . 1 1 78 78 VAL H H 69 7.697 7.697 8.239 -0.542 18220
6092 1 12 . 1 1 79 79 ARG N N 70 121.420 121.420 121.092 0.328 18220
6093 1 12 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.496 -0.686 18220
6094 1 12 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.991 0.409 18220
6095 1 12 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.107 -0.010 18220
6096 1 12 . 1 1 79 79 ARG H H 70 7.889 7.889 8.314 -0.425 18220
6097 1 12 . 1 1 80 80 PHE N N 71 119.949 119.949 116.899 3.050 18220
6098 1 12 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.643 -0.133 18220
6099 1 12 . 1 1 80 80 PHE CA C 71 58.600 58.600 56.527 2.073 18220
6100 1 12 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.057 0.088 18220
6101 1 12 . 1 1 80 80 PHE H H 71 8.101 8.101 8.066 0.035 18220
6102 1 12 . 1 1 81 81 LYS N N 72 122.193 122.193 121.163 1.030 18220
6103 1 12 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.401 1.399 18220
6104 1 12 . 1 1 81 81 LYS CB C 72 32.322 32.322 32.751 -0.429 18220
6105 1 12 . 1 1 81 81 LYS H H 72 8.090 8.090 7.464 0.626 18220
6106 1 12 . 1 1 82 82 ARG N N 73 119.650 119.650 118.565 1.085 18220
6107 1 12 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.758 -0.669 18220
6108 1 12 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.920 -0.749 18220
6109 1 12 . 1 1 82 82 ARG H H 73 8.052 8.052 8.320 -0.268 18220
6110 1 12 . 1 1 83 83 SER N N 74 115.734 115.734 114.513 1.221 18220
6111 1 12 . 1 1 83 83 SER CA C 74 58.355 58.355 58.157 0.198 18220
6112 1 12 . 1 1 83 83 SER CB C 74 63.404 63.404 64.019 -0.615 18220
6113 1 12 . 1 1 83 83 SER H H 74 7.912 7.912 7.679 0.233 18220
6114 1 12 . 1 1 84 84 LYS N N 75 122.370 122.370 121.073 1.297 18220
6115 1 12 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.039 0.096 18220
6116 1 12 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.534 -1.359 18220
6117 1 12 . 1 1 84 84 LYS H H 75 8.067 8.067 8.245 -0.178 18220
6118 1 12 . 1 1 86 86 ILE N N 77 119.592 119.592 119.425 0.167 18220
6119 1 12 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.078 -0.268 18220
6120 1 12 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.533 2.366 18220
6121 1 12 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.670 0.475 18220
6122 1 12 . 1 1 86 86 ILE H H 77 7.837 7.837 7.931 -0.094 18220
6123 1 12 . 1 1 87 87 MET N N 78 121.645 121.645 117.798 3.847 18220
6124 1 12 . 1 1 87 87 MET CA C 78 52.982 52.982 52.314 0.668 18220
6125 1 12 . 1 1 87 87 MET CB C 78 32.173 32.173 35.154 -2.981 18220
6126 1 12 . 1 1 87 87 MET H H 78 7.950 7.950 7.562 0.388 18220
6127 1 12 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.564 -0.424 18220
6128 1 12 . 1 1 88 88 PRO C C 79 173.921 173.921 177.106 -3.185 18220
6129 1 12 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.080 0.720 18220
6130 1 12 . 1 1 88 88 PRO CB C 79 31.136 31.136 32.703 -1.567 18220
6131 1 12 . 1 1 89 89 ALA N N 80 124.431 124.431 127.085 -2.654 18220
6132 1 12 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.989 0.411 18220
6133 1 12 . 1 1 89 89 ALA C C 80 176.234 176.234 179.306 -3.072 18220
6134 1 12 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.864 -1.565 18220
6135 1 12 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.680 -0.182 18220
6136 1 12 . 1 1 89 89 ALA H H 80 8.320 8.320 8.469 -0.149 18220
6137 1 12 . 1 1 90 90 GLY N N 81 106.834 106.834 107.715 -0.881 18220
6138 1 12 . 1 1 90 90 GLY C C 81 172.398 172.398 176.080 -3.682 18220
6139 1 12 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.312 -1.712 18220
6140 1 12 . 1 1 90 90 GLY H H 81 8.458 8.458 8.365 0.093 18220
6141 1 12 . 1 1 91 91 LEU N N 82 121.043 121.043 121.096 -0.053 18220
6142 1 12 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.987 0.213 18220
6143 1 12 . 1 1 91 91 LEU C C 82 174.783 174.783 178.393 -3.610 18220
6144 1 12 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.455 -1.155 18220
6145 1 12 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.132 -0.026 18220
6146 1 12 . 1 1 91 91 LEU H H 82 7.687 7.687 7.650 0.037 18220
6147 1 12 . 1 1 92 92 VAL N N 83 114.737 114.737 118.471 -3.734 18220
6148 1 12 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.500 0.480 18220
6149 1 12 . 1 1 92 92 VAL C C 83 173.634 173.634 177.730 -4.096 18220
6150 1 12 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.727 -4.327 18220
6151 1 12 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.389 0.196 18220
6152 1 12 . 1 1 92 92 VAL H H 83 7.602 7.602 7.727 -0.125 18220
6153 1 12 . 1 1 93 93 ALA N N 84 124.320 124.320 121.501 2.819 18220
6154 1 12 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.135 0.015 18220
6155 1 12 . 1 1 93 93 ALA C C 84 175.746 175.746 179.715 -3.969 18220
6156 1 12 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.196 -1.896 18220
6157 1 12 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.916 0.325 18220
6158 1 12 . 1 1 93 93 ALA H H 84 7.891 7.891 8.126 -0.235 18220
6159 1 12 . 1 1 94 94 GLY N N 85 106.807 106.807 108.399 -1.592 18220
6160 1 12 . 1 1 94 94 GLY C C 85 171.752 171.752 175.631 -3.879 18220
6161 1 12 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.671 -1.422 18220
6162 1 12 . 1 1 94 94 GLY H H 85 8.204 8.204 8.037 0.167 18220
6163 1 12 . 1 1 95 95 LEU N N 86 121.266 121.266 122.540 -1.274 18220
6164 1 12 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.057 0.323 18220
6165 1 12 . 1 1 95 95 LEU C C 86 173.702 173.702 178.812 -5.110 18220
6166 1 12 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.621 -2.621 18220
6167 1 12 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.961 0.337 18220
6168 1 12 . 1 1 95 95 LEU H H 86 7.718 7.718 8.393 -0.675 18220
6169 1 12 . 1 1 96 96 SER N N 87 115.658 115.658 115.141 0.517 18220
6170 1 12 . 1 1 96 96 SER HA H 87 4.370 4.370 4.096 0.274 18220
6171 1 12 . 1 1 96 96 SER C C 87 172.479 172.479 176.491 -4.012 18220
6172 1 12 . 1 1 96 96 SER CA C 87 57.200 57.200 62.056 -4.856 18220
6173 1 12 . 1 1 96 96 SER CB C 87 64.174 64.174 63.043 1.131 18220
6174 1 12 . 1 1 96 96 SER H H 87 7.659 7.659 7.977 -0.318 18220
6175 1 12 . 1 1 97 97 LEU N N 88 123.720 123.720 122.375 1.345 18220
6176 1 12 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.910 0.690 18220
6177 1 12 . 1 1 97 97 LEU C C 88 175.932 175.932 178.630 -2.698 18220
6178 1 12 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.280 -0.680 18220
6179 1 12 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.911 -0.511 18220
6180 1 12 . 1 1 97 97 LEU H H 88 8.733 8.733 8.001 0.732 18220
6181 1 12 . 1 1 98 98 MET N N 89 116.684 116.684 117.671 -0.987 18220
6182 1 12 . 1 1 98 98 MET HA H 89 4.280 4.280 3.979 0.301 18220
6183 1 12 . 1 1 98 98 MET C C 89 175.789 175.789 178.558 -2.769 18220
6184 1 12 . 1 1 98 98 MET CA C 89 56.915 56.915 59.694 -2.779 18220
6185 1 12 . 1 1 98 98 MET CB C 89 31.007 31.007 32.621 -1.614 18220
6186 1 12 . 1 1 98 98 MET H H 89 8.342 8.342 8.067 0.275 18220
6187 1 12 . 1 1 99 99 MET N N 90 119.182 119.182 120.049 -0.867 18220
6188 1 12 . 1 1 99 99 MET HA H 90 4.110 4.110 4.054 0.056 18220
6189 1 12 . 1 1 99 99 MET C C 90 175.588 175.588 178.443 -2.855 18220
6190 1 12 . 1 1 99 99 MET CA C 90 57.951 57.951 59.167 -1.216 18220
6191 1 12 . 1 1 99 99 MET CB C 90 32.226 32.226 32.385 -0.159 18220
6192 1 12 . 1 1 99 99 MET H H 90 7.720 7.720 7.998 -0.278 18220
6193 1 12 . 1 1 100 100 ILE N N 91 119.077 119.077 120.147 -1.070 18220
6194 1 12 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.591 0.519 18220
6195 1 12 . 1 1 100 100 ILE C C 91 174.634 174.634 178.188 -3.554 18220
6196 1 12 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.434 -1.334 18220
6197 1 12 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.594 -0.451 18220
6198 1 12 . 1 1 100 100 ILE H H 91 7.662 7.662 8.330 -0.668 18220
6199 1 12 . 1 1 101 101 LEU N N 92 119.646 119.646 118.429 1.217 18220
6200 1 12 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.977 0.553 18220
6201 1 12 . 1 1 101 101 LEU C C 92 175.430 175.430 179.518 -4.088 18220
6202 1 12 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.866 -0.066 18220
6203 1 12 . 1 1 101 101 LEU CB C 92 40.758 40.758 40.541 0.217 18220
6204 1 12 . 1 1 101 101 LEU H H 92 8.142 8.142 8.002 0.140 18220
6205 1 12 . 1 1 102 102 ARG N N 93 116.394 116.394 119.653 -3.259 18220
6206 1 12 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.085 0.055 18220
6207 1 12 . 1 1 102 102 ARG C C 93 175.961 175.961 178.708 -2.747 18220
6208 1 12 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.841 0.259 18220
6209 1 12 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.860 -0.456 18220
6210 1 12 . 1 1 102 102 ARG H H 93 7.893 7.893 7.923 -0.030 18220
6211 1 12 . 1 1 103 103 LEU N N 94 119.114 119.114 120.781 -1.667 18220
6212 1 12 . 1 1 103 103 LEU HA H 94 4.110 4.110 3.988 0.122 18220
6213 1 12 . 1 1 103 103 LEU C C 94 175.889 175.889 179.569 -3.680 18220
6214 1 12 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.339 -1.039 18220
6215 1 12 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.913 -0.617 18220
6216 1 12 . 1 1 103 103 LEU H H 94 7.622 7.622 8.077 -0.455 18220
6217 1 12 . 1 1 104 104 VAL N N 95 117.704 117.704 118.516 -0.812 18220
6218 1 12 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.575 -0.045 18220
6219 1 12 . 1 1 104 104 VAL C C 95 175.042 175.042 177.860 -2.818 18220
6220 1 12 . 1 1 104 104 VAL CA C 95 66.419 66.419 66.424 -0.005 18220
6221 1 12 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.856 -0.499 18220
6222 1 12 . 1 1 104 104 VAL H H 95 8.026 8.026 7.480 0.546 18220
6223 1 12 . 1 1 105 105 LEU N N 96 117.185 117.185 120.095 -2.910 18220
6224 1 12 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.909 0.071 18220
6225 1 12 . 1 1 105 105 LEU C C 96 176.579 176.579 178.594 -2.015 18220
6226 1 12 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.815 -1.015 18220
6227 1 12 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.874 -0.923 18220
6228 1 12 . 1 1 105 105 LEU H H 96 7.893 7.893 7.714 0.179 18220
6229 1 12 . 1 1 106 106 LEU N N 97 118.471 118.471 119.343 -0.872 18220
6230 1 12 . 1 1 106 106 LEU HA H 97 4.180 4.180 4.035 0.145 18220
6231 1 12 . 1 1 106 106 LEU C C 97 175.802 175.802 178.695 -2.893 18220
6232 1 12 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.243 -0.943 18220
6233 1 12 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.212 0.380 18220
6234 1 12 . 1 1 106 106 LEU H H 97 7.545 7.545 7.771 -0.226 18220
6235 1 12 . 1 1 107 107 LEU N N 98 118.162 118.162 118.103 0.059 18220
6236 1 12 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.019 0.211 18220
6237 1 12 . 1 1 107 107 LEU C C 98 174.174 174.174 178.211 -4.037 18220
6238 1 12 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.890 -0.607 18220
6239 1 12 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.370 -0.008 18220
6240 1 12 . 1 1 107 107 LEU H H 98 7.688 7.688 7.860 -0.172 18220
6241 1 13 . 1 1 11 11 ASP N N 2 120.536 120.536 125.622 -5.086 18220
6242 1 13 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.030 1.888 18220
6243 1 13 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.696 -3.737 18220
6244 1 13 . 1 1 11 11 ASP H H 2 7.863 7.863 8.633 -0.770 18220
6245 1 13 . 1 1 12 12 LEU N N 3 121.414 121.414 124.572 -3.158 18220
6246 1 13 . 1 1 12 12 LEU C C 3 176.162 176.162 176.368 -0.206 18220
6247 1 13 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.017 2.583 18220
6248 1 13 . 1 1 12 12 LEU CB C 3 41.657 41.657 43.589 -1.932 18220
6249 1 13 . 1 1 12 12 LEU H H 3 8.285 8.285 8.571 -0.286 18220
6250 1 13 . 1 1 13 13 ILE N N 4 118.854 118.854 115.360 3.494 18220
6251 1 13 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.924 -0.184 18220
6252 1 13 . 1 1 13 13 ILE C C 4 175.228 175.228 175.077 0.151 18220
6253 1 13 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.944 2.557 18220
6254 1 13 . 1 1 13 13 ILE CB C 4 37.102 37.102 36.691 0.411 18220
6255 1 13 . 1 1 13 13 ILE H H 4 8.031 8.031 8.038 -0.007 18220
6256 1 13 . 1 1 14 14 GLY N N 5 107.478 107.478 107.936 -0.458 18220
6257 1 13 . 1 1 14 14 GLY C C 5 174.424 174.424 173.976 0.448 18220
6258 1 13 . 1 1 14 14 GLY CA C 5 47.059 47.059 44.854 2.205 18220
6259 1 13 . 1 1 14 14 GLY H H 5 8.148 8.148 8.035 0.113 18220
6260 1 13 . 1 1 15 15 PHE N N 6 122.774 122.774 123.732 -0.958 18220
6261 1 13 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.544 -0.064 18220
6262 1 13 . 1 1 15 15 PHE C C 6 175.113 175.113 177.127 -2.014 18220
6263 1 13 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.898 0.119 18220
6264 1 13 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.610 -0.836 18220
6265 1 13 . 1 1 15 15 PHE H H 6 8.194 8.194 8.593 -0.399 18220
6266 1 13 . 1 1 16 16 GLY N N 7 107.938 107.938 108.187 -0.249 18220
6267 1 13 . 1 1 16 16 GLY C C 7 171.838 171.838 175.975 -4.137 18220
6268 1 13 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.591 -0.491 18220
6269 1 13 . 1 1 16 16 GLY H H 7 8.697 8.697 8.585 0.112 18220
6270 1 13 . 1 1 17 17 TYR N N 8 121.785 121.785 123.185 -1.400 18220
6271 1 13 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.112 0.038 18220
6272 1 13 . 1 1 17 17 TYR C C 8 174.180 174.180 177.686 -3.506 18220
6273 1 13 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.248 0.052 18220
6274 1 13 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.311 -0.352 18220
6275 1 13 . 1 1 17 17 TYR H H 8 8.710 8.710 8.382 0.328 18220
6276 1 13 . 1 1 18 18 ALA N N 9 120.233 120.233 121.175 -0.942 18220
6277 1 13 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.898 0.052 18220
6278 1 13 . 1 1 18 18 ALA C C 9 178.059 178.059 178.862 -0.803 18220
6279 1 13 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.029 -0.157 18220
6280 1 13 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.779 -0.217 18220
6281 1 13 . 1 1 18 18 ALA H H 9 7.843 7.843 8.172 -0.329 18220
6282 1 13 . 1 1 19 19 ALA N N 10 121.797 121.797 120.981 0.816 18220
6283 1 13 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.213 -0.263 18220
6284 1 13 . 1 1 19 19 ALA C C 10 176.191 176.191 179.758 -3.567 18220
6285 1 13 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.724 -0.124 18220
6286 1 13 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.383 -0.821 18220
6287 1 13 . 1 1 19 19 ALA H H 10 8.212 8.212 8.011 0.201 18220
6288 1 13 . 1 1 20 20 LEU N N 11 119.442 119.442 120.709 -1.267 18220
6289 1 13 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.034 -0.097 18220
6290 1 13 . 1 1 20 20 LEU C C 11 176.694 176.694 178.564 -1.870 18220
6291 1 13 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.031 -0.231 18220
6292 1 13 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.150 -0.928 18220
6293 1 13 . 1 1 20 20 LEU H H 11 8.065 8.065 7.895 0.170 18220
6294 1 13 . 1 1 21 21 VAL N N 12 118.323 118.323 119.314 -0.991 18220
6295 1 13 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.465 0.175 18220
6296 1 13 . 1 1 21 21 VAL C C 12 176.536 176.536 177.927 -1.391 18220
6297 1 13 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.672 -2.272 18220
6298 1 13 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.260 -0.125 18220
6299 1 13 . 1 1 21 21 VAL H H 12 8.051 8.051 8.531 -0.480 18220
6300 1 13 . 1 1 22 22 THR N N 13 118.298 118.298 116.483 1.815 18220
6301 1 13 . 1 1 22 22 THR HA H 13 4.660 4.660 3.883 0.777 18220
6302 1 13 . 1 1 22 22 THR C C 13 173.734 173.734 176.552 -2.818 18220
6303 1 13 . 1 1 22 22 THR CA C 13 66.300 66.300 67.010 -0.710 18220
6304 1 13 . 1 1 22 22 THR CB C 13 67.775 67.775 68.765 -0.990 18220
6305 1 13 . 1 1 22 22 THR H H 13 7.944 7.944 8.066 -0.121 18220
6306 1 13 . 1 1 23 23 PHE N N 14 121.328 121.328 121.836 -0.508 18220
6307 1 13 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.046 0.294 18220
6308 1 13 . 1 1 23 23 PHE C C 14 174.783 174.783 177.565 -2.782 18220
6309 1 13 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.513 -1.013 18220
6310 1 13 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.801 -0.175 18220
6311 1 13 . 1 1 23 23 PHE H H 14 8.567 8.567 8.309 0.258 18220
6312 1 13 . 1 1 24 24 GLY N N 15 106.871 106.871 106.429 0.442 18220
6313 1 13 . 1 1 24 24 GLY C C 15 172.858 172.858 176.181 -3.323 18220
6314 1 13 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.196 -0.296 18220
6315 1 13 . 1 1 24 24 GLY H H 15 8.475 8.475 8.609 -0.134 18220
6316 1 13 . 1 1 25 25 SER N N 16 116.214 116.214 118.012 -1.798 18220
6317 1 13 . 1 1 25 25 SER HA H 16 4.280 4.280 4.149 0.131 18220
6318 1 13 . 1 1 25 25 SER CA C 16 60.300 60.300 61.650 -1.350 18220
6319 1 13 . 1 1 25 25 SER CB C 16 62.879 62.879 62.991 -0.112 18220
6320 1 13 . 1 1 25 25 SER H H 16 7.963 7.963 8.443 -0.480 18220
6321 1 13 . 1 1 26 26 ILE N N 17 121.024 121.024 121.681 -0.657 18220
6322 1 13 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.617 0.329 18220
6323 1 13 . 1 1 26 26 ILE C C 17 173.935 173.935 177.482 -3.547 18220
6324 1 13 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.843 -1.743 18220
6325 1 13 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.047 0.060 18220
6326 1 13 . 1 1 26 26 ILE H H 17 7.676 7.676 8.177 -0.501 18220
6327 1 13 . 1 1 27 27 PHE N N 18 117.142 117.142 118.586 -1.444 18220
6328 1 13 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.092 0.338 18220
6329 1 13 . 1 1 27 27 PHE C C 18 173.504 173.504 177.354 -3.850 18220
6330 1 13 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.624 -2.124 18220
6331 1 13 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.880 -0.106 18220
6332 1 13 . 1 1 27 27 PHE H H 18 7.703 7.703 7.971 -0.268 18220
6333 1 13 . 1 1 28 28 GLY N N 19 107.303 107.303 104.036 3.267 18220
6334 1 13 . 1 1 28 28 GLY C C 19 171.593 171.593 173.957 -2.364 18220
6335 1 13 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.054 0.546 18220
6336 1 13 . 1 1 28 28 GLY H H 19 7.722 7.722 7.739 -0.017 18220
6337 1 13 . 1 1 29 29 TYR N N 20 119.862 119.862 118.880 0.982 18220
6338 1 13 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.105 0.287 18220
6339 1 13 . 1 1 29 29 TYR C C 20 173.174 173.174 174.533 -1.359 18220
6340 1 13 . 1 1 29 29 TYR CA C 20 58.500 58.500 59.007 -0.507 18220
6341 1 13 . 1 1 29 29 TYR CB C 20 38.404 38.404 38.410 -0.006 18220
6342 1 13 . 1 1 29 29 TYR H H 20 7.880 7.880 7.816 0.064 18220
6343 1 13 . 1 1 30 30 LYS N N 21 122.335 122.335 125.391 -3.056 18220
6344 1 13 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.588 -0.198 18220
6345 1 13 . 1 1 30 30 LYS C C 21 173.547 173.547 176.544 -2.997 18220
6346 1 13 . 1 1 30 30 LYS CA C 21 55.800 55.800 55.118 0.682 18220
6347 1 13 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.613 -1.217 18220
6348 1 13 . 1 1 30 30 LYS H H 21 7.934 7.934 8.041 -0.107 18220
6349 1 13 . 1 1 31 31 ARG N N 22 120.612 120.612 120.389 0.223 18220
6350 1 13 . 1 1 31 31 ARG C C 22 173.547 173.547 176.609 -3.062 18220
6351 1 13 . 1 1 31 31 ARG CA C 22 55.834 55.834 57.812 -1.978 18220
6352 1 13 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.786 -0.685 18220
6353 1 13 . 1 1 31 31 ARG H H 22 7.905 7.905 8.582 -0.677 18220
6354 1 13 . 1 1 32 32 ARG N N 23 121.748 121.748 115.639 6.109 18220
6355 1 13 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.251 0.059 18220
6356 1 13 . 1 1 32 32 ARG C C 23 173.863 173.863 174.348 -0.485 18220
6357 1 13 . 1 1 32 32 ARG CA C 23 55.800 55.800 55.754 0.046 18220
6358 1 13 . 1 1 32 32 ARG CB C 23 30.245 30.245 31.291 -1.046 18220
6359 1 13 . 1 1 32 32 ARG H H 23 8.175 8.175 7.784 0.391 18220
6360 1 13 . 1 1 33 33 GLY N N 24 109.528 109.528 108.418 1.110 18220
6361 1 13 . 1 1 33 33 GLY C C 24 171.752 171.752 173.430 -1.678 18220
6362 1 13 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.674 0.226 18220
6363 1 13 . 1 1 33 33 GLY H H 24 8.264 8.264 8.204 0.060 18220
6364 1 13 . 1 1 34 34 GLY N N 25 108.563 108.563 108.748 -0.185 18220
6365 1 13 . 1 1 34 34 GLY C C 25 171.701 171.701 173.168 -1.467 18220
6366 1 13 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.542 -0.942 18220
6367 1 13 . 1 1 34 34 GLY H H 25 8.208 8.208 7.951 0.257 18220
6368 1 13 . 1 1 35 35 VAL N N 26 121.164 121.164 117.708 3.456 18220
6369 1 13 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.561 -0.551 18220
6370 1 13 . 1 1 35 35 VAL C C 26 175.888 175.888 173.552 2.336 18220
6371 1 13 . 1 1 35 35 VAL CA C 26 63.900 63.900 59.483 4.417 18220
6372 1 13 . 1 1 35 35 VAL CB C 26 30.690 30.690 33.722 -3.032 18220
6373 1 13 . 1 1 35 35 VAL H H 26 8.485 8.485 7.565 0.920 18220
6374 1 13 . 1 1 36 36 PRO C C 27 177.660 177.660 177.020 0.640 18220
6375 1 13 . 1 1 36 36 PRO CA C 27 61.847 61.847 64.125 -2.278 18220
6376 1 13 . 1 1 37 37 SER N N 28 116.023 116.023 115.108 0.915 18220
6377 1 13 . 1 1 37 37 SER HA H 28 4.280 4.280 4.452 -0.172 18220
6378 1 13 . 1 1 37 37 SER CA C 28 61.100 61.100 60.096 1.004 18220
6379 1 13 . 1 1 37 37 SER H H 28 7.948 7.948 7.787 0.161 18220
6380 1 13 . 1 1 38 38 LEU N N 29 124.029 124.029 123.542 0.487 18220
6381 1 13 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.992 0.178 18220
6382 1 13 . 1 1 38 38 LEU C C 29 176.132 176.132 178.239 -2.107 18220
6383 1 13 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.010 -0.510 18220
6384 1 13 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.872 0.166 18220
6385 1 13 . 1 1 38 38 LEU H H 29 8.201 8.201 8.015 0.186 18220
6386 1 13 . 1 1 39 39 ILE N N 30 117.098 117.098 116.117 0.981 18220
6387 1 13 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.655 0.715 18220
6388 1 13 . 1 1 39 39 ILE C C 30 176.478 176.478 177.395 -0.917 18220
6389 1 13 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.793 -1.714 18220
6390 1 13 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.548 0.425 18220
6391 1 13 . 1 1 39 39 ILE H H 30 7.662 7.662 7.591 0.071 18220
6392 1 13 . 1 1 40 40 ALA N N 31 122.447 122.447 122.627 -0.180 18220
6393 1 13 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.048 -0.014 18220
6394 1 13 . 1 1 40 40 ALA C C 31 177.067 177.067 179.965 -2.898 18220
6395 1 13 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.230 0.732 18220
6396 1 13 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.627 0.229 18220
6397 1 13 . 1 1 40 40 ALA H H 31 8.096 8.096 8.021 0.075 18220
6398 1 13 . 1 1 41 41 GLY N N 32 104.056 104.056 106.646 -2.590 18220
6399 1 13 . 1 1 41 41 GLY C C 32 174.251 174.251 176.037 -1.786 18220
6400 1 13 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.679 -0.179 18220
6401 1 13 . 1 1 41 41 GLY H H 32 8.123 8.123 8.172 -0.049 18220
6402 1 13 . 1 1 42 42 LEU N N 33 123.250 123.250 123.266 -0.016 18220
6403 1 13 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.244 -0.387 18220
6404 1 13 . 1 1 42 42 LEU C C 33 176.033 176.033 177.823 -1.790 18220
6405 1 13 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.558 -0.890 18220
6406 1 13 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.191 -0.470 18220
6407 1 13 . 1 1 42 42 LEU H H 33 7.914 7.914 8.000 -0.086 18220
6408 1 13 . 1 1 43 43 PHE N N 34 119.757 119.757 119.904 -0.147 18220
6409 1 13 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.140 0.060 18220
6410 1 13 . 1 1 43 43 PHE C C 34 174.374 174.374 177.128 -2.754 18220
6411 1 13 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.249 -2.373 18220
6412 1 13 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.287 -0.453 18220
6413 1 13 . 1 1 43 43 PHE H H 34 8.287 8.287 8.655 -0.368 18220
6414 1 13 . 1 1 44 44 VAL N N 35 117.791 117.791 119.283 -1.492 18220
6415 1 13 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.735 -0.125 18220
6416 1 13 . 1 1 44 44 VAL C C 35 176.205 176.205 177.671 -1.466 18220
6417 1 13 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.630 -2.071 18220
6418 1 13 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.865 -0.433 18220
6419 1 13 . 1 1 44 44 VAL H H 35 8.235 8.235 8.590 -0.355 18220
6420 1 13 . 1 1 45 45 GLY N N 36 108.551 108.551 107.094 1.457 18220
6421 1 13 . 1 1 45 45 GLY C C 36 173.749 173.749 175.553 -1.804 18220
6422 1 13 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.472 -1.389 18220
6423 1 13 . 1 1 45 45 GLY H H 36 8.178 8.178 8.205 -0.027 18220
6424 1 13 . 1 1 46 46 CYS N N 37 121.173 121.173 120.775 0.398 18220
6425 1 13 . 1 1 46 46 CYS HA H 37 4.180 4.180 3.966 0.214 18220
6426 1 13 . 1 1 46 46 CYS C C 37 173.710 173.710 176.568 -2.858 18220
6427 1 13 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.077 -1.077 18220
6428 1 13 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.994 32.289 18220
6429 1 13 . 1 1 46 46 CYS H H 37 8.253 8.253 7.956 0.297 18220
6430 1 13 . 1 1 47 47 LEU N N 38 120.283 120.283 121.090 -0.807 18220
6431 1 13 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.717 0.343 18220
6432 1 13 . 1 1 47 47 LEU C C 38 176.679 176.679 178.240 -1.561 18220
6433 1 13 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.352 -2.325 18220
6434 1 13 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.940 -0.476 18220
6435 1 13 . 1 1 47 47 LEU H H 38 7.965 7.965 8.000 -0.035 18220
6436 1 13 . 1 1 48 48 ALA N N 39 122.249 122.249 119.281 2.968 18220
6437 1 13 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.910 0.232 18220
6438 1 13 . 1 1 48 48 ALA C C 39 177.915 177.915 179.842 -1.927 18220
6439 1 13 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.280 -1.563 18220
6440 1 13 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.013 -0.028 18220
6441 1 13 . 1 1 48 48 ALA H H 39 8.066 8.066 8.327 -0.261 18220
6442 1 13 . 1 1 49 49 GLY N N 40 107.377 107.377 107.167 0.210 18220
6443 1 13 . 1 1 49 49 GLY C C 40 172.527 172.527 175.499 -2.972 18220
6444 1 13 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.902 -1.452 18220
6445 1 13 . 1 1 49 49 GLY H H 40 8.172 8.172 8.129 0.043 18220
6446 1 13 . 1 1 50 50 TYR N N 41 122.409 122.409 124.230 -1.821 18220
6447 1 13 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.024 -0.225 18220
6448 1 13 . 1 1 50 50 TYR C C 41 174.208 174.208 178.091 -3.883 18220
6449 1 13 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.989 -1.744 18220
6450 1 13 . 1 1 50 50 TYR CB C 41 37.936 37.936 37.880 0.056 18220
6451 1 13 . 1 1 50 50 TYR H H 41 7.800 7.800 8.251 -0.451 18220
6452 1 13 . 1 1 51 51 GLY N N 42 106.935 106.935 105.721 1.214 18220
6453 1 13 . 1 1 51 51 GLY C C 42 172.642 172.642 175.448 -2.806 18220
6454 1 13 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.854 -0.589 18220
6455 1 13 . 1 1 51 51 GLY H H 42 8.199 8.199 8.171 0.028 18220
6456 1 13 . 1 1 52 52 ALA N N 43 123.018 123.018 124.833 -1.815 18220
6457 1 13 . 1 1 52 52 ALA HA H 43 4.150 4.150 3.889 0.261 18220
6458 1 13 . 1 1 52 52 ALA C C 43 176.398 176.398 178.481 -2.083 18220
6459 1 13 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.741 -1.858 18220
6460 1 13 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.402 -0.161 18220
6461 1 13 . 1 1 52 52 ALA H H 43 7.758 7.758 8.263 -0.505 18220
6462 1 13 . 1 1 53 53 TYR N N 44 119.664 119.664 118.356 1.308 18220
6463 1 13 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.223 0.095 18220
6464 1 13 . 1 1 53 53 TYR C C 44 174.180 174.180 177.596 -3.416 18220
6465 1 13 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.288 -2.695 18220
6466 1 13 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.759 -0.567 18220
6467 1 13 . 1 1 53 53 TYR H H 44 7.920 7.920 8.109 -0.189 18220
6468 1 13 . 1 1 54 54 ARG N N 45 119.516 119.516 118.201 1.315 18220
6469 1 13 . 1 1 54 54 ARG HA H 45 3.930 3.930 3.937 -0.007 18220
6470 1 13 . 1 1 54 54 ARG C C 45 174.423 174.423 177.902 -3.479 18220
6471 1 13 . 1 1 54 54 ARG CA C 45 56.027 56.027 58.820 -2.793 18220
6472 1 13 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.376 -0.203 18220
6473 1 13 . 1 1 54 54 ARG H H 45 7.956 7.956 7.755 0.201 18220
6474 1 13 . 1 1 55 55 VAL N N 46 116.437 116.437 117.029 -0.592 18220
6475 1 13 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.950 0.110 18220
6476 1 13 . 1 1 55 55 VAL C C 46 173.806 173.806 175.492 -1.686 18220
6477 1 13 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.060 -0.761 18220
6478 1 13 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.541 -1.020 18220
6479 1 13 . 1 1 55 55 VAL H H 46 7.489 7.489 8.213 -0.724 18220
6480 1 13 . 1 1 56 56 SER N N 47 117.185 117.185 114.832 2.353 18220
6481 1 13 . 1 1 56 56 SER HA H 47 4.401 4.401 4.180 0.221 18220
6482 1 13 . 1 1 56 56 SER C C 47 172.074 172.074 173.566 -1.492 18220
6483 1 13 . 1 1 56 56 SER CA C 47 58.133 58.133 59.244 -1.111 18220
6484 1 13 . 1 1 56 56 SER CB C 47 63.468 63.468 62.462 1.006 18220
6485 1 13 . 1 1 56 56 SER H H 47 7.728 7.728 7.956 -0.228 18220
6486 1 13 . 1 1 57 57 ASN N N 48 121.049 121.049 120.873 0.176 18220
6487 1 13 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.663 -0.073 18220
6488 1 13 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.983 -0.383 18220
6489 1 13 . 1 1 57 57 ASN CB C 48 38.641 38.641 40.811 -2.170 18220
6490 1 13 . 1 1 57 57 ASN H H 48 8.228 8.228 8.536 -0.308 18220
6491 1 13 . 1 1 58 58 ASP N N 49 120.276 120.276 120.613 -0.337 18220
6492 1 13 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.701 -0.171 18220
6493 1 13 . 1 1 58 58 ASP CA C 49 54.202 54.202 53.415 0.787 18220
6494 1 13 . 1 1 58 58 ASP CB C 49 40.374 40.374 40.936 -0.562 18220
6495 1 13 . 1 1 58 58 ASP H H 49 8.192 8.192 8.223 -0.031 18220
6496 1 13 . 1 1 59 59 LYS N N 50 120.660 120.660 121.824 -1.164 18220
6497 1 13 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.920 0.280 18220
6498 1 13 . 1 1 59 59 LYS C C 50 173.474 173.474 175.545 -2.071 18220
6499 1 13 . 1 1 59 59 LYS CA C 50 56.300 56.300 57.531 -1.231 18220
6500 1 13 . 1 1 59 59 LYS CB C 50 32.034 32.034 32.043 -0.009 18220
6501 1 13 . 1 1 59 59 LYS H H 50 8.003 8.003 8.388 -0.385 18220
6502 1 13 . 1 1 60 60 ARG N N 51 121.278 121.278 117.111 4.167 18220
6503 1 13 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.363 -0.163 18220
6504 1 13 . 1 1 60 60 ARG C C 51 173.303 173.303 174.423 -1.120 18220
6505 1 13 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.536 -1.253 18220
6506 1 13 . 1 1 60 60 ARG CB C 51 30.238 30.238 32.447 -2.209 18220
6507 1 13 . 1 1 60 60 ARG H H 51 8.091 8.091 8.527 -0.436 18220
6508 1 13 . 1 1 61 61 ASP N N 52 121.185 121.185 115.304 5.881 18220
6509 1 13 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.898 -0.283 18220
6510 1 13 . 1 1 61 61 ASP C C 52 173.777 173.777 175.726 -1.949 18220
6511 1 13 . 1 1 61 61 ASP CA C 52 53.979 53.979 52.463 1.516 18220
6512 1 13 . 1 1 61 61 ASP CB C 52 40.245 40.245 43.114 -2.869 18220
6513 1 13 . 1 1 61 61 ASP H H 52 8.261 8.261 7.777 0.484 18220
6514 1 13 . 1 1 62 62 VAL N N 53 121.902 121.902 118.539 3.363 18220
6515 1 13 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.558 0.392 18220
6516 1 13 . 1 1 62 62 VAL C C 53 173.279 173.279 177.760 -4.481 18220
6517 1 13 . 1 1 62 62 VAL CA C 53 63.176 63.176 65.690 -2.514 18220
6518 1 13 . 1 1 62 62 VAL CB C 53 32.099 32.099 30.936 1.163 18220
6519 1 13 . 1 1 62 62 VAL H H 53 7.997 7.997 8.648 -0.651 18220
6520 1 13 . 1 1 63 63 LYS N N 54 123.522 123.522 120.208 3.314 18220
6521 1 13 . 1 1 63 63 LYS HA H 54 4.260 4.260 3.952 0.308 18220
6522 1 13 . 1 1 63 63 LYS C C 54 174.481 174.481 178.684 -4.203 18220
6523 1 13 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.532 -3.185 18220
6524 1 13 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.460 -0.361 18220
6525 1 13 . 1 1 63 63 LYS H H 54 8.054 8.054 8.041 0.013 18220
6526 1 13 . 1 1 64 64 VAL N N 55 120.647 120.647 118.561 2.086 18220
6527 1 13 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.608 0.339 18220
6528 1 13 . 1 1 64 64 VAL C C 55 174.955 174.955 178.160 -3.205 18220
6529 1 13 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.780 -2.180 18220
6530 1 13 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.497 0.380 18220
6531 1 13 . 1 1 64 64 VAL H H 55 8.225 8.225 7.766 0.459 18220
6532 1 13 . 1 1 65 65 SER N N 56 117.785 117.785 114.427 3.358 18220
6533 1 13 . 1 1 65 65 SER HA H 56 4.390 4.390 4.178 0.212 18220
6534 1 13 . 1 1 65 65 SER C C 56 172.300 172.300 176.722 -4.422 18220
6535 1 13 . 1 1 65 65 SER CA C 56 60.000 60.000 62.065 -2.065 18220
6536 1 13 . 1 1 65 65 SER CB C 56 62.879 62.879 62.937 -0.058 18220
6537 1 13 . 1 1 65 65 SER H H 56 8.260 8.260 7.769 0.491 18220
6538 1 13 . 1 1 66 66 LEU N N 57 123.318 123.318 121.824 1.494 18220
6539 1 13 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.106 -0.016 18220
6540 1 13 . 1 1 66 66 LEU C C 57 175.932 175.932 178.847 -2.915 18220
6541 1 13 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.906 -0.404 18220
6542 1 13 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.333 0.388 18220
6543 1 13 . 1 1 66 66 LEU H H 57 8.091 8.091 7.538 0.553 18220
6544 1 13 . 1 1 67 67 PHE N N 58 118.020 118.020 119.193 -1.173 18220
6545 1 13 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.389 -0.059 18220
6546 1 13 . 1 1 67 67 PHE C C 58 174.912 174.912 177.704 -2.792 18220
6547 1 13 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.487 -0.887 18220
6548 1 13 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.940 -0.388 18220
6549 1 13 . 1 1 67 67 PHE H H 58 8.066 8.066 8.580 -0.514 18220
6550 1 13 . 1 1 68 68 THR N N 59 115.324 115.324 118.460 -3.136 18220
6551 1 13 . 1 1 68 68 THR HA H 59 4.310 4.310 4.194 0.116 18220
6552 1 13 . 1 1 68 68 THR C C 59 173.380 173.380 176.321 -2.941 18220
6553 1 13 . 1 1 68 68 THR CA C 59 66.313 66.313 67.807 -1.494 18220
6554 1 13 . 1 1 68 68 THR CB C 59 67.700 67.700 68.701 -1.001 18220
6555 1 13 . 1 1 68 68 THR H H 59 8.287 8.287 8.312 -0.025 18220
6556 1 13 . 1 1 69 69 ALA N N 60 123.621 123.621 124.406 -0.785 18220
6557 1 13 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.158 0.122 18220
6558 1 13 . 1 1 69 69 ALA C C 60 176.978 176.978 179.209 -2.231 18220
6559 1 13 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.106 -0.006 18220
6560 1 13 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.163 -0.435 18220
6561 1 13 . 1 1 69 69 ALA H H 60 7.983 7.983 8.486 -0.503 18220
6562 1 13 . 1 1 70 70 PHE N N 61 118.520 118.520 119.861 -1.341 18220
6563 1 13 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.088 0.172 18220
6564 1 13 . 1 1 70 70 PHE C C 61 175.369 175.369 176.958 -1.589 18220
6565 1 13 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.735 -1.556 18220
6566 1 13 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.122 -0.416 18220
6567 1 13 . 1 1 70 70 PHE H H 61 8.007 8.007 8.336 -0.329 18220
6568 1 13 . 1 1 71 71 PHE N N 62 122.314 122.314 119.546 2.768 18220
6569 1 13 . 1 1 71 71 PHE HA H 62 4.000 4.000 3.911 0.089 18220
6570 1 13 . 1 1 71 71 PHE C C 62 174.697 174.697 177.039 -2.342 18220
6571 1 13 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.166 -0.649 18220
6572 1 13 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.240 -0.470 18220
6573 1 13 . 1 1 71 71 PHE H H 62 8.546 8.546 8.056 0.490 18220
6574 1 13 . 1 1 72 72 LEU N N 63 119.399 119.399 121.613 -2.214 18220
6575 1 13 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.868 0.002 18220
6576 1 13 . 1 1 72 72 LEU C C 63 175.774 175.774 178.928 -3.154 18220
6577 1 13 . 1 1 72 72 LEU CA C 63 56.925 56.925 57.927 -1.002 18220
6578 1 13 . 1 1 72 72 LEU CB C 63 41.207 41.207 40.718 0.489 18220
6579 1 13 . 1 1 72 72 LEU H H 63 8.396 8.396 8.582 -0.186 18220
6580 1 13 . 1 1 73 73 ALA N N 64 120.221 120.221 120.582 -0.361 18220
6581 1 13 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.795 0.165 18220
6582 1 13 . 1 1 73 73 ALA C C 64 177.267 177.267 179.580 -2.313 18220
6583 1 13 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.442 -0.842 18220
6584 1 13 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.034 -0.250 18220
6585 1 13 . 1 1 73 73 ALA H H 64 8.025 8.025 8.401 -0.376 18220
6586 1 13 . 1 1 74 74 THR N N 65 113.648 113.648 115.284 -1.636 18220
6587 1 13 . 1 1 74 74 THR HA H 65 3.980 3.980 3.941 0.039 18220
6588 1 13 . 1 1 74 74 THR CA C 65 66.291 66.291 66.765 -0.474 18220
6589 1 13 . 1 1 74 74 THR CB C 65 67.914 67.914 68.182 -0.268 18220
6590 1 13 . 1 1 74 74 THR H H 65 7.717 7.717 7.883 -0.166 18220
6591 1 13 . 1 1 75 75 ILE N N 66 120.291 120.291 119.946 0.345 18220
6592 1 13 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.650 0.090 18220
6593 1 13 . 1 1 75 75 ILE C C 66 174.951 174.951 176.919 -1.968 18220
6594 1 13 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.702 1.178 18220
6595 1 13 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.052 -0.886 18220
6596 1 13 . 1 1 75 75 ILE H H 66 7.738 7.738 7.654 0.084 18220
6597 1 13 . 1 1 76 76 MET N N 67 117.618 117.618 117.812 -0.194 18220
6598 1 13 . 1 1 76 76 MET HA H 67 4.220 4.220 4.322 -0.102 18220
6599 1 13 . 1 1 76 76 MET C C 67 175.142 175.142 177.116 -1.974 18220
6600 1 13 . 1 1 76 76 MET CA C 67 56.723 56.723 57.617 -0.894 18220
6601 1 13 . 1 1 76 76 MET CB C 67 31.951 31.951 33.246 -1.295 18220
6602 1 13 . 1 1 76 76 MET H H 67 7.823 7.823 7.874 -0.051 18220
6603 1 13 . 1 1 77 77 GLY N N 68 107.110 107.110 105.148 1.962 18220
6604 1 13 . 1 1 77 77 GLY C C 68 172.260 172.260 173.550 -1.290 18220
6605 1 13 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.031 0.769 18220
6606 1 13 . 1 1 77 77 GLY H H 68 7.937 7.937 8.170 -0.233 18220
6607 1 13 . 1 1 78 78 VAL N N 69 120.431 120.431 117.617 2.814 18220
6608 1 13 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.252 -0.032 18220
6609 1 13 . 1 1 78 78 VAL CA C 69 63.900 63.900 62.489 1.411 18220
6610 1 13 . 1 1 78 78 VAL CB C 69 31.506 31.506 34.295 -2.789 18220
6611 1 13 . 1 1 78 78 VAL H H 69 7.697 7.697 8.078 -0.381 18220
6612 1 13 . 1 1 79 79 ARG N N 70 121.420 121.420 119.274 2.146 18220
6613 1 13 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.482 -0.672 18220
6614 1 13 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.235 0.165 18220
6615 1 13 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.244 -0.147 18220
6616 1 13 . 1 1 79 79 ARG H H 70 7.889 7.889 8.199 -0.310 18220
6617 1 13 . 1 1 80 80 PHE N N 71 119.949 119.949 121.778 -1.829 18220
6618 1 13 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.819 -0.309 18220
6619 1 13 . 1 1 80 80 PHE CA C 71 58.600 58.600 56.753 1.847 18220
6620 1 13 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.375 -0.230 18220
6621 1 13 . 1 1 80 80 PHE H H 71 8.101 8.101 7.977 0.124 18220
6622 1 13 . 1 1 81 81 LYS N N 72 122.193 122.193 121.555 0.638 18220
6623 1 13 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.540 1.260 18220
6624 1 13 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.583 -1.260 18220
6625 1 13 . 1 1 81 81 LYS H H 72 8.090 8.090 8.551 -0.461 18220
6626 1 13 . 1 1 82 82 ARG N N 73 119.650 119.650 121.709 -2.059 18220
6627 1 13 . 1 1 82 82 ARG CA C 73 56.089 56.089 55.227 0.862 18220
6628 1 13 . 1 1 82 82 ARG CB C 73 30.171 30.171 32.087 -1.917 18220
6629 1 13 . 1 1 82 82 ARG H H 73 8.052 8.052 8.322 -0.270 18220
6630 1 13 . 1 1 83 83 SER N N 74 115.734 115.734 113.646 2.088 18220
6631 1 13 . 1 1 83 83 SER CA C 74 58.355 58.355 58.458 -0.103 18220
6632 1 13 . 1 1 83 83 SER CB C 74 63.404 63.404 62.954 0.450 18220
6633 1 13 . 1 1 83 83 SER H H 74 7.912 7.912 8.353 -0.441 18220
6634 1 13 . 1 1 84 84 LYS N N 75 122.370 122.370 123.237 -0.867 18220
6635 1 13 . 1 1 84 84 LYS CA C 75 56.135 56.135 57.008 -0.873 18220
6636 1 13 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.830 -0.655 18220
6637 1 13 . 1 1 84 84 LYS H H 75 8.067 8.067 7.942 0.125 18220
6638 1 13 . 1 1 86 86 ILE N N 77 119.592 119.592 118.189 1.403 18220
6639 1 13 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.849 -0.039 18220
6640 1 13 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.142 2.758 18220
6641 1 13 . 1 1 86 86 ILE CB C 77 39.145 39.145 37.379 1.766 18220
6642 1 13 . 1 1 86 86 ILE H H 77 7.837 7.837 8.118 -0.281 18220
6643 1 13 . 1 1 87 87 MET N N 78 121.645 121.645 124.286 -2.641 18220
6644 1 13 . 1 1 87 87 MET CA C 78 52.982 52.982 55.343 -2.361 18220
6645 1 13 . 1 1 87 87 MET CB C 78 32.173 32.173 33.051 -0.878 18220
6646 1 13 . 1 1 87 87 MET H H 78 7.950 7.950 7.999 -0.049 18220
6647 1 13 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.408 -0.268 18220
6648 1 13 . 1 1 88 88 PRO C C 79 173.921 173.921 177.232 -3.311 18220
6649 1 13 . 1 1 88 88 PRO CA C 79 62.800 62.800 64.442 -1.642 18220
6650 1 13 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.418 -0.282 18220
6651 1 13 . 1 1 89 89 ALA N N 80 124.431 124.431 121.595 2.836 18220
6652 1 13 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.000 0.400 18220
6653 1 13 . 1 1 89 89 ALA C C 80 176.234 176.234 179.980 -3.746 18220
6654 1 13 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.192 -1.892 18220
6655 1 13 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.025 0.473 18220
6656 1 13 . 1 1 89 89 ALA H H 80 8.320 8.320 8.284 0.036 18220
6657 1 13 . 1 1 90 90 GLY N N 81 106.834 106.834 106.943 -0.109 18220
6658 1 13 . 1 1 90 90 GLY C C 81 172.398 172.398 176.079 -3.681 18220
6659 1 13 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.085 -1.485 18220
6660 1 13 . 1 1 90 90 GLY H H 81 8.458 8.458 8.158 0.300 18220
6661 1 13 . 1 1 91 91 LEU N N 82 121.043 121.043 122.407 -1.364 18220
6662 1 13 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.980 0.220 18220
6663 1 13 . 1 1 91 91 LEU C C 82 174.783 174.783 178.774 -3.991 18220
6664 1 13 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.827 -1.527 18220
6665 1 13 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.966 0.140 18220
6666 1 13 . 1 1 91 91 LEU H H 82 7.687 7.687 7.650 0.037 18220
6667 1 13 . 1 1 92 92 VAL N N 83 114.737 114.737 118.088 -3.351 18220
6668 1 13 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.518 0.462 18220
6669 1 13 . 1 1 92 92 VAL C C 83 173.634 173.634 177.834 -4.200 18220
6670 1 13 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.346 -3.946 18220
6671 1 13 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.082 0.503 18220
6672 1 13 . 1 1 92 92 VAL H H 83 7.602 7.602 7.795 -0.193 18220
6673 1 13 . 1 1 93 93 ALA N N 84 124.320 124.320 121.471 2.849 18220
6674 1 13 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.097 0.053 18220
6675 1 13 . 1 1 93 93 ALA C C 84 175.746 175.746 179.698 -3.952 18220
6676 1 13 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.245 -1.945 18220
6677 1 13 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.069 0.172 18220
6678 1 13 . 1 1 93 93 ALA H H 84 7.891 7.891 8.209 -0.318 18220
6679 1 13 . 1 1 94 94 GLY N N 85 106.807 106.807 108.396 -1.589 18220
6680 1 13 . 1 1 94 94 GLY C C 85 171.752 171.752 175.938 -4.186 18220
6681 1 13 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.873 -1.624 18220
6682 1 13 . 1 1 94 94 GLY H H 85 8.204 8.204 8.096 0.108 18220
6683 1 13 . 1 1 95 95 LEU N N 86 121.266 121.266 123.135 -1.869 18220
6684 1 13 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.038 0.342 18220
6685 1 13 . 1 1 95 95 LEU C C 86 173.702 173.702 178.738 -5.036 18220
6686 1 13 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.776 -2.776 18220
6687 1 13 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.093 1.205 18220
6688 1 13 . 1 1 95 95 LEU H H 86 7.718 7.718 8.342 -0.624 18220
6689 1 13 . 1 1 96 96 SER N N 87 115.658 115.658 115.001 0.657 18220
6690 1 13 . 1 1 96 96 SER HA H 87 4.370 4.370 4.199 0.171 18220
6691 1 13 . 1 1 96 96 SER C C 87 172.479 172.479 176.762 -4.283 18220
6692 1 13 . 1 1 96 96 SER CA C 87 57.200 57.200 61.632 -4.432 18220
6693 1 13 . 1 1 96 96 SER CB C 87 64.174 64.174 62.884 1.290 18220
6694 1 13 . 1 1 96 96 SER H H 87 7.659 7.659 8.106 -0.447 18220
6695 1 13 . 1 1 97 97 LEU N N 88 123.720 123.720 122.652 1.068 18220
6696 1 13 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.940 0.660 18220
6697 1 13 . 1 1 97 97 LEU C C 88 175.932 175.932 178.925 -2.993 18220
6698 1 13 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.999 -0.399 18220
6699 1 13 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.220 0.180 18220
6700 1 13 . 1 1 97 97 LEU H H 88 8.733 8.733 8.137 0.596 18220
6701 1 13 . 1 1 98 98 MET N N 89 116.684 116.684 117.984 -1.300 18220
6702 1 13 . 1 1 98 98 MET HA H 89 4.280 4.280 3.948 0.332 18220
6703 1 13 . 1 1 98 98 MET C C 89 175.789 175.789 178.688 -2.899 18220
6704 1 13 . 1 1 98 98 MET CA C 89 56.915 56.915 59.114 -2.199 18220
