data_18219
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18219
_Entry.PDB_ID 2LOO
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 18219
_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 2 120.536 120.536 123.378 -2.842 18219
2 1 1 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.278 1.640 18219
3 1 1 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.793 -3.834 18219
4 1 1 . 1 1 11 11 ASP H H 2 7.863 7.863 8.302 -0.439 18219
5 1 1 . 1 1 12 12 LEU N N 3 121.414 121.414 122.677 -1.263 18219
6 1 1 . 1 1 12 12 LEU C C 3 176.162 176.162 178.719 -2.557 18219
7 1 1 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.505 2.095 18219
8 1 1 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.761 -1.104 18219
9 1 1 . 1 1 12 12 LEU H H 3 8.285 8.285 8.057 0.228 18219
10 1 1 . 1 1 13 13 ILE N N 4 118.854 118.854 118.973 -0.119 18219
11 1 1 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.846 -0.106 18219
12 1 1 . 1 1 13 13 ILE C C 4 175.228 175.228 177.507 -2.279 18219
13 1 1 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.605 0.895 18219
14 1 1 . 1 1 13 13 ILE CB C 4 37.102 37.102 37.766 -0.663 18219
15 1 1 . 1 1 13 13 ILE H H 4 8.031 8.031 7.980 0.051 18219
16 1 1 . 1 1 14 14 GLY N N 5 107.478 107.478 106.531 0.947 18219
17 1 1 . 1 1 14 14 GLY C C 5 174.424 174.424 176.146 -1.722 18219
18 1 1 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.727 0.332 18219
19 1 1 . 1 1 14 14 GLY H H 5 8.148 8.148 8.175 -0.027 18219
20 1 1 . 1 1 15 15 PHE N N 6 122.774 122.774 124.208 -1.434 18219
21 1 1 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.299 0.181 18219
22 1 1 . 1 1 15 15 PHE C C 6 175.113 175.113 177.308 -2.195 18219
23 1 1 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.548 -1.532 18219
24 1 1 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.694 0.080 18219
25 1 1 . 1 1 15 15 PHE H H 6 8.194 8.194 8.625 -0.431 18219
26 1 1 . 1 1 16 16 GLY N N 7 107.938 107.938 106.952 0.986 18219
27 1 1 . 1 1 16 16 GLY C C 7 171.838 171.838 175.765 -3.927 18219
28 1 1 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.649 -0.549 18219
29 1 1 . 1 1 16 16 GLY H H 7 8.697 8.697 8.460 0.237 18219
30 1 1 . 1 1 17 17 TYR N N 8 121.785 121.785 122.964 -1.179 18219
31 1 1 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.110 0.040 18219
32 1 1 . 1 1 17 17 TYR C C 8 174.180 174.180 177.680 -3.500 18219
33 1 1 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.562 -0.262 18219
34 1 1 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.289 -0.330 18219
35 1 1 . 1 1 17 17 TYR H H 8 8.710 8.710 8.362 0.348 18219
36 1 1 . 1 1 18 18 ALA N N 9 120.233 120.233 120.715 -0.482 18219
37 1 1 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.958 -0.008 18219
38 1 1 . 1 1 18 18 ALA C C 9 178.059 178.059 179.104 -1.045 18219
39 1 1 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.477 0.395 18219
40 1 1 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.496 0.066 18219
41 1 1 . 1 1 18 18 ALA H H 9 7.843 7.843 7.815 0.028 18219
42 1 1 . 1 1 19 19 ALA N N 10 121.797 121.797 122.872 -1.075 18219
43 1 1 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.885 0.065 18219
44 1 1 . 1 1 19 19 ALA C C 10 176.191 176.191 179.343 -3.152 18219
45 1 1 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.833 -0.233 18219
46 1 1 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.221 -0.659 18219
47 1 1 . 1 1 19 19 ALA H H 10 8.212 8.212 8.119 0.093 18219
48 1 1 . 1 1 20 20 LEU N N 11 119.442 119.442 117.416 2.026 18219
49 1 1 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.937 0.000 18219
50 1 1 . 1 1 20 20 LEU C C 11 176.694 176.694 178.810 -2.116 18219
51 1 1 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.919 -0.119 18219
52 1 1 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.079 0.143 18219
53 1 1 . 1 1 20 20 LEU H H 11 8.065 8.065 8.191 -0.126 18219
54 1 1 . 1 1 21 21 VAL N N 12 118.323 118.323 120.364 -2.041 18219
55 1 1 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.485 0.155 18219
56 1 1 . 1 1 21 21 VAL C C 12 176.536 176.536 178.485 -1.949 18219
57 1 1 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.086 -1.686 18219
58 1 1 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.829 0.306 18219
59 1 1 . 1 1 21 21 VAL H H 12 8.051 8.051 8.315 -0.264 18219
60 1 1 . 1 1 22 22 THR N N 13 118.298 118.298 116.421 1.877 18219
61 1 1 . 1 1 22 22 THR HA H 13 4.660 4.660 4.006 0.654 18219
62 1 1 . 1 1 22 22 THR C C 13 173.734 173.734 176.460 -2.726 18219
63 1 1 . 1 1 22 22 THR CA C 13 66.300 66.300 66.923 -0.623 18219
64 1 1 . 1 1 22 22 THR CB C 13 67.775 67.775 68.552 -0.777 18219
65 1 1 . 1 1 22 22 THR H H 13 7.944 7.944 7.873 0.071 18219
66 1 1 . 1 1 23 23 PHE N N 14 121.328 121.328 122.252 -0.924 18219
67 1 1 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.195 0.145 18219
68 1 1 . 1 1 23 23 PHE C C 14 174.783 174.783 177.440 -2.657 18219
69 1 1 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.476 -0.976 18219
70 1 1 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.753 -0.127 18219
71 1 1 . 1 1 23 23 PHE H H 14 8.567 8.567 8.408 0.159 18219
72 1 1 . 1 1 24 24 GLY N N 15 106.871 106.871 105.118 1.753 18219
73 1 1 . 1 1 24 24 GLY C C 15 172.858 172.858 176.678 -3.820 18219
74 1 1 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.233 -0.333 18219
75 1 1 . 1 1 24 24 GLY H H 15 8.475 8.475 9.007 -0.532 18219
76 1 1 . 1 1 25 25 SER N N 16 116.214 116.214 118.607 -2.393 18219
77 1 1 . 1 1 25 25 SER HA H 16 4.280 4.280 4.360 -0.080 18219
78 1 1 . 1 1 25 25 SER CA C 16 60.300 60.300 61.759 -1.459 18219
79 1 1 . 1 1 25 25 SER CB C 16 62.879 62.879 63.000 -0.121 18219
80 1 1 . 1 1 25 25 SER H H 16 7.963 7.963 7.999 -0.036 18219
81 1 1 . 1 1 26 26 ILE N N 17 121.024 121.024 121.473 -0.449 18219
82 1 1 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.740 0.206 18219
83 1 1 . 1 1 26 26 ILE C C 17 173.935 173.935 177.476 -3.541 18219
84 1 1 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.150 -2.050 18219
85 1 1 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.191 -0.083 18219
86 1 1 . 1 1 26 26 ILE H H 17 7.676 7.676 7.946 -0.270 18219
87 1 1 . 1 1 27 27 PHE N N 18 117.142 117.142 118.212 -1.070 18219
88 1 1 . 1 1 27 27 PHE HA H 18 4.430 4.430 3.987 0.443 18219
89 1 1 . 1 1 27 27 PHE C C 18 173.504 173.504 177.248 -3.744 18219
90 1 1 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.693 -2.193 18219
91 1 1 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.040 -0.266 18219
92 1 1 . 1 1 27 27 PHE H H 18 7.703 7.703 8.114 -0.411 18219
93 1 1 . 1 1 28 28 GLY N N 19 107.303 107.303 105.840 1.463 18219
94 1 1 . 1 1 28 28 GLY C C 19 171.593 171.593 174.918 -3.325 18219
95 1 1 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.513 0.087 18219
96 1 1 . 1 1 28 28 GLY H H 19 7.722 7.722 7.712 0.010 18219
97 1 1 . 1 1 29 29 TYR N N 20 119.862 119.862 121.560 -1.698 18219
98 1 1 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.128 0.264 18219
99 1 1 . 1 1 29 29 TYR C C 20 173.174 173.174 176.090 -2.916 18219
100 1 1 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.946 -0.446 18219
101 1 1 . 1 1 29 29 TYR CB C 20 38.404 38.404 38.946 -0.542 18219
102 1 1 . 1 1 29 29 TYR H H 20 7.880 7.880 7.810 0.070 18219
103 1 1 . 1 1 30 30 LYS N N 21 122.335 122.335 123.470 -1.135 18219
104 1 1 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.103 0.287 18219
105 1 1 . 1 1 30 30 LYS C C 21 173.547 173.547 176.758 -3.211 18219
106 1 1 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.191 -1.391 18219
107 1 1 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.120 -0.724 18219
108 1 1 . 1 1 30 30 LYS H H 21 7.934 7.934 8.222 -0.288 18219
109 1 1 . 1 1 31 31 ARG N N 22 120.612 120.612 122.269 -1.657 18219
110 1 1 . 1 1 31 31 ARG C C 22 173.547 173.547 176.526 -2.979 18219
111 1 1 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.440 -0.606 18219
112 1 1 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.703 -0.602 18219
113 1 1 . 1 1 31 31 ARG H H 22 7.905 7.905 8.420 -0.515 18219
114 1 1 . 1 1 32 32 ARG N N 23 121.748 121.748 121.652 0.096 18219
115 1 1 . 1 1 32 32 ARG HA H 23 4.310 4.310 3.985 0.325 18219
116 1 1 . 1 1 32 32 ARG C C 23 173.863 173.863 176.363 -2.500 18219
117 1 1 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.401 -1.601 18219
118 1 1 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.207 0.038 18219
119 1 1 . 1 1 32 32 ARG H H 23 8.175 8.175 8.728 -0.553 18219
120 1 1 . 1 1 33 33 GLY N N 24 109.528 109.528 104.457 5.071 18219
121 1 1 . 1 1 33 33 GLY C C 24 171.752 171.752 173.484 -1.732 18219
122 1 1 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.128 0.772 18219
123 1 1 . 1 1 33 33 GLY H H 24 8.264 8.264 7.571 0.693 18219
124 1 1 . 1 1 34 34 GLY N N 25 108.563 108.563 107.314 1.249 18219
125 1 1 . 1 1 34 34 GLY C C 25 171.701 171.701 175.487 -3.786 18219
126 1 1 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.935 -0.335 18219
127 1 1 . 1 1 34 34 GLY H H 25 8.208 8.208 8.174 0.034 18219
128 1 1 . 1 1 35 35 VAL N N 26 121.164 121.164 123.078 -1.914 18219
129 1 1 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.881 0.129 18219
130 1 1 . 1 1 35 35 VAL C C 26 175.888 175.888 175.539 0.349 18219
131 1 1 . 1 1 35 35 VAL CA C 26 63.900 63.900 66.456 -2.556 18219
132 1 1 . 1 1 35 35 VAL CB C 26 30.690 30.690 29.820 0.870 18219
133 1 1 . 1 1 35 35 VAL H H 26 8.485 8.485 8.204 0.281 18219
134 1 1 . 1 1 36 36 PRO C C 27 177.660 177.660 176.013 1.647 18219
135 1 1 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.829 -0.982 18219
136 1 1 . 1 1 37 37 SER N N 28 116.023 116.023 113.530 2.493 18219
137 1 1 . 1 1 37 37 SER HA H 28 4.280 4.280 4.475 -0.195 18219
138 1 1 . 1 1 37 37 SER CA C 28 61.100 61.100 59.193 1.907 18219
139 1 1 . 1 1 37 37 SER H H 28 7.948 7.948 8.200 -0.252 18219
140 1 1 . 1 1 38 38 LEU N N 29 124.029 124.029 121.339 2.690 18219
141 1 1 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.056 0.114 18219
142 1 1 . 1 1 38 38 LEU C C 29 176.132 176.132 178.440 -2.308 18219
143 1 1 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.142 -0.642 18219
144 1 1 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.379 1.659 18219
145 1 1 . 1 1 38 38 LEU H H 29 8.201 8.201 8.022 0.179 18219
146 1 1 . 1 1 39 39 ILE N N 30 117.098 117.098 119.381 -2.283 18219
147 1 1 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.722 0.648 18219
148 1 1 . 1 1 39 39 ILE C C 30 176.478 176.478 178.018 -1.540 18219
149 1 1 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.774 -1.695 18219
150 1 1 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.944 0.029 18219
151 1 1 . 1 1 39 39 ILE H H 30 7.662 7.662 8.043 -0.381 18219
152 1 1 . 1 1 40 40 ALA N N 31 122.447 122.447 122.368 0.079 18219
153 1 1 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.057 -0.023 18219
154 1 1 . 1 1 40 40 ALA C C 31 177.067 177.067 179.683 -2.616 18219
155 1 1 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.023 0.939 18219
156 1 1 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.973 -0.117 18219
157 1 1 . 1 1 40 40 ALA H H 31 8.096 8.096 7.446 0.650 18219
158 1 1 . 1 1 41 41 GLY N N 32 104.056 104.056 108.197 -4.141 18219
159 1 1 . 1 1 41 41 GLY C C 32 174.251 174.251 175.766 -1.515 18219
160 1 1 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.769 -0.269 18219
161 1 1 . 1 1 41 41 GLY H H 32 8.123 8.123 8.185 -0.062 18219
162 1 1 . 1 1 42 42 LEU N N 33 123.250 123.250 123.002 0.248 18219
163 1 1 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.008 -0.151 18219
164 1 1 . 1 1 42 42 LEU C C 33 176.033 176.033 178.365 -2.332 18219
165 1 1 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.954 -1.286 18219
166 1 1 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.988 -0.267 18219
167 1 1 . 1 1 42 42 LEU H H 33 7.914 7.914 8.163 -0.249 18219
168 1 1 . 1 1 43 43 PHE N N 34 119.757 119.757 119.312 0.445 18219
169 1 1 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.061 0.139 18219
170 1 1 . 1 1 43 43 PHE C C 34 174.374 174.374 177.573 -3.199 18219
171 1 1 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.111 -2.235 18219
172 1 1 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.860 -0.026 18219
173 1 1 . 1 1 43 43 PHE H H 34 8.287 8.287 8.265 0.022 18219
174 1 1 . 1 1 44 44 VAL N N 35 117.791 117.791 117.901 -0.110 18219
175 1 1 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.553 0.057 18219
176 1 1 . 1 1 44 44 VAL C C 35 176.205 176.205 178.518 -2.313 18219
177 1 1 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.187 -2.628 18219
178 1 1 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.134 0.298 18219
179 1 1 . 1 1 44 44 VAL H H 35 8.235 8.235 8.346 -0.111 18219
180 1 1 . 1 1 45 45 GLY N N 36 108.551 108.551 107.039 1.512 18219
181 1 1 . 1 1 45 45 GLY C C 36 173.749 173.749 175.962 -2.213 18219
182 1 1 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.107 -1.024 18219
183 1 1 . 1 1 45 45 GLY H H 36 8.178 8.178 8.412 -0.234 18219
184 1 1 . 1 1 46 46 CYS N N 37 121.173 121.173 122.168 -0.995 18219
185 1 1 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.065 0.115 18219
186 1 1 . 1 1 46 46 CYS C C 37 173.710 173.710 176.742 -3.032 18219
187 1 1 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.516 -1.516 18219
188 1 1 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.356 32.927 18219
189 1 1 . 1 1 46 46 CYS H H 37 8.253 8.253 8.150 0.103 18219
190 1 1 . 1 1 47 47 LEU N N 38 120.283 120.283 119.378 0.905 18219
191 1 1 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.943 0.117 18219
192 1 1 . 1 1 47 47 LEU C C 38 176.679 176.679 179.083 -2.404 18219
193 1 1 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.649 -1.622 18219
194 1 1 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.982 0.482 18219
195 1 1 . 1 1 47 47 LEU H H 38 7.965 7.965 8.228 -0.263 18219
196 1 1 . 1 1 48 48 ALA N N 39 122.249 122.249 122.241 0.008 18219
197 1 1 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.024 0.118 18219
198 1 1 . 1 1 48 48 ALA C C 39 177.915 177.915 179.603 -1.688 18219
199 1 1 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.019 -1.302 18219
200 1 1 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.257 -0.272 18219
201 1 1 . 1 1 48 48 ALA H H 39 8.066 8.066 8.222 -0.156 18219
202 1 1 . 1 1 49 49 GLY N N 40 107.377 107.377 107.079 0.298 18219
203 1 1 . 1 1 49 49 GLY C C 40 172.527 172.527 175.347 -2.820 18219
204 1 1 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.304 -0.854 18219
205 1 1 . 1 1 49 49 GLY H H 40 8.172 8.172 8.274 -0.102 18219
206 1 1 . 1 1 50 50 TYR N N 41 122.409 122.409 124.023 -1.614 18219
207 1 1 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.920 -0.121 18219
208 1 1 . 1 1 50 50 TYR C C 41 174.208 174.208 176.960 -2.752 18219
209 1 1 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.060 -1.815 18219
210 1 1 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.454 -0.518 18219
211 1 1 . 1 1 50 50 TYR H H 41 7.800 7.800 8.634 -0.834 18219
212 1 1 . 1 1 51 51 GLY N N 42 106.935 106.935 104.473 2.462 18219
213 1 1 . 1 1 51 51 GLY C C 42 172.642 172.642 175.358 -2.716 18219
214 1 1 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.438 0.827 18219
215 1 1 . 1 1 51 51 GLY H H 42 8.199 8.199 8.097 0.102 18219
216 1 1 . 1 1 52 52 ALA N N 43 123.018 123.018 125.768 -2.750 18219
217 1 1 . 1 1 52 52 ALA HA H 43 4.150 4.150 3.977 0.173 18219
218 1 1 . 1 1 52 52 ALA C C 43 176.398 176.398 179.609 -3.211 18219
219 1 1 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.522 -1.639 18219
220 1 1 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.047 0.194 18219
221 1 1 . 1 1 52 52 ALA H H 43 7.758 7.758 7.805 -0.047 18219
222 1 1 . 1 1 53 53 TYR N N 44 119.664 119.664 118.918 0.746 18219
223 1 1 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.060 0.258 18219
224 1 1 . 1 1 53 53 TYR C C 44 174.180 174.180 177.807 -3.627 18219
225 1 1 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.673 -3.080 18219
226 1 1 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.492 -0.300 18219
227 1 1 . 1 1 53 53 TYR H H 44 7.920 7.920 8.296 -0.376 18219
228 1 1 . 1 1 54 54 ARG N N 45 119.516 119.516 116.018 3.498 18219
229 1 1 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.429 -0.499 18219
230 1 1 . 1 1 54 54 ARG C C 45 174.423 174.423 176.755 -2.332 18219
231 1 1 . 1 1 54 54 ARG CA C 45 56.027 56.027 55.633 0.394 18219
232 1 1 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.808 -0.635 18219
233 1 1 . 1 1 54 54 ARG H H 45 7.956 7.956 8.186 -0.230 18219
234 1 1 . 1 1 55 55 VAL N N 46 116.437 116.437 120.812 -4.375 18219
235 1 1 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.739 0.321 18219
236 1 1 . 1 1 55 55 VAL C C 46 173.806 173.806 175.824 -2.018 18219
237 1 1 . 1 1 55 55 VAL CA C 46 62.300 62.300 64.389 -2.089 18219
238 1 1 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.217 -0.696 18219
239 1 1 . 1 1 55 55 VAL H H 46 7.489 7.489 8.013 -0.524 18219
240 1 1 . 1 1 56 56 SER N N 47 117.185 117.185 114.417 2.768 18219
241 1 1 . 1 1 56 56 SER HA H 47 4.401 4.401 4.096 0.305 18219
242 1 1 . 1 1 56 56 SER C C 47 172.074 172.074 174.388 -2.314 18219
243 1 1 . 1 1 56 56 SER CA C 47 58.133 58.133 59.959 -1.826 18219
244 1 1 . 1 1 56 56 SER CB C 47 63.468 63.468 63.571 -0.103 18219
245 1 1 . 1 1 56 56 SER H H 47 7.728 7.728 8.124 -0.396 18219
246 1 1 . 1 1 57 57 ASN N N 48 121.049 121.049 123.582 -2.533 18219
247 1 1 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.616 -0.026 18219
248 1 1 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.827 -0.227 18219
249 1 1 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.641 0.000 18219
250 1 1 . 1 1 57 57 ASN H H 48 8.228 8.228 8.540 -0.312 18219
251 1 1 . 1 1 58 58 ASP N N 49 120.276 120.276 120.433 -0.157 18219
252 1 1 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.683 -0.153 18219
253 1 1 . 1 1 58 58 ASP CA C 49 54.202 54.202 53.527 0.675 18219
254 1 1 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.606 -1.232 18219
255 1 1 . 1 1 58 58 ASP H H 49 8.192 8.192 8.450 -0.258 18219
256 1 1 . 1 1 59 59 LYS N N 50 120.660 120.660 119.005 1.655 18219
257 1 1 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.041 0.159 18219
258 1 1 . 1 1 59 59 LYS C C 50 173.474 173.474 175.884 -2.410 18219
259 1 1 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.783 -0.483 18219
260 1 1 . 1 1 59 59 LYS CB C 50 32.034 32.034 31.016 1.018 18219
261 1 1 . 1 1 59 59 LYS H H 50 8.003 8.003 8.426 -0.423 18219
262 1 1 . 1 1 60 60 ARG N N 51 121.278 121.278 119.335 1.943 18219
263 1 1 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.254 -0.054 18219
264 1 1 . 1 1 60 60 ARG C C 51 173.303 173.303 175.087 -1.784 18219
265 1 1 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.525 -0.242 18219
266 1 1 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.012 -0.774 18219
267 1 1 . 1 1 60 60 ARG H H 51 8.091 8.091 8.183 -0.092 18219
268 1 1 . 1 1 61 61 ASP N N 52 121.185 121.185 117.314 3.871 18219
269 1 1 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.686 -0.071 18219
270 1 1 . 1 1 61 61 ASP C C 52 173.777 173.777 177.065 -3.288 18219
271 1 1 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.743 -0.764 18219
272 1 1 . 1 1 61 61 ASP CB C 52 40.245 40.245 40.337 -0.092 18219
273 1 1 . 1 1 61 61 ASP H H 52 8.261 8.261 8.472 -0.211 18219
274 1 1 . 1 1 62 62 VAL N N 53 121.902 121.902 120.833 1.069 18219
275 1 1 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.157 -0.207 18219
276 1 1 . 1 1 62 62 VAL C C 53 173.279 173.279 177.240 -3.961 18219
277 1 1 . 1 1 62 62 VAL CA C 53 63.176 63.176 62.892 0.284 18219
278 1 1 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.990 0.109 18219
279 1 1 . 1 1 62 62 VAL H H 53 7.997 7.997 8.261 -0.264 18219
280 1 1 . 1 1 63 63 LYS N N 54 123.522 123.522 121.143 2.379 18219
281 1 1 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.094 0.166 18219
282 1 1 . 1 1 63 63 LYS C C 54 174.481 174.481 178.621 -4.140 18219
283 1 1 . 1 1 63 63 LYS CA C 54 56.347 56.347 60.024 -3.677 18219
284 1 1 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.033 0.066 18219
285 1 1 . 1 1 63 63 LYS H H 54 8.054 8.054 8.287 -0.233 18219
286 1 1 . 1 1 64 64 VAL N N 55 120.647 120.647 117.952 2.695 18219
287 1 1 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.930 0.017 18219
288 1 1 . 1 1 64 64 VAL C C 55 174.955 174.955 177.694 -2.739 18219
289 1 1 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.338 -0.738 18219
290 1 1 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.905 0.972 18219
291 1 1 . 1 1 64 64 VAL H H 55 8.225 8.225 7.832 0.393 18219
292 1 1 . 1 1 65 65 SER N N 56 117.785 117.785 116.426 1.359 18219
293 1 1 . 1 1 65 65 SER HA H 56 4.390 4.390 4.205 0.185 18219
294 1 1 . 1 1 65 65 SER C C 56 172.300 172.300 176.722 -4.422 18219
295 1 1 . 1 1 65 65 SER CA C 56 60.000 60.000 62.349 -2.349 18219
296 1 1 . 1 1 65 65 SER CB C 56 62.879 62.879 62.968 -0.089 18219
297 1 1 . 1 1 65 65 SER H H 56 8.260 8.260 7.911 0.349 18219
298 1 1 . 1 1 66 66 LEU N N 57 123.318 123.318 122.651 0.667 18219
299 1 1 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.149 -0.059 18219
300 1 1 . 1 1 66 66 LEU C C 57 175.932 175.932 178.324 -2.392 18219
301 1 1 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.361 -0.860 18219
302 1 1 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.005 -0.284 18219
303 1 1 . 1 1 66 66 LEU H H 57 8.091 8.091 8.198 -0.107 18219
304 1 1 . 1 1 67 67 PHE N N 58 118.020 118.020 118.479 -0.459 18219
305 1 1 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.056 0.274 18219
306 1 1 . 1 1 67 67 PHE C C 58 174.912 174.912 177.670 -2.758 18219
307 1 1 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.830 -1.230 18219
308 1 1 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.864 -0.312 18219
309 1 1 . 1 1 67 67 PHE H H 58 8.066 8.066 8.588 -0.522 18219
310 1 1 . 1 1 68 68 THR N N 59 115.324 115.324 115.972 -0.648 18219
311 1 1 . 1 1 68 68 THR HA H 59 4.310 4.310 3.922 0.388 18219
312 1 1 . 1 1 68 68 THR C C 59 173.380 173.380 176.260 -2.880 18219
313 1 1 . 1 1 68 68 THR CA C 59 66.313 66.313 67.406 -1.093 18219
314 1 1 . 1 1 68 68 THR CB C 59 67.700 67.700 68.918 -1.218 18219
315 1 1 . 1 1 68 68 THR H H 59 8.287 8.287 8.385 -0.098 18219
316 1 1 . 1 1 69 69 ALA N N 60 123.621 123.621 124.808 -1.187 18219
317 1 1 . 1 1 69 69 ALA HA H 60 4.280 4.280 3.992 0.288 18219
318 1 1 . 1 1 69 69 ALA C C 60 176.978 176.978 179.418 -2.440 18219
319 1 1 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.341 -0.241 18219
320 1 1 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.308 -0.580 18219
321 1 1 . 1 1 69 69 ALA H H 60 7.983 7.983 8.479 -0.496 18219
322 1 1 . 1 1 70 70 PHE N N 61 118.520 118.520 118.137 0.383 18219
323 1 1 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.235 0.025 18219
324 1 1 . 1 1 70 70 PHE C C 61 175.369 175.369 177.301 -1.932 18219
325 1 1 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.107 -0.928 18219
326 1 1 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.147 -0.441 18219
327 1 1 . 1 1 70 70 PHE H H 61 8.007 8.007 8.822 -0.815 18219
328 1 1 . 1 1 71 71 PHE N N 62 122.314 122.314 120.608 1.706 18219
329 1 1 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.059 -0.059 18219
330 1 1 . 1 1 71 71 PHE C C 62 174.697 174.697 177.596 -2.899 18219
331 1 1 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.670 -2.153 18219
332 1 1 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.961 -0.191 18219
333 1 1 . 1 1 71 71 PHE H H 62 8.546 8.546 8.141 0.405 18219
334 1 1 . 1 1 72 72 LEU N N 63 119.399 119.399 119.627 -0.228 18219
335 1 1 . 1 1 72 72 LEU HA H 63 3.870 3.870 4.031 -0.161 18219
336 1 1 . 1 1 72 72 LEU C C 63 175.774 175.774 178.563 -2.789 18219
337 1 1 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.290 -1.365 18219
338 1 1 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.623 -0.416 18219
339 1 1 . 1 1 72 72 LEU H H 63 8.396 8.396 8.796 -0.400 18219
340 1 1 . 1 1 73 73 ALA N N 64 120.221 120.221 121.007 -0.786 18219
341 1 1 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.947 0.013 18219
342 1 1 . 1 1 73 73 ALA C C 64 177.267 177.267 179.985 -2.718 18219
343 1 1 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.575 -0.975 18219
344 1 1 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.805 -0.021 18219
345 1 1 . 1 1 73 73 ALA H H 64 8.025 8.025 8.153 -0.128 18219
346 1 1 . 1 1 74 74 THR N N 65 113.648 113.648 113.920 -0.272 18219
347 1 1 . 1 1 74 74 THR HA H 65 3.980 3.980 4.115 -0.135 18219
348 1 1 . 1 1 74 74 THR CA C 65 66.291 66.291 65.440 0.851 18219
349 1 1 . 1 1 74 74 THR CB C 65 67.914 67.914 68.870 -0.956 18219
350 1 1 . 1 1 74 74 THR H H 65 7.717 7.717 7.983 -0.266 18219
351 1 1 . 1 1 75 75 ILE N N 66 120.291 120.291 121.356 -1.065 18219
352 1 1 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.837 -0.097 18219
353 1 1 . 1 1 75 75 ILE C C 66 174.951 174.951 177.494 -2.543 18219
354 1 1 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.061 0.819 18219
355 1 1 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.776 -0.610 18219
356 1 1 . 1 1 75 75 ILE H H 66 7.738 7.738 8.118 -0.380 18219
357 1 1 . 1 1 76 76 MET N N 67 117.618 117.618 117.341 0.277 18219
358 1 1 . 1 1 76 76 MET HA H 67 4.220 4.220 4.201 0.019 18219
359 1 1 . 1 1 76 76 MET C C 67 175.142 175.142 176.892 -1.750 18219
360 1 1 . 1 1 76 76 MET CA C 67 56.723 56.723 58.908 -2.185 18219
361 1 1 . 1 1 76 76 MET CB C 67 31.951 31.951 33.763 -1.812 18219
362 1 1 . 1 1 76 76 MET H H 67 7.823 7.823 8.653 -0.830 18219
363 1 1 . 1 1 77 77 GLY N N 68 107.110 107.110 103.682 3.428 18219
364 1 1 . 1 1 77 77 GLY C C 68 172.260 172.260 174.047 -1.787 18219
365 1 1 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.473 1.327 18219
366 1 1 . 1 1 77 77 GLY H H 68 7.937 7.937 7.969 -0.032 18219
367 1 1 . 1 1 78 78 VAL N N 69 120.431 120.431 119.147 1.284 18219
368 1 1 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.799 0.421 18219
369 1 1 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.255 -0.355 18219
370 1 1 . 1 1 78 78 VAL CB C 69 31.506 31.506 32.178 -0.672 18219
371 1 1 . 1 1 78 78 VAL H H 69 7.697 7.697 8.351 -0.654 18219
372 1 1 . 1 1 79 79 ARG N N 70 121.420 121.420 119.602 1.818 18219
373 1 1 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.129 -0.319 18219
374 1 1 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.431 -0.031 18219
375 1 1 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.832 -0.735 18219
376 1 1 . 1 1 79 79 ARG H H 70 7.889 7.889 7.526 0.363 18219
377 1 1 . 1 1 80 80 PHE N N 71 119.949 119.949 122.000 -2.051 18219
378 1 1 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.187 0.323 18219
379 1 1 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.995 -1.395 18219
380 1 1 . 1 1 80 80 PHE CB C 71 39.145 39.145 38.928 0.217 18219
381 1 1 . 1 1 80 80 PHE H H 71 8.101 8.101 8.697 -0.596 18219
382 1 1 . 1 1 81 81 LYS N N 72 122.193 122.193 126.376 -4.183 18219
383 1 1 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.374 1.426 18219
384 1 1 . 1 1 81 81 LYS CB C 72 32.322 32.322 35.411 -3.089 18219
385 1 1 . 1 1 81 81 LYS H H 72 8.090 8.090 7.963 0.127 18219
386 1 1 . 1 1 82 82 ARG N N 73 119.650 119.650 121.554 -1.904 18219
387 1 1 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.562 -0.473 18219
388 1 1 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.290 -0.119 18219
389 1 1 . 1 1 82 82 ARG H H 73 8.052 8.052 8.428 -0.376 18219
390 1 1 . 1 1 83 83 SER N N 74 115.734 115.734 117.424 -1.690 18219
391 1 1 . 1 1 83 83 SER CA C 74 58.355 58.355 58.256 0.099 18219
392 1 1 . 1 1 83 83 SER CB C 74 63.404 63.404 64.481 -1.077 18219
393 1 1 . 1 1 83 83 SER H H 74 7.912 7.912 8.444 -0.532 18219
394 1 1 . 1 1 84 84 LYS N N 75 122.370 122.370 124.076 -1.706 18219
395 1 1 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.186 -0.051 18219
396 1 1 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.454 -0.279 18219
397 1 1 . 1 1 84 84 LYS H H 75 8.067 8.067 8.359 -0.292 18219
398 1 1 . 1 1 86 86 ILE N N 77 119.592 119.592 117.178 2.414 18219
399 1 1 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.094 -0.284 18219
400 1 1 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.111 2.789 18219
401 1 1 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.857 0.288 18219
402 1 1 . 1 1 86 86 ILE H H 77 7.837 7.837 7.763 0.074 18219
403 1 1 . 1 1 87 87 MET N N 78 121.645 121.645 118.991 2.654 18219
404 1 1 . 1 1 87 87 MET CA C 78 52.982 52.982 59.406 -6.424 18219
405 1 1 . 1 1 87 87 MET CB C 78 32.173 32.173 30.925 1.248 18219
406 1 1 . 1 1 87 87 MET H H 78 7.950 7.950 7.971 -0.021 18219
407 1 1 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.373 -0.233 18219
408 1 1 . 1 1 88 88 PRO C C 79 173.921 173.921 177.115 -3.194 18219
409 1 1 . 1 1 88 88 PRO CA C 79 62.800 62.800 63.093 -0.293 18219
410 1 1 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.901 -0.766 18219
411 1 1 . 1 1 89 89 ALA N N 80 124.431 124.431 118.877 5.554 18219
412 1 1 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.013 0.387 18219
413 1 1 . 1 1 89 89 ALA C C 80 176.234 176.234 179.599 -3.365 18219
414 1 1 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.449 -1.149 18219
415 1 1 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.191 1.308 18219
416 1 1 . 1 1 89 89 ALA H H 80 8.320 8.320 8.538 -0.218 18219
417 1 1 . 1 1 90 90 GLY N N 81 106.834 106.834 107.397 -0.563 18219
418 1 1 . 1 1 90 90 GLY C C 81 172.398 172.398 176.029 -3.631 18219
419 1 1 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.233 -1.633 18219
420 1 1 . 1 1 90 90 GLY H H 81 8.458 8.458 8.170 0.288 18219
421 1 1 . 1 1 91 91 LEU N N 82 121.043 121.043 121.287 -0.244 18219
422 1 1 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.078 0.122 18219
423 1 1 . 1 1 91 91 LEU C C 82 174.783 174.783 178.974 -4.191 18219
424 1 1 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.116 -1.816 18219
425 1 1 . 1 1 91 91 LEU CB C 82 42.106 42.106 40.860 1.246 18219
426 1 1 . 1 1 91 91 LEU H H 82 7.687 7.687 8.102 -0.415 18219
427 1 1 . 1 1 92 92 VAL N N 83 114.737 114.737 119.273 -4.536 18219
428 1 1 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.550 0.430 18219
429 1 1 . 1 1 92 92 VAL C C 83 173.634 173.634 177.832 -4.198 18219
430 1 1 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.893 -4.493 18219
431 1 1 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.246 0.339 18219
432 1 1 . 1 1 92 92 VAL H H 83 7.602 7.602 7.904 -0.302 18219
433 1 1 . 1 1 93 93 ALA N N 84 124.320 124.320 120.885 3.435 18219
434 1 1 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.945 0.205 18219
435 1 1 . 1 1 93 93 ALA C C 84 175.746 175.746 179.903 -4.157 18219
436 1 1 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.304 -2.005 18219
437 1 1 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.853 0.388 18219
438 1 1 . 1 1 93 93 ALA H H 84 7.891 7.891 8.489 -0.598 18219
439 1 1 . 1 1 94 94 GLY N N 85 106.807 106.807 107.187 -0.380 18219
440 1 1 . 1 1 94 94 GLY C C 85 171.752 171.752 175.881 -4.129 18219
441 1 1 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.547 -1.298 18219
442 1 1 . 1 1 94 94 GLY H H 85 8.204 8.204 7.965 0.239 18219
443 1 1 . 1 1 95 95 LEU N N 86 121.266 121.266 122.361 -1.095 18219
444 1 1 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.099 0.281 18219
445 1 1 . 1 1 95 95 LEU C C 86 173.702 173.702 178.834 -5.132 18219
446 1 1 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.485 -2.485 18219
447 1 1 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.261 1.037 18219
448 1 1 . 1 1 95 95 LEU H H 86 7.718 7.718 7.984 -0.266 18219
449 1 1 . 1 1 96 96 SER N N 87 115.658 115.658 115.918 -0.260 18219
450 1 1 . 1 1 96 96 SER HA H 87 4.370 4.370 4.151 0.219 18219
451 1 1 . 1 1 96 96 SER C C 87 172.479 172.479 176.887 -4.408 18219
452 1 1 . 1 1 96 96 SER CA C 87 57.200 57.200 62.642 -5.442 18219
453 1 1 . 1 1 96 96 SER CB C 87 64.174 64.174 63.152 1.022 18219
454 1 1 . 1 1 96 96 SER H H 87 7.659 7.659 8.106 -0.447 18219
455 1 1 . 1 1 97 97 LEU N N 88 123.720 123.720 122.328 1.392 18219
456 1 1 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.007 0.593 18219
457 1 1 . 1 1 97 97 LEU C C 88 175.932 175.932 179.090 -3.158 18219
458 1 1 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.980 -0.380 18219
459 1 1 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.927 -0.527 18219
460 1 1 . 1 1 97 97 LEU H H 88 8.733 8.733 8.179 0.554 18219
461 1 1 . 1 1 98 98 MET N N 89 116.684 116.684 120.274 -3.590 18219
462 1 1 . 1 1 98 98 MET HA H 89 4.280 4.280 4.161 0.119 18219
463 1 1 . 1 1 98 98 MET C C 89 175.789 175.789 177.896 -2.107 18219
464 1 1 . 1 1 98 98 MET CA C 89 56.915 56.915 58.867 -1.952 18219
465 1 1 . 1 1 98 98 MET CB C 89 31.007 31.007 32.734 -1.727 18219
466 1 1 . 1 1 98 98 MET H H 89 8.342 8.342 8.182 0.160 18219
467 1 1 . 1 1 99 99 MET N N 90 119.182 119.182 118.269 0.913 18219
468 1 1 . 1 1 99 99 MET HA H 90 4.110 4.110 4.174 -0.064 18219
469 1 1 . 1 1 99 99 MET C C 90 175.588 175.588 178.706 -3.118 18219
470 1 1 . 1 1 99 99 MET CA C 90 57.951 57.951 58.634 -0.683 18219
471 1 1 . 1 1 99 99 MET CB C 90 32.226 32.226 31.843 0.383 18219
472 1 1 . 1 1 99 99 MET H H 90 7.720 7.720 8.189 -0.469 18219
473 1 1 . 1 1 100 100 ILE N N 91 119.077 119.077 119.933 -0.856 18219
474 1 1 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.901 0.209 18219
475 1 1 . 1 1 100 100 ILE C C 91 174.634 174.634 177.055 -2.421 18219
476 1 1 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.167 -0.067 18219
477 1 1 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.450 -1.307 18219
478 1 1 . 1 1 100 100 ILE H H 91 7.662 7.662 8.297 -0.635 18219
479 1 1 . 1 1 101 101 LEU N N 92 119.646 119.646 120.610 -0.964 18219
480 1 1 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.994 0.536 18219
481 1 1 . 1 1 101 101 LEU C C 92 175.430 175.430 178.421 -2.991 18219
482 1 1 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.495 0.305 18219
483 1 1 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.789 -1.031 18219
484 1 1 . 1 1 101 101 LEU H H 92 8.142 8.142 7.709 0.433 18219
485 1 1 . 1 1 102 102 ARG N N 93 116.394 116.394 118.050 -1.656 18219
486 1 1 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.330 -0.190 18219
487 1 1 . 1 1 102 102 ARG C C 93 175.961 175.961 178.237 -2.276 18219
488 1 1 . 1 1 102 102 ARG CA C 93 59.100 59.100 57.855 1.245 18219
489 1 1 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.777 -1.373 18219
490 1 1 . 1 1 102 102 ARG H H 93 7.893 7.893 8.102 -0.209 18219
491 1 1 . 1 1 103 103 LEU N N 94 119.114 119.114 121.999 -2.885 18219
492 1 1 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.128 -0.018 18219
493 1 1 . 1 1 103 103 LEU C C 94 175.889 175.889 178.115 -2.226 18219
494 1 1 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.868 -0.568 18219
495 1 1 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.766 -0.470 18219
496 1 1 . 1 1 103 103 LEU H H 94 7.622 7.622 7.720 -0.098 18219
497 1 1 . 1 1 104 104 VAL N N 95 117.704 117.704 119.583 -1.879 18219
498 1 1 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.722 -0.192 18219
499 1 1 . 1 1 104 104 VAL C C 95 175.042 175.042 177.548 -2.506 18219
500 1 1 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.604 0.815 18219
501 1 1 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.781 -0.424 18219
502 1 1 . 1 1 104 104 VAL H H 95 8.026 8.026 7.946 0.080 18219
503 1 1 . 1 1 105 105 LEU N N 96 117.185 117.185 115.910 1.275 18219
504 1 1 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.390 -0.410 18219
505 1 1 . 1 1 105 105 LEU C C 96 176.579 176.579 177.879 -1.300 18219
506 1 1 . 1 1 105 105 LEU CA C 96 56.800 56.800 55.410 1.390 18219
507 1 1 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.513 -1.562 18219
508 1 1 . 1 1 105 105 LEU H H 96 7.893 7.893 7.536 0.357 18219
509 1 1 . 1 1 106 106 LEU N N 97 118.471 118.471 121.183 -2.712 18219
510 1 1 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.974 0.206 18219
511 1 1 . 1 1 106 106 LEU C C 97 175.802 175.802 176.910 -1.108 18219
512 1 1 . 1 1 106 106 LEU CA C 97 56.300 56.300 56.019 0.281 18219
513 1 1 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.670 -0.078 18219
514 1 1 . 1 1 106 106 LEU H H 97 7.545 7.545 8.126 -0.581 18219
515 1 1 . 1 1 107 107 LEU N N 98 118.162 118.162 115.320 2.842 18219
516 1 1 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.490 -0.260 18219
517 1 1 . 1 1 107 107 LEU C C 98 174.174 174.174 176.847 -2.673 18219
518 1 1 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.023 1.260 18219
519 1 1 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.028 0.334 18219
520 1 1 . 1 1 107 107 LEU H H 98 7.688 7.688 7.616 0.072 18219
521 1 2 . 1 1 11 11 ASP N N 2 120.536 120.536 121.643 -1.107 18219
522 1 2 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.410 2.508 18219
523 1 2 . 1 1 11 11 ASP CB C 2 37.959 37.959 43.582 -5.623 18219
524 1 2 . 1 1 11 11 ASP H H 2 7.863 7.863 8.227 -0.364 18219
525 1 2 . 1 1 12 12 LEU N N 3 121.414 121.414 122.100 -0.686 18219
526 1 2 . 1 1 12 12 LEU C C 3 176.162 176.162 178.344 -2.182 18219
527 1 2 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.118 1.482 18219
528 1 2 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.420 -0.763 18219
529 1 2 . 1 1 12 12 LEU H H 3 8.285 8.285 8.347 -0.062 18219
530 1 2 . 1 1 13 13 ILE N N 4 118.854 118.854 118.309 0.545 18219
531 1 2 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.780 -0.040 18219
532 1 2 . 1 1 13 13 ILE C C 4 175.228 175.228 177.895 -2.667 18219
533 1 2 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.252 1.248 18219
534 1 2 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.212 -1.110 18219
535 1 2 . 1 1 13 13 ILE H H 4 8.031 8.031 7.893 0.138 18219
536 1 2 . 1 1 14 14 GLY N N 5 107.478 107.478 106.077 1.401 18219
537 1 2 . 1 1 14 14 GLY C C 5 174.424 174.424 175.757 -1.333 18219
538 1 2 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.536 0.523 18219
539 1 2 . 1 1 14 14 GLY H H 5 8.148 8.148 8.375 -0.227 18219
540 1 2 . 1 1 15 15 PHE N N 6 122.774 122.774 123.894 -1.120 18219
541 1 2 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.329 0.151 18219
542 1 2 . 1 1 15 15 PHE C C 6 175.113 175.113 177.006 -1.893 18219
543 1 2 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.465 -1.448 18219
544 1 2 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.392 0.382 18219
545 1 2 . 1 1 15 15 PHE H H 6 8.194 8.194 7.948 0.246 18219
546 1 2 . 1 1 16 16 GLY N N 7 107.938 107.938 106.536 1.402 18219
547 1 2 . 1 1 16 16 GLY C C 7 171.838 171.838 175.756 -3.918 18219
548 1 2 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.676 -0.576 18219
549 1 2 . 1 1 16 16 GLY H H 7 8.697 8.697 8.645 0.052 18219
550 1 2 . 1 1 17 17 TYR N N 8 121.785 121.785 123.382 -1.597 18219
551 1 2 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.151 -0.001 18219
552 1 2 . 1 1 17 17 TYR C C 8 174.180 174.180 177.685 -3.505 18219
553 1 2 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.105 1.195 18219
554 1 2 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.261 -0.302 18219
555 1 2 . 1 1 17 17 TYR H H 8 8.710 8.710 8.177 0.533 18219
556 1 2 . 1 1 18 18 ALA N N 9 120.233 120.233 120.514 -0.281 18219
557 1 2 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.837 0.113 18219
558 1 2 . 1 1 18 18 ALA C C 9 178.059 178.059 178.916 -0.857 18219
559 1 2 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.519 0.353 18219
560 1 2 . 1 1 18 18 ALA CB C 9 17.562 17.562 18.009 -0.447 18219
561 1 2 . 1 1 18 18 ALA H H 9 7.843 7.843 8.302 -0.459 18219
562 1 2 . 1 1 19 19 ALA N N 10 121.797 121.797 122.883 -1.086 18219
563 1 2 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.966 -0.016 18219
564 1 2 . 1 1 19 19 ALA C C 10 176.191 176.191 179.423 -3.232 18219
565 1 2 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.886 -0.286 18219
566 1 2 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.294 -0.732 18219
567 1 2 . 1 1 19 19 ALA H H 10 8.212 8.212 8.152 0.060 18219
568 1 2 . 1 1 20 20 LEU N N 11 119.442 119.442 117.493 1.949 18219
569 1 2 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.001 -0.064 18219
570 1 2 . 1 1 20 20 LEU C C 11 176.694 176.694 178.879 -2.185 18219
571 1 2 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.927 -0.127 18219
572 1 2 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.075 0.147 18219
573 1 2 . 1 1 20 20 LEU H H 11 8.065 8.065 8.022 0.043 18219
574 1 2 . 1 1 21 21 VAL N N 12 118.323 118.323 120.461 -2.138 18219
575 1 2 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.508 0.132 18219
576 1 2 . 1 1 21 21 VAL C C 12 176.536 176.536 178.541 -2.005 18219
577 1 2 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.944 -1.544 18219
578 1 2 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.503 0.632 18219
579 1 2 . 1 1 21 21 VAL H H 12 8.051 8.051 8.592 -0.541 18219
580 1 2 . 1 1 22 22 THR N N 13 118.298 118.298 116.420 1.878 18219
581 1 2 . 1 1 22 22 THR HA H 13 4.660 4.660 4.009 0.651 18219
582 1 2 . 1 1 22 22 THR C C 13 173.734 173.734 176.730 -2.996 18219
583 1 2 . 1 1 22 22 THR CA C 13 66.300 66.300 66.448 -0.148 18219
584 1 2 . 1 1 22 22 THR CB C 13 67.775 67.775 68.407 -0.632 18219
585 1 2 . 1 1 22 22 THR H H 13 7.944 7.944 7.929 0.015 18219
586 1 2 . 1 1 23 23 PHE N N 14 121.328 121.328 122.362 -1.034 18219
587 1 2 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.235 0.105 18219
588 1 2 . 1 1 23 23 PHE C C 14 174.783 174.783 177.244 -2.461 18219
589 1 2 . 1 1 23 23 PHE CA C 14 60.500 60.500 62.162 -1.662 18219
590 1 2 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.974 -0.348 18219
591 1 2 . 1 1 23 23 PHE H H 14 8.567 8.567 8.392 0.175 18219
592 1 2 . 1 1 24 24 GLY N N 15 106.871 106.871 105.219 1.652 18219
593 1 2 . 1 1 24 24 GLY C C 15 172.858 172.858 176.836 -3.978 18219
594 1 2 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.376 -0.476 18219
595 1 2 . 1 1 24 24 GLY H H 15 8.475 8.475 8.980 -0.505 18219
596 1 2 . 1 1 25 25 SER N N 16 116.214 116.214 118.162 -1.948 18219
597 1 2 . 1 1 25 25 SER HA H 16 4.280 4.280 4.297 -0.017 18219
598 1 2 . 1 1 25 25 SER CA C 16 60.300 60.300 61.433 -1.133 18219
599 1 2 . 1 1 25 25 SER CB C 16 62.879 62.879 63.046 -0.167 18219
600 1 2 . 1 1 25 25 SER H H 16 7.963 7.963 7.999 -0.036 18219
601 1 2 . 1 1 26 26 ILE N N 17 121.024 121.024 122.322 -1.298 18219
602 1 2 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.623 0.323 18219
603 1 2 . 1 1 26 26 ILE C C 17 173.935 173.935 178.170 -4.235 18219
604 1 2 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.226 -2.126 18219
605 1 2 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.056 0.050 18219
606 1 2 . 1 1 26 26 ILE H H 17 7.676 7.676 7.970 -0.294 18219
607 1 2 . 1 1 27 27 PHE N N 18 117.142 117.142 118.367 -1.225 18219
608 1 2 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.179 0.251 18219
609 1 2 . 1 1 27 27 PHE C C 18 173.504 173.504 177.619 -4.115 18219
610 1 2 . 1 1 27 27 PHE CA C 18 58.500 58.500 61.375 -2.875 18219
611 1 2 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.663 0.110 18219
612 1 2 . 1 1 27 27 PHE H H 18 7.703 7.703 8.403 -0.700 18219
613 1 2 . 1 1 28 28 GLY N N 19 107.303 107.303 105.701 1.602 18219
614 1 2 . 1 1 28 28 GLY C C 19 171.593 171.593 174.112 -2.519 18219
615 1 2 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.907 -0.307 18219
616 1 2 . 1 1 28 28 GLY H H 19 7.722 7.722 7.911 -0.189 18219
617 1 2 . 1 1 29 29 TYR N N 20 119.862 119.862 117.951 1.911 18219
618 1 2 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.141 0.251 18219
619 1 2 . 1 1 29 29 TYR C C 20 173.174 173.174 175.958 -2.784 18219
620 1 2 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.354 0.146 18219
621 1 2 . 1 1 29 29 TYR CB C 20 38.404 38.404 39.115 -0.711 18219
622 1 2 . 1 1 29 29 TYR H H 20 7.880 7.880 7.571 0.309 18219
623 1 2 . 1 1 30 30 LYS N N 21 122.335 122.335 123.497 -1.162 18219
624 1 2 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.183 0.207 18219
625 1 2 . 1 1 30 30 LYS C C 21 173.547 173.547 175.556 -2.009 18219
626 1 2 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.542 -1.742 18219
627 1 2 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.927 -0.531 18219
628 1 2 . 1 1 30 30 LYS H H 21 7.934 7.934 8.508 -0.574 18219
629 1 2 . 1 1 31 31 ARG N N 22 120.612 120.612 125.370 -4.758 18219
630 1 2 . 1 1 31 31 ARG C C 22 173.547 173.547 177.289 -3.742 18219
631 1 2 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.614 0.220 18219
632 1 2 . 1 1 31 31 ARG CB C 22 30.101 30.101 31.437 -1.336 18219
633 1 2 . 1 1 31 31 ARG H H 22 7.905 7.905 8.317 -0.412 18219
634 1 2 . 1 1 32 32 ARG N N 23 121.748 121.748 120.572 1.176 18219
635 1 2 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.160 0.150 18219
636 1 2 . 1 1 32 32 ARG C C 23 173.863 173.863 176.712 -2.849 18219
637 1 2 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.454 -1.654 18219
638 1 2 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.161 0.084 18219
639 1 2 . 1 1 32 32 ARG H H 23 8.175 8.175 8.734 -0.559 18219
640 1 2 . 1 1 33 33 GLY N N 24 109.528 109.528 105.632 3.896 18219
641 1 2 . 1 1 33 33 GLY C C 24 171.752 171.752 173.182 -1.430 18219
642 1 2 . 1 1 33 33 GLY CA C 24 44.900 44.900 43.981 0.919 18219
643 1 2 . 1 1 33 33 GLY H H 24 8.264 8.264 7.948 0.316 18219
644 1 2 . 1 1 34 34 GLY N N 25 108.563 108.563 109.298 -0.735 18219
645 1 2 . 1 1 34 34 GLY C C 25 171.701 171.701 174.788 -3.087 18219
646 1 2 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.507 0.093 18219
647 1 2 . 1 1 34 34 GLY H H 25 8.208 8.208 8.049 0.159 18219
648 1 2 . 1 1 35 35 VAL N N 26 121.164 121.164 123.096 -1.932 18219
649 1 2 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.909 0.101 18219
650 1 2 . 1 1 35 35 VAL C C 26 175.888 175.888 175.601 0.287 18219
651 1 2 . 1 1 35 35 VAL CA C 26 63.900 63.900 65.384 -1.484 18219
652 1 2 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.536 -0.846 18219
653 1 2 . 1 1 35 35 VAL H H 26 8.485 8.485 8.371 0.114 18219
654 1 2 . 1 1 36 36 PRO C C 27 177.660 177.660 175.819 1.841 18219
655 1 2 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.398 -1.551 18219
656 1 2 . 1 1 37 37 SER N N 28 116.023 116.023 115.260 0.763 18219
657 1 2 . 1 1 37 37 SER HA H 28 4.280 4.280 4.656 -0.376 18219
658 1 2 . 1 1 37 37 SER CA C 28 61.100 61.100 59.639 1.461 18219
659 1 2 . 1 1 37 37 SER H H 28 7.948 7.948 8.291 -0.343 18219
660 1 2 . 1 1 38 38 LEU N N 29 124.029 124.029 121.810 2.219 18219
661 1 2 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.079 0.091 18219
662 1 2 . 1 1 38 38 LEU C C 29 176.132 176.132 178.580 -2.448 18219
663 1 2 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.116 -0.616 18219
664 1 2 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.107 0.931 18219
665 1 2 . 1 1 38 38 LEU H H 29 8.201 8.201 7.551 0.650 18219
666 1 2 . 1 1 39 39 ILE N N 30 117.098 117.098 118.908 -1.810 18219
667 1 2 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.848 0.522 18219
668 1 2 . 1 1 39 39 ILE C C 30 176.478 176.478 177.550 -1.072 18219
669 1 2 . 1 1 39 39 ILE CA C 30 63.079 63.079 62.438 0.641 18219
670 1 2 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.498 0.475 18219
671 1 2 . 1 1 39 39 ILE H H 30 7.662 7.662 8.257 -0.595 18219
672 1 2 . 1 1 40 40 ALA N N 31 122.447 122.447 123.548 -1.101 18219
673 1 2 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.043 -0.009 18219
674 1 2 . 1 1 40 40 ALA C C 31 177.067 177.067 179.355 -2.288 18219
675 1 2 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.303 0.659 18219
676 1 2 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.116 -0.260 18219
677 1 2 . 1 1 40 40 ALA H H 31 8.096 8.096 8.101 -0.005 18219
678 1 2 . 1 1 41 41 GLY N N 32 104.056 104.056 107.579 -3.523 18219
679 1 2 . 1 1 41 41 GLY C C 32 174.251 174.251 176.071 -1.820 18219
680 1 2 . 1 1 41 41 GLY CA C 32 46.500 46.500 47.008 -0.508 18219
681 1 2 . 1 1 41 41 GLY H H 32 8.123 8.123 8.346 -0.223 18219
682 1 2 . 1 1 42 42 LEU N N 33 123.250 123.250 123.133 0.117 18219
683 1 2 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.001 -0.144 18219
684 1 2 . 1 1 42 42 LEU C C 33 176.033 176.033 178.237 -2.204 18219
685 1 2 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.297 -1.629 18219
686 1 2 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.975 -0.254 18219
687 1 2 . 1 1 42 42 LEU H H 33 7.914 7.914 8.487 -0.573 18219
688 1 2 . 1 1 43 43 PHE N N 34 119.757 119.757 118.957 0.800 18219
689 1 2 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.077 0.123 18219
690 1 2 . 1 1 43 43 PHE C C 34 174.374 174.374 177.506 -3.132 18219
691 1 2 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.085 -2.209 18219
692 1 2 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.007 -0.173 18219
693 1 2 . 1 1 43 43 PHE H H 34 8.287 8.287 8.080 0.207 18219
694 1 2 . 1 1 44 44 VAL N N 35 117.791 117.791 118.663 -0.872 18219
695 1 2 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.689 -0.079 18219
696 1 2 . 1 1 44 44 VAL C C 35 176.205 176.205 178.440 -2.235 18219
697 1 2 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.743 -2.184 18219
698 1 2 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.400 0.032 18219
699 1 2 . 1 1 44 44 VAL H H 35 8.235 8.235 8.378 -0.143 18219
700 1 2 . 1 1 45 45 GLY N N 36 108.551 108.551 107.164 1.387 18219
701 1 2 . 1 1 45 45 GLY C C 36 173.749 173.749 175.794 -2.045 18219
702 1 2 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.069 -0.986 18219
703 1 2 . 1 1 45 45 GLY H H 36 8.178 8.178 8.539 -0.361 18219
704 1 2 . 1 1 46 46 CYS N N 37 121.173 121.173 122.263 -1.090 18219
705 1 2 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.208 -0.028 18219
706 1 2 . 1 1 46 46 CYS C C 37 173.710 173.710 176.528 -2.818 18219
707 1 2 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.909 -0.909 18219
708 1 2 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.889 32.394 18219
709 1 2 . 1 1 46 46 CYS H H 37 8.253 8.253 8.170 0.083 18219
710 1 2 . 1 1 47 47 LEU N N 38 120.283 120.283 120.414 -0.131 18219
711 1 2 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.172 -0.112 18219
712 1 2 . 1 1 47 47 LEU C C 38 176.679 176.679 177.839 -1.160 18219
713 1 2 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.048 -2.022 18219
714 1 2 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.974 0.490 18219
715 1 2 . 1 1 47 47 LEU H H 38 7.965 7.965 8.627 -0.662 18219
716 1 2 . 1 1 48 48 ALA N N 39 122.249 122.249 122.042 0.207 18219
717 1 2 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.105 0.037 18219
718 1 2 . 1 1 48 48 ALA C C 39 177.915 177.915 179.673 -1.758 18219
719 1 2 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.203 -1.486 18219
720 1 2 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.195 -0.209 18219
721 1 2 . 1 1 48 48 ALA H H 39 8.066 8.066 7.994 0.072 18219
722 1 2 . 1 1 49 49 GLY N N 40 107.377 107.377 107.377 0.000 18219
723 1 2 . 1 1 49 49 GLY C C 40 172.527 172.527 175.787 -3.260 18219
724 1 2 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.959 -1.509 18219
725 1 2 . 1 1 49 49 GLY H H 40 8.172 8.172 8.165 0.007 18219
726 1 2 . 1 1 50 50 TYR N N 41 122.409 122.409 123.117 -0.708 18219
727 1 2 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.271 -0.472 18219
728 1 2 . 1 1 50 50 TYR C C 41 174.208 174.208 177.906 -3.698 18219
729 1 2 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.953 -1.708 18219
730 1 2 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.501 -0.565 18219
731 1 2 . 1 1 50 50 TYR H H 41 7.800 7.800 8.396 -0.596 18219
732 1 2 . 1 1 51 51 GLY N N 42 106.935 106.935 107.181 -0.246 18219
733 1 2 . 1 1 51 51 GLY C C 42 172.642 172.642 175.248 -2.606 18219
734 1 2 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.647 0.618 18219
735 1 2 . 1 1 51 51 GLY H H 42 8.199 8.199 7.873 0.326 18219
736 1 2 . 1 1 52 52 ALA N N 43 123.018 123.018 123.775 -0.757 18219
737 1 2 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.051 0.099 18219
738 1 2 . 1 1 52 52 ALA C C 43 176.398 176.398 178.869 -2.471 18219
739 1 2 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.354 -1.471 18219
740 1 2 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.893 -0.652 18219
741 1 2 . 1 1 52 52 ALA H H 43 7.758 7.758 7.954 -0.196 18219
742 1 2 . 1 1 53 53 TYR N N 44 119.664 119.664 116.130 3.534 18219
743 1 2 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.029 0.289 18219
744 1 2 . 1 1 53 53 TYR C C 44 174.180 174.180 175.280 -1.100 18219
745 1 2 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.491 -2.898 18219
746 1 2 . 1 1 53 53 TYR CB C 44 38.192 38.192 37.096 1.095 18219
747 1 2 . 1 1 53 53 TYR H H 44 7.920 7.920 8.427 -0.507 18219
748 1 2 . 1 1 54 54 ARG N N 45 119.516 119.516 118.622 0.894 18219
749 1 2 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.473 -0.543 18219
750 1 2 . 1 1 54 54 ARG C C 45 174.423 174.423 175.795 -1.372 18219
751 1 2 . 1 1 54 54 ARG CA C 45 56.027 56.027 55.523 0.504 18219
752 1 2 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.810 -1.637 18219
753 1 2 . 1 1 54 54 ARG H H 45 7.956 7.956 8.415 -0.459 18219
754 1 2 . 1 1 55 55 VAL N N 46 116.437 116.437 119.036 -2.599 18219
755 1 2 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.961 0.099 18219
756 1 2 . 1 1 55 55 VAL C C 46 173.806 173.806 175.141 -1.335 18219
757 1 2 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.481 -1.181 18219
758 1 2 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.787 -0.266 18219
759 1 2 . 1 1 55 55 VAL H H 46 7.489 7.489 7.017 0.472 18219
760 1 2 . 1 1 56 56 SER N N 47 117.185 117.185 112.884 4.301 18219
761 1 2 . 1 1 56 56 SER HA H 47 4.401 4.401 4.589 -0.188 18219
762 1 2 . 1 1 56 56 SER C C 47 172.074 172.074 175.372 -3.298 18219
763 1 2 . 1 1 56 56 SER CA C 47 58.133 58.133 57.863 0.270 18219
764 1 2 . 1 1 56 56 SER CB C 47 63.468 63.468 64.405 -0.937 18219
765 1 2 . 1 1 56 56 SER H H 47 7.728 7.728 7.324 0.404 18219
766 1 2 . 1 1 57 57 ASN N N 48 121.049 121.049 125.876 -4.827 18219
767 1 2 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.370 0.220 18219
768 1 2 . 1 1 57 57 ASN CA C 48 53.600 53.600 55.771 -2.171 18219
769 1 2 . 1 1 57 57 ASN CB C 48 38.641 38.641 37.239 1.402 18219
770 1 2 . 1 1 57 57 ASN H H 48 8.228 8.228 8.744 -0.516 18219
771 1 2 . 1 1 58 58 ASP N N 49 120.276 120.276 120.985 -0.709 18219
772 1 2 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.600 -0.070 18219
773 1 2 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.212 -1.010 18219
774 1 2 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.294 -0.920 18219
775 1 2 . 1 1 58 58 ASP H H 49 8.192 8.192 8.181 0.011 18219
776 1 2 . 1 1 59 59 LYS N N 50 120.660 120.660 116.615 4.045 18219
777 1 2 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.404 -0.204 18219
778 1 2 . 1 1 59 59 LYS C C 50 173.474 173.474 174.483 -1.009 18219
779 1 2 . 1 1 59 59 LYS CA C 50 56.300 56.300 54.906 1.394 18219
780 1 2 . 1 1 59 59 LYS CB C 50 32.034 32.034 35.539 -3.505 18219
781 1 2 . 1 1 59 59 LYS H H 50 8.003 8.003 7.408 0.595 18219
782 1 2 . 1 1 60 60 ARG N N 51 121.278 121.278 120.649 0.629 18219
783 1 2 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.209 -0.009 18219
784 1 2 . 1 1 60 60 ARG C C 51 173.303 173.303 175.561 -2.258 18219
785 1 2 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.166 -0.883 18219
786 1 2 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.442 -0.204 18219
787 1 2 . 1 1 60 60 ARG H H 51 8.091 8.091 8.499 -0.408 18219
788 1 2 . 1 1 61 61 ASP N N 52 121.185 121.185 121.405 -0.220 18219
789 1 2 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.649 -0.034 18219
790 1 2 . 1 1 61 61 ASP C C 52 173.777 173.777 177.785 -4.008 18219
791 1 2 . 1 1 61 61 ASP CA C 52 53.979 53.979 56.092 -2.113 18219
792 1 2 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.651 -1.406 18219
793 1 2 . 1 1 61 61 ASP H H 52 8.261 8.261 8.506 -0.245 18219
794 1 2 . 1 1 62 62 VAL N N 53 121.902 121.902 120.449 1.453 18219
795 1 2 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.788 0.162 18219
796 1 2 . 1 1 62 62 VAL C C 53 173.279 173.279 177.257 -3.978 18219
797 1 2 . 1 1 62 62 VAL CA C 53 63.176 63.176 64.650 -1.474 18219
798 1 2 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.041 1.058 18219
799 1 2 . 1 1 62 62 VAL H H 53 7.997 7.997 8.130 -0.133 18219
800 1 2 . 1 1 63 63 LYS N N 54 123.522 123.522 119.709 3.813 18219
801 1 2 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.076 0.184 18219
802 1 2 . 1 1 63 63 LYS C C 54 174.481 174.481 178.166 -3.685 18219
803 1 2 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.621 -3.275 18219
804 1 2 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.291 -0.192 18219
805 1 2 . 1 1 63 63 LYS H H 54 8.054 8.054 7.646 0.408 18219
806 1 2 . 1 1 64 64 VAL N N 55 120.647 120.647 119.653 0.994 18219
807 1 2 . 1 1 64 64 VAL HA H 55 3.947 3.947 4.010 -0.063 18219
808 1 2 . 1 1 64 64 VAL C C 55 174.955 174.955 178.129 -3.174 18219
809 1 2 . 1 1 64 64 VAL CA C 55 64.600 64.600 63.959 0.641 18219
810 1 2 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.217 0.660 18219
811 1 2 . 1 1 64 64 VAL H H 55 8.225 8.225 8.197 0.028 18219
812 1 2 . 1 1 65 65 SER N N 56 117.785 117.785 117.021 0.764 18219
813 1 2 . 1 1 65 65 SER HA H 56 4.390 4.390 4.276 0.114 18219
814 1 2 . 1 1 65 65 SER C C 56 172.300 172.300 176.514 -4.214 18219
815 1 2 . 1 1 65 65 SER CA C 56 60.000 60.000 62.088 -2.088 18219
816 1 2 . 1 1 65 65 SER CB C 56 62.879 62.879 62.983 -0.104 18219
817 1 2 . 1 1 65 65 SER H H 56 8.260 8.260 7.859 0.401 18219
818 1 2 . 1 1 66 66 LEU N N 57 123.318 123.318 122.648 0.670 18219
819 1 2 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.193 -0.103 18219
820 1 2 . 1 1 66 66 LEU C C 57 175.932 175.932 177.879 -1.947 18219
821 1 2 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.233 -0.731 18219
822 1 2 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.988 -0.267 18219
823 1 2 . 1 1 66 66 LEU H H 57 8.091 8.091 8.120 -0.029 18219
824 1 2 . 1 1 67 67 PHE N N 58 118.020 118.020 118.805 -0.785 18219
825 1 2 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.046 0.284 18219
826 1 2 . 1 1 67 67 PHE C C 58 174.912 174.912 177.314 -2.402 18219
827 1 2 . 1 1 67 67 PHE CA C 58 60.600 60.600 62.053 -1.453 18219
828 1 2 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.864 -0.312 18219
829 1 2 . 1 1 67 67 PHE H H 58 8.066 8.066 8.606 -0.540 18219
830 1 2 . 1 1 68 68 THR N N 59 115.324 115.324 116.288 -0.964 18219
831 1 2 . 1 1 68 68 THR HA H 59 4.310 4.310 3.972 0.338 18219
832 1 2 . 1 1 68 68 THR C C 59 173.380 173.380 176.225 -2.845 18219
833 1 2 . 1 1 68 68 THR CA C 59 66.313 66.313 67.703 -1.390 18219
834 1 2 . 1 1 68 68 THR CB C 59 67.700 67.700 68.667 -0.967 18219
835 1 2 . 1 1 68 68 THR H H 59 8.287 8.287 8.114 0.173 18219
836 1 2 . 1 1 69 69 ALA N N 60 123.621 123.621 124.671 -1.050 18219
837 1 2 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.101 0.179 18219
838 1 2 . 1 1 69 69 ALA C C 60 176.978 176.978 179.941 -2.963 18219
839 1 2 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.075 0.025 18219
840 1 2 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.288 -0.560 18219
841 1 2 . 1 1 69 69 ALA H H 60 7.983 7.983 8.036 -0.053 18219
842 1 2 . 1 1 70 70 PHE N N 61 118.520 118.520 118.649 -0.129 18219
843 1 2 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.160 0.100 18219
844 1 2 . 1 1 70 70 PHE C C 61 175.369 175.369 177.358 -1.989 18219
845 1 2 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.531 -1.352 18219
846 1 2 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.120 -0.414 18219
847 1 2 . 1 1 70 70 PHE H H 61 8.007 8.007 8.905 -0.898 18219
848 1 2 . 1 1 71 71 PHE N N 62 122.314 122.314 120.251 2.063 18219
849 1 2 . 1 1 71 71 PHE HA H 62 4.000 4.000 3.975 0.025 18219
850 1 2 . 1 1 71 71 PHE C C 62 174.697 174.697 177.550 -2.853 18219
851 1 2 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.618 -2.102 18219
852 1 2 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.961 -0.191 18219
853 1 2 . 1 1 71 71 PHE H H 62 8.546 8.546 8.106 0.440 18219
854 1 2 . 1 1 72 72 LEU N N 63 119.399 119.399 119.803 -0.404 18219
855 1 2 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.901 -0.031 18219
856 1 2 . 1 1 72 72 LEU C C 63 175.774 175.774 177.995 -2.221 18219
857 1 2 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.178 -1.253 18219
858 1 2 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.651 -0.444 18219
859 1 2 . 1 1 72 72 LEU H H 63 8.396 8.396 8.829 -0.433 18219
860 1 2 . 1 1 73 73 ALA N N 64 120.221 120.221 120.849 -0.628 18219
861 1 2 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.853 0.107 18219
862 1 2 . 1 1 73 73 ALA C C 64 177.267 177.267 179.674 -2.407 18219
863 1 2 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.493 -0.893 18219
864 1 2 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.747 0.037 18219
865 1 2 . 1 1 73 73 ALA H H 64 8.025 8.025 8.006 0.019 18219
866 1 2 . 1 1 74 74 THR N N 65 113.648 113.648 114.546 -0.898 18219
867 1 2 . 1 1 74 74 THR HA H 65 3.980 3.980 3.909 0.071 18219
868 1 2 . 1 1 74 74 THR CA C 65 66.291 66.291 66.595 -0.304 18219
869 1 2 . 1 1 74 74 THR CB C 65 67.914 67.914 68.550 -0.636 18219
870 1 2 . 1 1 74 74 THR H H 65 7.717 7.717 7.839 -0.122 18219
871 1 2 . 1 1 75 75 ILE N N 66 120.291 120.291 121.547 -1.256 18219
872 1 2 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.621 0.119 18219
873 1 2 . 1 1 75 75 ILE C C 66 174.951 174.951 177.396 -2.445 18219
874 1 2 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.047 0.833 18219
875 1 2 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.448 -0.282 18219
876 1 2 . 1 1 75 75 ILE H H 66 7.738 7.738 7.934 -0.196 18219
877 1 2 . 1 1 76 76 MET N N 67 117.618 117.618 117.682 -0.064 18219
878 1 2 . 1 1 76 76 MET HA H 67 4.220 4.220 4.228 -0.008 18219
879 1 2 . 1 1 76 76 MET C C 67 175.142 175.142 176.988 -1.846 18219
880 1 2 . 1 1 76 76 MET CA C 67 56.723 56.723 57.393 -0.670 18219
881 1 2 . 1 1 76 76 MET CB C 67 31.951 31.951 33.467 -1.516 18219
882 1 2 . 1 1 76 76 MET H H 67 7.823 7.823 8.407 -0.584 18219
883 1 2 . 1 1 77 77 GLY N N 68 107.110 107.110 104.118 2.992 18219
884 1 2 . 1 1 77 77 GLY C C 68 172.260 172.260 174.613 -2.353 18219
885 1 2 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.526 1.274 18219
886 1 2 . 1 1 77 77 GLY H H 68 7.937 7.937 8.034 -0.097 18219
887 1 2 . 1 1 78 78 VAL N N 69 120.431 120.431 118.243 2.188 18219
888 1 2 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.571 0.649 18219
889 1 2 . 1 1 78 78 VAL CA C 69 63.900 63.900 65.193 -1.293 18219
890 1 2 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.776 -0.270 18219
891 1 2 . 1 1 78 78 VAL H H 69 7.697 7.697 8.039 -0.342 18219
892 1 2 . 1 1 79 79 ARG N N 70 121.420 121.420 118.771 2.649 18219
893 1 2 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.050 -0.240 18219
894 1 2 . 1 1 79 79 ARG CA C 70 56.400 56.400 57.047 -0.647 18219
895 1 2 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.728 -0.631 18219
896 1 2 . 1 1 79 79 ARG H H 70 7.889 7.889 7.561 0.328 18219
897 1 2 . 1 1 80 80 PHE N N 71 119.949 119.949 124.884 -4.935 18219
898 1 2 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.014 0.496 18219
899 1 2 . 1 1 80 80 PHE CA C 71 58.600 58.600 61.296 -2.696 18219
900 1 2 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.302 -0.157 18219
901 1 2 . 1 1 80 80 PHE H H 71 8.101 8.101 8.634 -0.533 18219
902 1 2 . 1 1 81 81 LYS N N 72 122.193 122.193 115.954 6.239 18219
903 1 2 . 1 1 81 81 LYS CA C 72 56.800 56.800 58.730 -1.930 18219
904 1 2 . 1 1 81 81 LYS CB C 72 32.322 32.322 31.486 0.836 18219
905 1 2 . 1 1 81 81 LYS H H 72 8.090 8.090 8.304 -0.214 18219
906 1 2 . 1 1 82 82 ARG N N 73 119.650 119.650 118.206 1.444 18219
907 1 2 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.297 -0.207 18219
908 1 2 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.769 -1.598 18219
909 1 2 . 1 1 82 82 ARG H H 73 8.052 8.052 8.351 -0.299 18219
910 1 2 . 1 1 83 83 SER N N 74 115.734 115.734 113.455 2.279 18219
911 1 2 . 1 1 83 83 SER CA C 74 58.355 58.355 57.792 0.563 18219
912 1 2 . 1 1 83 83 SER CB C 74 63.404 63.404 64.499 -1.095 18219
913 1 2 . 1 1 83 83 SER H H 74 7.912 7.912 7.669 0.243 18219
914 1 2 . 1 1 84 84 LYS N N 75 122.370 122.370 121.144 1.226 18219
915 1 2 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.764 -0.629 18219
916 1 2 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.550 0.625 18219
917 1 2 . 1 1 84 84 LYS H H 75 8.067 8.067 8.443 -0.376 18219
918 1 2 . 1 1 86 86 ILE N N 77 119.592 119.592 112.296 7.296 18219
919 1 2 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.382 -0.572 18219
920 1 2 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.163 3.737 18219
921 1 2 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.768 0.377 18219
922 1 2 . 1 1 86 86 ILE H H 77 7.837 7.837 7.836 0.001 18219
923 1 2 . 1 1 87 87 MET N N 78 121.645 121.645 120.608 1.037 18219
924 1 2 . 1 1 87 87 MET CA C 78 52.982 52.982 58.654 -5.672 18219
925 1 2 . 1 1 87 87 MET CB C 78 32.173 32.173 31.229 0.944 18219
926 1 2 . 1 1 87 87 MET H H 78 7.950 7.950 7.516 0.434 18219
927 1 2 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.380 -0.240 18219
928 1 2 . 1 1 88 88 PRO C C 79 173.921 173.921 177.250 -3.329 18219
929 1 2 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.967 -0.167 18219
930 1 2 . 1 1 88 88 PRO CB C 79 31.136 31.136 32.032 -0.896 18219
931 1 2 . 1 1 89 89 ALA N N 80 124.431 124.431 118.936 5.495 18219
932 1 2 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.078 0.322 18219