6705 1 13 . 1 1 98 98 MET CB C 89 31.007 31.007 32.159 -1.152 18220
6706 1 13 . 1 1 98 98 MET H H 89 8.342 8.342 8.188 0.153 18220
6707 1 13 . 1 1 99 99 MET N N 90 119.182 119.182 119.191 -0.009 18220
6708 1 13 . 1 1 99 99 MET HA H 90 4.110 4.110 3.978 0.132 18220
6709 1 13 . 1 1 99 99 MET C C 90 175.588 175.588 178.831 -3.243 18220
6710 1 13 . 1 1 99 99 MET CA C 90 57.951 57.951 59.434 -1.483 18220
6711 1 13 . 1 1 99 99 MET CB C 90 32.226 32.226 32.494 -0.268 18220
6712 1 13 . 1 1 99 99 MET H H 90 7.720 7.720 8.099 -0.379 18220
6713 1 13 . 1 1 100 100 ILE N N 91 119.077 119.077 119.287 -0.210 18220
6714 1 13 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.691 0.419 18220
6715 1 13 . 1 1 100 100 ILE C C 91 174.634 174.634 178.463 -3.829 18220
6716 1 13 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.655 -0.555 18220
6717 1 13 . 1 1 100 100 ILE CB C 91 37.143 37.143 36.796 0.347 18220
6718 1 13 . 1 1 100 100 ILE H H 91 7.662 7.662 8.151 -0.489 18220
6719 1 13 . 1 1 101 101 LEU N N 92 119.646 119.646 119.364 0.282 18220
6720 1 13 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.966 0.564 18220
6721 1 13 . 1 1 101 101 LEU C C 92 175.430 175.430 179.500 -4.070 18220
6722 1 13 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.061 -0.261 18220
6723 1 13 . 1 1 101 101 LEU CB C 92 40.758 40.758 40.772 -0.014 18220
6724 1 13 . 1 1 101 101 LEU H H 92 8.142 8.142 8.264 -0.122 18220
6725 1 13 . 1 1 102 102 ARG N N 93 116.394 116.394 117.171 -0.777 18220
6726 1 13 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.084 0.056 18220
6727 1 13 . 1 1 102 102 ARG C C 93 175.961 175.961 178.402 -2.441 18220
6728 1 13 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.829 0.271 18220
6729 1 13 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.842 -0.438 18220
6730 1 13 . 1 1 102 102 ARG H H 93 7.893 7.893 8.462 -0.569 18220
6731 1 13 . 1 1 103 103 LEU N N 94 119.114 119.114 120.774 -1.660 18220
6732 1 13 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.094 0.016 18220
6733 1 13 . 1 1 103 103 LEU C C 94 175.889 175.889 178.660 -2.771 18220
6734 1 13 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.696 -0.396 18220
6735 1 13 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.133 0.163 18220
6736 1 13 . 1 1 103 103 LEU H H 94 7.622 7.622 7.934 -0.312 18220
6737 1 13 . 1 1 104 104 VAL N N 95 117.704 117.704 117.661 0.043 18220
6738 1 13 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.788 -0.258 18220
6739 1 13 . 1 1 104 104 VAL C C 95 175.042 175.042 178.153 -3.111 18220
6740 1 13 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.528 0.891 18220
6741 1 13 . 1 1 104 104 VAL CB C 95 31.357 31.357 32.242 -0.885 18220
6742 1 13 . 1 1 104 104 VAL H H 95 8.026 8.026 7.215 0.811 18220
6743 1 13 . 1 1 105 105 LEU N N 96 117.185 117.185 121.185 -4.000 18220
6744 1 13 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.928 0.052 18220
6745 1 13 . 1 1 105 105 LEU C C 96 176.579 176.579 178.824 -2.245 18220
6746 1 13 . 1 1 105 105 LEU CA C 96 56.800 56.800 58.190 -1.389 18220
6747 1 13 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.118 -0.167 18220
6748 1 13 . 1 1 105 105 LEU H H 96 7.893 7.893 7.965 -0.072 18220
6749 1 13 . 1 1 106 106 LEU N N 97 118.471 118.471 119.043 -0.572 18220
6750 1 13 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.866 0.314 18220
6751 1 13 . 1 1 106 106 LEU C C 97 175.802 175.802 179.141 -3.339 18220
6752 1 13 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.798 -1.498 18220
6753 1 13 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.921 -0.329 18220
6754 1 13 . 1 1 106 106 LEU H H 97 7.545 7.545 8.270 -0.725 18220
6755 1 13 . 1 1 107 107 LEU N N 98 118.162 118.162 118.901 -0.739 18220
6756 1 13 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.146 0.084 18220
6757 1 13 . 1 1 107 107 LEU C C 98 174.174 174.174 178.014 -3.840 18220
6758 1 13 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.555 -0.272 18220
6759 1 13 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.668 -0.306 18220
6760 1 13 . 1 1 107 107 LEU H H 98 7.688 7.688 7.713 -0.025 18220
6761 1 14 . 1 1 11 11 ASP N N 2 120.536 120.536 122.099 -1.563 18220
6762 1 14 . 1 1 11 11 ASP CA C 2 55.918 55.918 55.044 0.874 18220
6763 1 14 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.717 -3.758 18220
6764 1 14 . 1 1 11 11 ASP H H 2 7.863 7.863 8.307 -0.444 18220
6765 1 14 . 1 1 12 12 LEU N N 3 121.414 121.414 123.498 -2.084 18220
6766 1 14 . 1 1 12 12 LEU C C 3 176.162 176.162 175.667 0.495 18220
6767 1 14 . 1 1 12 12 LEU CA C 3 57.600 57.600 54.933 2.667 18220
6768 1 14 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.491 -0.834 18220
6769 1 14 . 1 1 12 12 LEU H H 3 8.285 8.285 8.279 0.006 18220
6770 1 14 . 1 1 13 13 ILE N N 4 118.854 118.854 119.211 -0.357 18220
6771 1 14 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.294 -0.554 18220
6772 1 14 . 1 1 13 13 ILE C C 4 175.228 175.228 176.380 -1.152 18220
6773 1 14 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.305 3.195 18220
6774 1 14 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.642 -1.540 18220
6775 1 14 . 1 1 13 13 ILE H H 4 8.031 8.031 7.937 0.094 18220
6776 1 14 . 1 1 14 14 GLY N N 5 107.478 107.478 110.131 -2.653 18220
6777 1 14 . 1 1 14 14 GLY C C 5 174.424 174.424 176.187 -1.763 18220
6778 1 14 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.218 1.841 18220
6779 1 14 . 1 1 14 14 GLY H H 5 8.148 8.148 8.083 0.065 18220
6780 1 14 . 1 1 15 15 PHE N N 6 122.774 122.774 123.738 -0.964 18220
6781 1 14 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.361 0.119 18220
6782 1 14 . 1 1 15 15 PHE C C 6 175.113 175.113 177.085 -1.972 18220
6783 1 14 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.101 0.916 18220
6784 1 14 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.490 0.283 18220
6785 1 14 . 1 1 15 15 PHE H H 6 8.194 8.194 8.441 -0.247 18220
6786 1 14 . 1 1 16 16 GLY N N 7 107.938 107.938 108.279 -0.341 18220
6787 1 14 . 1 1 16 16 GLY C C 7 171.838 171.838 175.909 -4.071 18220
6788 1 14 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.102 -0.003 18220
6789 1 14 . 1 1 16 16 GLY H H 7 8.697 8.697 7.010 1.687 18220
6790 1 14 . 1 1 17 17 TYR N N 8 121.785 121.785 123.027 -1.242 18220
6791 1 14 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.069 0.081 18220
6792 1 14 . 1 1 17 17 TYR C C 8 174.180 174.180 177.564 -3.384 18220
6793 1 14 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.216 0.084 18220
6794 1 14 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.269 -0.310 18220
6795 1 14 . 1 1 17 17 TYR H H 8 8.710 8.710 8.205 0.505 18220
6796 1 14 . 1 1 18 18 ALA N N 9 120.233 120.233 120.430 -0.197 18220
6797 1 14 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.970 -0.020 18220
6798 1 14 . 1 1 18 18 ALA C C 9 178.059 178.059 178.861 -0.802 18220
6799 1 14 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.175 -0.303 18220
6800 1 14 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.817 -0.255 18220
6801 1 14 . 1 1 18 18 ALA H H 9 7.843 7.843 8.261 -0.418 18220
6802 1 14 . 1 1 19 19 ALA N N 10 121.797 121.797 121.597 0.200 18220
6803 1 14 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.251 -0.301 18220
6804 1 14 . 1 1 19 19 ALA C C 10 176.191 176.191 179.685 -3.494 18220
6805 1 14 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.635 -0.035 18220
6806 1 14 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.287 -0.725 18220
6807 1 14 . 1 1 19 19 ALA H H 10 8.212 8.212 7.827 0.385 18220
6808 1 14 . 1 1 20 20 LEU N N 11 119.442 119.442 120.862 -1.420 18220
6809 1 14 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.097 -0.160 18220
6810 1 14 . 1 1 20 20 LEU C C 11 176.694 176.694 179.176 -2.482 18220
6811 1 14 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.987 -0.187 18220
6812 1 14 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.036 0.186 18220
6813 1 14 . 1 1 20 20 LEU H H 11 8.065 8.065 7.963 0.102 18220
6814 1 14 . 1 1 21 21 VAL N N 12 118.323 118.323 118.714 -0.391 18220
6815 1 14 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.557 0.083 18220
6816 1 14 . 1 1 21 21 VAL C C 12 176.536 176.536 178.333 -1.797 18220
6817 1 14 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.808 -1.408 18220
6818 1 14 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.837 0.298 18220
6819 1 14 . 1 1 21 21 VAL H H 12 8.051 8.051 8.203 -0.152 18220
6820 1 14 . 1 1 22 22 THR N N 13 118.298 118.298 116.378 1.920 18220
6821 1 14 . 1 1 22 22 THR HA H 13 4.660 4.660 3.946 0.714 18220
6822 1 14 . 1 1 22 22 THR C C 13 173.734 173.734 176.475 -2.741 18220
6823 1 14 . 1 1 22 22 THR CA C 13 66.300 66.300 67.366 -1.066 18220
6824 1 14 . 1 1 22 22 THR CB C 13 67.775 67.775 68.864 -1.089 18220
6825 1 14 . 1 1 22 22 THR H H 13 7.944 7.944 8.008 -0.064 18220
6826 1 14 . 1 1 23 23 PHE N N 14 121.328 121.328 121.789 -0.461 18220
6827 1 14 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.088 0.252 18220
6828 1 14 . 1 1 23 23 PHE C C 14 174.783 174.783 177.698 -2.915 18220
6829 1 14 . 1 1 23 23 PHE CA C 14 60.500 60.500 60.997 -0.497 18220
6830 1 14 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.775 -0.149 18220
6831 1 14 . 1 1 23 23 PHE H H 14 8.567 8.567 8.364 0.203 18220
6832 1 14 . 1 1 24 24 GLY N N 15 106.871 106.871 106.925 -0.054 18220
6833 1 14 . 1 1 24 24 GLY C C 15 172.858 172.858 175.782 -2.924 18220
6834 1 14 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.027 -0.127 18220
6835 1 14 . 1 1 24 24 GLY H H 15 8.475 8.475 8.453 0.022 18220
6836 1 14 . 1 1 25 25 SER N N 16 116.214 116.214 117.902 -1.688 18220
6837 1 14 . 1 1 25 25 SER HA H 16 4.280 4.280 4.047 0.233 18220
6838 1 14 . 1 1 25 25 SER CA C 16 60.300 60.300 61.590 -1.290 18220
6839 1 14 . 1 1 25 25 SER CB C 16 62.879 62.879 63.157 -0.278 18220
6840 1 14 . 1 1 25 25 SER H H 16 7.963 7.963 8.107 -0.144 18220
6841 1 14 . 1 1 26 26 ILE N N 17 121.024 121.024 120.455 0.569 18220
6842 1 14 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.818 0.128 18220
6843 1 14 . 1 1 26 26 ILE C C 17 173.935 173.935 178.534 -4.599 18220
6844 1 14 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.233 -1.133 18220
6845 1 14 . 1 1 26 26 ILE CB C 17 38.107 38.107 36.988 1.119 18220
6846 1 14 . 1 1 26 26 ILE H H 17 7.676 7.676 8.491 -0.815 18220
6847 1 14 . 1 1 27 27 PHE N N 18 117.142 117.142 120.842 -3.700 18220
6848 1 14 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.152 0.278 18220
6849 1 14 . 1 1 27 27 PHE C C 18 173.504 173.504 177.002 -3.498 18220
6850 1 14 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.569 -2.070 18220
6851 1 14 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.602 0.172 18220
6852 1 14 . 1 1 27 27 PHE H H 18 7.703 7.703 7.970 -0.267 18220
6853 1 14 . 1 1 28 28 GLY N N 19 107.303 107.303 105.835 1.468 18220
6854 1 14 . 1 1 28 28 GLY C C 19 171.593 171.593 174.702 -3.109 18220
6855 1 14 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.158 0.442 18220
6856 1 14 . 1 1 28 28 GLY H H 19 7.722 7.722 7.561 0.161 18220
6857 1 14 . 1 1 29 29 TYR N N 20 119.862 119.862 118.877 0.985 18220
6858 1 14 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.013 0.379 18220
6859 1 14 . 1 1 29 29 TYR C C 20 173.174 173.174 174.483 -1.309 18220
6860 1 14 . 1 1 29 29 TYR CA C 20 58.500 58.500 59.367 -0.867 18220
6861 1 14 . 1 1 29 29 TYR CB C 20 38.404 38.404 36.437 1.967 18220
6862 1 14 . 1 1 29 29 TYR H H 20 7.880 7.880 8.084 -0.204 18220
6863 1 14 . 1 1 30 30 LYS N N 21 122.335 122.335 116.473 5.862 18220
6864 1 14 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.368 0.022 18220
6865 1 14 . 1 1 30 30 LYS C C 21 173.547 173.547 174.928 -1.381 18220
6866 1 14 . 1 1 30 30 LYS CA C 21 55.800 55.800 55.717 0.083 18220
6867 1 14 . 1 1 30 30 LYS CB C 21 32.396 32.396 34.409 -2.013 18220
6868 1 14 . 1 1 30 30 LYS H H 21 7.934 7.934 7.583 0.351 18220
6869 1 14 . 1 1 31 31 ARG N N 22 120.612 120.612 119.970 0.642 18220
6870 1 14 . 1 1 31 31 ARG C C 22 173.547 173.547 175.434 -1.887 18220
6871 1 14 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.676 -0.842 18220
6872 1 14 . 1 1 31 31 ARG CB C 22 30.101 30.101 28.439 1.662 18220
6873 1 14 . 1 1 31 31 ARG H H 22 7.905 7.905 8.813 -0.908 18220
6874 1 14 . 1 1 32 32 ARG N N 23 121.748 121.748 115.906 5.842 18220
6875 1 14 . 1 1 32 32 ARG HA H 23 4.310 4.310 3.959 0.351 18220
6876 1 14 . 1 1 32 32 ARG C C 23 173.863 173.863 175.414 -1.551 18220
6877 1 14 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.259 -1.459 18220
6878 1 14 . 1 1 32 32 ARG CB C 23 30.245 30.245 29.996 0.249 18220
6879 1 14 . 1 1 32 32 ARG H H 23 8.175 8.175 8.115 0.060 18220
6880 1 14 . 1 1 33 33 GLY N N 24 109.528 109.528 105.912 3.616 18220
6881 1 14 . 1 1 33 33 GLY C C 24 171.752 171.752 174.994 -3.242 18220
6882 1 14 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.144 -0.244 18220
6883 1 14 . 1 1 33 33 GLY H H 24 8.264 8.264 8.758 -0.494 18220
6884 1 14 . 1 1 34 34 GLY N N 25 108.563 108.563 112.001 -3.438 18220
6885 1 14 . 1 1 34 34 GLY C C 25 171.701 171.701 175.220 -3.519 18220
6886 1 14 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.648 -1.048 18220
6887 1 14 . 1 1 34 34 GLY H H 25 8.208 8.208 8.670 -0.462 18220
6888 1 14 . 1 1 35 35 VAL N N 26 121.164 121.164 120.807 0.357 18220
6889 1 14 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.074 -0.064 18220
6890 1 14 . 1 1 35 35 VAL C C 26 175.888 175.888 175.627 0.261 18220
6891 1 14 . 1 1 35 35 VAL CA C 26 63.900 63.900 60.995 2.905 18220
6892 1 14 . 1 1 35 35 VAL CB C 26 30.690 30.690 30.807 -0.117 18220
6893 1 14 . 1 1 35 35 VAL H H 26 8.485 8.485 7.702 0.783 18220
6894 1 14 . 1 1 36 36 PRO C C 27 177.660 177.660 177.034 0.626 18220
6895 1 14 . 1 1 36 36 PRO CA C 27 61.847 61.847 65.131 -3.284 18220
6896 1 14 . 1 1 37 37 SER N N 28 116.023 116.023 109.600 6.423 18220
6897 1 14 . 1 1 37 37 SER HA H 28 4.280 4.280 4.586 -0.306 18220
6898 1 14 . 1 1 37 37 SER CA C 28 61.100 61.100 58.233 2.867 18220
6899 1 14 . 1 1 37 37 SER H H 28 7.948 7.948 7.839 0.109 18220
6900 1 14 . 1 1 38 38 LEU N N 29 124.029 124.029 123.656 0.373 18220
6901 1 14 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.940 0.230 18220
6902 1 14 . 1 1 38 38 LEU C C 29 176.132 176.132 178.294 -2.162 18220
6903 1 14 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.317 -0.817 18220
6904 1 14 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.839 0.199 18220
6905 1 14 . 1 1 38 38 LEU H H 29 8.201 8.201 8.110 0.091 18220
6906 1 14 . 1 1 39 39 ILE N N 30 117.098 117.098 117.543 -0.445 18220
6907 1 14 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.622 0.748 18220
6908 1 14 . 1 1 39 39 ILE C C 30 176.478 176.478 177.696 -1.218 18220
6909 1 14 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.742 -1.663 18220
6910 1 14 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.225 -0.252 18220
6911 1 14 . 1 1 39 39 ILE H H 30 7.662 7.662 8.041 -0.379 18220
6912 1 14 . 1 1 40 40 ALA N N 31 122.447 122.447 121.757 0.690 18220
6913 1 14 . 1 1 40 40 ALA HA H 31 4.034 4.034 3.964 0.070 18220
6914 1 14 . 1 1 40 40 ALA C C 31 177.067 177.067 179.781 -2.714 18220
6915 1 14 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.240 0.722 18220
6916 1 14 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.736 0.120 18220
6917 1 14 . 1 1 40 40 ALA H H 31 8.096 8.096 7.875 0.221 18220
6918 1 14 . 1 1 41 41 GLY N N 32 104.056 104.056 106.589 -2.533 18220
6919 1 14 . 1 1 41 41 GLY C C 32 174.251 174.251 176.275 -2.024 18220
6920 1 14 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.597 -0.097 18220
6921 1 14 . 1 1 41 41 GLY H H 32 8.123 8.123 8.089 0.034 18220
6922 1 14 . 1 1 42 42 LEU N N 33 123.250 123.250 123.895 -0.645 18220
6923 1 14 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.025 -0.168 18220
6924 1 14 . 1 1 42 42 LEU C C 33 176.033 176.033 178.222 -2.189 18220
6925 1 14 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.334 -1.665 18220
6926 1 14 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.279 -0.558 18220
6927 1 14 . 1 1 42 42 LEU H H 33 7.914 7.914 8.006 -0.092 18220
6928 1 14 . 1 1 43 43 PHE N N 34 119.757 119.757 118.664 1.093 18220
6929 1 14 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.129 0.071 18220
6930 1 14 . 1 1 43 43 PHE C C 34 174.374 174.374 178.508 -4.134 18220
6931 1 14 . 1 1 43 43 PHE CA C 34 59.876 59.876 61.653 -1.777 18220
6932 1 14 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.490 0.344 18220
6933 1 14 . 1 1 43 43 PHE H H 34 8.287 8.287 8.595 -0.308 18220
6934 1 14 . 1 1 44 44 VAL N N 35 117.791 117.791 116.367 1.424 18220
6935 1 14 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.792 -0.182 18220
6936 1 14 . 1 1 44 44 VAL C C 35 176.205 176.205 178.073 -1.868 18220
6937 1 14 . 1 1 44 44 VAL CA C 35 64.559 64.559 65.513 -0.954 18220
6938 1 14 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.435 0.997 18220
6939 1 14 . 1 1 44 44 VAL H H 35 8.235 8.235 8.302 -0.067 18220
6940 1 14 . 1 1 45 45 GLY N N 36 108.551 108.551 109.308 -0.757 18220
6941 1 14 . 1 1 45 45 GLY C C 36 173.749 173.749 175.920 -2.171 18220
6942 1 14 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.439 -1.356 18220
6943 1 14 . 1 1 45 45 GLY H H 36 8.178 8.178 8.207 -0.029 18220
6944 1 14 . 1 1 46 46 CYS N N 37 121.173 121.173 121.006 0.167 18220
6945 1 14 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.112 0.068 18220
6946 1 14 . 1 1 46 46 CYS C C 37 173.710 173.710 177.136 -3.426 18220
6947 1 14 . 1 1 46 46 CYS CA C 37 63.000 63.000 61.198 1.802 18220
6948 1 14 . 1 1 46 46 CYS CB C 37 60.283 60.283 26.029 34.254 18220
6949 1 14 . 1 1 46 46 CYS H H 37 8.253 8.253 8.150 0.103 18220
6950 1 14 . 1 1 47 47 LEU N N 38 120.283 120.283 122.713 -2.430 18220
6951 1 14 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.801 0.259 18220
6952 1 14 . 1 1 47 47 LEU C C 38 176.679 176.679 178.724 -2.045 18220
6953 1 14 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.899 -1.872 18220
6954 1 14 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.749 -0.285 18220
6955 1 14 . 1 1 47 47 LEU H H 38 7.965 7.965 7.991 -0.026 18220
6956 1 14 . 1 1 48 48 ALA N N 39 122.249 122.249 119.735 2.514 18220
6957 1 14 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.999 0.143 18220
6958 1 14 . 1 1 48 48 ALA C C 39 177.915 177.915 180.032 -2.117 18220
6959 1 14 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.153 -1.436 18220
6960 1 14 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.064 -0.079 18220
6961 1 14 . 1 1 48 48 ALA H H 39 8.066 8.066 8.317 -0.251 18220
6962 1 14 . 1 1 49 49 GLY N N 40 107.377 107.377 107.230 0.147 18220
6963 1 14 . 1 1 49 49 GLY C C 40 172.527 172.527 175.384 -2.857 18220
6964 1 14 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.017 -1.567 18220
6965 1 14 . 1 1 49 49 GLY H H 40 8.172 8.172 8.623 -0.451 18220
6966 1 14 . 1 1 50 50 TYR N N 41 122.409 122.409 124.178 -1.769 18220
6967 1 14 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.973 -0.174 18220
6968 1 14 . 1 1 50 50 TYR C C 41 174.208 174.208 178.588 -4.380 18220
6969 1 14 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.768 -2.523 18220
6970 1 14 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.227 -0.291 18220
6971 1 14 . 1 1 50 50 TYR H H 41 7.800 7.800 8.166 -0.366 18220
6972 1 14 . 1 1 51 51 GLY N N 42 106.935 106.935 106.074 0.861 18220
6973 1 14 . 1 1 51 51 GLY C C 42 172.642 172.642 175.598 -2.956 18220
6974 1 14 . 1 1 51 51 GLY CA C 42 46.265 46.265 47.227 -0.962 18220
6975 1 14 . 1 1 51 51 GLY H H 42 8.199 8.199 8.340 -0.141 18220
6976 1 14 . 1 1 52 52 ALA N N 43 123.018 123.018 125.304 -2.286 18220
6977 1 14 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.041 0.109 18220
6978 1 14 . 1 1 52 52 ALA C C 43 176.398 176.398 179.482 -3.084 18220
6979 1 14 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.779 -1.896 18220
6980 1 14 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.304 -0.063 18220
6981 1 14 . 1 1 52 52 ALA H H 43 7.758 7.758 8.318 -0.560 18220
6982 1 14 . 1 1 53 53 TYR N N 44 119.664 119.664 119.201 0.463 18220
6983 1 14 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.464 -0.146 18220
6984 1 14 . 1 1 53 53 TYR C C 44 174.180 174.180 177.011 -2.831 18220
6985 1 14 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.380 -1.786 18220
6986 1 14 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.618 -0.426 18220
6987 1 14 . 1 1 53 53 TYR H H 44 7.920 7.920 7.991 -0.071 18220
6988 1 14 . 1 1 54 54 ARG N N 45 119.516 119.516 118.973 0.543 18220
6989 1 14 . 1 1 54 54 ARG HA H 45 3.930 3.930 3.927 0.003 18220
6990 1 14 . 1 1 54 54 ARG C C 45 174.423 174.423 178.865 -4.442 18220
6991 1 14 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.259 -1.232 18220
6992 1 14 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.349 -0.176 18220
6993 1 14 . 1 1 54 54 ARG H H 45 7.956 7.956 8.111 -0.155 18220
6994 1 14 . 1 1 55 55 VAL N N 46 116.437 116.437 118.434 -1.997 18220
6995 1 14 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.904 0.156 18220
6996 1 14 . 1 1 55 55 VAL C C 46 173.806 173.806 175.547 -1.741 18220
6997 1 14 . 1 1 55 55 VAL CA C 46 62.300 62.300 64.011 -1.711 18220
6998 1 14 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.156 -0.635 18220
6999 1 14 . 1 1 55 55 VAL H H 46 7.489 7.489 8.432 -0.943 18220
7000 1 14 . 1 1 56 56 SER N N 47 117.185 117.185 110.938 6.247 18220
7001 1 14 . 1 1 56 56 SER HA H 47 4.401 4.401 4.397 0.004 18220
7002 1 14 . 1 1 56 56 SER C C 47 172.074 172.074 171.889 0.185 18220
7003 1 14 . 1 1 56 56 SER CA C 47 58.133 58.133 57.388 0.745 18220
7004 1 14 . 1 1 56 56 SER CB C 47 63.468 63.468 64.521 -1.053 18220
7005 1 14 . 1 1 56 56 SER H H 47 7.728 7.728 7.486 0.242 18220
7006 1 14 . 1 1 57 57 ASN N N 48 121.049 121.049 117.578 3.471 18220
7007 1 14 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.325 0.265 18220
7008 1 14 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.532 -0.933 18220
7009 1 14 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.770 -0.129 18220
7010 1 14 . 1 1 57 57 ASN H H 48 8.228 8.228 8.511 -0.283 18220
7011 1 14 . 1 1 58 58 ASP N N 49 120.276 120.276 120.259 0.017 18220
7012 1 14 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.572 -0.042 18220
7013 1 14 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.215 -1.013 18220
7014 1 14 . 1 1 58 58 ASP CB C 49 40.374 40.374 43.025 -2.651 18220
7015 1 14 . 1 1 58 58 ASP H H 49 8.192 8.192 8.386 -0.194 18220
7016 1 14 . 1 1 59 59 LYS N N 50 120.660 120.660 119.480 1.180 18220
7017 1 14 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.576 -0.376 18220
7018 1 14 . 1 1 59 59 LYS C C 50 173.474 173.474 174.743 -1.269 18220
7019 1 14 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.497 0.803 18220
7020 1 14 . 1 1 59 59 LYS CB C 50 32.034 32.034 35.005 -2.971 18220
7021 1 14 . 1 1 59 59 LYS H H 50 8.003 8.003 7.690 0.313 18220
7022 1 14 . 1 1 60 60 ARG N N 51 121.278 121.278 120.762 0.516 18220
7023 1 14 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.130 0.070 18220
7024 1 14 . 1 1 60 60 ARG C C 51 173.303 173.303 173.539 -0.236 18220
7025 1 14 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.784 -0.501 18220
7026 1 14 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.352 -0.114 18220
7027 1 14 . 1 1 60 60 ARG H H 51 8.091 8.091 8.642 -0.551 18220
7028 1 14 . 1 1 61 61 ASP N N 52 121.185 121.185 120.537 0.648 18220
7029 1 14 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.675 -0.060 18220
7030 1 14 . 1 1 61 61 ASP C C 52 173.777 173.777 174.593 -0.816 18220
7031 1 14 . 1 1 61 61 ASP CA C 52 53.979 53.979 53.771 0.208 18220
7032 1 14 . 1 1 61 61 ASP CB C 52 40.245 40.245 40.759 -0.514 18220
7033 1 14 . 1 1 61 61 ASP H H 52 8.261 8.261 8.135 0.126 18220
7034 1 14 . 1 1 62 62 VAL N N 53 121.902 121.902 122.631 -0.729 18220
7035 1 14 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.255 -0.305 18220
7036 1 14 . 1 1 62 62 VAL C C 53 173.279 173.279 176.620 -3.341 18220
7037 1 14 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.428 -0.252 18220
7038 1 14 . 1 1 62 62 VAL CB C 53 32.099 32.099 33.327 -1.228 18220
7039 1 14 . 1 1 62 62 VAL H H 53 7.997 7.997 8.064 -0.067 18220
7040 1 14 . 1 1 63 63 LYS N N 54 123.522 123.522 121.705 1.817 18220
7041 1 14 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.076 0.184 18220
7042 1 14 . 1 1 63 63 LYS C C 54 174.481 174.481 178.507 -4.026 18220
7043 1 14 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.313 -2.966 18220
7044 1 14 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.311 0.787 18220
7045 1 14 . 1 1 63 63 LYS H H 54 8.054 8.054 8.301 -0.247 18220
7046 1 14 . 1 1 64 64 VAL N N 55 120.647 120.647 119.433 1.214 18220
7047 1 14 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.755 0.193 18220
7048 1 14 . 1 1 64 64 VAL C C 55 174.955 174.955 178.010 -3.055 18220
7049 1 14 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.520 -0.920 18220
7050 1 14 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.169 0.708 18220
7051 1 14 . 1 1 64 64 VAL H H 55 8.225 8.225 8.063 0.162 18220
7052 1 14 . 1 1 65 65 SER N N 56 117.785 117.785 115.351 2.434 18220
7053 1 14 . 1 1 65 65 SER HA H 56 4.390 4.390 4.169 0.221 18220
7054 1 14 . 1 1 65 65 SER C C 56 172.300 172.300 176.809 -4.509 18220
7055 1 14 . 1 1 65 65 SER CA C 56 60.000 60.000 62.402 -2.402 18220
7056 1 14 . 1 1 65 65 SER CB C 56 62.879 62.879 62.801 0.078 18220
7057 1 14 . 1 1 65 65 SER H H 56 8.260 8.260 8.092 0.168 18220
7058 1 14 . 1 1 66 66 LEU N N 57 123.318 123.318 122.593 0.725 18220
7059 1 14 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.061 0.029 18220
7060 1 14 . 1 1 66 66 LEU C C 57 175.932 175.932 178.572 -2.640 18220
7061 1 14 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.448 -0.946 18220
7062 1 14 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.930 -0.209 18220
7063 1 14 . 1 1 66 66 LEU H H 57 8.091 8.091 7.826 0.265 18220
7064 1 14 . 1 1 67 67 PHE N N 58 118.020 118.020 118.892 -0.872 18220
7065 1 14 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.334 -0.004 18220
7066 1 14 . 1 1 67 67 PHE C C 58 174.912 174.912 177.815 -2.903 18220
7067 1 14 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.727 -1.127 18220
7068 1 14 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.995 -0.443 18220
7069 1 14 . 1 1 67 67 PHE H H 58 8.066 8.066 8.462 -0.396 18220
7070 1 14 . 1 1 68 68 THR N N 59 115.324 115.324 117.356 -2.032 18220
7071 1 14 . 1 1 68 68 THR HA H 59 4.310 4.310 4.083 0.227 18220
7072 1 14 . 1 1 68 68 THR C C 59 173.380 173.380 176.260 -2.880 18220
7073 1 14 . 1 1 68 68 THR CA C 59 66.313 66.313 67.700 -1.387 18220
7074 1 14 . 1 1 68 68 THR CB C 59 67.700 67.700 68.865 -1.165 18220
7075 1 14 . 1 1 68 68 THR H H 59 8.287 8.287 8.330 -0.043 18220
7076 1 14 . 1 1 69 69 ALA N N 60 123.621 123.621 124.883 -1.262 18220
7077 1 14 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.176 0.104 18220
7078 1 14 . 1 1 69 69 ALA C C 60 176.978 176.978 179.403 -2.425 18220
7079 1 14 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.297 -0.197 18220
7080 1 14 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.153 -0.425 18220
7081 1 14 . 1 1 69 69 ALA H H 60 7.983 7.983 8.414 -0.431 18220
7082 1 14 . 1 1 70 70 PHE N N 61 118.520 118.520 119.843 -1.323 18220
7083 1 14 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.130 0.130 18220
7084 1 14 . 1 1 70 70 PHE C C 61 175.369 175.369 177.261 -1.892 18220
7085 1 14 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.983 -1.804 18220
7086 1 14 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.084 -0.378 18220
7087 1 14 . 1 1 70 70 PHE H H 61 8.007 8.007 8.455 -0.448 18220
7088 1 14 . 1 1 71 71 PHE N N 62 122.314 122.314 120.380 1.934 18220
7089 1 14 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.247 -0.247 18220
7090 1 14 . 1 1 71 71 PHE C C 62 174.697 174.697 178.082 -3.385 18220
7091 1 14 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.759 -1.242 18220
7092 1 14 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.598 -0.828 18220
7093 1 14 . 1 1 71 71 PHE H H 62 8.546 8.546 8.543 0.003 18220
7094 1 14 . 1 1 72 72 LEU N N 63 119.399 119.399 120.285 -0.886 18220
7095 1 14 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.968 -0.098 18220
7096 1 14 . 1 1 72 72 LEU C C 63 175.774 175.774 179.010 -3.236 18220
7097 1 14 . 1 1 72 72 LEU CA C 63 56.925 56.925 57.849 -0.924 18220
7098 1 14 . 1 1 72 72 LEU CB C 63 41.207 41.207 40.892 0.315 18220
7099 1 14 . 1 1 72 72 LEU H H 63 8.396 8.396 8.655 -0.259 18220
7100 1 14 . 1 1 73 73 ALA N N 64 120.221 120.221 121.028 -0.807 18220
7101 1 14 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.844 0.116 18220
7102 1 14 . 1 1 73 73 ALA C C 64 177.267 177.267 179.337 -2.070 18220
7103 1 14 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.392 -0.792 18220
7104 1 14 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.332 -0.548 18220
7105 1 14 . 1 1 73 73 ALA H H 64 8.025 8.025 8.690 -0.665 18220
7106 1 14 . 1 1 74 74 THR N N 65 113.648 113.648 112.693 0.955 18220
7107 1 14 . 1 1 74 74 THR HA H 65 3.980 3.980 3.830 0.150 18220
7108 1 14 . 1 1 74 74 THR CA C 65 66.291 66.291 65.410 0.881 18220
7109 1 14 . 1 1 74 74 THR CB C 65 67.914 67.914 68.242 -0.328 18220
7110 1 14 . 1 1 74 74 THR H H 65 7.717 7.717 8.211 -0.494 18220
7111 1 14 . 1 1 75 75 ILE N N 66 120.291 120.291 120.087 0.204 18220
7112 1 14 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.847 -0.107 18220
7113 1 14 . 1 1 75 75 ILE C C 66 174.951 174.951 177.053 -2.102 18220
7114 1 14 . 1 1 75 75 ILE CA C 66 64.880 64.880 62.633 2.247 18220
7115 1 14 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.505 -0.339 18220
7116 1 14 . 1 1 75 75 ILE H H 66 7.738 7.738 7.933 -0.195 18220
7117 1 14 . 1 1 76 76 MET N N 67 117.618 117.618 118.031 -0.413 18220
7118 1 14 . 1 1 76 76 MET HA H 67 4.220 4.220 4.400 -0.180 18220
7119 1 14 . 1 1 76 76 MET C C 67 175.142 175.142 176.403 -1.261 18220
7120 1 14 . 1 1 76 76 MET CA C 67 56.723 56.723 57.400 -0.677 18220
7121 1 14 . 1 1 76 76 MET CB C 67 31.951 31.951 34.945 -2.994 18220
7122 1 14 . 1 1 76 76 MET H H 67 7.823 7.823 8.016 -0.193 18220
7123 1 14 . 1 1 77 77 GLY N N 68 107.110 107.110 108.069 -0.959 18220
7124 1 14 . 1 1 77 77 GLY C C 68 172.260 172.260 172.904 -0.644 18220
7125 1 14 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.784 1.016 18220
7126 1 14 . 1 1 77 77 GLY H H 68 7.937 7.937 8.550 -0.613 18220
7127 1 14 . 1 1 78 78 VAL N N 69 120.431 120.431 120.821 -0.390 18220
7128 1 14 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.342 -0.122 18220
7129 1 14 . 1 1 78 78 VAL CA C 69 63.900 63.900 60.639 3.261 18220
7130 1 14 . 1 1 78 78 VAL CB C 69 31.506 31.506 34.274 -2.768 18220
7131 1 14 . 1 1 78 78 VAL H H 69 7.697 7.697 7.546 0.151 18220
7132 1 14 . 1 1 79 79 ARG N N 70 121.420 121.420 125.508 -4.088 18220
7133 1 14 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.225 -0.415 18220
7134 1 14 . 1 1 79 79 ARG CA C 70 56.400 56.400 58.758 -2.358 18220
7135 1 14 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.752 -0.655 18220
7136 1 14 . 1 1 79 79 ARG H H 70 7.889 7.889 8.682 -0.793 18220
7137 1 14 . 1 1 80 80 PHE N N 71 119.949 119.949 114.932 5.017 18220
7138 1 14 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.506 0.004 18220
7139 1 14 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.881 -0.281 18220
7140 1 14 . 1 1 80 80 PHE CB C 71 39.145 39.145 40.244 -1.099 18220
7141 1 14 . 1 1 80 80 PHE H H 71 8.101 8.101 7.818 0.283 18220
7142 1 14 . 1 1 81 81 LYS N N 72 122.193 122.193 117.417 4.776 18220
7143 1 14 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.919 0.881 18220
7144 1 14 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.440 -2.118 18220
7145 1 14 . 1 1 81 81 LYS H H 72 8.090 8.090 7.809 0.281 18220
7146 1 14 . 1 1 82 82 ARG N N 73 119.650 119.650 117.709 1.941 18220
7147 1 14 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.939 -0.850 18220
7148 1 14 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.896 -0.725 18220
7149 1 14 . 1 1 82 82 ARG H H 73 8.052 8.052 8.698 -0.646 18220
7150 1 14 . 1 1 83 83 SER N N 74 115.734 115.734 115.278 0.456 18220
7151 1 14 . 1 1 83 83 SER CA C 74 58.355 58.355 58.830 -0.475 18220
7152 1 14 . 1 1 83 83 SER CB C 74 63.404 63.404 64.278 -0.874 18220
7153 1 14 . 1 1 83 83 SER H H 74 7.912 7.912 8.368 -0.456 18220
7154 1 14 . 1 1 84 84 LYS N N 75 122.370 122.370 119.321 3.049 18220
7155 1 14 . 1 1 84 84 LYS CA C 75 56.135 56.135 55.745 0.390 18220
7156 1 14 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.182 -1.007 18220
7157 1 14 . 1 1 84 84 LYS H H 75 8.067 8.067 8.121 -0.054 18220
7158 1 14 . 1 1 86 86 ILE N N 77 119.592 119.592 116.708 2.884 18220
7159 1 14 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.504 0.306 18220
7160 1 14 . 1 1 86 86 ILE CA C 77 64.900 64.900 63.032 1.868 18220
7161 1 14 . 1 1 86 86 ILE CB C 77 39.145 39.145 37.004 2.141 18220
7162 1 14 . 1 1 86 86 ILE H H 77 7.837 7.837 8.252 -0.415 18220
7163 1 14 . 1 1 87 87 MET N N 78 121.645 121.645 117.087 4.558 18220
7164 1 14 . 1 1 87 87 MET CA C 78 52.982 52.982 56.122 -3.140 18220
7165 1 14 . 1 1 87 87 MET CB C 78 32.173 32.173 31.516 0.657 18220
7166 1 14 . 1 1 87 87 MET H H 78 7.950 7.950 8.130 -0.180 18220
7167 1 14 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.397 -0.257 18220
7168 1 14 . 1 1 88 88 PRO C C 79 173.921 173.921 177.424 -3.503 18220
7169 1 14 . 1 1 88 88 PRO CA C 79 62.800 62.800 64.977 -2.176 18220
7170 1 14 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.559 -0.423 18220
7171 1 14 . 1 1 89 89 ALA N N 80 124.431 124.431 121.067 3.364 18220
7172 1 14 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.951 0.449 18220
7173 1 14 . 1 1 89 89 ALA C C 80 176.234 176.234 180.019 -3.785 18220
7174 1 14 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.145 -1.845 18220
7175 1 14 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.164 0.334 18220
7176 1 14 . 1 1 89 89 ALA H H 80 8.320 8.320 8.161 0.159 18220
7177 1 14 . 1 1 90 90 GLY N N 81 106.834 106.834 107.147 -0.313 18220
7178 1 14 . 1 1 90 90 GLY C C 81 172.398 172.398 176.182 -3.784 18220
7179 1 14 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.146 -1.546 18220
7180 1 14 . 1 1 90 90 GLY H H 81 8.458 8.458 7.818 0.640 18220
7181 1 14 . 1 1 91 91 LEU N N 82 121.043 121.043 122.533 -1.490 18220
7182 1 14 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.005 0.195 18220
7183 1 14 . 1 1 91 91 LEU C C 82 174.783 174.783 179.071 -4.288 18220
7184 1 14 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.815 -1.515 18220
7185 1 14 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.212 0.894 18220
7186 1 14 . 1 1 91 91 LEU H H 82 7.687 7.687 7.904 -0.217 18220
7187 1 14 . 1 1 92 92 VAL N N 83 114.737 114.737 118.874 -4.137 18220
7188 1 14 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.544 0.436 18220
7189 1 14 . 1 1 92 92 VAL C C 83 173.634 173.634 178.126 -4.492 18220
7190 1 14 . 1 1 92 92 VAL CA C 83 62.400 62.400 65.798 -3.398 18220
7191 1 14 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.206 1.379 18220
7192 1 14 . 1 1 92 92 VAL H H 83 7.602 7.602 7.800 -0.198 18220
7193 1 14 . 1 1 93 93 ALA N N 84 124.320 124.320 121.504 2.816 18220
7194 1 14 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.085 0.065 18220
7195 1 14 . 1 1 93 93 ALA C C 84 175.746 175.746 179.897 -4.151 18220
7196 1 14 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.215 -1.915 18220
7197 1 14 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.144 0.097 18220
7198 1 14 . 1 1 93 93 ALA H H 84 7.891 7.891 8.139 -0.248 18220
7199 1 14 . 1 1 94 94 GLY N N 85 106.807 106.807 107.850 -1.043 18220
7200 1 14 . 1 1 94 94 GLY C C 85 171.752 171.752 176.034 -4.282 18220
7201 1 14 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.765 -1.516 18220
7202 1 14 . 1 1 94 94 GLY H H 85 8.204 8.204 8.069 0.135 18220
7203 1 14 . 1 1 95 95 LEU N N 86 121.266 121.266 122.510 -1.244 18220
7204 1 14 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.911 0.469 18220
7205 1 14 . 1 1 95 95 LEU C C 86 173.702 173.702 179.548 -5.846 18220
7206 1 14 . 1 1 95 95 LEU CA C 86 55.000 55.000 58.073 -3.073 18220
7207 1 14 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.513 0.785 18220
7208 1 14 . 1 1 95 95 LEU H H 86 7.718 7.718 8.612 -0.894 18220
7209 1 14 . 1 1 96 96 SER N N 87 115.658 115.658 115.042 0.616 18220
7210 1 14 . 1 1 96 96 SER HA H 87 4.370 4.370 4.235 0.135 18220
7211 1 14 . 1 1 96 96 SER C C 87 172.479 172.479 176.485 -4.006 18220
7212 1 14 . 1 1 96 96 SER CA C 87 57.200 57.200 61.711 -4.511 18220
7213 1 14 . 1 1 96 96 SER CB C 87 64.174 64.174 63.060 1.114 18220
7214 1 14 . 1 1 96 96 SER H H 87 7.659 7.659 8.164 -0.505 18220
7215 1 14 . 1 1 97 97 LEU N N 88 123.720 123.720 122.634 1.086 18220
7216 1 14 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.970 0.630 18220
7217 1 14 . 1 1 97 97 LEU C C 88 175.932 175.932 178.982 -3.050 18220
7218 1 14 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.002 -0.402 18220
7219 1 14 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.424 -0.024 18220
7220 1 14 . 1 1 97 97 LEU H H 88 8.733 8.733 8.078 0.655 18220
7221 1 14 . 1 1 98 98 MET N N 89 116.684 116.684 118.103 -1.419 18220
7222 1 14 . 1 1 98 98 MET HA H 89 4.280 4.280 3.985 0.295 18220
7223 1 14 . 1 1 98 98 MET C C 89 175.789 175.789 178.427 -2.638 18220
7224 1 14 . 1 1 98 98 MET CA C 89 56.915 56.915 59.209 -2.294 18220
7225 1 14 . 1 1 98 98 MET CB C 89 31.007 31.007 32.639 -1.632 18220
7226 1 14 . 1 1 98 98 MET H H 89 8.342 8.342 8.326 0.016 18220
7227 1 14 . 1 1 99 99 MET N N 90 119.182 119.182 119.018 0.164 18220
7228 1 14 . 1 1 99 99 MET HA H 90 4.110 4.110 3.970 0.140 18220
7229 1 14 . 1 1 99 99 MET C C 90 175.588 175.588 178.702 -3.114 18220
7230 1 14 . 1 1 99 99 MET CA C 90 57.951 57.951 59.784 -1.833 18220
7231 1 14 . 1 1 99 99 MET CB C 90 32.226 32.226 32.406 -0.180 18220
7232 1 14 . 1 1 99 99 MET H H 90 7.720 7.720 8.037 -0.317 18220
7233 1 14 . 1 1 100 100 ILE N N 91 119.077 119.077 119.916 -0.839 18220
7234 1 14 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.699 0.411 18220
7235 1 14 . 1 1 100 100 ILE C C 91 174.634 174.634 177.488 -2.854 18220
7236 1 14 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.473 -0.373 18220
7237 1 14 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.873 -0.730 18220
7238 1 14 . 1 1 100 100 ILE H H 91 7.662 7.662 7.976 -0.314 18220
7239 1 14 . 1 1 101 101 LEU N N 92 119.646 119.646 119.916 -0.270 18220
7240 1 14 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.906 0.624 18220
7241 1 14 . 1 1 101 101 LEU C C 92 175.430 175.430 178.771 -3.341 18220
7242 1 14 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.251 -0.451 18220
7243 1 14 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.663 -0.905 18220
7244 1 14 . 1 1 101 101 LEU H H 92 8.142 8.142 7.982 0.160 18220
7245 1 14 . 1 1 102 102 ARG N N 93 116.394 116.394 118.557 -2.163 18220
7246 1 14 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.045 0.095 18220
7247 1 14 . 1 1 102 102 ARG C C 93 175.961 175.961 178.743 -2.782 18220
7248 1 14 . 1 1 102 102 ARG CA C 93 59.100 59.100 59.220 -0.120 18220
7249 1 14 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.910 -0.506 18220
7250 1 14 . 1 1 102 102 ARG H H 93 7.893 7.893 8.023 -0.130 18220
7251 1 14 . 1 1 103 103 LEU N N 94 119.114 119.114 120.826 -1.712 18220
7252 1 14 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.025 0.085 18220
7253 1 14 . 1 1 103 103 LEU C C 94 175.889 175.889 177.977 -2.088 18220
7254 1 14 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.477 -1.177 18220
7255 1 14 . 1 1 103 103 LEU CB C 94 41.296 41.296 42.036 -0.740 18220
7256 1 14 . 1 1 103 103 LEU H H 94 7.622 7.622 8.054 -0.432 18220
7257 1 14 . 1 1 104 104 VAL N N 95 117.704 117.704 117.248 0.456 18220
7258 1 14 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.782 -0.252 18220
7259 1 14 . 1 1 104 104 VAL C C 95 175.042 175.042 177.458 -2.416 18220
7260 1 14 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.230 1.190 18220
7261 1 14 . 1 1 104 104 VAL CB C 95 31.357 31.357 32.548 -1.191 18220
7262 1 14 . 1 1 104 104 VAL H H 95 8.026 8.026 7.408 0.618 18220
7263 1 14 . 1 1 105 105 LEU N N 96 117.185 117.185 122.136 -4.951 18220
7264 1 14 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.871 0.109 18220
7265 1 14 . 1 1 105 105 LEU C C 96 176.579 176.579 178.987 -2.408 18220
7266 1 14 . 1 1 105 105 LEU CA C 96 56.800 56.800 58.207 -1.407 18220
7267 1 14 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.839 -0.888 18220
7268 1 14 . 1 1 105 105 LEU H H 96 7.893 7.893 7.908 -0.015 18220
7269 1 14 . 1 1 106 106 LEU N N 97 118.471 118.471 118.114 0.357 18220
7270 1 14 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.900 0.280 18220
7271 1 14 . 1 1 106 106 LEU C C 97 175.802 175.802 177.940 -2.138 18220
7272 1 14 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.404 -1.104 18220
7273 1 14 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.944 -0.352 18220
7274 1 14 . 1 1 106 106 LEU H H 97 7.545 7.545 7.933 -0.388 18220
7275 1 14 . 1 1 107 107 LEU N N 98 118.162 118.162 118.589 -0.427 18220
7276 1 14 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.113 0.117 18220
7277 1 14 . 1 1 107 107 LEU C C 98 174.174 174.174 177.807 -3.633 18220
7278 1 14 . 1 1 107 107 LEU CA C 98 56.283 56.283 57.162 -0.879 18220
7279 1 14 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.469 -0.107 18220
7280 1 14 . 1 1 107 107 LEU H H 98 7.688 7.688 8.004 -0.316 18220
7281 1 15 . 1 1 11 11 ASP N N 2 120.536 120.536 121.580 -1.044 18220
7282 1 15 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.825 1.093 18220
7283 1 15 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.352 -3.393 18220
7284 1 15 . 1 1 11 11 ASP H H 2 7.863 7.863 8.387 -0.524 18220
7285 1 15 . 1 1 12 12 LEU N N 3 121.414 121.414 118.092 3.322 18220
7286 1 15 . 1 1 12 12 LEU C C 3 176.162 176.162 175.984 0.178 18220
7287 1 15 . 1 1 12 12 LEU CA C 3 57.600 57.600 54.846 2.754 18220
7288 1 15 . 1 1 12 12 LEU CB C 3 41.657 41.657 41.729 -0.072 18220
7289 1 15 . 1 1 12 12 LEU H H 3 8.285 8.285 8.256 0.029 18220
7290 1 15 . 1 1 13 13 ILE N N 4 118.854 118.854 121.499 -2.645 18220
7291 1 15 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.516 -0.776 18220
7292 1 15 . 1 1 13 13 ILE C C 4 175.228 175.228 175.988 -0.760 18220
7293 1 15 . 1 1 13 13 ILE CA C 4 64.500 64.500 60.239 4.261 18220
7294 1 15 . 1 1 13 13 ILE CB C 4 37.102 37.102 41.358 -4.256 18220
7295 1 15 . 1 1 13 13 ILE H H 4 8.031 8.031 7.727 0.304 18220
7296 1 15 . 1 1 14 14 GLY N N 5 107.478 107.478 113.113 -5.635 18220
7297 1 15 . 1 1 14 14 GLY C C 5 174.424 174.424 175.141 -0.717 18220
7298 1 15 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.587 1.472 18220
7299 1 15 . 1 1 14 14 GLY H H 5 8.148 8.148 8.413 -0.265 18220
7300 1 15 . 1 1 15 15 PHE N N 6 122.774 122.774 127.459 -4.685 18220
7301 1 15 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.322 0.158 18220
7302 1 15 . 1 1 15 15 PHE C C 6 175.113 175.113 177.054 -1.941 18220
7303 1 15 . 1 1 15 15 PHE CA C 6 60.017 60.017 60.422 -0.405 18220
7304 1 15 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.542 -0.768 18220
7305 1 15 . 1 1 15 15 PHE H H 6 8.194 8.194 8.657 -0.463 18220
7306 1 15 . 1 1 16 16 GLY N N 7 107.938 107.938 107.485 0.453 18220
7307 1 15 . 1 1 16 16 GLY C C 7 171.838 171.838 175.748 -3.910 18220
7308 1 15 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.482 -0.382 18220
7309 1 15 . 1 1 16 16 GLY H H 7 8.697 8.697 8.569 0.128 18220
7310 1 15 . 1 1 17 17 TYR N N 8 121.785 121.785 122.329 -0.544 18220
7311 1 15 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.081 0.069 18220
7312 1 15 . 1 1 17 17 TYR C C 8 174.180 174.180 177.989 -3.809 18220
7313 1 15 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.723 0.577 18220
7314 1 15 . 1 1 17 17 TYR CB C 8 37.959 37.959 37.900 0.059 18220
7315 1 15 . 1 1 17 17 TYR H H 8 8.710 8.710 8.217 0.493 18220
7316 1 15 . 1 1 18 18 ALA N N 9 120.233 120.233 120.568 -0.335 18220
7317 1 15 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.847 0.103 18220
7318 1 15 . 1 1 18 18 ALA C C 9 178.059 178.059 178.797 -0.738 18220
7319 1 15 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.027 -0.155 18220
7320 1 15 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.649 -0.087 18220
7321 1 15 . 1 1 18 18 ALA H H 9 7.843 7.843 8.137 -0.294 18220
7322 1 15 . 1 1 19 19 ALA N N 10 121.797 121.797 120.967 0.830 18220
7323 1 15 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.064 -0.114 18220
7324 1 15 . 1 1 19 19 ALA C C 10 176.191 176.191 179.580 -3.389 18220
7325 1 15 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.375 0.225 18220
7326 1 15 . 1 1 19 19 ALA CB C 10 17.562 17.562 17.979 -0.417 18220
7327 1 15 . 1 1 19 19 ALA H H 10 8.212 8.212 7.470 0.742 18220
7328 1 15 . 1 1 20 20 LEU N N 11 119.442 119.442 120.492 -1.050 18220
7329 1 15 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.901 0.036 18220
7330 1 15 . 1 1 20 20 LEU C C 11 176.694 176.694 178.673 -1.979 18220
7331 1 15 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.235 -0.435 18220
7332 1 15 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.158 -0.936 18220
7333 1 15 . 1 1 20 20 LEU H H 11 8.065 8.065 7.824 0.241 18220
7334 1 15 . 1 1 21 21 VAL N N 12 118.323 118.323 119.006 -0.683 18220
7335 1 15 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.517 0.123 18220
7336 1 15 . 1 1 21 21 VAL C C 12 176.536 176.536 177.819 -1.283 18220
7337 1 15 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.568 -2.168 18220
7338 1 15 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.537 -0.402 18220
7339 1 15 . 1 1 21 21 VAL H H 12 8.051 8.051 8.236 -0.185 18220
7340 1 15 . 1 1 22 22 THR N N 13 118.298 118.298 116.948 1.350 18220
7341 1 15 . 1 1 22 22 THR HA H 13 4.660 4.660 3.801 0.859 18220
7342 1 15 . 1 1 22 22 THR C C 13 173.734 173.734 176.760 -3.026 18220
7343 1 15 . 1 1 22 22 THR CA C 13 66.300 66.300 67.248 -0.948 18220
7344 1 15 . 1 1 22 22 THR CB C 13 67.775 67.775 68.751 -0.976 18220
7345 1 15 . 1 1 22 22 THR H H 13 7.944 7.944 7.992 -0.048 18220
7346 1 15 . 1 1 23 23 PHE N N 14 121.328 121.328 120.631 0.697 18220
7347 1 15 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.091 0.249 18220
7348 1 15 . 1 1 23 23 PHE C C 14 174.783 174.783 178.025 -3.242 18220
7349 1 15 . 1 1 23 23 PHE CA C 14 60.500 60.500 62.157 -1.657 18220
7350 1 15 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.651 -0.025 18220
7351 1 15 . 1 1 23 23 PHE H H 14 8.567 8.567 8.396 0.171 18220
7352 1 15 . 1 1 24 24 GLY N N 15 106.871 106.871 106.527 0.344 18220
7353 1 15 . 1 1 24 24 GLY C C 15 172.858 172.858 176.195 -3.337 18220
7354 1 15 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.156 -0.256 18220
7355 1 15 . 1 1 24 24 GLY H H 15 8.475 8.475 8.317 0.158 18220
7356 1 15 . 1 1 25 25 SER N N 16 116.214 116.214 117.937 -1.723 18220
7357 1 15 . 1 1 25 25 SER HA H 16 4.280 4.280 4.052 0.228 18220
7358 1 15 . 1 1 25 25 SER CA C 16 60.300 60.300 61.821 -1.521 18220
7359 1 15 . 1 1 25 25 SER CB C 16 62.879 62.879 63.160 -0.281 18220
7360 1 15 . 1 1 25 25 SER H H 16 7.963 7.963 8.168 -0.205 18220
7361 1 15 . 1 1 26 26 ILE N N 17 121.024 121.024 120.970 0.054 18220
7362 1 15 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.533 0.413 18220
7363 1 15 . 1 1 26 26 ILE C C 17 173.935 173.935 178.522 -4.587 18220
7364 1 15 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.857 -1.757 18220
7365 1 15 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.275 0.832 18220
7366 1 15 . 1 1 26 26 ILE H H 17 7.676 7.676 8.402 -0.726 18220
7367 1 15 . 1 1 27 27 PHE N N 18 117.142 117.142 119.537 -2.395 18220
7368 1 15 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.271 0.159 18220
7369 1 15 . 1 1 27 27 PHE C C 18 173.504 173.504 177.599 -4.095 18220
7370 1 15 . 1 1 27 27 PHE CA C 18 58.500 58.500 61.199 -2.699 18220
7371 1 15 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.573 0.201 18220
7372 1 15 . 1 1 27 27 PHE H H 18 7.703 7.703 8.416 -0.713 18220
7373 1 15 . 1 1 28 28 GLY N N 19 107.303 107.303 104.821 2.482 18220
7374 1 15 . 1 1 28 28 GLY C C 19 171.593 171.593 174.094 -2.501 18220
7375 1 15 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.176 0.424 18220
7376 1 15 . 1 1 28 28 GLY H H 19 7.722 7.722 7.594 0.128 18220
7377 1 15 . 1 1 29 29 TYR N N 20 119.862 119.862 119.434 0.428 18220
7378 1 15 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.077 0.315 18220
7379 1 15 . 1 1 29 29 TYR C C 20 173.174 173.174 174.682 -1.508 18220
7380 1 15 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.792 -0.292 18220
7381 1 15 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.480 0.924 18220
7382 1 15 . 1 1 29 29 TYR H H 20 7.880 7.880 7.918 -0.038 18220
7383 1 15 . 1 1 30 30 LYS N N 21 122.335 122.335 125.372 -3.037 18220
7384 1 15 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.595 -0.205 18220
7385 1 15 . 1 1 30 30 LYS C C 21 173.547 173.547 176.440 -2.893 18220
7386 1 15 . 1 1 30 30 LYS CA C 21 55.800 55.800 55.645 0.155 18220
7387 1 15 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.978 -0.582 18220
7388 1 15 . 1 1 30 30 LYS H H 21 7.934 7.934 8.321 -0.387 18220
7389 1 15 . 1 1 31 31 ARG N N 22 120.612 120.612 124.569 -3.957 18220
7390 1 15 . 1 1 31 31 ARG C C 22 173.547 173.547 177.510 -3.963 18220
7391 1 15 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.277 -0.443 18220
7392 1 15 . 1 1 31 31 ARG CB C 22 30.101 30.101 29.973 0.128 18220
7393 1 15 . 1 1 31 31 ARG H H 22 7.905 7.905 8.804 -0.899 18220
7394 1 15 . 1 1 32 32 ARG N N 23 121.748 121.748 120.854 0.894 18220
7395 1 15 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.387 -0.077 18220
7396 1 15 . 1 1 32 32 ARG C C 23 173.863 173.863 176.316 -2.453 18220
7397 1 15 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.966 -2.166 18220
7398 1 15 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.561 -0.316 18220
7399 1 15 . 1 1 32 32 ARG H H 23 8.175 8.175 8.741 -0.566 18220
7400 1 15 . 1 1 33 33 GLY N N 24 109.528 109.528 106.015 3.513 18220
7401 1 15 . 1 1 33 33 GLY C C 24 171.752 171.752 172.960 -1.208 18220
7402 1 15 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.624 0.276 18220
7403 1 15 . 1 1 33 33 GLY H H 24 8.264 8.264 7.848 0.416 18220
7404 1 15 . 1 1 34 34 GLY N N 25 108.563 108.563 108.010 0.553 18220
7405 1 15 . 1 1 34 34 GLY C C 25 171.701 171.701 173.515 -1.814 18220
7406 1 15 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.818 -0.218 18220
7407 1 15 . 1 1 34 34 GLY H H 25 8.208 8.208 7.917 0.291 18220
7408 1 15 . 1 1 35 35 VAL N N 26 121.164 121.164 120.701 0.463 18220
7409 1 15 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.048 -0.038 18220
7410 1 15 . 1 1 35 35 VAL C C 26 175.888 175.888 174.812 1.076 18220
7411 1 15 . 1 1 35 35 VAL CA C 26 63.900 63.900 64.347 -0.448 18220
7412 1 15 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.177 -0.487 18220
7413 1 15 . 1 1 35 35 VAL H H 26 8.485 8.485 8.637 -0.152 18220
7414 1 15 . 1 1 36 36 PRO C C 27 177.660 177.660 176.670 0.990 18220
7415 1 15 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.987 -1.140 18220
7416 1 15 . 1 1 37 37 SER N N 28 116.023 116.023 113.274 2.749 18220
7417 1 15 . 1 1 37 37 SER HA H 28 4.280 4.280 4.555 -0.275 18220
7418 1 15 . 1 1 37 37 SER CA C 28 61.100 61.100 58.877 2.223 18220
7419 1 15 . 1 1 37 37 SER H H 28 7.948 7.948 8.240 -0.292 18220
7420 1 15 . 1 1 38 38 LEU N N 29 124.029 124.029 123.713 0.316 18220
7421 1 15 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.973 0.197 18220
7422 1 15 . 1 1 38 38 LEU C C 29 176.132 176.132 178.588 -2.456 18220
7423 1 15 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.145 -0.645 18220
7424 1 15 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.484 0.554 18220
7425 1 15 . 1 1 38 38 LEU H H 29 8.201 8.201 8.167 0.034 18220
7426 1 15 . 1 1 39 39 ILE N N 30 117.098 117.098 117.805 -0.707 18220
7427 1 15 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.666 0.704 18220
7428 1 15 . 1 1 39 39 ILE C C 30 176.478 176.478 177.804 -1.326 18220
7429 1 15 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.547 -1.468 18220
7430 1 15 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.187 -0.214 18220
7431 1 15 . 1 1 39 39 ILE H H 30 7.662 7.662 8.047 -0.385 18220
7432 1 15 . 1 1 40 40 ALA N N 31 122.447 122.447 121.915 0.532 18220
7433 1 15 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.094 -0.060 18220
7434 1 15 . 1 1 40 40 ALA C C 31 177.067 177.067 179.791 -2.724 18220
7435 1 15 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.262 0.700 18220
7436 1 15 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.828 0.028 18220
7437 1 15 . 1 1 40 40 ALA H H 31 8.096 8.096 8.031 0.065 18220
7438 1 15 . 1 1 41 41 GLY N N 32 104.056 104.056 106.925 -2.869 18220
7439 1 15 . 1 1 41 41 GLY C C 32 174.251 174.251 176.385 -2.134 18220
7440 1 15 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.842 -0.342 18220
7441 1 15 . 1 1 41 41 GLY H H 32 8.123 8.123 8.181 -0.058 18220
7442 1 15 . 1 1 42 42 LEU N N 33 123.250 123.250 123.934 -0.684 18220
7443 1 15 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.241 -0.384 18220
7444 1 15 . 1 1 42 42 LEU C C 33 176.033 176.033 177.863 -1.830 18220
7445 1 15 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.094 -0.426 18220
7446 1 15 . 1 1 42 42 LEU CB C 33 41.721 41.721 40.957 0.764 18220
7447 1 15 . 1 1 42 42 LEU H H 33 7.914 7.914 8.073 -0.159 18220
7448 1 15 . 1 1 43 43 PHE N N 34 119.757 119.757 120.786 -1.029 18220
7449 1 15 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.160 0.040 18220
7450 1 15 . 1 1 43 43 PHE C C 34 174.374 174.374 177.681 -3.307 18220
7451 1 15 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.002 -2.126 18220
7452 1 15 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.910 -0.076 18220
7453 1 15 . 1 1 43 43 PHE H H 34 8.287 8.287 8.549 -0.262 18220
7454 1 15 . 1 1 44 44 VAL N N 35 117.791 117.791 118.883 -1.092 18220
7455 1 15 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.518 0.092 18220
7456 1 15 . 1 1 44 44 VAL C C 35 176.205 176.205 178.025 -1.820 18220
7457 1 15 . 1 1 44 44 VAL CA C 35 64.559 64.559 65.977 -1.418 18220
7458 1 15 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.302 0.130 18220
7459 1 15 . 1 1 44 44 VAL H H 35 8.235 8.235 8.430 -0.195 18220
7460 1 15 . 1 1 45 45 GLY N N 36 108.551 108.551 107.493 1.058 18220
7461 1 15 . 1 1 45 45 GLY C C 36 173.749 173.749 175.949 -2.200 18220
7462 1 15 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.462 -1.379 18220
7463 1 15 . 1 1 45 45 GLY H H 36 8.178 8.178 8.122 0.056 18220
7464 1 15 . 1 1 46 46 CYS N N 37 121.173 121.173 120.993 0.180 18220
7465 1 15 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.024 0.156 18220
7466 1 15 . 1 1 46 46 CYS C C 37 173.710 173.710 176.911 -3.201 18220
7467 1 15 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.185 -1.185 18220
7468 1 15 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.894 32.389 18220
7469 1 15 . 1 1 46 46 CYS H H 37 8.253 8.253 8.126 0.127 18220
7470 1 15 . 1 1 47 47 LEU N N 38 120.283 120.283 121.016 -0.733 18220
7471 1 15 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.658 0.402 18220
7472 1 15 . 1 1 47 47 LEU C C 38 176.679 176.679 178.079 -1.400 18220
7473 1 15 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.984 -1.957 18220
7474 1 15 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.806 -0.342 18220
7475 1 15 . 1 1 47 47 LEU H H 38 7.965 7.965 7.883 0.082 18220
7476 1 15 . 1 1 48 48 ALA N N 39 122.249 122.249 119.452 2.797 18220
7477 1 15 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.980 0.162 18220
7478 1 15 . 1 1 48 48 ALA C C 39 177.915 177.915 179.737 -1.822 18220
7479 1 15 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.291 -1.574 18220
7480 1 15 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.014 -0.029 18220
7481 1 15 . 1 1 48 48 ALA H H 39 8.066 8.066 8.208 -0.142 18220
7482 1 15 . 1 1 49 49 GLY N N 40 107.377 107.377 107.120 0.257 18220
7483 1 15 . 1 1 49 49 GLY C C 40 172.527 172.527 175.934 -3.407 18220
7484 1 15 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.111 -1.661 18220
7485 1 15 . 1 1 49 49 GLY H H 40 8.172 8.172 8.183 -0.011 18220
7486 1 15 . 1 1 50 50 TYR N N 41 122.409 122.409 122.919 -0.510 18220
7487 1 15 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.003 -0.204 18220
7488 1 15 . 1 1 50 50 TYR C C 41 174.208 174.208 178.469 -4.261 18220
7489 1 15 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.194 -1.949 18220
7490 1 15 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.031 -0.095 18220
7491 1 15 . 1 1 50 50 TYR H H 41 7.800 7.800 8.221 -0.421 18220
7492 1 15 . 1 1 51 51 GLY N N 42 106.935 106.935 106.127 0.808 18220
7493 1 15 . 1 1 51 51 GLY C C 42 172.642 172.642 175.954 -3.312 18220
7494 1 15 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.726 -0.461 18220
7495 1 15 . 1 1 51 51 GLY H H 42 8.199 8.199 8.117 0.082 18220
7496 1 15 . 1 1 52 52 ALA N N 43 123.018 123.018 124.350 -1.332 18220
7497 1 15 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.002 0.148 18220
7498 1 15 . 1 1 52 52 ALA C C 43 176.398 176.398 178.233 -1.835 18220
7499 1 15 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.413 -1.530 18220
7500 1 15 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.438 -0.197 18220
7501 1 15 . 1 1 52 52 ALA H H 43 7.758 7.758 8.311 -0.553 18220
7502 1 15 . 1 1 53 53 TYR N N 44 119.664 119.664 117.142 2.522 18220
7503 1 15 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.289 0.029 18220
7504 1 15 . 1 1 53 53 TYR C C 44 174.180 174.180 177.044 -2.864 18220
7505 1 15 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.069 -2.477 18220
7506 1 15 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.984 -0.792 18220
7507 1 15 . 1 1 53 53 TYR H H 44 7.920 7.920 7.821 0.099 18220
7508 1 15 . 1 1 54 54 ARG N N 45 119.516 119.516 117.897 1.619 18220
7509 1 15 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.324 -0.394 18220
7510 1 15 . 1 1 54 54 ARG C C 45 174.423 174.423 176.857 -2.434 18220
7511 1 15 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.334 -1.307 18220
7512 1 15 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.893 -1.720 18220
7513 1 15 . 1 1 54 54 ARG H H 45 7.956 7.956 8.205 -0.249 18220
7514 1 15 . 1 1 55 55 VAL N N 46 116.437 116.437 121.128 -4.691 18220
7515 1 15 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.949 0.111 18220
7516 1 15 . 1 1 55 55 VAL C C 46 173.806 173.806 175.187 -1.381 18220
7517 1 15 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.047 -0.747 18220
7518 1 15 . 1 1 55 55 VAL CB C 46 31.521 31.521 29.497 2.024 18220
7519 1 15 . 1 1 55 55 VAL H H 46 7.489 7.489 7.980 -0.491 18220
7520 1 15 . 1 1 56 56 SER N N 47 117.185 117.185 118.746 -1.561 18220
7521 1 15 . 1 1 56 56 SER HA H 47 4.401 4.401 4.177 0.224 18220
7522 1 15 . 1 1 56 56 SER C C 47 172.074 172.074 172.652 -0.578 18220
7523 1 15 . 1 1 56 56 SER CA C 47 58.133 58.133 58.663 -0.530 18220
7524 1 15 . 1 1 56 56 SER CB C 47 63.468 63.468 63.039 0.429 18220
7525 1 15 . 1 1 56 56 SER H H 47 7.728 7.728 8.155 -0.427 18220
7526 1 15 . 1 1 57 57 ASN N N 48 121.049 121.049 119.956 1.093 18220
7527 1 15 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.863 -0.273 18220
7528 1 15 . 1 1 57 57 ASN CA C 48 53.600 53.600 52.337 1.263 18220
7529 1 15 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.750 -1.109 18220
7530 1 15 . 1 1 57 57 ASN H H 48 8.228 8.228 8.462 -0.234 18220
7531 1 15 . 1 1 58 58 ASP N N 49 120.276 120.276 120.710 -0.434 18220
7532 1 15 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.607 -0.077 18220
7533 1 15 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.425 -0.223 18220
7534 1 15 . 1 1 58 58 ASP CB C 49 40.374 40.374 40.443 -0.069 18220
7535 1 15 . 1 1 58 58 ASP H H 49 8.192 8.192 8.410 -0.218 18220
7536 1 15 . 1 1 59 59 LYS N N 50 120.660 120.660 117.703 2.957 18220
7537 1 15 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.903 0.297 18220
7538 1 15 . 1 1 59 59 LYS C C 50 173.474 173.474 176.668 -3.194 18220
7539 1 15 . 1 1 59 59 LYS CA C 50 56.300 56.300 58.666 -2.366 18220
7540 1 15 . 1 1 59 59 LYS CB C 50 32.034 32.034 32.023 0.011 18220
7541 1 15 . 1 1 59 59 LYS H H 50 8.003 8.003 8.370 -0.367 18220
7542 1 15 . 1 1 60 60 ARG N N 51 121.278 121.278 116.785 4.493 18220
7543 1 15 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.458 -0.258 18220
7544 1 15 . 1 1 60 60 ARG C C 51 173.303 173.303 173.534 -0.231 18220
7545 1 15 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.818 -0.534 18220
7546 1 15 . 1 1 60 60 ARG CB C 51 30.238 30.238 33.233 -2.995 18220
7547 1 15 . 1 1 60 60 ARG H H 51 8.091 8.091 8.422 -0.331 18220
7548 1 15 . 1 1 61 61 ASP N N 52 121.185 121.185 117.810 3.375 18220
7549 1 15 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.755 -0.140 18220
7550 1 15 . 1 1 61 61 ASP C C 52 173.777 173.777 174.722 -0.945 18220
7551 1 15 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.730 -0.751 18220
7552 1 15 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.498 -1.252 18220
7553 1 15 . 1 1 61 61 ASP H H 52 8.261 8.261 8.077 0.184 18220
7554 1 15 . 1 1 62 62 VAL N N 53 121.902 121.902 123.231 -1.329 18220
7555 1 15 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.153 -0.203 18220
7556 1 15 . 1 1 62 62 VAL C C 53 173.279 173.279 176.522 -3.243 18220
7557 1 15 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.783 -0.607 18220
7558 1 15 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.291 -0.192 18220
7559 1 15 . 1 1 62 62 VAL H H 53 7.997 7.997 8.485 -0.488 18220
7560 1 15 . 1 1 63 63 LYS N N 54 123.522 123.522 121.840 1.682 18220
7561 1 15 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.132 0.128 18220
7562 1 15 . 1 1 63 63 LYS C C 54 174.481 174.481 178.328 -3.847 18220
7563 1 15 . 1 1 63 63 LYS CA C 54 56.347 56.347 58.770 -2.422 18220
7564 1 15 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.131 -0.032 18220
7565 1 15 . 1 1 63 63 LYS H H 54 8.054 8.054 7.968 0.086 18220
7566 1 15 . 1 1 64 64 VAL N N 55 120.647 120.647 119.268 1.379 18220
7567 1 15 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.586 0.361 18220
7568 1 15 . 1 1 64 64 VAL C C 55 174.955 174.955 177.648 -2.693 18220
7569 1 15 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.814 -2.215 18220
7570 1 15 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.663 0.214 18220
7571 1 15 . 1 1 64 64 VAL H H 55 8.225 8.225 8.315 -0.090 18220
7572 1 15 . 1 1 65 65 SER N N 56 117.785 117.785 113.693 4.092 18220
7573 1 15 . 1 1 65 65 SER HA H 56 4.390 4.390 4.168 0.222 18220
7574 1 15 . 1 1 65 65 SER C C 56 172.300 172.300 176.387 -4.087 18220
7575 1 15 . 1 1 65 65 SER CA C 56 60.000 60.000 61.901 -1.901 18220
7576 1 15 . 1 1 65 65 SER CB C 56 62.879 62.879 62.896 -0.017 18220
7577 1 15 . 1 1 65 65 SER H H 56 8.260 8.260 8.288 -0.028 18220
7578 1 15 . 1 1 66 66 LEU N N 57 123.318 123.318 122.068 1.250 18220
7579 1 15 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.101 -0.011 18220
7580 1 15 . 1 1 66 66 LEU C C 57 175.932 175.932 178.150 -2.218 18220
7581 1 15 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.844 -0.342 18220
7582 1 15 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.956 -0.235 18220
7583 1 15 . 1 1 66 66 LEU H H 57 8.091 8.091 7.752 0.339 18220
7584 1 15 . 1 1 67 67 PHE N N 58 118.020 118.020 118.358 -0.338 18220
7585 1 15 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.375 -0.045 18220
7586 1 15 . 1 1 67 67 PHE C C 58 174.912 174.912 176.958 -2.046 18220
7587 1 15 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.067 -0.467 18220
7588 1 15 . 1 1 67 67 PHE CB C 58 38.552 38.552 39.055 -0.503 18220
7589 1 15 . 1 1 67 67 PHE H H 58 8.066 8.066 8.486 -0.420 18220
7590 1 15 . 1 1 68 68 THR N N 59 115.324 115.324 118.334 -3.010 18220
7591 1 15 . 1 1 68 68 THR HA H 59 4.310 4.310 3.910 0.400 18220
7592 1 15 . 1 1 68 68 THR C C 59 173.380 173.380 176.419 -3.039 18220
7593 1 15 . 1 1 68 68 THR CA C 59 66.313 66.313 66.305 0.008 18220
7594 1 15 . 1 1 68 68 THR CB C 59 67.700 67.700 68.319 -0.619 18220
7595 1 15 . 1 1 68 68 THR H H 59 8.287 8.287 8.331 -0.044 18220
7596 1 15 . 1 1 69 69 ALA N N 60 123.621 123.621 124.105 -0.484 18220
7597 1 15 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.271 0.009 18220
7598 1 15 . 1 1 69 69 ALA C C 60 176.978 176.978 179.491 -2.513 18220
7599 1 15 . 1 1 69 69 ALA CA C 60 55.100 55.100 54.749 0.351 18220
7600 1 15 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.146 -0.418 18220
7601 1 15 . 1 1 69 69 ALA H H 60 7.983 7.983 8.317 -0.334 18220
7602 1 15 . 1 1 70 70 PHE N N 61 118.520 118.520 120.918 -2.398 18220
7603 1 15 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.144 0.116 18220
7604 1 15 . 1 1 70 70 PHE C C 61 175.369 175.369 176.963 -1.594 18220
7605 1 15 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.703 -1.524 18220
7606 1 15 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.298 -0.592 18220
7607 1 15 . 1 1 70 70 PHE H H 61 8.007 8.007 8.346 -0.339 18220
7608 1 15 . 1 1 71 71 PHE N N 62 122.314 122.314 119.377 2.937 18220
7609 1 15 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.229 -0.229 18220
7610 1 15 . 1 1 71 71 PHE C C 62 174.697 174.697 177.370 -2.673 18220
7611 1 15 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.873 -1.356 18220
7612 1 15 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.919 -0.148 18220
7613 1 15 . 1 1 71 71 PHE H H 62 8.546 8.546 8.124 0.422 18220
7614 1 15 . 1 1 72 72 LEU N N 63 119.399 119.399 120.380 -0.981 18220
7615 1 15 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.793 0.077 18220
7616 1 15 . 1 1 72 72 LEU C C 63 175.774 175.774 178.436 -2.662 18220
7617 1 15 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.551 -1.626 18220
7618 1 15 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.775 -0.568 18220
7619 1 15 . 1 1 72 72 LEU H H 63 8.396 8.396 8.099 0.297 18220
7620 1 15 . 1 1 73 73 ALA N N 64 120.221 120.221 120.358 -0.137 18220
7621 1 15 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.771 0.189 18220
7622 1 15 . 1 1 73 73 ALA C C 64 177.267 177.267 179.306 -2.039 18220
7623 1 15 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.281 -0.681 18220
7624 1 15 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.890 -0.106 18220
7625 1 15 . 1 1 73 73 ALA H H 64 8.025 8.025 8.265 -0.240 18220
7626 1 15 . 1 1 74 74 THR N N 65 113.648 113.648 114.752 -1.104 18220
7627 1 15 . 1 1 74 74 THR HA H 65 3.980 3.980 3.770 0.210 18220
7628 1 15 . 1 1 74 74 THR CA C 65 66.291 66.291 66.432 -0.141 18220
7629 1 15 . 1 1 74 74 THR CB C 65 67.914 67.914 68.478 -0.564 18220
7630 1 15 . 1 1 74 74 THR H H 65 7.717 7.717 7.731 -0.014 18220
7631 1 15 . 1 1 75 75 ILE N N 66 120.291 120.291 119.722 0.569 18220
7632 1 15 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.677 0.063 18220
7633 1 15 . 1 1 75 75 ILE C C 66 174.951 174.951 176.781 -1.830 18220
7634 1 15 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.476 1.404 18220
7635 1 15 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.095 -0.929 18220
7636 1 15 . 1 1 75 75 ILE H H 66 7.738 7.738 7.864 -0.126 18220
7637 1 15 . 1 1 76 76 MET N N 67 117.618 117.618 117.969 -0.351 18220
7638 1 15 . 1 1 76 76 MET HA H 67 4.220 4.220 4.442 -0.222 18220
7639 1 15 . 1 1 76 76 MET C C 67 175.142 175.142 176.613 -1.471 18220
7640 1 15 . 1 1 76 76 MET CA C 67 56.723 56.723 56.978 -0.255 18220
7641 1 15 . 1 1 76 76 MET CB C 67 31.951 31.951 34.754 -2.803 18220
7642 1 15 . 1 1 76 76 MET H H 67 7.823 7.823 7.781 0.042 18220
7643 1 15 . 1 1 77 77 GLY N N 68 107.110 107.110 106.219 0.891 18220
7644 1 15 . 1 1 77 77 GLY C C 68 172.260 172.260 172.298 -0.038 18220
7645 1 15 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.454 0.346 18220
7646 1 15 . 1 1 77 77 GLY H H 68 7.937 7.937 8.284 -0.347 18220
7647 1 15 . 1 1 78 78 VAL N N 69 120.431 120.431 119.889 0.542 18220
7648 1 15 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.392 -0.172 18220
7649 1 15 . 1 1 78 78 VAL CA C 69 63.900 63.900 61.733 2.167 18220
7650 1 15 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.494 0.012 18220
7651 1 15 . 1 1 78 78 VAL H H 69 7.697 7.697 8.394 -0.697 18220
7652 1 15 . 1 1 79 79 ARG N N 70 121.420 121.420 122.276 -0.856 18220
7653 1 15 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.488 -0.678 18220
7654 1 15 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.345 0.055 18220
7655 1 15 . 1 1 79 79 ARG CB C 70 30.097 30.097 31.698 -1.601 18220
7656 1 15 . 1 1 79 79 ARG H H 70 7.889 7.889 8.252 -0.363 18220
7657 1 15 . 1 1 80 80 PHE N N 71 119.949 119.949 122.464 -2.515 18220
7658 1 15 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.597 -0.087 18220
7659 1 15 . 1 1 80 80 PHE CA C 71 58.600 58.600 57.844 0.756 18220
7660 1 15 . 1 1 80 80 PHE CB C 71 39.145 39.145 38.926 0.219 18220
7661 1 15 . 1 1 80 80 PHE H H 71 8.101 8.101 8.484 -0.383 18220
7662 1 15 . 1 1 81 81 LYS N N 72 122.193 122.193 123.373 -1.180 18220
7663 1 15 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.314 0.486 18220
7664 1 15 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.891 -1.569 18220
7665 1 15 . 1 1 81 81 LYS H H 72 8.090 8.090 7.983 0.107 18220
7666 1 15 . 1 1 82 82 ARG N N 73 119.650 119.650 121.174 -1.524 18220
7667 1 15 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.910 -0.821 18220
7668 1 15 . 1 1 82 82 ARG CB C 73 30.171 30.171 29.791 0.380 18220
7669 1 15 . 1 1 82 82 ARG H H 73 8.052 8.052 8.356 -0.304 18220
7670 1 15 . 1 1 83 83 SER N N 74 115.734 115.734 116.775 -1.041 18220
7671 1 15 . 1 1 83 83 SER CA C 74 58.355 58.355 58.155 0.200 18220
7672 1 15 . 1 1 83 83 SER CB C 74 63.404 63.404 65.458 -2.054 18220
7673 1 15 . 1 1 83 83 SER H H 74 7.912 7.912 8.264 -0.352 18220
7674 1 15 . 1 1 84 84 LYS N N 75 122.370 122.370 121.720 0.650 18220
7675 1 15 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.382 -0.247 18220
7676 1 15 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.657 -0.482 18220
7677 1 15 . 1 1 84 84 LYS H H 75 8.067 8.067 8.370 -0.303 18220
7678 1 15 . 1 1 86 86 ILE N N 77 119.592 119.592 118.386 1.206 18220
7679 1 15 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.495 -0.685 18220
7680 1 15 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.816 3.084 18220
7681 1 15 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.669 0.476 18220
7682 1 15 . 1 1 86 86 ILE H H 77 7.837 7.837 8.548 -0.711 18220
7683 1 15 . 1 1 87 87 MET N N 78 121.645 121.645 122.109 -0.464 18220
7684 1 15 . 1 1 87 87 MET CA C 78 52.982 52.982 56.500 -3.518 18220
7685 1 15 . 1 1 87 87 MET CB C 78 32.173 32.173 30.988 1.185 18220
7686 1 15 . 1 1 87 87 MET H H 78 7.950 7.950 8.923 -0.973 18220
7687 1 15 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.395 -0.255 18220
7688 1 15 . 1 1 88 88 PRO C C 79 173.921 173.921 178.084 -4.163 18220
7689 1 15 . 1 1 88 88 PRO CA C 79 62.800 62.800 65.635 -2.834 18220
7690 1 15 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.607 -0.471 18220
7691 1 15 . 1 1 89 89 ALA N N 80 124.431 124.431 121.411 3.020 18220
7692 1 15 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.044 0.356 18220
7693 1 15 . 1 1 89 89 ALA C C 80 176.234 176.234 179.775 -3.541 18220
7694 1 15 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.033 -1.733 18220
7695 1 15 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.167 0.331 18220
7696 1 15 . 1 1 89 89 ALA H H 80 8.320 8.320 8.551 -0.231 18220
7697 1 15 . 1 1 90 90 GLY N N 81 106.834 106.834 107.079 -0.245 18220
7698 1 15 . 1 1 90 90 GLY C C 81 172.398 172.398 176.226 -3.828 18220
7699 1 15 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.348 -1.748 18220
7700 1 15 . 1 1 90 90 GLY H H 81 8.458 8.458 8.492 -0.034 18220
7701 1 15 . 1 1 91 91 LEU N N 82 121.043 121.043 122.451 -1.408 18220
7702 1 15 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.086 0.114 18220
7703 1 15 . 1 1 91 91 LEU C C 82 174.783 174.783 179.028 -4.245 18220
7704 1 15 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.586 -1.286 18220
7705 1 15 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.255 0.851 18220
7706 1 15 . 1 1 91 91 LEU H H 82 7.687 7.687 7.584 0.103 18220
7707 1 15 . 1 1 92 92 VAL N N 83 114.737 114.737 118.861 -4.124 18220
7708 1 15 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.599 0.381 18220
7709 1 15 . 1 1 92 92 VAL C C 83 173.634 173.634 177.818 -4.184 18220
7710 1 15 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.780 -4.380 18220
7711 1 15 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.107 0.478 18220
7712 1 15 . 1 1 92 92 VAL H H 83 7.602 7.602 7.826 -0.224 18220
7713 1 15 . 1 1 93 93 ALA N N 84 124.320 124.320 121.609 2.711 18220
7714 1 15 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.149 0.001 18220
7715 1 15 . 1 1 93 93 ALA C C 84 175.746 175.746 179.884 -4.138 18220
7716 1 15 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.236 -1.936 18220
7717 1 15 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.929 0.312 18220
7718 1 15 . 1 1 93 93 ALA H H 84 7.891 7.891 8.150 -0.259 18220
7719 1 15 . 1 1 94 94 GLY N N 85 106.807 106.807 108.077 -1.270 18220
7720 1 15 . 1 1 94 94 GLY C C 85 171.752 171.752 175.686 -3.934 18220
7721 1 15 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.647 -1.398 18220
7722 1 15 . 1 1 94 94 GLY H H 85 8.204 8.204 8.113 0.091 18220
7723 1 15 . 1 1 95 95 LEU N N 86 121.266 121.266 123.168 -1.902 18220
7724 1 15 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.005 0.375 18220
7725 1 15 . 1 1 95 95 LEU C C 86 173.702 173.702 178.866 -5.164 18220
7726 1 15 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.617 -2.617 18220
7727 1 15 . 1 1 95 95 LEU CB C 86 42.298 42.298 42.077 0.221 18220
7728 1 15 . 1 1 95 95 LEU H H 86 7.718 7.718 8.359 -0.641 18220
7729 1 15 . 1 1 96 96 SER N N 87 115.658 115.658 115.281 0.377 18220
7730 1 15 . 1 1 96 96 SER HA H 87 4.370 4.370 4.096 0.274 18220
7731 1 15 . 1 1 96 96 SER C C 87 172.479 172.479 176.713 -4.234 18220
7732 1 15 . 1 1 96 96 SER CA C 87 57.200 57.200 62.421 -5.221 18220
7733 1 15 . 1 1 96 96 SER CB C 87 64.174 64.174 63.169 1.006 18220
7734 1 15 . 1 1 96 96 SER H H 87 7.659 7.659 8.019 -0.360 18220
7735 1 15 . 1 1 97 97 LEU N N 88 123.720 123.720 122.706 1.014 18220
7736 1 15 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.880 0.720 18220
7737 1 15 . 1 1 97 97 LEU C C 88 175.932 175.932 179.098 -3.166 18220
7738 1 15 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.250 -0.650 18220
7739 1 15 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.011 -0.611 18220
7740 1 15 . 1 1 97 97 LEU H H 88 8.733 8.733 8.116 0.617 18220
7741 1 15 . 1 1 98 98 MET N N 89 116.684 116.684 117.345 -0.661 18220
7742 1 15 . 1 1 98 98 MET HA H 89 4.280 4.280 4.032 0.248 18220
7743 1 15 . 1 1 98 98 MET C C 89 175.789 175.789 178.776 -2.987 18220
7744 1 15 . 1 1 98 98 MET CA C 89 56.915 56.915 58.419 -1.504 18220
7745 1 15 . 1 1 98 98 MET CB C 89 31.007 31.007 32.059 -1.052 18220
7746 1 15 . 1 1 98 98 MET H H 89 8.342 8.342 8.154 0.188 18220
7747 1 15 . 1 1 99 99 MET N N 90 119.182 119.182 119.193 -0.011 18220
7748 1 15 . 1 1 99 99 MET HA H 90 4.110 4.110 4.022 0.088 18220
7749 1 15 . 1 1 99 99 MET C C 90 175.588 175.588 178.930 -3.342 18220
7750 1 15 . 1 1 99 99 MET CA C 90 57.951 57.951 59.222 -1.271 18220
7751 1 15 . 1 1 99 99 MET CB C 90 32.226 32.226 32.295 -0.069 18220
7752 1 15 . 1 1 99 99 MET H H 90 7.720 7.720 8.129 -0.409 18220
7753 1 15 . 1 1 100 100 ILE N N 91 119.077 119.077 117.443 1.634 18220
7754 1 15 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.609 0.501 18220
7755 1 15 . 1 1 100 100 ILE C C 91 174.634 174.634 177.752 -3.118 18220
7756 1 15 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.725 -0.625 18220
7757 1 15 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.170 -0.027 18220
7758 1 15 . 1 1 100 100 ILE H H 91 7.662 7.662 8.110 -0.448 18220
7759 1 15 . 1 1 101 101 LEU N N 92 119.646 119.646 120.864 -1.218 18220
7760 1 15 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.920 0.610 18220
7761 1 15 . 1 1 101 101 LEU C C 92 175.430 175.430 179.360 -3.930 18220
7762 1 15 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.664 -0.864 18220
7763 1 15 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.638 -0.880 18220
7764 1 15 . 1 1 101 101 LEU H H 92 8.142 8.142 8.156 -0.014 18220
7765 1 15 . 1 1 102 102 ARG N N 93 116.394 116.394 118.196 -1.802 18220
7766 1 15 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.039 0.101 18220
7767 1 15 . 1 1 102 102 ARG C C 93 175.961 175.961 178.521 -2.560 18220
7768 1 15 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.623 0.477 18220
7769 1 15 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.859 -0.455 18220
7770 1 15 . 1 1 102 102 ARG H H 93 7.893 7.893 8.118 -0.225 18220
7771 1 15 . 1 1 103 103 LEU N N 94 119.114 119.114 121.398 -2.284 18220
7772 1 15 . 1 1 103 103 LEU HA H 94 4.110 4.110 3.968 0.142 18220
7773 1 15 . 1 1 103 103 LEU C C 94 175.889 175.889 178.665 -2.776 18220
7774 1 15 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.800 -1.500 18220
7775 1 15 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.781 -0.485 18220
7776 1 15 . 1 1 103 103 LEU H H 94 7.622 7.622 8.053 -0.431 18220
7777 1 15 . 1 1 104 104 VAL N N 95 117.704 117.704 118.827 -1.123 18220
7778 1 15 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.687 -0.157 18220
7779 1 15 . 1 1 104 104 VAL C C 95 175.042 175.042 178.056 -3.014 18220
7780 1 15 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.758 0.661 18220
7781 1 15 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.180 0.177 18220
7782 1 15 . 1 1 104 104 VAL H H 95 8.026 8.026 7.704 0.322 18220
7783 1 15 . 1 1 105 105 LEU N N 96 117.185 117.185 120.314 -3.129 18220
7784 1 15 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.930 0.050 18220
7785 1 15 . 1 1 105 105 LEU C C 96 176.579 176.579 178.405 -1.826 18220
7786 1 15 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.976 -1.176 18220
7787 1 15 . 1 1 105 105 LEU CB C 96 40.951 40.951 40.919 0.032 18220
7788 1 15 . 1 1 105 105 LEU H H 96 7.893 7.893 7.477 0.416 18220
7789 1 15 . 1 1 106 106 LEU N N 97 118.471 118.471 117.494 0.977 18220
7790 1 15 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.937 0.243 18220
7791 1 15 . 1 1 106 106 LEU C C 97 175.802 175.802 178.632 -2.830 18220
7792 1 15 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.126 -0.826 18220
7793 1 15 . 1 1 106 106 LEU CB C 97 41.592 41.592 42.082 -0.490 18220
7794 1 15 . 1 1 106 106 LEU H H 97 7.545 7.545 7.686 -0.141 18220
7795 1 15 . 1 1 107 107 LEU N N 98 118.162 118.162 119.079 -0.917 18220
7796 1 15 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.169 0.061 18220
7797 1 15 . 1 1 107 107 LEU C C 98 174.174 174.174 178.062 -3.888 18220
7798 1 15 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.877 -0.594 18220
7799 1 15 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.387 -0.025 18220
7800 1 15 . 1 1 107 107 LEU H H 98 7.688 7.688 7.843 -0.155 18220
7801 1 16 . 1 1 11 11 ASP N N 2 120.536 120.536 125.748 -5.212 18220
7802 1 16 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.680 1.238 18220
7803 1 16 . 1 1 11 11 ASP CB C 2 37.959 37.959 42.088 -4.129 18220
7804 1 16 . 1 1 11 11 ASP H H 2 7.863 7.863 8.522 -0.659 18220
7805 1 16 . 1 1 12 12 LEU N N 3 121.414 121.414 125.676 -4.262 18220
7806 1 16 . 1 1 12 12 LEU C C 3 176.162 176.162 175.205 0.957 18220
7807 1 16 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.400 2.200 18220
7808 1 16 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.934 -1.277 18220
7809 1 16 . 1 1 12 12 LEU H H 3 8.285 8.285 8.032 0.253 18220
7810 1 16 . 1 1 13 13 ILE N N 4 118.854 118.854 122.593 -3.739 18220
7811 1 16 . 1 1 13 13 ILE HA H 4 3.740 3.740 5.217 -1.477 18220
7812 1 16 . 1 1 13 13 ILE C C 4 175.228 175.228 175.410 -0.182 18220
7813 1 16 . 1 1 13 13 ILE CA C 4 64.500 64.500 60.547 3.953 18220
7814 1 16 . 1 1 13 13 ILE CB C 4 37.102 37.102 40.789 -3.687 18220
7815 1 16 . 1 1 13 13 ILE H H 4 8.031 8.031 8.749 -0.718 18220
7816 1 16 . 1 1 14 14 GLY N N 5 107.478 107.478 110.567 -3.089 18220
7817 1 16 . 1 1 14 14 GLY C C 5 174.424 174.424 173.717 0.707 18220
7818 1 16 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.073 1.986 18220
7819 1 16 . 1 1 14 14 GLY H H 5 8.148 8.148 8.167 -0.019 18220
7820 1 16 . 1 1 15 15 PHE N N 6 122.774 122.774 123.799 -1.025 18220
7821 1 16 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.391 0.089 18220
7822 1 16 . 1 1 15 15 PHE C C 6 175.113 175.113 177.392 -2.279 18220
7823 1 16 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.816 0.201 18220
7824 1 16 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.188 -0.414 18220
7825 1 16 . 1 1 15 15 PHE H H 6 8.194 8.194 8.923 -0.729 18220
7826 1 16 . 1 1 16 16 GLY N N 7 107.938 107.938 107.830 0.108 18220
7827 1 16 . 1 1 16 16 GLY C C 7 171.838 171.838 176.060 -4.222 18220
7828 1 16 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.647 -0.547 18220
7829 1 16 . 1 1 16 16 GLY H H 7 8.697 8.697 8.614 0.083 18220
7830 1 16 . 1 1 17 17 TYR N N 8 121.785 121.785 122.528 -0.743 18220
7831 1 16 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.140 0.010 18220
7832 1 16 . 1 1 17 17 TYR C C 8 174.180 174.180 177.975 -3.795 18220
7833 1 16 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.235 0.065 18220
7834 1 16 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.074 -0.115 18220
7835 1 16 . 1 1 17 17 TYR H H 8 8.710 8.710 8.495 0.215 18220
7836 1 16 . 1 1 18 18 ALA N N 9 120.233 120.233 120.511 -0.278 18220
7837 1 16 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.910 0.040 18220
7838 1 16 . 1 1 18 18 ALA C C 9 178.059 178.059 178.967 -0.908 18220
7839 1 16 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.102 -0.230 18220
7840 1 16 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.631 -0.069 18220
7841 1 16 . 1 1 18 18 ALA H H 9 7.843 7.843 8.255 -0.412 18220
7842 1 16 . 1 1 19 19 ALA N N 10 121.797 121.797 121.195 0.602 18220
7843 1 16 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.185 -0.235 18220
7844 1 16 . 1 1 19 19 ALA C C 10 176.191 176.191 179.490 -3.299 18220
7845 1 16 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.534 0.066 18220
7846 1 16 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.283 -0.721 18220
7847 1 16 . 1 1 19 19 ALA H H 10 8.212 8.212 7.826 0.386 18220
7848 1 16 . 1 1 20 20 LEU N N 11 119.442 119.442 121.355 -1.913 18220
7849 1 16 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.191 -0.254 18220
7850 1 16 . 1 1 20 20 LEU C C 11 176.694 176.694 178.417 -1.723 18220
7851 1 16 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.145 -0.345 18220
7852 1 16 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.134 -0.912 18220
7853 1 16 . 1 1 20 20 LEU H H 11 8.065 8.065 7.873 0.192 18220
7854 1 16 . 1 1 21 21 VAL N N 12 118.323 118.323 118.498 -0.175 18220
7855 1 16 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.584 0.056 18220
7856 1 16 . 1 1 21 21 VAL C C 12 176.536 176.536 177.780 -1.244 18220
7857 1 16 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.602 -1.202 18220
7858 1 16 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.083 0.052 18220
7859 1 16 . 1 1 21 21 VAL H H 12 8.051 8.051 8.548 -0.497 18220
7860 1 16 . 1 1 22 22 THR N N 13 118.298 118.298 116.672 1.626 18220
7861 1 16 . 1 1 22 22 THR HA H 13 4.660 4.660 3.964 0.696 18220
7862 1 16 . 1 1 22 22 THR C C 13 173.734 173.734 176.479 -2.745 18220
7863 1 16 . 1 1 22 22 THR CA C 13 66.300 66.300 67.776 -1.476 18220
7864 1 16 . 1 1 22 22 THR CB C 13 67.775 67.775 68.691 -0.915 18220
7865 1 16 . 1 1 22 22 THR H H 13 7.944 7.944 7.994 -0.050 18220
7866 1 16 . 1 1 23 23 PHE N N 14 121.328 121.328 121.798 -0.470 18220
7867 1 16 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.114 0.226 18220
7868 1 16 . 1 1 23 23 PHE C C 14 174.783 174.783 177.759 -2.976 18220
7869 1 16 . 1 1 23 23 PHE CA C 14 60.500 60.500 60.854 -0.354 18220
7870 1 16 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.740 -0.114 18220
7871 1 16 . 1 1 23 23 PHE H H 14 8.567 8.567 8.420 0.147 18220
7872 1 16 . 1 1 24 24 GLY N N 15 106.871 106.871 106.615 0.256 18220
7873 1 16 . 1 1 24 24 GLY C C 15 172.858 172.858 175.940 -3.082 18220
7874 1 16 . 1 1 24 24 GLY CA C 15 46.900 46.900 46.727 0.173 18220
7875 1 16 . 1 1 24 24 GLY H H 15 8.475 8.475 8.367 0.108 18220
7876 1 16 . 1 1 25 25 SER N N 16 116.214 116.214 118.547 -2.333 18220
7877 1 16 . 1 1 25 25 SER HA H 16 4.280 4.280 4.066 0.214 18220
7878 1 16 . 1 1 25 25 SER CA C 16 60.300 60.300 61.894 -1.594 18220
7879 1 16 . 1 1 25 25 SER CB C 16 62.879 62.879 63.306 -0.427 18220
7880 1 16 . 1 1 25 25 SER H H 16 7.963 7.963 8.145 -0.182 18220
7881 1 16 . 1 1 26 26 ILE N N 17 121.024 121.024 119.004 2.020 18220
7882 1 16 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.751 0.195 18220
7883 1 16 . 1 1 26 26 ILE C C 17 173.935 173.935 177.905 -3.970 18220
7884 1 16 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.478 -1.378 18220
7885 1 16 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.480 0.627 18220
7886 1 16 . 1 1 26 26 ILE H H 17 7.676 7.676 8.004 -0.328 18220
7887 1 16 . 1 1 27 27 PHE N N 18 117.142 117.142 119.962 -2.820 18220
7888 1 16 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.078 0.352 18220
7889 1 16 . 1 1 27 27 PHE C C 18 173.504 173.504 176.806 -3.302 18220
7890 1 16 . 1 1 27 27 PHE CA C 18 58.500 58.500 61.238 -2.738 18220
7891 1 16 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.515 0.259 18220
7892 1 16 . 1 1 27 27 PHE H H 18 7.703 7.703 8.021 -0.318 18220
7893 1 16 . 1 1 28 28 GLY N N 19 107.303 107.303 104.139 3.164 18220
7894 1 16 . 1 1 28 28 GLY C C 19 171.593 171.593 174.823 -3.230 18220
7895 1 16 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.330 0.270 18220
7896 1 16 . 1 1 28 28 GLY H H 19 7.722 7.722 7.740 -0.018 18220
7897 1 16 . 1 1 29 29 TYR N N 20 119.862 119.862 123.766 -3.904 18220
7898 1 16 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.327 0.065 18220
7899 1 16 . 1 1 29 29 TYR C C 20 173.174 173.174 174.998 -1.824 18220
7900 1 16 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.228 0.272 18220
7901 1 16 . 1 1 29 29 TYR CB C 20 38.404 38.404 36.918 1.486 18220
7902 1 16 . 1 1 29 29 TYR H H 20 7.880 7.880 8.078 -0.198 18220
7903 1 16 . 1 1 30 30 LYS N N 21 122.335 122.335 120.665 1.670 18220
7904 1 16 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.488 -0.098 18220
7905 1 16 . 1 1 30 30 LYS C C 21 173.547 173.547 177.304 -3.757 18220
7906 1 16 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.616 -0.816 18220
7907 1 16 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.239 -0.843 18220
7908 1 16 . 1 1 30 30 LYS H H 21 7.934 7.934 8.601 -0.667 18220
7909 1 16 . 1 1 31 31 ARG N N 22 120.612 120.612 120.856 -0.244 18220
7910 1 16 . 1 1 31 31 ARG C C 22 173.547 173.547 176.377 -2.830 18220
7911 1 16 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.984 -0.150 18220
7912 1 16 . 1 1 31 31 ARG CB C 22 30.101 30.101 32.182 -2.081 18220
7913 1 16 . 1 1 31 31 ARG H H 22 7.905 7.905 7.912 -0.007 18220
7914 1 16 . 1 1 32 32 ARG N N 23 121.748 121.748 117.829 3.919 18220
7915 1 16 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.089 0.221 18220
7916 1 16 . 1 1 32 32 ARG C C 23 173.863 173.863 174.465 -0.602 18220
7917 1 16 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.544 -0.744 18220
7918 1 16 . 1 1 32 32 ARG CB C 23 30.245 30.245 29.697 0.548 18220
7919 1 16 . 1 1 32 32 ARG H H 23 8.175 8.175 8.352 -0.177 18220
7920 1 16 . 1 1 33 33 GLY N N 24 109.528 109.528 110.515 -0.987 18220
7921 1 16 . 1 1 33 33 GLY C C 24 171.752 171.752 173.823 -2.071 18220
7922 1 16 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.342 -0.442 18220
7923 1 16 . 1 1 33 33 GLY H H 24 8.264 8.264 8.802 -0.538 18220
7924 1 16 . 1 1 34 34 GLY N N 25 108.563 108.563 110.195 -1.632 18220
7925 1 16 . 1 1 34 34 GLY C C 25 171.701 171.701 174.229 -2.528 18220
7926 1 16 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.403 0.197 18220
7927 1 16 . 1 1 34 34 GLY H H 25 8.208 8.208 8.037 0.171 18220
7928 1 16 . 1 1 35 35 VAL N N 26 121.164 121.164 122.146 -0.982 18220
7929 1 16 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.182 -0.172 18220
7930 1 16 . 1 1 35 35 VAL C C 26 175.888 175.888 174.843 1.045 18220
7931 1 16 . 1 1 35 35 VAL CA C 26 63.900 63.900 60.698 3.202 18220