933 1 2 . 1 1 89 89 ALA C C 80 176.234 176.234 179.558 -3.324 18219
934 1 2 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.364 -1.063 18219
935 1 2 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.280 1.218 18219
936 1 2 . 1 1 89 89 ALA H H 80 8.320 8.320 8.599 -0.279 18219
937 1 2 . 1 1 90 90 GLY N N 81 106.834 106.834 107.125 -0.291 18219
938 1 2 . 1 1 90 90 GLY C C 81 172.398 172.398 175.945 -3.547 18219
939 1 2 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.035 -1.435 18219
940 1 2 . 1 1 90 90 GLY H H 81 8.458 8.458 8.071 0.387 18219
941 1 2 . 1 1 91 91 LEU N N 82 121.043 121.043 121.226 -0.183 18219
942 1 2 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.042 0.158 18219
943 1 2 . 1 1 91 91 LEU C C 82 174.783 174.783 178.925 -4.142 18219
944 1 2 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.208 -1.908 18219
945 1 2 . 1 1 91 91 LEU CB C 82 42.106 42.106 40.978 1.128 18219
946 1 2 . 1 1 91 91 LEU H H 82 7.687 7.687 8.078 -0.391 18219
947 1 2 . 1 1 92 92 VAL N N 83 114.737 114.737 119.146 -4.409 18219
948 1 2 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.622 0.358 18219
949 1 2 . 1 1 92 92 VAL C C 83 173.634 173.634 177.889 -4.255 18219
950 1 2 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.940 -4.540 18219
951 1 2 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.334 0.251 18219
952 1 2 . 1 1 92 92 VAL H H 83 7.602 7.602 8.014 -0.412 18219
953 1 2 . 1 1 93 93 ALA N N 84 124.320 124.320 121.009 3.311 18219
954 1 2 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.982 0.168 18219
955 1 2 . 1 1 93 93 ALA C C 84 175.746 175.746 179.950 -4.204 18219
956 1 2 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.358 -2.058 18219
957 1 2 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.914 0.327 18219
958 1 2 . 1 1 93 93 ALA H H 84 7.891 7.891 8.265 -0.374 18219
959 1 2 . 1 1 94 94 GLY N N 85 106.807 106.807 107.238 -0.431 18219
960 1 2 . 1 1 94 94 GLY C C 85 171.752 171.752 175.833 -4.081 18219
961 1 2 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.573 -1.324 18219
962 1 2 . 1 1 94 94 GLY H H 85 8.204 8.204 8.048 0.156 18219
963 1 2 . 1 1 95 95 LEU N N 86 121.266 121.266 122.632 -1.366 18219
964 1 2 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.104 0.276 18219
965 1 2 . 1 1 95 95 LEU C C 86 173.702 173.702 179.055 -5.353 18219
966 1 2 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.604 -2.604 18219
967 1 2 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.088 1.210 18219
968 1 2 . 1 1 95 95 LEU H H 86 7.718 7.718 8.053 -0.335 18219
969 1 2 . 1 1 96 96 SER N N 87 115.658 115.658 115.700 -0.042 18219
970 1 2 . 1 1 96 96 SER HA H 87 4.370 4.370 4.272 0.098 18219
971 1 2 . 1 1 96 96 SER C C 87 172.479 172.479 176.924 -4.445 18219
972 1 2 . 1 1 96 96 SER CA C 87 57.200 57.200 61.774 -4.574 18219
973 1 2 . 1 1 96 96 SER CB C 87 64.174 64.174 62.901 1.274 18219
974 1 2 . 1 1 96 96 SER H H 87 7.659 7.659 8.193 -0.534 18219
975 1 2 . 1 1 97 97 LEU N N 88 123.720 123.720 122.919 0.801 18219
976 1 2 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.063 0.537 18219
977 1 2 . 1 1 97 97 LEU C C 88 175.932 175.932 179.412 -3.480 18219
978 1 2 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.823 -0.223 18219
979 1 2 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.251 0.149 18219
980 1 2 . 1 1 97 97 LEU H H 88 8.733 8.733 8.157 0.576 18219
981 1 2 . 1 1 98 98 MET N N 89 116.684 116.684 119.833 -3.149 18219
982 1 2 . 1 1 98 98 MET HA H 89 4.280 4.280 4.234 0.046 18219
983 1 2 . 1 1 98 98 MET C C 89 175.789 175.789 178.298 -2.509 18219
984 1 2 . 1 1 98 98 MET CA C 89 56.915 56.915 57.516 -0.601 18219
985 1 2 . 1 1 98 98 MET CB C 89 31.007 31.007 31.805 -0.798 18219
986 1 2 . 1 1 98 98 MET H H 89 8.342 8.342 8.469 -0.127 18219
987 1 2 . 1 1 99 99 MET N N 90 119.182 119.182 120.073 -0.891 18219
988 1 2 . 1 1 99 99 MET HA H 90 4.110 4.110 4.099 0.011 18219
989 1 2 . 1 1 99 99 MET C C 90 175.588 175.588 179.114 -3.526 18219
990 1 2 . 1 1 99 99 MET CA C 90 57.951 57.951 59.340 -1.389 18219
991 1 2 . 1 1 99 99 MET CB C 90 32.226 32.226 32.382 -0.156 18219
992 1 2 . 1 1 99 99 MET H H 90 7.720 7.720 8.086 -0.366 18219
993 1 2 . 1 1 100 100 ILE N N 91 119.077 119.077 119.859 -0.782 18219
994 1 2 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.852 0.258 18219
995 1 2 . 1 1 100 100 ILE C C 91 174.634 174.634 177.030 -2.396 18219
996 1 2 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.579 -0.479 18219
997 1 2 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.371 -1.228 18219
998 1 2 . 1 1 100 100 ILE H H 91 7.662 7.662 8.206 -0.544 18219
999 1 2 . 1 1 101 101 LEU N N 92 119.646 119.646 120.633 -0.987 18219
1000 1 2 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.957 0.573 18219
1001 1 2 . 1 1 101 101 LEU C C 92 175.430 175.430 178.015 -2.585 18219
1002 1 2 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.720 0.080 18219
1003 1 2 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.792 -1.034 18219
1004 1 2 . 1 1 101 101 LEU H H 92 8.142 8.142 7.738 0.404 18219
1005 1 2 . 1 1 102 102 ARG N N 93 116.394 116.394 117.171 -0.777 18219
1006 1 2 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.328 -0.188 18219
1007 1 2 . 1 1 102 102 ARG C C 93 175.961 175.961 178.743 -2.782 18219
1008 1 2 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.056 1.044 18219
1009 1 2 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.918 -1.514 18219
1010 1 2 . 1 1 102 102 ARG H H 93 7.893 7.893 7.932 -0.039 18219
1011 1 2 . 1 1 103 103 LEU N N 94 119.114 119.114 121.845 -2.731 18219
1012 1 2 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.139 -0.029 18219
1013 1 2 . 1 1 103 103 LEU C C 94 175.889 175.889 178.402 -2.513 18219
1014 1 2 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.683 -0.383 18219
1015 1 2 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.971 -0.675 18219
1016 1 2 . 1 1 103 103 LEU H H 94 7.622 7.622 7.806 -0.184 18219
1017 1 2 . 1 1 104 104 VAL N N 95 117.704 117.704 119.704 -2.000 18219
1018 1 2 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.722 -0.192 18219
1019 1 2 . 1 1 104 104 VAL C C 95 175.042 175.042 177.373 -2.331 18219
1020 1 2 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.657 0.762 18219
1021 1 2 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.954 -0.597 18219
1022 1 2 . 1 1 104 104 VAL H H 95 8.026 8.026 8.350 -0.324 18219
1023 1 2 . 1 1 105 105 LEU N N 96 117.185 117.185 112.880 4.305 18219
1024 1 2 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.486 -0.506 18219
1025 1 2 . 1 1 105 105 LEU C C 96 176.579 176.579 177.448 -0.869 18219
1026 1 2 . 1 1 105 105 LEU CA C 96 56.800 56.800 54.553 2.247 18219
1027 1 2 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.588 -1.637 18219
1028 1 2 . 1 1 105 105 LEU H H 96 7.893 7.893 7.532 0.361 18219
1029 1 2 . 1 1 106 106 LEU N N 97 118.471 118.471 118.828 -0.357 18219
1030 1 2 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.846 0.334 18219
1031 1 2 . 1 1 106 106 LEU C C 97 175.802 175.802 176.808 -1.006 18219
1032 1 2 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.681 0.619 18219
1033 1 2 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.300 0.292 18219
1034 1 2 . 1 1 106 106 LEU H H 97 7.545 7.545 7.453 0.092 18219
1035 1 2 . 1 1 107 107 LEU N N 98 118.162 118.162 117.923 0.239 18219
1036 1 2 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.201 0.029 18219
1037 1 2 . 1 1 107 107 LEU C C 98 174.174 174.174 177.871 -3.697 18219
1038 1 2 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.153 1.130 18219
1039 1 2 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.466 -0.104 18219
1040 1 2 . 1 1 107 107 LEU H H 98 7.688 7.688 8.125 -0.437 18219
1041 1 3 . 1 1 11 11 ASP N N 2 120.536 120.536 118.410 2.126 18219
1042 1 3 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.548 1.369 18219
1043 1 3 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.209 -3.251 18219
1044 1 3 . 1 1 11 11 ASP H H 2 7.863 7.863 8.036 -0.173 18219
1045 1 3 . 1 1 12 12 LEU N N 3 121.414 121.414 121.419 -0.005 18219
1046 1 3 . 1 1 12 12 LEU C C 3 176.162 176.162 179.289 -3.127 18219
1047 1 3 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.081 1.519 18219
1048 1 3 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.096 -0.439 18219
1049 1 3 . 1 1 12 12 LEU H H 3 8.285 8.285 7.860 0.425 18219
1050 1 3 . 1 1 13 13 ILE N N 4 118.854 118.854 118.646 0.208 18219
1051 1 3 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.857 -0.117 18219
1052 1 3 . 1 1 13 13 ILE C C 4 175.228 175.228 177.631 -2.403 18219
1053 1 3 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.594 0.906 18219
1054 1 3 . 1 1 13 13 ILE CB C 4 37.102 37.102 37.915 -0.813 18219
1055 1 3 . 1 1 13 13 ILE H H 4 8.031 8.031 7.852 0.179 18219
1056 1 3 . 1 1 14 14 GLY N N 5 107.478 107.478 106.359 1.119 18219
1057 1 3 . 1 1 14 14 GLY C C 5 174.424 174.424 176.071 -1.647 18219
1058 1 3 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.710 0.349 18219
1059 1 3 . 1 1 14 14 GLY H H 5 8.148 8.148 8.223 -0.075 18219
1060 1 3 . 1 1 15 15 PHE N N 6 122.774 122.774 123.721 -0.947 18219
1061 1 3 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.239 0.241 18219
1062 1 3 . 1 1 15 15 PHE C C 6 175.113 175.113 177.191 -2.078 18219
1063 1 3 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.795 -1.778 18219
1064 1 3 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.530 0.244 18219
1065 1 3 . 1 1 15 15 PHE H H 6 8.194 8.194 8.568 -0.374 18219
1066 1 3 . 1 1 16 16 GLY N N 7 107.938 107.938 106.723 1.215 18219
1067 1 3 . 1 1 16 16 GLY C C 7 171.838 171.838 175.658 -3.820 18219
1068 1 3 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.599 -0.499 18219
1069 1 3 . 1 1 16 16 GLY H H 7 8.697 8.697 8.642 0.055 18219
1070 1 3 . 1 1 17 17 TYR N N 8 121.785 121.785 123.018 -1.233 18219
1071 1 3 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.121 0.029 18219
1072 1 3 . 1 1 17 17 TYR C C 8 174.180 174.180 177.713 -3.533 18219
1073 1 3 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.567 -0.267 18219
1074 1 3 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.310 -0.352 18219
1075 1 3 . 1 1 17 17 TYR H H 8 8.710 8.710 8.415 0.295 18219
1076 1 3 . 1 1 18 18 ALA N N 9 120.233 120.233 120.899 -0.666 18219
1077 1 3 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.963 -0.013 18219
1078 1 3 . 1 1 18 18 ALA C C 9 178.059 178.059 178.804 -0.745 18219
1079 1 3 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.503 0.369 18219
1080 1 3 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.692 -0.130 18219
1081 1 3 . 1 1 18 18 ALA H H 9 7.843 7.843 7.838 0.005 18219
1082 1 3 . 1 1 19 19 ALA N N 10 121.797 121.797 122.932 -1.135 18219
1083 1 3 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.001 -0.051 18219
1084 1 3 . 1 1 19 19 ALA C C 10 176.191 176.191 179.436 -3.245 18219
1085 1 3 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.947 -0.347 18219
1086 1 3 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.373 -0.811 18219
1087 1 3 . 1 1 19 19 ALA H H 10 8.212 8.212 8.215 -0.003 18219
1088 1 3 . 1 1 20 20 LEU N N 11 119.442 119.442 117.338 2.104 18219
1089 1 3 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.001 -0.064 18219
1090 1 3 . 1 1 20 20 LEU C C 11 176.694 176.694 178.894 -2.200 18219
1091 1 3 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.968 -0.168 18219
1092 1 3 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.047 0.174 18219
1093 1 3 . 1 1 20 20 LEU H H 11 8.065 8.065 8.289 -0.224 18219
1094 1 3 . 1 1 21 21 VAL N N 12 118.323 118.323 120.387 -2.064 18219
1095 1 3 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.560 0.080 18219
1096 1 3 . 1 1 21 21 VAL C C 12 176.536 176.536 178.560 -2.024 18219
1097 1 3 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.994 -1.594 18219
1098 1 3 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.727 0.408 18219
1099 1 3 . 1 1 21 21 VAL H H 12 8.051 8.051 8.453 -0.402 18219
1100 1 3 . 1 1 22 22 THR N N 13 118.298 118.298 116.584 1.714 18219
1101 1 3 . 1 1 22 22 THR HA H 13 4.660 4.660 4.025 0.635 18219
1102 1 3 . 1 1 22 22 THR C C 13 173.734 173.734 176.544 -2.810 18219
1103 1 3 . 1 1 22 22 THR CA C 13 66.300 66.300 66.660 -0.360 18219
1104 1 3 . 1 1 22 22 THR CB C 13 67.775 67.775 68.487 -0.712 18219
1105 1 3 . 1 1 22 22 THR H H 13 7.944 7.944 7.987 -0.043 18219
1106 1 3 . 1 1 23 23 PHE N N 14 121.328 121.328 122.509 -1.181 18219
1107 1 3 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.231 0.109 18219
1108 1 3 . 1 1 23 23 PHE C C 14 174.783 174.783 177.166 -2.383 18219
1109 1 3 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.518 -1.018 18219
1110 1 3 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.828 -0.202 18219
1111 1 3 . 1 1 23 23 PHE H H 14 8.567 8.567 8.404 0.163 18219
1112 1 3 . 1 1 24 24 GLY N N 15 106.871 106.871 105.226 1.645 18219
1113 1 3 . 1 1 24 24 GLY C C 15 172.858 172.858 176.632 -3.774 18219
1114 1 3 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.203 -0.303 18219
1115 1 3 . 1 1 24 24 GLY H H 15 8.475 8.475 8.856 -0.381 18219
1116 1 3 . 1 1 25 25 SER N N 16 116.214 116.214 118.484 -2.270 18219
1117 1 3 . 1 1 25 25 SER HA H 16 4.280 4.280 4.193 0.087 18219
1118 1 3 . 1 1 25 25 SER CA C 16 60.300 60.300 61.724 -1.425 18219
1119 1 3 . 1 1 25 25 SER CB C 16 62.879 62.879 63.196 -0.317 18219
1120 1 3 . 1 1 25 25 SER H H 16 7.963 7.963 7.918 0.045 18219
1121 1 3 . 1 1 26 26 ILE N N 17 121.024 121.024 122.457 -1.433 18219
1122 1 3 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.546 0.400 18219
1123 1 3 . 1 1 26 26 ILE C C 17 173.935 173.935 178.093 -4.158 18219
1124 1 3 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.001 -1.901 18219
1125 1 3 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.077 0.030 18219
1126 1 3 . 1 1 26 26 ILE H H 17 7.676 7.676 7.949 -0.273 18219
1127 1 3 . 1 1 27 27 PHE N N 18 117.142 117.142 119.055 -1.913 18219
1128 1 3 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.032 0.398 18219
1129 1 3 . 1 1 27 27 PHE C C 18 173.504 173.504 177.898 -4.394 18219
1130 1 3 . 1 1 27 27 PHE CA C 18 58.500 58.500 61.244 -2.744 18219
1131 1 3 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.475 0.299 18219
1132 1 3 . 1 1 27 27 PHE H H 18 7.703 7.703 8.174 -0.471 18219
1133 1 3 . 1 1 28 28 GLY N N 19 107.303 107.303 106.031 1.272 18219
1134 1 3 . 1 1 28 28 GLY C C 19 171.593 171.593 174.185 -2.592 18219
1135 1 3 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.874 -0.274 18219
1136 1 3 . 1 1 28 28 GLY H H 19 7.722 7.722 7.766 -0.044 18219
1137 1 3 . 1 1 29 29 TYR N N 20 119.862 119.862 119.815 0.047 18219
1138 1 3 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.096 0.296 18219
1139 1 3 . 1 1 29 29 TYR C C 20 173.174 173.174 174.925 -1.751 18219
1140 1 3 . 1 1 29 29 TYR CA C 20 58.500 58.500 57.959 0.541 18219
1141 1 3 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.462 0.942 18219
1142 1 3 . 1 1 29 29 TYR H H 20 7.880 7.880 7.718 0.162 18219
1143 1 3 . 1 1 30 30 LYS N N 21 122.335 122.335 125.117 -2.782 18219
1144 1 3 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.071 0.319 18219
1145 1 3 . 1 1 30 30 LYS C C 21 173.547 173.547 176.638 -3.091 18219
1146 1 3 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.069 -1.269 18219
1147 1 3 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.193 -0.797 18219
1148 1 3 . 1 1 30 30 LYS H H 21 7.934 7.934 8.440 -0.506 18219
1149 1 3 . 1 1 31 31 ARG N N 22 120.612 120.612 121.920 -1.308 18219
1150 1 3 . 1 1 31 31 ARG C C 22 173.547 173.547 176.559 -3.012 18219
1151 1 3 . 1 1 31 31 ARG CA C 22 55.834 55.834 58.080 -2.246 18219
1152 1 3 . 1 1 31 31 ARG CB C 22 30.101 30.101 29.279 0.822 18219
1153 1 3 . 1 1 31 31 ARG H H 22 7.905 7.905 8.645 -0.740 18219
1154 1 3 . 1 1 32 32 ARG N N 23 121.748 121.748 126.020 -4.272 18219
1155 1 3 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.315 -0.005 18219
1156 1 3 . 1 1 32 32 ARG C C 23 173.863 173.863 176.120 -2.257 18219
1157 1 3 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.847 -2.047 18219
1158 1 3 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.908 -0.663 18219
1159 1 3 . 1 1 32 32 ARG H H 23 8.175 8.175 8.530 -0.355 18219
1160 1 3 . 1 1 33 33 GLY N N 24 109.528 109.528 103.710 5.818 18219
1161 1 3 . 1 1 33 33 GLY C C 24 171.752 171.752 172.836 -1.084 18219
1162 1 3 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.981 -0.081 18219
1163 1 3 . 1 1 33 33 GLY H H 24 8.264 8.264 8.149 0.115 18219
1164 1 3 . 1 1 34 34 GLY N N 25 108.563 108.563 109.485 -0.922 18219
1165 1 3 . 1 1 34 34 GLY C C 25 171.701 171.701 174.107 -2.406 18219
1166 1 3 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.384 0.216 18219
1167 1 3 . 1 1 34 34 GLY H H 25 8.208 8.208 7.612 0.596 18219
1168 1 3 . 1 1 35 35 VAL N N 26 121.164 121.164 121.786 -0.622 18219
1169 1 3 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.003 0.007 18219
1170 1 3 . 1 1 35 35 VAL C C 26 175.888 175.888 176.001 -0.113 18219
1171 1 3 . 1 1 35 35 VAL CA C 26 63.900 63.900 65.148 -1.248 18219
1172 1 3 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.017 -0.327 18219
1173 1 3 . 1 1 35 35 VAL H H 26 8.485 8.485 8.161 0.324 18219
1174 1 3 . 1 1 36 36 PRO C C 27 177.660 177.660 175.825 1.835 18219
1175 1 3 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.093 -1.246 18219
1176 1 3 . 1 1 37 37 SER N N 28 116.023 116.023 116.168 -0.145 18219
1177 1 3 . 1 1 37 37 SER HA H 28 4.280 4.280 4.467 -0.187 18219
1178 1 3 . 1 1 37 37 SER CA C 28 61.100 61.100 58.881 2.219 18219
1179 1 3 . 1 1 37 37 SER H H 28 7.948 7.948 8.098 -0.150 18219
1180 1 3 . 1 1 38 38 LEU N N 29 124.029 124.029 122.603 1.426 18219
1181 1 3 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.929 0.241 18219
1182 1 3 . 1 1 38 38 LEU C C 29 176.132 176.132 178.488 -2.356 18219
1183 1 3 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.055 -0.555 18219
1184 1 3 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.991 1.047 18219
1185 1 3 . 1 1 38 38 LEU H H 29 8.201 8.201 7.926 0.275 18219
1186 1 3 . 1 1 39 39 ILE N N 30 117.098 117.098 119.347 -2.249 18219
1187 1 3 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.683 0.687 18219
1188 1 3 . 1 1 39 39 ILE C C 30 176.478 176.478 177.250 -0.772 18219
1189 1 3 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.463 -0.384 18219
1190 1 3 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.240 -0.267 18219
1191 1 3 . 1 1 39 39 ILE H H 30 7.662 7.662 8.142 -0.480 18219
1192 1 3 . 1 1 40 40 ALA N N 31 122.447 122.447 121.692 0.755 18219
1193 1 3 . 1 1 40 40 ALA HA H 31 4.034 4.034 3.988 0.046 18219
1194 1 3 . 1 1 40 40 ALA C C 31 177.067 177.067 179.769 -2.702 18219
1195 1 3 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.554 0.408 18219
1196 1 3 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.721 0.135 18219
1197 1 3 . 1 1 40 40 ALA H H 31 8.096 8.096 8.112 -0.016 18219
1198 1 3 . 1 1 41 41 GLY N N 32 104.056 104.056 107.539 -3.483 18219
1199 1 3 . 1 1 41 41 GLY C C 32 174.251 174.251 175.879 -1.628 18219
1200 1 3 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.820 -0.320 18219
1201 1 3 . 1 1 41 41 GLY H H 32 8.123 8.123 8.122 0.001 18219
1202 1 3 . 1 1 42 42 LEU N N 33 123.250 123.250 122.921 0.329 18219
1203 1 3 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.942 -0.085 18219
1204 1 3 . 1 1 42 42 LEU C C 33 176.033 176.033 178.441 -2.408 18219
1205 1 3 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.999 -1.331 18219
1206 1 3 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.047 -0.326 18219
1207 1 3 . 1 1 42 42 LEU H H 33 7.914 7.914 8.368 -0.455 18219
1208 1 3 . 1 1 43 43 PHE N N 34 119.757 119.757 119.234 0.523 18219
1209 1 3 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.045 0.155 18219
1210 1 3 . 1 1 43 43 PHE C C 34 174.374 174.374 177.387 -3.013 18219
1211 1 3 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.161 -2.285 18219
1212 1 3 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.826 0.008 18219
1213 1 3 . 1 1 43 43 PHE H H 34 8.287 8.287 8.484 -0.197 18219
1214 1 3 . 1 1 44 44 VAL N N 35 117.791 117.791 118.550 -0.759 18219
1215 1 3 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.586 0.024 18219
1216 1 3 . 1 1 44 44 VAL C C 35 176.205 176.205 178.425 -2.220 18219
1217 1 3 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.040 -1.481 18219
1218 1 3 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.689 0.742 18219
1219 1 3 . 1 1 44 44 VAL H H 35 8.235 8.235 8.487 -0.252 18219
1220 1 3 . 1 1 45 45 GLY N N 36 108.551 108.551 106.792 1.759 18219
1221 1 3 . 1 1 45 45 GLY C C 36 173.749 173.749 175.962 -2.213 18219
1222 1 3 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.100 -1.017 18219
1223 1 3 . 1 1 45 45 GLY H H 36 8.178 8.178 8.461 -0.283 18219
1224 1 3 . 1 1 46 46 CYS N N 37 121.173 121.173 122.373 -1.200 18219
1225 1 3 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.095 0.085 18219
1226 1 3 . 1 1 46 46 CYS C C 37 173.710 173.710 176.665 -2.955 18219
1227 1 3 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.986 -0.987 18219
1228 1 3 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.305 32.978 18219
1229 1 3 . 1 1 46 46 CYS H H 37 8.253 8.253 8.121 0.132 18219
1230 1 3 . 1 1 47 47 LEU N N 38 120.283 120.283 119.571 0.712 18219
1231 1 3 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.850 0.210 18219
1232 1 3 . 1 1 47 47 LEU C C 38 176.679 176.679 178.908 -2.229 18219
1233 1 3 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.579 -1.552 18219
1234 1 3 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.048 0.416 18219
1235 1 3 . 1 1 47 47 LEU H H 38 7.965 7.965 8.259 -0.294 18219
1236 1 3 . 1 1 48 48 ALA N N 39 122.249 122.249 121.834 0.415 18219
1237 1 3 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.960 0.182 18219
1238 1 3 . 1 1 48 48 ALA C C 39 177.915 177.915 179.692 -1.777 18219
1239 1 3 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.029 -1.312 18219
1240 1 3 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.154 -0.168 18219
1241 1 3 . 1 1 48 48 ALA H H 39 8.066 8.066 8.201 -0.135 18219
1242 1 3 . 1 1 49 49 GLY N N 40 107.377 107.377 107.215 0.162 18219
1243 1 3 . 1 1 49 49 GLY C C 40 172.527 172.527 175.470 -2.943 18219
1244 1 3 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.512 -1.062 18219
1245 1 3 . 1 1 49 49 GLY H H 40 8.172 8.172 8.369 -0.197 18219
1246 1 3 . 1 1 50 50 TYR N N 41 122.409 122.409 123.362 -0.953 18219
1247 1 3 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.603 0.196 18219
1248 1 3 . 1 1 50 50 TYR C C 41 174.208 174.208 176.850 -2.642 18219
1249 1 3 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.750 -1.505 18219
1250 1 3 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.358 -0.422 18219
1251 1 3 . 1 1 50 50 TYR H H 41 7.800 7.800 8.431 -0.631 18219
1252 1 3 . 1 1 51 51 GLY N N 42 106.935 106.935 104.504 2.431 18219
1253 1 3 . 1 1 51 51 GLY C C 42 172.642 172.642 174.944 -2.302 18219
1254 1 3 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.380 0.885 18219
1255 1 3 . 1 1 51 51 GLY H H 42 8.199 8.199 7.968 0.231 18219
1256 1 3 . 1 1 52 52 ALA N N 43 123.018 123.018 124.209 -1.191 18219
1257 1 3 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.163 -0.013 18219
1258 1 3 . 1 1 52 52 ALA C C 43 176.398 176.398 179.483 -3.085 18219
1259 1 3 . 1 1 52 52 ALA CA C 43 52.883 52.883 53.173 -0.290 18219
1260 1 3 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.236 0.005 18219
1261 1 3 . 1 1 52 52 ALA H H 43 7.758 7.758 7.984 -0.226 18219
1262 1 3 . 1 1 53 53 TYR N N 44 119.664 119.664 120.904 -1.240 18219
1263 1 3 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.062 0.256 18219
1264 1 3 . 1 1 53 53 TYR C C 44 174.180 174.180 177.224 -3.044 18219
1265 1 3 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.469 -2.876 18219
1266 1 3 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.277 -0.085 18219
1267 1 3 . 1 1 53 53 TYR H H 44 7.920 7.920 8.398 -0.478 18219
1268 1 3 . 1 1 54 54 ARG N N 45 119.516 119.516 115.982 3.534 18219
1269 1 3 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.385 -0.455 18219
1270 1 3 . 1 1 54 54 ARG C C 45 174.423 174.423 176.323 -1.900 18219
1271 1 3 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.091 -0.064 18219
1272 1 3 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.134 -0.961 18219
1273 1 3 . 1 1 54 54 ARG H H 45 7.956 7.956 8.285 -0.329 18219
1274 1 3 . 1 1 55 55 VAL N N 46 116.437 116.437 120.051 -3.614 18219
1275 1 3 . 1 1 55 55 VAL HA H 46 4.060 4.060 4.190 -0.130 18219
1276 1 3 . 1 1 55 55 VAL C C 46 173.806 173.806 175.175 -1.369 18219
1277 1 3 . 1 1 55 55 VAL CA C 46 62.300 62.300 62.497 -0.197 18219
1278 1 3 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.549 -1.028 18219
1279 1 3 . 1 1 55 55 VAL H H 46 7.489 7.489 7.632 -0.143 18219
1280 1 3 . 1 1 56 56 SER N N 47 117.185 117.185 114.696 2.489 18219
1281 1 3 . 1 1 56 56 SER HA H 47 4.401 4.401 4.385 0.016 18219
1282 1 3 . 1 1 56 56 SER C C 47 172.074 172.074 174.217 -2.143 18219
1283 1 3 . 1 1 56 56 SER CA C 47 58.133 58.133 59.597 -1.464 18219
1284 1 3 . 1 1 56 56 SER CB C 47 63.468 63.468 63.834 -0.366 18219
1285 1 3 . 1 1 56 56 SER H H 47 7.728 7.728 7.464 0.264 18219
1286 1 3 . 1 1 57 57 ASN N N 48 121.049 121.049 122.613 -1.564 18219
1287 1 3 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.818 -0.228 18219
1288 1 3 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.113 -0.513 18219
1289 1 3 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.548 0.092 18219
1290 1 3 . 1 1 57 57 ASN H H 48 8.228 8.228 8.530 -0.302 18219
1291 1 3 . 1 1 58 58 ASP N N 49 120.276 120.276 120.680 -0.404 18219
1292 1 3 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.756 -0.226 18219
1293 1 3 . 1 1 58 58 ASP CA C 49 54.202 54.202 53.846 0.356 18219
1294 1 3 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.894 -1.520 18219
1295 1 3 . 1 1 58 58 ASP H H 49 8.192 8.192 8.460 -0.268 18219
1296 1 3 . 1 1 59 59 LYS N N 50 120.660 120.660 120.016 0.644 18219
1297 1 3 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.420 -0.220 18219
1298 1 3 . 1 1 59 59 LYS C C 50 173.474 173.474 176.762 -3.288 18219
1299 1 3 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.652 0.648 18219
1300 1 3 . 1 1 59 59 LYS CB C 50 32.034 32.034 33.535 -1.501 18219
1301 1 3 . 1 1 59 59 LYS H H 50 8.003 8.003 8.040 -0.037 18219
1302 1 3 . 1 1 60 60 ARG N N 51 121.278 121.278 120.252 1.026 18219
1303 1 3 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.153 0.047 18219
1304 1 3 . 1 1 60 60 ARG C C 51 173.303 173.303 175.796 -2.493 18219
1305 1 3 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.090 -0.807 18219
1306 1 3 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.386 -0.148 18219
1307 1 3 . 1 1 60 60 ARG H H 51 8.091 8.091 8.442 -0.351 18219
1308 1 3 . 1 1 61 61 ASP N N 52 121.185 121.185 118.571 2.614 18219
1309 1 3 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.724 -0.109 18219
1310 1 3 . 1 1 61 61 ASP C C 52 173.777 173.777 177.461 -3.684 18219
1311 1 3 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.625 -1.646 18219
1312 1 3 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.954 -1.709 18219
1313 1 3 . 1 1 61 61 ASP H H 52 8.261 8.261 8.365 -0.104 18219
1314 1 3 . 1 1 62 62 VAL N N 53 121.902 121.902 120.655 1.247 18219
1315 1 3 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.157 -0.207 18219
1316 1 3 . 1 1 62 62 VAL C C 53 173.279 173.279 177.228 -3.949 18219
1317 1 3 . 1 1 62 62 VAL CA C 53 63.176 63.176 64.210 -1.034 18219
1318 1 3 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.950 0.149 18219
1319 1 3 . 1 1 62 62 VAL H H 53 7.997 7.997 8.123 -0.126 18219
1320 1 3 . 1 1 63 63 LYS N N 54 123.522 123.522 121.278 2.244 18219
1321 1 3 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.194 0.066 18219
1322 1 3 . 1 1 63 63 LYS C C 54 174.481 174.481 178.661 -4.180 18219
1323 1 3 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.297 -2.950 18219
1324 1 3 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.402 -0.303 18219
1325 1 3 . 1 1 63 63 LYS H H 54 8.054 8.054 8.314 -0.260 18219
1326 1 3 . 1 1 64 64 VAL N N 55 120.647 120.647 118.059 2.588 18219
1327 1 3 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.928 0.019 18219
1328 1 3 . 1 1 64 64 VAL C C 55 174.955 174.955 177.584 -2.629 18219
1329 1 3 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.406 -0.806 18219
1330 1 3 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.058 0.819 18219
1331 1 3 . 1 1 64 64 VAL H H 55 8.225 8.225 8.082 0.143 18219
1332 1 3 . 1 1 65 65 SER N N 56 117.785 117.785 116.593 1.192 18219
1333 1 3 . 1 1 65 65 SER HA H 56 4.390 4.390 4.234 0.156 18219
1334 1 3 . 1 1 65 65 SER C C 56 172.300 172.300 176.513 -4.213 18219
1335 1 3 . 1 1 65 65 SER CA C 56 60.000 60.000 61.767 -1.767 18219
1336 1 3 . 1 1 65 65 SER CB C 56 62.879 62.879 62.915 -0.036 18219
1337 1 3 . 1 1 65 65 SER H H 56 8.260 8.260 7.803 0.457 18219
1338 1 3 . 1 1 66 66 LEU N N 57 123.318 123.318 122.399 0.919 18219
1339 1 3 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.118 -0.028 18219
1340 1 3 . 1 1 66 66 LEU C C 57 175.932 175.932 178.122 -2.190 18219
1341 1 3 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.489 -0.987 18219
1342 1 3 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.995 -0.274 18219
1343 1 3 . 1 1 66 66 LEU H H 57 8.091 8.091 8.105 -0.014 18219
1344 1 3 . 1 1 67 67 PHE N N 58 118.020 118.020 118.576 -0.556 18219
1345 1 3 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.085 0.245 18219
1346 1 3 . 1 1 67 67 PHE C C 58 174.912 174.912 177.381 -2.469 18219
1347 1 3 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.760 -1.160 18219
1348 1 3 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.775 -0.223 18219
1349 1 3 . 1 1 67 67 PHE H H 58 8.066 8.066 8.602 -0.536 18219
1350 1 3 . 1 1 68 68 THR N N 59 115.324 115.324 116.591 -1.267 18219
1351 1 3 . 1 1 68 68 THR HA H 59 4.310 4.310 4.040 0.270 18219
1352 1 3 . 1 1 68 68 THR C C 59 173.380 173.380 176.328 -2.948 18219
1353 1 3 . 1 1 68 68 THR CA C 59 66.313 66.313 66.762 -0.449 18219
1354 1 3 . 1 1 68 68 THR CB C 59 67.700 67.700 68.383 -0.683 18219
1355 1 3 . 1 1 68 68 THR H H 59 8.287 8.287 8.247 0.040 18219
1356 1 3 . 1 1 69 69 ALA N N 60 123.621 123.621 124.423 -0.802 18219
1357 1 3 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.123 0.157 18219
1358 1 3 . 1 1 69 69 ALA C C 60 176.978 176.978 179.911 -2.933 18219
1359 1 3 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.118 -0.018 18219
1360 1 3 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.152 -0.424 18219
1361 1 3 . 1 1 69 69 ALA H H 60 7.983 7.983 8.130 -0.147 18219
1362 1 3 . 1 1 70 70 PHE N N 61 118.520 118.520 119.190 -0.670 18219
1363 1 3 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.121 0.139 18219
1364 1 3 . 1 1 70 70 PHE C C 61 175.369 175.369 177.288 -1.919 18219
1365 1 3 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.789 -1.610 18219
1366 1 3 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.975 -0.269 18219
1367 1 3 . 1 1 70 70 PHE H H 61 8.007 8.007 8.776 -0.769 18219
1368 1 3 . 1 1 71 71 PHE N N 62 122.314 122.314 120.043 2.271 18219
1369 1 3 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.108 -0.108 18219
1370 1 3 . 1 1 71 71 PHE C C 62 174.697 174.697 177.728 -3.031 18219
1371 1 3 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.532 -2.015 18219
1372 1 3 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.146 -0.376 18219
1373 1 3 . 1 1 71 71 PHE H H 62 8.546 8.546 8.154 0.392 18219
1374 1 3 . 1 1 72 72 LEU N N 63 119.399 119.399 119.580 -0.181 18219
1375 1 3 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.896 -0.026 18219
1376 1 3 . 1 1 72 72 LEU C C 63 175.774 175.774 178.931 -3.157 18219
1377 1 3 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.168 -1.243 18219
1378 1 3 . 1 1 72 72 LEU CB C 63 41.207 41.207 40.981 0.226 18219
1379 1 3 . 1 1 72 72 LEU H H 63 8.396 8.396 8.772 -0.376 18219
1380 1 3 . 1 1 73 73 ALA N N 64 120.221 120.221 120.522 -0.301 18219
1381 1 3 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.895 0.065 18219
1382 1 3 . 1 1 73 73 ALA C C 64 177.267 177.267 179.683 -2.416 18219
1383 1 3 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.291 -0.691 18219
1384 1 3 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.089 -0.305 18219
1385 1 3 . 1 1 73 73 ALA H H 64 8.025 8.025 8.126 -0.101 18219
1386 1 3 . 1 1 74 74 THR N N 65 113.648 113.648 114.407 -0.759 18219
1387 1 3 . 1 1 74 74 THR HA H 65 3.980 3.980 3.898 0.082 18219
1388 1 3 . 1 1 74 74 THR CA C 65 66.291 66.291 66.299 -0.008 18219
1389 1 3 . 1 1 74 74 THR CB C 65 67.914 67.914 68.743 -0.829 18219
1390 1 3 . 1 1 74 74 THR H H 65 7.717 7.717 8.122 -0.405 18219