7932 1 16 . 1 1 35 35 VAL CB C 26 30.690 30.690 33.165 -2.475 18220
7933 1 16 . 1 1 35 35 VAL H H 26 8.485 8.485 8.061 0.424 18220
7934 1 16 . 1 1 36 36 PRO C C 27 177.660 177.660 175.574 2.086 18220
7935 1 16 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.502 -1.655 18220
7936 1 16 . 1 1 37 37 SER N N 28 116.023 116.023 117.659 -1.636 18220
7937 1 16 . 1 1 37 37 SER HA H 28 4.280 4.280 4.389 -0.109 18220
7938 1 16 . 1 1 37 37 SER CA C 28 61.100 61.100 59.353 1.747 18220
7939 1 16 . 1 1 37 37 SER H H 28 7.948 7.948 8.127 -0.179 18220
7940 1 16 . 1 1 38 38 LEU N N 29 124.029 124.029 124.827 -0.798 18220
7941 1 16 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.930 0.240 18220
7942 1 16 . 1 1 38 38 LEU C C 29 176.132 176.132 178.536 -2.404 18220
7943 1 16 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.534 -1.034 18220
7944 1 16 . 1 1 38 38 LEU CB C 29 42.038 42.038 42.268 -0.230 18220
7945 1 16 . 1 1 38 38 LEU H H 29 8.201 8.201 8.293 -0.092 18220
7946 1 16 . 1 1 39 39 ILE N N 30 117.098 117.098 117.689 -0.591 18220
7947 1 16 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.578 0.792 18220
7948 1 16 . 1 1 39 39 ILE C C 30 176.478 176.478 177.418 -0.940 18220
7949 1 16 . 1 1 39 39 ILE CA C 30 63.079 63.079 65.639 -2.560 18220
7950 1 16 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.353 -0.380 18220
7951 1 16 . 1 1 39 39 ILE H H 30 7.662 7.662 7.944 -0.281 18220
7952 1 16 . 1 1 40 40 ALA N N 31 122.447 122.447 121.735 0.712 18220
7953 1 16 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.042 -0.008 18220
7954 1 16 . 1 1 40 40 ALA C C 31 177.067 177.067 179.951 -2.884 18220
7955 1 16 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.201 0.761 18220
7956 1 16 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.757 0.099 18220
7957 1 16 . 1 1 40 40 ALA H H 31 8.096 8.096 7.893 0.203 18220
7958 1 16 . 1 1 41 41 GLY N N 32 104.056 104.056 106.734 -2.678 18220
7959 1 16 . 1 1 41 41 GLY C C 32 174.251 174.251 176.229 -1.978 18220
7960 1 16 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.675 -0.175 18220
7961 1 16 . 1 1 41 41 GLY H H 32 8.123 8.123 8.152 -0.029 18220
7962 1 16 . 1 1 42 42 LEU N N 33 123.250 123.250 123.730 -0.480 18220
7963 1 16 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.074 -0.217 18220
7964 1 16 . 1 1 42 42 LEU C C 33 176.033 176.033 178.646 -2.613 18220
7965 1 16 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.425 -1.757 18220
7966 1 16 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.928 -0.207 18220
7967 1 16 . 1 1 42 42 LEU H H 33 7.914 7.914 7.988 -0.074 18220
7968 1 16 . 1 1 43 43 PHE N N 34 119.757 119.757 118.588 1.169 18220
7969 1 16 . 1 1 43 43 PHE HA H 34 4.200 4.200 3.979 0.221 18220
7970 1 16 . 1 1 43 43 PHE C C 34 174.374 174.374 177.819 -3.445 18220
7971 1 16 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.758 -2.882 18220
7972 1 16 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.897 -0.063 18220
7973 1 16 . 1 1 43 43 PHE H H 34 8.287 8.287 8.279 0.008 18220
7974 1 16 . 1 1 44 44 VAL N N 35 117.791 117.791 118.338 -0.547 18220
7975 1 16 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.621 -0.011 18220
7976 1 16 . 1 1 44 44 VAL C C 35 176.205 176.205 177.978 -1.773 18220
7977 1 16 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.783 -3.224 18220
7978 1 16 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.766 -0.334 18220
7979 1 16 . 1 1 44 44 VAL H H 35 8.235 8.235 8.380 -0.145 18220
7980 1 16 . 1 1 45 45 GLY N N 36 108.551 108.551 107.221 1.330 18220
7981 1 16 . 1 1 45 45 GLY C C 36 173.749 173.749 176.260 -2.511 18220
7982 1 16 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.500 -1.417 18220
7983 1 16 . 1 1 45 45 GLY H H 36 8.178 8.178 8.162 0.016 18220
7984 1 16 . 1 1 46 46 CYS N N 37 121.173 121.173 121.146 0.027 18220
7985 1 16 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.157 0.023 18220
7986 1 16 . 1 1 46 46 CYS C C 37 173.710 173.710 176.865 -3.155 18220
7987 1 16 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.001 -1.001 18220
7988 1 16 . 1 1 46 46 CYS CB C 37 60.283 60.283 26.603 33.680 18220
7989 1 16 . 1 1 46 46 CYS H H 37 8.253 8.253 8.406 -0.153 18220
7990 1 16 . 1 1 47 47 LEU N N 38 120.283 120.283 120.584 -0.301 18220
7991 1 16 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.780 0.280 18220
7992 1 16 . 1 1 47 47 LEU C C 38 176.679 176.679 178.450 -1.771 18220
7993 1 16 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.131 -2.104 18220
7994 1 16 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.888 -0.424 18220
7995 1 16 . 1 1 47 47 LEU H H 38 7.965 7.965 8.054 -0.089 18220
7996 1 16 . 1 1 48 48 ALA N N 39 122.249 122.249 120.461 1.788 18220
7997 1 16 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.027 0.115 18220
7998 1 16 . 1 1 48 48 ALA C C 39 177.915 177.915 179.814 -1.899 18220
7999 1 16 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.225 -1.508 18220
8000 1 16 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.229 -0.244 18220
8001 1 16 . 1 1 48 48 ALA H H 39 8.066 8.066 8.178 -0.112 18220
8002 1 16 . 1 1 49 49 GLY N N 40 107.377 107.377 107.106 0.271 18220
8003 1 16 . 1 1 49 49 GLY C C 40 172.527 172.527 176.141 -3.614 18220
8004 1 16 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.080 -1.630 18220
8005 1 16 . 1 1 49 49 GLY H H 40 8.172 8.172 8.242 -0.070 18220
8006 1 16 . 1 1 50 50 TYR N N 41 122.409 122.409 122.537 -0.128 18220
8007 1 16 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.006 -0.207 18220
8008 1 16 . 1 1 50 50 TYR C C 41 174.208 174.208 178.540 -4.332 18220
8009 1 16 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.532 -2.287 18220
8010 1 16 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.068 -0.132 18220
8011 1 16 . 1 1 50 50 TYR H H 41 7.800 7.800 8.512 -0.712 18220
8012 1 16 . 1 1 51 51 GLY N N 42 106.935 106.935 105.890 1.045 18220
8013 1 16 . 1 1 51 51 GLY C C 42 172.642 172.642 175.681 -3.039 18220
8014 1 16 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.959 -0.694 18220
8015 1 16 . 1 1 51 51 GLY H H 42 8.199 8.199 8.150 0.049 18220
8016 1 16 . 1 1 52 52 ALA N N 43 123.018 123.018 125.400 -2.382 18220
8017 1 16 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.118 0.032 18220
8018 1 16 . 1 1 52 52 ALA C C 43 176.398 176.398 179.410 -3.012 18220
8019 1 16 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.344 -1.461 18220
8020 1 16 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.517 -0.276 18220
8021 1 16 . 1 1 52 52 ALA H H 43 7.758 7.758 8.078 -0.320 18220
8022 1 16 . 1 1 53 53 TYR N N 44 119.664 119.664 118.785 0.879 18220
8023 1 16 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.298 0.020 18220
8024 1 16 . 1 1 53 53 TYR C C 44 174.180 174.180 177.795 -3.615 18220
8025 1 16 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.395 -1.802 18220
8026 1 16 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.722 -0.530 18220
8027 1 16 . 1 1 53 53 TYR H H 44 7.920 7.920 8.017 -0.097 18220
8028 1 16 . 1 1 54 54 ARG N N 45 119.516 119.516 117.908 1.608 18220
8029 1 16 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.140 -0.210 18220
8030 1 16 . 1 1 54 54 ARG C C 45 174.423 174.423 176.377 -1.954 18220
8031 1 16 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.883 -1.856 18220
8032 1 16 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.026 -0.853 18220
8033 1 16 . 1 1 54 54 ARG H H 45 7.956 7.956 7.981 -0.025 18220
8034 1 16 . 1 1 55 55 VAL N N 46 116.437 116.437 118.012 -1.575 18220
8035 1 16 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.931 0.129 18220
8036 1 16 . 1 1 55 55 VAL C C 46 173.806 173.806 175.584 -1.778 18220
8037 1 16 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.844 -1.544 18220
8038 1 16 . 1 1 55 55 VAL CB C 46 31.521 31.521 29.602 1.919 18220
8039 1 16 . 1 1 55 55 VAL H H 46 7.489 7.489 7.877 -0.388 18220
8040 1 16 . 1 1 56 56 SER N N 47 117.185 117.185 119.648 -2.463 18220
8041 1 16 . 1 1 56 56 SER HA H 47 4.401 4.401 4.330 0.071 18220
8042 1 16 . 1 1 56 56 SER C C 47 172.074 172.074 175.342 -3.268 18220
8043 1 16 . 1 1 56 56 SER CA C 47 58.133 58.133 59.019 -0.886 18220
8044 1 16 . 1 1 56 56 SER CB C 47 63.468 63.468 63.996 -0.528 18220
8045 1 16 . 1 1 56 56 SER H H 47 7.728 7.728 8.459 -0.731 18220
8046 1 16 . 1 1 57 57 ASN N N 48 121.049 121.049 119.756 1.293 18220
8047 1 16 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.713 -0.123 18220
8048 1 16 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.144 -0.544 18220
8049 1 16 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.959 -0.318 18220
8050 1 16 . 1 1 57 57 ASN H H 48 8.228 8.228 8.448 -0.220 18220
8051 1 16 . 1 1 58 58 ASP N N 49 120.276 120.276 118.874 1.402 18220
8052 1 16 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.714 -0.184 18220
8053 1 16 . 1 1 58 58 ASP CA C 49 54.202 54.202 53.668 0.534 18220
8054 1 16 . 1 1 58 58 ASP CB C 49 40.374 40.374 42.824 -2.450 18220
8055 1 16 . 1 1 58 58 ASP H H 49 8.192 8.192 7.987 0.205 18220
8056 1 16 . 1 1 59 59 LYS N N 50 120.660 120.660 121.053 -0.393 18220
8057 1 16 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.526 -0.326 18220
8058 1 16 . 1 1 59 59 LYS C C 50 173.474 173.474 175.077 -1.603 18220
8059 1 16 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.471 -0.171 18220
8060 1 16 . 1 1 59 59 LYS CB C 50 32.034 32.034 32.869 -0.835 18220
8061 1 16 . 1 1 59 59 LYS H H 50 8.003 8.003 8.380 -0.377 18220
8062 1 16 . 1 1 60 60 ARG N N 51 121.278 121.278 121.250 0.028 18220
8063 1 16 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.606 -0.406 18220
8064 1 16 . 1 1 60 60 ARG C C 51 173.303 173.303 174.765 -1.462 18220
8065 1 16 . 1 1 60 60 ARG CA C 51 56.283 56.283 55.458 0.825 18220
8066 1 16 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.689 -1.451 18220
8067 1 16 . 1 1 60 60 ARG H H 51 8.091 8.091 8.018 0.073 18220
8068 1 16 . 1 1 61 61 ASP N N 52 121.185 121.185 122.925 -1.740 18220
8069 1 16 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.530 0.085 18220
8070 1 16 . 1 1 61 61 ASP C C 52 173.777 173.777 176.987 -3.210 18220
8071 1 16 . 1 1 61 61 ASP CA C 52 53.979 53.979 56.129 -2.150 18220
8072 1 16 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.400 -1.155 18220
8073 1 16 . 1 1 61 61 ASP H H 52 8.261 8.261 8.328 -0.067 18220
8074 1 16 . 1 1 62 62 VAL N N 53 121.902 121.902 117.183 4.719 18220
8075 1 16 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.573 0.377 18220
8076 1 16 . 1 1 62 62 VAL C C 53 173.279 173.279 177.693 -4.414 18220
8077 1 16 . 1 1 62 62 VAL CA C 53 63.176 63.176 66.620 -3.444 18220
8078 1 16 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.161 0.938 18220
8079 1 16 . 1 1 62 62 VAL H H 53 7.997 7.997 8.493 -0.496 18220
8080 1 16 . 1 1 63 63 LYS N N 54 123.522 123.522 120.250 3.272 18220
8081 1 16 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.073 0.187 18220
8082 1 16 . 1 1 63 63 LYS C C 54 174.481 174.481 178.777 -4.296 18220
8083 1 16 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.143 -2.796 18220
8084 1 16 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.359 -0.260 18220
8085 1 16 . 1 1 63 63 LYS H H 54 8.054 8.054 7.959 0.095 18220
8086 1 16 . 1 1 64 64 VAL N N 55 120.647 120.647 115.563 5.084 18220
8087 1 16 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.600 0.347 18220
8088 1 16 . 1 1 64 64 VAL C C 55 174.955 174.955 177.888 -2.933 18220
8089 1 16 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.524 -1.924 18220
8090 1 16 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.779 1.098 18220
8091 1 16 . 1 1 64 64 VAL H H 55 8.225 8.225 7.814 0.411 18220
8092 1 16 . 1 1 65 65 SER N N 56 117.785 117.785 115.417 2.368 18220
8093 1 16 . 1 1 65 65 SER HA H 56 4.390 4.390 4.206 0.184 18220
8094 1 16 . 1 1 65 65 SER C C 56 172.300 172.300 177.024 -4.724 18220
8095 1 16 . 1 1 65 65 SER CA C 56 60.000 60.000 61.786 -1.786 18220
8096 1 16 . 1 1 65 65 SER CB C 56 62.879 62.879 62.895 -0.016 18220
8097 1 16 . 1 1 65 65 SER H H 56 8.260 8.260 7.989 0.271 18220
8098 1 16 . 1 1 66 66 LEU N N 57 123.318 123.318 122.286 1.032 18220
8099 1 16 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.130 -0.040 18220
8100 1 16 . 1 1 66 66 LEU C C 57 175.932 175.932 179.248 -3.316 18220
8101 1 16 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.072 -0.570 18220
8102 1 16 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.280 0.441 18220
8103 1 16 . 1 1 66 66 LEU H H 57 8.091 8.091 7.639 0.452 18220
8104 1 16 . 1 1 67 67 PHE N N 58 118.020 118.020 118.159 -0.139 18220
8105 1 16 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.356 -0.026 18220
8106 1 16 . 1 1 67 67 PHE C C 58 174.912 174.912 178.080 -3.168 18220
8107 1 16 . 1 1 67 67 PHE CA C 58 60.600 60.600 62.499 -1.899 18220
8108 1 16 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.816 -0.264 18220
8109 1 16 . 1 1 67 67 PHE H H 58 8.066 8.066 8.731 -0.665 18220
8110 1 16 . 1 1 68 68 THR N N 59 115.324 115.324 117.623 -2.299 18220
8111 1 16 . 1 1 68 68 THR HA H 59 4.310 4.310 4.197 0.113 18220
8112 1 16 . 1 1 68 68 THR C C 59 173.380 173.380 176.327 -2.947 18220
8113 1 16 . 1 1 68 68 THR CA C 59 66.313 66.313 67.120 -0.806 18220
8114 1 16 . 1 1 68 68 THR CB C 59 67.700 67.700 68.434 -0.734 18220
8115 1 16 . 1 1 68 68 THR H H 59 8.287 8.287 8.373 -0.086 18220
8116 1 16 . 1 1 69 69 ALA N N 60 123.621 123.621 124.342 -0.721 18220
8117 1 16 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.313 -0.033 18220
8118 1 16 . 1 1 69 69 ALA C C 60 176.978 176.978 179.649 -2.671 18220
8119 1 16 . 1 1 69 69 ALA CA C 60 55.100 55.100 54.988 0.112 18220
8120 1 16 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.250 -0.522 18220
8121 1 16 . 1 1 69 69 ALA H H 60 7.983 7.983 8.566 -0.583 18220
8122 1 16 . 1 1 70 70 PHE N N 61 118.520 118.520 120.071 -1.551 18220
8123 1 16 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.080 0.180 18220
8124 1 16 . 1 1 70 70 PHE C C 61 175.369 175.369 177.482 -2.113 18220
8125 1 16 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.564 -2.385 18220
8126 1 16 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.242 -0.536 18220
8127 1 16 . 1 1 70 70 PHE H H 61 8.007 8.007 8.408 -0.401 18220
8128 1 16 . 1 1 71 71 PHE N N 62 122.314 122.314 118.735 3.579 18220
8129 1 16 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.225 -0.225 18220
8130 1 16 . 1 1 71 71 PHE C C 62 174.697 174.697 177.817 -3.120 18220
8131 1 16 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.760 -2.243 18220
8132 1 16 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.951 -0.181 18220
8133 1 16 . 1 1 71 71 PHE H H 62 8.546 8.546 8.495 0.051 18220
8134 1 16 . 1 1 72 72 LEU N N 63 119.399 119.399 120.190 -0.791 18220
8135 1 16 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.870 -0.000 18220
8136 1 16 . 1 1 72 72 LEU C C 63 175.774 175.774 179.053 -3.279 18220
8137 1 16 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.195 -1.270 18220
8138 1 16 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.027 0.180 18220
8139 1 16 . 1 1 72 72 LEU H H 63 8.396 8.396 8.382 0.014 18220
8140 1 16 . 1 1 73 73 ALA N N 64 120.221 120.221 119.829 0.392 18220
8141 1 16 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.751 0.209 18220
8142 1 16 . 1 1 73 73 ALA C C 64 177.267 177.267 179.441 -2.174 18220
8143 1 16 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.232 -0.632 18220
8144 1 16 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.633 0.151 18220
8145 1 16 . 1 1 73 73 ALA H H 64 8.025 8.025 8.120 -0.095 18220
8146 1 16 . 1 1 74 74 THR N N 65 113.648 113.648 112.994 0.654 18220
8147 1 16 . 1 1 74 74 THR HA H 65 3.980 3.980 3.991 -0.011 18220
8148 1 16 . 1 1 74 74 THR CA C 65 66.291 66.291 66.142 0.149 18220
8149 1 16 . 1 1 74 74 THR CB C 65 67.914 67.914 68.619 -0.705 18220
8150 1 16 . 1 1 74 74 THR H H 65 7.717 7.717 7.740 -0.023 18220
8151 1 16 . 1 1 75 75 ILE N N 66 120.291 120.291 118.514 1.777 18220
8152 1 16 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.864 -0.124 18220
8153 1 16 . 1 1 75 75 ILE C C 66 174.951 174.951 177.162 -2.211 18220
8154 1 16 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.126 1.754 18220
8155 1 16 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.028 -0.862 18220
8156 1 16 . 1 1 75 75 ILE H H 66 7.738 7.738 7.769 -0.031 18220
8157 1 16 . 1 1 76 76 MET N N 67 117.618 117.618 117.723 -0.105 18220
8158 1 16 . 1 1 76 76 MET HA H 67 4.220 4.220 4.390 -0.170 18220
8159 1 16 . 1 1 76 76 MET C C 67 175.142 175.142 177.139 -1.997 18220
8160 1 16 . 1 1 76 76 MET CA C 67 56.723 56.723 57.599 -0.876 18220
8161 1 16 . 1 1 76 76 MET CB C 67 31.951 31.951 33.908 -1.957 18220
8162 1 16 . 1 1 76 76 MET H H 67 7.823 7.823 7.967 -0.144 18220
8163 1 16 . 1 1 77 77 GLY N N 68 107.110 107.110 104.423 2.687 18220
8164 1 16 . 1 1 77 77 GLY C C 68 172.260 172.260 172.651 -0.391 18220
8165 1 16 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.334 0.466 18220
8166 1 16 . 1 1 77 77 GLY H H 68 7.937 7.937 8.095 -0.158 18220
8167 1 16 . 1 1 78 78 VAL N N 69 120.431 120.431 114.438 5.993 18220
8168 1 16 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.198 0.022 18220
8169 1 16 . 1 1 78 78 VAL CA C 69 63.900 63.900 62.620 1.280 18220
8170 1 16 . 1 1 78 78 VAL CB C 69 31.506 31.506 33.084 -1.579 18220
8171 1 16 . 1 1 78 78 VAL H H 69 7.697 7.697 7.827 -0.130 18220
8172 1 16 . 1 1 79 79 ARG N N 70 121.420 121.420 120.903 0.517 18220
8173 1 16 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.571 -0.761 18220
8174 1 16 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.192 1.208 18220
8175 1 16 . 1 1 79 79 ARG CB C 70 30.097 30.097 29.700 0.397 18220
8176 1 16 . 1 1 79 79 ARG H H 70 7.889 7.889 7.979 -0.090 18220
8177 1 16 . 1 1 80 80 PHE N N 71 119.949 119.949 116.157 3.792 18220
8178 1 16 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.116 0.394 18220
8179 1 16 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.620 -0.020 18220
8180 1 16 . 1 1 80 80 PHE CB C 71 39.145 39.145 36.347 2.798 18220
8181 1 16 . 1 1 80 80 PHE H H 71 8.101 8.101 7.747 0.354 18220
8182 1 16 . 1 1 81 81 LYS N N 72 122.193 122.193 115.001 7.192 18220
8183 1 16 . 1 1 81 81 LYS CA C 72 56.800 56.800 57.358 -0.557 18220
8184 1 16 . 1 1 81 81 LYS CB C 72 32.322 32.322 32.830 -0.508 18220
8185 1 16 . 1 1 81 81 LYS H H 72 8.090 8.090 7.991 0.099 18220
8186 1 16 . 1 1 82 82 ARG N N 73 119.650 119.650 119.592 0.058 18220
8187 1 16 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.746 -0.657 18220
8188 1 16 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.754 -1.583 18220
8189 1 16 . 1 1 82 82 ARG H H 73 8.052 8.052 8.614 -0.562 18220
8190 1 16 . 1 1 83 83 SER N N 74 115.734 115.734 117.506 -1.772 18220
8191 1 16 . 1 1 83 83 SER CA C 74 58.355 58.355 57.497 0.858 18220
8192 1 16 . 1 1 83 83 SER CB C 74 63.404 63.404 64.349 -0.945 18220
8193 1 16 . 1 1 83 83 SER H H 74 7.912 7.912 8.320 -0.408 18220
8194 1 16 . 1 1 84 84 LYS N N 75 122.370 122.370 121.653 0.717 18220
8195 1 16 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.576 -0.441 18220
8196 1 16 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.718 -0.543 18220
8197 1 16 . 1 1 84 84 LYS H H 75 8.067 8.067 8.331 -0.264 18220
8198 1 16 . 1 1 86 86 ILE N N 77 119.592 119.592 120.328 -0.736 18220
8199 1 16 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.330 -0.520 18220
8200 1 16 . 1 1 86 86 ILE CA C 77 64.900 64.900 60.457 4.443 18220
8201 1 16 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.043 1.102 18220
8202 1 16 . 1 1 86 86 ILE H H 77 7.837 7.837 8.372 -0.535 18220
8203 1 16 . 1 1 87 87 MET N N 78 121.645 121.645 121.632 0.013 18220
8204 1 16 . 1 1 87 87 MET CA C 78 52.982 52.982 61.589 -8.607 18220
8205 1 16 . 1 1 87 87 MET CB C 78 32.173 32.173 30.498 1.675 18220
8206 1 16 . 1 1 87 87 MET H H 78 7.950 7.950 8.558 -0.608 18220
8207 1 16 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.368 -0.228 18220
8208 1 16 . 1 1 88 88 PRO C C 79 173.921 173.921 178.099 -4.178 18220
8209 1 16 . 1 1 88 88 PRO CA C 79 62.800 62.800 65.457 -2.657 18220
8210 1 16 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.046 0.090 18220
8211 1 16 . 1 1 89 89 ALA N N 80 124.431 124.431 119.520 4.911 18220
8212 1 16 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.119 0.281 18220
8213 1 16 . 1 1 89 89 ALA C C 80 176.234 176.234 179.610 -3.376 18220
8214 1 16 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.374 -1.074 18220
8215 1 16 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.399 0.099 18220
8216 1 16 . 1 1 89 89 ALA H H 80 8.320 8.320 8.467 -0.147 18220
8217 1 16 . 1 1 90 90 GLY N N 81 106.834 106.834 107.937 -1.103 18220
8218 1 16 . 1 1 90 90 GLY C C 81 172.398 172.398 175.849 -3.451 18220
8219 1 16 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.494 -1.894 18220
8220 1 16 . 1 1 90 90 GLY H H 81 8.458 8.458 8.027 0.431 18220
8221 1 16 . 1 1 91 91 LEU N N 82 121.043 121.043 121.479 -0.436 18220
8222 1 16 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.072 0.128 18220
8223 1 16 . 1 1 91 91 LEU C C 82 174.783 174.783 178.503 -3.720 18220
8224 1 16 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.544 -1.244 18220
8225 1 16 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.426 0.680 18220
8226 1 16 . 1 1 91 91 LEU H H 82 7.687 7.687 7.476 0.211 18220
8227 1 16 . 1 1 92 92 VAL N N 83 114.737 114.737 119.945 -5.208 18220
8228 1 16 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.577 0.403 18220
8229 1 16 . 1 1 92 92 VAL C C 83 173.634 173.634 177.888 -4.254 18220
8230 1 16 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.601 -4.201 18220
8231 1 16 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.637 0.948 18220
8232 1 16 . 1 1 92 92 VAL H H 83 7.602 7.602 7.793 -0.191 18220
8233 1 16 . 1 1 93 93 ALA N N 84 124.320 124.320 121.561 2.759 18220
8234 1 16 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.112 0.038 18220
8235 1 16 . 1 1 93 93 ALA C C 84 175.746 175.746 179.859 -4.113 18220
8236 1 16 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.225 -1.925 18220
8237 1 16 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.900 0.341 18220
8238 1 16 . 1 1 93 93 ALA H H 84 7.891 7.891 8.140 -0.249 18220
8239 1 16 . 1 1 94 94 GLY N N 85 106.807 106.807 108.060 -1.253 18220
8240 1 16 . 1 1 94 94 GLY C C 85 171.752 171.752 176.060 -4.308 18220
8241 1 16 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.836 -1.587 18220
8242 1 16 . 1 1 94 94 GLY H H 85 8.204 8.204 8.071 0.133 18220
8243 1 16 . 1 1 95 95 LEU N N 86 121.266 121.266 122.232 -0.966 18220
8244 1 16 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.881 0.499 18220
8245 1 16 . 1 1 95 95 LEU C C 86 173.702 173.702 179.337 -5.635 18220
8246 1 16 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.989 -2.989 18220
8247 1 16 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.535 0.763 18220
8248 1 16 . 1 1 95 95 LEU H H 86 7.718 7.718 8.385 -0.667 18220
8249 1 16 . 1 1 96 96 SER N N 87 115.658 115.658 114.378 1.280 18220
8250 1 16 . 1 1 96 96 SER HA H 87 4.370 4.370 4.132 0.238 18220
8251 1 16 . 1 1 96 96 SER C C 87 172.479 172.479 176.409 -3.930 18220
8252 1 16 . 1 1 96 96 SER CA C 87 57.200 57.200 61.502 -4.302 18220
8253 1 16 . 1 1 96 96 SER CB C 87 64.174 64.174 63.022 1.152 18220
8254 1 16 . 1 1 96 96 SER H H 87 7.659 7.659 8.102 -0.443 18220
8255 1 16 . 1 1 97 97 LEU N N 88 123.720 123.720 122.380 1.340 18220
8256 1 16 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.977 0.623 18220
8257 1 16 . 1 1 97 97 LEU C C 88 175.932 175.932 179.159 -3.227 18220
8258 1 16 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.129 -0.529 18220
8259 1 16 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.325 0.075 18220
8260 1 16 . 1 1 97 97 LEU H H 88 8.733 8.733 8.146 0.587 18220
8261 1 16 . 1 1 98 98 MET N N 89 116.684 116.684 118.130 -1.446 18220
8262 1 16 . 1 1 98 98 MET HA H 89 4.280 4.280 4.089 0.191 18220
8263 1 16 . 1 1 98 98 MET C C 89 175.789 175.789 178.642 -2.853 18220
8264 1 16 . 1 1 98 98 MET CA C 89 56.915 56.915 58.425 -1.510 18220
8265 1 16 . 1 1 98 98 MET CB C 89 31.007 31.007 32.035 -1.028 18220
8266 1 16 . 1 1 98 98 MET H H 89 8.342 8.342 8.123 0.219 18220
8267 1 16 . 1 1 99 99 MET N N 90 119.182 119.182 119.783 -0.601 18220
8268 1 16 . 1 1 99 99 MET HA H 90 4.110 4.110 4.068 0.042 18220
8269 1 16 . 1 1 99 99 MET C C 90 175.588 175.588 178.270 -2.682 18220
8270 1 16 . 1 1 99 99 MET CA C 90 57.951 57.951 59.918 -1.967 18220
8271 1 16 . 1 1 99 99 MET CB C 90 32.226 32.226 32.665 -0.439 18220
8272 1 16 . 1 1 99 99 MET H H 90 7.720 7.720 8.248 -0.528 18220
8273 1 16 . 1 1 100 100 ILE N N 91 119.077 119.077 117.634 1.443 18220
8274 1 16 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.618 0.492 18220
8275 1 16 . 1 1 100 100 ILE C C 91 174.634 174.634 177.660 -3.026 18220
8276 1 16 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.564 -0.464 18220
8277 1 16 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.059 0.084 18220
8278 1 16 . 1 1 100 100 ILE H H 91 7.662 7.662 8.056 -0.394 18220
8279 1 16 . 1 1 101 101 LEU N N 92 119.646 119.646 120.928 -1.282 18220
8280 1 16 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.928 0.602 18220
8281 1 16 . 1 1 101 101 LEU C C 92 175.430 175.430 178.884 -3.454 18220
8282 1 16 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.346 -0.546 18220
8283 1 16 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.698 -0.940 18220
8284 1 16 . 1 1 101 101 LEU H H 92 8.142 8.142 8.029 0.113 18220
8285 1 16 . 1 1 102 102 ARG N N 93 116.394 116.394 118.265 -1.871 18220
8286 1 16 . 1 1 102 102 ARG HA H 93 4.140 4.140 3.984 0.156 18220
8287 1 16 . 1 1 102 102 ARG C C 93 175.961 175.961 178.606 -2.645 18220
8288 1 16 . 1 1 102 102 ARG CA C 93 59.100 59.100 59.171 -0.071 18220
8289 1 16 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.001 -0.597 18220
8290 1 16 . 1 1 102 102 ARG H H 93 7.893 7.893 8.202 -0.309 18220
8291 1 16 . 1 1 103 103 LEU N N 94 119.114 119.114 121.063 -1.949 18220
8292 1 16 . 1 1 103 103 LEU HA H 94 4.110 4.110 3.995 0.115 18220
8293 1 16 . 1 1 103 103 LEU C C 94 175.889 175.889 178.118 -2.229 18220
8294 1 16 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.269 -0.969 18220
8295 1 16 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.694 -0.398 18220
8296 1 16 . 1 1 103 103 LEU H H 94 7.622 7.622 8.044 -0.422 18220
8297 1 16 . 1 1 104 104 VAL N N 95 117.704 117.704 116.385 1.319 18220
8298 1 16 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.889 -0.359 18220
8299 1 16 . 1 1 104 104 VAL C C 95 175.042 175.042 178.252 -3.210 18220
8300 1 16 . 1 1 104 104 VAL CA C 95 66.419 66.419 64.731 1.688 18220
8301 1 16 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.713 -0.356 18220
8302 1 16 . 1 1 104 104 VAL H H 95 8.026 8.026 7.423 0.603 18220
8303 1 16 . 1 1 105 105 LEU N N 96 117.185 117.185 122.306 -5.121 18220
8304 1 16 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.957 0.023 18220
8305 1 16 . 1 1 105 105 LEU C C 96 176.579 176.579 179.390 -2.811 18220
8306 1 16 . 1 1 105 105 LEU CA C 96 56.800 56.800 58.088 -1.288 18220
8307 1 16 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.774 -0.823 18220
8308 1 16 . 1 1 105 105 LEU H H 96 7.893 7.893 7.638 0.255 18220
8309 1 16 . 1 1 106 106 LEU N N 97 118.471 118.471 119.894 -1.423 18220
8310 1 16 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.945 0.235 18220
8311 1 16 . 1 1 106 106 LEU C C 97 175.802 175.802 178.182 -2.380 18220
8312 1 16 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.933 -1.633 18220
8313 1 16 . 1 1 106 106 LEU CB C 97 41.592 41.592 42.031 -0.439 18220
8314 1 16 . 1 1 106 106 LEU H H 97 7.545 7.545 8.264 -0.719 18220
8315 1 16 . 1 1 107 107 LEU N N 98 118.162 118.162 118.298 -0.136 18220
8316 1 16 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.159 0.071 18220
8317 1 16 . 1 1 107 107 LEU C C 98 174.174 174.174 177.617 -3.443 18220
8318 1 16 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.939 -0.656 18220
8319 1 16 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.439 -0.077 18220
8320 1 16 . 1 1 107 107 LEU H H 98 7.688 7.688 8.334 -0.646 18220
8321 1 17 . 1 1 11 11 ASP N N 2 120.536 120.536 120.445 0.091 18220
8322 1 17 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.608 1.310 18220
8323 1 17 . 1 1 11 11 ASP CB C 2 37.959 37.959 40.837 -2.878 18220
8324 1 17 . 1 1 11 11 ASP H H 2 7.863 7.863 8.389 -0.526 18220
8325 1 17 . 1 1 12 12 LEU N N 3 121.414 121.414 123.538 -2.124 18220
8326 1 17 . 1 1 12 12 LEU C C 3 176.162 176.162 175.893 0.269 18220
8327 1 17 . 1 1 12 12 LEU CA C 3 57.600 57.600 54.759 2.841 18220
8328 1 17 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.719 -1.062 18220
8329 1 17 . 1 1 12 12 LEU H H 3 8.285 8.285 8.279 0.006 18220
8330 1 17 . 1 1 13 13 ILE N N 4 118.854 118.854 125.230 -6.376 18220
8331 1 17 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.273 -0.533 18220
8332 1 17 . 1 1 13 13 ILE C C 4 175.228 175.228 175.674 -0.446 18220
8333 1 17 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.490 3.010 18220
8334 1 17 . 1 1 13 13 ILE CB C 4 37.102 37.102 39.287 -2.185 18220
8335 1 17 . 1 1 13 13 ILE H H 4 8.031 8.031 8.428 -0.397 18220
8336 1 17 . 1 1 14 14 GLY N N 5 107.478 107.478 115.512 -8.034 18220
8337 1 17 . 1 1 14 14 GLY C C 5 174.424 174.424 174.445 -0.021 18220
8338 1 17 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.371 1.688 18220
8339 1 17 . 1 1 14 14 GLY H H 5 8.148 8.148 8.630 -0.482 18220
8340 1 17 . 1 1 15 15 PHE N N 6 122.774 122.774 123.014 -0.240 18220
8341 1 17 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.251 0.229 18220
8342 1 17 . 1 1 15 15 PHE C C 6 175.113 175.113 177.026 -1.913 18220
8343 1 17 . 1 1 15 15 PHE CA C 6 60.017 60.017 60.031 -0.014 18220
8344 1 17 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.267 -0.493 18220
8345 1 17 . 1 1 15 15 PHE H H 6 8.194 8.194 8.563 -0.369 18220
8346 1 17 . 1 1 16 16 GLY N N 7 107.938 107.938 107.091 0.847 18220
8347 1 17 . 1 1 16 16 GLY C C 7 171.838 171.838 175.905 -4.067 18220
8348 1 17 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.479 -0.379 18220
8349 1 17 . 1 1 16 16 GLY H H 7 8.697 8.697 8.591 0.106 18220
8350 1 17 . 1 1 17 17 TYR N N 8 121.785 121.785 123.219 -1.434 18220
8351 1 17 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.101 0.049 18220
8352 1 17 . 1 1 17 17 TYR C C 8 174.180 174.180 177.592 -3.412 18220
8353 1 17 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.932 0.368 18220
8354 1 17 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.259 -0.300 18220
8355 1 17 . 1 1 17 17 TYR H H 8 8.710 8.710 8.335 0.375 18220
8356 1 17 . 1 1 18 18 ALA N N 9 120.233 120.233 120.335 -0.102 18220
8357 1 17 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.955 -0.005 18220
8358 1 17 . 1 1 18 18 ALA C C 9 178.059 178.059 179.104 -1.045 18220
8359 1 17 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.147 -0.275 18220
8360 1 17 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.452 0.110 18220
8361 1 17 . 1 1 18 18 ALA H H 9 7.843 7.843 8.210 -0.367 18220
8362 1 17 . 1 1 19 19 ALA N N 10 121.797 121.797 121.148 0.649 18220
8363 1 17 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.081 -0.131 18220
8364 1 17 . 1 1 19 19 ALA C C 10 176.191 176.191 179.388 -3.197 18220
8365 1 17 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.459 0.141 18220
8366 1 17 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.112 -0.550 18220
8367 1 17 . 1 1 19 19 ALA H H 10 8.212 8.212 7.684 0.528 18220
8368 1 17 . 1 1 20 20 LEU N N 11 119.442 119.442 120.595 -1.153 18220
8369 1 17 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.068 -0.131 18220
8370 1 17 . 1 1 20 20 LEU C C 11 176.694 176.694 178.487 -1.793 18220
8371 1 17 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.124 -0.324 18220
8372 1 17 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.051 -0.829 18220
8373 1 17 . 1 1 20 20 LEU H H 11 8.065 8.065 7.865 0.200 18220
8374 1 17 . 1 1 21 21 VAL N N 12 118.323 118.323 119.078 -0.755 18220
8375 1 17 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.617 0.023 18220
8376 1 17 . 1 1 21 21 VAL C C 12 176.536 176.536 178.305 -1.769 18220
8377 1 17 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.381 -0.981 18220
8378 1 17 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.329 0.806 18220
8379 1 17 . 1 1 21 21 VAL H H 12 8.051 8.051 8.506 -0.455 18220
8380 1 17 . 1 1 22 22 THR N N 13 118.298 118.298 116.996 1.302 18220
8381 1 17 . 1 1 22 22 THR HA H 13 4.660 4.660 3.996 0.664 18220
8382 1 17 . 1 1 22 22 THR C C 13 173.734 173.734 176.650 -2.916 18220
8383 1 17 . 1 1 22 22 THR CA C 13 66.300 66.300 66.756 -0.456 18220
8384 1 17 . 1 1 22 22 THR CB C 13 67.775 67.775 68.502 -0.727 18220
8385 1 17 . 1 1 22 22 THR H H 13 7.944 7.944 8.150 -0.206 18220
8386 1 17 . 1 1 23 23 PHE N N 14 121.328 121.328 121.430 -0.102 18220
8387 1 17 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.103 0.237 18220
8388 1 17 . 1 1 23 23 PHE C C 14 174.783 174.783 177.632 -2.849 18220
8389 1 17 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.741 -1.241 18220
8390 1 17 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.660 -0.034 18220
8391 1 17 . 1 1 23 23 PHE H H 14 8.567 8.567 8.445 0.122 18220
8392 1 17 . 1 1 24 24 GLY N N 15 106.871 106.871 106.443 0.428 18220
8393 1 17 . 1 1 24 24 GLY C C 15 172.858 172.858 176.320 -3.462 18220
8394 1 17 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.338 -0.438 18220
8395 1 17 . 1 1 24 24 GLY H H 15 8.475 8.475 8.611 -0.136 18220
8396 1 17 . 1 1 25 25 SER N N 16 116.214 116.214 118.674 -2.460 18220
8397 1 17 . 1 1 25 25 SER HA H 16 4.280 4.280 4.021 0.259 18220
8398 1 17 . 1 1 25 25 SER CA C 16 60.300 60.300 61.598 -1.298 18220
8399 1 17 . 1 1 25 25 SER CB C 16 62.879 62.879 63.217 -0.337 18220
8400 1 17 . 1 1 25 25 SER H H 16 7.963 7.963 8.253 -0.290 18220
8401 1 17 . 1 1 26 26 ILE N N 17 121.024 121.024 121.397 -0.373 18220
8402 1 17 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.746 0.200 18220
8403 1 17 . 1 1 26 26 ILE C C 17 173.935 173.935 178.438 -4.503 18220
8404 1 17 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.550 -1.450 18220
8405 1 17 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.836 0.272 18220
8406 1 17 . 1 1 26 26 ILE H H 17 7.676 7.676 8.333 -0.657 18220
8407 1 17 . 1 1 27 27 PHE N N 18 117.142 117.142 120.556 -3.414 18220
8408 1 17 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.159 0.271 18220
8409 1 17 . 1 1 27 27 PHE C C 18 173.504 173.504 177.191 -3.687 18220
8410 1 17 . 1 1 27 27 PHE CA C 18 58.500 58.500 61.041 -2.541 18220
8411 1 17 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.806 -0.032 18220
8412 1 17 . 1 1 27 27 PHE H H 18 7.703 7.703 8.609 -0.906 18220
8413 1 17 . 1 1 28 28 GLY N N 19 107.303 107.303 104.253 3.050 18220
8414 1 17 . 1 1 28 28 GLY C C 19 171.593 171.593 173.809 -2.216 18220
8415 1 17 . 1 1 28 28 GLY CA C 19 45.600 45.600 44.873 0.727 18220
8416 1 17 . 1 1 28 28 GLY H H 19 7.722 7.722 7.643 0.079 18220
8417 1 17 . 1 1 29 29 TYR N N 20 119.862 119.862 120.697 -0.835 18220
8418 1 17 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.086 0.306 18220
8419 1 17 . 1 1 29 29 TYR C C 20 173.174 173.174 173.911 -0.737 18220
8420 1 17 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.855 -0.355 18220
8421 1 17 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.633 0.771 18220
8422 1 17 . 1 1 29 29 TYR H H 20 7.880 7.880 7.887 -0.007 18220
8423 1 17 . 1 1 30 30 LYS N N 21 122.335 122.335 126.701 -4.366 18220
8424 1 17 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.482 -0.092 18220
8425 1 17 . 1 1 30 30 LYS C C 21 173.547 173.547 175.789 -2.242 18220
8426 1 17 . 1 1 30 30 LYS CA C 21 55.800 55.800 55.229 0.571 18220
8427 1 17 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.590 -0.194 18220
8428 1 17 . 1 1 30 30 LYS H H 21 7.934 7.934 7.980 -0.046 18220
8429 1 17 . 1 1 31 31 ARG N N 22 120.612 120.612 123.387 -2.775 18220
8430 1 17 . 1 1 31 31 ARG C C 22 173.547 173.547 174.755 -1.208 18220
8431 1 17 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.694 -0.860 18220
8432 1 17 . 1 1 31 31 ARG CB C 22 30.101 30.101 29.963 0.138 18220
8433 1 17 . 1 1 31 31 ARG H H 22 7.905 7.905 8.567 -0.662 18220
8434 1 17 . 1 1 32 32 ARG N N 23 121.748 121.748 122.058 -0.310 18220
8435 1 17 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.373 -0.063 18220
8436 1 17 . 1 1 32 32 ARG C C 23 173.863 173.863 175.249 -1.386 18220
8437 1 17 . 1 1 32 32 ARG CA C 23 55.800 55.800 55.720 0.080 18220
8438 1 17 . 1 1 32 32 ARG CB C 23 30.245 30.245 32.258 -2.013 18220
8439 1 17 . 1 1 32 32 ARG H H 23 8.175 8.175 8.249 -0.074 18220
8440 1 17 . 1 1 33 33 GLY N N 24 109.528 109.528 108.990 0.538 18220
8441 1 17 . 1 1 33 33 GLY C C 24 171.752 171.752 173.394 -1.642 18220
8442 1 17 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.231 -0.331 18220
8443 1 17 . 1 1 33 33 GLY H H 24 8.264 8.264 8.908 -0.644 18220
8444 1 17 . 1 1 34 34 GLY N N 25 108.563 108.563 107.656 0.907 18220
8445 1 17 . 1 1 34 34 GLY C C 25 171.701 171.701 174.696 -2.995 18220
8446 1 17 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.487 -0.887 18220
8447 1 17 . 1 1 34 34 GLY H H 25 8.208 8.208 9.389 -1.181 18220
8448 1 17 . 1 1 35 35 VAL N N 26 121.164 121.164 122.147 -0.983 18220
8449 1 17 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.112 -0.102 18220
8450 1 17 . 1 1 35 35 VAL C C 26 175.888 175.888 174.306 1.582 18220
8451 1 17 . 1 1 35 35 VAL CA C 26 63.900 63.900 61.882 2.018 18220
8452 1 17 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.663 -0.973 18220
8453 1 17 . 1 1 35 35 VAL H H 26 8.485 8.485 8.204 0.281 18220
8454 1 17 . 1 1 36 36 PRO C C 27 177.660 177.660 175.658 2.002 18220
8455 1 17 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.201 -1.354 18220
8456 1 17 . 1 1 37 37 SER N N 28 116.023 116.023 115.217 0.806 18220
8457 1 17 . 1 1 37 37 SER HA H 28 4.280 4.280 4.377 -0.097 18220
8458 1 17 . 1 1 37 37 SER CA C 28 61.100 61.100 58.979 2.121 18220
8459 1 17 . 1 1 37 37 SER H H 28 7.948 7.948 8.315 -0.367 18220
8460 1 17 . 1 1 38 38 LEU N N 29 124.029 124.029 125.177 -1.148 18220
8461 1 17 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.034 0.136 18220
8462 1 17 . 1 1 38 38 LEU C C 29 176.132 176.132 178.251 -2.119 18220
8463 1 17 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.426 -0.926 18220
8464 1 17 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.938 0.100 18220
8465 1 17 . 1 1 38 38 LEU H H 29 8.201 8.201 8.229 -0.028 18220
8466 1 17 . 1 1 39 39 ILE N N 30 117.098 117.098 118.429 -1.331 18220
8467 1 17 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.681 0.689 18220
8468 1 17 . 1 1 39 39 ILE C C 30 176.478 176.478 177.588 -1.110 18220
8469 1 17 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.472 -1.393 18220
8470 1 17 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.935 0.038 18220
8471 1 17 . 1 1 39 39 ILE H H 30 7.662 7.662 7.549 0.113 18220
8472 1 17 . 1 1 40 40 ALA N N 31 122.447 122.447 120.893 1.554 18220
8473 1 17 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.114 -0.080 18220
8474 1 17 . 1 1 40 40 ALA C C 31 177.067 177.067 179.801 -2.734 18220
8475 1 17 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.428 0.534 18220
8476 1 17 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.890 -0.034 18220
8477 1 17 . 1 1 40 40 ALA H H 31 8.096 8.096 7.923 0.173 18220
8478 1 17 . 1 1 41 41 GLY N N 32 104.056 104.056 106.770 -2.714 18220
8479 1 17 . 1 1 41 41 GLY C C 32 174.251 174.251 176.476 -2.225 18220
8480 1 17 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.892 -0.392 18220
8481 1 17 . 1 1 41 41 GLY H H 32 8.123 8.123 7.926 0.197 18220
8482 1 17 . 1 1 42 42 LEU N N 33 123.250 123.250 123.188 0.062 18220
8483 1 17 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.231 -0.374 18220
8484 1 17 . 1 1 42 42 LEU C C 33 176.033 176.033 178.499 -2.466 18220
8485 1 17 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.732 -1.064 18220
8486 1 17 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.822 -0.101 18220
8487 1 17 . 1 1 42 42 LEU H H 33 7.914 7.914 8.064 -0.150 18220
8488 1 17 . 1 1 43 43 PHE N N 34 119.757 119.757 120.296 -0.539 18220
8489 1 17 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.173 0.027 18220
8490 1 17 . 1 1 43 43 PHE C C 34 174.374 174.374 177.658 -3.284 18220
8491 1 17 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.911 -3.035 18220
8492 1 17 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.453 -0.619 18220
8493 1 17 . 1 1 43 43 PHE H H 34 8.287 8.287 8.728 -0.441 18220
8494 1 17 . 1 1 44 44 VAL N N 35 117.791 117.791 119.231 -1.440 18220
8495 1 17 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.774 -0.164 18220
8496 1 17 . 1 1 44 44 VAL C C 35 176.205 176.205 177.770 -1.565 18220
8497 1 17 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.616 -2.057 18220
8498 1 17 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.865 -0.433 18220
8499 1 17 . 1 1 44 44 VAL H H 35 8.235 8.235 8.570 -0.335 18220
8500 1 17 . 1 1 45 45 GLY N N 36 108.551 108.551 107.477 1.074 18220
8501 1 17 . 1 1 45 45 GLY C C 36 173.749 173.749 175.678 -1.929 18220
8502 1 17 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.606 -1.523 18220
8503 1 17 . 1 1 45 45 GLY H H 36 8.178 8.178 8.249 -0.071 18220
8504 1 17 . 1 1 46 46 CYS N N 37 121.173 121.173 121.513 -0.340 18220
8505 1 17 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.184 -0.004 18220
8506 1 17 . 1 1 46 46 CYS C C 37 173.710 173.710 176.778 -3.068 18220
8507 1 17 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.497 -1.497 18220
8508 1 17 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.805 32.478 18220
8509 1 17 . 1 1 46 46 CYS H H 37 8.253 8.253 7.992 0.261 18220
8510 1 17 . 1 1 47 47 LEU N N 38 120.283 120.283 121.290 -1.007 18220
8511 1 17 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.754 0.306 18220
8512 1 17 . 1 1 47 47 LEU C C 38 176.679 176.679 178.008 -1.329 18220
8513 1 17 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.303 -2.276 18220
8514 1 17 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.996 -0.532 18220
8515 1 17 . 1 1 47 47 LEU H H 38 7.965 7.965 8.147 -0.182 18220
8516 1 17 . 1 1 48 48 ALA N N 39 122.249 122.249 119.611 2.638 18220
8517 1 17 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.000 0.142 18220
8518 1 17 . 1 1 48 48 ALA C C 39 177.915 177.915 179.723 -1.808 18220
8519 1 17 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.368 -1.651 18220
8520 1 17 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.020 -0.035 18220
8521 1 17 . 1 1 48 48 ALA H H 39 8.066 8.066 8.411 -0.345 18220
8522 1 17 . 1 1 49 49 GLY N N 40 107.377 107.377 107.288 0.089 18220
8523 1 17 . 1 1 49 49 GLY C C 40 172.527 172.527 176.123 -3.596 18220
8524 1 17 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.225 -1.775 18220
8525 1 17 . 1 1 49 49 GLY H H 40 8.172 8.172 8.369 -0.197 18220
8526 1 17 . 1 1 50 50 TYR N N 41 122.409 122.409 123.123 -0.714 18220
8527 1 17 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.038 -0.239 18220
8528 1 17 . 1 1 50 50 TYR C C 41 174.208 174.208 178.613 -4.405 18220
8529 1 17 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.743 -2.498 18220
8530 1 17 . 1 1 50 50 TYR CB C 41 37.936 37.936 37.945 -0.009 18220
8531 1 17 . 1 1 50 50 TYR H H 41 7.800 7.800 8.387 -0.587 18220
8532 1 17 . 1 1 51 51 GLY N N 42 106.935 106.935 106.244 0.691 18220
8533 1 17 . 1 1 51 51 GLY C C 42 172.642 172.642 175.742 -3.100 18220
8534 1 17 . 1 1 51 51 GLY CA C 42 46.265 46.265 47.055 -0.790 18220
8535 1 17 . 1 1 51 51 GLY H H 42 8.199 8.199 8.272 -0.073 18220
8536 1 17 . 1 1 52 52 ALA N N 43 123.018 123.018 124.876 -1.858 18220
8537 1 17 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.111 0.039 18220
8538 1 17 . 1 1 52 52 ALA C C 43 176.398 176.398 178.919 -2.521 18220
8539 1 17 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.551 -1.668 18220
8540 1 17 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.259 -0.017 18220
8541 1 17 . 1 1 52 52 ALA H H 43 7.758 7.758 8.302 -0.544 18220
8542 1 17 . 1 1 53 53 TYR N N 44 119.664 119.664 118.658 1.006 18220
8543 1 17 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.278 0.040 18220