1391 1 3 . 1 1 75 75 ILE N N 66 120.291 120.291 120.304 -0.013 18219
1392 1 3 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.888 -0.148 18219
1393 1 3 . 1 1 75 75 ILE C C 66 174.951 174.951 177.164 -2.213 18219
1394 1 3 . 1 1 75 75 ILE CA C 66 64.880 64.880 62.260 2.620 18219
1395 1 3 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.605 -0.439 18219
1396 1 3 . 1 1 75 75 ILE H H 66 7.738 7.738 7.848 -0.110 18219
1397 1 3 . 1 1 76 76 MET N N 67 117.618 117.618 116.905 0.713 18219
1398 1 3 . 1 1 76 76 MET HA H 67 4.220 4.220 4.143 0.077 18219
1399 1 3 . 1 1 76 76 MET C C 67 175.142 175.142 177.321 -2.179 18219
1400 1 3 . 1 1 76 76 MET CA C 67 56.723 56.723 58.245 -1.522 18219
1401 1 3 . 1 1 76 76 MET CB C 67 31.951 31.951 33.511 -1.560 18219
1402 1 3 . 1 1 76 76 MET H H 67 7.823 7.823 8.604 -0.781 18219
1403 1 3 . 1 1 77 77 GLY N N 68 107.110 107.110 102.414 4.696 18219
1404 1 3 . 1 1 77 77 GLY C C 68 172.260 172.260 174.052 -1.792 18219
1405 1 3 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.313 1.487 18219
1406 1 3 . 1 1 77 77 GLY H H 68 7.937 7.937 8.170 -0.233 18219
1407 1 3 . 1 1 78 78 VAL N N 69 120.431 120.431 118.098 2.333 18219
1408 1 3 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.816 0.404 18219
1409 1 3 . 1 1 78 78 VAL CA C 69 63.900 63.900 63.903 -0.003 18219
1410 1 3 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.820 -0.314 18219
1411 1 3 . 1 1 78 78 VAL H H 69 7.697 7.697 7.592 0.105 18219
1412 1 3 . 1 1 79 79 ARG N N 70 121.420 121.420 118.510 2.910 18219
1413 1 3 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.177 -0.367 18219
1414 1 3 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.957 0.443 18219
1415 1 3 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.733 -0.636 18219
1416 1 3 . 1 1 79 79 ARG H H 70 7.889 7.889 7.637 0.252 18219
1417 1 3 . 1 1 80 80 PHE N N 71 119.949 119.949 121.536 -1.587 18219
1418 1 3 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.301 0.209 18219
1419 1 3 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.813 -1.213 18219
1420 1 3 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.117 0.028 18219
1421 1 3 . 1 1 80 80 PHE H H 71 8.101 8.101 8.599 -0.498 18219
1422 1 3 . 1 1 81 81 LYS N N 72 122.193 122.193 125.893 -3.700 18219
1423 1 3 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.485 0.315 18219
1424 1 3 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.413 -1.091 18219
1425 1 3 . 1 1 81 81 LYS H H 72 8.090 8.090 8.266 -0.176 18219
1426 1 3 . 1 1 82 82 ARG N N 73 119.650 119.650 116.574 3.076 18219
1427 1 3 . 1 1 82 82 ARG CA C 73 56.089 56.089 57.018 -0.929 18219
1428 1 3 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.754 -1.583 18219
1429 1 3 . 1 1 82 82 ARG H H 73 8.052 8.052 8.147 -0.095 18219
1430 1 3 . 1 1 83 83 SER N N 74 115.734 115.734 111.892 3.842 18219
1431 1 3 . 1 1 83 83 SER CA C 74 58.355 58.355 58.317 0.038 18219
1432 1 3 . 1 1 83 83 SER CB C 74 63.404 63.404 63.785 -0.381 18219
1433 1 3 . 1 1 83 83 SER H H 74 7.912 7.912 7.631 0.281 18219
1434 1 3 . 1 1 84 84 LYS N N 75 122.370 122.370 125.696 -3.326 18219
1435 1 3 . 1 1 84 84 LYS CA C 75 56.135 56.135 55.964 0.171 18219
1436 1 3 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.650 0.525 18219
1437 1 3 . 1 1 84 84 LYS H H 75 8.067 8.067 8.332 -0.265 18219
1438 1 3 . 1 1 86 86 ILE N N 77 119.592 119.592 119.247 0.345 18219
1439 1 3 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.126 -0.316 18219
1440 1 3 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.126 3.774 18219
1441 1 3 . 1 1 86 86 ILE CB C 77 39.145 39.145 39.029 0.117 18219
1442 1 3 . 1 1 86 86 ILE H H 77 7.837 7.837 8.052 -0.215 18219
1443 1 3 . 1 1 87 87 MET N N 78 121.645 121.645 119.461 2.184 18219
1444 1 3 . 1 1 87 87 MET CA C 78 52.982 52.982 60.940 -7.958 18219
1445 1 3 . 1 1 87 87 MET CB C 78 32.173 32.173 31.199 0.974 18219
1446 1 3 . 1 1 87 87 MET H H 78 7.950 7.950 7.523 0.427 18219
1447 1 3 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.527 -0.387 18219
1448 1 3 . 1 1 88 88 PRO C C 79 173.921 173.921 175.837 -1.916 18219
1449 1 3 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.589 0.211 18219
1450 1 3 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.417 1.719 18219
1451 1 3 . 1 1 89 89 ALA N N 80 124.431 124.431 123.637 0.794 18219
1452 1 3 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.213 0.187 18219
1453 1 3 . 1 1 89 89 ALA C C 80 176.234 176.234 178.699 -2.465 18219
1454 1 3 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.629 -1.329 18219
1455 1 3 . 1 1 89 89 ALA CB C 80 18.498 18.498 19.386 -0.888 18219
1456 1 3 . 1 1 89 89 ALA H H 80 8.320 8.320 8.390 -0.070 18219
1457 1 3 . 1 1 90 90 GLY N N 81 106.834 106.834 106.980 -0.146 18219
1458 1 3 . 1 1 90 90 GLY C C 81 172.398 172.398 175.456 -3.058 18219
1459 1 3 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.891 -1.290 18219
1460 1 3 . 1 1 90 90 GLY H H 81 8.458 8.458 8.357 0.101 18219
1461 1 3 . 1 1 91 91 LEU N N 82 121.043 121.043 120.941 0.102 18219
1462 1 3 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.084 0.116 18219
1463 1 3 . 1 1 91 91 LEU C C 82 174.783 174.783 178.857 -4.074 18219
1464 1 3 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.551 -1.252 18219
1465 1 3 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.311 0.795 18219
1466 1 3 . 1 1 91 91 LEU H H 82 7.687 7.687 7.546 0.141 18219
1467 1 3 . 1 1 92 92 VAL N N 83 114.737 114.737 118.940 -4.203 18219
1468 1 3 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.597 0.383 18219
1469 1 3 . 1 1 92 92 VAL C C 83 173.634 173.634 177.775 -4.141 18219
1470 1 3 . 1 1 92 92 VAL CA C 83 62.400 62.400 67.226 -4.826 18219
1471 1 3 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.436 0.148 18219
1472 1 3 . 1 1 92 92 VAL H H 83 7.602 7.602 7.759 -0.157 18219
1473 1 3 . 1 1 93 93 ALA N N 84 124.320 124.320 120.994 3.326 18219
1474 1 3 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.989 0.161 18219
1475 1 3 . 1 1 93 93 ALA C C 84 175.746 175.746 179.823 -4.077 18219
1476 1 3 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.384 -2.084 18219
1477 1 3 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.862 0.379 18219
1478 1 3 . 1 1 93 93 ALA H H 84 7.891 7.891 8.270 -0.379 18219
1479 1 3 . 1 1 94 94 GLY N N 85 106.807 106.807 107.298 -0.491 18219
1480 1 3 . 1 1 94 94 GLY C C 85 171.752 171.752 175.838 -4.086 18219
1481 1 3 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.529 -1.280 18219
1482 1 3 . 1 1 94 94 GLY H H 85 8.204 8.204 7.857 0.347 18219
1483 1 3 . 1 1 95 95 LEU N N 86 121.266 121.266 122.624 -1.358 18219
1484 1 3 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.095 0.285 18219
1485 1 3 . 1 1 95 95 LEU C C 86 173.702 173.702 179.209 -5.507 18219
1486 1 3 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.616 -2.616 18219
1487 1 3 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.232 1.066 18219
1488 1 3 . 1 1 95 95 LEU H H 86 7.718 7.718 8.035 -0.317 18219
1489 1 3 . 1 1 96 96 SER N N 87 115.658 115.658 115.708 -0.050 18219
1490 1 3 . 1 1 96 96 SER HA H 87 4.370 4.370 4.197 0.173 18219
1491 1 3 . 1 1 96 96 SER C C 87 172.479 172.479 176.867 -4.388 18219
1492 1 3 . 1 1 96 96 SER CA C 87 57.200 57.200 61.737 -4.537 18219
1493 1 3 . 1 1 96 96 SER CB C 87 64.174 64.174 62.769 1.405 18219
1494 1 3 . 1 1 96 96 SER H H 87 7.659 7.659 8.126 -0.467 18219
1495 1 3 . 1 1 97 97 LEU N N 88 123.720 123.720 122.851 0.869 18219
1496 1 3 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.986 0.614 18219
1497 1 3 . 1 1 97 97 LEU C C 88 175.932 175.932 178.925 -2.993 18219
1498 1 3 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.154 -0.554 18219
1499 1 3 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.024 -0.624 18219
1500 1 3 . 1 1 97 97 LEU H H 88 8.733 8.733 8.080 0.653 18219
1501 1 3 . 1 1 98 98 MET N N 89 116.684 116.684 119.310 -2.626 18219
1502 1 3 . 1 1 98 98 MET HA H 89 4.280 4.280 4.174 0.106 18219
1503 1 3 . 1 1 98 98 MET C C 89 175.789 175.789 177.970 -2.181 18219
1504 1 3 . 1 1 98 98 MET CA C 89 56.915 56.915 58.840 -1.925 18219
1505 1 3 . 1 1 98 98 MET CB C 89 31.007 31.007 32.765 -1.758 18219
1506 1 3 . 1 1 98 98 MET H H 89 8.342 8.342 8.340 0.002 18219
1507 1 3 . 1 1 99 99 MET N N 90 119.182 119.182 118.032 1.150 18219
1508 1 3 . 1 1 99 99 MET HA H 90 4.110 4.110 4.219 -0.109 18219
1509 1 3 . 1 1 99 99 MET C C 90 175.588 175.588 178.621 -3.033 18219
1510 1 3 . 1 1 99 99 MET CA C 90 57.951 57.951 58.613 -0.662 18219
1511 1 3 . 1 1 99 99 MET CB C 90 32.226 32.226 31.997 0.229 18219
1512 1 3 . 1 1 99 99 MET H H 90 7.720 7.720 8.137 -0.417 18219
1513 1 3 . 1 1 100 100 ILE N N 91 119.077 119.077 120.513 -1.436 18219
1514 1 3 . 1 1 100 100 ILE HA H 91 4.110 4.110 4.015 0.095 18219
1515 1 3 . 1 1 100 100 ILE C C 91 174.634 174.634 176.764 -2.130 18219
1516 1 3 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.488 -0.388 18219
1517 1 3 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.960 -1.817 18219
1518 1 3 . 1 1 100 100 ILE H H 91 7.662 7.662 8.103 -0.441 18219
1519 1 3 . 1 1 101 101 LEU N N 92 119.646 119.646 119.354 0.292 18219
1520 1 3 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.149 0.381 18219
1521 1 3 . 1 1 101 101 LEU C C 92 175.430 175.430 177.964 -2.534 18219
1522 1 3 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.523 0.277 18219
1523 1 3 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.375 -0.617 18219
1524 1 3 . 1 1 101 101 LEU H H 92 8.142 8.142 7.718 0.424 18219
1525 1 3 . 1 1 102 102 ARG N N 93 116.394 116.394 118.364 -1.970 18219
1526 1 3 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.409 -0.269 18219
1527 1 3 . 1 1 102 102 ARG C C 93 175.961 175.961 178.000 -2.039 18219
1528 1 3 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.434 0.666 18219
1529 1 3 . 1 1 102 102 ARG CB C 93 29.404 29.404 31.464 -2.060 18219
1530 1 3 . 1 1 102 102 ARG H H 93 7.893 7.893 8.149 -0.256 18219
1531 1 3 . 1 1 103 103 LEU N N 94 119.114 119.114 122.316 -3.202 18219
1532 1 3 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.103 0.007 18219
1533 1 3 . 1 1 103 103 LEU C C 94 175.889 175.889 178.173 -2.284 18219
1534 1 3 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.826 -0.526 18219
1535 1 3 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.869 -0.573 18219
1536 1 3 . 1 1 103 103 LEU H H 94 7.622 7.622 7.757 -0.135 18219
1537 1 3 . 1 1 104 104 VAL N N 95 117.704 117.704 119.728 -2.024 18219
1538 1 3 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.694 -0.164 18219
1539 1 3 . 1 1 104 104 VAL C C 95 175.042 175.042 177.298 -2.256 18219
1540 1 3 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.947 0.472 18219
1541 1 3 . 1 1 104 104 VAL CB C 95 31.357 31.357 32.104 -0.747 18219
1542 1 3 . 1 1 104 104 VAL H H 95 8.026 8.026 8.029 -0.003 18219
1543 1 3 . 1 1 105 105 LEU N N 96 117.185 117.185 114.801 2.384 18219
1544 1 3 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.503 -0.523 18219
1545 1 3 . 1 1 105 105 LEU C C 96 176.579 176.579 177.466 -0.887 18219
1546 1 3 . 1 1 105 105 LEU CA C 96 56.800 56.800 55.510 1.290 18219
1547 1 3 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.857 -1.906 18219
1548 1 3 . 1 1 105 105 LEU H H 96 7.893 7.893 7.509 0.384 18219
1549 1 3 . 1 1 106 106 LEU N N 97 118.471 118.471 118.037 0.434 18219
1550 1 3 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.952 0.228 18219
1551 1 3 . 1 1 106 106 LEU C C 97 175.802 175.802 176.720 -0.918 18219
1552 1 3 . 1 1 106 106 LEU CA C 97 56.300 56.300 56.203 0.097 18219
1553 1 3 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.924 0.668 18219
1554 1 3 . 1 1 106 106 LEU H H 97 7.545 7.545 8.115 -0.570 18219
1555 1 3 . 1 1 107 107 LEU N N 98 118.162 118.162 115.597 2.565 18219
1556 1 3 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.417 -0.187 18219
1557 1 3 . 1 1 107 107 LEU C C 98 174.174 174.174 176.492 -2.318 18219
1558 1 3 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.092 1.191 18219
1559 1 3 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.519 -0.157 18219
1560 1 3 . 1 1 107 107 LEU H H 98 7.688 7.688 7.777 -0.089 18219
1561 1 4 . 1 1 11 11 ASP N N 2 120.536 120.536 121.364 -0.828 18219
1562 1 4 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.505 2.413 18219
1563 1 4 . 1 1 11 11 ASP CB C 2 37.959 37.959 43.156 -5.197 18219
1564 1 4 . 1 1 11 11 ASP H H 2 7.863 7.863 8.090 -0.227 18219
1565 1 4 . 1 1 12 12 LEU N N 3 121.414 121.414 122.237 -0.823 18219
1566 1 4 . 1 1 12 12 LEU C C 3 176.162 176.162 178.989 -2.827 18219
1567 1 4 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.748 0.852 18219
1568 1 4 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.132 -0.475 18219
1569 1 4 . 1 1 12 12 LEU H H 3 8.285 8.285 8.473 -0.188 18219
1570 1 4 . 1 1 13 13 ILE N N 4 118.854 118.854 117.638 1.216 18219
1571 1 4 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.752 -0.012 18219
1572 1 4 . 1 1 13 13 ILE C C 4 175.228 175.228 178.107 -2.879 18219
1573 1 4 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.368 1.132 18219
1574 1 4 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.244 -1.142 18219
1575 1 4 . 1 1 13 13 ILE H H 4 8.031 8.031 7.947 0.084 18219
1576 1 4 . 1 1 14 14 GLY N N 5 107.478 107.478 105.964 1.514 18219
1577 1 4 . 1 1 14 14 GLY C C 5 174.424 174.424 175.715 -1.291 18219
1578 1 4 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.471 0.588 18219
1579 1 4 . 1 1 14 14 GLY H H 5 8.148 8.148 8.360 -0.212 18219
1580 1 4 . 1 1 15 15 PHE N N 6 122.774 122.774 123.961 -1.187 18219
1581 1 4 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.297 0.183 18219
1582 1 4 . 1 1 15 15 PHE C C 6 175.113 175.113 176.952 -1.839 18219
1583 1 4 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.773 -1.756 18219
1584 1 4 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.445 0.329 18219
1585 1 4 . 1 1 15 15 PHE H H 6 8.194 8.194 7.915 0.279 18219
1586 1 4 . 1 1 16 16 GLY N N 7 107.938 107.938 106.347 1.591 18219
1587 1 4 . 1 1 16 16 GLY C C 7 171.838 171.838 175.659 -3.821 18219
1588 1 4 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.449 -0.349 18219
1589 1 4 . 1 1 16 16 GLY H H 7 8.697 8.697 8.634 0.063 18219
1590 1 4 . 1 1 17 17 TYR N N 8 121.785 121.785 123.289 -1.504 18219
1591 1 4 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.145 0.005 18219
1592 1 4 . 1 1 17 17 TYR C C 8 174.180 174.180 177.602 -3.422 18219
1593 1 4 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.049 0.251 18219
1594 1 4 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.405 -0.446 18219
1595 1 4 . 1 1 17 17 TYR H H 8 8.710 8.710 8.186 0.524 18219
1596 1 4 . 1 1 18 18 ALA N N 9 120.233 120.233 120.856 -0.623 18219
1597 1 4 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.964 -0.014 18219
1598 1 4 . 1 1 18 18 ALA C C 9 178.059 178.059 178.835 -0.776 18219
1599 1 4 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.491 0.381 18219
1600 1 4 . 1 1 18 18 ALA CB C 9 17.562 17.562 18.084 -0.522 18219
1601 1 4 . 1 1 18 18 ALA H H 9 7.843 7.843 8.537 -0.694 18219
1602 1 4 . 1 1 19 19 ALA N N 10 121.797 121.797 122.958 -1.161 18219
1603 1 4 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.888 0.062 18219
1604 1 4 . 1 1 19 19 ALA C C 10 176.191 176.191 179.376 -3.185 18219
1605 1 4 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.931 -0.331 18219
1606 1 4 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.166 -0.604 18219
1607 1 4 . 1 1 19 19 ALA H H 10 8.212 8.212 8.129 0.083 18219
1608 1 4 . 1 1 20 20 LEU N N 11 119.442 119.442 117.087 2.355 18219
1609 1 4 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.925 0.012 18219
1610 1 4 . 1 1 20 20 LEU C C 11 176.694 176.694 178.860 -2.166 18219
1611 1 4 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.935 -0.135 18219
1612 1 4 . 1 1 20 20 LEU CB C 11 41.222 41.222 40.919 0.303 18219
1613 1 4 . 1 1 20 20 LEU H H 11 8.065 8.065 7.991 0.074 18219
1614 1 4 . 1 1 21 21 VAL N N 12 118.323 118.323 120.464 -2.141 18219
1615 1 4 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.537 0.103 18219
1616 1 4 . 1 1 21 21 VAL C C 12 176.536 176.536 178.439 -1.903 18219
1617 1 4 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.412 -1.012 18219
1618 1 4 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.659 0.476 18219
1619 1 4 . 1 1 21 21 VAL H H 12 8.051 8.051 8.190 -0.139 18219
1620 1 4 . 1 1 22 22 THR N N 13 118.298 118.298 116.808 1.490 18219
1621 1 4 . 1 1 22 22 THR HA H 13 4.660 4.660 4.005 0.655 18219
1622 1 4 . 1 1 22 22 THR C C 13 173.734 173.734 176.568 -2.834 18219
1623 1 4 . 1 1 22 22 THR CA C 13 66.300 66.300 67.005 -0.705 18219
1624 1 4 . 1 1 22 22 THR CB C 13 67.775 67.775 68.644 -0.869 18219
1625 1 4 . 1 1 22 22 THR H H 13 7.944 7.944 8.107 -0.163 18219
1626 1 4 . 1 1 23 23 PHE N N 14 121.328 121.328 122.357 -1.029 18219
1627 1 4 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.180 0.160 18219
1628 1 4 . 1 1 23 23 PHE C C 14 174.783 174.783 177.323 -2.540 18219
1629 1 4 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.303 -0.803 18219
1630 1 4 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.733 -0.107 18219
1631 1 4 . 1 1 23 23 PHE H H 14 8.567 8.567 8.367 0.200 18219
1632 1 4 . 1 1 24 24 GLY N N 15 106.871 106.871 105.291 1.580 18219
1633 1 4 . 1 1 24 24 GLY C C 15 172.858 172.858 176.006 -3.148 18219
1634 1 4 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.303 -0.404 18219
1635 1 4 . 1 1 24 24 GLY H H 15 8.475 8.475 8.895 -0.420 18219
1636 1 4 . 1 1 25 25 SER N N 16 116.214 116.214 116.668 -0.454 18219
1637 1 4 . 1 1 25 25 SER HA H 16 4.280 4.280 4.303 -0.023 18219
1638 1 4 . 1 1 25 25 SER CA C 16 60.300 60.300 61.606 -1.306 18219
1639 1 4 . 1 1 25 25 SER CB C 16 62.879 62.879 63.189 -0.310 18219
1640 1 4 . 1 1 25 25 SER H H 16 7.963 7.963 7.860 0.103 18219
1641 1 4 . 1 1 26 26 ILE N N 17 121.024 121.024 122.191 -1.167 18219
1642 1 4 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.812 0.134 18219
1643 1 4 . 1 1 26 26 ILE C C 17 173.935 173.935 178.310 -4.375 18219
1644 1 4 . 1 1 26 26 ILE CA C 17 63.100 63.100 63.403 -0.303 18219
1645 1 4 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.428 0.679 18219
1646 1 4 . 1 1 26 26 ILE H H 17 7.676 7.676 8.091 -0.415 18219
1647 1 4 . 1 1 27 27 PHE N N 18 117.142 117.142 118.255 -1.113 18219
1648 1 4 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.069 0.361 18219
1649 1 4 . 1 1 27 27 PHE C C 18 173.504 173.504 176.380 -2.876 18219
1650 1 4 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.169 -1.669 18219
1651 1 4 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.916 -0.142 18219
1652 1 4 . 1 1 27 27 PHE H H 18 7.703 7.703 8.232 -0.529 18219
1653 1 4 . 1 1 28 28 GLY N N 19 107.303 107.303 106.960 0.343 18219
1654 1 4 . 1 1 28 28 GLY C C 19 171.593 171.593 174.023 -2.430 18219
1655 1 4 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.624 -0.024 18219
1656 1 4 . 1 1 28 28 GLY H H 19 7.722 7.722 7.662 0.060 18219
1657 1 4 . 1 1 29 29 TYR N N 20 119.862 119.862 115.947 3.915 18219
1658 1 4 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.191 0.201 18219
1659 1 4 . 1 1 29 29 TYR C C 20 173.174 173.174 174.918 -1.744 18219
1660 1 4 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.124 0.376 18219
1661 1 4 . 1 1 29 29 TYR CB C 20 38.404 38.404 38.313 0.091 18219
1662 1 4 . 1 1 29 29 TYR H H 20 7.880 7.880 7.966 -0.086 18219
1663 1 4 . 1 1 30 30 LYS N N 21 122.335 122.335 122.981 -0.646 18219
1664 1 4 . 1 1 30 30 LYS HA H 21 4.390 4.390 3.968 0.422 18219
1665 1 4 . 1 1 30 30 LYS C C 21 173.547 173.547 177.168 -3.621 18219
1666 1 4 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.757 -1.956 18219
1667 1 4 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.530 -0.134 18219
1668 1 4 . 1 1 30 30 LYS H H 21 7.934 7.934 8.358 -0.424 18219
1669 1 4 . 1 1 31 31 ARG N N 22 120.612 120.612 124.511 -3.899 18219
1670 1 4 . 1 1 31 31 ARG C C 22 173.547 173.547 175.636 -2.089 18219
1671 1 4 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.114 -0.280 18219
1672 1 4 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.334 -0.233 18219
1673 1 4 . 1 1 31 31 ARG H H 22 7.905 7.905 8.725 -0.820 18219
1674 1 4 . 1 1 32 32 ARG N N 23 121.748 121.748 120.832 0.916 18219
1675 1 4 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.170 0.140 18219
1676 1 4 . 1 1 32 32 ARG C C 23 173.863 173.863 176.421 -2.558 18219
1677 1 4 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.914 -1.114 18219
1678 1 4 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.619 -0.374 18219
1679 1 4 . 1 1 32 32 ARG H H 23 8.175 8.175 8.131 0.044 18219
1680 1 4 . 1 1 33 33 GLY N N 24 109.528 109.528 106.804 2.724 18219
1681 1 4 . 1 1 33 33 GLY C C 24 171.752 171.752 173.094 -1.342 18219
1682 1 4 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.363 0.537 18219
1683 1 4 . 1 1 33 33 GLY H H 24 8.264 8.264 8.159 0.105 18219
1684 1 4 . 1 1 34 34 GLY N N 25 108.563 108.563 112.059 -3.496 18219
1685 1 4 . 1 1 34 34 GLY C C 25 171.701 171.701 173.933 -2.232 18219
1686 1 4 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.875 -1.275 18219
1687 1 4 . 1 1 34 34 GLY H H 25 8.208 8.208 7.837 0.371 18219
1688 1 4 . 1 1 35 35 VAL N N 26 121.164 121.164 121.948 -0.784 18219
1689 1 4 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.082 -0.072 18219
1690 1 4 . 1 1 35 35 VAL C C 26 175.888 175.888 174.898 0.990 18219
1691 1 4 . 1 1 35 35 VAL CA C 26 63.900 63.900 64.719 -0.819 18219
1692 1 4 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.195 -0.505 18219
1693 1 4 . 1 1 35 35 VAL H H 26 8.485 8.485 7.974 0.511 18219
1694 1 4 . 1 1 36 36 PRO C C 27 177.660 177.660 176.489 1.171 18219
1695 1 4 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.327 -1.480 18219
1696 1 4 . 1 1 37 37 SER N N 28 116.023 116.023 119.264 -3.241 18219
1697 1 4 . 1 1 37 37 SER HA H 28 4.280 4.280 4.326 -0.046 18219
1698 1 4 . 1 1 37 37 SER CA C 28 61.100 61.100 59.679 1.421 18219
1699 1 4 . 1 1 37 37 SER H H 28 7.948 7.948 8.732 -0.784 18219
1700 1 4 . 1 1 38 38 LEU N N 29 124.029 124.029 119.948 4.081 18219
1701 1 4 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.067 0.103 18219
1702 1 4 . 1 1 38 38 LEU C C 29 176.132 176.132 178.605 -2.473 18219
1703 1 4 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.148 -0.648 18219
1704 1 4 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.723 1.315 18219
1705 1 4 . 1 1 38 38 LEU H H 29 8.201 8.201 7.959 0.242 18219
1706 1 4 . 1 1 39 39 ILE N N 30 117.098 117.098 118.821 -1.723 18219
1707 1 4 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.856 0.514 18219
1708 1 4 . 1 1 39 39 ILE C C 30 176.478 176.478 177.154 -0.676 18219
1709 1 4 . 1 1 39 39 ILE CA C 30 63.079 63.079 62.069 1.010 18219
1710 1 4 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.231 -0.258 18219
1711 1 4 . 1 1 39 39 ILE H H 30 7.662 7.662 7.895 -0.233 18219
1712 1 4 . 1 1 40 40 ALA N N 31 122.447 122.447 122.353 0.094 18219
1713 1 4 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.030 0.004 18219
1714 1 4 . 1 1 40 40 ALA C C 31 177.067 177.067 179.793 -2.726 18219
1715 1 4 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.580 0.382 18219
1716 1 4 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.821 0.035 18219
1717 1 4 . 1 1 40 40 ALA H H 31 8.096 8.096 8.101 -0.005 18219
1718 1 4 . 1 1 41 41 GLY N N 32 104.056 104.056 107.619 -3.563 18219
1719 1 4 . 1 1 41 41 GLY C C 32 174.251 174.251 175.889 -1.638 18219
1720 1 4 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.866 -0.366 18219
1721 1 4 . 1 1 41 41 GLY H H 32 8.123 8.123 8.188 -0.065 18219
1722 1 4 . 1 1 42 42 LEU N N 33 123.250 123.250 122.774 0.476 18219
1723 1 4 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.956 -0.099 18219
1724 1 4 . 1 1 42 42 LEU C C 33 176.033 176.033 178.427 -2.394 18219
1725 1 4 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.048 -1.380 18219
1726 1 4 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.068 -0.347 18219
1727 1 4 . 1 1 42 42 LEU H H 33 7.914 7.914 8.141 -0.227 18219
1728 1 4 . 1 1 43 43 PHE N N 34 119.757 119.757 119.231 0.526 18219
1729 1 4 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.095 0.105 18219
1730 1 4 . 1 1 43 43 PHE C C 34 174.374 174.374 177.464 -3.090 18219
1731 1 4 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.172 -2.296 18219
1732 1 4 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.867 -0.033 18219
1733 1 4 . 1 1 43 43 PHE H H 34 8.287 8.287 8.367 -0.080 18219
1734 1 4 . 1 1 44 44 VAL N N 35 117.791 117.791 118.582 -0.791 18219
1735 1 4 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.601 0.009 18219
1736 1 4 . 1 1 44 44 VAL C C 35 176.205 176.205 178.725 -2.520 18219
1737 1 4 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.824 -2.265 18219
1738 1 4 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.969 0.463 18219
1739 1 4 . 1 1 44 44 VAL H H 35 8.235 8.235 8.356 -0.121 18219
1740 1 4 . 1 1 45 45 GLY N N 36 108.551 108.551 106.896 1.655 18219
1741 1 4 . 1 1 45 45 GLY C C 36 173.749 173.749 175.807 -2.058 18219
1742 1 4 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.077 -0.994 18219
1743 1 4 . 1 1 45 45 GLY H H 36 8.178 8.178 8.330 -0.152 18219
1744 1 4 . 1 1 46 46 CYS N N 37 121.173 121.173 122.542 -1.369 18219
1745 1 4 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.046 0.134 18219
1746 1 4 . 1 1 46 46 CYS C C 37 173.710 173.710 176.587 -2.877 18219
1747 1 4 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.157 -1.157 18219
1748 1 4 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.811 32.472 18219
1749 1 4 . 1 1 46 46 CYS H H 37 8.253 8.253 8.088 0.165 18219
1750 1 4 . 1 1 47 47 LEU N N 38 120.283 120.283 119.189 1.094 18219
1751 1 4 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.036 0.024 18219
1752 1 4 . 1 1 47 47 LEU C C 38 176.679 176.679 178.370 -1.691 18219
1753 1 4 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.950 -1.923 18219
1754 1 4 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.461 1.004 18219
1755 1 4 . 1 1 47 47 LEU H H 38 7.965 7.965 8.520 -0.555 18219
1756 1 4 . 1 1 48 48 ALA N N 39 122.249 122.249 122.555 -0.306 18219
1757 1 4 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.020 0.122 18219
1758 1 4 . 1 1 48 48 ALA C C 39 177.915 177.915 179.594 -1.679 18219
1759 1 4 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.053 -1.336 18219
1760 1 4 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.047 -0.062 18219
1761 1 4 . 1 1 48 48 ALA H H 39 8.066 8.066 8.030 0.036 18219
1762 1 4 . 1 1 49 49 GLY N N 40 107.377 107.377 107.418 -0.041 18219
1763 1 4 . 1 1 49 49 GLY C C 40 172.527 172.527 175.550 -3.023 18219
1764 1 4 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.490 -1.040 18219
1765 1 4 . 1 1 49 49 GLY H H 40 8.172 8.172 8.058 0.114 18219
1766 1 4 . 1 1 50 50 TYR N N 41 122.409 122.409 123.664 -1.255 18219
1767 1 4 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.095 -0.296 18219
1768 1 4 . 1 1 50 50 TYR C C 41 174.208 174.208 177.458 -3.250 18219
1769 1 4 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.113 -1.868 18219
1770 1 4 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.500 -0.564 18219
1771 1 4 . 1 1 50 50 TYR H H 41 7.800 7.800 8.366 -0.566 18219
1772 1 4 . 1 1 51 51 GLY N N 42 106.935 106.935 104.138 2.797 18219
1773 1 4 . 1 1 51 51 GLY C C 42 172.642 172.642 175.605 -2.963 18219
1774 1 4 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.466 0.799 18219
1775 1 4 . 1 1 51 51 GLY H H 42 8.199 8.199 8.232 -0.033 18219
1776 1 4 . 1 1 52 52 ALA N N 43 123.018 123.018 125.375 -2.357 18219
1777 1 4 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.078 0.072 18219
1778 1 4 . 1 1 52 52 ALA C C 43 176.398 176.398 179.493 -3.095 18219
1779 1 4 . 1 1 52 52 ALA CA C 43 52.883 52.883 53.910 -1.026 18219
1780 1 4 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.115 0.126 18219
1781 1 4 . 1 1 52 52 ALA H H 43 7.758 7.758 7.976 -0.218 18219
1782 1 4 . 1 1 53 53 TYR N N 44 119.664 119.664 119.476 0.188 18219
1783 1 4 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.222 0.096 18219
1784 1 4 . 1 1 53 53 TYR C C 44 174.180 174.180 177.110 -2.930 18219
1785 1 4 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.289 -2.696 18219
1786 1 4 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.584 -0.392 18219
1787 1 4 . 1 1 53 53 TYR H H 44 7.920 7.920 8.088 -0.168 18219
1788 1 4 . 1 1 54 54 ARG N N 45 119.516 119.516 118.004 1.512 18219
1789 1 4 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.492 -0.562 18219
1790 1 4 . 1 1 54 54 ARG C C 45 174.423 174.423 176.328 -1.905 18219
1791 1 4 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.058 -0.031 18219
1792 1 4 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.794 -0.621 18219
1793 1 4 . 1 1 54 54 ARG H H 45 7.956 7.956 7.586 0.370 18219
1794 1 4 . 1 1 55 55 VAL N N 46 116.437 116.437 119.644 -3.207 18219
1795 1 4 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.811 0.249 18219
1796 1 4 . 1 1 55 55 VAL C C 46 173.806 173.806 175.489 -1.683 18219
1797 1 4 . 1 1 55 55 VAL CA C 46 62.300 62.300 62.675 -0.375 18219
1798 1 4 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.809 -0.288 18219
1799 1 4 . 1 1 55 55 VAL H H 46 7.489 7.489 7.137 0.352 18219
1800 1 4 . 1 1 56 56 SER N N 47 117.185 117.185 115.541 1.644 18219
1801 1 4 . 1 1 56 56 SER HA H 47 4.401 4.401 4.086 0.315 18219
1802 1 4 . 1 1 56 56 SER C C 47 172.074 172.074 175.291 -3.217 18219
1803 1 4 . 1 1 56 56 SER CA C 47 58.133 58.133 60.752 -2.619 18219
1804 1 4 . 1 1 56 56 SER CB C 47 63.468 63.468 63.810 -0.342 18219
1805 1 4 . 1 1 56 56 SER H H 47 7.728 7.728 7.675 0.053 18219
1806 1 4 . 1 1 57 57 ASN N N 48 121.049 121.049 120.064 0.985 18219
1807 1 4 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.439 0.151 18219
1808 1 4 . 1 1 57 57 ASN CA C 48 53.600 53.600 55.542 -1.942 18219
1809 1 4 . 1 1 57 57 ASN CB C 48 38.641 38.641 37.710 0.931 18219
1810 1 4 . 1 1 57 57 ASN H H 48 8.228 8.228 8.724 -0.496 18219
1811 1 4 . 1 1 58 58 ASP N N 49 120.276 120.276 118.509 1.767 18219
1812 1 4 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.566 -0.036 18219
1813 1 4 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.464 -0.262 18219
1814 1 4 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.793 -1.419 18219
1815 1 4 . 1 1 58 58 ASP H H 49 8.192 8.192 8.509 -0.317 18219
1816 1 4 . 1 1 59 59 LYS N N 50 120.660 120.660 118.349 2.311 18219
1817 1 4 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.020 0.180 18219
1818 1 4 . 1 1 59 59 LYS C C 50 173.474 173.474 175.743 -2.269 18219
1819 1 4 . 1 1 59 59 LYS CA C 50 56.300 56.300 57.608 -1.308 18219
1820 1 4 . 1 1 59 59 LYS CB C 50 32.034 32.034 32.870 -0.836 18219
1821 1 4 . 1 1 59 59 LYS H H 50 8.003 8.003 7.963 0.040 18219
1822 1 4 . 1 1 60 60 ARG N N 51 121.278 121.278 119.476 1.802 18219
1823 1 4 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.168 0.032 18219
1824 1 4 . 1 1 60 60 ARG C C 51 173.303 173.303 175.001 -1.698 18219
1825 1 4 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.784 -0.501 18219
1826 1 4 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.904 -0.666 18219
1827 1 4 . 1 1 60 60 ARG H H 51 8.091 8.091 8.348 -0.257 18219
1828 1 4 . 1 1 61 61 ASP N N 52 121.185 121.185 118.133 3.052 18219
1829 1 4 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.744 -0.129 18219
1830 1 4 . 1 1 61 61 ASP C C 52 173.777 173.777 177.022 -3.245 18219
1831 1 4 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.373 -1.394 18219
1832 1 4 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.874 -1.629 18219
1833 1 4 . 1 1 61 61 ASP H H 52 8.261 8.261 8.427 -0.166 18219
1834 1 4 . 1 1 62 62 VAL N N 53 121.902 121.902 119.875 2.027 18219
1835 1 4 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.276 -0.326 18219
1836 1 4 . 1 1 62 62 VAL C C 53 173.279 173.279 176.501 -3.222 18219
1837 1 4 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.607 -0.431 18219
1838 1 4 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.568 -0.469 18219
1839 1 4 . 1 1 62 62 VAL H H 53 7.997 7.997 8.037 -0.040 18219
1840 1 4 . 1 1 63 63 LYS N N 54 123.522 123.522 121.660 1.862 18219
1841 1 4 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.131 0.129 18219
1842 1 4 . 1 1 63 63 LYS C C 54 174.481 174.481 178.623 -4.142 18219
1843 1 4 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.845 -3.498 18219
1844 1 4 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.937 0.162 18219
1845 1 4 . 1 1 63 63 LYS H H 54 8.054 8.054 8.265 -0.211 18219
1846 1 4 . 1 1 64 64 VAL N N 55 120.647 120.647 117.982 2.665 18219
1847 1 4 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.767 0.180 18219
1848 1 4 . 1 1 64 64 VAL C C 55 174.955 174.955 177.540 -2.585 18219
1849 1 4 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.607 -1.007 18219