8544 1 17 . 1 1 53 53 TYR C C 44 174.180 174.180 177.653 -3.473 18220
8545 1 17 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.347 -2.754 18220
8546 1 17 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.897 -0.705 18220
8547 1 17 . 1 1 53 53 TYR H H 44 7.920 7.920 7.945 -0.025 18220
8548 1 17 . 1 1 54 54 ARG N N 45 119.516 119.516 117.543 1.973 18220
8549 1 17 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.376 -0.446 18220
8550 1 17 . 1 1 54 54 ARG C C 45 174.423 174.423 176.679 -2.256 18220
8551 1 17 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.394 -1.367 18220
8552 1 17 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.271 -1.099 18220
8553 1 17 . 1 1 54 54 ARG H H 45 7.956 7.956 8.200 -0.244 18220
8554 1 17 . 1 1 55 55 VAL N N 46 116.437 116.437 115.896 0.541 18220
8555 1 17 . 1 1 55 55 VAL HA H 46 4.060 4.060 4.503 -0.443 18220
8556 1 17 . 1 1 55 55 VAL C C 46 173.806 173.806 174.933 -1.127 18220
8557 1 17 . 1 1 55 55 VAL CA C 46 62.300 62.300 59.909 2.391 18220
8558 1 17 . 1 1 55 55 VAL CB C 46 31.521 31.521 33.181 -1.660 18220
8559 1 17 . 1 1 55 55 VAL H H 46 7.489 7.489 8.045 -0.556 18220
8560 1 17 . 1 1 56 56 SER N N 47 117.185 117.185 112.237 4.948 18220
8561 1 17 . 1 1 56 56 SER HA H 47 4.401 4.401 4.459 -0.058 18220
8562 1 17 . 1 1 56 56 SER C C 47 172.074 172.074 174.220 -2.146 18220
8563 1 17 . 1 1 56 56 SER CA C 47 58.133 58.133 59.718 -1.585 18220
8564 1 17 . 1 1 56 56 SER CB C 47 63.468 63.468 63.907 -0.439 18220
8565 1 17 . 1 1 56 56 SER H H 47 7.728 7.728 8.177 -0.449 18220
8566 1 17 . 1 1 57 57 ASN N N 48 121.049 121.049 119.299 1.750 18220
8567 1 17 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.400 0.190 18220
8568 1 17 . 1 1 57 57 ASN CA C 48 53.600 53.600 55.491 -1.891 18220
8569 1 17 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.107 0.534 18220
8570 1 17 . 1 1 57 57 ASN H H 48 8.228 8.228 8.430 -0.202 18220
8571 1 17 . 1 1 58 58 ASP N N 49 120.276 120.276 121.370 -1.094 18220
8572 1 17 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.700 -0.170 18220
8573 1 17 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.582 -0.380 18220
8574 1 17 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.152 -0.778 18220
8575 1 17 . 1 1 58 58 ASP H H 49 8.192 8.192 8.262 -0.070 18220
8576 1 17 . 1 1 59 59 LYS N N 50 120.660 120.660 120.610 0.050 18220
8577 1 17 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.339 -0.139 18220
8578 1 17 . 1 1 59 59 LYS C C 50 173.474 173.474 174.783 -1.309 18220
8579 1 17 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.956 0.344 18220
8580 1 17 . 1 1 59 59 LYS CB C 50 32.034 32.034 34.986 -2.952 18220
8581 1 17 . 1 1 59 59 LYS H H 50 8.003 8.003 7.997 0.006 18220
8582 1 17 . 1 1 60 60 ARG N N 51 121.278 121.278 121.130 0.148 18220
8583 1 17 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.375 -0.175 18220
8584 1 17 . 1 1 60 60 ARG C C 51 173.303 173.303 175.024 -1.721 18220
8585 1 17 . 1 1 60 60 ARG CA C 51 56.283 56.283 55.848 0.435 18220
8586 1 17 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.068 -0.830 18220
8587 1 17 . 1 1 60 60 ARG H H 51 8.091 8.091 8.199 -0.108 18220
8588 1 17 . 1 1 61 61 ASP N N 52 121.185 121.185 119.913 1.272 18220
8589 1 17 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.900 -0.285 18220
8590 1 17 . 1 1 61 61 ASP C C 52 173.777 173.777 175.542 -1.765 18220
8591 1 17 . 1 1 61 61 ASP CA C 52 53.979 53.979 53.804 0.175 18220
8592 1 17 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.026 -0.781 18220
8593 1 17 . 1 1 61 61 ASP H H 52 8.261 8.261 8.380 -0.119 18220
8594 1 17 . 1 1 62 62 VAL N N 53 121.902 121.902 119.328 2.574 18220
8595 1 17 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.176 -0.226 18220
8596 1 17 . 1 1 62 62 VAL C C 53 173.279 173.279 177.132 -3.853 18220
8597 1 17 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.063 0.113 18220
8598 1 17 . 1 1 62 62 VAL CB C 53 32.099 32.099 33.236 -1.137 18220
8599 1 17 . 1 1 62 62 VAL H H 53 7.997 7.997 7.639 0.358 18220
8600 1 17 . 1 1 63 63 LYS N N 54 123.522 123.522 121.309 2.213 18220
8601 1 17 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.210 0.050 18220
8602 1 17 . 1 1 63 63 LYS C C 54 174.481 174.481 178.364 -3.883 18220
8603 1 17 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.449 -3.102 18220
8604 1 17 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.935 0.164 18220
8605 1 17 . 1 1 63 63 LYS H H 54 8.054 8.054 8.407 -0.353 18220
8606 1 17 . 1 1 64 64 VAL N N 55 120.647 120.647 116.824 3.823 18220
8607 1 17 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.561 0.386 18220
8608 1 17 . 1 1 64 64 VAL C C 55 174.955 174.955 177.831 -2.876 18220
8609 1 17 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.536 -0.936 18220
8610 1 17 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.829 1.048 18220
8611 1 17 . 1 1 64 64 VAL H H 55 8.225 8.225 7.996 0.229 18220
8612 1 17 . 1 1 65 65 SER N N 56 117.785 117.785 115.721 2.064 18220
8613 1 17 . 1 1 65 65 SER HA H 56 4.390 4.390 4.084 0.306 18220
8614 1 17 . 1 1 65 65 SER C C 56 172.300 172.300 176.715 -4.415 18220
8615 1 17 . 1 1 65 65 SER CA C 56 60.000 60.000 62.034 -2.034 18220
8616 1 17 . 1 1 65 65 SER CB C 56 62.879 62.879 63.112 -0.233 18220
8617 1 17 . 1 1 65 65 SER H H 56 8.260 8.260 7.738 0.522 18220
8618 1 17 . 1 1 66 66 LEU N N 57 123.318 123.318 121.421 1.897 18220
8619 1 17 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.114 -0.024 18220
8620 1 17 . 1 1 66 66 LEU C C 57 175.932 175.932 178.660 -2.728 18220
8621 1 17 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.089 -0.587 18220
8622 1 17 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.121 -0.400 18220
8623 1 17 . 1 1 66 66 LEU H H 57 8.091 8.091 7.963 0.128 18220
8624 1 17 . 1 1 67 67 PHE N N 58 118.020 118.020 118.623 -0.603 18220
8625 1 17 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.263 0.067 18220
8626 1 17 . 1 1 67 67 PHE C C 58 174.912 174.912 177.875 -2.963 18220
8627 1 17 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.770 -1.169 18220
8628 1 17 . 1 1 67 67 PHE CB C 58 38.552 38.552 39.055 -0.503 18220
8629 1 17 . 1 1 67 67 PHE H H 58 8.066 8.066 7.743 0.323 18220
8630 1 17 . 1 1 68 68 THR N N 59 115.324 115.324 116.567 -1.243 18220
8631 1 17 . 1 1 68 68 THR HA H 59 4.310 4.310 4.130 0.180 18220
8632 1 17 . 1 1 68 68 THR C C 59 173.380 173.380 176.405 -3.025 18220
8633 1 17 . 1 1 68 68 THR CA C 59 66.313 66.313 67.363 -1.050 18220
8634 1 17 . 1 1 68 68 THR CB C 59 67.700 67.700 68.908 -1.208 18220
8635 1 17 . 1 1 68 68 THR H H 59 8.287 8.287 8.336 -0.049 18220
8636 1 17 . 1 1 69 69 ALA N N 60 123.621 123.621 124.443 -0.822 18220
8637 1 17 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.140 0.140 18220
8638 1 17 . 1 1 69 69 ALA C C 60 176.978 176.978 179.152 -2.174 18220
8639 1 17 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.361 -0.261 18220
8640 1 17 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.088 -0.360 18220
8641 1 17 . 1 1 69 69 ALA H H 60 7.983 7.983 8.299 -0.316 18220
8642 1 17 . 1 1 70 70 PHE N N 61 118.520 118.520 119.811 -1.291 18220
8643 1 17 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.101 0.159 18220
8644 1 17 . 1 1 70 70 PHE C C 61 175.369 175.369 177.312 -1.943 18220
8645 1 17 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.592 -1.413 18220
8646 1 17 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.975 -0.269 18220
8647 1 17 . 1 1 70 70 PHE H H 61 8.007 8.007 8.307 -0.300 18220
8648 1 17 . 1 1 71 71 PHE N N 62 122.314 122.314 119.378 2.936 18220
8649 1 17 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.353 -0.353 18220
8650 1 17 . 1 1 71 71 PHE C C 62 174.697 174.697 177.653 -2.956 18220
8651 1 17 . 1 1 71 71 PHE CA C 62 60.517 60.517 60.738 -0.221 18220
8652 1 17 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.092 -0.322 18220
8653 1 17 . 1 1 71 71 PHE H H 62 8.546 8.546 8.272 0.274 18220
8654 1 17 . 1 1 72 72 LEU N N 63 119.399 119.399 121.473 -2.074 18220
8655 1 17 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.829 0.041 18220
8656 1 17 . 1 1 72 72 LEU C C 63 175.774 175.774 178.521 -2.747 18220
8657 1 17 . 1 1 72 72 LEU CA C 63 56.925 56.925 57.598 -0.673 18220
8658 1 17 . 1 1 72 72 LEU CB C 63 41.207 41.207 40.719 0.488 18220
8659 1 17 . 1 1 72 72 LEU H H 63 8.396 8.396 8.480 -0.084 18220
8660 1 17 . 1 1 73 73 ALA N N 64 120.221 120.221 120.992 -0.771 18220
8661 1 17 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.840 0.120 18220
8662 1 17 . 1 1 73 73 ALA C C 64 177.267 177.267 179.513 -2.246 18220
8663 1 17 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.298 -0.698 18220
8664 1 17 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.008 -0.224 18220
8665 1 17 . 1 1 73 73 ALA H H 64 8.025 8.025 8.397 -0.372 18220
8666 1 17 . 1 1 74 74 THR N N 65 113.648 113.648 114.140 -0.492 18220
8667 1 17 . 1 1 74 74 THR HA H 65 3.980 3.980 3.997 -0.017 18220
8668 1 17 . 1 1 74 74 THR CA C 65 66.291 66.291 66.228 0.063 18220
8669 1 17 . 1 1 74 74 THR CB C 65 67.914 67.914 68.563 -0.649 18220
8670 1 17 . 1 1 74 74 THR H H 65 7.717 7.717 8.018 -0.301 18220
8671 1 17 . 1 1 75 75 ILE N N 66 120.291 120.291 119.494 0.797 18220
8672 1 17 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.701 0.039 18220
8673 1 17 . 1 1 75 75 ILE C C 66 174.951 174.951 176.957 -2.006 18220
8674 1 17 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.610 1.270 18220
8675 1 17 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.855 -0.689 18220
8676 1 17 . 1 1 75 75 ILE H H 66 7.738 7.738 7.730 0.008 18220
8677 1 17 . 1 1 76 76 MET N N 67 117.618 117.618 118.353 -0.735 18220
8678 1 17 . 1 1 76 76 MET HA H 67 4.220 4.220 4.215 0.005 18220
8679 1 17 . 1 1 76 76 MET C C 67 175.142 175.142 177.278 -2.136 18220
8680 1 17 . 1 1 76 76 MET CA C 67 56.723 56.723 58.169 -1.446 18220
8681 1 17 . 1 1 76 76 MET CB C 67 31.951 31.951 33.364 -1.413 18220
8682 1 17 . 1 1 76 76 MET H H 67 7.823 7.823 8.057 -0.234 18220
8683 1 17 . 1 1 77 77 GLY N N 68 107.110 107.110 104.683 2.427 18220
8684 1 17 . 1 1 77 77 GLY C C 68 172.260 172.260 172.910 -0.650 18220
8685 1 17 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.172 0.628 18220
8686 1 17 . 1 1 77 77 GLY H H 68 7.937 7.937 8.384 -0.447 18220
8687 1 17 . 1 1 78 78 VAL N N 69 120.431 120.431 115.282 5.149 18220
8688 1 17 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.505 -0.285 18220
8689 1 17 . 1 1 78 78 VAL CA C 69 63.900 63.900 59.937 3.963 18220
8690 1 17 . 1 1 78 78 VAL CB C 69 31.506 31.506 34.297 -2.791 18220
8691 1 17 . 1 1 78 78 VAL H H 69 7.697 7.697 7.708 -0.011 18220
8692 1 17 . 1 1 79 79 ARG N N 70 121.420 121.420 121.828 -0.408 18220
8693 1 17 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.013 -0.203 18220
8694 1 17 . 1 1 79 79 ARG CA C 70 56.400 56.400 57.808 -1.408 18220
8695 1 17 . 1 1 79 79 ARG CB C 70 30.097 30.097 29.934 0.163 18220
8696 1 17 . 1 1 79 79 ARG H H 70 7.889 7.889 8.221 -0.332 18220
8697 1 17 . 1 1 80 80 PHE N N 71 119.949 119.949 120.321 -0.372 18220
8698 1 17 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.248 0.262 18220
8699 1 17 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.289 -0.689 18220
8700 1 17 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.552 -0.407 18220
8701 1 17 . 1 1 80 80 PHE H H 71 8.101 8.101 8.069 0.032 18220
8702 1 17 . 1 1 81 81 LYS N N 72 122.193 122.193 122.007 0.186 18220
8703 1 17 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.433 1.367 18220
8704 1 17 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.274 -1.952 18220
8705 1 17 . 1 1 81 81 LYS H H 72 8.090 8.090 7.995 0.095 18220
8706 1 17 . 1 1 82 82 ARG N N 73 119.650 119.650 123.006 -3.356 18220
8707 1 17 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.662 -0.573 18220
8708 1 17 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.470 -0.299 18220
8709 1 17 . 1 1 82 82 ARG H H 73 8.052 8.052 8.529 -0.477 18220
8710 1 17 . 1 1 83 83 SER N N 74 115.734 115.734 117.723 -1.989 18220
8711 1 17 . 1 1 83 83 SER CA C 74 58.355 58.355 57.887 0.468 18220
8712 1 17 . 1 1 83 83 SER CB C 74 63.404 63.404 64.214 -0.810 18220
8713 1 17 . 1 1 83 83 SER H H 74 7.912 7.912 8.327 -0.415 18220
8714 1 17 . 1 1 84 84 LYS N N 75 122.370 122.370 120.352 2.018 18220
8715 1 17 . 1 1 84 84 LYS CA C 75 56.135 56.135 55.930 0.205 18220
8716 1 17 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.775 -1.600 18220
8717 1 17 . 1 1 84 84 LYS H H 75 8.067 8.067 8.562 -0.495 18220
8718 1 17 . 1 1 86 86 ILE N N 77 119.592 119.592 122.905 -3.313 18220
8719 1 17 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.015 -0.205 18220
8720 1 17 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.686 3.214 18220
8721 1 17 . 1 1 86 86 ILE CB C 77 39.145 39.145 36.926 2.219 18220
8722 1 17 . 1 1 86 86 ILE H H 77 7.837 7.837 8.261 -0.424 18220
8723 1 17 . 1 1 87 87 MET N N 78 121.645 121.645 123.832 -2.187 18220
8724 1 17 . 1 1 87 87 MET CA C 78 52.982 52.982 53.778 -0.796 18220
8725 1 17 . 1 1 87 87 MET CB C 78 32.173 32.173 36.285 -4.112 18220
8726 1 17 . 1 1 87 87 MET H H 78 7.950 7.950 8.027 -0.077 18220
8727 1 17 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.693 -0.553 18220
8728 1 17 . 1 1 88 88 PRO C C 79 173.921 173.921 175.989 -2.068 18220
8729 1 17 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.938 -0.139 18220
8730 1 17 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.557 1.579 18220
8731 1 17 . 1 1 89 89 ALA N N 80 124.431 124.431 124.096 0.335 18220
8732 1 17 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.139 0.261 18220
8733 1 17 . 1 1 89 89 ALA C C 80 176.234 176.234 179.158 -2.924 18220
8734 1 17 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.974 -1.674 18220
8735 1 17 . 1 1 89 89 ALA CB C 80 18.498 18.498 19.001 -0.503 18220
8736 1 17 . 1 1 89 89 ALA H H 80 8.320 8.320 8.290 0.030 18220
8737 1 17 . 1 1 90 90 GLY N N 81 106.834 106.834 108.053 -1.219 18220
8738 1 17 . 1 1 90 90 GLY C C 81 172.398 172.398 175.788 -3.390 18220
8739 1 17 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.472 -1.872 18220
8740 1 17 . 1 1 90 90 GLY H H 81 8.458 8.458 8.587 -0.129 18220
8741 1 17 . 1 1 91 91 LEU N N 82 121.043 121.043 121.354 -0.311 18220
8742 1 17 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.953 0.247 18220
8743 1 17 . 1 1 91 91 LEU C C 82 174.783 174.783 178.713 -3.930 18220
8744 1 17 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.820 -1.520 18220
8745 1 17 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.114 -0.008 18220
8746 1 17 . 1 1 91 91 LEU H H 82 7.687 7.687 7.764 -0.077 18220
8747 1 17 . 1 1 92 92 VAL N N 83 114.737 114.737 117.965 -3.228 18220
8748 1 17 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.518 0.462 18220
8749 1 17 . 1 1 92 92 VAL C C 83 173.634 173.634 177.795 -4.161 18220
8750 1 17 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.144 -3.744 18220
8751 1 17 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.216 0.369 18220
8752 1 17 . 1 1 92 92 VAL H H 83 7.602 7.602 7.828 -0.226 18220
8753 1 17 . 1 1 93 93 ALA N N 84 124.320 124.320 121.449 2.871 18220
8754 1 17 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.096 0.054 18220
8755 1 17 . 1 1 93 93 ALA C C 84 175.746 175.746 179.731 -3.985 18220
8756 1 17 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.227 -1.927 18220
8757 1 17 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.060 0.181 18220
8758 1 17 . 1 1 93 93 ALA H H 84 7.891 7.891 8.174 -0.283 18220
8759 1 17 . 1 1 94 94 GLY N N 85 106.807 106.807 108.201 -1.394 18220
8760 1 17 . 1 1 94 94 GLY C C 85 171.752 171.752 175.671 -3.919 18220
8761 1 17 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.707 -1.458 18220
8762 1 17 . 1 1 94 94 GLY H H 85 8.204 8.204 8.290 -0.086 18220
8763 1 17 . 1 1 95 95 LEU N N 86 121.266 121.266 122.673 -1.407 18220
8764 1 17 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.959 0.421 18220
8765 1 17 . 1 1 95 95 LEU C C 86 173.702 173.702 178.636 -4.934 18220
8766 1 17 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.856 -2.856 18220
8767 1 17 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.679 0.619 18220
8768 1 17 . 1 1 95 95 LEU H H 86 7.718 7.718 8.163 -0.445 18220
8769 1 17 . 1 1 96 96 SER N N 87 115.658 115.658 114.933 0.725 18220
8770 1 17 . 1 1 96 96 SER HA H 87 4.370 4.370 4.134 0.236 18220
8771 1 17 . 1 1 96 96 SER C C 87 172.479 172.479 176.720 -4.241 18220
8772 1 17 . 1 1 96 96 SER CA C 87 57.200 57.200 61.906 -4.706 18220
8773 1 17 . 1 1 96 96 SER CB C 87 64.174 64.174 63.164 1.010 18220
8774 1 17 . 1 1 96 96 SER H H 87 7.659 7.659 8.026 -0.367 18220
8775 1 17 . 1 1 97 97 LEU N N 88 123.720 123.720 122.518 1.202 18220
8776 1 17 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.992 0.608 18220
8777 1 17 . 1 1 97 97 LEU C C 88 175.932 175.932 179.102 -3.170 18220
8778 1 17 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.900 -0.300 18220
8779 1 17 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.270 0.130 18220
8780 1 17 . 1 1 97 97 LEU H H 88 8.733 8.733 8.169 0.564 18220
8781 1 17 . 1 1 98 98 MET N N 89 116.684 116.684 118.681 -1.997 18220
8782 1 17 . 1 1 98 98 MET HA H 89 4.280 4.280 4.083 0.197 18220
8783 1 17 . 1 1 98 98 MET C C 89 175.789 175.789 178.613 -2.824 18220
8784 1 17 . 1 1 98 98 MET CA C 89 56.915 56.915 58.368 -1.453 18220
8785 1 17 . 1 1 98 98 MET CB C 89 31.007 31.007 32.354 -1.347 18220
8786 1 17 . 1 1 98 98 MET H H 89 8.342 8.342 8.303 0.039 18220
8787 1 17 . 1 1 99 99 MET N N 90 119.182 119.182 119.699 -0.517 18220
8788 1 17 . 1 1 99 99 MET HA H 90 4.110 4.110 4.016 0.094 18220
8789 1 17 . 1 1 99 99 MET C C 90 175.588 175.588 178.672 -3.084 18220
8790 1 17 . 1 1 99 99 MET CA C 90 57.951 57.951 59.672 -1.720 18220
8791 1 17 . 1 1 99 99 MET CB C 90 32.226 32.226 32.454 -0.228 18220
8792 1 17 . 1 1 99 99 MET H H 90 7.720 7.720 7.963 -0.243 18220
8793 1 17 . 1 1 100 100 ILE N N 91 119.077 119.077 119.798 -0.721 18220
8794 1 17 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.703 0.407 18220
8795 1 17 . 1 1 100 100 ILE C C 91 174.634 174.634 178.385 -3.751 18220
8796 1 17 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.388 -0.288 18220
8797 1 17 . 1 1 100 100 ILE CB C 91 37.143 37.143 36.588 0.555 18220
8798 1 17 . 1 1 100 100 ILE H H 91 7.662 7.662 8.298 -0.636 18220
8799 1 17 . 1 1 101 101 LEU N N 92 119.646 119.646 119.770 -0.124 18220
8800 1 17 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.981 0.549 18220
8801 1 17 . 1 1 101 101 LEU C C 92 175.430 175.430 179.546 -4.116 18220
8802 1 17 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.851 -0.051 18220
8803 1 17 . 1 1 101 101 LEU CB C 92 40.758 40.758 40.779 -0.021 18220
8804 1 17 . 1 1 101 101 LEU H H 92 8.142 8.142 8.229 -0.087 18220
8805 1 17 . 1 1 102 102 ARG N N 93 116.394 116.394 119.230 -2.836 18220
8806 1 17 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.121 0.019 18220
8807 1 17 . 1 1 102 102 ARG C C 93 175.961 175.961 178.760 -2.799 18220
8808 1 17 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.678 0.421 18220
8809 1 17 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.844 -0.440 18220
8810 1 17 . 1 1 102 102 ARG H H 93 7.893 7.893 7.943 -0.050 18220
8811 1 17 . 1 1 103 103 LEU N N 94 119.114 119.114 120.952 -1.838 18220
8812 1 17 . 1 1 103 103 LEU HA H 94 4.110 4.110 3.996 0.114 18220
8813 1 17 . 1 1 103 103 LEU C C 94 175.889 175.889 179.147 -3.258 18220
8814 1 17 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.677 -1.377 18220
8815 1 17 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.766 -0.470 18220
8816 1 17 . 1 1 103 103 LEU H H 94 7.622 7.622 8.056 -0.434 18220
8817 1 17 . 1 1 104 104 VAL N N 95 117.704 117.704 118.963 -1.259 18220
8818 1 17 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.615 -0.085 18220
8819 1 17 . 1 1 104 104 VAL C C 95 175.042 175.042 178.217 -3.175 18220
8820 1 17 . 1 1 104 104 VAL CA C 95 66.419 66.419 66.165 0.254 18220
8821 1 17 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.198 0.159 18220
8822 1 17 . 1 1 104 104 VAL H H 95 8.026 8.026 7.553 0.473 18220
8823 1 17 . 1 1 105 105 LEU N N 96 117.185 117.185 119.203 -2.018 18220
8824 1 17 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.925 0.055 18220
8825 1 17 . 1 1 105 105 LEU C C 96 176.579 176.579 178.658 -2.079 18220
8826 1 17 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.816 -1.016 18220
8827 1 17 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.730 -0.779 18220
8828 1 17 . 1 1 105 105 LEU H H 96 7.893 7.893 7.727 0.166 18220
8829 1 17 . 1 1 106 106 LEU N N 97 118.471 118.471 120.215 -1.744 18220
8830 1 17 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.949 0.231 18220
8831 1 17 . 1 1 106 106 LEU C C 97 175.802 175.802 178.442 -2.640 18220
8832 1 17 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.661 -1.361 18220
8833 1 17 . 1 1 106 106 LEU CB C 97 41.592 41.592 42.194 -0.603 18220
8834 1 17 . 1 1 106 106 LEU H H 97 7.545 7.545 7.766 -0.221 18220
8835 1 17 . 1 1 107 107 LEU N N 98 118.162 118.162 119.017 -0.855 18220
8836 1 17 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.026 0.204 18220
8837 1 17 . 1 1 107 107 LEU C C 98 174.174 174.174 177.945 -3.771 18220
8838 1 17 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.676 -0.393 18220
8839 1 17 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.519 -0.157 18220
8840 1 17 . 1 1 107 107 LEU H H 98 7.688 7.688 8.090 -0.402 18220
8841 1 18 . 1 1 11 11 ASP N N 2 120.536 120.536 121.581 -1.045 18220
8842 1 18 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.737 2.181 18220
8843 1 18 . 1 1 11 11 ASP CB C 2 37.959 37.959 42.840 -4.881 18220
8844 1 18 . 1 1 11 11 ASP H H 2 7.863 7.863 8.313 -0.450 18220
8845 1 18 . 1 1 12 12 LEU N N 3 121.414 121.414 121.923 -0.509 18220
8846 1 18 . 1 1 12 12 LEU C C 3 176.162 176.162 176.161 0.001 18220
8847 1 18 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.163 2.437 18220
8848 1 18 . 1 1 12 12 LEU CB C 3 41.657 41.657 44.040 -2.383 18220
8849 1 18 . 1 1 12 12 LEU H H 3 8.285 8.285 8.372 -0.087 18220
8850 1 18 . 1 1 13 13 ILE N N 4 118.854 118.854 121.363 -2.509 18220
8851 1 18 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.508 -0.768 18220
8852 1 18 . 1 1 13 13 ILE C C 4 175.228 175.228 176.040 -0.812 18220
8853 1 18 . 1 1 13 13 ILE CA C 4 64.500 64.500 60.087 4.413 18220
8854 1 18 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.260 -1.158 18220
8855 1 18 . 1 1 13 13 ILE H H 4 8.031 8.031 8.621 -0.590 18220
8856 1 18 . 1 1 14 14 GLY N N 5 107.478 107.478 109.660 -2.182 18220
8857 1 18 . 1 1 14 14 GLY C C 5 174.424 174.424 173.984 0.440 18220
8858 1 18 . 1 1 14 14 GLY CA C 5 47.059 47.059 44.525 2.534 18220
8859 1 18 . 1 1 14 14 GLY H H 5 8.148 8.148 7.981 0.167 18220
8860 1 18 . 1 1 15 15 PHE N N 6 122.774 122.774 123.380 -0.606 18220
8861 1 18 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.652 -0.172 18220
8862 1 18 . 1 1 15 15 PHE C C 6 175.113 175.113 176.643 -1.530 18220
8863 1 18 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.084 0.933 18220
8864 1 18 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.224 -0.450 18220
8865 1 18 . 1 1 15 15 PHE H H 6 8.194 8.194 8.687 -0.493 18220
8866 1 18 . 1 1 16 16 GLY N N 7 107.938 107.938 107.599 0.339 18220
8867 1 18 . 1 1 16 16 GLY C C 7 171.838 171.838 175.860 -4.022 18220
8868 1 18 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.600 -0.500 18220
8869 1 18 . 1 1 16 16 GLY H H 7 8.697 8.697 8.483 0.214 18220
8870 1 18 . 1 1 17 17 TYR N N 8 121.785 121.785 122.712 -0.927 18220
8871 1 18 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.068 0.082 18220
8872 1 18 . 1 1 17 17 TYR C C 8 174.180 174.180 177.313 -3.133 18220
8873 1 18 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.926 0.374 18220
8874 1 18 . 1 1 17 17 TYR CB C 8 37.959 37.959 37.902 0.057 18220
8875 1 18 . 1 1 17 17 TYR H H 8 8.710 8.710 8.011 0.699 18220
8876 1 18 . 1 1 18 18 ALA N N 9 120.233 120.233 121.168 -0.935 18220
8877 1 18 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.875 0.075 18220
8878 1 18 . 1 1 18 18 ALA C C 9 178.059 178.059 178.876 -0.817 18220
8879 1 18 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.035 -0.163 18220
8880 1 18 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.772 -0.210 18220
8881 1 18 . 1 1 18 18 ALA H H 9 7.843 7.843 8.096 -0.253 18220
8882 1 18 . 1 1 19 19 ALA N N 10 121.797 121.797 120.783 1.014 18220
8883 1 18 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.058 -0.108 18220
8884 1 18 . 1 1 19 19 ALA C C 10 176.191 176.191 179.647 -3.456 18220
8885 1 18 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.617 -0.018 18220
8886 1 18 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.066 -0.504 18220
8887 1 18 . 1 1 19 19 ALA H H 10 8.212 8.212 7.673 0.539 18220
8888 1 18 . 1 1 20 20 LEU N N 11 119.442 119.442 120.800 -1.358 18220
8889 1 18 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.095 -0.158 18220
8890 1 18 . 1 1 20 20 LEU C C 11 176.694 176.694 178.698 -2.004 18220
8891 1 18 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.313 -0.513 18220
8892 1 18 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.151 -0.929 18220
8893 1 18 . 1 1 20 20 LEU H H 11 8.065 8.065 7.859 0.206 18220
8894 1 18 . 1 1 21 21 VAL N N 12 118.323 118.323 118.941 -0.618 18220
8895 1 18 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.601 0.039 18220
8896 1 18 . 1 1 21 21 VAL C C 12 176.536 176.536 178.413 -1.877 18220
8897 1 18 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.610 -1.210 18220
8898 1 18 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.474 0.661 18220
8899 1 18 . 1 1 21 21 VAL H H 12 8.051 8.051 8.769 -0.718 18220
8900 1 18 . 1 1 22 22 THR N N 13 118.298 118.298 116.518 1.780 18220
8901 1 18 . 1 1 22 22 THR HA H 13 4.660 4.660 3.987 0.673 18220
8902 1 18 . 1 1 22 22 THR C C 13 173.734 173.734 176.718 -2.984 18220
8903 1 18 . 1 1 22 22 THR CA C 13 66.300 66.300 66.570 -0.270 18220
8904 1 18 . 1 1 22 22 THR CB C 13 67.775 67.775 68.468 -0.693 18220
8905 1 18 . 1 1 22 22 THR H H 13 7.944 7.944 8.084 -0.140 18220
8906 1 18 . 1 1 23 23 PHE N N 14 121.328 121.328 120.978 0.350 18220
8907 1 18 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.020 0.320 18220
8908 1 18 . 1 1 23 23 PHE C C 14 174.783 174.783 178.081 -3.298 18220
8909 1 18 . 1 1 23 23 PHE CA C 14 60.500 60.500 62.050 -1.550 18220
8910 1 18 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.841 -0.215 18220
8911 1 18 . 1 1 23 23 PHE H H 14 8.567 8.567 8.420 0.147 18220
8912 1 18 . 1 1 24 24 GLY N N 15 106.871 106.871 105.818 1.053 18220
8913 1 18 . 1 1 24 24 GLY C C 15 172.858 172.858 176.154 -3.296 18220
8914 1 18 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.275 -0.375 18220
8915 1 18 . 1 1 24 24 GLY H H 15 8.475 8.475 8.526 -0.051 18220
8916 1 18 . 1 1 25 25 SER N N 16 116.214 116.214 118.593 -2.379 18220
8917 1 18 . 1 1 25 25 SER HA H 16 4.280 4.280 4.098 0.182 18220
8918 1 18 . 1 1 25 25 SER CA C 16 60.300 60.300 62.256 -1.956 18220
8919 1 18 . 1 1 25 25 SER CB C 16 62.879 62.879 62.908 -0.029 18220
8920 1 18 . 1 1 25 25 SER H H 16 7.963 7.963 8.448 -0.485 18220
8921 1 18 . 1 1 26 26 ILE N N 17 121.024 121.024 121.572 -0.548 18220
8922 1 18 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.788 0.158 18220
8923 1 18 . 1 1 26 26 ILE C C 17 173.935 173.935 176.989 -3.054 18220
8924 1 18 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.700 -1.600 18220
8925 1 18 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.036 0.070 18220
8926 1 18 . 1 1 26 26 ILE H H 17 7.676 7.676 8.166 -0.490 18220
8927 1 18 . 1 1 27 27 PHE N N 18 117.142 117.142 118.504 -1.362 18220
8928 1 18 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.291 0.139 18220
8929 1 18 . 1 1 27 27 PHE C C 18 173.504 173.504 177.120 -3.616 18220
8930 1 18 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.424 -1.924 18220
8931 1 18 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.193 -0.419 18220
8932 1 18 . 1 1 27 27 PHE H H 18 7.703 7.703 8.094 -0.391 18220
8933 1 18 . 1 1 28 28 GLY N N 19 107.303 107.303 103.777 3.526 18220
8934 1 18 . 1 1 28 28 GLY C C 19 171.593 171.593 173.711 -2.118 18220
8935 1 18 . 1 1 28 28 GLY CA C 19 45.600 45.600 44.929 0.671 18220
8936 1 18 . 1 1 28 28 GLY H H 19 7.722 7.722 7.690 0.032 18220
8937 1 18 . 1 1 29 29 TYR N N 20 119.862 119.862 119.752 0.110 18220
8938 1 18 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.144 0.248 18220
8939 1 18 . 1 1 29 29 TYR C C 20 173.174 173.174 174.670 -1.496 18220
8940 1 18 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.343 0.157 18220
8941 1 18 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.202 1.202 18220
8942 1 18 . 1 1 29 29 TYR H H 20 7.880 7.880 7.763 0.117 18220
8943 1 18 . 1 1 30 30 LYS N N 21 122.335 122.335 125.872 -3.537 18220
8944 1 18 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.147 0.243 18220
8945 1 18 . 1 1 30 30 LYS C C 21 173.547 173.547 176.302 -2.755 18220
8946 1 18 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.574 -0.774 18220
8947 1 18 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.453 -1.057 18220
8948 1 18 . 1 1 30 30 LYS H H 21 7.934 7.934 8.123 -0.189 18220
8949 1 18 . 1 1 31 31 ARG N N 22 120.612 120.612 120.033 0.579 18220
8950 1 18 . 1 1 31 31 ARG C C 22 173.547 173.547 174.103 -0.556 18220
8951 1 18 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.546 0.288 18220
8952 1 18 . 1 1 31 31 ARG CB C 22 30.101 30.101 32.409 -2.308 18220
8953 1 18 . 1 1 31 31 ARG H H 22 7.905 7.905 8.074 -0.169 18220
8954 1 18 . 1 1 32 32 ARG N N 23 121.748 121.748 121.839 -0.091 18220
8955 1 18 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.771 -0.461 18220
8956 1 18 . 1 1 32 32 ARG C C 23 173.863 173.863 174.692 -0.829 18220
8957 1 18 . 1 1 32 32 ARG CA C 23 55.800 55.800 55.383 0.417 18220
8958 1 18 . 1 1 32 32 ARG CB C 23 30.245 30.245 31.417 -1.172 18220
8959 1 18 . 1 1 32 32 ARG H H 23 8.175 8.175 8.715 -0.540 18220
8960 1 18 . 1 1 33 33 GLY N N 24 109.528 109.528 109.533 -0.005 18220
8961 1 18 . 1 1 33 33 GLY C C 24 171.752 171.752 173.944 -2.192 18220
8962 1 18 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.173 0.727 18220
8963 1 18 . 1 1 33 33 GLY H H 24 8.264 8.264 8.357 -0.093 18220
8964 1 18 . 1 1 34 34 GLY N N 25 108.563 108.563 108.534 0.029 18220
8965 1 18 . 1 1 34 34 GLY C C 25 171.701 171.701 172.854 -1.153 18220
8966 1 18 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.763 -0.163 18220
8967 1 18 . 1 1 34 34 GLY H H 25 8.208 8.208 8.284 -0.076 18220
8968 1 18 . 1 1 35 35 VAL N N 26 121.164 121.164 118.397 2.767 18220
8969 1 18 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.806 0.204 18220
8970 1 18 . 1 1 35 35 VAL C C 26 175.888 175.888 174.386 1.502 18220
8971 1 18 . 1 1 35 35 VAL CA C 26 63.900 63.900 62.338 1.562 18220
8972 1 18 . 1 1 35 35 VAL CB C 26 30.690 30.690 32.482 -1.792 18220
8973 1 18 . 1 1 35 35 VAL H H 26 8.485 8.485 8.016 0.469 18220
8974 1 18 . 1 1 36 36 PRO C C 27 177.660 177.660 175.558 2.102 18220
8975 1 18 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.730 -1.883 18220
8976 1 18 . 1 1 37 37 SER N N 28 116.023 116.023 116.099 -0.076 18220
8977 1 18 . 1 1 37 37 SER HA H 28 4.280 4.280 4.380 -0.100 18220
8978 1 18 . 1 1 37 37 SER CA C 28 61.100 61.100 59.399 1.701 18220
8979 1 18 . 1 1 37 37 SER H H 28 7.948 7.948 8.409 -0.461 18220
8980 1 18 . 1 1 38 38 LEU N N 29 124.029 124.029 125.463 -1.434 18220
8981 1 18 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.980 0.190 18220
8982 1 18 . 1 1 38 38 LEU C C 29 176.132 176.132 178.411 -2.279 18220
8983 1 18 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.526 -1.026 18220
8984 1 18 . 1 1 38 38 LEU CB C 29 42.038 42.038 42.203 -0.165 18220
8985 1 18 . 1 1 38 38 LEU H H 29 8.201 8.201 8.329 -0.128 18220
8986 1 18 . 1 1 39 39 ILE N N 30 117.098 117.098 118.451 -1.353 18220
8987 1 18 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.607 0.763 18220
8988 1 18 . 1 1 39 39 ILE C C 30 176.478 176.478 176.534 -0.056 18220
8989 1 18 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.770 -1.691 18220
8990 1 18 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.900 -0.927 18220
8991 1 18 . 1 1 39 39 ILE H H 30 7.662 7.662 7.435 0.227 18220
8992 1 18 . 1 1 40 40 ALA N N 31 122.447 122.447 120.812 1.635 18220
8993 1 18 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.056 -0.022 18220
8994 1 18 . 1 1 40 40 ALA C C 31 177.067 177.067 179.761 -2.694 18220
8995 1 18 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.477 0.485 18220
8996 1 18 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.564 0.292 18220
8997 1 18 . 1 1 40 40 ALA H H 31 8.096 8.096 7.882 0.214 18220
8998 1 18 . 1 1 41 41 GLY N N 32 104.056 104.056 106.672 -2.616 18220
8999 1 18 . 1 1 41 41 GLY C C 32 174.251 174.251 175.944 -1.693 18220
9000 1 18 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.762 -0.262 18220
9001 1 18 . 1 1 41 41 GLY H H 32 8.123 8.123 7.856 0.267 18220
9002 1 18 . 1 1 42 42 LEU N N 33 123.250 123.250 121.711 1.539 18220
9003 1 18 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.108 -0.251 18220
9004 1 18 . 1 1 42 42 LEU C C 33 176.033 176.033 179.071 -3.038 18220
9005 1 18 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.451 -0.783 18220
9006 1 18 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.011 -0.290 18220
9007 1 18 . 1 1 42 42 LEU H H 33 7.914 7.914 7.926 -0.012 18220
9008 1 18 . 1 1 43 43 PHE N N 34 119.757 119.757 120.512 -0.755 18220
9009 1 18 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.151 0.049 18220
9010 1 18 . 1 1 43 43 PHE C C 34 174.374 174.374 177.462 -3.088 18220
9011 1 18 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.621 -2.745 18220
9012 1 18 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.902 -0.068 18220
9013 1 18 . 1 1 43 43 PHE H H 34 8.287 8.287 8.631 -0.344 18220
9014 1 18 . 1 1 44 44 VAL N N 35 117.791 117.791 118.424 -0.633 18220
9015 1 18 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.649 -0.039 18220
9016 1 18 . 1 1 44 44 VAL C C 35 176.205 176.205 178.327 -2.122 18220
9017 1 18 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.473 -2.914 18220
9018 1 18 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.239 0.193 18220
9019 1 18 . 1 1 44 44 VAL H H 35 8.235 8.235 8.613 -0.378 18220
9020 1 18 . 1 1 45 45 GLY N N 36 108.551 108.551 106.934 1.617 18220
9021 1 18 . 1 1 45 45 GLY C C 36 173.749 173.749 175.996 -2.247 18220
9022 1 18 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.401 -1.317 18220
9023 1 18 . 1 1 45 45 GLY H H 36 8.178 8.178 8.150 0.028 18220
9024 1 18 . 1 1 46 46 CYS N N 37 121.173 121.173 121.406 -0.233 18220
9025 1 18 . 1 1 46 46 CYS HA H 37 4.180 4.180 3.939 0.241 18220
9026 1 18 . 1 1 46 46 CYS C C 37 173.710 173.710 176.718 -3.008 18220
9027 1 18 . 1 1 46 46 CYS CA C 37 63.000 63.000 62.898 0.102 18220
9028 1 18 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.156 33.127 18220
9029 1 18 . 1 1 46 46 CYS H H 37 8.253 8.253 7.897 0.356 18220
9030 1 18 . 1 1 47 47 LEU N N 38 120.283 120.283 120.704 -0.421 18220
9031 1 18 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.711 0.349 18220
9032 1 18 . 1 1 47 47 LEU C C 38 176.679 176.679 178.922 -2.243 18220
9033 1 18 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.982 -1.955 18220
9034 1 18 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.894 -0.430 18220
9035 1 18 . 1 1 47 47 LEU H H 38 7.965 7.965 8.341 -0.376 18220
9036 1 18 . 1 1 48 48 ALA N N 39 122.249 122.249 120.289 1.960 18220
9037 1 18 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.023 0.119 18220
9038 1 18 . 1 1 48 48 ALA C C 39 177.915 177.915 179.600 -1.685 18220
9039 1 18 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.413 -1.696 18220
9040 1 18 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.006 -0.021 18220
9041 1 18 . 1 1 48 48 ALA H H 39 8.066 8.066 8.462 -0.396 18220
9042 1 18 . 1 1 49 49 GLY N N 40 107.377 107.377 107.362 0.015 18220
9043 1 18 . 1 1 49 49 GLY C C 40 172.527 172.527 175.841 -3.314 18220
9044 1 18 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.159 -1.709 18220
9045 1 18 . 1 1 49 49 GLY H H 40 8.172 8.172 8.254 -0.082 18220
9046 1 18 . 1 1 50 50 TYR N N 41 122.409 122.409 123.502 -1.093 18220
9047 1 18 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.954 -0.155 18220
9048 1 18 . 1 1 50 50 TYR C C 41 174.208 174.208 178.410 -4.202 18220
9049 1 18 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.842 -1.597 18220
9050 1 18 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.054 -0.118 18220
9051 1 18 . 1 1 50 50 TYR H H 41 7.800 7.800 8.361 -0.561 18220
9052 1 18 . 1 1 51 51 GLY N N 42 106.935 106.935 105.709 1.226 18220
9053 1 18 . 1 1 51 51 GLY C C 42 172.642 172.642 175.585 -2.943 18220
9054 1 18 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.925 -0.660 18220
9055 1 18 . 1 1 51 51 GLY H H 42 8.199 8.199 8.260 -0.061 18220
9056 1 18 . 1 1 52 52 ALA N N 43 123.018 123.018 124.147 -1.129 18220
9057 1 18 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.004 0.146 18220
9058 1 18 . 1 1 52 52 ALA C C 43 176.398 176.398 178.973 -2.575 18220
9059 1 18 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.522 -1.639 18220
9060 1 18 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.503 -0.262 18220
9061 1 18 . 1 1 52 52 ALA H H 43 7.758 7.758 8.199 -0.441 18220
9062 1 18 . 1 1 53 53 TYR N N 44 119.664 119.664 118.214 1.450 18220
9063 1 18 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.129 0.189 18220
9064 1 18 . 1 1 53 53 TYR C C 44 174.180 174.180 178.098 -3.918 18220
9065 1 18 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.429 -2.836 18220
9066 1 18 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.438 -0.246 18220
9067 1 18 . 1 1 53 53 TYR H H 44 7.920 7.920 8.180 -0.260 18220
9068 1 18 . 1 1 54 54 ARG N N 45 119.516 119.516 118.559 0.957 18220
9069 1 18 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.011 -0.081 18220
9070 1 18 . 1 1 54 54 ARG C C 45 174.423 174.423 177.351 -2.928 18220
9071 1 18 . 1 1 54 54 ARG CA C 45 56.027 56.027 58.923 -2.896 18220
9072 1 18 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.780 -0.608 18220
9073 1 18 . 1 1 54 54 ARG H H 45 7.956 7.956 8.129 -0.173 18220
9074 1 18 . 1 1 55 55 VAL N N 46 116.437 116.437 113.293 3.144 18220
9075 1 18 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.982 0.078 18220
9076 1 18 . 1 1 55 55 VAL C C 46 173.806 173.806 174.818 -1.012 18220
9077 1 18 . 1 1 55 55 VAL CA C 46 62.300 62.300 62.914 -0.614 18220
9078 1 18 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.473 -0.952 18220
9079 1 18 . 1 1 55 55 VAL H H 46 7.489 7.489 7.596 -0.107 18220
9080 1 18 . 1 1 56 56 SER N N 47 117.185 117.185 120.095 -2.910 18220
9081 1 18 . 1 1 56 56 SER HA H 47 4.401 4.401 4.387 0.014 18220
9082 1 18 . 1 1 56 56 SER C C 47 172.074 172.074 173.525 -1.451 18220
9083 1 18 . 1 1 56 56 SER CA C 47 58.133 58.133 59.965 -1.832 18220
9084 1 18 . 1 1 56 56 SER CB C 47 63.468 63.468 61.914 1.554 18220
9085 1 18 . 1 1 56 56 SER H H 47 7.728 7.728 8.448 -0.720 18220
9086 1 18 . 1 1 57 57 ASN N N 48 121.049 121.049 121.469 -0.420 18220
9087 1 18 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.713 -0.123 18220
9088 1 18 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.953 -0.353 18220
9089 1 18 . 1 1 57 57 ASN CB C 48 38.641 38.641 40.530 -1.889 18220
9090 1 18 . 1 1 57 57 ASN H H 48 8.228 8.228 8.335 -0.107 18220
9091 1 18 . 1 1 58 58 ASP N N 49 120.276 120.276 122.223 -1.947 18220
9092 1 18 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.386 0.144 18220
9093 1 18 . 1 1 58 58 ASP CA C 49 54.202 54.202 56.063 -1.861 18220
9094 1 18 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.002 -0.628 18220
9095 1 18 . 1 1 58 58 ASP H H 49 8.192 8.192 8.717 -0.525 18220
9096 1 18 . 1 1 59 59 LYS N N 50 120.660 120.660 117.870 2.790 18220
9097 1 18 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.233 -0.033 18220
9098 1 18 . 1 1 59 59 LYS C C 50 173.474 173.474 175.424 -1.950 18220
9099 1 18 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.506 -0.206 18220
9100 1 18 . 1 1 59 59 LYS CB C 50 32.034 32.034 33.385 -1.351 18220
9101 1 18 . 1 1 59 59 LYS H H 50 8.003 8.003 7.924 0.079 18220
9102 1 18 . 1 1 60 60 ARG N N 51 121.278 121.278 115.767 5.511 18220
9103 1 18 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.292 -0.092 18220
9104 1 18 . 1 1 60 60 ARG C C 51 173.303 173.303 177.016 -3.713 18220
9105 1 18 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.219 -0.936 18220
9106 1 18 . 1 1 60 60 ARG CB C 51 30.238 30.238 29.808 0.430 18220
9107 1 18 . 1 1 60 60 ARG H H 51 8.091 8.091 8.243 -0.152 18220
9108 1 18 . 1 1 61 61 ASP N N 52 121.185 121.185 123.431 -2.246 18220
9109 1 18 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.399 0.216 18220
9110 1 18 . 1 1 61 61 ASP C C 52 173.777 173.777 177.055 -3.278 18220
9111 1 18 . 1 1 61 61 ASP CA C 52 53.979 53.979 57.473 -3.494 18220
9112 1 18 . 1 1 61 61 ASP CB C 52 40.245 40.245 40.717 -0.472 18220
9113 1 18 . 1 1 61 61 ASP H H 52 8.261 8.261 8.622 -0.361 18220
9114 1 18 . 1 1 62 62 VAL N N 53 121.902 121.902 113.865 8.037 18220
9115 1 18 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.140 -0.190 18220
9116 1 18 . 1 1 62 62 VAL C C 53 173.279 173.279 175.200 -1.921 18220
9117 1 18 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.482 -0.306 18220
9118 1 18 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.766 -0.667 18220
9119 1 18 . 1 1 62 62 VAL H H 53 7.997 7.997 7.648 0.349 18220
9120 1 18 . 1 1 63 63 LYS N N 54 123.522 123.522 121.213 2.309 18220
9121 1 18 . 1 1 63 63 LYS HA H 54 4.260 4.260 3.966 0.294 18220
9122 1 18 . 1 1 63 63 LYS C C 54 174.481 174.481 178.093 -3.612 18220
9123 1 18 . 1 1 63 63 LYS CA C 54 56.347 56.347 60.140 -3.793 18220
9124 1 18 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.568 0.531 18220
9125 1 18 . 1 1 63 63 LYS H H 54 8.054 8.054 8.411 -0.357 18220
9126 1 18 . 1 1 64 64 VAL N N 55 120.647 120.647 114.260 6.387 18220
9127 1 18 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.649 0.298 18220
9128 1 18 . 1 1 64 64 VAL C C 55 174.955 174.955 177.870 -2.915 18220
9129 1 18 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.985 -1.385 18220
9130 1 18 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.992 0.885 18220
9131 1 18 . 1 1 64 64 VAL H H 55 8.225 8.225 7.926 0.299 18220
9132 1 18 . 1 1 65 65 SER N N 56 117.785 117.785 115.167 2.618 18220
9133 1 18 . 1 1 65 65 SER HA H 56 4.390 4.390 4.119 0.271 18220
9134 1 18 . 1 1 65 65 SER C C 56 172.300 172.300 176.618 -4.318 18220
9135 1 18 . 1 1 65 65 SER CA C 56 60.000 60.000 62.144 -2.143 18220
9136 1 18 . 1 1 65 65 SER CB C 56 62.879 62.879 63.026 -0.147 18220
9137 1 18 . 1 1 65 65 SER H H 56 8.260 8.260 8.190 0.070 18220
9138 1 18 . 1 1 66 66 LEU N N 57 123.318 123.318 122.002 1.316 18220
9139 1 18 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.083 0.007 18220
9140 1 18 . 1 1 66 66 LEU C C 57 175.932 175.932 178.277 -2.345 18220
9141 1 18 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.920 -0.418 18220
9142 1 18 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.931 -0.210 18220
9143 1 18 . 1 1 66 66 LEU H H 57 8.091 8.091 7.471 0.620 18220
9144 1 18 . 1 1 67 67 PHE N N 58 118.020 118.020 118.391 -0.371 18220
9145 1 18 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.522 -0.192 18220
9146 1 18 . 1 1 67 67 PHE C C 58 174.912 174.912 177.272 -2.360 18220
9147 1 18 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.001 -0.401 18220
9148 1 18 . 1 1 67 67 PHE CB C 58 38.552 38.552 39.174 -0.622 18220
9149 1 18 . 1 1 67 67 PHE H H 58 8.066 8.066 8.552 -0.486 18220
9150 1 18 . 1 1 68 68 THR N N 59 115.324 115.324 117.767 -2.443 18220
9151 1 18 . 1 1 68 68 THR HA H 59 4.310 4.310 3.965 0.345 18220
9152 1 18 . 1 1 68 68 THR C C 59 173.380 173.380 176.410 -3.030 18220
9153 1 18 . 1 1 68 68 THR CA C 59 66.313 66.313 67.136 -0.823 18220
9154 1 18 . 1 1 68 68 THR CB C 59 67.700 67.700 68.695 -0.995 18220
9155 1 18 . 1 1 68 68 THR H H 59 8.287 8.287 8.261 0.026 18220
9156 1 18 . 1 1 69 69 ALA N N 60 123.621 123.621 124.531 -0.910 18220
9157 1 18 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.214 0.066 18220
9158 1 18 . 1 1 69 69 ALA C C 60 176.978 176.978 179.252 -2.274 18220
9159 1 18 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.063 0.036 18220
9160 1 18 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.119 -0.391 18220
9161 1 18 . 1 1 69 69 ALA H H 60 7.983 7.983 8.616 -0.633 18220
9162 1 18 . 1 1 70 70 PHE N N 61 118.520 118.520 120.369 -1.849 18220
9163 1 18 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.143 0.117 18220
9164 1 18 . 1 1 70 70 PHE C C 61 175.369 175.369 176.747 -1.378 18220
9165 1 18 . 1 1 70 70 PHE CA C 61 60.179 60.179 60.914 -0.735 18220
9166 1 18 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.028 -0.322 18220
9167 1 18 . 1 1 70 70 PHE H H 61 8.007 8.007 8.389 -0.382 18220
9168 1 18 . 1 1 71 71 PHE N N 62 122.314 122.314 119.625 2.689 18220
9169 1 18 . 1 1 71 71 PHE HA H 62 4.000 4.000 3.639 0.361 18220
9170 1 18 . 1 1 71 71 PHE C C 62 174.697 174.697 177.193 -2.496 18220
9171 1 18 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.124 -0.607 18220
9172 1 18 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.650 0.120 18220
9173 1 18 . 1 1 71 71 PHE H H 62 8.546 8.546 7.976 0.570 18220
9174 1 18 . 1 1 72 72 LEU N N 63 119.399 119.399 120.150 -0.751 18220
9175 1 18 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.606 0.264 18220
9176 1 18 . 1 1 72 72 LEU C C 63 175.774 175.774 178.513 -2.739 18220
9177 1 18 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.404 -1.479 18220
9178 1 18 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.781 -0.574 18220
9179 1 18 . 1 1 72 72 LEU H H 63 8.396 8.396 8.152 0.244 18220
9180 1 18 . 1 1 73 73 ALA N N 64 120.221 120.221 120.278 -0.057 18220
9181 1 18 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.807 0.153 18220
9182 1 18 . 1 1 73 73 ALA C C 64 177.267 177.267 179.423 -2.156 18220
9183 1 18 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.480 -0.880 18220
9184 1 18 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.926 -0.142 18220
9185 1 18 . 1 1 73 73 ALA H H 64 8.025 8.025 8.493 -0.468 18220
9186 1 18 . 1 1 74 74 THR N N 65 113.648 113.648 112.950 0.698 18220
9187 1 18 . 1 1 74 74 THR HA H 65 3.980 3.980 3.927 0.053 18220
9188 1 18 . 1 1 74 74 THR CA C 65 66.291 66.291 65.990 0.301 18220
9189 1 18 . 1 1 74 74 THR CB C 65 67.914 67.914 68.128 -0.214 18220
9190 1 18 . 1 1 74 74 THR H H 65 7.717 7.717 7.820 -0.103 18220
9191 1 18 . 1 1 75 75 ILE N N 66 120.291 120.291 119.387 0.904 18220
9192 1 18 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.671 0.069 18220
9193 1 18 . 1 1 75 75 ILE C C 66 174.951 174.951 176.940 -1.989 18220
9194 1 18 . 1 1 75 75 ILE CA C 66 64.880 64.880 62.697 2.183 18220
9195 1 18 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.257 -0.091 18220
9196 1 18 . 1 1 75 75 ILE H H 66 7.738 7.738 7.553 0.185 18220
9197 1 18 . 1 1 76 76 MET N N 67 117.618 117.618 116.947 0.671 18220
9198 1 18 . 1 1 76 76 MET HA H 67 4.220 4.220 4.323 -0.103 18220
9199 1 18 . 1 1 76 76 MET C C 67 175.142 175.142 178.246 -3.104 18220
9200 1 18 . 1 1 76 76 MET CA C 67 56.723 56.723 57.745 -1.022 18220
9201 1 18 . 1 1 76 76 MET CB C 67 31.951 31.951 33.761 -1.810 18220
9202 1 18 . 1 1 76 76 MET H H 67 7.823 7.823 8.017 -0.194 18220
9203 1 18 . 1 1 77 77 GLY N N 68 107.110 107.110 107.055 0.055 18220
9204 1 18 . 1 1 77 77 GLY C C 68 172.260 172.260 173.961 -1.701 18220
9205 1 18 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.118 0.682 18220
9206 1 18 . 1 1 77 77 GLY H H 68 7.937 7.937 8.717 -0.780 18220
9207 1 18 . 1 1 78 78 VAL N N 69 120.431 120.431 122.932 -2.501 18220
9208 1 18 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.175 0.045 18220
9209 1 18 . 1 1 78 78 VAL CA C 69 63.900 63.900 61.187 2.713 18220
9210 1 18 . 1 1 78 78 VAL CB C 69 31.506 31.506 33.925 -2.419 18220
9211 1 18 . 1 1 78 78 VAL H H 69 7.697 7.697 7.734 -0.037 18220
9212 1 18 . 1 1 79 79 ARG N N 70 121.420 121.420 126.785 -5.365 18220
9213 1 18 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.174 -0.364 18220
9214 1 18 . 1 1 79 79 ARG CA C 70 56.400 56.400 57.012 -0.612 18220
9215 1 18 . 1 1 79 79 ARG CB C 70 30.097 30.097 28.454 1.643 18220
9216 1 18 . 1 1 79 79 ARG H H 70 7.889 7.889 8.879 -0.990 18220
9217 1 18 . 1 1 80 80 PHE N N 71 119.949 119.949 120.982 -1.033 18220
9218 1 18 . 1 1 80 80 PHE HA H 71 4.510 4.510 3.983 0.527 18220
9219 1 18 . 1 1 80 80 PHE CA C 71 58.600 58.600 61.366 -2.766 18220
9220 1 18 . 1 1 80 80 PHE CB C 71 39.145 39.145 38.824 0.321 18220
9221 1 18 . 1 1 80 80 PHE H H 71 8.101 8.101 8.892 -0.791 18220
9222 1 18 . 1 1 81 81 LYS N N 72 122.193 122.193 118.671 3.522 18220
9223 1 18 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.830 0.970 18220
9224 1 18 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.437 -1.115 18220
9225 1 18 . 1 1 81 81 LYS H H 72 8.090 8.090 8.628 -0.538 18220
9226 1 18 . 1 1 82 82 ARG N N 73 119.650 119.650 119.808 -0.158 18220
9227 1 18 . 1 1 82 82 ARG CA C 73 56.089 56.089 57.559 -1.470 18220
9228 1 18 . 1 1 82 82 ARG CB C 73 30.171 30.171 28.599 1.572 18220
9229 1 18 . 1 1 82 82 ARG H H 73 8.052 8.052 8.289 -0.237 18220
9230 1 18 . 1 1 83 83 SER N N 74 115.734 115.734 116.170 -0.436 18220
9231 1 18 . 1 1 83 83 SER CA C 74 58.355 58.355 58.012 0.343 18220
9232 1 18 . 1 1 83 83 SER CB C 74 63.404 63.404 65.334 -1.930 18220
9233 1 18 . 1 1 83 83 SER H H 74 7.912 7.912 8.309 -0.397 18220
9234 1 18 . 1 1 84 84 LYS N N 75 122.370 122.370 120.904 1.466 18220
9235 1 18 . 1 1 84 84 LYS CA C 75 56.135 56.135 55.512 0.623 18220
9236 1 18 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.821 -0.646 18220
9237 1 18 . 1 1 84 84 LYS H H 75 8.067 8.067 8.472 -0.405 18220
9238 1 18 . 1 1 86 86 ILE N N 77 119.592 119.592 120.419 -0.827 18220
9239 1 18 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.630 0.180 18220
9240 1 18 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.591 2.309 18220
9241 1 18 . 1 1 86 86 ILE CB C 77 39.145 39.145 37.746 1.399 18220
9242 1 18 . 1 1 86 86 ILE H H 77 7.837 7.837 7.810 0.027 18220
9243 1 18 . 1 1 87 87 MET N N 78 121.645 121.645 118.702 2.943 18220
9244 1 18 . 1 1 87 87 MET CA C 78 52.982 52.982 56.661 -3.679 18220
9245 1 18 . 1 1 87 87 MET CB C 78 32.173 32.173 31.957 0.216 18220
9246 1 18 . 1 1 87 87 MET H H 78 7.950 7.950 7.985 -0.035 18220
9247 1 18 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.361 -0.221 18220
9248 1 18 . 1 1 88 88 PRO C C 79 173.921 173.921 178.324 -4.403 18220
9249 1 18 . 1 1 88 88 PRO CA C 79 62.800 62.800 65.542 -2.742 18220
9250 1 18 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.421 -0.285 18220
9251 1 18 . 1 1 89 89 ALA N N 80 124.431 124.431 121.779 2.652 18220
9252 1 18 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.978 0.422 18220
9253 1 18 . 1 1 89 89 ALA C C 80 176.234 176.234 179.810 -3.576 18220
9254 1 18 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.926 -1.626 18220
9255 1 18 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.977 0.521 18220
9256 1 18 . 1 1 89 89 ALA H H 80 8.320 8.320 8.497 -0.177 18220
9257 1 18 . 1 1 90 90 GLY N N 81 106.834 106.834 107.116 -0.282 18220
9258 1 18 . 1 1 90 90 GLY C C 81 172.398 172.398 176.482 -4.084 18220
9259 1 18 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.005 -1.405 18220
9260 1 18 . 1 1 90 90 GLY H H 81 8.458 8.458 8.482 -0.024 18220
9261 1 18 . 1 1 91 91 LEU N N 82 121.043 121.043 122.122 -1.079 18220
9262 1 18 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.984 0.216 18220
9263 1 18 . 1 1 91 91 LEU C C 82 174.783 174.783 178.910 -4.127 18220
9264 1 18 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.179 -1.879 18220
9265 1 18 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.018 0.088 18220
9266 1 18 . 1 1 91 91 LEU H H 82 7.687 7.687 7.968 -0.281 18220
9267 1 18 . 1 1 92 92 VAL N N 83 114.737 114.737 118.332 -3.595 18220
9268 1 18 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.589 0.391 18220
9269 1 18 . 1 1 92 92 VAL C C 83 173.634 173.634 178.012 -4.378 18220
9270 1 18 . 1 1 92 92 VAL CA C 83 62.400 62.400 65.882 -3.482 18220
9271 1 18 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.672 0.913 18220
9272 1 18 . 1 1 92 92 VAL H H 83 7.602 7.602 7.822 -0.220 18220
9273 1 18 . 1 1 93 93 ALA N N 84 124.320 124.320 121.630 2.690 18220
9274 1 18 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.139 0.011 18220
9275 1 18 . 1 1 93 93 ALA C C 84 175.746 175.746 179.897 -4.151 18220
9276 1 18 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.210 -1.910 18220
9277 1 18 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.167 0.074 18220
9278 1 18 . 1 1 93 93 ALA H H 84 7.891 7.891 8.227 -0.336 18220
9279 1 18 . 1 1 94 94 GLY N N 85 106.807 106.807 107.963 -1.156 18220
9280 1 18 . 1 1 94 94 GLY C C 85 171.752 171.752 176.054 -4.302 18220
9281 1 18 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.838 -1.589 18220
9282 1 18 . 1 1 94 94 GLY H H 85 8.204 8.204 8.111 0.093 18220
9283 1 18 . 1 1 95 95 LEU N N 86 121.266 121.266 123.278 -2.012 18220
9284 1 18 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.946 0.434 18220
9285 1 18 . 1 1 95 95 LEU C C 86 173.702 173.702 179.523 -5.821 18220
9286 1 18 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.909 -2.909 18220
9287 1 18 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.626 0.673 18220
9288 1 18 . 1 1 95 95 LEU H H 86 7.718 7.718 8.350 -0.632 18220
9289 1 18 . 1 1 96 96 SER N N 87 115.658 115.658 115.153 0.505 18220
9290 1 18 . 1 1 96 96 SER HA H 87 4.370 4.370 4.148 0.222 18220
9291 1 18 . 1 1 96 96 SER C C 87 172.479 172.479 176.889 -4.410 18220
9292 1 18 . 1 1 96 96 SER CA C 87 57.200 57.200 62.037 -4.837 18220
9293 1 18 . 1 1 96 96 SER CB C 87 64.174 64.174 62.864 1.310 18220
9294 1 18 . 1 1 96 96 SER H H 87 7.659 7.659 8.060 -0.401 18220
9295 1 18 . 1 1 97 97 LEU N N 88 123.720 123.720 122.778 0.942 18220
9296 1 18 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.922 0.678 18220
9297 1 18 . 1 1 97 97 LEU C C 88 175.932 175.932 178.795 -2.863 18220
9298 1 18 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.373 -0.773 18220
9299 1 18 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.964 -0.563 18220
9300 1 18 . 1 1 97 97 LEU H H 88 8.733 8.733 8.166 0.567 18220
9301 1 18 . 1 1 98 98 MET N N 89 116.684 116.684 118.574 -1.890 18220
9302 1 18 . 1 1 98 98 MET HA H 89 4.280 4.280 3.965 0.315 18220
9303 1 18 . 1 1 98 98 MET C C 89 175.789 175.789 178.779 -2.990 18220
9304 1 18 . 1 1 98 98 MET CA C 89 56.915 56.915 58.758 -1.843 18220
9305 1 18 . 1 1 98 98 MET CB C 89 31.007 31.007 32.203 -1.196 18220
9306 1 18 . 1 1 98 98 MET H H 89 8.342 8.342 8.252 0.090 18220
9307 1 18 . 1 1 99 99 MET N N 90 119.182 119.182 118.296 0.886 18220
9308 1 18 . 1 1 99 99 MET HA H 90 4.110 4.110 4.084 0.026 18220
9309 1 18 . 1 1 99 99 MET C C 90 175.588 175.588 178.914 -3.326 18220
9310 1 18 . 1 1 99 99 MET CA C 90 57.951 57.951 58.292 -0.341 18220
9311 1 18 . 1 1 99 99 MET CB C 90 32.226 32.226 31.485 0.741 18220
9312 1 18 . 1 1 99 99 MET H H 90 7.720 7.720 8.066 -0.346 18220
9313 1 18 . 1 1 100 100 ILE N N 91 119.077 119.077 119.760 -0.683 18220
9314 1 18 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.622 0.488 18220
9315 1 18 . 1 1 100 100 ILE C C 91 174.634 174.634 178.301 -3.667 18220
9316 1 18 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.335 -1.234 18220
9317 1 18 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.553 -0.410 18220
9318 1 18 . 1 1 100 100 ILE H H 91 7.662 7.662 8.131 -0.469 18220
9319 1 18 . 1 1 101 101 LEU N N 92 119.646 119.646 119.057 0.589 18220
9320 1 18 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.954 0.576 18220
9321 1 18 . 1 1 101 101 LEU C C 92 175.430 175.430 179.099 -3.669 18220
9322 1 18 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.430 -0.630 18220
9323 1 18 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.360 -0.602 18220
9324 1 18 . 1 1 101 101 LEU H H 92 8.142 8.142 8.387 -0.245 18220
9325 1 18 . 1 1 102 102 ARG N N 93 116.394 116.394 118.062 -1.668 18220
9326 1 18 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.081 0.059 18220
9327 1 18 . 1 1 102 102 ARG C C 93 175.961 175.961 178.417 -2.456 18220
9328 1 18 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.611 0.489 18220
9329 1 18 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.048 -0.644 18220
9330 1 18 . 1 1 102 102 ARG H H 93 7.893 7.893 8.243 -0.350 18220
9331 1 18 . 1 1 103 103 LEU N N 94 119.114 119.114 120.914 -1.800 18220
9332 1 18 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.060 0.050 18220
9333 1 18 . 1 1 103 103 LEU C C 94 175.889 175.889 178.282 -2.393 18220
9334 1 18 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.912 -0.612 18220
9335 1 18 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.915 -0.619 18220
9336 1 18 . 1 1 103 103 LEU H H 94 7.622 7.622 7.867 -0.245 18220
9337 1 18 . 1 1 104 104 VAL N N 95 117.704 117.704 117.506 0.198 18220
9338 1 18 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.740 -0.210 18220
9339 1 18 . 1 1 104 104 VAL C C 95 175.042 175.042 178.189 -3.147 18220
9340 1 18 . 1 1 104 104 VAL CA C 95 66.419 66.419 66.263 0.156 18220
9341 1 18 . 1 1 104 104 VAL CB C 95 31.357 31.357 32.056 -0.699 18220
9342 1 18 . 1 1 104 104 VAL H H 95 8.026 8.026 7.338 0.688 18220
9343 1 18 . 1 1 105 105 LEU N N 96 117.185 117.185 120.597 -3.412 18220
9344 1 18 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.013 -0.033 18220
9345 1 18 . 1 1 105 105 LEU C C 96 176.579 176.579 179.020 -2.441 18220
9346 1 18 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.676 -0.876 18220
9347 1 18 . 1 1 105 105 LEU CB C 96 40.951 40.951 40.703 0.248 18220
9348 1 18 . 1 1 105 105 LEU H H 96 7.893 7.893 8.068 -0.175 18220
9349 1 18 . 1 1 106 106 LEU N N 97 118.471 118.471 119.183 -0.712 18220
9350 1 18 . 1 1 106 106 LEU HA H 97 4.180 4.180 4.000 0.180 18220
9351 1 18 . 1 1 106 106 LEU C C 97 175.802 175.802 178.663 -2.861 18220
9352 1 18 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.512 -1.212 18220
9353 1 18 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.723 -0.131 18220
9354 1 18 . 1 1 106 106 LEU H H 97 7.545 7.545 8.035 -0.490 18220
9355 1 18 . 1 1 107 107 LEU N N 98 118.162 118.162 118.163 -0.001 18220
9356 1 18 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.159 0.071 18220
9357 1 18 . 1 1 107 107 LEU C C 98 174.174 174.174 177.954 -3.780 18220
9358 1 18 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.648 0.635 18220
9359 1 18 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.859 -0.497 18220
9360 1 18 . 1 1 107 107 LEU H H 98 7.688 7.688 8.095 -0.407 18220
9361 1 19 . 1 1 11 11 ASP N N 2 120.536 120.536 121.173 -0.637 18220
9362 1 19 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.643 1.275 18220
9363 1 19 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.614 -3.655 18220
9364 1 19 . 1 1 11 11 ASP H H 2 7.863 7.863 8.323 -0.460 18220
9365 1 19 . 1 1 12 12 LEU N N 3 121.414 121.414 122.423 -1.009 18220
9366 1 19 . 1 1 12 12 LEU C C 3 176.162 176.162 175.860 0.302 18220
9367 1 19 . 1 1 12 12 LEU CA C 3 57.600 57.600 54.523 3.077 18220
9368 1 19 . 1 1 12 12 LEU CB C 3 41.657 41.657 43.110 -1.453 18220
9369 1 19 . 1 1 12 12 LEU H H 3 8.285 8.285 7.707 0.578 18220
9370 1 19 . 1 1 13 13 ILE N N 4 118.854 118.854 123.034 -4.180 18220
9371 1 19 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.219 -0.479 18220
9372 1 19 . 1 1 13 13 ILE C C 4 175.228 175.228 176.420 -1.192 18220
9373 1 19 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.121 3.379 18220
9374 1 19 . 1 1 13 13 ILE CB C 4 37.102 37.102 41.291 -4.189 18220
9375 1 19 . 1 1 13 13 ILE H H 4 8.031 8.031 8.268 -0.237 18220
9376 1 19 . 1 1 14 14 GLY N N 5 107.478 107.478 113.931 -6.453 18220
9377 1 19 . 1 1 14 14 GLY C C 5 174.424 174.424 174.767 -0.343 18220
9378 1 19 . 1 1 14 14 GLY CA C 5 47.059 47.059 44.700 2.359 18220
9379 1 19 . 1 1 14 14 GLY H H 5 8.148 8.148 8.323 -0.175 18220
9380 1 19 . 1 1 15 15 PHE N N 6 122.774 122.774 120.675 2.099 18220
9381 1 19 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.450 0.030 18220
9382 1 19 . 1 1 15 15 PHE C C 6 175.113 175.113 177.448 -2.335 18220
9383 1 19 . 1 1 15 15 PHE CA C 6 60.017 60.017 60.137 -0.120 18220
9384 1 19 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.536 -0.762 18220
9385 1 19 . 1 1 15 15 PHE H H 6 8.194 8.194 8.618 -0.424 18220
9386 1 19 . 1 1 16 16 GLY N N 7 107.938 107.938 107.981 -0.043 18220
9387 1 19 . 1 1 16 16 GLY C C 7 171.838 171.838 175.860 -4.022 18220
9388 1 19 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.591 -0.491 18220
9389 1 19 . 1 1 16 16 GLY H H 7 8.697 8.697 8.596 0.101 18220
9390 1 19 . 1 1 17 17 TYR N N 8 121.785 121.785 123.340 -1.555 18220
9391 1 19 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.086 0.064 18220
9392 1 19 . 1 1 17 17 TYR C C 8 174.180 174.180 177.602 -3.422 18220
9393 1 19 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.214 1.086 18220
9394 1 19 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.175 -0.216 18220
9395 1 19 . 1 1 17 17 TYR H H 8 8.710 8.710 8.304 0.406 18220
9396 1 19 . 1 1 18 18 ALA N N 9 120.233 120.233 121.110 -0.877 18220
9397 1 19 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.864 0.086 18220
9398 1 19 . 1 1 18 18 ALA C C 9 178.059 178.059 178.807 -0.748 18220
9399 1 19 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.965 -0.093 18220
9400 1 19 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.671 -0.109 18220
9401 1 19 . 1 1 18 18 ALA H H 9 7.843 7.843 8.060 -0.217 18220
9402 1 19 . 1 1 19 19 ALA N N 10 121.797 121.797 120.944 0.853 18220
9403 1 19 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.111 -0.161 18220
9404 1 19 . 1 1 19 19 ALA C C 10 176.191 176.191 179.641 -3.450 18220
9405 1 19 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.674 -0.074 18220
9406 1 19 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.138 -0.576 18220
9407 1 19 . 1 1 19 19 ALA H H 10 8.212 8.212 7.834 0.378 18220
9408 1 19 . 1 1 20 20 LEU N N 11 119.442 119.442 120.432 -0.990 18220
9409 1 19 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.810 0.127 18220
9410 1 19 . 1 1 20 20 LEU C C 11 176.694 176.694 178.603 -1.909 18220
9411 1 19 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.889 -0.089 18220
9412 1 19 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.078 -0.856 18220
9413 1 19 . 1 1 20 20 LEU H H 11 8.065 8.065 7.858 0.207 18220
9414 1 19 . 1 1 21 21 VAL N N 12 118.323 118.323 119.489 -1.166 18220
9415 1 19 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.509 0.131 18220
9416 1 19 . 1 1 21 21 VAL C C 12 176.536 176.536 178.050 -1.514 18220
9417 1 19 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.697 -2.297 18220
9418 1 19 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.658 -0.523 18220
9419 1 19 . 1 1 21 21 VAL H H 12 8.051 8.051 8.415 -0.364 18220
9420 1 19 . 1 1 22 22 THR N N 13 118.298 118.298 116.191 2.107 18220
9421 1 19 . 1 1 22 22 THR HA H 13 4.660 4.660 3.947 0.713 18220
9422 1 19 . 1 1 22 22 THR C C 13 173.734 173.734 176.837 -3.103 18220
9423 1 19 . 1 1 22 22 THR CA C 13 66.300 66.300 66.549 -0.249 18220
9424 1 19 . 1 1 22 22 THR CB C 13 67.775 67.775 68.451 -0.675 18220
9425 1 19 . 1 1 22 22 THR H H 13 7.944 7.944 8.043 -0.099 18220
9426 1 19 . 1 1 23 23 PHE N N 14 121.328 121.328 120.823 0.505 18220
9427 1 19 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.183 0.157 18220
9428 1 19 . 1 1 23 23 PHE C C 14 174.783 174.783 178.093 -3.310 18220
9429 1 19 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.976 -1.476 18220
9430 1 19 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.586 0.040 18220
9431 1 19 . 1 1 23 23 PHE H H 14 8.567 8.567 8.395 0.172 18220
9432 1 19 . 1 1 24 24 GLY N N 15 106.871 106.871 106.417 0.454 18220
9433 1 19 . 1 1 24 24 GLY C C 15 172.858 172.858 176.231 -3.373 18220
9434 1 19 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.042 -0.142 18220
9435 1 19 . 1 1 24 24 GLY H H 15 8.475 8.475 8.351 0.124 18220
9436 1 19 . 1 1 25 25 SER N N 16 116.214 116.214 118.004 -1.790 18220
9437 1 19 . 1 1 25 25 SER HA H 16 4.280 4.280 4.152 0.128 18220
9438 1 19 . 1 1 25 25 SER CA C 16 60.300 60.300 61.837 -1.537 18220
9439 1 19 . 1 1 25 25 SER CB C 16 62.879 62.879 63.045 -0.166 18220
9440 1 19 . 1 1 25 25 SER H H 16 7.963 7.963 8.382 -0.419 18220
9441 1 19 . 1 1 26 26 ILE N N 17 121.024 121.024 121.574 -0.550 18220
9442 1 19 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.727 0.219 18220
9443 1 19 . 1 1 26 26 ILE C C 17 173.935 173.935 177.814 -3.879 18220
9444 1 19 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.674 -1.574 18220
9445 1 19 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.135 -0.028 18220
9446 1 19 . 1 1 26 26 ILE H H 17 7.676 7.676 8.302 -0.626 18220
9447 1 19 . 1 1 27 27 PHE N N 18 117.142 117.142 119.565 -2.423 18220
9448 1 19 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.219 0.211 18220
9449 1 19 . 1 1 27 27 PHE C C 18 173.504 173.504 177.306 -3.802 18220
9450 1 19 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.759 -2.259 18220
9451 1 19 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.140 -0.366 18220
9452 1 19 . 1 1 27 27 PHE H H 18 7.703 7.703 8.153 -0.450 18220
9453 1 19 . 1 1 28 28 GLY N N 19 107.303 107.303 104.172 3.131 18220
9454 1 19 . 1 1 28 28 GLY C C 19 171.593 171.593 173.960 -2.367 18220
9455 1 19 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.169 0.431 18220
9456 1 19 . 1 1 28 28 GLY H H 19 7.722 7.722 7.770 -0.048 18220
9457 1 19 . 1 1 29 29 TYR N N 20 119.862 119.862 119.498 0.364 18220
9458 1 19 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.126 0.266 18220
9459 1 19 . 1 1 29 29 TYR C C 20 173.174 173.174 173.948 -0.774 18220
9460 1 19 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.890 -0.390 18220
9461 1 19 . 1 1 29 29 TYR CB C 20 38.404 38.404 36.947 1.458 18220
9462 1 19 . 1 1 29 29 TYR H H 20 7.880 7.880 7.901 -0.021 18220
9463 1 19 . 1 1 30 30 LYS N N 21 122.335 122.335 127.832 -5.497 18220
9464 1 19 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.585 -0.195 18220
9465 1 19 . 1 1 30 30 LYS C C 21 173.547 173.547 177.085 -3.538 18220
9466 1 19 . 1 1 30 30 LYS CA C 21 55.800 55.800 55.300 0.500 18220
9467 1 19 . 1 1 30 30 LYS CB C 21 32.396 32.396 35.197 -2.801 18220
9468 1 19 . 1 1 30 30 LYS H H 21 7.934 7.934 8.030 -0.096 18220
9469 1 19 . 1 1 31 31 ARG N N 22 120.612 120.612 119.012 1.600 18220
9470 1 19 . 1 1 31 31 ARG C C 22 173.547 173.547 175.940 -2.393 18220
9471 1 19 . 1 1 31 31 ARG CA C 22 55.834 55.834 58.121 -2.287 18220
9472 1 19 . 1 1 31 31 ARG CB C 22 30.101 30.101 29.762 0.339 18220
9473 1 19 . 1 1 31 31 ARG H H 22 7.905 7.905 8.718 -0.813 18220
9474 1 19 . 1 1 32 32 ARG N N 23 121.748 121.748 117.392 4.356 18220
9475 1 19 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.451 -0.141 18220
9476 1 19 . 1 1 32 32 ARG C C 23 173.863 173.863 175.567 -1.704 18220
9477 1 19 . 1 1 32 32 ARG CA C 23 55.800 55.800 55.769 0.031 18220
9478 1 19 . 1 1 32 32 ARG CB C 23 30.245 30.245 31.664 -1.419 18220
9479 1 19 . 1 1 32 32 ARG H H 23 8.175 8.175 8.211 -0.036 18220
9480 1 19 . 1 1 33 33 GLY N N 24 109.528 109.528 108.418 1.110 18220
9481 1 19 . 1 1 33 33 GLY C C 24 171.752 171.752 174.229 -2.477 18220
9482 1 19 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.944 -0.044 18220
9483 1 19 . 1 1 33 33 GLY H H 24 8.264 8.264 8.527 -0.263 18220
9484 1 19 . 1 1 34 34 GLY N N 25 108.563 108.563 109.787 -1.224 18220
9485 1 19 . 1 1 34 34 GLY C C 25 171.701 171.701 174.087 -2.386 18220
9486 1 19 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.296 0.304 18220
9487 1 19 . 1 1 34 34 GLY H H 25 8.208 8.208 7.958 0.249 18220
9488 1 19 . 1 1 35 35 VAL N N 26 121.164 121.164 115.266 5.898 18220
9489 1 19 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.839 0.171 18220
9490 1 19 . 1 1 35 35 VAL C C 26 175.888 175.888 173.840 2.048 18220
9491 1 19 . 1 1 35 35 VAL CA C 26 63.900 63.900 61.920 1.980 18220
9492 1 19 . 1 1 35 35 VAL CB C 26 30.690 30.690 30.906 -0.216 18220
9493 1 19 . 1 1 35 35 VAL H H 26 8.485 8.485 8.117 0.368 18220
9494 1 19 . 1 1 36 36 PRO C C 27 177.660 177.660 178.145 -0.485 18220
9495 1 19 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.955 -1.108 18220
9496 1 19 . 1 1 37 37 SER N N 28 116.023 116.023 114.502 1.521 18220
9497 1 19 . 1 1 37 37 SER HA H 28 4.280 4.280 4.044 0.236 18220
9498 1 19 . 1 1 37 37 SER CA C 28 61.100 61.100 60.493 0.607 18220
9499 1 19 . 1 1 37 37 SER H H 28 7.948 7.948 8.564 -0.616 18220
9500 1 19 . 1 1 38 38 LEU N N 29 124.029 124.029 122.374 1.655 18220
9501 1 19 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.990 0.180 18220
9502 1 19 . 1 1 38 38 LEU C C 29 176.132 176.132 178.422 -2.290 18220
9503 1 19 . 1 1 38 38 LEU CA C 29 57.500 57.500 57.910 -0.409 18220
9504 1 19 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.772 0.266 18220
9505 1 19 . 1 1 38 38 LEU H H 29 8.201 8.201 8.257 -0.056 18220
9506 1 19 . 1 1 39 39 ILE N N 30 117.098 117.098 117.957 -0.859 18220
9507 1 19 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.627 0.743 18220
9508 1 19 . 1 1 39 39 ILE C C 30 176.478 176.478 177.732 -1.254 18220
9509 1 19 . 1 1 39 39 ILE CA C 30 63.079 63.079 65.447 -2.368 18220
9510 1 19 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.221 -0.248 18220
9511 1 19 . 1 1 39 39 ILE H H 30 7.662 7.662 7.487 0.175 18220
9512 1 19 . 1 1 40 40 ALA N N 31 122.447 122.447 121.702 0.745 18220
9513 1 19 . 1 1 40 40 ALA HA H 31 4.034 4.034 3.942 0.092 18220
9514 1 19 . 1 1 40 40 ALA C C 31 177.067 177.067 179.714 -2.647 18220
9515 1 19 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.160 0.802 18220
9516 1 19 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.711 0.145 18220
9517 1 19 . 1 1 40 40 ALA H H 31 8.096 8.096 7.976 0.120 18220
9518 1 19 . 1 1 41 41 GLY N N 32 104.056 104.056 106.707 -2.651 18220
9519 1 19 . 1 1 41 41 GLY C C 32 174.251 174.251 176.450 -2.199 18220
9520 1 19 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.783 -0.283 18220
9521 1 19 . 1 1 41 41 GLY H H 32 8.123 8.123 8.127 -0.004 18220
9522 1 19 . 1 1 42 42 LEU N N 33 123.250 123.250 122.674 0.576 18220
9523 1 19 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.181 -0.324 18220
9524 1 19 . 1 1 42 42 LEU C C 33 176.033 176.033 178.829 -2.796 18220
9525 1 19 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.256 -0.588 18220
9526 1 19 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.201 -0.480 18220
9527 1 19 . 1 1 42 42 LEU H H 33 7.914 7.914 8.144 -0.230 18220
9528 1 19 . 1 1 43 43 PHE N N 34 119.757 119.757 120.104 -0.347 18220
9529 1 19 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.095 0.105 18220
9530 1 19 . 1 1 43 43 PHE C C 34 174.374 174.374 178.026 -3.652 18220
9531 1 19 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.751 -2.875 18220
9532 1 19 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.649 0.185 18220
9533 1 19 . 1 1 43 43 PHE H H 34 8.287 8.287 8.485 -0.198 18220
9534 1 19 . 1 1 44 44 VAL N N 35 117.791 117.791 118.071 -0.280 18220
9535 1 19 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.710 -0.100 18220
9536 1 19 . 1 1 44 44 VAL C C 35 176.205 176.205 178.420 -2.215 18220
9537 1 19 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.697 -2.138 18220
9538 1 19 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.814 0.618 18220
9539 1 19 . 1 1 44 44 VAL H H 35 8.235 8.235 8.495 -0.260 18220
9540 1 19 . 1 1 45 45 GLY N N 36 108.551 108.551 107.618 0.933 18220
9541 1 19 . 1 1 45 45 GLY C C 36 173.749 173.749 175.851 -2.102 18220
9542 1 19 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.529 -1.446 18220
9543 1 19 . 1 1 45 45 GLY H H 36 8.178 8.178 8.257 -0.079 18220
9544 1 19 . 1 1 46 46 CYS N N 37 121.173 121.173 120.319 0.854 18220
9545 1 19 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.008 0.172 18220
9546 1 19 . 1 1 46 46 CYS C C 37 173.710 173.710 176.999 -3.289 18220
9547 1 19 . 1 1 46 46 CYS CA C 37 63.000 63.000 62.658 0.342 18220
9548 1 19 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.367 32.916 18220
9549 1 19 . 1 1 46 46 CYS H H 37 8.253 8.253 8.183 0.070 18220
9550 1 19 . 1 1 47 47 LEU N N 38 120.283 120.283 121.816 -1.533 18220
9551 1 19 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.821 0.239 18220
9552 1 19 . 1 1 47 47 LEU C C 38 176.679 176.679 178.545 -1.866 18220
9553 1 19 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.388 -2.361 18220
9554 1 19 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.783 -0.319 18220
9555 1 19 . 1 1 47 47 LEU H H 38 7.965 7.965 7.843 0.122 18220
9556 1 19 . 1 1 48 48 ALA N N 39 122.249 122.249 120.864 1.385 18220
9557 1 19 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.067 0.075 18220
9558 1 19 . 1 1 48 48 ALA C C 39 177.915 177.915 179.722 -1.807 18220
9559 1 19 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.150 -1.433 18220
9560 1 19 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.160 -0.175 18220
9561 1 19 . 1 1 48 48 ALA H H 39 8.066 8.066 8.221 -0.155 18220
9562 1 19 . 1 1 49 49 GLY N N 40 107.377 107.377 107.667 -0.290 18220
9563 1 19 . 1 1 49 49 GLY C C 40 172.527 172.527 175.753 -3.226 18220
9564 1 19 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.278 -1.828 18220
9565 1 19 . 1 1 49 49 GLY H H 40 8.172 8.172 8.265 -0.093 18220
9566 1 19 . 1 1 50 50 TYR N N 41 122.409 122.409 124.584 -2.175 18220
9567 1 19 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.052 -0.253 18220
9568 1 19 . 1 1 50 50 TYR C C 41 174.208 174.208 178.022 -3.814 18220
9569 1 19 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.281 -2.036 18220
9570 1 19 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.093 -0.157 18220
9571 1 19 . 1 1 50 50 TYR H H 41 7.800 7.800 8.101 -0.301 18220
9572 1 19 . 1 1 51 51 GLY N N 42 106.935 106.935 105.977 0.958 18220
9573 1 19 . 1 1 51 51 GLY C C 42 172.642 172.642 175.687 -3.045 18220
9574 1 19 . 1 1 51 51 GLY CA C 42 46.265 46.265 47.077 -0.812 18220
9575 1 19 . 1 1 51 51 GLY H H 42 8.199 8.199 8.383 -0.184 18220
9576 1 19 . 1 1 52 52 ALA N N 43 123.018 123.018 126.096 -3.078 18220
9577 1 19 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.475 -0.325 18220
9578 1 19 . 1 1 52 52 ALA C C 43 176.398 176.398 179.782 -3.384 18220
9579 1 19 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.457 -1.574 18220
9580 1 19 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.478 -0.237 18220
9581 1 19 . 1 1 52 52 ALA H H 43 7.758 7.758 8.331 -0.573 18220
9582 1 19 . 1 1 53 53 TYR N N 44 119.664 119.664 118.423 1.241 18220
9583 1 19 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.286 0.032 18220
9584 1 19 . 1 1 53 53 TYR C C 44 174.180 174.180 177.020 -2.840 18220
9585 1 19 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.688 -2.095 18220
9586 1 19 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.554 -0.362 18220
9587 1 19 . 1 1 53 53 TYR H H 44 7.920 7.920 7.987 -0.067 18220
9588 1 19 . 1 1 54 54 ARG N N 45 119.516 119.516 118.563 0.953 18220
9589 1 19 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.137 -0.207 18220
9590 1 19 . 1 1 54 54 ARG C C 45 174.423 174.423 175.478 -1.055 18220
9591 1 19 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.439 -1.412 18220
9592 1 19 . 1 1 54 54 ARG CB C 45 30.173 30.173 32.291 -2.118 18220
9593 1 19 . 1 1 54 54 ARG H H 45 7.956 7.956 7.832 0.124 18220
9594 1 19 . 1 1 55 55 VAL N N 46 116.437 116.437 114.933 1.504 18220
9595 1 19 . 1 1 55 55 VAL HA H 46 4.060 4.060 4.249 -0.189 18220
9596 1 19 . 1 1 55 55 VAL C C 46 173.806 173.806 173.928 -0.122 18220
9597 1 19 . 1 1 55 55 VAL CA C 46 62.300 62.300 62.272 0.028 18220
9598 1 19 . 1 1 55 55 VAL CB C 46 31.521 31.521 34.027 -2.506 18220
9599 1 19 . 1 1 55 55 VAL H H 46 7.489 7.489 8.387 -0.898 18220
9600 1 19 . 1 1 56 56 SER N N 47 117.185 117.185 117.404 -0.219 18220
9601 1 19 . 1 1 56 56 SER HA H 47 4.401 4.401 4.146 0.255 18220
9602 1 19 . 1 1 56 56 SER C C 47 172.074 172.074 173.412 -1.338 18220
9603 1 19 . 1 1 56 56 SER CA C 47 58.133 58.133 59.013 -0.880 18220
9604 1 19 . 1 1 56 56 SER CB C 47 63.468 63.468 62.992 0.476 18220
9605 1 19 . 1 1 56 56 SER H H 47 7.728 7.728 8.657 -0.929 18220
9606 1 19 . 1 1 57 57 ASN N N 48 121.049 121.049 120.026 1.023 18220
9607 1 19 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.369 0.221 18220
9608 1 19 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.842 -0.242 18220
9609 1 19 . 1 1 57 57 ASN CB C 48 38.641 38.641 37.417 1.224 18220
9610 1 19 . 1 1 57 57 ASN H H 48 8.228 8.228 8.582 -0.354 18220
9611 1 19 . 1 1 58 58 ASP N N 49 120.276 120.276 117.355 2.921 18220
9612 1 19 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.109 0.421 18220
9613 1 19 . 1 1 58 58 ASP CA C 49 54.202 54.202 56.044 -1.842 18220
9614 1 19 . 1 1 58 58 ASP CB C 49 40.374 40.374 39.659 0.715 18220
9615 1 19 . 1 1 58 58 ASP H H 49 8.192 8.192 8.600 -0.408 18220
9616 1 19 . 1 1 59 59 LYS N N 50 120.660 120.660 118.766 1.894 18220
9617 1 19 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.885 0.315 18220
9618 1 19 . 1 1 59 59 LYS C C 50 173.474 173.474 175.167 -1.693 18220
9619 1 19 . 1 1 59 59 LYS CA C 50 56.300 56.300 57.319 -1.019 18220
9620 1 19 . 1 1 59 59 LYS CB C 50 32.034 32.034 31.530 0.504 18220
9621 1 19 . 1 1 59 59 LYS H H 50 8.003 8.003 8.248 -0.245 18220
9622 1 19 . 1 1 60 60 ARG N N 51 121.278 121.278 119.660 1.618 18220
9623 1 19 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.478 -0.278 18220
9624 1 19 . 1 1 60 60 ARG C C 51 173.303 173.303 173.841 -0.538 18220
9625 1 19 . 1 1 60 60 ARG CA C 51 56.283 56.283 55.580 0.703 18220
9626 1 19 . 1 1 60 60 ARG CB C 51 30.238 30.238 32.664 -2.426 18220
9627 1 19 . 1 1 60 60 ARG H H 51 8.091 8.091 8.039 0.052 18220
9628 1 19 . 1 1 61 61 ASP N N 52 121.185 121.185 124.808 -3.623 18220
9629 1 19 . 1 1 61 61 ASP HA H 52 4.615 4.615 5.033 -0.418 18220
9630 1 19 . 1 1 61 61 ASP C C 52 173.777 173.777 174.829 -1.052 18220
9631 1 19 . 1 1 61 61 ASP CA C 52 53.979 53.979 53.807 0.172 18220
9632 1 19 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.240 -0.995 18220
9633 1 19 . 1 1 61 61 ASP H H 52 8.261 8.261 8.751 -0.490 18220
9634 1 19 . 1 1 62 62 VAL N N 53 121.902 121.902 118.884 3.018 18220
9635 1 19 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.160 -0.210 18220
9636 1 19 . 1 1 62 62 VAL C C 53 173.279 173.279 175.304 -2.025 18220
9637 1 19 . 1 1 62 62 VAL CA C 53 63.176 63.176 64.555 -1.379 18220
9638 1 19 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.635 -0.536 18220
9639 1 19 . 1 1 62 62 VAL H H 53 7.997 7.997 7.760 0.237 18220
9640 1 19 . 1 1 63 63 LYS N N 54 123.522 123.522 120.739 2.783 18220
9641 1 19 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.364 -0.104 18220
9642 1 19 . 1 1 63 63 LYS C C 54 174.481 174.481 178.294 -3.813 18220
9643 1 19 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.312 -2.965 18220
9644 1 19 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.586 -0.487 18220
9645 1 19 . 1 1 63 63 LYS H H 54 8.054 8.054 8.292 -0.238 18220
9646 1 19 . 1 1 64 64 VAL N N 55 120.647 120.647 118.519 2.128 18220
9647 1 19 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.873 0.074 18220
9648 1 19 . 1 1 64 64 VAL C C 55 174.955 174.955 177.838 -2.883 18220
9649 1 19 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.559 -0.960 18220
9650 1 19 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.626 1.251 18220
9651 1 19 . 1 1 64 64 VAL H H 55 8.225 8.225 8.198 0.027 18220
9652 1 19 . 1 1 65 65 SER N N 56 117.785 117.785 115.479 2.306 18220
9653 1 19 . 1 1 65 65 SER HA H 56 4.390 4.390 4.143 0.247 18220
9654 1 19 . 1 1 65 65 SER C C 56 172.300 172.300 176.929 -4.629 18220
9655 1 19 . 1 1 65 65 SER CA C 56 60.000 60.000 62.075 -2.075 18220
9656 1 19 . 1 1 65 65 SER CB C 56 62.879 62.879 62.556 0.323 18220
9657 1 19 . 1 1 65 65 SER H H 56 8.260 8.260 8.295 -0.035 18220
9658 1 19 . 1 1 66 66 LEU N N 57 123.318 123.318 122.231 1.087 18220
9659 1 19 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.018 0.072 18220
9660 1 19 . 1 1 66 66 LEU C C 57 175.932 175.932 178.811 -2.879 18220
9661 1 19 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.712 -0.210 18220
9662 1 19 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.892 -0.172 18220
9663 1 19 . 1 1 66 66 LEU H H 57 8.091 8.091 7.865 0.226 18220
9664 1 19 . 1 1 67 67 PHE N N 58 118.020 118.020 118.396 -0.376 18220
9665 1 19 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.262 0.068 18220
9666 1 19 . 1 1 67 67 PHE C C 58 174.912 174.912 178.149 -3.237 18220
9667 1 19 . 1 1 67 67 PHE CA C 58 60.600 60.600 62.082 -1.482 18220
9668 1 19 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.841 -0.289 18220
9669 1 19 . 1 1 67 67 PHE H H 58 8.066 8.066 8.479 -0.413 18220
9670 1 19 . 1 1 68 68 THR N N 59 115.324 115.324 117.408 -2.084 18220
9671 1 19 . 1 1 68 68 THR HA H 59 4.310 4.310 4.178 0.132 18220
9672 1 19 . 1 1 68 68 THR C C 59 173.380 173.380 176.394 -3.014 18220
9673 1 19 . 1 1 68 68 THR CA C 59 66.313 66.313 67.686 -1.373 18220
9674 1 19 . 1 1 68 68 THR CB C 59 67.700 67.700 68.937 -1.237 18220
9675 1 19 . 1 1 68 68 THR H H 59 8.287 8.287 8.412 -0.125 18220
9676 1 19 . 1 1 69 69 ALA N N 60 123.621 123.621 124.553 -0.932 18220
9677 1 19 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.155 0.125 18220
9678 1 19 . 1 1 69 69 ALA C C 60 176.978 176.978 179.163 -2.185 18220
9679 1 19 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.180 -0.080 18220
9680 1 19 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.081 -0.353 18220
9681 1 19 . 1 1 69 69 ALA H H 60 7.983 7.983 8.268 -0.285 18220
9682 1 19 . 1 1 70 70 PHE N N 61 118.520 118.520 119.761 -1.241 18220
9683 1 19 . 1 1 70 70 PHE HA H 61 4.260 4.260 3.973 0.287 18220
9684 1 19 . 1 1 70 70 PHE C C 61 175.369 175.369 176.996 -1.627 18220
9685 1 19 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.359 -2.180 18220
9686 1 19 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.143 -0.437 18220
9687 1 19 . 1 1 70 70 PHE H H 61 8.007 8.007 8.298 -0.291 18220
9688 1 19 . 1 1 71 71 PHE N N 62 122.314 122.314 118.537 3.777 18220
9689 1 19 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.429 -0.429 18220
9690 1 19 . 1 1 71 71 PHE C C 62 174.697 174.697 178.421 -3.724 18220
9691 1 19 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.280 -0.763 18220
9692 1 19 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.909 -0.139 18220
9693 1 19 . 1 1 71 71 PHE H H 62 8.546 8.546 8.437 0.109 18220
9694 1 19 . 1 1 72 72 LEU N N 63 119.399 119.399 120.971 -1.572 18220
9695 1 19 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.944 -0.074 18220
9696 1 19 . 1 1 72 72 LEU C C 63 175.774 175.774 178.928 -3.154 18220
9697 1 19 . 1 1 72 72 LEU CA C 63 56.925 56.925 57.900 -0.975 18220
9698 1 19 . 1 1 72 72 LEU CB C 63 41.207 41.207 40.886 0.321 18220
9699 1 19 . 1 1 72 72 LEU H H 63 8.396 8.396 8.304 0.092 18220
9700 1 19 . 1 1 73 73 ALA N N 64 120.221 120.221 120.498 -0.277 18220
9701 1 19 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.795 0.165 18220
9702 1 19 . 1 1 73 73 ALA C C 64 177.267 177.267 179.332 -2.065 18220
9703 1 19 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.471 -0.871 18220
9704 1 19 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.141 -0.357 18220
9705 1 19 . 1 1 73 73 ALA H H 64 8.025 8.025 8.282 -0.257 18220
9706 1 19 . 1 1 74 74 THR N N 65 113.648 113.648 111.338 2.310 18220
9707 1 19 . 1 1 74 74 THR HA H 65 3.980 3.980 3.874 0.106 18220
9708 1 19 . 1 1 74 74 THR CA C 65 66.291 66.291 65.609 0.682 18220
9709 1 19 . 1 1 74 74 THR CB C 65 67.914 67.914 68.675 -0.761 18220
9710 1 19 . 1 1 74 74 THR H H 65 7.717 7.717 7.980 -0.263 18220
9711 1 19 . 1 1 75 75 ILE N N 66 120.291 120.291 120.253 0.038 18220
9712 1 19 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.891 -0.151 18220
9713 1 19 . 1 1 75 75 ILE C C 66 174.951 174.951 177.122 -2.171 18220
9714 1 19 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.595 1.285 18220
9715 1 19 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.291 -1.125 18220
9716 1 19 . 1 1 75 75 ILE H H 66 7.738 7.738 7.899 -0.161 18220
9717 1 19 . 1 1 76 76 MET N N 67 117.618 117.618 118.409 -0.791 18220
9718 1 19 . 1 1 76 76 MET HA H 67 4.220 4.220 4.479 -0.259 18220
9719 1 19 . 1 1 76 76 MET C C 67 175.142 175.142 177.009 -1.867 18220
9720 1 19 . 1 1 76 76 MET CA C 67 56.723 56.723 56.724 -0.001 18220
9721 1 19 . 1 1 76 76 MET CB C 67 31.951 31.951 34.678 -2.727 18220
9722 1 19 . 1 1 76 76 MET H H 67 7.823 7.823 8.124 -0.301 18220
9723 1 19 . 1 1 77 77 GLY N N 68 107.110 107.110 107.069 0.041 18220
9724 1 19 . 1 1 77 77 GLY C C 68 172.260 172.260 173.175 -0.915 18220
9725 1 19 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.494 1.306 18220
9726 1 19 . 1 1 77 77 GLY H H 68 7.937 7.937 8.570 -0.633 18220
9727 1 19 . 1 1 78 78 VAL N N 69 120.431 120.431 120.883 -0.452 18220
9728 1 19 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.310 -0.090 18220
9729 1 19 . 1 1 78 78 VAL CA C 69 63.900 63.900 61.129 2.771 18220
9730 1 19 . 1 1 78 78 VAL CB C 69 31.506 31.506 32.267 -0.761 18220
9731 1 19 . 1 1 78 78 VAL H H 69 7.697 7.697 7.416 0.281 18220
9732 1 19 . 1 1 79 79 ARG N N 70 121.420 121.420 129.673 -8.253 18220
9733 1 19 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.330 -0.520 18220
9734 1 19 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.223 1.177 18220
9735 1 19 . 1 1 79 79 ARG CB C 70 30.097 30.097 28.975 1.122 18220
9736 1 19 . 1 1 79 79 ARG H H 70 7.889 7.889 8.676 -0.787 18220
9737 1 19 . 1 1 80 80 PHE N N 71 119.949 119.949 122.555 -2.606 18220
9738 1 19 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.146 0.364 18220
9739 1 19 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.802 -0.202 18220
9740 1 19 . 1 1 80 80 PHE CB C 71 39.145 39.145 38.238 0.907 18220
9741 1 19 . 1 1 80 80 PHE H H 71 8.101 8.101 7.834 0.267 18220
9742 1 19 . 1 1 81 81 LYS N N 72 122.193 122.193 121.999 0.194 18220
9743 1 19 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.986 -0.187 18220
9744 1 19 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.043 -0.721 18220
9745 1 19 . 1 1 81 81 LYS H H 72 8.090 8.090 8.110 -0.020 18220
9746 1 19 . 1 1 82 82 ARG N N 73 119.650 119.650 123.209 -3.559 18220
9747 1 19 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.938 -0.849 18220
9748 1 19 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.127 -0.956 18220
9749 1 19 . 1 1 82 82 ARG H H 73 8.052 8.052 8.657 -0.605 18220
9750 1 19 . 1 1 83 83 SER N N 74 115.734 115.734 115.373 0.361 18220
9751 1 19 . 1 1 83 83 SER CA C 74 58.355 58.355 57.306 1.049 18220
9752 1 19 . 1 1 83 83 SER CB C 74 63.404 63.404 64.076 -0.672 18220
9753 1 19 . 1 1 83 83 SER H H 74 7.912 7.912 7.890 0.022 18220
9754 1 19 . 1 1 84 84 LYS N N 75 122.370 122.370 123.513 -1.143 18220
9755 1 19 . 1 1 84 84 LYS CA C 75 56.135 56.135 58.512 -2.377 18220
9756 1 19 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.791 -0.616 18220
9757 1 19 . 1 1 84 84 LYS H H 75 8.067 8.067 8.645 -0.578 18220
9758 1 19 . 1 1 86 86 ILE N N 77 119.592 119.592 119.351 0.241 18220
9759 1 19 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.933 -0.123 18220
9760 1 19 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.411 2.489 18220
9761 1 19 . 1 1 86 86 ILE CB C 77 39.145 39.145 37.062 2.083 18220
9762 1 19 . 1 1 86 86 ILE H H 77 7.837 7.837 8.740 -0.903 18220
9763 1 19 . 1 1 87 87 MET N N 78 121.645 121.645 117.456 4.189 18220
9764 1 19 . 1 1 87 87 MET CA C 78 52.982 52.982 56.769 -3.787 18220
9765 1 19 . 1 1 87 87 MET CB C 78 32.173 32.173 32.052 0.121 18220
9766 1 19 . 1 1 87 87 MET H H 78 7.950 7.950 8.020 -0.070 18220
9767 1 19 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.502 -0.362 18220
9768 1 19 . 1 1 88 88 PRO C C 79 173.921 173.921 177.892 -3.971 18220
9769 1 19 . 1 1 88 88 PRO CA C 79 62.800 62.800 65.019 -2.219 18220
9770 1 19 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.366 -0.230 18220
9771 1 19 . 1 1 89 89 ALA N N 80 124.431 124.431 122.410 2.021 18220
9772 1 19 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.068 0.332 18220
9773 1 19 . 1 1 89 89 ALA C C 80 176.234 176.234 179.917 -3.683 18220
9774 1 19 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.858 -1.558 18220
9775 1 19 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.927 0.571 18220