1850 1 4 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.998 0.879 18219
1851 1 4 . 1 1 64 64 VAL H H 55 8.225 8.225 8.005 0.220 18219
1852 1 4 . 1 1 65 65 SER N N 56 117.785 117.785 116.015 1.770 18219
1853 1 4 . 1 1 65 65 SER HA H 56 4.390 4.390 4.160 0.230 18219
1854 1 4 . 1 1 65 65 SER C C 56 172.300 172.300 176.712 -4.412 18219
1855 1 4 . 1 1 65 65 SER CA C 56 60.000 60.000 62.364 -2.364 18219
1856 1 4 . 1 1 65 65 SER CB C 56 62.879 62.879 63.041 -0.162 18219
1857 1 4 . 1 1 65 65 SER H H 56 8.260 8.260 7.880 0.380 18219
1858 1 4 . 1 1 66 66 LEU N N 57 123.318 123.318 122.293 1.025 18219
1859 1 4 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.149 -0.059 18219
1860 1 4 . 1 1 66 66 LEU C C 57 175.932 175.932 178.552 -2.620 18219
1861 1 4 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.546 -1.044 18219
1862 1 4 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.201 -0.480 18219
1863 1 4 . 1 1 66 66 LEU H H 57 8.091 8.091 8.137 -0.046 18219
1864 1 4 . 1 1 67 67 PHE N N 58 118.020 118.020 118.446 -0.426 18219
1865 1 4 . 1 1 67 67 PHE HA H 58 4.330 4.330 3.978 0.352 18219
1866 1 4 . 1 1 67 67 PHE C C 58 174.912 174.912 177.650 -2.738 18219
1867 1 4 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.586 -0.986 18219
1868 1 4 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.701 -0.149 18219
1869 1 4 . 1 1 67 67 PHE H H 58 8.066 8.066 8.546 -0.480 18219
1870 1 4 . 1 1 68 68 THR N N 59 115.324 115.324 116.132 -0.808 18219
1871 1 4 . 1 1 68 68 THR HA H 59 4.310 4.310 4.075 0.235 18219
1872 1 4 . 1 1 68 68 THR C C 59 173.380 173.380 176.305 -2.925 18219
1873 1 4 . 1 1 68 68 THR CA C 59 66.313 66.313 67.621 -1.308 18219
1874 1 4 . 1 1 68 68 THR CB C 59 67.700 67.700 68.942 -1.242 18219
1875 1 4 . 1 1 68 68 THR H H 59 8.287 8.287 8.292 -0.005 18219
1876 1 4 . 1 1 69 69 ALA N N 60 123.621 123.621 124.821 -1.200 18219
1877 1 4 . 1 1 69 69 ALA HA H 60 4.280 4.280 3.999 0.281 18219
1878 1 4 . 1 1 69 69 ALA C C 60 176.978 176.978 179.535 -2.557 18219
1879 1 4 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.333 -0.233 18219
1880 1 4 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.358 -0.630 18219
1881 1 4 . 1 1 69 69 ALA H H 60 7.983 7.983 8.241 -0.258 18219
1882 1 4 . 1 1 70 70 PHE N N 61 118.520 118.520 118.195 0.325 18219
1883 1 4 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.095 0.165 18219
1884 1 4 . 1 1 70 70 PHE C C 61 175.369 175.369 177.674 -2.305 18219
1885 1 4 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.651 -2.472 18219
1886 1 4 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.952 -0.246 18219
1887 1 4 . 1 1 70 70 PHE H H 61 8.007 8.007 8.733 -0.726 18219
1888 1 4 . 1 1 71 71 PHE N N 62 122.314 122.314 119.688 2.626 18219
1889 1 4 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.105 -0.105 18219
1890 1 4 . 1 1 71 71 PHE C C 62 174.697 174.697 177.537 -2.840 18219
1891 1 4 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.872 -2.355 18219
1892 1 4 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.241 -0.471 18219
1893 1 4 . 1 1 71 71 PHE H H 62 8.546 8.546 8.291 0.255 18219
1894 1 4 . 1 1 72 72 LEU N N 63 119.399 119.399 119.514 -0.115 18219
1895 1 4 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.884 -0.014 18219
1896 1 4 . 1 1 72 72 LEU C C 63 175.774 175.774 178.935 -3.161 18219
1897 1 4 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.270 -1.345 18219
1898 1 4 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.731 -0.524 18219
1899 1 4 . 1 1 72 72 LEU H H 63 8.396 8.396 8.732 -0.336 18219
1900 1 4 . 1 1 73 73 ALA N N 64 120.221 120.221 121.147 -0.926 18219
1901 1 4 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.958 0.002 18219
1902 1 4 . 1 1 73 73 ALA C C 64 177.267 177.267 179.426 -2.159 18219
1903 1 4 . 1 1 73 73 ALA CA C 64 54.600 54.600 54.980 -0.380 18219
1904 1 4 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.023 -0.239 18219
1905 1 4 . 1 1 73 73 ALA H H 64 8.025 8.025 8.014 0.011 18219
1906 1 4 . 1 1 74 74 THR N N 65 113.648 113.648 115.920 -2.272 18219
1907 1 4 . 1 1 74 74 THR HA H 65 3.980 3.980 3.782 0.198 18219
1908 1 4 . 1 1 74 74 THR CA C 65 66.291 66.291 66.688 -0.397 18219
1909 1 4 . 1 1 74 74 THR CB C 65 67.914 67.914 68.757 -0.843 18219
1910 1 4 . 1 1 74 74 THR H H 65 7.717 7.717 7.749 -0.032 18219
1911 1 4 . 1 1 75 75 ILE N N 66 120.291 120.291 120.001 0.290 18219
1912 1 4 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.587 0.153 18219
1913 1 4 . 1 1 75 75 ILE C C 66 174.951 174.951 178.058 -3.107 18219
1914 1 4 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.118 0.761 18219
1915 1 4 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.407 -0.241 18219
1916 1 4 . 1 1 75 75 ILE H H 66 7.738 7.738 8.150 -0.412 18219
1917 1 4 . 1 1 76 76 MET N N 67 117.618 117.618 117.549 0.069 18219
1918 1 4 . 1 1 76 76 MET HA H 67 4.220 4.220 4.102 0.118 18219
1919 1 4 . 1 1 76 76 MET C C 67 175.142 175.142 177.837 -2.695 18219
1920 1 4 . 1 1 76 76 MET CA C 67 56.723 56.723 58.146 -1.423 18219
1921 1 4 . 1 1 76 76 MET CB C 67 31.951 31.951 33.289 -1.338 18219
1922 1 4 . 1 1 76 76 MET H H 67 7.823 7.823 8.256 -0.433 18219
1923 1 4 . 1 1 77 77 GLY N N 68 107.110 107.110 105.549 1.561 18219
1924 1 4 . 1 1 77 77 GLY C C 68 172.260 172.260 175.475 -3.215 18219
1925 1 4 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.687 0.113 18219
1926 1 4 . 1 1 77 77 GLY H H 68 7.937 7.937 8.117 -0.180 18219
1927 1 4 . 1 1 78 78 VAL N N 69 120.431 120.431 119.385 1.046 18219
1928 1 4 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.668 0.552 18219
1929 1 4 . 1 1 78 78 VAL CA C 69 63.900 63.900 65.234 -1.334 18219
1930 1 4 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.813 -0.307 18219
1931 1 4 . 1 1 78 78 VAL H H 69 7.697 7.697 8.441 -0.744 18219
1932 1 4 . 1 1 79 79 ARG N N 70 121.420 121.420 115.476 5.944 18219
1933 1 4 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.383 -0.573 18219
1934 1 4 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.453 -0.053 18219
1935 1 4 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.207 -0.110 18219
1936 1 4 . 1 1 79 79 ARG H H 70 7.889 7.889 7.801 0.088 18219
1937 1 4 . 1 1 80 80 PHE N N 71 119.949 119.949 120.269 -0.320 18219
1938 1 4 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.274 0.236 18219
1939 1 4 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.706 -1.106 18219
1940 1 4 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.550 -0.405 18219
1941 1 4 . 1 1 80 80 PHE H H 71 8.101 8.101 8.581 -0.480 18219
1942 1 4 . 1 1 81 81 LYS N N 72 122.193 122.193 115.776 6.417 18219
1943 1 4 . 1 1 81 81 LYS CA C 72 56.800 56.800 58.478 -1.678 18219
1944 1 4 . 1 1 81 81 LYS CB C 72 32.322 32.322 31.032 1.290 18219
1945 1 4 . 1 1 81 81 LYS H H 72 8.090 8.090 8.642 -0.552 18219
1946 1 4 . 1 1 82 82 ARG N N 73 119.650 119.650 121.001 -1.351 18219
1947 1 4 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.607 -0.518 18219
1948 1 4 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.273 -0.103 18219
1949 1 4 . 1 1 82 82 ARG H H 73 8.052 8.052 8.159 -0.107 18219
1950 1 4 . 1 1 83 83 SER N N 74 115.734 115.734 114.661 1.073 18219
1951 1 4 . 1 1 83 83 SER CA C 74 58.355 58.355 58.023 0.332 18219
1952 1 4 . 1 1 83 83 SER CB C 74 63.404 63.404 62.766 0.638 18219
1953 1 4 . 1 1 83 83 SER H H 74 7.912 7.912 7.679 0.233 18219
1954 1 4 . 1 1 84 84 LYS N N 75 122.370 122.370 124.050 -1.680 18219
1955 1 4 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.308 -0.173 18219
1956 1 4 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.084 1.091 18219
1957 1 4 . 1 1 84 84 LYS H H 75 8.067 8.067 8.372 -0.305 18219
1958 1 4 . 1 1 86 86 ILE N N 77 119.592 119.592 118.449 1.143 18219
1959 1 4 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.897 -0.087 18219
1960 1 4 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.976 1.924 18219
1961 1 4 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.566 0.579 18219
1962 1 4 . 1 1 86 86 ILE H H 77 7.837 7.837 7.989 -0.152 18219
1963 1 4 . 1 1 87 87 MET N N 78 121.645 121.645 118.634 3.011 18219
1964 1 4 . 1 1 87 87 MET CA C 78 52.982 52.982 58.765 -5.783 18219
1965 1 4 . 1 1 87 87 MET CB C 78 32.173 32.173 30.555 1.618 18219
1966 1 4 . 1 1 87 87 MET H H 78 7.950 7.950 8.010 -0.060 18219
1967 1 4 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.371 -0.231 18219
1968 1 4 . 1 1 88 88 PRO C C 79 173.921 173.921 177.809 -3.888 18219
1969 1 4 . 1 1 88 88 PRO CA C 79 62.800 62.800 64.479 -1.679 18219
1970 1 4 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.930 -0.794 18219
1971 1 4 . 1 1 89 89 ALA N N 80 124.431 124.431 119.122 5.309 18219
1972 1 4 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.880 0.520 18219
1973 1 4 . 1 1 89 89 ALA C C 80 176.234 176.234 179.635 -3.401 18219
1974 1 4 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.406 -1.106 18219
1975 1 4 . 1 1 89 89 ALA CB C 80 18.498 18.498 16.902 1.596 18219
1976 1 4 . 1 1 89 89 ALA H H 80 8.320 8.320 8.417 -0.097 18219
1977 1 4 . 1 1 90 90 GLY N N 81 106.834 106.834 107.180 -0.346 18219
1978 1 4 . 1 1 90 90 GLY C C 81 172.398 172.398 175.731 -3.333 18219
1979 1 4 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.060 -1.460 18219
1980 1 4 . 1 1 90 90 GLY H H 81 8.458 8.458 8.626 -0.168 18219
1981 1 4 . 1 1 91 91 LEU N N 82 121.043 121.043 120.465 0.578 18219
1982 1 4 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.017 0.183 18219
1983 1 4 . 1 1 91 91 LEU C C 82 174.783 174.783 178.551 -3.768 18219
1984 1 4 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.232 -1.932 18219
1985 1 4 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.008 0.097 18219
1986 1 4 . 1 1 91 91 LEU H H 82 7.687 7.687 8.115 -0.428 18219
1987 1 4 . 1 1 92 92 VAL N N 83 114.737 114.737 118.564 -3.827 18219
1988 1 4 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.613 0.367 18219
1989 1 4 . 1 1 92 92 VAL C C 83 173.634 173.634 177.846 -4.212 18219
1990 1 4 . 1 1 92 92 VAL CA C 83 62.400 62.400 65.785 -3.385 18219
1991 1 4 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.704 0.881 18219
1992 1 4 . 1 1 92 92 VAL H H 83 7.602 7.602 7.789 -0.187 18219
1993 1 4 . 1 1 93 93 ALA N N 84 124.320 124.320 121.181 3.139 18219
1994 1 4 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.993 0.157 18219
1995 1 4 . 1 1 93 93 ALA C C 84 175.746 175.746 179.922 -4.176 18219
1996 1 4 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.269 -1.969 18219
1997 1 4 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.099 0.142 18219
1998 1 4 . 1 1 93 93 ALA H H 84 7.891 7.891 8.119 -0.228 18219
1999 1 4 . 1 1 94 94 GLY N N 85 106.807 106.807 107.211 -0.404 18219
2000 1 4 . 1 1 94 94 GLY C C 85 171.752 171.752 175.946 -4.194 18219
2001 1 4 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.646 -1.397 18219
2002 1 4 . 1 1 94 94 GLY H H 85 8.204 8.204 8.028 0.176 18219
2003 1 4 . 1 1 95 95 LEU N N 86 121.266 121.266 122.222 -0.956 18219
2004 1 4 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.160 0.220 18219
2005 1 4 . 1 1 95 95 LEU C C 86 173.702 173.702 178.676 -4.974 18219
2006 1 4 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.537 -2.537 18219
2007 1 4 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.295 1.003 18219
2008 1 4 . 1 1 95 95 LEU H H 86 7.718 7.718 8.072 -0.354 18219
2009 1 4 . 1 1 96 96 SER N N 87 115.658 115.658 115.063 0.595 18219
2010 1 4 . 1 1 96 96 SER HA H 87 4.370 4.370 4.134 0.236 18219
2011 1 4 . 1 1 96 96 SER C C 87 172.479 172.479 176.738 -4.259 18219
2012 1 4 . 1 1 96 96 SER CA C 87 57.200 57.200 62.164 -4.964 18219
2013 1 4 . 1 1 96 96 SER CB C 87 64.174 64.174 63.177 0.997 18219
2014 1 4 . 1 1 96 96 SER H H 87 7.659 7.659 8.105 -0.446 18219
2015 1 4 . 1 1 97 97 LEU N N 88 123.720 123.720 122.094 1.626 18219
2016 1 4 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.922 0.678 18219
2017 1 4 . 1 1 97 97 LEU C C 88 175.932 175.932 179.014 -3.082 18219
2018 1 4 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.993 -0.393 18219
2019 1 4 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.934 -0.534 18219
2020 1 4 . 1 1 97 97 LEU H H 88 8.733 8.733 8.149 0.584 18219
2021 1 4 . 1 1 98 98 MET N N 89 116.684 116.684 119.645 -2.961 18219
2022 1 4 . 1 1 98 98 MET HA H 89 4.280 4.280 4.064 0.216 18219
2023 1 4 . 1 1 98 98 MET C C 89 175.789 175.789 178.166 -2.377 18219
2024 1 4 . 1 1 98 98 MET CA C 89 56.915 56.915 59.041 -2.126 18219
2025 1 4 . 1 1 98 98 MET CB C 89 31.007 31.007 32.725 -1.718 18219
2026 1 4 . 1 1 98 98 MET H H 89 8.342 8.342 8.152 0.190 18219
2027 1 4 . 1 1 99 99 MET N N 90 119.182 119.182 117.633 1.549 18219
2028 1 4 . 1 1 99 99 MET HA H 90 4.110 4.110 4.225 -0.115 18219
2029 1 4 . 1 1 99 99 MET C C 90 175.588 175.588 178.730 -3.142 18219
2030 1 4 . 1 1 99 99 MET CA C 90 57.951 57.951 58.671 -0.720 18219
2031 1 4 . 1 1 99 99 MET CB C 90 32.226 32.226 31.960 0.266 18219
2032 1 4 . 1 1 99 99 MET H H 90 7.720 7.720 8.162 -0.442 18219
2033 1 4 . 1 1 100 100 ILE N N 91 119.077 119.077 119.570 -0.493 18219
2034 1 4 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.899 0.211 18219
2035 1 4 . 1 1 100 100 ILE C C 91 174.634 174.634 177.570 -2.936 18219
2036 1 4 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.253 -0.153 18219
2037 1 4 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.024 -0.881 18219
2038 1 4 . 1 1 100 100 ILE H H 91 7.662 7.662 8.234 -0.572 18219
2039 1 4 . 1 1 101 101 LEU N N 92 119.646 119.646 120.586 -0.940 18219
2040 1 4 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.159 0.371 18219
2041 1 4 . 1 1 101 101 LEU C C 92 175.430 175.430 177.891 -2.461 18219
2042 1 4 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.323 0.477 18219
2043 1 4 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.876 -1.118 18219
2044 1 4 . 1 1 101 101 LEU H H 92 8.142 8.142 7.788 0.354 18219
2045 1 4 . 1 1 102 102 ARG N N 93 116.394 116.394 118.468 -2.074 18219
2046 1 4 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.315 -0.175 18219
2047 1 4 . 1 1 102 102 ARG C C 93 175.961 175.961 178.201 -2.240 18219
2048 1 4 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.282 0.818 18219
2049 1 4 . 1 1 102 102 ARG CB C 93 29.404 29.404 31.144 -1.740 18219
2050 1 4 . 1 1 102 102 ARG H H 93 7.893 7.893 8.043 -0.150 18219
2051 1 4 . 1 1 103 103 LEU N N 94 119.114 119.114 120.953 -1.839 18219
2052 1 4 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.093 0.017 18219
2053 1 4 . 1 1 103 103 LEU C C 94 175.889 175.889 178.068 -2.179 18219
2054 1 4 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.356 -0.056 18219
2055 1 4 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.740 -0.444 18219
2056 1 4 . 1 1 103 103 LEU H H 94 7.622 7.622 7.894 -0.272 18219
2057 1 4 . 1 1 104 104 VAL N N 95 117.704 117.704 118.297 -0.593 18219
2058 1 4 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.694 -0.164 18219
2059 1 4 . 1 1 104 104 VAL C C 95 175.042 175.042 177.379 -2.337 18219
2060 1 4 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.890 0.529 18219
2061 1 4 . 1 1 104 104 VAL CB C 95 31.357 31.357 32.053 -0.697 18219
2062 1 4 . 1 1 104 104 VAL H H 95 8.026 8.026 7.612 0.414 18219
2063 1 4 . 1 1 105 105 LEU N N 96 117.185 117.185 113.305 3.880 18219
2064 1 4 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.517 -0.537 18219
2065 1 4 . 1 1 105 105 LEU C C 96 176.579 176.579 177.042 -0.463 18219
2066 1 4 . 1 1 105 105 LEU CA C 96 56.800 56.800 55.192 1.608 18219
2067 1 4 . 1 1 105 105 LEU CB C 96 40.951 40.951 43.145 -2.194 18219
2068 1 4 . 1 1 105 105 LEU H H 96 7.893 7.893 7.454 0.439 18219
2069 1 4 . 1 1 106 106 LEU N N 97 118.471 118.471 117.153 1.318 18219
2070 1 4 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.912 0.268 18219
2071 1 4 . 1 1 106 106 LEU C C 97 175.802 175.802 176.155 -0.353 18219
2072 1 4 . 1 1 106 106 LEU CA C 97 56.300 56.300 56.237 0.063 18219
2073 1 4 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.510 1.082 18219
2074 1 4 . 1 1 106 106 LEU H H 97 7.545 7.545 8.196 -0.651 18219
2075 1 4 . 1 1 107 107 LEU N N 98 118.162 118.162 117.802 0.360 18219
2076 1 4 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.112 0.118 18219
2077 1 4 . 1 1 107 107 LEU C C 98 174.174 174.174 178.049 -3.875 18219
2078 1 4 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.959 0.324 18219
2079 1 4 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.241 0.121 18219
2080 1 4 . 1 1 107 107 LEU H H 98 7.688 7.688 7.940 -0.252 18219
2081 1 5 . 1 1 11 11 ASP N N 2 120.536 120.536 120.637 -0.101 18219
2082 1 5 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.451 1.467 18219
2083 1 5 . 1 1 11 11 ASP CB C 2 37.959 37.959 40.731 -2.772 18219
2084 1 5 . 1 1 11 11 ASP H H 2 7.863 7.863 8.401 -0.538 18219
2085 1 5 . 1 1 12 12 LEU N N 3 121.414 121.414 121.831 -0.417 18219
2086 1 5 . 1 1 12 12 LEU C C 3 176.162 176.162 179.136 -2.974 18219
2087 1 5 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.990 0.610 18219
2088 1 5 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.014 -0.356 18219
2089 1 5 . 1 1 12 12 LEU H H 3 8.285 8.285 7.864 0.421 18219
2090 1 5 . 1 1 13 13 ILE N N 4 118.854 118.854 117.655 1.199 18219
2091 1 5 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.805 -0.065 18219
2092 1 5 . 1 1 13 13 ILE C C 4 175.228 175.228 177.756 -2.528 18219
2093 1 5 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.662 0.838 18219
2094 1 5 . 1 1 13 13 ILE CB C 4 37.102 37.102 37.824 -0.722 18219
2095 1 5 . 1 1 13 13 ILE H H 4 8.031 8.031 7.882 0.149 18219
2096 1 5 . 1 1 14 14 GLY N N 5 107.478 107.478 106.287 1.191 18219
2097 1 5 . 1 1 14 14 GLY C C 5 174.424 174.424 176.048 -1.624 18219
2098 1 5 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.787 0.272 18219
2099 1 5 . 1 1 14 14 GLY H H 5 8.148 8.148 8.259 -0.111 18219
2100 1 5 . 1 1 15 15 PHE N N 6 122.774 122.774 123.832 -1.058 18219
2101 1 5 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.249 0.231 18219
2102 1 5 . 1 1 15 15 PHE C C 6 175.113 175.113 177.228 -2.115 18219
2103 1 5 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.820 -1.803 18219
2104 1 5 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.511 0.263 18219
2105 1 5 . 1 1 15 15 PHE H H 6 8.194 8.194 8.700 -0.506 18219
2106 1 5 . 1 1 16 16 GLY N N 7 107.938 107.938 106.374 1.564 18219
2107 1 5 . 1 1 16 16 GLY C C 7 171.838 171.838 175.650 -3.812 18219
2108 1 5 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.549 -0.449 18219
2109 1 5 . 1 1 16 16 GLY H H 7 8.697 8.697 8.649 0.048 18219
2110 1 5 . 1 1 17 17 TYR N N 8 121.785 121.785 123.469 -1.684 18219
2111 1 5 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.164 -0.014 18219
2112 1 5 . 1 1 17 17 TYR C C 8 174.180 174.180 177.624 -3.444 18219
2113 1 5 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.218 1.082 18219
2114 1 5 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.302 -0.343 18219
2115 1 5 . 1 1 17 17 TYR H H 8 8.710 8.710 8.167 0.543 18219
2116 1 5 . 1 1 18 18 ALA N N 9 120.233 120.233 120.437 -0.204 18219
2117 1 5 . 1 1 18 18 ALA HA H 9 3.950 3.950 4.035 -0.085 18219
2118 1 5 . 1 1 18 18 ALA C C 9 178.059 178.059 178.883 -0.824 18219
2119 1 5 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.378 0.494 18219
2120 1 5 . 1 1 18 18 ALA CB C 9 17.562 17.562 18.043 -0.481 18219
2121 1 5 . 1 1 18 18 ALA H H 9 7.843 7.843 8.208 -0.365 18219
2122 1 5 . 1 1 19 19 ALA N N 10 121.797 121.797 123.122 -1.325 18219
2123 1 5 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.009 -0.059 18219
2124 1 5 . 1 1 19 19 ALA C C 10 176.191 176.191 179.495 -3.304 18219
2125 1 5 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.941 -0.341 18219
2126 1 5 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.379 -0.817 18219
2127 1 5 . 1 1 19 19 ALA H H 10 8.212 8.212 8.220 -0.008 18219
2128 1 5 . 1 1 20 20 LEU N N 11 119.442 119.442 117.369 2.073 18219
2129 1 5 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.067 -0.130 18219
2130 1 5 . 1 1 20 20 LEU C C 11 176.694 176.694 178.902 -2.208 18219
2131 1 5 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.019 -0.219 18219
2132 1 5 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.099 0.123 18219
2133 1 5 . 1 1 20 20 LEU H H 11 8.065 8.065 8.354 -0.289 18219
2134 1 5 . 1 1 21 21 VAL N N 12 118.323 118.323 120.523 -2.200 18219
2135 1 5 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.636 0.004 18219
2136 1 5 . 1 1 21 21 VAL C C 12 176.536 176.536 178.633 -2.097 18219
2137 1 5 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.015 -1.615 18219
2138 1 5 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.795 0.340 18219
2139 1 5 . 1 1 21 21 VAL H H 12 8.051 8.051 8.397 -0.346 18219
2140 1 5 . 1 1 22 22 THR N N 13 118.298 118.298 116.455 1.843 18219
2141 1 5 . 1 1 22 22 THR HA H 13 4.660 4.660 4.067 0.593 18219
2142 1 5 . 1 1 22 22 THR C C 13 173.734 173.734 176.575 -2.841 18219
2143 1 5 . 1 1 22 22 THR CA C 13 66.300 66.300 67.138 -0.838 18219
2144 1 5 . 1 1 22 22 THR CB C 13 67.775 67.775 68.741 -0.966 18219
2145 1 5 . 1 1 22 22 THR H H 13 7.944 7.944 8.003 -0.059 18219
2146 1 5 . 1 1 23 23 PHE N N 14 121.328 121.328 122.500 -1.172 18219
2147 1 5 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.287 0.053 18219
2148 1 5 . 1 1 23 23 PHE C C 14 174.783 174.783 177.480 -2.697 18219
2149 1 5 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.478 -0.979 18219
2150 1 5 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.906 -0.280 18219
2151 1 5 . 1 1 23 23 PHE H H 14 8.567 8.567 8.424 0.143 18219
2152 1 5 . 1 1 24 24 GLY N N 15 106.871 106.871 105.195 1.676 18219
2153 1 5 . 1 1 24 24 GLY C C 15 172.858 172.858 176.648 -3.790 18219
2154 1 5 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.160 -0.260 18219
2155 1 5 . 1 1 24 24 GLY H H 15 8.475 8.475 9.067 -0.592 18219
2156 1 5 . 1 1 25 25 SER N N 16 116.214 116.214 117.457 -1.243 18219
2157 1 5 . 1 1 25 25 SER HA H 16 4.280 4.280 4.475 -0.195 18219
2158 1 5 . 1 1 25 25 SER CA C 16 60.300 60.300 61.371 -1.071 18219
2159 1 5 . 1 1 25 25 SER CB C 16 62.879 62.879 63.214 -0.335 18219
2160 1 5 . 1 1 25 25 SER H H 16 7.963 7.963 8.005 -0.042 18219
2161 1 5 . 1 1 26 26 ILE N N 17 121.024 121.024 121.810 -0.786 18219
2162 1 5 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.889 0.057 18219
2163 1 5 . 1 1 26 26 ILE C C 17 173.935 173.935 178.185 -4.250 18219
2164 1 5 . 1 1 26 26 ILE CA C 17 63.100 63.100 63.517 -0.417 18219
2165 1 5 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.464 0.643 18219
2166 1 5 . 1 1 26 26 ILE H H 17 7.676 7.676 8.022 -0.346 18219
2167 1 5 . 1 1 27 27 PHE N N 18 117.142 117.142 119.019 -1.877 18219
2168 1 5 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.004 0.426 18219
2169 1 5 . 1 1 27 27 PHE C C 18 173.504 173.504 176.141 -2.637 18219
2170 1 5 . 1 1 27 27 PHE CA C 18 58.500 58.500 61.126 -2.626 18219
2171 1 5 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.124 -0.350 18219
2172 1 5 . 1 1 27 27 PHE H H 18 7.703 7.703 8.344 -0.641 18219
2173 1 5 . 1 1 28 28 GLY N N 19 107.303 107.303 104.937 2.366 18219
2174 1 5 . 1 1 28 28 GLY C C 19 171.593 171.593 173.578 -1.985 18219
2175 1 5 . 1 1 28 28 GLY CA C 19 45.600 45.600 44.882 0.718 18219
2176 1 5 . 1 1 28 28 GLY H H 19 7.722 7.722 7.760 -0.038 18219
2177 1 5 . 1 1 29 29 TYR N N 20 119.862 119.862 123.232 -3.370 18219
2178 1 5 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.278 0.114 18219
2179 1 5 . 1 1 29 29 TYR C C 20 173.174 173.174 176.057 -2.883 18219
2180 1 5 . 1 1 29 29 TYR CA C 20 58.500 58.500 57.624 0.876 18219
2181 1 5 . 1 1 29 29 TYR CB C 20 38.404 38.404 38.427 -0.023 18219
2182 1 5 . 1 1 29 29 TYR H H 20 7.880 7.880 8.448 -0.568 18219
2183 1 5 . 1 1 30 30 LYS N N 21 122.335 122.335 126.927 -4.592 18219
2184 1 5 . 1 1 30 30 LYS HA H 21 4.390 4.390 3.756 0.634 18219
2185 1 5 . 1 1 30 30 LYS C C 21 173.547 173.547 176.376 -2.829 18219
2186 1 5 . 1 1 30 30 LYS CA C 21 55.800 55.800 58.721 -2.921 18219
2187 1 5 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.697 -0.301 18219
2188 1 5 . 1 1 30 30 LYS H H 21 7.934 7.934 8.358 -0.424 18219
2189 1 5 . 1 1 31 31 ARG N N 22 120.612 120.612 113.913 6.699 18219
2190 1 5 . 1 1 31 31 ARG C C 22 173.547 173.547 174.790 -1.243 18219
2191 1 5 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.282 0.552 18219
2192 1 5 . 1 1 31 31 ARG CB C 22 30.101 30.101 32.293 -2.192 18219
2193 1 5 . 1 1 31 31 ARG H H 22 7.905 7.905 7.567 0.338 18219
2194 1 5 . 1 1 32 32 ARG N N 23 121.748 121.748 122.572 -0.824 18219
2195 1 5 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.502 -0.192 18219
2196 1 5 . 1 1 32 32 ARG C C 23 173.863 173.863 177.135 -3.272 18219
2197 1 5 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.958 -1.158 18219
2198 1 5 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.834 -0.589 18219
2199 1 5 . 1 1 32 32 ARG H H 23 8.175 8.175 8.853 -0.678 18219
2200 1 5 . 1 1 33 33 GLY N N 24 109.528 109.528 108.005 1.523 18219
2201 1 5 . 1 1 33 33 GLY C C 24 171.752 171.752 173.954 -2.202 18219
2202 1 5 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.769 0.131 18219
2203 1 5 . 1 1 33 33 GLY H H 24 8.264 8.264 8.627 -0.363 18219
2204 1 5 . 1 1 34 34 GLY N N 25 108.563 108.563 108.008 0.555 18219
2205 1 5 . 1 1 34 34 GLY C C 25 171.701 171.701 174.439 -2.738 18219
2206 1 5 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.447 0.153 18219
2207 1 5 . 1 1 34 34 GLY H H 25 8.208 8.208 7.871 0.337 18219
2208 1 5 . 1 1 35 35 VAL N N 26 121.164 121.164 121.570 -0.406 18219
2209 1 5 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.041 -0.031 18219
2210 1 5 . 1 1 35 35 VAL C C 26 175.888 175.888 176.279 -0.391 18219
2211 1 5 . 1 1 35 35 VAL CA C 26 63.900 63.900 64.873 -0.973 18219
2212 1 5 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.105 -0.415 18219
2213 1 5 . 1 1 35 35 VAL H H 26 8.485 8.485 8.243 0.242 18219
2214 1 5 . 1 1 36 36 PRO C C 27 177.660 177.660 175.789 1.871 18219
2215 1 5 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.917 -2.070 18219
2216 1 5 . 1 1 37 37 SER N N 28 116.023 116.023 115.597 0.426 18219
2217 1 5 . 1 1 37 37 SER HA H 28 4.280 4.280 4.531 -0.251 18219
2218 1 5 . 1 1 37 37 SER CA C 28 61.100 61.100 60.042 1.058 18219
2219 1 5 . 1 1 37 37 SER H H 28 7.948 7.948 8.417 -0.469 18219
2220 1 5 . 1 1 38 38 LEU N N 29 124.029 124.029 121.221 2.808 18219
2221 1 5 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.026 0.144 18219
2222 1 5 . 1 1 38 38 LEU C C 29 176.132 176.132 178.299 -2.167 18219
2223 1 5 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.374 -0.874 18219
2224 1 5 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.181 0.857 18219
2225 1 5 . 1 1 38 38 LEU H H 29 8.201 8.201 7.491 0.710 18219
2226 1 5 . 1 1 39 39 ILE N N 30 117.098 117.098 118.713 -1.615 18219
2227 1 5 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.851 0.519 18219
2228 1 5 . 1 1 39 39 ILE C C 30 176.478 176.478 177.000 -0.522 18219
2229 1 5 . 1 1 39 39 ILE CA C 30 63.079 63.079 62.220 0.859 18219
2230 1 5 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.297 -0.325 18219
2231 1 5 . 1 1 39 39 ILE H H 30 7.662 7.662 8.063 -0.401 18219
2232 1 5 . 1 1 40 40 ALA N N 31 122.447 122.447 122.398 0.049 18219
2233 1 5 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.202 -0.168 18219
2234 1 5 . 1 1 40 40 ALA C C 31 177.067 177.067 179.808 -2.741 18219
2235 1 5 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.489 0.473 18219
2236 1 5 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.985 -0.129 18219
2237 1 5 . 1 1 40 40 ALA H H 31 8.096 8.096 8.254 -0.158 18219
2238 1 5 . 1 1 41 41 GLY N N 32 104.056 104.056 107.947 -3.891 18219
2239 1 5 . 1 1 41 41 GLY C C 32 174.251 174.251 175.844 -1.593 18219
2240 1 5 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.852 -0.352 18219
2241 1 5 . 1 1 41 41 GLY H H 32 8.123 8.123 8.155 -0.032 18219
2242 1 5 . 1 1 42 42 LEU N N 33 123.250 123.250 122.869 0.381 18219
2243 1 5 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.992 -0.135 18219
2244 1 5 . 1 1 42 42 LEU C C 33 176.033 176.033 178.251 -2.218 18219
2245 1 5 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.087 -1.419 18219
2246 1 5 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.111 -0.390 18219
2247 1 5 . 1 1 42 42 LEU H H 33 7.914 7.914 8.157 -0.243 18219
2248 1 5 . 1 1 43 43 PHE N N 34 119.757 119.757 119.205 0.552 18219
2249 1 5 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.115 0.085 18219
2250 1 5 . 1 1 43 43 PHE C C 34 174.374 174.374 177.272 -2.898 18219
2251 1 5 . 1 1 43 43 PHE CA C 34 59.876 59.876 61.285 -1.409 18219
2252 1 5 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.773 0.062 18219
2253 1 5 . 1 1 43 43 PHE H H 34 8.287 8.287 8.171 0.116 18219
2254 1 5 . 1 1 44 44 VAL N N 35 117.791 117.791 118.751 -0.960 18219
2255 1 5 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.361 0.249 18219
2256 1 5 . 1 1 44 44 VAL C C 35 176.205 176.205 178.363 -2.158 18219
2257 1 5 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.795 -2.236 18219
2258 1 5 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.555 -0.123 18219
2259 1 5 . 1 1 44 44 VAL H H 35 8.235 8.235 8.256 -0.021 18219
2260 1 5 . 1 1 45 45 GLY N N 36 108.551 108.551 107.085 1.466 18219
2261 1 5 . 1 1 45 45 GLY C C 36 173.749 173.749 175.605 -1.856 18219
2262 1 5 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.122 -1.039 18219
2263 1 5 . 1 1 45 45 GLY H H 36 8.178 8.178 8.518 -0.340 18219
2264 1 5 . 1 1 46 46 CYS N N 37 121.173 121.173 122.511 -1.338 18219
2265 1 5 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.171 0.009 18219
2266 1 5 . 1 1 46 46 CYS C C 37 173.710 173.710 176.625 -2.915 18219
2267 1 5 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.926 -0.926 18219
2268 1 5 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.854 32.429 18219
2269 1 5 . 1 1 46 46 CYS H H 37 8.253 8.253 8.177 0.076 18219
2270 1 5 . 1 1 47 47 LEU N N 38 120.283 120.283 119.479 0.804 18219
2271 1 5 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.023 0.037 18219
2272 1 5 . 1 1 47 47 LEU C C 38 176.679 176.679 177.949 -1.270 18219
2273 1 5 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.097 -2.070 18219
2274 1 5 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.504 0.960 18219
2275 1 5 . 1 1 47 47 LEU H H 38 7.965 7.965 8.536 -0.571 18219
2276 1 5 . 1 1 48 48 ALA N N 39 122.249 122.249 121.996 0.253 18219
2277 1 5 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.953 0.189 18219
2278 1 5 . 1 1 48 48 ALA C C 39 177.915 177.915 179.520 -1.605 18219
2279 1 5 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.198 -1.481 18219
2280 1 5 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.110 -0.125 18219
2281 1 5 . 1 1 48 48 ALA H H 39 8.066 8.066 7.865 0.201 18219
2282 1 5 . 1 1 49 49 GLY N N 40 107.377 107.377 107.273 0.104 18219
2283 1 5 . 1 1 49 49 GLY C C 40 172.527 172.527 175.725 -3.198 18219
2284 1 5 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.850 -1.400 18219
2285 1 5 . 1 1 49 49 GLY H H 40 8.172 8.172 8.308 -0.136 18219
2286 1 5 . 1 1 50 50 TYR N N 41 122.409 122.409 123.327 -0.918 18219
2287 1 5 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.235 -0.436 18219
2288 1 5 . 1 1 50 50 TYR C C 41 174.208 174.208 177.627 -3.419 18219
2289 1 5 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.725 -1.480 18219
2290 1 5 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.512 -0.576 18219
2291 1 5 . 1 1 50 50 TYR H H 41 7.800 7.800 8.534 -0.734 18219
2292 1 5 . 1 1 51 51 GLY N N 42 106.935 106.935 107.332 -0.397 18219
2293 1 5 . 1 1 51 51 GLY C C 42 172.642 172.642 175.184 -2.542 18219
2294 1 5 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.550 0.715 18219
2295 1 5 . 1 1 51 51 GLY H H 42 8.199 8.199 7.739 0.460 18219
2296 1 5 . 1 1 52 52 ALA N N 43 123.018 123.018 123.737 -0.719 18219
2297 1 5 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.039 0.111 18219
2298 1 5 . 1 1 52 52 ALA C C 43 176.398 176.398 178.796 -2.398 18219
2299 1 5 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.301 -1.418 18219
2300 1 5 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.886 -0.645 18219
2301 1 5 . 1 1 52 52 ALA H H 43 7.758 7.758 7.923 -0.165 18219
2302 1 5 . 1 1 53 53 TYR N N 44 119.664 119.664 116.547 3.117 18219
2303 1 5 . 1 1 53 53 TYR HA H 44 4.318 4.318 3.956 0.362 18219
2304 1 5 . 1 1 53 53 TYR C C 44 174.180 174.180 176.730 -2.550 18219
2305 1 5 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.474 -2.881 18219
2306 1 5 . 1 1 53 53 TYR CB C 44 38.192 38.192 37.298 0.894 18219
2307 1 5 . 1 1 53 53 TYR H H 44 7.920 7.920 8.401 -0.481 18219
2308 1 5 . 1 1 54 54 ARG N N 45 119.516 119.516 117.683 1.833 18219
2309 1 5 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.518 -0.588 18219
2310 1 5 . 1 1 54 54 ARG C C 45 174.423 174.423 175.857 -1.434 18219