9776 1 19 . 1 1 89 89 ALA H H 80 8.320 8.320 8.344 -0.024 18220
9777 1 19 . 1 1 90 90 GLY N N 81 106.834 106.834 107.482 -0.648 18220
9778 1 19 . 1 1 90 90 GLY C C 81 172.398 172.398 176.543 -4.145 18220
9779 1 19 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.163 -1.563 18220
9780 1 19 . 1 1 90 90 GLY H H 81 8.458 8.458 8.548 -0.090 18220
9781 1 19 . 1 1 91 91 LEU N N 82 121.043 121.043 122.078 -1.035 18220
9782 1 19 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.941 0.259 18220
9783 1 19 . 1 1 91 91 LEU C C 82 174.783 174.783 178.975 -4.192 18220
9784 1 19 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.127 -1.827 18220
9785 1 19 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.669 0.437 18220
9786 1 19 . 1 1 91 91 LEU H H 82 7.687 7.687 7.840 -0.153 18220
9787 1 19 . 1 1 92 92 VAL N N 83 114.737 114.737 118.798 -4.061 18220
9788 1 19 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.575 0.405 18220
9789 1 19 . 1 1 92 92 VAL C C 83 173.634 173.634 177.836 -4.202 18220
9790 1 19 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.357 -3.957 18220
9791 1 19 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.957 0.628 18220
9792 1 19 . 1 1 92 92 VAL H H 83 7.602 7.602 7.555 0.047 18220
9793 1 19 . 1 1 93 93 ALA N N 84 124.320 124.320 121.549 2.771 18220
9794 1 19 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.157 -0.007 18220
9795 1 19 . 1 1 93 93 ALA C C 84 175.746 175.746 179.899 -4.153 18220
9796 1 19 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.169 -1.869 18220
9797 1 19 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.946 0.295 18220
9798 1 19 . 1 1 93 93 ALA H H 84 7.891 7.891 8.408 -0.517 18220
9799 1 19 . 1 1 94 94 GLY N N 85 106.807 106.807 108.549 -1.742 18220
9800 1 19 . 1 1 94 94 GLY C C 85 171.752 171.752 175.608 -3.856 18220
9801 1 19 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.809 -1.560 18220
9802 1 19 . 1 1 94 94 GLY H H 85 8.204 8.204 8.085 0.119 18220
9803 1 19 . 1 1 95 95 LEU N N 86 121.266 121.266 122.125 -0.859 18220
9804 1 19 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.021 0.359 18220
9805 1 19 . 1 1 95 95 LEU C C 86 173.702 173.702 178.755 -5.053 18220
9806 1 19 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.878 -2.878 18220
9807 1 19 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.728 0.570 18220
9808 1 19 . 1 1 95 95 LEU H H 86 7.718 7.718 8.167 -0.449 18220
9809 1 19 . 1 1 96 96 SER N N 87 115.658 115.658 114.782 0.876 18220
9810 1 19 . 1 1 96 96 SER HA H 87 4.370 4.370 4.158 0.212 18220
9811 1 19 . 1 1 96 96 SER C C 87 172.479 172.479 176.839 -4.360 18220
9812 1 19 . 1 1 96 96 SER CA C 87 57.200 57.200 61.717 -4.517 18220
9813 1 19 . 1 1 96 96 SER CB C 87 64.174 64.174 62.671 1.503 18220
9814 1 19 . 1 1 96 96 SER H H 87 7.659 7.659 8.027 -0.368 18220
9815 1 19 . 1 1 97 97 LEU N N 88 123.720 123.720 122.685 1.035 18220
9816 1 19 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.904 0.696 18220
9817 1 19 . 1 1 97 97 LEU C C 88 175.932 175.932 178.980 -3.048 18220
9818 1 19 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.399 -0.799 18220
9819 1 19 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.880 -0.480 18220
9820 1 19 . 1 1 97 97 LEU H H 88 8.733 8.733 8.225 0.508 18220
9821 1 19 . 1 1 98 98 MET N N 89 116.684 116.684 116.932 -0.248 18220
9822 1 19 . 1 1 98 98 MET HA H 89 4.280 4.280 3.917 0.363 18220
9823 1 19 . 1 1 98 98 MET C C 89 175.789 175.789 178.608 -2.819 18220
9824 1 19 . 1 1 98 98 MET CA C 89 56.915 56.915 58.449 -1.534 18220
9825 1 19 . 1 1 98 98 MET CB C 89 31.007 31.007 31.808 -0.801 18220
9826 1 19 . 1 1 98 98 MET H H 89 8.342 8.342 8.208 0.134 18220
9827 1 19 . 1 1 99 99 MET N N 90 119.182 119.182 119.772 -0.590 18220
9828 1 19 . 1 1 99 99 MET HA H 90 4.110 4.110 4.012 0.098 18220
9829 1 19 . 1 1 99 99 MET C C 90 175.588 175.588 178.657 -3.069 18220
9830 1 19 . 1 1 99 99 MET CA C 90 57.951 57.951 59.409 -1.458 18220
9831 1 19 . 1 1 99 99 MET CB C 90 32.226 32.226 32.501 -0.275 18220
9832 1 19 . 1 1 99 99 MET H H 90 7.720 7.720 7.988 -0.268 18220
9833 1 19 . 1 1 100 100 ILE N N 91 119.077 119.077 119.565 -0.488 18220
9834 1 19 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.596 0.514 18220
9835 1 19 . 1 1 100 100 ILE C C 91 174.634 174.634 178.107 -3.473 18220
9836 1 19 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.185 -1.085 18220
9837 1 19 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.627 -0.484 18220
9838 1 19 . 1 1 100 100 ILE H H 91 7.662 7.662 8.181 -0.519 18220
9839 1 19 . 1 1 101 101 LEU N N 92 119.646 119.646 118.338 1.308 18220
9840 1 19 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.991 0.539 18220
9841 1 19 . 1 1 101 101 LEU C C 92 175.430 175.430 178.943 -3.513 18220
9842 1 19 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.440 -0.640 18220
9843 1 19 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.466 -0.708 18220
9844 1 19 . 1 1 101 101 LEU H H 92 8.142 8.142 8.263 -0.121 18220
9845 1 19 . 1 1 102 102 ARG N N 93 116.394 116.394 118.497 -2.103 18220
9846 1 19 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.159 -0.019 18220
9847 1 19 . 1 1 102 102 ARG C C 93 175.961 175.961 178.663 -2.702 18220
9848 1 19 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.111 0.988 18220
9849 1 19 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.893 -0.489 18220
9850 1 19 . 1 1 102 102 ARG H H 93 7.893 7.893 7.843 0.050 18220
9851 1 19 . 1 1 103 103 LEU N N 94 119.114 119.114 120.006 -0.892 18220
9852 1 19 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.088 0.022 18220
9853 1 19 . 1 1 103 103 LEU C C 94 175.889 175.889 179.020 -3.131 18220
9854 1 19 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.076 -0.776 18220
9855 1 19 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.805 -0.509 18220
9856 1 19 . 1 1 103 103 LEU H H 94 7.622 7.622 8.214 -0.592 18220
9857 1 19 . 1 1 104 104 VAL N N 95 117.704 117.704 115.773 1.931 18220
9858 1 19 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.904 -0.374 18220
9859 1 19 . 1 1 104 104 VAL C C 95 175.042 175.042 177.212 -2.170 18220
9860 1 19 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.388 1.031 18220
9861 1 19 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.313 0.044 18220
9862 1 19 . 1 1 104 104 VAL H H 95 8.026 8.026 7.612 0.414 18220
9863 1 19 . 1 1 105 105 LEU N N 96 117.185 117.185 121.098 -3.913 18220
9864 1 19 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.012 -0.032 18220
9865 1 19 . 1 1 105 105 LEU C C 96 176.579 176.579 178.678 -2.099 18220
9866 1 19 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.736 -0.936 18220
9867 1 19 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.050 -0.099 18220
9868 1 19 . 1 1 105 105 LEU H H 96 7.893 7.893 7.384 0.509 18220
9869 1 19 . 1 1 106 106 LEU N N 97 118.471 118.471 120.142 -1.671 18220
9870 1 19 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.894 0.286 18220
9871 1 19 . 1 1 106 106 LEU C C 97 175.802 175.802 178.911 -3.109 18220
9872 1 19 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.328 -1.028 18220
9873 1 19 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.601 -0.009 18220
9874 1 19 . 1 1 106 106 LEU H H 97 7.545 7.545 7.683 -0.138 18220
9875 1 19 . 1 1 107 107 LEU N N 98 118.162 118.162 119.303 -1.141 18220
9876 1 19 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.083 0.147 18220
9877 1 19 . 1 1 107 107 LEU C C 98 174.174 174.174 177.862 -3.688 18220
9878 1 19 . 1 1 107 107 LEU CA C 98 56.283 56.283 57.144 -0.861 18220
9879 1 19 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.140 0.222 18220
9880 1 19 . 1 1 107 107 LEU H H 98 7.688 7.688 7.439 0.249 18220
9881 1 20 . 1 1 11 11 ASP N N 2 120.536 120.536 123.114 -2.578 18220
9882 1 20 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.876 2.042 18220
9883 1 20 . 1 1 11 11 ASP CB C 2 37.959 37.959 40.548 -2.589 18220
9884 1 20 . 1 1 11 11 ASP H H 2 7.863 7.863 8.381 -0.518 18220
9885 1 20 . 1 1 12 12 LEU N N 3 121.414 121.414 122.948 -1.534 18220
9886 1 20 . 1 1 12 12 LEU C C 3 176.162 176.162 175.525 0.637 18220
9887 1 20 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.162 2.438 18220
9888 1 20 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.673 -1.016 18220
9889 1 20 . 1 1 12 12 LEU H H 3 8.285 8.285 8.101 0.184 18220
9890 1 20 . 1 1 13 13 ILE N N 4 118.854 118.854 121.212 -2.358 18220
9891 1 20 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.283 -0.543 18220
9892 1 20 . 1 1 13 13 ILE C C 4 175.228 175.228 174.989 0.239 18220
9893 1 20 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.940 2.560 18220
9894 1 20 . 1 1 13 13 ILE CB C 4 37.102 37.102 39.295 -2.193 18220
9895 1 20 . 1 1 13 13 ILE H H 4 8.031 8.031 8.260 -0.229 18220
9896 1 20 . 1 1 14 14 GLY N N 5 107.478 107.478 110.687 -3.209 18220
9897 1 20 . 1 1 14 14 GLY C C 5 174.424 174.424 173.294 1.130 18220
9898 1 20 . 1 1 14 14 GLY CA C 5 47.059 47.059 44.592 2.467 18220
9899 1 20 . 1 1 14 14 GLY H H 5 8.148 8.148 7.995 0.153 18220
9900 1 20 . 1 1 15 15 PHE N N 6 122.774 122.774 124.896 -2.122 18220
9901 1 20 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.535 -0.055 18220
9902 1 20 . 1 1 15 15 PHE C C 6 175.113 175.113 176.611 -1.498 18220
9903 1 20 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.546 0.471 18220
9904 1 20 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.456 -0.682 18220
9905 1 20 . 1 1 15 15 PHE H H 6 8.194 8.194 8.637 -0.443 18220
9906 1 20 . 1 1 16 16 GLY N N 7 107.938 107.938 108.139 -0.201 18220
9907 1 20 . 1 1 16 16 GLY C C 7 171.838 171.838 175.981 -4.143 18220
9908 1 20 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.626 -0.526 18220
9909 1 20 . 1 1 16 16 GLY H H 7 8.697 8.697 8.693 0.004 18220
9910 1 20 . 1 1 17 17 TYR N N 8 121.785 121.785 123.144 -1.359 18220
9911 1 20 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.117 0.033 18220
9912 1 20 . 1 1 17 17 TYR C C 8 174.180 174.180 177.619 -3.439 18220
9913 1 20 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.209 0.091 18220
9914 1 20 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.300 -0.341 18220
9915 1 20 . 1 1 17 17 TYR H H 8 8.710 8.710 8.374 0.336 18220
9916 1 20 . 1 1 18 18 ALA N N 9 120.233 120.233 120.523 -0.290 18220
9917 1 20 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.927 0.023 18220
9918 1 20 . 1 1 18 18 ALA C C 9 178.059 178.059 178.764 -0.705 18220
9919 1 20 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.063 -0.191 18220
9920 1 20 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.622 -0.060 18220
9921 1 20 . 1 1 18 18 ALA H H 9 7.843 7.843 8.235 -0.392 18220
9922 1 20 . 1 1 19 19 ALA N N 10 121.797 121.797 121.513 0.284 18220
9923 1 20 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.160 -0.210 18220
9924 1 20 . 1 1 19 19 ALA C C 10 176.191 176.191 179.910 -3.719 18220
9925 1 20 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.623 -0.023 18220
9926 1 20 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.234 -0.672 18220
9927 1 20 . 1 1 19 19 ALA H H 10 8.212 8.212 7.699 0.513 18220
9928 1 20 . 1 1 20 20 LEU N N 11 119.442 119.442 120.531 -1.089 18220
9929 1 20 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.073 -0.136 18220
9930 1 20 . 1 1 20 20 LEU C C 11 176.694 176.694 179.295 -2.601 18220
9931 1 20 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.957 -0.157 18220
9932 1 20 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.051 0.171 18220
9933 1 20 . 1 1 20 20 LEU H H 11 8.065 8.065 8.004 0.061 18220
9934 1 20 . 1 1 21 21 VAL N N 12 118.323 118.323 119.352 -1.029 18220
9935 1 20 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.656 -0.016 18220
9936 1 20 . 1 1 21 21 VAL C C 12 176.536 176.536 178.296 -1.760 18220
9937 1 20 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.349 -0.949 18220
9938 1 20 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.534 0.601 18220
9939 1 20 . 1 1 21 21 VAL H H 12 8.051 8.051 8.381 -0.330 18220
9940 1 20 . 1 1 22 22 THR N N 13 118.298 118.298 116.939 1.359 18220
9941 1 20 . 1 1 22 22 THR HA H 13 4.660 4.660 3.873 0.787 18220
9942 1 20 . 1 1 22 22 THR C C 13 173.734 173.734 176.624 -2.890 18220
9943 1 20 . 1 1 22 22 THR CA C 13 66.300 66.300 67.303 -1.003 18220
9944 1 20 . 1 1 22 22 THR CB C 13 67.775 67.775 68.727 -0.952 18220
9945 1 20 . 1 1 22 22 THR H H 13 7.944 7.944 8.309 -0.365 18220
9946 1 20 . 1 1 23 23 PHE N N 14 121.328 121.328 121.520 -0.192 18220
9947 1 20 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.107 0.233 18220
9948 1 20 . 1 1 23 23 PHE C C 14 174.783 174.783 177.469 -2.686 18220
9949 1 20 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.557 -1.057 18220
9950 1 20 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.778 -0.152 18220
9951 1 20 . 1 1 23 23 PHE H H 14 8.567 8.567 8.231 0.336 18220
9952 1 20 . 1 1 24 24 GLY N N 15 106.871 106.871 106.855 0.016 18220
9953 1 20 . 1 1 24 24 GLY C C 15 172.858 172.858 176.394 -3.536 18220
9954 1 20 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.580 -0.680 18220
9955 1 20 . 1 1 24 24 GLY H H 15 8.475 8.475 8.468 0.007 18220
9956 1 20 . 1 1 25 25 SER N N 16 116.214 116.214 118.562 -2.348 18220
9957 1 20 . 1 1 25 25 SER HA H 16 4.280 4.280 4.038 0.242 18220
9958 1 20 . 1 1 25 25 SER CA C 16 60.300 60.300 61.678 -1.378 18220
9959 1 20 . 1 1 25 25 SER CB C 16 62.879 62.879 63.146 -0.267 18220
9960 1 20 . 1 1 25 25 SER H H 16 7.963 7.963 8.158 -0.195 18220
9961 1 20 . 1 1 26 26 ILE N N 17 121.024 121.024 121.833 -0.809 18220
9962 1 20 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.676 0.270 18220
9963 1 20 . 1 1 26 26 ILE C C 17 173.935 173.935 178.350 -4.415 18220
9964 1 20 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.141 -2.041 18220
9965 1 20 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.926 0.181 18220
9966 1 20 . 1 1 26 26 ILE H H 17 7.676 7.676 8.259 -0.583 18220
9967 1 20 . 1 1 27 27 PHE N N 18 117.142 117.142 119.348 -2.206 18220
9968 1 20 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.098 0.332 18220
9969 1 20 . 1 1 27 27 PHE C C 18 173.504 173.504 177.270 -3.766 18220
9970 1 20 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.684 -2.184 18220
9971 1 20 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.899 -0.125 18220
9972 1 20 . 1 1 27 27 PHE H H 18 7.703 7.703 8.592 -0.889 18220
9973 1 20 . 1 1 28 28 GLY N N 19 107.303 107.303 105.759 1.544 18220
9974 1 20 . 1 1 28 28 GLY C C 19 171.593 171.593 174.343 -2.750 18220
9975 1 20 . 1 1 28 28 GLY CA C 19 45.600 45.600 46.510 -0.910 18220
9976 1 20 . 1 1 28 28 GLY H H 19 7.722 7.722 7.849 -0.127 18220
9977 1 20 . 1 1 29 29 TYR N N 20 119.862 119.862 116.582 3.280 18220
9978 1 20 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.382 0.010 18220
9979 1 20 . 1 1 29 29 TYR C C 20 173.174 173.174 174.525 -1.351 18220
9980 1 20 . 1 1 29 29 TYR CA C 20 58.500 58.500 59.088 -0.588 18220
9981 1 20 . 1 1 29 29 TYR CB C 20 38.404 38.404 39.882 -1.478 18220
9982 1 20 . 1 1 29 29 TYR H H 20 7.880 7.880 8.005 -0.125 18220
9983 1 20 . 1 1 30 30 LYS N N 21 122.335 122.335 122.178 0.157 18220
9984 1 20 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.080 0.310 18220
9985 1 20 . 1 1 30 30 LYS C C 21 173.547 173.547 175.246 -1.699 18220
9986 1 20 . 1 1 30 30 LYS CA C 21 55.800 55.800 58.627 -2.827 18220
9987 1 20 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.990 -0.594 18220
9988 1 20 . 1 1 30 30 LYS H H 21 7.934 7.934 8.118 -0.184 18220
9989 1 20 . 1 1 31 31 ARG N N 22 120.612 120.612 118.212 2.400 18220
9990 1 20 . 1 1 31 31 ARG C C 22 173.547 173.547 174.732 -1.185 18220
9991 1 20 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.417 0.417 18220
9992 1 20 . 1 1 31 31 ARG CB C 22 30.101 30.101 29.269 0.832 18220
9993 1 20 . 1 1 31 31 ARG H H 22 7.905 7.905 8.347 -0.442 18220
9994 1 20 . 1 1 32 32 ARG N N 23 121.748 121.748 121.550 0.198 18220
9995 1 20 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.066 0.244 18220
9996 1 20 . 1 1 32 32 ARG C C 23 173.863 173.863 176.533 -2.670 18220
9997 1 20 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.934 -2.134 18220
9998 1 20 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.511 -0.266 18220
9999 1 20 . 1 1 32 32 ARG H H 23 8.175 8.175 8.431 -0.256 18220
10000 1 20 . 1 1 33 33 GLY N N 24 109.528 109.528 111.037 -1.509 18220
10001 1 20 . 1 1 33 33 GLY C C 24 171.752 171.752 173.425 -1.673 18220
10002 1 20 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.805 0.095 18220
10003 1 20 . 1 1 33 33 GLY H H 24 8.264 8.264 8.697 -0.433 18220
10004 1 20 . 1 1 34 34 GLY N N 25 108.563 108.563 107.841 0.722 18220
10005 1 20 . 1 1 34 34 GLY C C 25 171.701 171.701 173.419 -1.718 18220
10006 1 20 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.768 -0.168 18220
10007 1 20 . 1 1 34 34 GLY H H 25 8.208 8.208 7.803 0.405 18220
10008 1 20 . 1 1 35 35 VAL N N 26 121.164 121.164 119.701 1.463 18220
10009 1 20 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.111 -0.101 18220
10010 1 20 . 1 1 35 35 VAL C C 26 175.888 175.888 174.768 1.120 18220
10011 1 20 . 1 1 35 35 VAL CA C 26 63.900 63.900 63.640 0.260 18220
10012 1 20 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.927 -1.237 18220
10013 1 20 . 1 1 35 35 VAL H H 26 8.485 8.485 8.266 0.219 18220
10014 1 20 . 1 1 36 36 PRO C C 27 177.660 177.660 175.979 1.681 18220
10015 1 20 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.233 -1.386 18220
10016 1 20 . 1 1 37 37 SER N N 28 116.023 116.023 118.608 -2.585 18220
10017 1 20 . 1 1 37 37 SER HA H 28 4.280 4.280 4.525 -0.245 18220
10018 1 20 . 1 1 37 37 SER CA C 28 61.100 61.100 57.923 3.177 18220
10019 1 20 . 1 1 37 37 SER H H 28 7.948 7.948 7.935 0.013 18220
10020 1 20 . 1 1 38 38 LEU N N 29 124.029 124.029 122.064 1.965 18220
10021 1 20 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.968 0.202 18220
10022 1 20 . 1 1 38 38 LEU C C 29 176.132 176.132 178.486 -2.354 18220
10023 1 20 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.534 -1.034 18220
10024 1 20 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.597 0.441 18220
10025 1 20 . 1 1 38 38 LEU H H 29 8.201 8.201 8.612 -0.411 18220
10026 1 20 . 1 1 39 39 ILE N N 30 117.098 117.098 119.901 -2.803 18220
10027 1 20 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.675 0.695 18220
10028 1 20 . 1 1 39 39 ILE C C 30 176.478 176.478 178.227 -1.749 18220
10029 1 20 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.775 -0.696 18220
10030 1 20 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.049 0.924 18220
10031 1 20 . 1 1 39 39 ILE H H 30 7.662 7.662 7.663 -0.001 18220
10032 1 20 . 1 1 40 40 ALA N N 31 122.447 122.447 121.738 0.709 18220
10033 1 20 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.098 -0.064 18220
10034 1 20 . 1 1 40 40 ALA C C 31 177.067 177.067 179.907 -2.840 18220
10035 1 20 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.114 0.848 18220
10036 1 20 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.943 -0.087 18220
10037 1 20 . 1 1 40 40 ALA H H 31 8.096 8.096 8.071 0.025 18220
10038 1 20 . 1 1 41 41 GLY N N 32 104.056 104.056 106.975 -2.919 18220
10039 1 20 . 1 1 41 41 GLY C C 32 174.251 174.251 176.258 -2.007 18220
10040 1 20 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.816 -0.316 18220
10041 1 20 . 1 1 41 41 GLY H H 32 8.123 8.123 8.089 0.034 18220
10042 1 20 . 1 1 42 42 LEU N N 33 123.250 123.250 122.801 0.449 18220
10043 1 20 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.234 -0.377 18220
10044 1 20 . 1 1 42 42 LEU C C 33 176.033 176.033 178.410 -2.377 18220
10045 1 20 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.720 -1.052 18220
10046 1 20 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.203 -0.482 18220
10047 1 20 . 1 1 42 42 LEU H H 33 7.914 7.914 8.094 -0.180 18220
10048 1 20 . 1 1 43 43 PHE N N 34 119.757 119.757 120.200 -0.443 18220
10049 1 20 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.072 0.128 18220
10050 1 20 . 1 1 43 43 PHE C C 34 174.374 174.374 177.685 -3.311 18220
10051 1 20 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.670 -2.795 18220
10052 1 20 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.032 -0.198 18220
10053 1 20 . 1 1 43 43 PHE H H 34 8.287 8.287 8.287 0.000 18220
10054 1 20 . 1 1 44 44 VAL N N 35 117.791 117.791 118.378 -0.587 18220
10055 1 20 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.682 -0.072 18220
10056 1 20 . 1 1 44 44 VAL C C 35 176.205 176.205 177.895 -1.690 18220
10057 1 20 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.635 -3.076 18220
10058 1 20 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.781 -0.349 18220
10059 1 20 . 1 1 44 44 VAL H H 35 8.235 8.235 8.494 -0.259 18220
10060 1 20 . 1 1 45 45 GLY N N 36 108.551 108.551 107.221 1.330 18220
10061 1 20 . 1 1 45 45 GLY C C 36 173.749 173.749 175.738 -1.989 18220
10062 1 20 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.457 -1.374 18220
10063 1 20 . 1 1 45 45 GLY H H 36 8.178 8.178 8.117 0.061 18220
10064 1 20 . 1 1 46 46 CYS N N 37 121.173 121.173 120.087 1.086 18220
10065 1 20 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.026 0.154 18220
10066 1 20 . 1 1 46 46 CYS C C 37 173.710 173.710 176.719 -3.009 18220
10067 1 20 . 1 1 46 46 CYS CA C 37 63.000 63.000 62.767 0.233 18220
10068 1 20 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.514 32.769 18220
10069 1 20 . 1 1 46 46 CYS H H 37 8.253 8.253 8.418 -0.165 18220
10070 1 20 . 1 1 47 47 LEU N N 38 120.283 120.283 121.665 -1.382 18220
10071 1 20 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.798 0.262 18220
10072 1 20 . 1 1 47 47 LEU C C 38 176.679 176.679 178.433 -1.754 18220
10073 1 20 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.230 -2.203 18220
10074 1 20 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.959 -0.495 18220
10075 1 20 . 1 1 47 47 LEU H H 38 7.965 7.965 7.921 0.044 18220
10076 1 20 . 1 1 48 48 ALA N N 39 122.249 122.249 120.131 2.118 18220
10077 1 20 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.987 0.155 18220
10078 1 20 . 1 1 48 48 ALA C C 39 177.915 177.915 179.535 -1.620 18220
10079 1 20 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.350 -1.633 18220
10080 1 20 . 1 1 48 48 ALA CB C 39 17.985 17.985 17.905 0.080 18220
10081 1 20 . 1 1 48 48 ALA H H 39 8.066 8.066 8.315 -0.249 18220
10082 1 20 . 1 1 49 49 GLY N N 40 107.377 107.377 107.832 -0.455 18220
10083 1 20 . 1 1 49 49 GLY C C 40 172.527 172.527 175.869 -3.342 18220
10084 1 20 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.243 -1.793 18220
10085 1 20 . 1 1 49 49 GLY H H 40 8.172 8.172 8.130 0.042 18220
10086 1 20 . 1 1 50 50 TYR N N 41 122.409 122.409 124.614 -2.205 18220
10087 1 20 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.233 -0.434 18220
10088 1 20 . 1 1 50 50 TYR C C 41 174.208 174.208 178.405 -4.197 18220
10089 1 20 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.260 -2.015 18220
10090 1 20 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.212 -0.275 18220
10091 1 20 . 1 1 50 50 TYR H H 41 7.800 7.800 8.632 -0.832 18220
10092 1 20 . 1 1 51 51 GLY N N 42 106.935 106.935 105.796 1.139 18220
10093 1 20 . 1 1 51 51 GLY C C 42 172.642 172.642 175.534 -2.892 18220
10094 1 20 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.851 -0.586 18220
10095 1 20 . 1 1 51 51 GLY H H 42 8.199 8.199 8.377 -0.178 18220
10096 1 20 . 1 1 52 52 ALA N N 43 123.018 123.018 124.112 -1.094 18220
10097 1 20 . 1 1 52 52 ALA HA H 43 4.150 4.150 3.997 0.153 18220
10098 1 20 . 1 1 52 52 ALA C C 43 176.398 176.398 179.201 -2.803 18220
10099 1 20 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.639 -1.756 18220
10100 1 20 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.499 -0.258 18220
10101 1 20 . 1 1 52 52 ALA H H 43 7.758 7.758 8.346 -0.588 18220
10102 1 20 . 1 1 53 53 TYR N N 44 119.664 119.664 119.520 0.144 18220
10103 1 20 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.544 -0.226 18220
10104 1 20 . 1 1 53 53 TYR C C 44 174.180 174.180 177.327 -3.147 18220
10105 1 20 . 1 1 53 53 TYR CA C 44 58.593 58.593 59.382 -0.789 18220
10106 1 20 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.245 -0.053 18220
10107 1 20 . 1 1 53 53 TYR H H 44 7.920 7.920 8.042 -0.122 18220
10108 1 20 . 1 1 54 54 ARG N N 45 119.516 119.516 119.735 -0.219 18220
10109 1 20 . 1 1 54 54 ARG HA H 45 3.930 3.930 3.391 0.539 18220
10110 1 20 . 1 1 54 54 ARG C C 45 174.423 174.423 176.075 -1.652 18220
10111 1 20 . 1 1 54 54 ARG CA C 45 56.027 56.027 58.474 -2.447 18220
10112 1 20 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.750 -0.577 18220
10113 1 20 . 1 1 54 54 ARG H H 45 7.956 7.956 7.834 0.122 18220
10114 1 20 . 1 1 55 55 VAL N N 46 116.437 116.437 114.543 1.894 18220
10115 1 20 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.982 0.078 18220
10116 1 20 . 1 1 55 55 VAL C C 46 173.806 173.806 173.501 0.305 18220
10117 1 20 . 1 1 55 55 VAL CA C 46 62.300 62.300 62.822 -0.522 18220
10118 1 20 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.005 0.516 18220
10119 1 20 . 1 1 55 55 VAL H H 46 7.489 7.489 7.493 -0.004 18220
10120 1 20 . 1 1 56 56 SER N N 47 117.185 117.185 122.221 -5.036 18220
10121 1 20 . 1 1 56 56 SER HA H 47 4.401 4.401 4.587 -0.186 18220
10122 1 20 . 1 1 56 56 SER C C 47 172.074 172.074 173.441 -1.367 18220
10123 1 20 . 1 1 56 56 SER CA C 47 58.133 58.133 58.743 -0.610 18220
10124 1 20 . 1 1 56 56 SER CB C 47 63.468 63.468 65.196 -1.728 18220
10125 1 20 . 1 1 56 56 SER H H 47 7.728 7.728 8.434 -0.706 18220
10126 1 20 . 1 1 57 57 ASN N N 48 121.049 121.049 119.945 1.104 18220
10127 1 20 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.997 -0.407 18220
10128 1 20 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.541 0.058 18220
10129 1 20 . 1 1 57 57 ASN CB C 48 38.641 38.641 40.539 -1.899 18220
10130 1 20 . 1 1 57 57 ASN H H 48 8.228 8.228 7.995 0.233 18220
10131 1 20 . 1 1 58 58 ASP N N 49 120.276 120.276 118.955 1.321 18220
10132 1 20 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.563 -0.033 18220
10133 1 20 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.521 -0.319 18220
10134 1 20 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.235 -0.861 18220
10135 1 20 . 1 1 58 58 ASP H H 49 8.192 8.192 8.323 -0.131 18220
10136 1 20 . 1 1 59 59 LYS N N 50 120.660 120.660 120.061 0.599 18220
10137 1 20 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.888 0.312 18220
10138 1 20 . 1 1 59 59 LYS C C 50 173.474 173.474 175.791 -2.317 18220
10139 1 20 . 1 1 59 59 LYS CA C 50 56.300 56.300 58.776 -2.476 18220
10140 1 20 . 1 1 59 59 LYS CB C 50 32.034 32.034 31.968 0.066 18220
10141 1 20 . 1 1 59 59 LYS H H 50 8.003 8.003 8.564 -0.561 18220
10142 1 20 . 1 1 60 60 ARG N N 51 121.278 121.278 120.418 0.860 18220
10143 1 20 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.488 -0.288 18220
10144 1 20 . 1 1 60 60 ARG C C 51 173.303 173.303 173.746 -0.443 18220
10145 1 20 . 1 1 60 60 ARG CA C 51 56.283 56.283 55.206 1.077 18220
10146 1 20 . 1 1 60 60 ARG CB C 51 30.238 30.238 33.002 -2.764 18220
10147 1 20 . 1 1 60 60 ARG H H 51 8.091 8.091 8.123 -0.032 18220
10148 1 20 . 1 1 61 61 ASP N N 52 121.185 121.185 127.716 -6.531 18220
10149 1 20 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.546 0.069 18220
10150 1 20 . 1 1 61 61 ASP C C 52 173.777 173.777 175.581 -1.804 18220
10151 1 20 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.905 -1.926 18220
10152 1 20 . 1 1 61 61 ASP CB C 52 40.245 40.245 40.065 0.180 18220
10153 1 20 . 1 1 61 61 ASP H H 52 8.261 8.261 8.603 -0.342 18220
10154 1 20 . 1 1 62 62 VAL N N 53 121.902 121.902 120.401 1.501 18220
10155 1 20 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.135 -0.185 18220
10156 1 20 . 1 1 62 62 VAL C C 53 173.279 173.279 175.767 -2.488 18220
10157 1 20 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.952 -0.776 18220
10158 1 20 . 1 1 62 62 VAL CB C 53 32.099 32.099 33.064 -0.965 18220
10159 1 20 . 1 1 62 62 VAL H H 53 7.997 7.997 7.881 0.116 18220
10160 1 20 . 1 1 63 63 LYS N N 54 123.522 123.522 121.892 1.630 18220
10161 1 20 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.299 -0.039 18220
10162 1 20 . 1 1 63 63 LYS C C 54 174.481 174.481 178.174 -3.693 18220
10163 1 20 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.320 -2.973 18220
10164 1 20 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.250 -0.151 18220
10165 1 20 . 1 1 63 63 LYS H H 54 8.054 8.054 7.448 0.606 18220
10166 1 20 . 1 1 64 64 VAL N N 55 120.647 120.647 121.915 -1.268 18220
10167 1 20 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.466 0.481 18220
10168 1 20 . 1 1 64 64 VAL C C 55 174.955 174.955 178.248 -3.293 18220
10169 1 20 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.865 -2.265 18220
10170 1 20 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.371 0.506 18220
10171 1 20 . 1 1 64 64 VAL H H 55 8.225 8.225 8.183 0.042 18220
10172 1 20 . 1 1 65 65 SER N N 56 117.785 117.785 114.216 3.569 18220
10173 1 20 . 1 1 65 65 SER HA H 56 4.390 4.390 4.225 0.165 18220
10174 1 20 . 1 1 65 65 SER C C 56 172.300 172.300 176.536 -4.236 18220
10175 1 20 . 1 1 65 65 SER CA C 56 60.000 60.000 62.213 -2.213 18220
10176 1 20 . 1 1 65 65 SER CB C 56 62.879 62.879 62.781 0.098 18220
10177 1 20 . 1 1 65 65 SER H H 56 8.260 8.260 8.127 0.133 18220
10178 1 20 . 1 1 66 66 LEU N N 57 123.318 123.318 121.098 2.220 18220
10179 1 20 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.073 0.017 18220
10180 1 20 . 1 1 66 66 LEU C C 57 175.932 175.932 178.693 -2.761 18220
10181 1 20 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.140 -0.638 18220
10182 1 20 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.093 -0.372 18220
10183 1 20 . 1 1 66 66 LEU H H 57 8.091 8.091 7.521 0.570 18220
10184 1 20 . 1 1 67 67 PHE N N 58 118.020 118.020 118.024 -0.004 18220
10185 1 20 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.539 -0.209 18220
10186 1 20 . 1 1 67 67 PHE C C 58 174.912 174.912 178.135 -3.223 18220
10187 1 20 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.384 -0.784 18220
10188 1 20 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.641 -0.089 18220
10189 1 20 . 1 1 67 67 PHE H H 58 8.066 8.066 8.311 -0.245 18220
10190 1 20 . 1 1 68 68 THR N N 59 115.324 115.324 117.806 -2.482 18220
10191 1 20 . 1 1 68 68 THR HA H 59 4.310 4.310 4.087 0.223 18220
10192 1 20 . 1 1 68 68 THR C C 59 173.380 173.380 176.359 -2.979 18220
10193 1 20 . 1 1 68 68 THR CA C 59 66.313 66.313 67.723 -1.410 18220
10194 1 20 . 1 1 68 68 THR CB C 59 67.700 67.700 68.915 -1.216 18220
10195 1 20 . 1 1 68 68 THR H H 59 8.287 8.287 8.278 0.009 18220
10196 1 20 . 1 1 69 69 ALA N N 60 123.621 123.621 124.258 -0.637 18220
10197 1 20 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.071 0.209 18220
10198 1 20 . 1 1 69 69 ALA C C 60 176.978 176.978 178.583 -1.605 18220
10199 1 20 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.300 -0.200 18220
10200 1 20 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.349 -0.621 18220
10201 1 20 . 1 1 69 69 ALA H H 60 7.983 7.983 8.685 -0.702 18220
10202 1 20 . 1 1 70 70 PHE N N 61 118.520 118.520 120.418 -1.898 18220
10203 1 20 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.078 0.182 18220
10204 1 20 . 1 1 70 70 PHE C C 61 175.369 175.369 176.745 -1.376 18220
10205 1 20 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.331 -1.152 18220
10206 1 20 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.874 -0.168 18220
10207 1 20 . 1 1 70 70 PHE H H 61 8.007 8.007 8.265 -0.258 18220
10208 1 20 . 1 1 71 71 PHE N N 62 122.314 122.314 119.198 3.116 18220
10209 1 20 . 1 1 71 71 PHE HA H 62 4.000 4.000 3.717 0.283 18220
10210 1 20 . 1 1 71 71 PHE C C 62 174.697 174.697 177.064 -2.367 18220
10211 1 20 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.280 -0.763 18220
10212 1 20 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.086 -0.316 18220
10213 1 20 . 1 1 71 71 PHE H H 62 8.546 8.546 8.160 0.386 18220
10214 1 20 . 1 1 72 72 LEU N N 63 119.399 119.399 120.905 -1.506 18220
10215 1 20 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.702 0.168 18220
10216 1 20 . 1 1 72 72 LEU C C 63 175.774 175.774 178.654 -2.880 18220
10217 1 20 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.578 -1.653 18220
10218 1 20 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.453 -0.246 18220
10219 1 20 . 1 1 72 72 LEU H H 63 8.396 8.396 8.147 0.249 18220
10220 1 20 . 1 1 73 73 ALA N N 64 120.221 120.221 120.388 -0.167 18220
10221 1 20 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.805 0.155 18220
10222 1 20 . 1 1 73 73 ALA C C 64 177.267 177.267 179.451 -2.184 18220
10223 1 20 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.243 -0.644 18220
10224 1 20 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.946 -0.162 18220
10225 1 20 . 1 1 73 73 ALA H H 64 8.025 8.025 8.451 -0.426 18220
10226 1 20 . 1 1 74 74 THR N N 65 113.648 113.648 113.240 0.408 18220
10227 1 20 . 1 1 74 74 THR HA H 65 3.980 3.980 3.780 0.200 18220
10228 1 20 . 1 1 74 74 THR CA C 65 66.291 66.291 66.662 -0.371 18220
10229 1 20 . 1 1 74 74 THR CB C 65 67.914 67.914 68.332 -0.418 18220
10230 1 20 . 1 1 74 74 THR H H 65 7.717 7.717 7.894 -0.177 18220
10231 1 20 . 1 1 75 75 ILE N N 66 120.291 120.291 118.920 1.371 18220
10232 1 20 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.667 0.073 18220
10233 1 20 . 1 1 75 75 ILE C C 66 174.951 174.951 176.526 -1.575 18220
10234 1 20 . 1 1 75 75 ILE CA C 66 64.880 64.880 62.420 2.460 18220
10235 1 20 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.392 -0.226 18220
10236 1 20 . 1 1 75 75 ILE H H 66 7.738 7.738 7.374 0.364 18220
10237 1 20 . 1 1 76 76 MET N N 67 117.618 117.618 117.951 -0.333 18220
10238 1 20 . 1 1 76 76 MET HA H 67 4.220 4.220 4.284 -0.064 18220
10239 1 20 . 1 1 76 76 MET C C 67 175.142 175.142 176.418 -1.276 18220
10240 1 20 . 1 1 76 76 MET CA C 67 56.723 56.723 57.502 -0.779 18220
10241 1 20 . 1 1 76 76 MET CB C 67 31.951 31.951 34.135 -2.184 18220
10242 1 20 . 1 1 76 76 MET H H 67 7.823 7.823 7.784 0.039 18220
10243 1 20 . 1 1 77 77 GLY N N 68 107.110 107.110 106.765 0.345 18220
10244 1 20 . 1 1 77 77 GLY C C 68 172.260 172.260 173.324 -1.064 18220
10245 1 20 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.057 1.742 18220
10246 1 20 . 1 1 77 77 GLY H H 68 7.937 7.937 8.105 -0.168 18220
10247 1 20 . 1 1 78 78 VAL N N 69 120.431 120.431 119.621 0.810 18220
10248 1 20 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.456 0.764 18220
10249 1 20 . 1 1 78 78 VAL CA C 69 63.900 63.900 61.893 2.007 18220
10250 1 20 . 1 1 78 78 VAL CB C 69 31.506 31.506 30.877 0.629 18220
10251 1 20 . 1 1 78 78 VAL H H 69 7.697 7.697 8.211 -0.514 18220
10252 1 20 . 1 1 79 79 ARG N N 70 121.420 121.420 121.980 -0.560 18220
10253 1 20 . 1 1 79 79 ARG HA H 70 3.810 3.810 3.931 -0.121 18220
10254 1 20 . 1 1 79 79 ARG CA C 70 56.400 56.400 58.175 -1.775 18220
10255 1 20 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.403 -0.306 18220
10256 1 20 . 1 1 79 79 ARG H H 70 7.889 7.889 8.117 -0.228 18220
10257 1 20 . 1 1 80 80 PHE N N 71 119.949 119.949 118.206 1.743 18220
10258 1 20 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.498 0.012 18220
10259 1 20 . 1 1 80 80 PHE CA C 71 58.600 58.600 57.117 1.483 18220
10260 1 20 . 1 1 80 80 PHE CB C 71 39.145 39.145 38.427 0.718 18220
10261 1 20 . 1 1 80 80 PHE H H 71 8.101 8.101 7.840 0.261 18220
10262 1 20 . 1 1 81 81 LYS N N 72 122.193 122.193 123.928 -1.735 18220
10263 1 20 . 1 1 81 81 LYS CA C 72 56.800 56.800 57.380 -0.580 18220
10264 1 20 . 1 1 81 81 LYS CB C 72 32.322 32.322 32.368 -0.046 18220
10265 1 20 . 1 1 81 81 LYS H H 72 8.090 8.090 8.423 -0.333 18220
10266 1 20 . 1 1 82 82 ARG N N 73 119.650 119.650 120.483 -0.833 18220
10267 1 20 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.963 -0.874 18220
10268 1 20 . 1 1 82 82 ARG CB C 73 30.171 30.171 29.308 0.863 18220
10269 1 20 . 1 1 82 82 ARG H H 73 8.052 8.052 8.501 -0.449 18220
10270 1 20 . 1 1 83 83 SER N N 74 115.734 115.734 115.872 -0.138 18220
10271 1 20 . 1 1 83 83 SER CA C 74 58.355 58.355 58.195 0.160 18220
10272 1 20 . 1 1 83 83 SER CB C 74 63.404 63.404 63.917 -0.513 18220
10273 1 20 . 1 1 83 83 SER H H 74 7.912 7.912 7.923 -0.011 18220
10274 1 20 . 1 1 84 84 LYS N N 75 122.370 122.370 122.759 -0.389 18220
10275 1 20 . 1 1 84 84 LYS CA C 75 56.135 56.135 57.017 -0.882 18220
10276 1 20 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.499 -0.324 18220
10277 1 20 . 1 1 84 84 LYS H H 75 8.067 8.067 8.287 -0.220 18220
10278 1 20 . 1 1 86 86 ILE N N 77 119.592 119.592 122.825 -3.233 18220
10279 1 20 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.049 -0.239 18220
10280 1 20 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.260 2.640 18220
10281 1 20 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.789 0.356 18220
10282 1 20 . 1 1 86 86 ILE H H 77 7.837 7.837 8.250 -0.413 18220
10283 1 20 . 1 1 87 87 MET N N 78 121.645 121.645 120.339 1.306 18220
10284 1 20 . 1 1 87 87 MET CA C 78 52.982 52.982 58.487 -5.505 18220
10285 1 20 . 1 1 87 87 MET CB C 78 32.173 32.173 29.947 2.227 18220
10286 1 20 . 1 1 87 87 MET H H 78 7.950 7.950 8.468 -0.518 18220
10287 1 20 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.401 -0.261 18220
10288 1 20 . 1 1 88 88 PRO C C 79 173.921 173.921 178.290 -4.369 18220
10289 1 20 . 1 1 88 88 PRO CA C 79 62.800 62.800 64.973 -2.173 18220
10290 1 20 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.024 0.112 18220
10291 1 20 . 1 1 89 89 ALA N N 80 124.431 124.431 120.671 3.760 18220
10292 1 20 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.969 0.431 18220
10293 1 20 . 1 1 89 89 ALA C C 80 176.234 176.234 179.167 -2.933 18220
10294 1 20 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.733 -1.433 18220
10295 1 20 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.192 0.306 18220
10296 1 20 . 1 1 89 89 ALA H H 80 8.320 8.320 8.499 -0.179 18220
10297 1 20 . 1 1 90 90 GLY N N 81 106.834 106.834 107.339 -0.505 18220
10298 1 20 . 1 1 90 90 GLY C C 81 172.398 172.398 175.958 -3.560 18220
10299 1 20 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.204 -1.604 18220
10300 1 20 . 1 1 90 90 GLY H H 81 8.458 8.458 7.700 0.758 18220
10301 1 20 . 1 1 91 91 LEU N N 82 121.043 121.043 122.850 -1.807 18220
10302 1 20 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.955 0.245 18220
10303 1 20 . 1 1 91 91 LEU C C 82 174.783 174.783 178.795 -4.012 18220
10304 1 20 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.947 -1.647 18220
10305 1 20 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.992 0.114 18220
10306 1 20 . 1 1 91 91 LEU H H 82 7.687 7.687 7.519 0.168 18220
10307 1 20 . 1 1 92 92 VAL N N 83 114.737 114.737 116.055 -1.318 18220
10308 1 20 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.633 0.347 18220
10309 1 20 . 1 1 92 92 VAL C C 83 173.634 173.634 177.430 -3.796 18220
10310 1 20 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.179 -3.779 18220
10311 1 20 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.089 0.496 18220
10312 1 20 . 1 1 92 92 VAL H H 83 7.602 7.602 7.874 -0.272 18220
10313 1 20 . 1 1 93 93 ALA N N 84 124.320 124.320 122.364 1.956 18220
10314 1 20 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.137 0.013 18220
10315 1 20 . 1 1 93 93 ALA C C 84 175.746 175.746 179.718 -3.972 18220
10316 1 20 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.304 -2.004 18220
10317 1 20 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.894 0.347 18220
10318 1 20 . 1 1 93 93 ALA H H 84 7.891 7.891 8.155 -0.264 18220
10319 1 20 . 1 1 94 94 GLY N N 85 106.807 106.807 108.374 -1.567 18220
10320 1 20 . 1 1 94 94 GLY C C 85 171.752 171.752 175.942 -4.190 18220
10321 1 20 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.901 -1.652 18220
10322 1 20 . 1 1 94 94 GLY H H 85 8.204 8.204 8.346 -0.142 18220
10323 1 20 . 1 1 95 95 LEU N N 86 121.266 121.266 122.695 -1.429 18220
10324 1 20 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.998 0.382 18220
10325 1 20 . 1 1 95 95 LEU C C 86 173.702 173.702 179.125 -5.423 18220
10326 1 20 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.760 -2.760 18220
10327 1 20 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.055 1.243 18220
10328 1 20 . 1 1 95 95 LEU H H 86 7.718 7.718 8.297 -0.579 18220
10329 1 20 . 1 1 96 96 SER N N 87 115.658 115.658 115.065 0.593 18220
10330 1 20 . 1 1 96 96 SER HA H 87 4.370 4.370 4.112 0.258 18220
10331 1 20 . 1 1 96 96 SER C C 87 172.479 172.479 176.546 -4.067 18220
10332 1 20 . 1 1 96 96 SER CA C 87 57.200 57.200 62.114 -4.914 18220
10333 1 20 . 1 1 96 96 SER CB C 87 64.174 64.174 63.027 1.147 18220
10334 1 20 . 1 1 96 96 SER H H 87 7.659 7.659 8.027 -0.368 18220
10335 1 20 . 1 1 97 97 LEU N N 88 123.720 123.720 122.506 1.214 18220
10336 1 20 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.871 0.729 18220
10337 1 20 . 1 1 97 97 LEU C C 88 175.932 175.932 178.396 -2.464 18220
10338 1 20 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.390 -0.790 18220
10339 1 20 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.048 -0.648 18220
10340 1 20 . 1 1 97 97 LEU H H 88 8.733 8.733 7.854 0.879 18220
10341 1 20 . 1 1 98 98 MET N N 89 116.684 116.684 118.322 -1.638 18220
10342 1 20 . 1 1 98 98 MET HA H 89 4.280 4.280 3.934 0.346 18220
10343 1 20 . 1 1 98 98 MET C C 89 175.789 175.789 178.355 -2.566 18220
10344 1 20 . 1 1 98 98 MET CA C 89 56.915 56.915 58.877 -1.962 18220
10345 1 20 . 1 1 98 98 MET CB C 89 31.007 31.007 32.512 -1.505 18220
10346 1 20 . 1 1 98 98 MET H H 89 8.342 8.342 8.425 -0.083 18220
10347 1 20 . 1 1 99 99 MET N N 90 119.182 119.182 119.299 -0.117 18220
10348 1 20 . 1 1 99 99 MET HA H 90 4.110 4.110 3.986 0.124 18220
10349 1 20 . 1 1 99 99 MET C C 90 175.588 175.588 178.658 -3.070 18220
10350 1 20 . 1 1 99 99 MET CA C 90 57.951 57.951 59.319 -1.368 18220
10351 1 20 . 1 1 99 99 MET CB C 90 32.226 32.226 32.218 0.008 18220
10352 1 20 . 1 1 99 99 MET H H 90 7.720 7.720 7.919 -0.199 18220
10353 1 20 . 1 1 100 100 ILE N N 91 119.077 119.077 119.717 -0.640 18220
10354 1 20 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.593 0.517 18220
10355 1 20 . 1 1 100 100 ILE C C 91 174.634 174.634 178.785 -4.151 18220
10356 1 20 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.058 -0.958 18220
10357 1 20 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.777 -0.634 18220
10358 1 20 . 1 1 100 100 ILE H H 91 7.662 7.662 8.514 -0.852 18220
10359 1 20 . 1 1 101 101 LEU N N 92 119.646 119.646 119.582 0.064 18220
10360 1 20 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.927 0.603 18220
10361 1 20 . 1 1 101 101 LEU C C 92 175.430 175.430 178.780 -3.350 18220
10362 1 20 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.206 -0.406 18220
10363 1 20 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.778 -1.020 18220
10364 1 20 . 1 1 101 101 LEU H H 92 8.142 8.142 8.160 -0.018 18220
10365 1 20 . 1 1 102 102 ARG N N 93 116.394 116.394 118.979 -2.585 18220
10366 1 20 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.033 0.107 18220
10367 1 20 . 1 1 102 102 ARG C C 93 175.961 175.961 178.475 -2.514 18220
10368 1 20 . 1 1 102 102 ARG CA C 93 59.100 59.100 59.085 0.015 18220
10369 1 20 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.874 -0.470 18220
10370 1 20 . 1 1 102 102 ARG H H 93 7.893 7.893 8.088 -0.195 18220
10371 1 20 . 1 1 103 103 LEU N N 94 119.114 119.114 121.247 -2.133 18220
10372 1 20 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.016 0.094 18220
10373 1 20 . 1 1 103 103 LEU C C 94 175.889 175.889 178.618 -2.729 18220
10374 1 20 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.879 -0.579 18220
10375 1 20 . 1 1 103 103 LEU CB C 94 41.296 41.296 40.762 0.534 18220
10376 1 20 . 1 1 103 103 LEU H H 94 7.622 7.622 7.996 -0.374 18220
10377 1 20 . 1 1 104 104 VAL N N 95 117.704 117.704 119.095 -1.391 18220
10378 1 20 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.619 -0.089 18220
10379 1 20 . 1 1 104 104 VAL C C 95 175.042 175.042 178.417 -3.375 18220
10380 1 20 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.914 0.505 18220
10381 1 20 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.245 0.112 18220
10382 1 20 . 1 1 104 104 VAL H H 95 8.026 8.026 7.592 0.434 18220