2311 1 5 . 1 1 54 54 ARG CA C 45 56.027 56.027 55.576 0.451 18219
2312 1 5 . 1 1 54 54 ARG CB C 45 30.173 30.173 32.150 -1.977 18219
2313 1 5 . 1 1 54 54 ARG H H 45 7.956 7.956 8.462 -0.506 18219
2314 1 5 . 1 1 55 55 VAL N N 46 116.437 116.437 119.126 -2.689 18219
2315 1 5 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.904 0.156 18219
2316 1 5 . 1 1 55 55 VAL C C 46 173.806 173.806 175.480 -1.674 18219
2317 1 5 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.208 -0.908 18219
2318 1 5 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.965 -0.444 18219
2319 1 5 . 1 1 55 55 VAL H H 46 7.489 7.489 6.994 0.495 18219
2320 1 5 . 1 1 56 56 SER N N 47 117.185 117.185 113.189 3.996 18219
2321 1 5 . 1 1 56 56 SER HA H 47 4.401 4.401 4.329 0.072 18219
2322 1 5 . 1 1 56 56 SER C C 47 172.074 172.074 175.762 -3.688 18219
2323 1 5 . 1 1 56 56 SER CA C 47 58.133 58.133 59.375 -1.242 18219
2324 1 5 . 1 1 56 56 SER CB C 47 63.468 63.468 63.625 -0.157 18219
2325 1 5 . 1 1 56 56 SER H H 47 7.728 7.728 7.467 0.261 18219
2326 1 5 . 1 1 57 57 ASN N N 48 121.049 121.049 126.040 -4.991 18219
2327 1 5 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.413 0.177 18219
2328 1 5 . 1 1 57 57 ASN CA C 48 53.600 53.600 56.165 -2.565 18219
2329 1 5 . 1 1 57 57 ASN CB C 48 38.641 38.641 36.970 1.671 18219
2330 1 5 . 1 1 57 57 ASN H H 48 8.228 8.228 9.046 -0.818 18219
2331 1 5 . 1 1 58 58 ASP N N 49 120.276 120.276 122.403 -2.127 18219
2332 1 5 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.522 0.008 18219
2333 1 5 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.390 -1.188 18219
2334 1 5 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.658 -1.284 18219
2335 1 5 . 1 1 58 58 ASP H H 49 8.192 8.192 8.561 -0.369 18219
2336 1 5 . 1 1 59 59 LYS N N 50 120.660 120.660 116.300 4.360 18219
2337 1 5 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.455 -0.255 18219
2338 1 5 . 1 1 59 59 LYS C C 50 173.474 173.474 174.352 -0.878 18219
2339 1 5 . 1 1 59 59 LYS CA C 50 56.300 56.300 54.951 1.349 18219
2340 1 5 . 1 1 59 59 LYS CB C 50 32.034 32.034 35.469 -3.436 18219
2341 1 5 . 1 1 59 59 LYS H H 50 8.003 8.003 7.446 0.557 18219
2342 1 5 . 1 1 60 60 ARG N N 51 121.278 121.278 119.789 1.489 18219
2343 1 5 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.077 0.123 18219
2344 1 5 . 1 1 60 60 ARG C C 51 173.303 173.303 175.245 -1.942 18219
2345 1 5 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.368 -1.085 18219
2346 1 5 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.294 -0.056 18219
2347 1 5 . 1 1 60 60 ARG H H 51 8.091 8.091 8.479 -0.388 18219
2348 1 5 . 1 1 61 61 ASP N N 52 121.185 121.185 122.148 -0.963 18219
2349 1 5 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.652 -0.037 18219
2350 1 5 . 1 1 61 61 ASP C C 52 173.777 173.777 178.043 -4.266 18219
2351 1 5 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.675 -1.696 18219
2352 1 5 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.508 -1.263 18219
2353 1 5 . 1 1 61 61 ASP H H 52 8.261 8.261 8.588 -0.327 18219
2354 1 5 . 1 1 62 62 VAL N N 53 121.902 121.902 120.102 1.800 18219
2355 1 5 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.121 -0.171 18219
2356 1 5 . 1 1 62 62 VAL C C 53 173.279 173.279 177.031 -3.752 18219
2357 1 5 . 1 1 62 62 VAL CA C 53 63.176 63.176 64.030 -0.854 18219
2358 1 5 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.156 -0.056 18219
2359 1 5 . 1 1 62 62 VAL H H 53 7.997 7.997 8.022 -0.025 18219
2360 1 5 . 1 1 63 63 LYS N N 54 123.522 123.522 121.582 1.940 18219
2361 1 5 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.158 0.102 18219
2362 1 5 . 1 1 63 63 LYS C C 54 174.481 174.481 178.538 -4.057 18219
2363 1 5 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.572 -3.225 18219
2364 1 5 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.225 -0.126 18219
2365 1 5 . 1 1 63 63 LYS H H 54 8.054 8.054 8.317 -0.263 18219
2366 1 5 . 1 1 64 64 VAL N N 55 120.647 120.647 117.959 2.688 18219
2367 1 5 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.823 0.124 18219
2368 1 5 . 1 1 64 64 VAL C C 55 174.955 174.955 177.558 -2.603 18219
2369 1 5 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.512 -0.912 18219
2370 1 5 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.970 0.907 18219
2371 1 5 . 1 1 64 64 VAL H H 55 8.225 8.225 8.027 0.198 18219
2372 1 5 . 1 1 65 65 SER N N 56 117.785 117.785 116.427 1.358 18219
2373 1 5 . 1 1 65 65 SER HA H 56 4.390 4.390 4.142 0.248 18219
2374 1 5 . 1 1 65 65 SER C C 56 172.300 172.300 176.668 -4.368 18219
2375 1 5 . 1 1 65 65 SER CA C 56 60.000 60.000 62.101 -2.101 18219
2376 1 5 . 1 1 65 65 SER CB C 56 62.879 62.879 63.000 -0.121 18219
2377 1 5 . 1 1 65 65 SER H H 56 8.260 8.260 7.658 0.602 18219
2378 1 5 . 1 1 66 66 LEU N N 57 123.318 123.318 122.233 1.085 18219
2379 1 5 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.155 -0.065 18219
2380 1 5 . 1 1 66 66 LEU C C 57 175.932 175.932 178.254 -2.322 18219
2381 1 5 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.326 -0.824 18219
2382 1 5 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.236 -0.515 18219
2383 1 5 . 1 1 66 66 LEU H H 57 8.091 8.091 8.108 -0.017 18219
2384 1 5 . 1 1 67 67 PHE N N 58 118.020 118.020 118.775 -0.755 18219
2385 1 5 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.001 0.329 18219
2386 1 5 . 1 1 67 67 PHE C C 58 174.912 174.912 177.483 -2.571 18219
2387 1 5 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.738 -1.138 18219
2388 1 5 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.718 -0.166 18219
2389 1 5 . 1 1 67 67 PHE H H 58 8.066 8.066 8.736 -0.670 18219
2390 1 5 . 1 1 68 68 THR N N 59 115.324 115.324 116.378 -1.054 18219
2391 1 5 . 1 1 68 68 THR HA H 59 4.310 4.310 4.183 0.127 18219
2392 1 5 . 1 1 68 68 THR C C 59 173.380 173.380 176.349 -2.969 18219
2393 1 5 . 1 1 68 68 THR CA C 59 66.313 66.313 67.448 -1.135 18219
2394 1 5 . 1 1 68 68 THR CB C 59 67.700 67.700 68.680 -0.980 18219
2395 1 5 . 1 1 68 68 THR H H 59 8.287 8.287 8.460 -0.173 18219
2396 1 5 . 1 1 69 69 ALA N N 60 123.621 123.621 124.681 -1.060 18219
2397 1 5 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.083 0.197 18219
2398 1 5 . 1 1 69 69 ALA C C 60 176.978 176.978 179.879 -2.901 18219
2399 1 5 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.105 -0.005 18219
2400 1 5 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.246 -0.518 18219
2401 1 5 . 1 1 69 69 ALA H H 60 7.983 7.983 8.106 -0.123 18219
2402 1 5 . 1 1 70 70 PHE N N 61 118.520 118.520 118.493 0.027 18219
2403 1 5 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.179 0.081 18219
2404 1 5 . 1 1 70 70 PHE C C 61 175.369 175.369 177.271 -1.902 18219
2405 1 5 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.858 -1.679 18219
2406 1 5 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.194 -0.488 18219
2407 1 5 . 1 1 70 70 PHE H H 61 8.007 8.007 8.782 -0.775 18219
2408 1 5 . 1 1 71 71 PHE N N 62 122.314 122.314 120.318 1.996 18219
2409 1 5 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.078 -0.078 18219
2410 1 5 . 1 1 71 71 PHE C C 62 174.697 174.697 177.266 -2.569 18219
2411 1 5 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.147 -1.630 18219
2412 1 5 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.946 -0.176 18219
2413 1 5 . 1 1 71 71 PHE H H 62 8.546 8.546 8.136 0.410 18219
2414 1 5 . 1 1 72 72 LEU N N 63 119.399 119.399 119.837 -0.438 18219
2415 1 5 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.742 0.128 18219
2416 1 5 . 1 1 72 72 LEU C C 63 175.774 175.774 178.580 -2.806 18219
2417 1 5 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.880 -1.956 18219
2418 1 5 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.657 -0.450 18219
2419 1 5 . 1 1 72 72 LEU H H 63 8.396 8.396 8.741 -0.345 18219
2420 1 5 . 1 1 73 73 ALA N N 64 120.221 120.221 120.644 -0.423 18219
2421 1 5 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.842 0.118 18219
2422 1 5 . 1 1 73 73 ALA C C 64 177.267 177.267 179.655 -2.388 18219
2423 1 5 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.493 -0.894 18219
2424 1 5 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.741 0.043 18219
2425 1 5 . 1 1 73 73 ALA H H 64 8.025 8.025 8.053 -0.028 18219
2426 1 5 . 1 1 74 74 THR N N 65 113.648 113.648 115.371 -1.723 18219
2427 1 5 . 1 1 74 74 THR HA H 65 3.980 3.980 3.831 0.149 18219
2428 1 5 . 1 1 74 74 THR CA C 65 66.291 66.291 66.874 -0.583 18219
2429 1 5 . 1 1 74 74 THR CB C 65 67.914 67.914 68.781 -0.867 18219
2430 1 5 . 1 1 74 74 THR H H 65 7.717 7.717 7.718 -0.001 18219
2431 1 5 . 1 1 75 75 ILE N N 66 120.291 120.291 121.211 -0.920 18219
2432 1 5 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.472 0.268 18219
2433 1 5 . 1 1 75 75 ILE C C 66 174.951 174.951 178.482 -3.531 18219
2434 1 5 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.088 0.792 18219
2435 1 5 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.125 0.041 18219
2436 1 5 . 1 1 75 75 ILE H H 66 7.738 7.738 7.960 -0.222 18219
2437 1 5 . 1 1 76 76 MET N N 67 117.618 117.618 116.980 0.638 18219
2438 1 5 . 1 1 76 76 MET HA H 67 4.220 4.220 4.078 0.142 18219
2439 1 5 . 1 1 76 76 MET C C 67 175.142 175.142 178.428 -3.286 18219
2440 1 5 . 1 1 76 76 MET CA C 67 56.723 56.723 57.882 -1.159 18219
2441 1 5 . 1 1 76 76 MET CB C 67 31.951 31.951 32.796 -0.845 18219
2442 1 5 . 1 1 76 76 MET H H 67 7.823 7.823 8.516 -0.693 18219
2443 1 5 . 1 1 77 77 GLY N N 68 107.110 107.110 105.356 1.754 18219
2444 1 5 . 1 1 77 77 GLY C C 68 172.260 172.260 175.758 -3.498 18219
2445 1 5 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.969 -0.169 18219
2446 1 5 . 1 1 77 77 GLY H H 68 7.937 7.937 8.281 -0.344 18219
2447 1 5 . 1 1 78 78 VAL N N 69 120.431 120.431 119.437 0.994 18219
2448 1 5 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.729 0.491 18219
2449 1 5 . 1 1 78 78 VAL CA C 69 63.900 63.900 65.024 -1.124 18219
2450 1 5 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.665 -0.159 18219
2451 1 5 . 1 1 78 78 VAL H H 69 7.697 7.697 8.442 -0.745 18219
2452 1 5 . 1 1 79 79 ARG N N 70 121.420 121.420 118.452 2.968 18219
2453 1 5 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.562 -0.752 18219
2454 1 5 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.195 1.205 18219
2455 1 5 . 1 1 79 79 ARG CB C 70 30.097 30.097 29.957 0.140 18219
2456 1 5 . 1 1 79 79 ARG H H 70 7.889 7.889 7.577 0.312 18219
2457 1 5 . 1 1 80 80 PHE N N 71 119.949 119.949 126.343 -6.394 18219
2458 1 5 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.608 -0.098 18219
2459 1 5 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.185 0.415 18219
2460 1 5 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.046 0.099 18219
2461 1 5 . 1 1 80 80 PHE H H 71 8.101 8.101 9.094 -0.993 18219
2462 1 5 . 1 1 81 81 LYS N N 72 122.193 122.193 124.525 -2.332 18219
2463 1 5 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.643 0.157 18219
2464 1 5 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.800 -1.478 18219
2465 1 5 . 1 1 81 81 LYS H H 72 8.090 8.090 8.464 -0.374 18219
2466 1 5 . 1 1 82 82 ARG N N 73 119.650 119.650 119.977 -0.327 18219
2467 1 5 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.322 -0.233 18219
2468 1 5 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.487 -0.316 18219
2469 1 5 . 1 1 82 82 ARG H H 73 8.052 8.052 8.358 -0.306 18219
2470 1 5 . 1 1 83 83 SER N N 74 115.734 115.734 118.028 -2.294 18219
2471 1 5 . 1 1 83 83 SER CA C 74 58.355 58.355 57.418 0.937 18219
2472 1 5 . 1 1 83 83 SER CB C 74 63.404 63.404 65.092 -1.688 18219
2473 1 5 . 1 1 83 83 SER H H 74 7.912 7.912 7.715 0.197 18219
2474 1 5 . 1 1 84 84 LYS N N 75 122.370 122.370 121.384 0.986 18219
2475 1 5 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.592 -0.457 18219
2476 1 5 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.025 -0.850 18219
2477 1 5 . 1 1 84 84 LYS H H 75 8.067 8.067 8.237 -0.170 18219
2478 1 5 . 1 1 86 86 ILE N N 77 119.592 119.592 118.597 0.995 18219
2479 1 5 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.967 -0.157 18219
2480 1 5 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.112 2.788 18219
2481 1 5 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.518 0.627 18219
2482 1 5 . 1 1 86 86 ILE H H 77 7.837 7.837 7.855 -0.018 18219
2483 1 5 . 1 1 87 87 MET N N 78 121.645 121.645 118.943 2.702 18219
2484 1 5 . 1 1 87 87 MET CA C 78 52.982 52.982 59.666 -6.684 18219
2485 1 5 . 1 1 87 87 MET CB C 78 32.173 32.173 30.815 1.358 18219
2486 1 5 . 1 1 87 87 MET H H 78 7.950 7.950 7.990 -0.040 18219
2487 1 5 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.561 -0.421 18219
2488 1 5 . 1 1 88 88 PRO C C 79 173.921 173.921 176.089 -2.168 18219
2489 1 5 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.493 0.307 18219
2490 1 5 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.483 1.653 18219
2491 1 5 . 1 1 89 89 ALA N N 80 124.431 124.431 125.520 -1.089 18219
2492 1 5 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.029 0.371 18219
2493 1 5 . 1 1 89 89 ALA C C 80 176.234 176.234 179.199 -2.965 18219
2494 1 5 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.689 -2.389 18219
2495 1 5 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.672 -0.174 18219
2496 1 5 . 1 1 89 89 ALA H H 80 8.320 8.320 8.391 -0.071 18219
2497 1 5 . 1 1 90 90 GLY N N 81 106.834 106.834 106.058 0.776 18219
2498 1 5 . 1 1 90 90 GLY C C 81 172.398 172.398 175.862 -3.464 18219
2499 1 5 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.854 -1.254 18219
2500 1 5 . 1 1 90 90 GLY H H 81 8.458 8.458 8.731 -0.273 18219
2501 1 5 . 1 1 91 91 LEU N N 82 121.043 121.043 122.144 -1.101 18219
2502 1 5 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.999 0.201 18219
2503 1 5 . 1 1 91 91 LEU C C 82 174.783 174.783 179.048 -4.265 18219
2504 1 5 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.658 -1.358 18219
2505 1 5 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.238 -0.132 18219
2506 1 5 . 1 1 91 91 LEU H H 82 7.687 7.687 7.632 0.055 18219
2507 1 5 . 1 1 92 92 VAL N N 83 114.737 114.737 115.086 -0.349 18219
2508 1 5 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.570 0.410 18219
2509 1 5 . 1 1 92 92 VAL C C 83 173.634 173.634 177.471 -3.837 18219
2510 1 5 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.440 -4.040 18219
2511 1 5 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.130 0.456 18219
2512 1 5 . 1 1 92 92 VAL H H 83 7.602 7.602 7.891 -0.289 18219
2513 1 5 . 1 1 93 93 ALA N N 84 124.320 124.320 121.889 2.431 18219
2514 1 5 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.984 0.166 18219
2515 1 5 . 1 1 93 93 ALA C C 84 175.746 175.746 179.789 -4.043 18219
2516 1 5 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.325 -2.025 18219
2517 1 5 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.806 0.435 18219
2518 1 5 . 1 1 93 93 ALA H H 84 7.891 7.891 8.220 -0.329 18219
2519 1 5 . 1 1 94 94 GLY N N 85 106.807 106.807 107.118 -0.311 18219
2520 1 5 . 1 1 94 94 GLY C C 85 171.752 171.752 175.808 -4.056 18219
2521 1 5 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.496 -1.247 18219
2522 1 5 . 1 1 94 94 GLY H H 85 8.204 8.204 8.366 -0.162 18219
2523 1 5 . 1 1 95 95 LEU N N 86 121.266 121.266 122.750 -1.484 18219
2524 1 5 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.131 0.249 18219
2525 1 5 . 1 1 95 95 LEU C C 86 173.702 173.702 179.112 -5.410 18219
2526 1 5 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.585 -2.585 18219
2527 1 5 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.398 0.900 18219
2528 1 5 . 1 1 95 95 LEU H H 86 7.718 7.718 7.993 -0.275 18219
2529 1 5 . 1 1 96 96 SER N N 87 115.658 115.658 115.408 0.250 18219
2530 1 5 . 1 1 96 96 SER HA H 87 4.370 4.370 4.190 0.180 18219
2531 1 5 . 1 1 96 96 SER C C 87 172.479 172.479 176.736 -4.257 18219
2532 1 5 . 1 1 96 96 SER CA C 87 57.200 57.200 62.386 -5.186 18219
2533 1 5 . 1 1 96 96 SER CB C 87 64.174 64.174 63.221 0.953 18219
2534 1 5 . 1 1 96 96 SER H H 87 7.659 7.659 8.231 -0.572 18219
2535 1 5 . 1 1 97 97 LEU N N 88 123.720 123.720 122.175 1.545 18219
2536 1 5 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.924 0.676 18219
2537 1 5 . 1 1 97 97 LEU C C 88 175.932 175.932 178.868 -2.936 18219
2538 1 5 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.156 -0.556 18219
2539 1 5 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.833 -0.433 18219
2540 1 5 . 1 1 97 97 LEU H H 88 8.733 8.733 8.208 0.525 18219
2541 1 5 . 1 1 98 98 MET N N 89 116.684 116.684 119.165 -2.481 18219
2542 1 5 . 1 1 98 98 MET HA H 89 4.280 4.280 4.098 0.182 18219
2543 1 5 . 1 1 98 98 MET C C 89 175.789 175.789 177.984 -2.195 18219
2544 1 5 . 1 1 98 98 MET CA C 89 56.915 56.915 58.723 -1.808 18219
2545 1 5 . 1 1 98 98 MET CB C 89 31.007 31.007 32.676 -1.669 18219
2546 1 5 . 1 1 98 98 MET H H 89 8.342 8.342 8.363 -0.021 18219
2547 1 5 . 1 1 99 99 MET N N 90 119.182 119.182 119.390 -0.208 18219
2548 1 5 . 1 1 99 99 MET HA H 90 4.110 4.110 4.061 0.049 18219
2549 1 5 . 1 1 99 99 MET C C 90 175.588 175.588 178.861 -3.273 18219
2550 1 5 . 1 1 99 99 MET CA C 90 57.951 57.951 59.019 -1.068 18219
2551 1 5 . 1 1 99 99 MET CB C 90 32.226 32.226 32.413 -0.187 18219
2552 1 5 . 1 1 99 99 MET H H 90 7.720 7.720 8.033 -0.313 18219
2553 1 5 . 1 1 100 100 ILE N N 91 119.077 119.077 118.998 0.079 18219
2554 1 5 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.813 0.297 18219
2555 1 5 . 1 1 100 100 ILE C C 91 174.634 174.634 177.459 -2.825 18219
2556 1 5 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.439 -0.339 18219
2557 1 5 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.050 -0.907 18219
2558 1 5 . 1 1 100 100 ILE H H 91 7.662 7.662 8.252 -0.590 18219
2559 1 5 . 1 1 101 101 LEU N N 92 119.646 119.646 120.606 -0.960 18219
2560 1 5 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.962 0.568 18219
2561 1 5 . 1 1 101 101 LEU C C 92 175.430 175.430 178.637 -3.207 18219
2562 1 5 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.787 0.013 18219
2563 1 5 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.759 -1.001 18219
2564 1 5 . 1 1 101 101 LEU H H 92 8.142 8.142 7.910 0.232 18219
2565 1 5 . 1 1 102 102 ARG N N 93 116.394 116.394 118.241 -1.847 18219
2566 1 5 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.316 -0.176 18219
2567 1 5 . 1 1 102 102 ARG C C 93 175.961 175.961 178.109 -2.148 18219
2568 1 5 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.409 0.691 18219
2569 1 5 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.931 -1.527 18219
2570 1 5 . 1 1 102 102 ARG H H 93 7.893 7.893 8.255 -0.362 18219
2571 1 5 . 1 1 103 103 LEU N N 94 119.114 119.114 122.235 -3.121 18219
2572 1 5 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.120 -0.010 18219
2573 1 5 . 1 1 103 103 LEU C C 94 175.889 175.889 178.293 -2.404 18219
2574 1 5 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.781 -0.481 18219
2575 1 5 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.722 -0.426 18219
2576 1 5 . 1 1 103 103 LEU H H 94 7.622 7.622 8.003 -0.381 18219
2577 1 5 . 1 1 104 104 VAL N N 95 117.704 117.704 120.344 -2.640 18219
2578 1 5 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.737 -0.207 18219
2579 1 5 . 1 1 104 104 VAL C C 95 175.042 175.042 177.565 -2.523 18219
2580 1 5 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.474 0.945 18219
2581 1 5 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.678 -0.321 18219
2582 1 5 . 1 1 104 104 VAL H H 95 8.026 8.026 7.966 0.060 18219
2583 1 5 . 1 1 105 105 LEU N N 96 117.185 117.185 117.443 -0.258 18219
2584 1 5 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.315 -0.335 18219
2585 1 5 . 1 1 105 105 LEU C C 96 176.579 176.579 177.642 -1.063 18219
2586 1 5 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.189 0.611 18219
2587 1 5 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.334 -1.383 18219
2588 1 5 . 1 1 105 105 LEU H H 96 7.893 7.893 7.514 0.379 18219
2589 1 5 . 1 1 106 106 LEU N N 97 118.471 118.471 117.651 0.820 18219
2590 1 5 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.924 0.256 18219
2591 1 5 . 1 1 106 106 LEU C C 97 175.802 175.802 176.003 -0.201 18219
2592 1 5 . 1 1 106 106 LEU CA C 97 56.300 56.300 56.078 0.222 18219
2593 1 5 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.552 1.040 18219
2594 1 5 . 1 1 106 106 LEU H H 97 7.545 7.545 8.390 -0.845 18219
2595 1 5 . 1 1 107 107 LEU N N 98 118.162 118.162 114.812 3.350 18219
2596 1 5 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.403 -0.173 18219
2597 1 5 . 1 1 107 107 LEU C C 98 174.174 174.174 176.812 -2.638 18219
2598 1 5 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.060 1.223 18219
2599 1 5 . 1 1 107 107 LEU CB C 98 42.362 42.362 41.853 0.509 18219
2600 1 5 . 1 1 107 107 LEU H H 98 7.688 7.688 7.909 -0.221 18219
2601 1 6 . 1 1 11 11 ASP N N 2 120.536 120.536 123.167 -2.631 18219
2602 1 6 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.046 1.872 18219
2603 1 6 . 1 1 11 11 ASP CB C 2 37.959 37.959 42.489 -4.530 18219
2604 1 6 . 1 1 11 11 ASP H H 2 7.863 7.863 8.436 -0.573 18219
2605 1 6 . 1 1 12 12 LEU N N 3 121.414 121.414 123.776 -2.362 18219
2606 1 6 . 1 1 12 12 LEU C C 3 176.162 176.162 178.440 -2.278 18219
2607 1 6 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.395 2.205 18219
2608 1 6 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.413 -0.755 18219
2609 1 6 . 1 1 12 12 LEU H H 3 8.285 8.285 8.370 -0.085 18219
2610 1 6 . 1 1 13 13 ILE N N 4 118.854 118.854 120.075 -1.221 18219
2611 1 6 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.917 -0.177 18219
2612 1 6 . 1 1 13 13 ILE C C 4 175.228 175.228 176.671 -1.443 18219
2613 1 6 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.121 1.379 18219
2614 1 6 . 1 1 13 13 ILE CB C 4 37.102 37.102 37.992 -0.890 18219
2615 1 6 . 1 1 13 13 ILE H H 4 8.031 8.031 7.774 0.257 18219
2616 1 6 . 1 1 14 14 GLY N N 5 107.478 107.478 107.185 0.293 18219
2617 1 6 . 1 1 14 14 GLY C C 5 174.424 174.424 174.465 -0.041 18219
2618 1 6 . 1 1 14 14 GLY CA C 5 47.059 47.059 47.047 0.012 18219
2619 1 6 . 1 1 14 14 GLY H H 5 8.148 8.148 8.631 -0.483 18219
2620 1 6 . 1 1 15 15 PHE N N 6 122.774 122.774 119.530 3.244 18219
2621 1 6 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.755 -0.275 18219
2622 1 6 . 1 1 15 15 PHE C C 6 175.113 175.113 177.111 -1.998 18219
2623 1 6 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.974 0.043 18219
2624 1 6 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.575 -0.801 18219
2625 1 6 . 1 1 15 15 PHE H H 6 8.194 8.194 8.113 0.081 18219
2626 1 6 . 1 1 16 16 GLY N N 7 107.938 107.938 108.319 -0.381 18219
2627 1 6 . 1 1 16 16 GLY C C 7 171.838 171.838 175.685 -3.847 18219
2628 1 6 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.459 -0.360 18219
2629 1 6 . 1 1 16 16 GLY H H 7 8.697 8.697 8.504 0.193 18219
2630 1 6 . 1 1 17 17 TYR N N 8 121.785 121.785 122.692 -0.907 18219
2631 1 6 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.243 -0.093 18219
2632 1 6 . 1 1 17 17 TYR C C 8 174.180 174.180 177.740 -3.560 18219
2633 1 6 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.955 0.345 18219
2634 1 6 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.243 -0.284 18219
2635 1 6 . 1 1 17 17 TYR H H 8 8.710 8.710 8.313 0.397 18219
2636 1 6 . 1 1 18 18 ALA N N 9 120.233 120.233 119.950 0.283 18219
2637 1 6 . 1 1 18 18 ALA HA H 9 3.950 3.950 4.145 -0.195 18219
2638 1 6 . 1 1 18 18 ALA C C 9 178.059 178.059 179.027 -0.968 18219
2639 1 6 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.794 0.079 18219
2640 1 6 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.489 0.073 18219
2641 1 6 . 1 1 18 18 ALA H H 9 7.843 7.843 8.759 -0.916 18219
2642 1 6 . 1 1 19 19 ALA N N 10 121.797 121.797 122.956 -1.159 18219
2643 1 6 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.026 -0.076 18219
2644 1 6 . 1 1 19 19 ALA C C 10 176.191 176.191 179.386 -3.195 18219
2645 1 6 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.907 -0.307 18219
2646 1 6 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.212 -0.650 18219
2647 1 6 . 1 1 19 19 ALA H H 10 8.212 8.212 7.451 0.761 18219
2648 1 6 . 1 1 20 20 LEU N N 11 119.442 119.442 117.631 1.811 18219
2649 1 6 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.992 -0.055 18219
2650 1 6 . 1 1 20 20 LEU C C 11 176.694 176.694 178.867 -2.173 18219
2651 1 6 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.886 -0.086 18219
2652 1 6 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.075 0.147 18219
2653 1 6 . 1 1 20 20 LEU H H 11 8.065 8.065 7.579 0.486 18219
2654 1 6 . 1 1 21 21 VAL N N 12 118.323 118.323 120.283 -1.960 18219
2655 1 6 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.609 0.031 18219
2656 1 6 . 1 1 21 21 VAL C C 12 176.536 176.536 178.563 -2.027 18219
2657 1 6 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.141 -1.741 18219
2658 1 6 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.874 0.261 18219
2659 1 6 . 1 1 21 21 VAL H H 12 8.051 8.051 8.424 -0.373 18219
2660 1 6 . 1 1 22 22 THR N N 13 118.298 118.298 116.647 1.651 18219
2661 1 6 . 1 1 22 22 THR HA H 13 4.660 4.660 4.057 0.603 18219
2662 1 6 . 1 1 22 22 THR C C 13 173.734 173.734 176.580 -2.846 18219
2663 1 6 . 1 1 22 22 THR CA C 13 66.300 66.300 66.682 -0.382 18219
2664 1 6 . 1 1 22 22 THR CB C 13 67.775 67.775 68.477 -0.702 18219
2665 1 6 . 1 1 22 22 THR H H 13 7.944 7.944 8.130 -0.186 18219
2666 1 6 . 1 1 23 23 PHE N N 14 121.328 121.328 122.442 -1.114 18219
2667 1 6 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.237 0.103 18219
2668 1 6 . 1 1 23 23 PHE C C 14 174.783 174.783 177.243 -2.460 18219
2669 1 6 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.712 -1.212 18219
2670 1 6 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.898 -0.272 18219
2671 1 6 . 1 1 23 23 PHE H H 14 8.567 8.567 8.417 0.150 18219
2672 1 6 . 1 1 24 24 GLY N N 15 106.871 106.871 105.185 1.686 18219
2673 1 6 . 1 1 24 24 GLY C C 15 172.858 172.858 176.738 -3.880 18219
2674 1 6 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.334 -0.434 18219
2675 1 6 . 1 1 24 24 GLY H H 15 8.475 8.475 8.930 -0.455 18219
2676 1 6 . 1 1 25 25 SER N N 16 116.214 116.214 117.039 -0.825 18219
2677 1 6 . 1 1 25 25 SER HA H 16 4.280 4.280 4.282 -0.002 18219
2678 1 6 . 1 1 25 25 SER CA C 16 60.300 60.300 61.666 -1.366 18219
2679 1 6 . 1 1 25 25 SER CB C 16 62.879 62.879 63.337 -0.458 18219
2680 1 6 . 1 1 25 25 SER H H 16 7.963 7.963 7.934 0.029 18219
2681 1 6 . 1 1 26 26 ILE N N 17 121.024 121.024 121.643 -0.619 18219
2682 1 6 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.776 0.170 18219
2683 1 6 . 1 1 26 26 ILE C C 17 173.935 173.935 178.174 -4.239 18219
2684 1 6 . 1 1 26 26 ILE CA C 17 63.100 63.100 63.353 -0.254 18219
2685 1 6 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.422 0.685 18219
2686 1 6 . 1 1 26 26 ILE H H 17 7.676 7.676 7.897 -0.221 18219
2687 1 6 . 1 1 27 27 PHE N N 18 117.142 117.142 119.020 -1.878 18219
2688 1 6 . 1 1 27 27 PHE HA H 18 4.430 4.430 3.983 0.447 18219
2689 1 6 . 1 1 27 27 PHE C C 18 173.504 173.504 176.570 -3.066 18219
2690 1 6 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.608 -2.108 18219
2691 1 6 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.148 -0.374 18219
2692 1 6 . 1 1 27 27 PHE H H 18 7.703 7.703 8.147 -0.444 18219
2693 1 6 . 1 1 28 28 GLY N N 19 107.303 107.303 106.697 0.606 18219
2694 1 6 . 1 1 28 28 GLY C C 19 171.593 171.593 173.544 -1.951 18219
2695 1 6 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.252 0.348 18219
2696 1 6 . 1 1 28 28 GLY H H 19 7.722 7.722 7.843 -0.121 18219
2697 1 6 . 1 1 29 29 TYR N N 20 119.862 119.862 118.092 1.770 18219
2698 1 6 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.118 0.274 18219
2699 1 6 . 1 1 29 29 TYR C C 20 173.174 173.174 174.259 -1.085 18219
2700 1 6 . 1 1 29 29 TYR CA C 20 58.500 58.500 57.714 0.786 18219
2701 1 6 . 1 1 29 29 TYR CB C 20 38.404 38.404 38.765 -0.361 18219
2702 1 6 . 1 1 29 29 TYR H H 20 7.880 7.880 8.218 -0.338 18219
2703 1 6 . 1 1 30 30 LYS N N 21 122.335 122.335 126.750 -4.415 18219
2704 1 6 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.073 0.317 18219
2705 1 6 . 1 1 30 30 LYS C C 21 173.547 173.547 176.463 -2.916 18219
2706 1 6 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.490 -1.690 18219
2707 1 6 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.773 -0.377 18219
2708 1 6 . 1 1 30 30 LYS H H 21 7.934 7.934 8.429 -0.495 18219
2709 1 6 . 1 1 31 31 ARG N N 22 120.612 120.612 123.866 -3.254 18219
2710 1 6 . 1 1 31 31 ARG C C 22 173.547 173.547 176.125 -2.578 18219
2711 1 6 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.758 -0.923 18219
2712 1 6 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.458 -0.357 18219
2713 1 6 . 1 1 31 31 ARG H H 22 7.905 7.905 8.613 -0.708 18219
2714 1 6 . 1 1 32 32 ARG N N 23 121.748 121.748 123.698 -1.950 18219
2715 1 6 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.268 0.042 18219
2716 1 6 . 1 1 32 32 ARG C C 23 173.863 173.863 176.563 -2.700 18219
2717 1 6 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.813 -2.013 18219
2718 1 6 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.698 -0.453 18219
2719 1 6 . 1 1 32 32 ARG H H 23 8.175 8.175 8.767 -0.592 18219
2720 1 6 . 1 1 33 33 GLY N N 24 109.528 109.528 103.824 5.704 18219
2721 1 6 . 1 1 33 33 GLY C C 24 171.752 171.752 174.056 -2.304 18219
2722 1 6 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.319 0.581 18219
2723 1 6 . 1 1 33 33 GLY H H 24 8.264 8.264 7.647 0.617 18219
2724 1 6 . 1 1 34 34 GLY N N 25 108.563 108.563 107.987 0.576 18219
2725 1 6 . 1 1 34 34 GLY C C 25 171.701 171.701 175.586 -3.885 18219
2726 1 6 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.861 -0.261 18219
2727 1 6 . 1 1 34 34 GLY H H 25 8.208 8.208 8.578 -0.370 18219
2728 1 6 . 1 1 35 35 VAL N N 26 121.164 121.164 121.550 -0.386 18219
2729 1 6 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.045 -0.035 18219
2730 1 6 . 1 1 35 35 VAL C C 26 175.888 175.888 175.159 0.729 18219
2731 1 6 . 1 1 35 35 VAL CA C 26 63.900 63.900 64.096 -0.196 18219
2732 1 6 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.250 -0.560 18219
2733 1 6 . 1 1 35 35 VAL H H 26 8.485 8.485 8.006 0.479 18219
2734 1 6 . 1 1 36 36 PRO C C 27 177.660 177.660 175.906 1.754 18219
2735 1 6 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.676 -0.829 18219
2736 1 6 . 1 1 37 37 SER N N 28 116.023 116.023 115.171 0.852 18219
2737 1 6 . 1 1 37 37 SER HA H 28 4.280 4.280 4.428 -0.148 18219
2738 1 6 . 1 1 37 37 SER CA C 28 61.100 61.100 60.521 0.579 18219
2739 1 6 . 1 1 37 37 SER H H 28 7.948 7.948 8.425 -0.477 18219
2740 1 6 . 1 1 38 38 LEU N N 29 124.029 124.029 120.826 3.203 18219
2741 1 6 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.105 0.065 18219
2742 1 6 . 1 1 38 38 LEU C C 29 176.132 176.132 178.649 -2.517 18219
2743 1 6 . 1 1 38 38 LEU CA C 29 57.500 57.500 57.851 -0.351 18219
2744 1 6 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.325 1.713 18219
2745 1 6 . 1 1 38 38 LEU H H 29 8.201 8.201 7.915 0.286 18219
2746 1 6 . 1 1 39 39 ILE N N 30 117.098 117.098 119.164 -2.066 18219
2747 1 6 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.843 0.527 18219
2748 1 6 . 1 1 39 39 ILE C C 30 176.478 176.478 177.914 -1.436 18219
2749 1 6 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.731 -0.652 18219
2750 1 6 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.715 0.258 18219
2751 1 6 . 1 1 39 39 ILE H H 30 7.662 7.662 8.225 -0.563 18219
2752 1 6 . 1 1 40 40 ALA N N 31 122.447 122.447 123.225 -0.778 18219
2753 1 6 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.044 -0.010 18219
2754 1 6 . 1 1 40 40 ALA C C 31 177.067 177.067 179.477 -2.410 18219
2755 1 6 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.354 0.608 18219
2756 1 6 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.221 -0.365 18219
2757 1 6 . 1 1 40 40 ALA H H 31 8.096 8.096 8.202 -0.106 18219
2758 1 6 . 1 1 41 41 GLY N N 32 104.056 104.056 107.919 -3.863 18219
2759 1 6 . 1 1 41 41 GLY C C 32 174.251 174.251 175.973 -1.722 18219
2760 1 6 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.936 -0.436 18219
2761 1 6 . 1 1 41 41 GLY H H 32 8.123 8.123 8.126 -0.003 18219
2762 1 6 . 1 1 42 42 LEU N N 33 123.250 123.250 123.214 0.036 18219
2763 1 6 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.981 -0.124 18219
2764 1 6 . 1 1 42 42 LEU C C 33 176.033 176.033 178.292 -2.259 18219
2765 1 6 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.228 -1.560 18219
2766 1 6 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.948 -0.227 18219
2767 1 6 . 1 1 42 42 LEU H H 33 7.914 7.914 8.157 -0.243 18219
2768 1 6 . 1 1 43 43 PHE N N 34 119.757 119.757 119.307 0.450 18219
2769 1 6 . 1 1 43 43 PHE HA H 34 4.200 4.200 3.985 0.215 18219
2770 1 6 . 1 1 43 43 PHE C C 34 174.374 174.374 177.376 -3.002 18219
2771 1 6 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.065 -2.189 18219
2772 1 6 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.949 -0.115 18219
2773 1 6 . 1 1 43 43 PHE H H 34 8.287 8.287 8.101 0.186 18219
2774 1 6 . 1 1 44 44 VAL N N 35 117.791 117.791 117.853 -0.062 18219
2775 1 6 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.650 -0.040 18219
2776 1 6 . 1 1 44 44 VAL C C 35 176.205 176.205 178.594 -2.389 18219
2777 1 6 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.799 -2.240 18219
2778 1 6 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.139 0.293 18219
2779 1 6 . 1 1 44 44 VAL H H 35 8.235 8.235 8.520 -0.285 18219
2780 1 6 . 1 1 45 45 GLY N N 36 108.551 108.551 107.638 0.913 18219
2781 1 6 . 1 1 45 45 GLY C C 36 173.749 173.749 175.908 -2.159 18219
2782 1 6 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.221 -1.138 18219
2783 1 6 . 1 1 45 45 GLY H H 36 8.178 8.178 8.408 -0.230 18219
2784 1 6 . 1 1 46 46 CYS N N 37 121.173 121.173 122.351 -1.178 18219
2785 1 6 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.154 0.026 18219
2786 1 6 . 1 1 46 46 CYS C C 37 173.710 173.710 176.726 -3.016 18219
2787 1 6 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.627 -1.627 18219
2788 1 6 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.815 32.468 18219
2789 1 6 . 1 1 46 46 CYS H H 37 8.253 8.253 8.262 -0.009 18219
2790 1 6 . 1 1 47 47 LEU N N 38 120.283 120.283 119.871 0.412 18219
2791 1 6 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.055 0.005 18219
2792 1 6 . 1 1 47 47 LEU C C 38 176.679 176.679 177.916 -1.237 18219
2793 1 6 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.106 -2.079 18219
2794 1 6 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.732 0.732 18219
2795 1 6 . 1 1 47 47 LEU H H 38 7.965 7.965 8.560 -0.595 18219
2796 1 6 . 1 1 48 48 ALA N N 39 122.249 122.249 122.201 0.048 18219
2797 1 6 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.050 0.092 18219
2798 1 6 . 1 1 48 48 ALA C C 39 177.915 177.915 179.728 -1.813 18219
2799 1 6 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.188 -1.471 18219
2800 1 6 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.091 -0.106 18219
2801 1 6 . 1 1 48 48 ALA H H 39 8.066 8.066 7.909 0.157 18219
2802 1 6 . 1 1 49 49 GLY N N 40 107.377 107.377 107.288 0.089 18219
2803 1 6 . 1 1 49 49 GLY C C 40 172.527 172.527 175.657 -3.130 18219
2804 1 6 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.815 -1.365 18219
2805 1 6 . 1 1 49 49 GLY H H 40 8.172 8.172 8.193 -0.021 18219
2806 1 6 . 1 1 50 50 TYR N N 41 122.409 122.409 123.348 -0.939 18219
2807 1 6 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.229 -0.430 18219
2808 1 6 . 1 1 50 50 TYR C C 41 174.208 174.208 177.857 -3.649 18219
2809 1 6 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.037 -1.792 18219
2810 1 6 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.324 -0.388 18219
2811 1 6 . 1 1 50 50 TYR H H 41 7.800 7.800 8.534 -0.734 18219
2812 1 6 . 1 1 51 51 GLY N N 42 106.935 106.935 107.119 -0.184 18219
2813 1 6 . 1 1 51 51 GLY C C 42 172.642 172.642 175.082 -2.440 18219
2814 1 6 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.378 0.887 18219
2815 1 6 . 1 1 51 51 GLY H H 42 8.199 8.199 8.006 0.193 18219
2816 1 6 . 1 1 52 52 ALA N N 43 123.018 123.018 125.025 -2.007 18219
2817 1 6 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.016 0.134 18219
2818 1 6 . 1 1 52 52 ALA C C 43 176.398 176.398 177.924 -1.526 18219
2819 1 6 . 1 1 52 52 ALA CA C 43 52.883 52.883 53.172 -0.289 18219
2820 1 6 . 1 1 52 52 ALA CB C 43 18.241 18.241 19.011 -0.770 18219
2821 1 6 . 1 1 52 52 ALA H H 43 7.758 7.758 7.617 0.141 18219
2822 1 6 . 1 1 53 53 TYR N N 44 119.664 119.664 117.112 2.552 18219
2823 1 6 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.138 0.180 18219
2824 1 6 . 1 1 53 53 TYR C C 44 174.180 174.180 175.542 -1.362 18219
2825 1 6 . 1 1 53 53 TYR CA C 44 58.593 58.593 59.215 -0.622 18219
2826 1 6 . 1 1 53 53 TYR CB C 44 38.192 38.192 37.412 0.780 18219
2827 1 6 . 1 1 53 53 TYR H H 44 7.920 7.920 7.925 -0.005 18219
2828 1 6 . 1 1 54 54 ARG N N 45 119.516 119.516 120.688 -1.172 18219
2829 1 6 . 1 1 54 54 ARG HA H 45 3.930 3.930 3.905 0.025 18219
2830 1 6 . 1 1 54 54 ARG C C 45 174.423 174.423 175.495 -1.072 18219
2831 1 6 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.910 -0.883 18219
2832 1 6 . 1 1 54 54 ARG CB C 45 30.173 30.173 28.391 1.782 18219
2833 1 6 . 1 1 54 54 ARG H H 45 7.956 7.956 8.327 -0.371 18219
2834 1 6 . 1 1 55 55 VAL N N 46 116.437 116.437 119.397 -2.960 18219
2835 1 6 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.807 0.253 18219
2836 1 6 . 1 1 55 55 VAL C C 46 173.806 173.806 176.577 -2.771 18219
2837 1 6 . 1 1 55 55 VAL CA C 46 62.300 62.300 64.360 -2.060 18219
2838 1 6 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.393 0.128 18219
2839 1 6 . 1 1 55 55 VAL H H 46 7.489 7.489 7.601 -0.112 18219
2840 1 6 . 1 1 56 56 SER N N 47 117.185 117.185 113.042 4.143 18219
2841 1 6 . 1 1 56 56 SER HA H 47 4.401 4.401 4.034 0.367 18219
2842 1 6 . 1 1 56 56 SER C C 47 172.074 172.074 174.142 -2.068 18219
2843 1 6 . 1 1 56 56 SER CA C 47 58.133 58.133 60.285 -2.152 18219
2844 1 6 . 1 1 56 56 SER CB C 47 63.468 63.468 63.500 -0.032 18219
2845 1 6 . 1 1 56 56 SER H H 47 7.728 7.728 8.317 -0.589 18219
2846 1 6 . 1 1 57 57 ASN N N 48 121.049 121.049 123.511 -2.462 18219
2847 1 6 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.683 -0.093 18219
2848 1 6 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.852 -0.252 18219
2849 1 6 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.513 0.128 18219
2850 1 6 . 1 1 57 57 ASN H H 48 8.228 8.228 8.436 -0.208 18219
2851 1 6 . 1 1 58 58 ASP N N 49 120.276 120.276 121.627 -1.351 18219
2852 1 6 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.639 -0.109 18219
2853 1 6 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.033 0.169 18219
2854 1 6 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.252 -0.878 18219
2855 1 6 . 1 1 58 58 ASP H H 49 8.192 8.192 8.529 -0.337 18219
2856 1 6 . 1 1 59 59 LYS N N 50 120.660 120.660 115.720 4.940 18219
2857 1 6 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.959 0.241 18219
2858 1 6 . 1 1 59 59 LYS C C 50 173.474 173.474 174.897 -1.423 18219
2859 1 6 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.782 -0.482 18219
2860 1 6 . 1 1 59 59 LYS CB C 50 32.034 32.034 31.425 0.609 18219
2861 1 6 . 1 1 59 59 LYS H H 50 8.003 8.003 8.383 -0.380 18219
2862 1 6 . 1 1 60 60 ARG N N 51 121.278 121.278 119.038 2.240 18219
2863 1 6 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.198 0.002 18219
2864 1 6 . 1 1 60 60 ARG C C 51 173.303 173.303 174.953 -1.650 18219
2865 1 6 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.669 -0.386 18219
2866 1 6 . 1 1 60 60 ARG CB C 51 30.238 30.238 29.314 0.924 18219
2867 1 6 . 1 1 60 60 ARG H H 51 8.091 8.091 8.099 -0.008 18219
2868 1 6 . 1 1 61 61 ASP N N 52 121.185 121.185 124.211 -3.026 18219
2869 1 6 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.809 -0.194 18219
2870 1 6 . 1 1 61 61 ASP C C 52 173.777 173.777 176.994 -3.217 18219
2871 1 6 . 1 1 61 61 ASP CA C 52 53.979 53.979 56.221 -2.242 18219
2872 1 6 . 1 1 61 61 ASP CB C 52 40.245 40.245 42.603 -2.358 18219
2873 1 6 . 1 1 61 61 ASP H H 52 8.261 8.261 8.494 -0.233 18219
2874 1 6 . 1 1 62 62 VAL N N 53 121.902 121.902 119.144 2.758 18219
2875 1 6 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.119 -0.169 18219
2876 1 6 . 1 1 62 62 VAL C C 53 173.279 173.279 177.009 -3.730 18219
2877 1 6 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.012 0.164 18219
2878 1 6 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.559 0.539 18219
2879 1 6 . 1 1 62 62 VAL H H 53 7.997 7.997 8.488 -0.491 18219
2880 1 6 . 1 1 63 63 LYS N N 54 123.522 123.522 121.798 1.724 18219
2881 1 6 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.011 0.249 18219
2882 1 6 . 1 1 63 63 LYS C C 54 174.481 174.481 178.423 -3.942 18219
2883 1 6 . 1 1 63 63 LYS CA C 54 56.347 56.347 60.222 -3.875 18219
2884 1 6 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.024 0.075 18219
2885 1 6 . 1 1 63 63 LYS H H 54 8.054 8.054 8.218 -0.164 18219
2886 1 6 . 1 1 64 64 VAL N N 55 120.647 120.647 117.946 2.701 18219
2887 1 6 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.958 -0.011 18219
2888 1 6 . 1 1 64 64 VAL C C 55 174.955 174.955 177.868 -2.913 18219
2889 1 6 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.239 -0.639 18219
2890 1 6 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.042 0.835 18219
2891 1 6 . 1 1 64 64 VAL H H 55 8.225 8.225 8.056 0.169 18219
2892 1 6 . 1 1 65 65 SER N N 56 117.785 117.785 116.716 1.069 18219
2893 1 6 . 1 1 65 65 SER HA H 56 4.390 4.390 4.168 0.222 18219
2894 1 6 . 1 1 65 65 SER C C 56 172.300 172.300 176.663 -4.363 18219
2895 1 6 . 1 1 65 65 SER CA C 56 60.000 60.000 62.002 -2.002 18219
2896 1 6 . 1 1 65 65 SER CB C 56 62.879 62.879 63.015 -0.136 18219
2897 1 6 . 1 1 65 65 SER H H 56 8.260 8.260 7.751 0.509 18219
2898 1 6 . 1 1 66 66 LEU N N 57 123.318 123.318 122.030 1.288 18219
2899 1 6 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.209 -0.119 18219
2900 1 6 . 1 1 66 66 LEU C C 57 175.932 175.932 178.159 -2.227 18219
2901 1 6 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.478 -0.976 18219
2902 1 6 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.181 -0.460 18219
2903 1 6 . 1 1 66 66 LEU H H 57 8.091 8.091 8.261 -0.170 18219
2904 1 6 . 1 1 67 67 PHE N N 58 118.020 118.020 118.744 -0.724 18219
2905 1 6 . 1 1 67 67 PHE HA H 58 4.330 4.330 3.899 0.431 18219
2906 1 6 . 1 1 67 67 PHE C C 58 174.912 174.912 177.444 -2.532 18219
2907 1 6 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.856 -1.256 18219
2908 1 6 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.771 -0.219 18219
2909 1 6 . 1 1 67 67 PHE H H 58 8.066 8.066 8.476 -0.410 18219
2910 1 6 . 1 1 68 68 THR N N 59 115.324 115.324 116.119 -0.795 18219
2911 1 6 . 1 1 68 68 THR HA H 59 4.310 4.310 4.037 0.273 18219
2912 1 6 . 1 1 68 68 THR C C 59 173.380 173.380 176.336 -2.956 18219
2913 1 6 . 1 1 68 68 THR CA C 59 66.313 66.313 67.732 -1.419 18219
2914 1 6 . 1 1 68 68 THR CB C 59 67.700 67.700 68.761 -1.061 18219
2915 1 6 . 1 1 68 68 THR H H 59 8.287 8.287 8.484 -0.197 18219
2916 1 6 . 1 1 69 69 ALA N N 60 123.621 123.621 124.898 -1.277 18219
2917 1 6 . 1 1 69 69 ALA HA H 60 4.280 4.280 3.967 0.313 18219
2918 1 6 . 1 1 69 69 ALA C C 60 176.978 176.978 179.463 -2.485 18219
2919 1 6 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.321 -0.221 18219
2920 1 6 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.358 -0.630 18219
2921 1 6 . 1 1 69 69 ALA H H 60 7.983 7.983 8.268 -0.285 18219
2922 1 6 . 1 1 70 70 PHE N N 61 118.520 118.520 117.739 0.781 18219
2923 1 6 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.167 0.093 18219
2924 1 6 . 1 1 70 70 PHE C C 61 175.369 175.369 177.572 -2.203 18219
2925 1 6 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.915 -1.736 18219
2926 1 6 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.875 -0.169 18219
2927 1 6 . 1 1 70 70 PHE H H 61 8.007 8.007 8.968 -0.961 18219
2928 1 6 . 1 1 71 71 PHE N N 62 122.314 122.314 120.350 1.964 18219
2929 1 6 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.041 -0.041 18219
2930 1 6 . 1 1 71 71 PHE C C 62 174.697 174.697 177.390 -2.693 18219
2931 1 6 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.854 -1.337 18219
2932 1 6 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.822 -0.052 18219
2933 1 6 . 1 1 71 71 PHE H H 62 8.546 8.546 8.108 0.438 18219
2934 1 6 . 1 1 72 72 LEU N N 63 119.399 119.399 119.795 -0.396 18219
2935 1 6 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.745 0.125 18219
2936 1 6 . 1 1 72 72 LEU C C 63 175.774 175.774 178.320 -2.546 18219
2937 1 6 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.594 -1.669 18219
2938 1 6 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.733 -0.526 18219
2939 1 6 . 1 1 72 72 LEU H H 63 8.396 8.396 8.713 -0.317 18219
2940 1 6 . 1 1 73 73 ALA N N 64 120.221 120.221 121.049 -0.828 18219
2941 1 6 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.791 0.169 18219
2942 1 6 . 1 1 73 73 ALA C C 64 177.267 177.267 179.381 -2.114 18219
2943 1 6 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.358 -0.758 18219
2944 1 6 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.658 0.126 18219
2945 1 6 . 1 1 73 73 ALA H H 64 8.025 8.025 7.999 0.026 18219
2946 1 6 . 1 1 74 74 THR N N 65 113.648 113.648 114.787 -1.139 18219
2947 1 6 . 1 1 74 74 THR HA H 65 3.980 3.980 3.857 0.123 18219
2948 1 6 . 1 1 74 74 THR CA C 65 66.291 66.291 66.812 -0.521 18219
2949 1 6 . 1 1 74 74 THR CB C 65 67.914 67.914 68.636 -0.722 18219
2950 1 6 . 1 1 74 74 THR H H 65 7.717 7.717 7.700 0.017 18219
2951 1 6 . 1 1 75 75 ILE N N 66 120.291 120.291 121.278 -0.987 18219
2952 1 6 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.403 0.337 18219
2953 1 6 . 1 1 75 75 ILE C C 66 174.951 174.951 178.181 -3.230 18219
2954 1 6 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.483 0.397 18219
2955 1 6 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.784 -0.618 18219
2956 1 6 . 1 1 75 75 ILE H H 66 7.738 7.738 7.756 -0.018 18219
2957 1 6 . 1 1 76 76 MET N N 67 117.618 117.618 117.823 -0.205 18219
2958 1 6 . 1 1 76 76 MET HA H 67 4.220 4.220 4.029 0.191 18219
2959 1 6 . 1 1 76 76 MET C C 67 175.142 175.142 177.556 -2.414 18219
2960 1 6 . 1 1 76 76 MET CA C 67 56.723 56.723 58.147 -1.424 18219
2961 1 6 . 1 1 76 76 MET CB C 67 31.951 31.951 33.336 -1.385 18219
2962 1 6 . 1 1 76 76 MET H H 67 7.823 7.823 8.407 -0.584 18219
2963 1 6 . 1 1 77 77 GLY N N 68 107.110 107.110 106.672 0.438 18219
2964 1 6 . 1 1 77 77 GLY C C 68 172.260 172.260 175.046 -2.786 18219
2965 1 6 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.357 0.443 18219
2966 1 6 . 1 1 77 77 GLY H H 68 7.937 7.937 8.252 -0.315 18219
2967 1 6 . 1 1 78 78 VAL N N 69 120.431 120.431 115.886 4.545 18219
2968 1 6 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.663 0.557 18219
2969 1 6 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.648 -0.748 18219
2970 1 6 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.697 -0.191 18219
2971 1 6 . 1 1 78 78 VAL H H 69 7.697 7.697 8.379 -0.682 18219
2972 1 6 . 1 1 79 79 ARG N N 70 121.420 121.420 116.346 5.074 18219
2973 1 6 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.414 -0.604 18219
2974 1 6 . 1 1 79 79 ARG CA C 70 56.400 56.400 54.635 1.765 18219
2975 1 6 . 1 1 79 79 ARG CB C 70 30.097 30.097 33.153 -3.056 18219
2976 1 6 . 1 1 79 79 ARG H H 70 7.889 7.889 7.258 0.631 18219
2977 1 6 . 1 1 80 80 PHE N N 71 119.949 119.949 120.883 -0.934 18219
2978 1 6 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.169 0.341 18219
2979 1 6 . 1 1 80 80 PHE CA C 71 58.600 58.600 60.849 -2.249 18219
2980 1 6 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.337 -0.191 18219
2981 1 6 . 1 1 80 80 PHE H H 71 8.101 8.101 8.664 -0.563 18219
2982 1 6 . 1 1 81 81 LYS N N 72 122.193 122.193 117.908 4.285 18219
2983 1 6 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.887 0.913 18219
2984 1 6 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.613 -1.291 18219
2985 1 6 . 1 1 81 81 LYS H H 72 8.090 8.090 8.167 -0.077 18219
2986 1 6 . 1 1 82 82 ARG N N 73 119.650 119.650 123.312 -3.662 18219
2987 1 6 . 1 1 82 82 ARG CA C 73 56.089 56.089 58.764 -2.675 18219
2988 1 6 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.463 -0.292 18219
2989 1 6 . 1 1 82 82 ARG H H 73 8.052 8.052 8.729 -0.677 18219
2990 1 6 . 1 1 83 83 SER N N 74 115.734 115.734 112.570 3.164 18219
2991 1 6 . 1 1 83 83 SER CA C 74 58.355 58.355 59.923 -1.568 18219
2992 1 6 . 1 1 83 83 SER CB C 74 63.404 63.404 62.673 0.731 18219
2993 1 6 . 1 1 83 83 SER H H 74 7.912 7.912 8.157 -0.245 18219
2994 1 6 . 1 1 84 84 LYS N N 75 122.370 122.370 119.928 2.442 18219
2995 1 6 . 1 1 84 84 LYS CA C 75 56.135 56.135 57.621 -1.486 18219
2996 1 6 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.425 0.750 18219
2997 1 6 . 1 1 84 84 LYS H H 75 8.067 8.067 8.565 -0.498 18219
2998 1 6 . 1 1 86 86 ILE N N 77 119.592 119.592 118.912 0.680 18219
2999 1 6 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.129 -0.319 18219
3000 1 6 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.350 3.550 18219
3001 1 6 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.531 0.614 18219
3002 1 6 . 1 1 86 86 ILE H H 77 7.837 7.837 8.060 -0.223 18219
3003 1 6 . 1 1 87 87 MET N N 78 121.645 121.645 120.030 1.615 18219
3004 1 6 . 1 1 87 87 MET CA C 78 52.982 52.982 58.562 -5.580 18219
3005 1 6 . 1 1 87 87 MET CB C 78 32.173 32.173 30.512 1.661 18219
3006 1 6 . 1 1 87 87 MET H H 78 7.950 7.950 8.493 -0.543 18219
3007 1 6 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.360 -0.220 18219
3008 1 6 . 1 1 88 88 PRO C C 79 173.921 173.921 177.444 -3.523 18219
3009 1 6 . 1 1 88 88 PRO CA C 79 62.800 62.800 64.288 -1.488 18219
3010 1 6 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.740 -0.604 18219
3011 1 6 . 1 1 89 89 ALA N N 80 124.431 124.431 119.455 4.976 18219
3012 1 6 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.895 0.505 18219
3013 1 6 . 1 1 89 89 ALA C C 80 176.234 176.234 179.572 -3.338 18219
3014 1 6 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.120 -0.820 18219
3015 1 6 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.103 1.395 18219
3016 1 6 . 1 1 89 89 ALA H H 80 8.320 8.320 8.495 -0.175 18219
3017 1 6 . 1 1 90 90 GLY N N 81 106.834 106.834 106.836 -0.002 18219
3018 1 6 . 1 1 90 90 GLY C C 81 172.398 172.398 175.912 -3.514 18219
3019 1 6 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.292 -0.692 18219
3020 1 6 . 1 1 90 90 GLY H H 81 8.458 8.458 8.584 -0.126 18219
3021 1 6 . 1 1 91 91 LEU N N 82 121.043 121.043 121.509 -0.466 18219
3022 1 6 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.061 0.139 18219
3023 1 6 . 1 1 91 91 LEU C C 82 174.783 174.783 178.623 -3.840 18219
3024 1 6 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.074 -1.774 18219
3025 1 6 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.832 0.274 18219
3026 1 6 . 1 1 91 91 LEU H H 82 7.687 7.687 8.151 -0.464 18219
3027 1 6 . 1 1 92 92 VAL N N 83 114.737 114.737 118.470 -3.733 18219
3028 1 6 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.627 0.353 18219
3029 1 6 . 1 1 92 92 VAL C C 83 173.634 173.634 177.647 -4.013 18219
3030 1 6 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.890 -4.490 18219
3031 1 6 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.346 0.239 18219
3032 1 6 . 1 1 92 92 VAL H H 83 7.602 7.602 7.825 -0.223 18219
3033 1 6 . 1 1 93 93 ALA N N 84 124.320 124.320 121.025 3.295 18219
3034 1 6 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.011 0.139 18219
3035 1 6 . 1 1 93 93 ALA C C 84 175.746 175.746 179.879 -4.133 18219
3036 1 6 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.288 -1.988 18219
3037 1 6 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.896 0.345 18219
3038 1 6 . 1 1 93 93 ALA H H 84 7.891 7.891 8.042 -0.151 18219
3039 1 6 . 1 1 94 94 GLY N N 85 106.807 106.807 107.566 -0.759 18219
3040 1 6 . 1 1 94 94 GLY C C 85 171.752 171.752 175.951 -4.199 18219
3041 1 6 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.737 -1.488 18219
3042 1 6 . 1 1 94 94 GLY H H 85 8.204 8.204 8.038 0.166 18219
3043 1 6 . 1 1 95 95 LEU N N 86 121.266 121.266 121.660 -0.394 18219
3044 1 6 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.120 0.260 18219
3045 1 6 . 1 1 95 95 LEU C C 86 173.702 173.702 179.334 -5.632 18219
3046 1 6 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.556 -2.557 18219
3047 1 6 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.327 0.971 18219
3048 1 6 . 1 1 95 95 LEU H H 86 7.718 7.718 8.084 -0.366 18219
3049 1 6 . 1 1 96 96 SER N N 87 115.658 115.658 115.607 0.051 18219
3050 1 6 . 1 1 96 96 SER HA H 87 4.370 4.370 4.103 0.267 18219
3051 1 6 . 1 1 96 96 SER C C 87 172.479 172.479 176.649 -4.170 18219
3052 1 6 . 1 1 96 96 SER CA C 87 57.200 57.200 62.089 -4.889 18219
3053 1 6 . 1 1 96 96 SER CB C 87 64.174 64.174 63.157 1.017 18219
3054 1 6 . 1 1 96 96 SER H H 87 7.659 7.659 8.092 -0.433 18219
3055 1 6 . 1 1 97 97 LEU N N 88 123.720 123.720 122.404 1.316 18219
3056 1 6 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.938 0.662 18219
3057 1 6 . 1 1 97 97 LEU C C 88 175.932 175.932 178.867 -2.935 18219
3058 1 6 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.766 -0.166 18219
3059 1 6 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.989 -0.589 18219
3060 1 6 . 1 1 97 97 LEU H H 88 8.733 8.733 8.123 0.610 18219
3061 1 6 . 1 1 98 98 MET N N 89 116.684 116.684 119.568 -2.884 18219
3062 1 6 . 1 1 98 98 MET HA H 89 4.280 4.280 4.047 0.233 18219
3063 1 6 . 1 1 98 98 MET C C 89 175.789 175.789 178.188 -2.399 18219
3064 1 6 . 1 1 98 98 MET CA C 89 56.915 56.915 59.053 -2.138 18219
3065 1 6 . 1 1 98 98 MET CB C 89 31.007 31.007 32.696 -1.688 18219
3066 1 6 . 1 1 98 98 MET H H 89 8.342 8.342 8.254 0.088 18219
3067 1 6 . 1 1 99 99 MET N N 90 119.182 119.182 117.040 2.142 18219
3068 1 6 . 1 1 99 99 MET HA H 90 4.110 4.110 4.135 -0.025 18219
3069 1 6 . 1 1 99 99 MET C C 90 175.588 175.588 178.985 -3.397 18219
3070 1 6 . 1 1 99 99 MET CA C 90 57.951 57.951 58.894 -0.943 18219
3071 1 6 . 1 1 99 99 MET CB C 90 32.226 32.226 32.125 0.101 18219
3072 1 6 . 1 1 99 99 MET H H 90 7.720 7.720 8.192 -0.472 18219
3073 1 6 . 1 1 100 100 ILE N N 91 119.077 119.077 119.667 -0.590 18219
3074 1 6 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.849 0.261 18219
3075 1 6 . 1 1 100 100 ILE C C 91 174.634 174.634 177.855 -3.221 18219
3076 1 6 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.557 -0.457 18219
3077 1 6 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.923 -0.780 18219
3078 1 6 . 1 1 100 100 ILE H H 91 7.662 7.662 8.223 -0.561 18219
3079 1 6 . 1 1 101 101 LEU N N 92 119.646 119.646 120.690 -1.044 18219
3080 1 6 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.115 0.415 18219
3081 1 6 . 1 1 101 101 LEU C C 92 175.430 175.430 178.342 -2.912 18219
3082 1 6 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.637 0.163 18219
3083 1 6 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.726 -0.968 18219
3084 1 6 . 1 1 101 101 LEU H H 92 8.142 8.142 7.908 0.234 18219
3085 1 6 . 1 1 102 102 ARG N N 93 116.394 116.394 119.449 -3.055 18219
3086 1 6 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.255 -0.115 18219
3087 1 6 . 1 1 102 102 ARG C C 93 175.961 175.961 178.550 -2.589 18219
3088 1 6 . 1 1 102 102 ARG CA C 93 59.100 59.100 59.118 -0.018 18219
3089 1 6 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.693 -1.289 18219
3090 1 6 . 1 1 102 102 ARG H H 93 7.893 7.893 8.140 -0.247 18219
3091 1 6 . 1 1 103 103 LEU N N 94 119.114 119.114 121.072 -1.958 18219
3092 1 6 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.122 -0.012 18219
3093 1 6 . 1 1 103 103 LEU C C 94 175.889 175.889 177.979 -2.090 18219
3094 1 6 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.912 -0.612 18219
3095 1 6 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.938 -0.642 18219
3096 1 6 . 1 1 103 103 LEU H H 94 7.622 7.622 8.149 -0.527 18219
3097 1 6 . 1 1 104 104 VAL N N 95 117.704 117.704 117.976 -0.272 18219
3098 1 6 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.817 -0.287 18219
3099 1 6 . 1 1 104 104 VAL C C 95 175.042 175.042 177.497 -2.455 18219
3100 1 6 . 1 1 104 104 VAL CA C 95 66.419 66.419 64.740 1.679 18219
3101 1 6 . 1 1 104 104 VAL CB C 95 31.357 31.357 32.067 -0.710 18219
3102 1 6 . 1 1 104 104 VAL H H 95 8.026 8.026 7.673 0.353 18219
3103 1 6 . 1 1 105 105 LEU N N 96 117.185 117.185 115.928 1.257 18219
3104 1 6 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.215 -0.235 18219
3105 1 6 . 1 1 105 105 LEU C C 96 176.579 176.579 178.104 -1.525 18219
3106 1 6 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.246 0.554 18219
3107 1 6 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.360 -1.409 18219
3108 1 6 . 1 1 105 105 LEU H H 96 7.893 7.893 7.464 0.429 18219
3109 1 6 . 1 1 106 106 LEU N N 97 118.471 118.471 118.926 -0.455 18219
3110 1 6 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.967 0.212 18219
3111 1 6 . 1 1 106 106 LEU C C 97 175.802 175.802 176.021 -0.219 18219
3112 1 6 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.130 1.170 18219
3113 1 6 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.509 1.083 18219
3114 1 6 . 1 1 106 106 LEU H H 97 7.545 7.545 8.131 -0.586 18219
3115 1 6 . 1 1 107 107 LEU N N 98 118.162 118.162 114.328 3.834 18219
3116 1 6 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.896 0.334 18219
3117 1 6 . 1 1 107 107 LEU C C 98 174.174 174.174 177.562 -3.388 18219
3118 1 6 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.724 0.559 18219
3119 1 6 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.546 2.816 18219
3120 1 6 . 1 1 107 107 LEU H H 98 7.688 7.688 8.294 -0.606 18219
3121 1 7 . 1 1 11 11 ASP N N 2 120.536 120.536 119.157 1.379 18219
3122 1 7 . 1 1 11 11 ASP CA C 2 55.918 55.918 56.750 -0.832 18219
3123 1 7 . 1 1 11 11 ASP CB C 2 37.959 37.959 39.897 -1.938 18219
3124 1 7 . 1 1 11 11 ASP H H 2 7.863 7.863 8.499 -0.636 18219
3125 1 7 . 1 1 12 12 LEU N N 3 121.414 121.414 120.139 1.275 18219
3126 1 7 . 1 1 12 12 LEU C C 3 176.162 176.162 179.012 -2.850 18219
3127 1 7 . 1 1 12 12 LEU CA C 3 57.600 57.600 57.273 0.327 18219
3128 1 7 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.223 -0.566 18219
3129 1 7 . 1 1 12 12 LEU H H 3 8.285 8.285 8.276 0.009 18219
3130 1 7 . 1 1 13 13 ILE N N 4 118.854 118.854 117.159 1.695 18219
3131 1 7 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.741 -0.001 18219
3132 1 7 . 1 1 13 13 ILE C C 4 175.228 175.228 177.883 -2.655 18219
3133 1 7 . 1 1 13 13 ILE CA C 4 64.500 64.500 64.043 0.457 18219
3134 1 7 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.090 -0.988 18219
3135 1 7 . 1 1 13 13 ILE H H 4 8.031 8.031 7.484 0.547 18219
3136 1 7 . 1 1 14 14 GLY N N 5 107.478 107.478 105.926 1.552 18219
3137 1 7 . 1 1 14 14 GLY C C 5 174.424 174.424 176.066 -1.642 18219
3138 1 7 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.775 0.284 18219
3139 1 7 . 1 1 14 14 GLY H H 5 8.148 8.148 8.163 -0.015 18219
3140 1 7 . 1 1 15 15 PHE N N 6 122.774 122.774 123.990 -1.216 18219
3141 1 7 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.264 0.216 18219
3142 1 7 . 1 1 15 15 PHE C C 6 175.113 175.113 177.289 -2.176 18219
3143 1 7 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.497 -1.480 18219
3144 1 7 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.440 0.334 18219
3145 1 7 . 1 1 15 15 PHE H H 6 8.194 8.194 8.517 -0.323 18219
3146 1 7 . 1 1 16 16 GLY N N 7 107.938 107.938 105.386 2.552 18219
3147 1 7 . 1 1 16 16 GLY C C 7 171.838 171.838 175.812 -3.974 18219
3148 1 7 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.587 -0.487 18219
3149 1 7 . 1 1 16 16 GLY H H 7 8.697 8.697 8.775 -0.078 18219
3150 1 7 . 1 1 17 17 TYR N N 8 121.785 121.785 124.112 -2.327 18219
3151 1 7 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.150 -0.000 18219
3152 1 7 . 1 1 17 17 TYR C C 8 174.180 174.180 177.215 -3.035 18219
3153 1 7 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.065 0.235 18219
3154 1 7 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.364 -0.405 18219
3155 1 7 . 1 1 17 17 TYR H H 8 8.710 8.710 7.472 1.238 18219
3156 1 7 . 1 1 18 18 ALA N N 9 120.233 120.233 120.360 -0.127 18219
3157 1 7 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.917 0.033 18219
3158 1 7 . 1 1 18 18 ALA C C 9 178.059 178.059 179.022 -0.963 18219
3159 1 7 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.386 0.486 18219
3160 1 7 . 1 1 18 18 ALA CB C 9 17.562 17.562 18.064 -0.502 18219
3161 1 7 . 1 1 18 18 ALA H H 9 7.843 7.843 8.362 -0.519 18219
3162 1 7 . 1 1 19 19 ALA N N 10 121.797 121.797 123.096 -1.299 18219
3163 1 7 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.931 0.019 18219
3164 1 7 . 1 1 19 19 ALA C C 10 176.191 176.191 179.442 -3.251 18219
3165 1 7 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.943 -0.343 18219
3166 1 7 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.306 -0.744 18219
3167 1 7 . 1 1 19 19 ALA H H 10 8.212 8.212 8.294 -0.082 18219
3168 1 7 . 1 1 20 20 LEU N N 11 119.442 119.442 117.412 2.030 18219
3169 1 7 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.079 -0.142 18219
3170 1 7 . 1 1 20 20 LEU C C 11 176.694 176.694 178.866 -2.172 18219
3171 1 7 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.901 -0.101 18219
3172 1 7 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.064 0.158 18219
3173 1 7 . 1 1 20 20 LEU H H 11 8.065 8.065 8.198 -0.133 18219
3174 1 7 . 1 1 21 21 VAL N N 12 118.323 118.323 120.358 -2.035 18219
3175 1 7 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.521 0.119 18219
3176 1 7 . 1 1 21 21 VAL C C 12 176.536 176.536 178.523 -1.987 18219
3177 1 7 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.022 -1.622 18219
3178 1 7 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.642 0.493 18219
3179 1 7 . 1 1 21 21 VAL H H 12 8.051 8.051 8.337 -0.286 18219
3180 1 7 . 1 1 22 22 THR N N 13 118.298 118.298 116.640 1.658 18219
3181 1 7 . 1 1 22 22 THR HA H 13 4.660 4.660 3.996 0.664 18219
3182 1 7 . 1 1 22 22 THR C C 13 173.734 173.734 176.469 -2.735 18219
3183 1 7 . 1 1 22 22 THR CA C 13 66.300 66.300 67.110 -0.810 18219
3184 1 7 . 1 1 22 22 THR CB C 13 67.775 67.775 68.618 -0.843 18219
3185 1 7 . 1 1 22 22 THR H H 13 7.944 7.944 8.177 -0.233 18219
3186 1 7 . 1 1 23 23 PHE N N 14 121.328 121.328 122.501 -1.173 18219
3187 1 7 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.214 0.126 18219
3188 1 7 . 1 1 23 23 PHE C C 14 174.783 174.783 177.348 -2.565 18219
3189 1 7 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.237 -0.737 18219
3190 1 7 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.821 -0.195 18219
3191 1 7 . 1 1 23 23 PHE H H 14 8.567 8.567 8.354 0.213 18219
3192 1 7 . 1 1 24 24 GLY N N 15 106.871 106.871 105.311 1.560 18219
3193 1 7 . 1 1 24 24 GLY C C 15 172.858 172.858 176.782 -3.924 18219
3194 1 7 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.203 -0.303 18219
3195 1 7 . 1 1 24 24 GLY H H 15 8.475 8.475 8.921 -0.446 18219
3196 1 7 . 1 1 25 25 SER N N 16 116.214 116.214 117.245 -1.031 18219
3197 1 7 . 1 1 25 25 SER HA H 16 4.280 4.280 4.296 -0.016 18219
3198 1 7 . 1 1 25 25 SER CA C 16 60.300 60.300 61.553 -1.253 18219
3199 1 7 . 1 1 25 25 SER CB C 16 62.879 62.879 63.364 -0.485 18219
3200 1 7 . 1 1 25 25 SER H H 16 7.963 7.963 7.941 0.022 18219
3201 1 7 . 1 1 26 26 ILE N N 17 121.024 121.024 121.783 -0.759 18219
3202 1 7 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.787 0.159 18219
3203 1 7 . 1 1 26 26 ILE C C 17 173.935 173.935 178.325 -4.390 18219
3204 1 7 . 1 1 26 26 ILE CA C 17 63.100 63.100 63.786 -0.686 18219
3205 1 7 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.535 0.572 18219
3206 1 7 . 1 1 26 26 ILE H H 17 7.676 7.676 8.119 -0.443 18219
3207 1 7 . 1 1 27 27 PHE N N 18 117.142 117.142 119.548 -2.406 18219
3208 1 7 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.158 0.272 18219
3209 1 7 . 1 1 27 27 PHE C C 18 173.504 173.504 176.391 -2.887 18219
3210 1 7 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.475 -1.975 18219
3211 1 7 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.559 -0.785 18219
3212 1 7 . 1 1 27 27 PHE H H 18 7.703 7.703 8.349 -0.646 18219
3213 1 7 . 1 1 28 28 GLY N N 19 107.303 107.303 106.505 0.798 18219
3214 1 7 . 1 1 28 28 GLY C C 19 171.593 171.593 174.406 -2.813 18219
3215 1 7 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.536 0.064 18219
3216 1 7 . 1 1 28 28 GLY H H 19 7.722 7.722 7.833 -0.111 18219
3217 1 7 . 1 1 29 29 TYR N N 20 119.862 119.862 117.055 2.807 18219
3218 1 7 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.212 0.180 18219
3219 1 7 . 1 1 29 29 TYR C C 20 173.174 173.174 175.253 -2.079 18219
3220 1 7 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.394 0.106 18219
3221 1 7 . 1 1 29 29 TYR CB C 20 38.404 38.404 38.086 0.318 18219
3222 1 7 . 1 1 29 29 TYR H H 20 7.880 7.880 8.615 -0.735 18219
3223 1 7 . 1 1 30 30 LYS N N 21 122.335 122.335 121.856 0.479 18219
3224 1 7 . 1 1 30 30 LYS HA H 21 4.390 4.390 3.845 0.545 18219
3225 1 7 . 1 1 30 30 LYS C C 21 173.547 173.547 176.369 -2.822 18219
3226 1 7 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.790 -0.990 18219
3227 1 7 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.023 -0.627 18219
3228 1 7 . 1 1 30 30 LYS H H 21 7.934 7.934 8.078 -0.144 18219
3229 1 7 . 1 1 31 31 ARG N N 22 120.612 120.612 119.719 0.893 18219
3230 1 7 . 1 1 31 31 ARG C C 22 173.547 173.547 176.529 -2.982 18219