10383 1 20 . 1 1 105 105 LEU N N 96 117.185 117.185 120.256 -3.071 18220
10384 1 20 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.942 0.038 18220
10385 1 20 . 1 1 105 105 LEU C C 96 176.579 176.579 178.582 -2.003 18220
10386 1 20 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.924 -1.124 18220
10387 1 20 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.936 -0.985 18220
10388 1 20 . 1 1 105 105 LEU H H 96 7.893 7.893 7.529 0.364 18220
10389 1 20 . 1 1 106 106 LEU N N 97 118.471 118.471 119.684 -1.213 18220
10390 1 20 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.864 0.316 18220
10391 1 20 . 1 1 106 106 LEU C C 97 175.802 175.802 178.266 -2.464 18220
10392 1 20 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.599 -1.299 18220
10393 1 20 . 1 1 106 106 LEU CB C 97 41.592 41.592 42.234 -0.642 18220
10394 1 20 . 1 1 106 106 LEU H H 97 7.545 7.545 8.236 -0.691 18220
10395 1 20 . 1 1 107 107 LEU N N 98 118.162 118.162 118.439 -0.277 18220
10396 1 20 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.135 0.095 18220
10397 1 20 . 1 1 107 107 LEU C C 98 174.174 174.174 178.019 -3.845 18220
10398 1 20 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.723 -0.440 18220
10399 1 20 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.494 -0.132 18220
10400 1 20 . 1 1 107 107 LEU H H 98 7.688 7.688 7.902 -0.214 18220
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 94 2.269 0.305 2.260 18220
2 1 1 "Average Difference" HA 100 0.268 -0.112 0.245 18220
3 1 1 "Average Difference" C 81 2.982 2.750 1.161 18220
4 1 1 "Average Difference" CA 96 1.878 0.803 1.706 18220
5 1 1 "Average Difference" CB 81 3.770 -0.162 3.790 18220
6 1 1 "Average Difference" HN 94 0.372 0.111 0.357 18220
7 1 2 "Average Difference" N 94 2.445 0.152 2.453 18220
8 1 2 "Average Difference" HA 100 0.284 -0.085 0.273 18220
9 1 2 "Average Difference" C 81 2.823 2.554 1.209 18220
10 1 2 "Average Difference" CA 96 1.562 0.745 1.380 18220
11 1 2 "Average Difference" CB 81 3.765 0.027 3.788 18220
12 1 2 "Average Difference" HN 94 0.388 0.117 0.372 18220
13 1 3 "Average Difference" N 94 1.900 0.286 1.889 18220
14 1 3 "Average Difference" HA 100 0.278 -0.097 0.262 18220
15 1 3 "Average Difference" C 81 2.866 2.583 1.250 18220
16 1 3 "Average Difference" CA 96 1.582 0.677 1.438 18220
17 1 3 "Average Difference" CB 81 3.960 0.018 3.985 18220
18 1 3 "Average Difference" HN 94 0.370 0.178 0.326 18220
19 1 4 "Average Difference" N 94 2.118 0.664 2.022 18220
20 1 4 "Average Difference" HA 100 0.296 -0.097 0.281 18220
21 1 4 "Average Difference" C 81 2.888 2.560 1.344 18220
22 1 4 "Average Difference" CA 96 1.625 0.667 1.490 18220
23 1 4 "Average Difference" CB 81 3.792 -0.075 3.815 18220
24 1 4 "Average Difference" HN 94 0.358 0.148 0.328 18220
25 1 5 "Average Difference" N 94 1.745 -0.098 1.752 18220
26 1 5 "Average Difference" HA 100 0.315 -0.061 0.310 18220
27 1 5 "Average Difference" C 81 2.957 2.688 1.239 18220
28 1 5 "Average Difference" CA 96 1.730 0.687 1.596 18220
29 1 5 "Average Difference" CB 81 3.809 -0.083 3.832 18220
30 1 5 "Average Difference" HN 94 0.376 0.172 0.336 18220
31 1 6 "Average Difference" N 94 2.099 0.210 2.099 18220
32 1 6 "Average Difference" HA 100 0.282 -0.087 0.269 18220
33 1 6 "Average Difference" C 81 2.904 2.659 1.177 18220
34 1 6 "Average Difference" CA 96 1.735 0.686 1.602 18220
35 1 6 "Average Difference" CB 81 3.762 -0.134 3.783 18220
36 1 6 "Average Difference" HN 94 0.366 0.119 0.348 18220
37 1 7 "Average Difference" N 94 1.722 0.087 1.729 18220
38 1 7 "Average Difference" HA 100 0.277 -0.047 0.274 18220
39 1 7 "Average Difference" C 81 2.896 2.581 1.321 18220
40 1 7 "Average Difference" CA 96 1.548 0.679 1.399 18220
41 1 7 "Average Difference" CB 81 3.830 -0.052 3.854 18220
42 1 7 "Average Difference" HN 94 0.342 0.128 0.319 18220
43 1 8 "Average Difference" N 94 1.884 0.087 1.892 18220
44 1 8 "Average Difference" HA 100 0.283 -0.060 0.278 18220
45 1 8 "Average Difference" C 81 2.838 2.468 1.410 18220
46 1 8 "Average Difference" CA 96 1.852 0.683 1.731 18220
47 1 8 "Average Difference" CB 81 3.781 0.017 3.804 18220
48 1 8 "Average Difference" HN 94 0.378 0.126 0.358 18220
49 1 9 "Average Difference" N 94 2.073 0.163 2.078 18220
50 1 9 "Average Difference" HA 100 0.315 -0.072 0.309 18220
51 1 9 "Average Difference" C 81 2.811 2.489 1.315 18220
52 1 9 "Average Difference" CA 96 1.596 0.590 1.491 18220
53 1 9 "Average Difference" CB 81 3.729 -0.001 3.752 18220
54 1 9 "Average Difference" HN 94 0.403 0.133 0.383 18220
55 1 10 "Average Difference" N 94 1.932 -0.146 1.937 18220
56 1 10 "Average Difference" HA 100 0.279 -0.083 0.267 18220
57 1 10 "Average Difference" C 81 2.945 2.660 1.272 18220
58 1 10 "Average Difference" CA 96 1.639 0.689 1.495 18220
59 1 10 "Average Difference" CB 81 3.836 -0.012 3.859 18220
60 1 10 "Average Difference" HN 94 0.368 0.141 0.341 18220
61 1 11 "Average Difference" N 94 1.945 0.191 1.946 18220
62 1 11 "Average Difference" HA 100 0.283 -0.081 0.273 18220
63 1 11 "Average Difference" C 81 2.902 2.648 1.194 18220
64 1 11 "Average Difference" CA 96 1.813 0.765 1.652 18220
65 1 11 "Average Difference" CB 81 3.820 -0.031 3.844 18220
66 1 11 "Average Difference" HN 94 0.384 0.152 0.354 18220
67 1 12 "Average Difference" N 94 2.035 0.161 2.039 18220
68 1 12 "Average Difference" HA 100 0.294 -0.085 0.283 18220
69 1 12 "Average Difference" C 81 2.839 2.559 1.238 18220
70 1 12 "Average Difference" CA 96 1.583 0.610 1.469 18220
71 1 12 "Average Difference" CB 81 3.797 0.016 3.820 18220
72 1 12 "Average Difference" HN 94 0.351 0.121 0.331 18220
73 1 13 "Average Difference" N 94 2.054 -0.129 2.061 18220
74 1 13 "Average Difference" HA 100 0.283 -0.082 0.272 18220
75 1 13 "Average Difference" C 81 2.850 2.537 1.307 18220
76 1 13 "Average Difference" CA 96 1.639 0.694 1.493 18220
77 1 13 "Average Difference" CB 81 3.732 0.021 3.755 18220
78 1 13 "Average Difference" HN 94 0.361 0.103 0.347 18220
79 1 14 "Average Difference" N 94 2.262 -0.233 2.262 18220
80 1 14 "Average Difference" HA 100 0.275 -0.106 0.254 18220
81 1 14 "Average Difference" C 81 2.900 2.613 1.265 18220
82 1 14 "Average Difference" CA 96 1.620 0.667 1.484 18220
83 1 14 "Average Difference" CB 81 3.963 -0.050 3.988 18220
84 1 14 "Average Difference" HN 94 0.412 0.114 0.398 18220
85 1 15 "Average Difference" N 94 1.991 0.171 1.994 18220
86 1 15 "Average Difference" HA 100 0.297 -0.076 0.289 18220
87 1 15 "Average Difference" C 81 2.851 2.549 1.286 18220
88 1 15 "Average Difference" CA 96 1.603 0.719 1.440 18220
89 1 15 "Average Difference" CB 81 3.738 -0.055 3.761 18220
90 1 15 "Average Difference" HN 94 0.357 0.144 0.328 18220
91 1 16 "Average Difference" N 94 2.309 -0.015 2.322 18220
92 1 16 "Average Difference" HA 100 0.319 -0.037 0.319 18220
93 1 16 "Average Difference" C 81 2.969 2.651 1.345 18220
94 1 16 "Average Difference" CA 96 1.916 0.824 1.739 18220
95 1 16 "Average Difference" CB 81 3.902 -0.084 3.926 18220
96 1 16 "Average Difference" HN 94 0.355 0.137 0.329 18220
97 1 17 "Average Difference" N 94 2.092 0.335 2.077 18220
98 1 17 "Average Difference" HA 100 0.266 -0.046 0.263 18220
99 1 17 "Average Difference" C 81 2.820 2.513 1.288 18220
100 1 17 "Average Difference" CA 96 1.576 0.603 1.464 18220
101 1 17 "Average Difference" CB 81 3.762 0.045 3.785 18220
102 1 17 "Average Difference" HN 94 0.354 0.162 0.317 18220
103 1 18 "Average Difference" N 94 2.106 -0.049 2.116 18220
104 1 18 "Average Difference" HA 100 0.272 -0.102 0.253 18220
105 1 18 "Average Difference" C 81 2.888 2.563 1.341 18220
106 1 18 "Average Difference" CA 96 1.717 0.728 1.563 18220
107 1 18 "Average Difference" CB 81 3.829 -0.053 3.853 18220
108 1 18 "Average Difference" HN 94 0.386 0.159 0.353 18220
109 1 19 "Average Difference" N 94 2.269 0.122 2.278 18220
110 1 19 "Average Difference" HA 100 0.284 -0.081 0.273 18220
111 1 19 "Average Difference" C 81 2.867 2.581 1.257 18220
112 1 19 "Average Difference" CA 96 1.627 0.685 1.484 18220
113 1 19 "Average Difference" CB 81 3.819 -0.060 3.842 18220
114 1 19 "Average Difference" HN 94 0.359 0.144 0.331 18220
115 1 20 "Average Difference" N 94 1.836 0.343 1.813 18220
116 1 20 "Average Difference" HA 100 0.288 -0.115 0.265 18220
117 1 20 "Average Difference" C 81 2.792 2.440 1.366 18220
118 1 20 "Average Difference" CA 96 1.723 0.807 1.530 18220
119 1 20 "Average Difference" CB 81 3.745 -0.118 3.767 18220
120 1 20 "Average Difference" HN 94 0.369 0.119 0.351 18220
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 18220
_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 ASP N N 2 120.536 120.536 122.288 -1.752 18220
2 1 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.389 1.529 18220
3 1 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.687 -3.728 18220
4 1 . 1 1 11 11 ASP H H 2 7.863 7.863 8.402 -0.539 18220
5 1 . 1 1 12 12 LEU N N 3 121.414 121.414 122.641 -1.227 18220
6 1 . 1 1 12 12 LEU C C 3 176.162 176.162 176.046 0.116 18220
7 1 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.064 2.536 18220
8 1 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.575 -0.919 18220
9 1 . 1 1 12 12 LEU H H 3 8.285 8.285 8.209 0.076 18220
10 1 . 1 1 13 13 ILE N N 4 118.854 118.854 120.719 -1.865 18220
11 1 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.385 -0.645 18220
12 1 . 1 1 13 13 ILE C C 4 175.228 175.228 175.666 -0.438 18220
13 1 . 1 1 13 13 ILE CA C 4 64.500 64.500 60.941 3.559 18220
14 1 . 1 1 13 13 ILE CB C 4 37.102 37.102 39.751 -2.649 18220
15 1 . 1 1 13 13 ILE H H 4 8.031 8.031 8.159 -0.128 18220
16 1 . 1 1 14 14 GLY N N 5 107.478 107.478 110.914 -3.436 18220
17 1 . 1 1 14 14 GLY C C 5 174.424 174.424 174.595 -0.171 18220
18 1 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.093 1.966 18220
19 1 . 1 1 14 14 GLY H H 5 8.148 8.148 8.163 -0.015 18220
20 1 . 1 1 15 15 PHE N N 6 122.774 122.774 124.107 -1.333 18220
21 1 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.383 0.097 18220
22 1 . 1 1 15 15 PHE C C 6 175.113 175.113 177.217 -2.104 18220
23 1 . 1 1 15 15 PHE CA C 6 60.017 60.017 60.104 -0.087 18220
24 1 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.365 -0.591 18220
25 1 . 1 1 15 15 PHE H H 6 8.194 8.194 8.632 -0.438 18220
26 1 . 1 1 16 16 GLY N N 7 107.938 107.938 107.707 0.231 18220
27 1 . 1 1 16 16 GLY C C 7 171.838 171.838 175.929 -4.091 18220
28 1 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.526 -0.426 18220
29 1 . 1 1 16 16 GLY H H 7 8.697 8.697 8.517 0.180 18220
30 1 . 1 1 17 17 TYR N N 8 121.785 121.785 122.905 -1.120 18220
31 1 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.097 0.053 18220
32 1 . 1 1 17 17 TYR C C 8 174.180 174.180 177.680 -3.500 18220
33 1 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.034 0.266 18220
34 1 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.144 -0.185 18220
35 1 . 1 1 17 17 TYR H H 8 8.710 8.710 8.291 0.419 18220
36 1 . 1 1 18 18 ALA N N 9 120.233 120.233 120.616 -0.383 18220
37 1 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.892 0.058 18220
38 1 . 1 1 18 18 ALA C C 9 178.059 178.059 178.933 -0.874 18220
39 1 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.043 -0.171 18220
40 1 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.655 -0.093 18220
41 1 . 1 1 18 18 ALA H H 9 7.843 7.843 8.198 -0.355 18220
42 1 . 1 1 19 19 ALA N N 10 121.797 121.797 121.200 0.597 18220
43 1 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.147 -0.197 18220
44 1 . 1 1 19 19 ALA C C 10 176.191 176.191 179.663 -3.472 18220
45 1 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.563 0.037 18220
46 1 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.202 -0.640 18220
47 1 . 1 1 19 19 ALA H H 10 8.212 8.212 7.753 0.459 18220
48 1 . 1 1 20 20 LEU N N 11 119.442 119.442 120.767 -1.325 18220
49 1 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.030 -0.093 18220
50 1 . 1 1 20 20 LEU C C 11 176.694 176.694 178.739 -2.045 18220
51 1 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.080 -0.280 18220
52 1 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.794 -0.572 18220
53 1 . 1 1 20 20 LEU H H 11 8.065 8.065 7.908 0.157 18220
54 1 . 1 1 21 21 VAL N N 12 118.323 118.323 118.584 -0.261 18220
55 1 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.528 0.112 18220
56 1 . 1 1 21 21 VAL C C 12 176.536 176.536 178.025 -1.489 18220
57 1 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.995 -1.595 18220
58 1 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.107 0.028 18220
59 1 . 1 1 21 21 VAL H H 12 8.051 8.051 8.355 -0.304 18220
60 1 . 1 1 22 22 THR N N 13 118.298 118.298 116.718 1.580 18220
61 1 . 1 1 22 22 THR HA H 13 4.660 4.660 3.920 0.740 18220
62 1 . 1 1 22 22 THR C C 13 173.734 173.734 176.565 -2.831 18220
63 1 . 1 1 22 22 THR CA C 13 66.300 66.300 67.149 -0.849 18220
64 1 . 1 1 22 22 THR CB C 13 67.775 67.775 68.672 -0.897 18220
65 1 . 1 1 22 22 THR H H 13 7.944 7.944 8.046 -0.102 18220
66 1 . 1 1 23 23 PHE N N 14 121.328 121.328 121.404 -0.075 18220
67 1 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.092 0.248 18220
68 1 . 1 1 23 23 PHE C C 14 174.783 174.783 177.800 -3.018 18220
69 1 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.584 -1.083 18220
70 1 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.679 -0.054 18220
71 1 . 1 1 23 23 PHE H H 14 8.567 8.567 8.337 0.230 18220
72 1 . 1 1 24 24 GLY N N 15 106.871 106.871 106.468 0.403 18220
73 1 . 1 1 24 24 GLY C C 15 172.858 172.858 176.183 -3.325 18220
74 1 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.225 -0.325 18220
75 1 . 1 1 24 24 GLY H H 15 8.475 8.475 8.495 -0.020 18220
76 1 . 1 1 25 25 SER N N 16 116.214 116.214 118.236 -2.022 18220
77 1 . 1 1 25 25 SER HA H 16 4.280 4.280 4.071 0.209 18220
78 1 . 1 1 25 25 SER CA C 16 60.300 60.300 61.737 -1.437 18220
79 1 . 1 1 25 25 SER CB C 16 62.879 62.879 63.044 -0.165 18220
80 1 . 1 1 25 25 SER H H 16 7.963 7.963 8.201 -0.238 18220
81 1 . 1 1 26 26 ILE N N 17 121.024 121.024 121.177 -0.153 18220
82 1 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.656 0.290 18220
83 1 . 1 1 26 26 ILE C C 17 173.935 173.935 178.323 -4.388 18220
84 1 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.731 -1.631 18220
85 1 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.598 0.509 18220
86 1 . 1 1 26 26 ILE H H 17 7.676 7.676 8.300 -0.624 18220
87 1 . 1 1 27 27 PHE N N 18 117.142 117.142 119.736 -2.594 18220
88 1 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.191 0.239 18220
89 1 . 1 1 27 27 PHE C C 18 173.504 173.504 177.265 -3.761 18220
90 1 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.835 -2.335 18220
91 1 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.791 -0.018 18220
92 1 . 1 1 27 27 PHE H H 18 7.703 7.703 8.293 -0.590 18220
93 1 . 1 1 28 28 GLY N N 19 107.303 107.303 104.746 2.557 18220
94 1 . 1 1 28 28 GLY C C 19 171.593 171.593 174.124 -2.531 18220
95 1 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.417 0.183 18220
96 1 . 1 1 28 28 GLY H H 19 7.722 7.722 7.698 0.024 18220
97 1 . 1 1 29 29 TYR N N 20 119.862 119.862 118.975 0.887 18220
98 1 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.196 0.196 18220
99 1 . 1 1 29 29 TYR C C 20 173.174 173.174 174.478 -1.304 18220
100 1 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.941 -0.441 18220
101 1 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.944 0.460 18220
102 1 . 1 1 29 29 TYR H H 20 7.880 7.880 7.881 -0.001 18220
103 1 . 1 1 30 30 LYS N N 21 122.335 122.335 122.928 -0.593 18220
104 1 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.436 -0.046 18220
105 1 . 1 1 30 30 LYS C C 21 173.547 173.547 175.651 -2.105 18220
106 1 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.134 -0.334 18220
107 1 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.546 -1.150 18220
108 1 . 1 1 30 30 LYS H H 21 7.934 7.934 8.103 -0.169 18220
109 1 . 1 1 31 31 ARG N N 22 120.612 120.612 120.616 -0.004 18220
110 1 . 1 1 31 31 ARG C C 22 173.547 173.547 175.563 -2.016 18220
111 1 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.637 -0.802 18220
112 1 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.760 -0.659 18220
113 1 . 1 1 31 31 ARG H H 22 7.905 7.905 8.383 -0.478 18220
114 1 . 1 1 32 32 ARG N N 23 121.748 121.748 120.043 1.705 18220
115 1 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.326 -0.016 18220
116 1 . 1 1 32 32 ARG C C 23 173.863 173.863 175.458 -1.595 18220
117 1 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.377 -0.577 18220
118 1 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.955 -0.710 18220
119 1 . 1 1 32 32 ARG H H 23 8.175 8.175 8.366 -0.191 18220
120 1 . 1 1 33 33 GLY N N 24 109.528 109.528 109.033 0.495 18220
121 1 . 1 1 33 33 GLY C C 24 171.752 171.752 173.699 -1.947 18220
122 1 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.909 -0.009 18220
123 1 . 1 1 33 33 GLY H H 24 8.264 8.264 8.390 -0.126 18220
124 1 . 1 1 34 34 GLY N N 25 108.563 108.563 108.569 -0.006 18220
125 1 . 1 1 34 34 GLY C C 25 171.701 171.701 174.010 -2.309 18220
126 1 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.010 -0.410 18220
127 1 . 1 1 34 34 GLY H H 25 8.208 8.208 8.250 -0.042 18220
128 1 . 1 1 35 35 VAL N N 26 121.164 121.164 120.805 0.359 18220
129 1 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.171 -0.161 18220
130 1 . 1 1 35 35 VAL C C 26 175.888 175.888 174.381 1.507 18220
131 1 . 1 1 35 35 VAL CA C 26 63.900 63.900 61.172 2.728 18220
132 1 . 1 1 35 35 VAL CB C 26 30.690 30.690 32.311 -1.621 18220
133 1 . 1 1 35 35 VAL H H 26 8.485 8.485 8.092 0.393 18220
134 1 . 1 1 36 36 PRO C C 27 177.660 177.660 176.611 1.049 18220
135 1 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.350 -1.503 18220
136 1 . 1 1 37 37 SER N N 28 116.023 116.023 114.366 1.657 18220
137 1 . 1 1 37 37 SER HA H 28 4.280 4.280 4.330 -0.050 18220
138 1 . 1 1 37 37 SER CA C 28 61.100 61.100 59.442 1.658 18220
139 1 . 1 1 37 37 SER H H 28 7.948 7.948 8.206 -0.258 18220
140 1 . 1 1 38 38 LEU N N 29 124.029 124.029 123.725 0.304 18220
141 1 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.987 0.183 18220
142 1 . 1 1 38 38 LEU C C 29 176.132 176.132 178.392 -2.260 18220
143 1 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.236 -0.736 18220
144 1 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.827 0.211 18220
145 1 . 1 1 38 38 LEU H H 29 8.201 8.201 8.243 -0.042 18220
146 1 . 1 1 39 39 ILE N N 30 117.098 117.098 117.956 -0.858 18220
147 1 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.655 0.715 18220
148 1 . 1 1 39 39 ILE C C 30 176.478 176.478 177.570 -1.092 18220
149 1 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.763 -1.684 18220
150 1 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.003 -0.030 18220
151 1 . 1 1 39 39 ILE H H 30 7.662 7.662 7.805 -0.143 18220
152 1 . 1 1 40 40 ALA N N 31 122.447 122.447 121.664 0.783 18220
153 1 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.071 -0.037 18220
154 1 . 1 1 40 40 ALA C C 31 177.067 177.067 179.867 -2.800 18220
155 1 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.315 0.647 18220
156 1 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.755 0.101 18220
157 1 . 1 1 40 40 ALA H H 31 8.096 8.096 7.947 0.149 18220
158 1 . 1 1 41 41 GLY N N 32 104.056 104.056 106.772 -2.716 18220
159 1 . 1 1 41 41 GLY C C 32 174.251 174.251 176.262 -2.011 18220
160 1 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.761 -0.261 18220
161 1 . 1 1 41 41 GLY H H 32 8.123 8.123 8.002 0.121 18220
162 1 . 1 1 42 42 LEU N N 33 123.250 123.250 123.410 -0.160 18220
163 1 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.158 -0.301 18220
164 1 . 1 1 42 42 LEU C C 33 176.033 176.033 178.493 -2.460 18220
165 1 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.823 -1.155 18220
166 1 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.879 -0.158 18220
167 1 . 1 1 42 42 LEU H H 33 7.914 7.914 8.055 -0.141 18220
168 1 . 1 1 43 43 PHE N N 34 119.757 119.757 119.552 0.205 18220
169 1 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.114 0.086 18220
170 1 . 1 1 43 43 PHE C C 34 174.374 174.374 177.807 -3.433 18220
171 1 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.486 -2.610 18220
172 1 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.793 0.041 18220
173 1 . 1 1 43 43 PHE H H 34 8.287 8.287 8.581 -0.294 18220
174 1 . 1 1 44 44 VAL N N 35 117.791 117.791 118.662 -0.871 18220
175 1 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.680 -0.070 18220
176 1 . 1 1 44 44 VAL C C 35 176.205 176.205 178.083 -1.878 18220
177 1 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.903 -2.344 18220
178 1 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.369 0.063 18220
179 1 . 1 1 44 44 VAL H H 35 8.235 8.235 8.463 -0.228 18220
180 1 . 1 1 45 45 GLY N N 36 108.551 108.551 107.374 1.177 18220
181 1 . 1 1 45 45 GLY C C 36 173.749 173.749 175.905 -2.156 18220
182 1 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.477 -1.394 18220
183 1 . 1 1 45 45 GLY H H 36 8.178 8.178 8.226 -0.048 18220
184 1 . 1 1 46 46 CYS N N 37 121.173 121.173 120.991 0.182 18220
185 1 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.061 0.119 18220
186 1 . 1 1 46 46 CYS C C 37 173.710 173.710 176.837 -3.127 18220
187 1 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.541 -0.541 18220
188 1 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.335 32.948 18220
189 1 . 1 1 46 46 CYS H H 37 8.253 8.253 8.151 0.102 18220
190 1 . 1 1 47 47 LEU N N 38 120.283 120.283 121.078 -0.795 18220
191 1 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.799 0.261 18220
192 1 . 1 1 47 47 LEU C C 38 176.679 176.679 178.591 -1.912 18220
193 1 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.189 -2.162 18220
194 1 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.703 -0.239 18220
195 1 . 1 1 47 47 LEU H H 38 7.965 7.965 8.122 -0.157 18220
196 1 . 1 1 48 48 ALA N N 39 122.249 122.249 120.230 2.019 18220
197 1 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.002 0.141 18220
198 1 . 1 1 48 48 ALA C C 39 177.915 177.915 179.704 -1.789 18220
199 1 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.319 -1.602 18220
200 1 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.081 -0.095 18220
201 1 . 1 1 48 48 ALA H H 39 8.066 8.066 8.328 -0.262 18220
202 1 . 1 1 49 49 GLY N N 40 107.377 107.377 107.352 0.025 18220
203 1 . 1 1 49 49 GLY C C 40 172.527 172.527 175.867 -3.340 18220
204 1 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.113 -1.663 18220
205 1 . 1 1 49 49 GLY H H 40 8.172 8.172 8.235 -0.063 18220
206 1 . 1 1 50 50 TYR N N 41 122.409 122.409 123.578 -1.169 18220
207 1 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.030 -0.231 18220
208 1 . 1 1 50 50 TYR C C 41 174.208 174.208 178.365 -4.157 18220
209 1 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.259 -2.014 18220
210 1 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.123 -0.187 18220
211 1 . 1 1 50 50 TYR H H 41 7.800 7.800 8.377 -0.577 18220
212 1 . 1 1 51 51 GLY N N 42 106.935 106.935 105.901 1.034 18220
213 1 . 1 1 51 51 GLY C C 42 172.642 172.642 175.711 -3.069 18220
214 1 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.967 -0.702 18220
215 1 . 1 1 51 51 GLY H H 42 8.199 8.199 8.256 -0.057 18220
216 1 . 1 1 52 52 ALA N N 43 123.018 123.018 124.868 -1.850 18220
217 1 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.069 0.081 18220
218 1 . 1 1 52 52 ALA C C 43 176.398 176.398 179.161 -2.763 18220
219 1 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.550 -1.667 18220
220 1 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.411 -0.170 18220
221 1 . 1 1 52 52 ALA H H 43 7.758 7.758 8.263 -0.505 18220
222 1 . 1 1 53 53 TYR N N 44 119.664 119.664 118.459 1.205 18220
223 1 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.315 0.003 18220
224 1 . 1 1 53 53 TYR C C 44 174.180 174.180 177.482 -3.302 18220
225 1 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.558 -1.965 18220
226 1 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.632 -0.440 18220
227 1 . 1 1 53 53 TYR H H 44 7.920 7.920 8.028 -0.108 18220
228 1 . 1 1 54 54 ARG N N 45 119.516 119.516 118.772 0.744 18220
229 1 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.071 -0.142 18220
230 1 . 1 1 54 54 ARG C C 45 174.423 174.423 177.274 -2.851 18220
231 1 . 1 1 54 54 ARG CA C 45 56.027 56.027 58.086 -2.059 18220
232 1 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.027 -0.854 18220
233 1 . 1 1 54 54 ARG H H 45 7.956 7.956 7.966 -0.010 18220
234 1 . 1 1 55 55 VAL N N 46 116.437 116.437 117.334 -0.897 18220
235 1 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.990 0.070 18220
236 1 . 1 1 55 55 VAL C C 46 173.806 173.806 175.326 -1.520 18220
237 1 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.037 -0.737 18220
238 1 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.350 0.171 18220
239 1 . 1 1 55 55 VAL H H 46 7.489 7.489 8.109 -0.620 18220
240 1 . 1 1 56 56 SER N N 47 117.185 117.185 116.439 0.746 18220
241 1 . 1 1 56 56 SER HA H 47 4.401 4.401 4.338 0.063 18220
242 1 . 1 1 56 56 SER C C 47 172.074 172.074 173.731 -1.657 18220
243 1 . 1 1 56 56 SER CA C 47 58.133 58.133 58.943 -0.810 18220
244 1 . 1 1 56 56 SER CB C 47 63.468 63.468 63.623 -0.155 18220
245 1 . 1 1 56 56 SER H H 47 7.728 7.728 8.072 -0.344 18220
246 1 . 1 1 57 57 ASN N N 48 121.049 121.049 120.174 0.875 18220
247 1 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.666 -0.076 18220
248 1 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.664 -0.064 18220
249 1 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.205 -0.564 18220
250 1 . 1 1 57 57 ASN H H 48 8.228 8.228 8.451 -0.223 18220
251 1 . 1 1 58 58 ASP N N 49 120.276 120.276 120.037 0.238 18220
252 1 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.511 0.019 18220
253 1 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.821 -0.619 18220
254 1 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.110 -0.736 18220
255 1 . 1 1 58 58 ASP H H 49 8.192 8.192 8.299 -0.106 18220
256 1 . 1 1 59 59 LYS N N 50 120.660 120.660 119.838 0.822 18220
257 1 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.234 -0.034 18220
258 1 . 1 1 59 59 LYS C C 50 173.474 173.474 175.309 -1.835 18220
259 1 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.689 -0.389 18220
260 1 . 1 1 59 59 LYS CB C 50 32.034 32.034 33.382 -1.348 18220
261 1 . 1 1 59 59 LYS H H 50 8.003 8.003 8.098 -0.095 18220
262 1 . 1 1 60 60 ARG N N 51 121.278 121.278 119.985 1.293 18220
263 1 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.412 -0.212 18220
264 1 . 1 1 60 60 ARG C C 51 173.303 173.303 174.726 -1.423 18220
265 1 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.395 -0.112 18220
266 1 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.404 -1.166 18220
267 1 . 1 1 60 60 ARG H H 51 8.091 8.091 8.393 -0.302 18220
268 1 . 1 1 61 61 ASP N N 52 121.185 121.185 121.228 -0.043 18220
269 1 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.658 -0.043 18220
270 1 . 1 1 61 61 ASP C C 52 173.777 173.777 175.849 -2.072 18220
271 1 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.542 -0.563 18220
272 1 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.399 -1.154 18220
273 1 . 1 1 61 61 ASP H H 52 8.261 8.261 8.323 -0.062 18220
274 1 . 1 1 62 62 VAL N N 53 121.902 121.902 119.847 2.055 18220
275 1 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.905 0.044 18220
276 1 . 1 1 62 62 VAL C C 53 173.279 173.279 176.411 -3.132 18220
277 1 . 1 1 62 62 VAL CA C 53 63.176 63.176 64.091 -0.915 18220
278 1 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.692 0.407 18220
279 1 . 1 1 62 62 VAL H H 53 7.997 7.997 8.179 -0.182 18220
280 1 . 1 1 63 63 LYS N N 54 123.522 123.522 121.393 2.129 18220
281 1 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.127 0.133 18220
282 1 . 1 1 63 63 LYS C C 54 174.481 174.481 178.312 -3.831 18220
283 1 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.300 -2.953 18220
284 1 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.270 -0.171 18220
285 1 . 1 1 63 63 LYS H H 54 8.054 8.054 8.173 -0.119 18220
286 1 . 1 1 64 64 VAL N N 55 120.647 120.647 118.611 2.036 18220
287 1 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.648 0.299 18220
288 1 . 1 1 64 64 VAL C C 55 174.955 174.955 177.954 -2.999 18220
289 1 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.177 -1.578 18220
290 1 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.122 0.755 18220
291 1 . 1 1 64 64 VAL H H 55 8.225 8.225 8.096 0.129 18220
292 1 . 1 1 65 65 SER N N 56 117.785 117.785 114.835 2.949 18220
293 1 . 1 1 65 65 SER HA H 56 4.390 4.390 4.172 0.218 18220
294 1 . 1 1 65 65 SER C C 56 172.300 172.300 176.764 -4.464 18220
295 1 . 1 1 65 65 SER CA C 56 60.000 60.000 62.045 -2.045 18220
296 1 . 1 1 65 65 SER CB C 56 62.879 62.879 62.752 0.127 18220
297 1 . 1 1 65 65 SER H H 56 8.260 8.260 8.113 0.147 18220
298 1 . 1 1 66 66 LEU N N 57 123.318 123.318 122.087 1.231 18220
299 1 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.088 0.002 18220
300 1 . 1 1 66 66 LEU C C 57 175.932 175.932 178.696 -2.764 18220
301 1 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.050 -0.548 18220
302 1 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.793 -0.072 18220
303 1 . 1 1 66 66 LEU H H 57 8.091 8.091 7.789 0.302 18220
304 1 . 1 1 67 67 PHE N N 58 118.020 118.020 118.426 -0.406 18220
305 1 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.391 -0.061 18220
306 1 . 1 1 67 67 PHE C C 58 174.912 174.912 177.831 -2.919 18220
307 1 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.604 -1.004 18220
308 1 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.841 -0.289 18220
309 1 . 1 1 67 67 PHE H H 58 8.066 8.066 8.460 -0.394 18220
310 1 . 1 1 68 68 THR N N 59 115.324 115.324 117.537 -2.213 18220
311 1 . 1 1 68 68 THR HA H 59 4.310 4.310 4.109 0.201 18220
312 1 . 1 1 68 68 THR C C 59 173.380 173.380 176.380 -3.000 18220
313 1 . 1 1 68 68 THR CA C 59 66.313 66.313 67.421 -1.108 18220
314 1 . 1 1 68 68 THR CB C 59 67.700 67.700 68.736 -1.036 18220
315 1 . 1 1 68 68 THR H H 59 8.287 8.287 8.330 -0.043 18220
316 1 . 1 1 69 69 ALA N N 60 123.621 123.621 124.548 -0.927 18220
317 1 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.199 0.081 18220
318 1 . 1 1 69 69 ALA C C 60 176.978 176.978 179.250 -2.272 18220
319 1 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.124 -0.024 18220
320 1 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.155 -0.427 18220
321 1 . 1 1 69 69 ALA H H 60 7.983 7.983 8.453 -0.470 18220
322 1 . 1 1 70 70 PHE N N 61 118.520 118.520 120.082 -1.562 18220
323 1 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.113 0.147 18220
324 1 . 1 1 70 70 PHE C C 61 175.369 175.369 177.130 -1.761 18220
325 1 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.760 -1.581 18220
326 1 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.113 -0.407 18220
327 1 . 1 1 70 70 PHE H H 61 8.007 8.007 8.357 -0.350 18220
328 1 . 1 1 71 71 PHE N N 62 122.314 122.314 119.312 3.002 18220
329 1 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.083 -0.083 18220
330 1 . 1 1 71 71 PHE C C 62 174.697 174.697 177.494 -2.797 18220
331 1 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.572 -1.055 18220
332 1 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.996 -0.226 18220
333 1 . 1 1 71 71 PHE H H 62 8.546 8.546 8.250 0.296 18220
334 1 . 1 1 72 72 LEU N N 63 119.399 119.399 120.765 -1.366 18220
335 1 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.787 0.083 18220
336 1 . 1 1 72 72 LEU C C 63 175.774 175.774 178.610 -2.836 18220
337 1 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.334 -1.409 18220
338 1 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.459 -0.252 18220
339 1 . 1 1 72 72 LEU H H 63 8.396 8.396 8.362 0.034 18220
340 1 . 1 1 73 73 ALA N N 64 120.221 120.221 120.311 -0.090 18220
341 1 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.796 0.164 18220
342 1 . 1 1 73 73 ALA C C 64 177.267 177.267 179.457 -2.190 18220
343 1 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.314 -0.714 18220
344 1 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.940 -0.156 18220
345 1 . 1 1 73 73 ALA H H 64 8.025 8.025 8.328 -0.303 18220
346 1 . 1 1 74 74 THR N N 65 113.648 113.648 113.959 -0.311 18220
347 1 . 1 1 74 74 THR HA H 65 3.980 3.980 3.871 0.109 18220
348 1 . 1 1 74 74 THR CA C 65 66.291 66.291 66.406 -0.115 18220
349 1 . 1 1 74 74 THR CB C 65 67.914 67.914 68.460 -0.546 18220
350 1 . 1 1 74 74 THR H H 65 7.717 7.717 7.907 -0.190 18220
351 1 . 1 1 75 75 ILE N N 66 120.291 120.291 119.407 0.884 18220
352 1 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.736 0.004 18220
353 1 . 1 1 75 75 ILE C C 66 174.951 174.951 176.976 -2.025 18220
354 1 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.080 1.800 18220
355 1 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.761 -0.596 18220
356 1 . 1 1 75 75 ILE H H 66 7.738 7.738 7.752 -0.014 18220
357 1 . 1 1 76 76 MET N N 67 117.618 117.618 117.740 -0.122 18220
358 1 . 1 1 76 76 MET HA H 67 4.220 4.220 4.309 -0.089 18220
359 1 . 1 1 76 76 MET C C 67 175.142 175.142 177.123 -1.981 18220
360 1 . 1 1 76 76 MET CA C 67 56.723 56.723 57.354 -0.631 18220
361 1 . 1 1 76 76 MET CB C 67 31.951 31.951 33.867 -1.916 18220
362 1 . 1 1 76 76 MET H H 67 7.823 7.823 7.949 -0.126 18220
363 1 . 1 1 77 77 GLY N N 68 107.110 107.110 106.409 0.701 18220
364 1 . 1 1 77 77 GLY C C 68 172.260 172.260 173.278 -1.018 18220
365 1 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.080 0.720 18220
366 1 . 1 1 77 77 GLY H H 68 7.937 7.937 8.335 -0.398 18220
367 1 . 1 1 78 78 VAL N N 69 120.431 120.431 119.683 0.748 18220
368 1 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.238 -0.018 18220
369 1 . 1 1 78 78 VAL CA C 69 63.900 63.900 61.384 2.517 18220
370 1 . 1 1 78 78 VAL CB C 69 31.506 31.506 32.907 -1.401 18220
371 1 . 1 1 78 78 VAL H H 69 7.697 7.697 7.927 -0.230 18220
372 1 . 1 1 79 79 ARG N N 70 121.420 121.420 123.582 -2.162 18220
373 1 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.319 -0.509 18220
374 1 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.552 -0.152 18220
375 1 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.413 -0.316 18220
376 1 . 1 1 79 79 ARG H H 70 7.889 7.889 8.280 -0.391 18220
377 1 . 1 1 80 80 PHE N N 71 119.949 119.949 119.864 0.084 18220
378 1 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.405 0.105 18220
379 1 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.284 0.316 18220
380 1 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.110 0.035 18220
381 1 . 1 1 80 80 PHE H H 71 8.101 8.101 8.182 -0.081 18220
382 1 . 1 1 81 81 LYS N N 72 122.193 122.193 121.072 1.121 18220
383 1 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.211 0.589 18220
384 1 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.293 -0.971 18220
385 1 . 1 1 81 81 LYS H H 72 8.090 8.090 8.048 0.042 18220
386 1 . 1 1 82 82 ARG N N 73 119.650 119.650 120.899 -1.249 18220
387 1 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.557 -0.468 18220
388 1 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.493 -0.322 18220
389 1 . 1 1 82 82 ARG H H 73 8.052 8.052 8.452 -0.400 18220
390 1 . 1 1 83 83 SER N N 74 115.734 115.734 116.693 -0.959 18220
391 1 . 1 1 83 83 SER CA C 74 58.355 58.355 58.159 0.196 18220
392 1 . 1 1 83 83 SER CB C 74 63.404 63.404 64.387 -0.983 18220
393 1 . 1 1 83 83 SER H H 74 7.912 7.912 8.210 -0.298 18220
394 1 . 1 1 84 84 LYS N N 75 122.370 122.370 121.877 0.493 18220
395 1 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.572 -0.437 18220
396 1 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.911 -0.736 18220
397 1 . 1 1 84 84 LYS H H 75 8.067 8.067 8.377 -0.310 18220
398 1 . 1 1 86 86 ILE N N 77 119.592 119.592 119.751 -0.159 18220
399 1 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.023 -0.213 18220
400 1 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.810 3.090 18220
401 1 . 1 1 86 86 ILE CB C 77 39.145 39.145 37.582 1.563 18220
402 1 . 1 1 86 86 ILE H H 77 7.837 7.837 8.217 -0.380 18220
403 1 . 1 1 87 87 MET N N 78 121.645 121.645 121.117 0.528 18220
404 1 . 1 1 87 87 MET CA C 78 52.982 52.982 56.295 -3.313 18220
405 1 . 1 1 87 87 MET CB C 78 32.173 32.173 32.494 -0.321 18220
406 1 . 1 1 87 87 MET H H 78 7.950 7.950 8.213 -0.263 18220
407 1 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.461 -0.321 18220
408 1 . 1 1 88 88 PRO C C 79 173.921 173.921 177.265 -3.344 18220
409 1 . 1 1 88 88 PRO CA C 79 62.800 62.800 64.151 -1.351 18220
410 1 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.069 0.066 18220
411 1 . 1 1 89 89 ALA N N 80 124.431 124.431 123.107 1.324 18220
412 1 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.049 0.351 18220
413 1 . 1 1 89 89 ALA C C 80 176.234 176.234 179.564 -3.330 18220
414 1 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.973 -1.673 18220
415 1 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.398 0.100 18220
416 1 . 1 1 89 89 ALA H H 80 8.320 8.320 8.352 -0.032 18220
417 1 . 1 1 90 90 GLY N N 81 106.834 106.834 107.358 -0.524 18220
418 1 . 1 1 90 90 GLY C C 81 172.398 172.398 176.124 -3.726 18220
419 1 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.225 -1.625 18220
420 1 . 1 1 90 90 GLY H H 81 8.458 8.458 8.404 0.054 18220
421 1 . 1 1 91 91 LEU N N 82 121.043 121.043 122.116 -1.073 18220
422 1 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.983 0.217 18220
423 1 . 1 1 91 91 LEU C C 82 174.783 174.783 178.783 -4.000 18220
424 1 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.806 -1.506 18220
425 1 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.779 0.327 18220
426 1 . 1 1 91 91 LEU H H 82 7.687 7.687 7.689 -0.002 18220
427 1 . 1 1 92 92 VAL N N 83 114.737 114.737 118.274 -3.537 18220
428 1 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.561 0.419 18220
429 1 . 1 1 92 92 VAL C C 83 173.634 173.634 177.846 -4.212 18220
430 1 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.151 -3.751 18220
431 1 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.898 0.687 18220
432 1 . 1 1 92 92 VAL H H 83 7.602 7.602 7.809 -0.206 18220
433 1 . 1 1 93 93 ALA N N 84 124.320 124.320 121.682 2.638 18220
434 1 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.130 0.020 18220
435 1 . 1 1 93 93 ALA C C 84 175.746 175.746 179.804 -4.058 18220
436 1 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.218 -1.918 18220
437 1 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.045 0.195 18220
438 1 . 1 1 93 93 ALA H H 84 7.891 7.891 8.202 -0.311 18220
439 1 . 1 1 94 94 GLY N N 85 106.807 106.807 108.272 -1.465 18220
440 1 . 1 1 94 94 GLY C C 85 171.752 171.752 175.913 -4.161 18220
441 1 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.819 -1.570 18220
442 1 . 1 1 94 94 GLY H H 85 8.204 8.204 8.147 0.057 18220
443 1 . 1 1 95 95 LEU N N 86 121.266 121.266 122.620 -1.354 18220
444 1 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.995 0.385 18220
445 1 . 1 1 95 95 LEU C C 86 173.702 173.702 178.993 -5.291 18220
446 1 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.841 -2.841 18220
447 1 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.426 0.872 18220
448 1 . 1 1 95 95 LEU H H 86 7.718 7.718 8.342 -0.624 18220
449 1 . 1 1 96 96 SER N N 87 115.658 115.658 114.953 0.705 18220
450 1 . 1 1 96 96 SER HA H 87 4.370 4.370 4.138 0.232 18220
451 1 . 1 1 96 96 SER C C 87 172.479 172.479 176.657 -4.178 18220
452 1 . 1 1 96 96 SER CA C 87 57.200 57.200 61.952 -4.752 18220
453 1 . 1 1 96 96 SER CB C 87 64.174 64.174 63.032 1.142 18220
454 1 . 1 1 96 96 SER H H 87 7.659 7.659 8.070 -0.411 18220
455 1 . 1 1 97 97 LEU N N 88 123.720 123.720 122.592 1.128 18220
456 1 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.927 0.673 18220
457 1 . 1 1 97 97 LEU C C 88 175.932 175.932 178.844 -2.912 18220
458 1 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.170 -0.570 18220
459 1 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.707 -0.307 18220
460 1 . 1 1 97 97 LEU H H 88 8.733 8.733 8.078 0.655 18220
461 1 . 1 1 98 98 MET N N 89 116.684 116.684 118.017 -1.333 18220
462 1 . 1 1 98 98 MET HA H 89 4.280 4.280 3.980 0.300 18220
463 1 . 1 1 98 98 MET C C 89 175.789 175.789 178.575 -2.786 18220
464 1 . 1 1 98 98 MET CA C 89 56.915 56.915 58.980 -2.065 18220
465 1 . 1 1 98 98 MET CB C 89 31.007 31.007 32.342 -1.335 18220
466 1 . 1 1 98 98 MET H H 89 8.342 8.342 8.216 0.126 18220
467 1 . 1 1 99 99 MET N N 90 119.182 119.182 119.474 -0.292 18220
468 1 . 1 1 99 99 MET HA H 90 4.110 4.110 4.008 0.102 18220
469 1 . 1 1 99 99 MET C C 90 175.588 175.588 178.617 -3.029 18220
470 1 . 1 1 99 99 MET CA C 90 57.951 57.951 59.407 -1.456 18220
471 1 . 1 1 99 99 MET CB C 90 32.226 32.226 32.412 -0.186 18220
472 1 . 1 1 99 99 MET H H 90 7.720 7.720 8.015 -0.295 18220
473 1 . 1 1 100 100 ILE N N 91 119.077 119.077 119.388 -0.311 18220
474 1 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.631 0.479 18220
475 1 . 1 1 100 100 ILE C C 91 174.634 174.634 178.166 -3.532 18220
476 1 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.977 -0.877 18220
477 1 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.285 -0.142 18220
478 1 . 1 1 100 100 ILE H H 91 7.662 7.662 8.199 -0.537 18220
479 1 . 1 1 101 101 LEU N N 92 119.646 119.646 119.490 0.156 18220
480 1 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.938 0.592 18220
481 1 . 1 1 101 101 LEU C C 92 175.430 175.430 179.203 -3.773 18220
482 1 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.191 -0.391 18220
483 1 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.349 -0.591 18220
484 1 . 1 1 101 101 LEU H H 92 8.142 8.142 8.177 -0.035 18220
485 1 . 1 1 102 102 ARG N N 93 116.394 116.394 118.848 -2.454 18220
486 1 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.069 0.071 18220
487 1 . 1 1 102 102 ARG C C 93 175.961 175.961 178.552 -2.591 18220
488 1 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.826 0.274 18220
489 1 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.837 -0.433 18220
490 1 . 1 1 102 102 ARG H H 93 7.893 7.893 8.099 -0.206 18220
491 1 . 1 1 103 103 LEU N N 94 119.114 119.114 120.715 -1.601 18220
492 1 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.020 0.090 18220
493 1 . 1 1 103 103 LEU C C 94 175.889 175.889 178.826 -2.937 18220
494 1 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.289 -0.989 18220
495 1 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.702 -0.406 18220
496 1 . 1 1 103 103 LEU H H 94 7.622 7.622 8.039 -0.417 18220
497 1 . 1 1 104 104 VAL N N 95 117.704 117.704 117.710 -0.006 18220
498 1 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.745 -0.215 18220
499 1 . 1 1 104 104 VAL C C 95 175.042 175.042 177.977 -2.935 18220
500 1 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.730 0.689 18220
501 1 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.665 -0.308 18220
502 1 . 1 1 104 104 VAL H H 95 8.026 8.026 7.440 0.586 18220
503 1 . 1 1 105 105 LEU N N 96 117.185 117.185 120.940 -3.755 18220
504 1 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.941 0.039 18220
505 1 . 1 1 105 105 LEU C C 96 176.579 176.579 178.832 -2.253 18220
506 1 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.985 -1.185 18220
507 1 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.368 -0.418 18220
508 1 . 1 1 105 105 LEU H H 96 7.893 7.893 7.747 0.146 18220
509 1 . 1 1 106 106 LEU N N 97 118.471 118.471 119.438 -0.967 18220
510 1 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.934 0.246 18220
511 1 . 1 1 106 106 LEU C C 97 175.802 175.802 178.620 -2.818 18220
512 1 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.698 -1.398 18220
513 1 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.802 -0.210 18220
514 1 . 1 1 106 106 LEU H H 97 7.545 7.545 8.017 -0.472 18220
515 1 . 1 1 107 107 LEU N N 98 118.162 118.162 118.746 -0.584 18220
516 1 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.102 0.128 18220
517 1 . 1 1 107 107 LEU C C 98 174.174 174.174 177.930 -3.756 18220
518 1 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.702 -0.419 18220
519 1 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.405 -0.043 18220
520 1 . 1 1 107 107 LEU H H 98 7.688 7.688 7.894 -0.206 18220
stop_
save_