3231 1 7 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.663 0.171 18219
3232 1 7 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.718 -0.618 18219
3233 1 7 . 1 1 31 31 ARG H H 22 7.905 7.905 8.357 -0.452 18219
3234 1 7 . 1 1 32 32 ARG N N 23 121.748 121.748 122.883 -1.135 18219
3235 1 7 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.385 -0.075 18219
3236 1 7 . 1 1 32 32 ARG C C 23 173.863 173.863 176.451 -2.588 18219
3237 1 7 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.105 -0.305 18219
3238 1 7 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.727 -0.482 18219
3239 1 7 . 1 1 32 32 ARG H H 23 8.175 8.175 8.726 -0.551 18219
3240 1 7 . 1 1 33 33 GLY N N 24 109.528 109.528 104.796 4.732 18219
3241 1 7 . 1 1 33 33 GLY C C 24 171.752 171.752 172.557 -0.805 18219
3242 1 7 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.634 0.266 18219
3243 1 7 . 1 1 33 33 GLY H H 24 8.264 8.264 8.254 0.010 18219
3244 1 7 . 1 1 34 34 GLY N N 25 108.563 108.563 108.186 0.377 18219
3245 1 7 . 1 1 34 34 GLY C C 25 171.701 171.701 174.923 -3.222 18219
3246 1 7 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.471 -0.871 18219
3247 1 7 . 1 1 34 34 GLY H H 25 8.208 8.208 8.072 0.136 18219
3248 1 7 . 1 1 35 35 VAL N N 26 121.164 121.164 121.717 -0.553 18219
3249 1 7 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.045 -0.035 18219
3250 1 7 . 1 1 35 35 VAL C C 26 175.888 175.888 174.798 1.090 18219
3251 1 7 . 1 1 35 35 VAL CA C 26 63.900 63.900 63.452 0.448 18219
3252 1 7 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.492 -0.802 18219
3253 1 7 . 1 1 35 35 VAL H H 26 8.485 8.485 8.073 0.412 18219
3254 1 7 . 1 1 36 36 PRO C C 27 177.660 177.660 176.250 1.410 18219
3255 1 7 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.213 -1.366 18219
3256 1 7 . 1 1 37 37 SER N N 28 116.023 116.023 118.324 -2.301 18219
3257 1 7 . 1 1 37 37 SER HA H 28 4.280 4.280 4.409 -0.129 18219
3258 1 7 . 1 1 37 37 SER CA C 28 61.100 61.100 60.239 0.861 18219
3259 1 7 . 1 1 37 37 SER H H 28 7.948 7.948 8.555 -0.607 18219
3260 1 7 . 1 1 38 38 LEU N N 29 124.029 124.029 121.268 2.761 18219
3261 1 7 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.146 0.024 18219
3262 1 7 . 1 1 38 38 LEU C C 29 176.132 176.132 178.598 -2.466 18219
3263 1 7 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.249 -0.749 18219
3264 1 7 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.562 1.476 18219
3265 1 7 . 1 1 38 38 LEU H H 29 8.201 8.201 7.667 0.534 18219
3266 1 7 . 1 1 39 39 ILE N N 30 117.098 117.098 115.104 1.994 18219
3267 1 7 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.967 0.403 18219
3268 1 7 . 1 1 39 39 ILE C C 30 176.478 176.478 177.390 -0.912 18219
3269 1 7 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.764 -0.685 18219
3270 1 7 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.486 0.487 18219
3271 1 7 . 1 1 39 39 ILE H H 30 7.662 7.662 8.056 -0.394 18219
3272 1 7 . 1 1 40 40 ALA N N 31 122.447 122.447 123.650 -1.203 18219
3273 1 7 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.132 -0.098 18219
3274 1 7 . 1 1 40 40 ALA C C 31 177.067 177.067 179.823 -2.756 18219
3275 1 7 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.444 0.519 18219
3276 1 7 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.889 -0.033 18219
3277 1 7 . 1 1 40 40 ALA H H 31 8.096 8.096 7.526 0.570 18219
3278 1 7 . 1 1 41 41 GLY N N 32 104.056 104.056 107.544 -3.488 18219
3279 1 7 . 1 1 41 41 GLY C C 32 174.251 174.251 175.987 -1.736 18219
3280 1 7 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.826 -0.326 18219
3281 1 7 . 1 1 41 41 GLY H H 32 8.123 8.123 8.203 -0.080 18219
3282 1 7 . 1 1 42 42 LEU N N 33 123.250 123.250 123.335 -0.085 18219
3283 1 7 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.990 -0.133 18219
3284 1 7 . 1 1 42 42 LEU C C 33 176.033 176.033 178.361 -2.328 18219
3285 1 7 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.270 -1.602 18219
3286 1 7 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.980 -0.259 18219
3287 1 7 . 1 1 42 42 LEU H H 33 7.914 7.914 8.495 -0.581 18219
3288 1 7 . 1 1 43 43 PHE N N 34 119.757 119.757 118.847 0.910 18219
3289 1 7 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.128 0.072 18219
3290 1 7 . 1 1 43 43 PHE C C 34 174.374 174.374 177.534 -3.160 18219
3291 1 7 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.066 -2.190 18219
3292 1 7 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.033 -0.200 18219
3293 1 7 . 1 1 43 43 PHE H H 34 8.287 8.287 8.238 0.049 18219
3294 1 7 . 1 1 44 44 VAL N N 35 117.791 117.791 118.754 -0.963 18219
3295 1 7 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.724 -0.114 18219
3296 1 7 . 1 1 44 44 VAL C C 35 176.205 176.205 178.676 -2.471 18219
3297 1 7 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.515 -1.956 18219
3298 1 7 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.921 0.511 18219
3299 1 7 . 1 1 44 44 VAL H H 35 8.235 8.235 8.353 -0.118 18219
3300 1 7 . 1 1 45 45 GLY N N 36 108.551 108.551 107.755 0.796 18219
3301 1 7 . 1 1 45 45 GLY C C 36 173.749 173.749 175.779 -2.030 18219
3302 1 7 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.219 -1.136 18219
3303 1 7 . 1 1 45 45 GLY H H 36 8.178 8.178 8.480 -0.302 18219
3304 1 7 . 1 1 46 46 CYS N N 37 121.173 121.173 122.236 -1.063 18219
3305 1 7 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.066 0.114 18219
3306 1 7 . 1 1 46 46 CYS C C 37 173.710 173.710 176.534 -2.824 18219
3307 1 7 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.900 -0.900 18219
3308 1 7 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.780 32.503 18219
3309 1 7 . 1 1 46 46 CYS H H 37 8.253 8.253 8.029 0.224 18219
3310 1 7 . 1 1 47 47 LEU N N 38 120.283 120.283 119.928 0.355 18219
3311 1 7 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.083 -0.023 18219
3312 1 7 . 1 1 47 47 LEU C C 38 176.679 176.679 178.198 -1.519 18219
3313 1 7 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.994 -1.967 18219
3314 1 7 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.931 0.533 18219
3315 1 7 . 1 1 47 47 LEU H H 38 7.965 7.965 8.406 -0.441 18219
3316 1 7 . 1 1 48 48 ALA N N 39 122.249 122.249 122.529 -0.280 18219
3317 1 7 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.981 0.161 18219
3318 1 7 . 1 1 48 48 ALA C C 39 177.915 177.915 179.524 -1.609 18219
3319 1 7 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.200 -1.483 18219
3320 1 7 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.033 -0.048 18219
3321 1 7 . 1 1 48 48 ALA H H 39 8.066 8.066 8.182 -0.116 18219
3322 1 7 . 1 1 49 49 GLY N N 40 107.377 107.377 107.393 -0.016 18219
3323 1 7 . 1 1 49 49 GLY C C 40 172.527 172.527 175.543 -3.016 18219
3324 1 7 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.629 -1.179 18219
3325 1 7 . 1 1 49 49 GLY H H 40 8.172 8.172 8.093 0.079 18219
3326 1 7 . 1 1 50 50 TYR N N 41 122.409 122.409 123.464 -1.055 18219
3327 1 7 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.063 -0.264 18219
3328 1 7 . 1 1 50 50 TYR C C 41 174.208 174.208 176.613 -2.405 18219
3329 1 7 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.455 -2.210 18219
3330 1 7 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.505 -0.569 18219
3331 1 7 . 1 1 50 50 TYR H H 41 7.800 7.800 8.344 -0.544 18219
3332 1 7 . 1 1 51 51 GLY N N 42 106.935 106.935 103.856 3.079 18219
3333 1 7 . 1 1 51 51 GLY C C 42 172.642 172.642 175.324 -2.682 18219
3334 1 7 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.346 0.919 18219
3335 1 7 . 1 1 51 51 GLY H H 42 8.199 8.199 8.108 0.091 18219
3336 1 7 . 1 1 52 52 ALA N N 43 123.018 123.018 125.862 -2.844 18219
3337 1 7 . 1 1 52 52 ALA HA H 43 4.150 4.150 3.941 0.209 18219
3338 1 7 . 1 1 52 52 ALA C C 43 176.398 176.398 178.745 -2.347 18219
3339 1 7 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.620 -1.737 18219
3340 1 7 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.239 0.002 18219
3341 1 7 . 1 1 52 52 ALA H H 43 7.758 7.758 8.151 -0.393 18219
3342 1 7 . 1 1 53 53 TYR N N 44 119.664 119.664 118.641 1.023 18219
3343 1 7 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.196 0.122 18219
3344 1 7 . 1 1 53 53 TYR C C 44 174.180 174.180 177.413 -3.233 18219
3345 1 7 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.158 -2.565 18219
3346 1 7 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.534 -0.342 18219
3347 1 7 . 1 1 53 53 TYR H H 44 7.920 7.920 8.363 -0.443 18219
3348 1 7 . 1 1 54 54 ARG N N 45 119.516 119.516 117.070 2.446 18219
3349 1 7 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.500 -0.570 18219
3350 1 7 . 1 1 54 54 ARG C C 45 174.423 174.423 177.511 -3.088 18219
3351 1 7 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.488 -0.461 18219
3352 1 7 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.267 -1.094 18219
3353 1 7 . 1 1 54 54 ARG H H 45 7.956 7.956 7.902 0.054 18219
3354 1 7 . 1 1 55 55 VAL N N 46 116.437 116.437 119.929 -3.492 18219
3355 1 7 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.981 0.079 18219
3356 1 7 . 1 1 55 55 VAL C C 46 173.806 173.806 175.457 -1.651 18219
3357 1 7 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.175 -0.875 18219
3358 1 7 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.059 -0.538 18219
3359 1 7 . 1 1 55 55 VAL H H 46 7.489 7.489 8.007 -0.518 18219
3360 1 7 . 1 1 56 56 SER N N 47 117.185 117.185 114.420 2.765 18219
3361 1 7 . 1 1 56 56 SER HA H 47 4.401 4.401 4.195 0.206 18219
3362 1 7 . 1 1 56 56 SER C C 47 172.074 172.074 175.680 -3.606 18219
3363 1 7 . 1 1 56 56 SER CA C 47 58.133 58.133 60.798 -2.665 18219
3364 1 7 . 1 1 56 56 SER CB C 47 63.468 63.468 63.204 0.264 18219
3365 1 7 . 1 1 56 56 SER H H 47 7.728 7.728 7.560 0.168 18219
3366 1 7 . 1 1 57 57 ASN N N 48 121.049 121.049 124.445 -3.396 18219
3367 1 7 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.417 0.173 18219
3368 1 7 . 1 1 57 57 ASN CA C 48 53.600 53.600 55.798 -2.198 18219
3369 1 7 . 1 1 57 57 ASN CB C 48 38.641 38.641 37.304 1.337 18219
3370 1 7 . 1 1 57 57 ASN H H 48 8.228 8.228 8.881 -0.653 18219
3371 1 7 . 1 1 58 58 ASP N N 49 120.276 120.276 123.253 -2.977 18219
3372 1 7 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.536 -0.006 18219
3373 1 7 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.984 -0.782 18219
3374 1 7 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.999 -1.625 18219
3375 1 7 . 1 1 58 58 ASP H H 49 8.192 8.192 8.159 0.033 18219
3376 1 7 . 1 1 59 59 LYS N N 50 120.660 120.660 115.872 4.788 18219
3377 1 7 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.384 -0.184 18219
3378 1 7 . 1 1 59 59 LYS C C 50 173.474 173.474 175.421 -1.947 18219
3379 1 7 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.971 0.329 18219
3380 1 7 . 1 1 59 59 LYS CB C 50 32.034 32.034 34.700 -2.666 18219
3381 1 7 . 1 1 59 59 LYS H H 50 8.003 8.003 7.593 0.410 18219
3382 1 7 . 1 1 60 60 ARG N N 51 121.278 121.278 122.506 -1.228 18219
3383 1 7 . 1 1 60 60 ARG HA H 51 4.200 4.200 3.880 0.320 18219
3384 1 7 . 1 1 60 60 ARG C C 51 173.303 173.303 176.384 -3.081 18219
3385 1 7 . 1 1 60 60 ARG CA C 51 56.283 56.283 59.540 -3.257 18219
3386 1 7 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.165 0.073 18219
3387 1 7 . 1 1 60 60 ARG H H 51 8.091 8.091 8.813 -0.722 18219
3388 1 7 . 1 1 61 61 ASP N N 52 121.185 121.185 113.067 8.118 18219
3389 1 7 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.546 0.069 18219
3390 1 7 . 1 1 61 61 ASP C C 52 173.777 173.777 176.891 -3.114 18219
3391 1 7 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.934 -1.955 18219
3392 1 7 . 1 1 61 61 ASP CB C 52 40.245 40.245 40.575 -0.330 18219
3393 1 7 . 1 1 61 61 ASP H H 52 8.261 8.261 8.245 0.016 18219
3394 1 7 . 1 1 62 62 VAL N N 53 121.902 121.902 121.718 0.184 18219
3395 1 7 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.101 -0.151 18219
3396 1 7 . 1 1 62 62 VAL C C 53 173.279 173.279 177.147 -3.868 18219
3397 1 7 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.862 -0.687 18219
3398 1 7 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.615 0.484 18219
3399 1 7 . 1 1 62 62 VAL H H 53 7.997 7.997 8.053 -0.056 18219
3400 1 7 . 1 1 63 63 LYS N N 54 123.522 123.522 121.494 2.028 18219
3401 1 7 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.102 0.158 18219
3402 1 7 . 1 1 63 63 LYS C C 54 174.481 174.481 178.266 -3.785 18219
3403 1 7 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.721 -3.374 18219
3404 1 7 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.068 0.031 18219
3405 1 7 . 1 1 63 63 LYS H H 54 8.054 8.054 8.088 -0.034 18219
3406 1 7 . 1 1 64 64 VAL N N 55 120.647 120.647 117.362 3.285 18219
3407 1 7 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.800 0.147 18219
3408 1 7 . 1 1 64 64 VAL C C 55 174.955 174.955 177.776 -2.821 18219
3409 1 7 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.239 -0.639 18219
3410 1 7 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.087 0.790 18219
3411 1 7 . 1 1 64 64 VAL H H 55 8.225 8.225 7.956 0.269 18219
3412 1 7 . 1 1 65 65 SER N N 56 117.785 117.785 116.524 1.261 18219
3413 1 7 . 1 1 65 65 SER HA H 56 4.390 4.390 4.138 0.252 18219
3414 1 7 . 1 1 65 65 SER C C 56 172.300 172.300 176.606 -4.306 18219
3415 1 7 . 1 1 65 65 SER CA C 56 60.000 60.000 62.392 -2.392 18219
3416 1 7 . 1 1 65 65 SER CB C 56 62.879 62.879 63.086 -0.207 18219
3417 1 7 . 1 1 65 65 SER H H 56 8.260 8.260 7.661 0.599 18219
3418 1 7 . 1 1 66 66 LEU N N 57 123.318 123.318 122.146 1.172 18219
3419 1 7 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.196 -0.106 18219
3420 1 7 . 1 1 66 66 LEU C C 57 175.932 175.932 178.324 -2.392 18219
3421 1 7 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.992 -0.490 18219
3422 1 7 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.267 -0.546 18219
3423 1 7 . 1 1 66 66 LEU H H 57 8.091 8.091 8.168 -0.077 18219
3424 1 7 . 1 1 67 67 PHE N N 58 118.020 118.020 119.112 -1.092 18219
3425 1 7 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.041 0.289 18219
3426 1 7 . 1 1 67 67 PHE C C 58 174.912 174.912 177.517 -2.605 18219
3427 1 7 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.799 -1.199 18219
3428 1 7 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.739 -0.187 18219
3429 1 7 . 1 1 67 67 PHE H H 58 8.066 8.066 8.773 -0.707 18219
3430 1 7 . 1 1 68 68 THR N N 59 115.324 115.324 116.272 -0.948 18219
3431 1 7 . 1 1 68 68 THR HA H 59 4.310 4.310 4.256 0.054 18219
3432 1 7 . 1 1 68 68 THR C C 59 173.380 173.380 176.362 -2.982 18219
3433 1 7 . 1 1 68 68 THR CA C 59 66.313 66.313 67.142 -0.829 18219
3434 1 7 . 1 1 68 68 THR CB C 59 67.700 67.700 68.629 -0.929 18219
3435 1 7 . 1 1 68 68 THR H H 59 8.287 8.287 8.530 -0.243 18219
3436 1 7 . 1 1 69 69 ALA N N 60 123.621 123.621 124.895 -1.274 18219
3437 1 7 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.082 0.198 18219
3438 1 7 . 1 1 69 69 ALA C C 60 176.978 176.978 179.910 -2.932 18219
3439 1 7 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.117 -0.017 18219
3440 1 7 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.244 -0.516 18219
3441 1 7 . 1 1 69 69 ALA H H 60 7.983 7.983 8.047 -0.064 18219
3442 1 7 . 1 1 70 70 PHE N N 61 118.520 118.520 118.361 0.159 18219
3443 1 7 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.211 0.049 18219
3444 1 7 . 1 1 70 70 PHE C C 61 175.369 175.369 177.310 -1.941 18219
3445 1 7 . 1 1 70 70 PHE CA C 61 60.179 60.179 60.633 -0.454 18219
3446 1 7 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.029 -0.323 18219
3447 1 7 . 1 1 70 70 PHE H H 61 8.007 8.007 8.804 -0.797 18219
3448 1 7 . 1 1 71 71 PHE N N 62 122.314 122.314 120.686 1.628 18219
3449 1 7 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.050 -0.050 18219
3450 1 7 . 1 1 71 71 PHE C C 62 174.697 174.697 177.282 -2.585 18219
3451 1 7 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.092 -1.575 18219
3452 1 7 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.994 -0.224 18219
3453 1 7 . 1 1 71 71 PHE H H 62 8.546 8.546 8.144 0.402 18219
3454 1 7 . 1 1 72 72 LEU N N 63 119.399 119.399 120.213 -0.814 18219
3455 1 7 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.683 0.187 18219
3456 1 7 . 1 1 72 72 LEU C C 63 175.774 175.774 178.362 -2.588 18219
3457 1 7 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.617 -1.692 18219
3458 1 7 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.786 -0.579 18219
3459 1 7 . 1 1 72 72 LEU H H 63 8.396 8.396 8.824 -0.428 18219
3460 1 7 . 1 1 73 73 ALA N N 64 120.221 120.221 120.253 -0.032 18219
3461 1 7 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.830 0.130 18219
3462 1 7 . 1 1 73 73 ALA C C 64 177.267 177.267 179.861 -2.594 18219
3463 1 7 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.370 -0.770 18219
3464 1 7 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.807 -0.023 18219
3465 1 7 . 1 1 73 73 ALA H H 64 8.025 8.025 8.082 -0.057 18219
3466 1 7 . 1 1 74 74 THR N N 65 113.648 113.648 114.902 -1.254 18219
3467 1 7 . 1 1 74 74 THR HA H 65 3.980 3.980 4.088 -0.108 18219
3468 1 7 . 1 1 74 74 THR CA C 65 66.291 66.291 66.381 -0.090 18219
3469 1 7 . 1 1 74 74 THR CB C 65 67.914 67.914 69.050 -1.136 18219
3470 1 7 . 1 1 74 74 THR H H 65 7.717 7.717 7.937 -0.220 18219
3471 1 7 . 1 1 75 75 ILE N N 66 120.291 120.291 121.488 -1.197 18219
3472 1 7 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.546 0.194 18219
3473 1 7 . 1 1 75 75 ILE C C 66 174.951 174.951 177.378 -2.427 18219
3474 1 7 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.048 0.832 18219
3475 1 7 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.173 -0.007 18219
3476 1 7 . 1 1 75 75 ILE H H 66 7.738 7.738 8.021 -0.283 18219
3477 1 7 . 1 1 76 76 MET N N 67 117.618 117.618 117.350 0.268 18219
3478 1 7 . 1 1 76 76 MET HA H 67 4.220 4.220 4.241 -0.021 18219
3479 1 7 . 1 1 76 76 MET C C 67 175.142 175.142 176.756 -1.614 18219
3480 1 7 . 1 1 76 76 MET CA C 67 56.723 56.723 57.896 -1.173 18219
3481 1 7 . 1 1 76 76 MET CB C 67 31.951 31.951 34.216 -2.265 18219
3482 1 7 . 1 1 76 76 MET H H 67 7.823 7.823 8.438 -0.615 18219
3483 1 7 . 1 1 77 77 GLY N N 68 107.110 107.110 104.664 2.446 18219
3484 1 7 . 1 1 77 77 GLY C C 68 172.260 172.260 174.315 -2.055 18219
3485 1 7 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.450 1.350 18219
3486 1 7 . 1 1 77 77 GLY H H 68 7.937 7.937 8.031 -0.094 18219
3487 1 7 . 1 1 78 78 VAL N N 69 120.431 120.431 119.696 0.735 18219
3488 1 7 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.935 0.285 18219
3489 1 7 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.505 -0.605 18219
3490 1 7 . 1 1 78 78 VAL CB C 69 31.506 31.506 32.116 -0.610 18219
3491 1 7 . 1 1 78 78 VAL H H 69 7.697 7.697 8.495 -0.798 18219
3492 1 7 . 1 1 79 79 ARG N N 70 121.420 121.420 120.399 1.021 18219
3493 1 7 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.373 -0.563 18219
3494 1 7 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.063 0.337 18219
3495 1 7 . 1 1 79 79 ARG CB C 70 30.097 30.097 29.750 0.347 18219
3496 1 7 . 1 1 79 79 ARG H H 70 7.889 7.889 7.892 -0.003 18219
3497 1 7 . 1 1 80 80 PHE N N 71 119.949 119.949 124.585 -4.636 18219
3498 1 7 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.671 -0.161 18219
3499 1 7 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.048 -0.448 18219
3500 1 7 . 1 1 80 80 PHE CB C 71 39.145 39.145 41.301 -2.156 18219
3501 1 7 . 1 1 80 80 PHE H H 71 8.101 8.101 8.406 -0.305 18219
3502 1 7 . 1 1 81 81 LYS N N 72 122.193 122.193 121.641 0.552 18219
3503 1 7 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.916 0.883 18219
3504 1 7 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.149 -0.827 18219
3505 1 7 . 1 1 81 81 LYS H H 72 8.090 8.090 8.215 -0.125 18219
3506 1 7 . 1 1 82 82 ARG N N 73 119.650 119.650 123.642 -3.992 18219
3507 1 7 . 1 1 82 82 ARG CA C 73 56.089 56.089 57.573 -1.484 18219
3508 1 7 . 1 1 82 82 ARG CB C 73 30.171 30.171 29.633 0.538 18219
3509 1 7 . 1 1 82 82 ARG H H 73 8.052 8.052 8.499 -0.447 18219
3510 1 7 . 1 1 83 83 SER N N 74 115.734 115.734 119.378 -3.644 18219
3511 1 7 . 1 1 83 83 SER CA C 74 58.355 58.355 58.380 -0.025 18219
3512 1 7 . 1 1 83 83 SER CB C 74 63.404 63.404 63.658 -0.254 18219
3513 1 7 . 1 1 83 83 SER H H 74 7.912 7.912 8.315 -0.403 18219
3514 1 7 . 1 1 84 84 LYS N N 75 122.370 122.370 121.696 0.674 18219
3515 1 7 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.895 -0.760 18219
3516 1 7 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.784 0.391 18219
3517 1 7 . 1 1 84 84 LYS H H 75 8.067 8.067 8.636 -0.569 18219
3518 1 7 . 1 1 86 86 ILE N N 77 119.592 119.592 118.651 0.941 18219
3519 1 7 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.082 -0.272 18219
3520 1 7 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.458 3.442 18219
3521 1 7 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.801 0.344 18219
3522 1 7 . 1 1 86 86 ILE H H 77 7.837 7.837 7.489 0.348 18219
3523 1 7 . 1 1 87 87 MET N N 78 121.645 121.645 120.025 1.620 18219
3524 1 7 . 1 1 87 87 MET CA C 78 52.982 52.982 59.477 -6.495 18219
3525 1 7 . 1 1 87 87 MET CB C 78 32.173 32.173 30.685 1.488 18219
3526 1 7 . 1 1 87 87 MET H H 78 7.950 7.950 8.200 -0.250 18219
3527 1 7 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.507 -0.367 18219
3528 1 7 . 1 1 88 88 PRO C C 79 173.921 173.921 175.834 -1.913 18219
3529 1 7 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.531 0.269 18219
3530 1 7 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.437 1.699 18219
3531 1 7 . 1 1 89 89 ALA N N 80 124.431 124.431 123.601 0.830 18219
3532 1 7 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.195 0.205 18219
3533 1 7 . 1 1 89 89 ALA C C 80 176.234 176.234 178.795 -2.561 18219
3534 1 7 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.812 -1.512 18219
3535 1 7 . 1 1 89 89 ALA CB C 80 18.498 18.498 19.237 -0.739 18219
3536 1 7 . 1 1 89 89 ALA H H 80 8.320 8.320 8.390 -0.070 18219
3537 1 7 . 1 1 90 90 GLY N N 81 106.834 106.834 106.430 0.404 18219
3538 1 7 . 1 1 90 90 GLY C C 81 172.398 172.398 175.284 -2.886 18219
3539 1 7 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.879 -1.279 18219
3540 1 7 . 1 1 90 90 GLY H H 81 8.458 8.458 8.537 -0.079 18219
3541 1 7 . 1 1 91 91 LEU N N 82 121.043 121.043 120.995 0.048 18219
3542 1 7 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.993 0.207 18219
3543 1 7 . 1 1 91 91 LEU C C 82 174.783 174.783 178.401 -3.618 18219
3544 1 7 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.045 -1.745 18219
3545 1 7 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.256 -0.150 18219
3546 1 7 . 1 1 91 91 LEU H H 82 7.687 7.687 7.389 0.298 18219
3547 1 7 . 1 1 92 92 VAL N N 83 114.737 114.737 119.025 -4.288 18219
3548 1 7 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.591 0.389 18219
3549 1 7 . 1 1 92 92 VAL C C 83 173.634 173.634 177.884 -4.250 18219
3550 1 7 . 1 1 92 92 VAL CA C 83 62.400 62.400 67.227 -4.827 18219
3551 1 7 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.458 0.127 18219
3552 1 7 . 1 1 92 92 VAL H H 83 7.602 7.602 7.809 -0.207 18219
3553 1 7 . 1 1 93 93 ALA N N 84 124.320 124.320 120.919 3.401 18219
3554 1 7 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.037 0.113 18219
3555 1 7 . 1 1 93 93 ALA C C 84 175.746 175.746 179.844 -4.098 18219
3556 1 7 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.384 -2.084 18219
3557 1 7 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.867 0.374 18219
3558 1 7 . 1 1 93 93 ALA H H 84 7.891 7.891 8.293 -0.402 18219
3559 1 7 . 1 1 94 94 GLY N N 85 106.807 106.807 107.646 -0.839 18219
3560 1 7 . 1 1 94 94 GLY C C 85 171.752 171.752 175.931 -4.179 18219
3561 1 7 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.589 -1.340 18219
3562 1 7 . 1 1 94 94 GLY H H 85 8.204 8.204 7.847 0.357 18219
3563 1 7 . 1 1 95 95 LEU N N 86 121.266 121.266 122.192 -0.926 18219
3564 1 7 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.134 0.246 18219
3565 1 7 . 1 1 95 95 LEU C C 86 173.702 173.702 179.005 -5.303 18219
3566 1 7 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.356 -2.356 18219
3567 1 7 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.198 1.100 18219
3568 1 7 . 1 1 95 95 LEU H H 86 7.718 7.718 8.044 -0.326 18219
3569 1 7 . 1 1 96 96 SER N N 87 115.658 115.658 115.896 -0.238 18219
3570 1 7 . 1 1 96 96 SER HA H 87 4.370 4.370 4.196 0.174 18219
3571 1 7 . 1 1 96 96 SER C C 87 172.479 172.479 176.662 -4.183 18219
3572 1 7 . 1 1 96 96 SER CA C 87 57.200 57.200 62.411 -5.211 18219
3573 1 7 . 1 1 96 96 SER CB C 87 64.174 64.174 63.113 1.061 18219
3574 1 7 . 1 1 96 96 SER H H 87 7.659 7.659 8.118 -0.459 18219
3575 1 7 . 1 1 97 97 LEU N N 88 123.720 123.720 122.215 1.505 18219
3576 1 7 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.063 0.537 18219
3577 1 7 . 1 1 97 97 LEU C C 88 175.932 175.932 178.928 -2.996 18219
3578 1 7 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.608 -0.008 18219
3579 1 7 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.202 0.198 18219
3580 1 7 . 1 1 97 97 LEU H H 88 8.733 8.733 8.084 0.649 18219
3581 1 7 . 1 1 98 98 MET N N 89 116.684 116.684 120.156 -3.472 18219
3582 1 7 . 1 1 98 98 MET HA H 89 4.280 4.280 4.138 0.142 18219
3583 1 7 . 1 1 98 98 MET C C 89 175.789 175.789 177.908 -2.119 18219
3584 1 7 . 1 1 98 98 MET CA C 89 56.915 56.915 59.205 -2.290 18219
3585 1 7 . 1 1 98 98 MET CB C 89 31.007 31.007 32.757 -1.750 18219
3586 1 7 . 1 1 98 98 MET H H 89 8.342 8.342 8.214 0.128 18219
3587 1 7 . 1 1 99 99 MET N N 90 119.182 119.182 117.697 1.485 18219
3588 1 7 . 1 1 99 99 MET HA H 90 4.110 4.110 4.209 -0.099 18219
3589 1 7 . 1 1 99 99 MET C C 90 175.588 175.588 178.955 -3.367 18219
3590 1 7 . 1 1 99 99 MET CA C 90 57.951 57.951 58.685 -0.734 18219
3591 1 7 . 1 1 99 99 MET CB C 90 32.226 32.226 32.018 0.208 18219
3592 1 7 . 1 1 99 99 MET H H 90 7.720 7.720 8.223 -0.503 18219
3593 1 7 . 1 1 100 100 ILE N N 91 119.077 119.077 120.187 -1.110 18219
3594 1 7 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.973 0.137 18219
3595 1 7 . 1 1 100 100 ILE C C 91 174.634 174.634 177.134 -2.500 18219
3596 1 7 . 1 1 100 100 ILE CA C 91 64.100 64.100 63.865 0.235 18219
3597 1 7 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.566 -1.423 18219
3598 1 7 . 1 1 100 100 ILE H H 91 7.662 7.662 8.312 -0.650 18219
3599 1 7 . 1 1 101 101 LEU N N 92 119.646 119.646 121.499 -1.853 18219
3600 1 7 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.949 0.581 18219
3601 1 7 . 1 1 101 101 LEU C C 92 175.430 175.430 178.563 -3.133 18219
3602 1 7 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.967 -0.167 18219
3603 1 7 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.743 -0.985 18219
3604 1 7 . 1 1 101 101 LEU H H 92 8.142 8.142 7.713 0.428 18219
3605 1 7 . 1 1 102 102 ARG N N 93 116.394 116.394 118.154 -1.760 18219
3606 1 7 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.300 -0.160 18219
3607 1 7 . 1 1 102 102 ARG C C 93 175.961 175.961 178.498 -2.537 18219
3608 1 7 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.255 0.845 18219
3609 1 7 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.502 -1.098 18219
3610 1 7 . 1 1 102 102 ARG H H 93 7.893 7.893 8.260 -0.367 18219
3611 1 7 . 1 1 103 103 LEU N N 94 119.114 119.114 121.610 -2.496 18219
3612 1 7 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.115 -0.005 18219
3613 1 7 . 1 1 103 103 LEU C C 94 175.889 175.889 177.981 -2.092 18219
3614 1 7 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.708 -0.408 18219
3615 1 7 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.895 -0.599 18219
3616 1 7 . 1 1 103 103 LEU H H 94 7.622 7.622 7.685 -0.063 18219
3617 1 7 . 1 1 104 104 VAL N N 95 117.704 117.704 117.397 0.307 18219
3618 1 7 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.760 -0.230 18219
3619 1 7 . 1 1 104 104 VAL C C 95 175.042 175.042 177.447 -2.405 18219
3620 1 7 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.095 1.324 18219
3621 1 7 . 1 1 104 104 VAL CB C 95 31.357 31.357 32.125 -0.768 18219
3622 1 7 . 1 1 104 104 VAL H H 95 8.026 8.026 8.074 -0.048 18219
3623 1 7 . 1 1 105 105 LEU N N 96 117.185 117.185 116.139 1.046 18219
3624 1 7 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.102 -0.122 18219
3625 1 7 . 1 1 105 105 LEU C C 96 176.579 176.579 178.141 -1.562 18219
3626 1 7 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.594 0.206 18219
3627 1 7 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.099 -1.149 18219
3628 1 7 . 1 1 105 105 LEU H H 96 7.893 7.893 7.663 0.230 18219
3629 1 7 . 1 1 106 106 LEU N N 97 118.471 118.471 118.115 0.356 18219
3630 1 7 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.906 0.274 18219
3631 1 7 . 1 1 106 106 LEU C C 97 175.802 175.802 176.109 -0.307 18219
3632 1 7 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.031 1.269 18219
3633 1 7 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.701 0.891 18219
3634 1 7 . 1 1 106 106 LEU H H 97 7.545 7.545 7.846 -0.301 18219
3635 1 7 . 1 1 107 107 LEU N N 98 118.162 118.162 114.243 3.919 18219
3636 1 7 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.892 0.338 18219
3637 1 7 . 1 1 107 107 LEU C C 98 174.174 174.174 177.705 -3.531 18219
3638 1 7 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.424 0.859 18219
3639 1 7 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.653 2.709 18219
3640 1 7 . 1 1 107 107 LEU H H 98 7.688 7.688 8.309 -0.621 18219
3641 1 8 . 1 1 11 11 ASP N N 2 120.536 120.536 121.164 -0.628 18219
3642 1 8 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.537 1.381 18219
3643 1 8 . 1 1 11 11 ASP CB C 2 37.959 37.959 40.944 -2.985 18219
3644 1 8 . 1 1 11 11 ASP H H 2 7.863 7.863 8.308 -0.445 18219
3645 1 8 . 1 1 12 12 LEU N N 3 121.414 121.414 122.099 -0.685 18219
3646 1 8 . 1 1 12 12 LEU C C 3 176.162 176.162 178.649 -2.487 18219
3647 1 8 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.187 2.413 18219
3648 1 8 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.566 -0.909 18219
3649 1 8 . 1 1 12 12 LEU H H 3 8.285 8.285 8.072 0.213 18219
3650 1 8 . 1 1 13 13 ILE N N 4 118.854 118.854 119.880 -1.026 18219
3651 1 8 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.845 -0.105 18219
3652 1 8 . 1 1 13 13 ILE C C 4 175.228 175.228 177.801 -2.573 18219
3653 1 8 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.082 1.418 18219
3654 1 8 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.303 -1.201 18219
3655 1 8 . 1 1 13 13 ILE H H 4 8.031 8.031 7.890 0.141 18219
3656 1 8 . 1 1 14 14 GLY N N 5 107.478 107.478 107.882 -0.404 18219
3657 1 8 . 1 1 14 14 GLY C C 5 174.424 174.424 175.953 -1.529 18219
3658 1 8 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.333 0.726 18219
3659 1 8 . 1 1 14 14 GLY H H 5 8.148 8.148 7.979 0.169 18219
3660 1 8 . 1 1 15 15 PHE N N 6 122.774 122.774 123.794 -1.020 18219
3661 1 8 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.273 0.207 18219
3662 1 8 . 1 1 15 15 PHE C C 6 175.113 175.113 177.013 -1.900 18219
3663 1 8 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.712 -1.695 18219
3664 1 8 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.488 0.286 18219
3665 1 8 . 1 1 15 15 PHE H H 6 8.194 8.194 8.225 -0.031 18219
3666 1 8 . 1 1 16 16 GLY N N 7 107.938 107.938 106.714 1.224 18219
3667 1 8 . 1 1 16 16 GLY C C 7 171.838 171.838 175.687 -3.849 18219
3668 1 8 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.658 -0.558 18219
3669 1 8 . 1 1 16 16 GLY H H 7 8.697 8.697 8.701 -0.004 18219
3670 1 8 . 1 1 17 17 TYR N N 8 121.785 121.785 123.154 -1.369 18219
3671 1 8 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.156 -0.006 18219
3672 1 8 . 1 1 17 17 TYR C C 8 174.180 174.180 177.701 -3.521 18219
3673 1 8 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.194 0.106 18219
3674 1 8 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.290 -0.331 18219
3675 1 8 . 1 1 17 17 TYR H H 8 8.710 8.710 8.430 0.280 18219
3676 1 8 . 1 1 18 18 ALA N N 9 120.233 120.233 121.002 -0.769 18219
3677 1 8 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.934 0.016 18219
3678 1 8 . 1 1 18 18 ALA C C 9 178.059 178.059 178.762 -0.703 18219
3679 1 8 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.335 0.537 18219
3680 1 8 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.831 -0.269 18219
3681 1 8 . 1 1 18 18 ALA H H 9 7.843 7.843 8.168 -0.325 18219
3682 1 8 . 1 1 19 19 ALA N N 10 121.797 121.797 122.882 -1.085 18219
3683 1 8 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.933 0.017 18219
3684 1 8 . 1 1 19 19 ALA C C 10 176.191 176.191 179.469 -3.278 18219
3685 1 8 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.837 -0.237 18219
3686 1 8 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.391 -0.829 18219
3687 1 8 . 1 1 19 19 ALA H H 10 8.212 8.212 8.282 -0.070 18219
3688 1 8 . 1 1 20 20 LEU N N 11 119.442 119.442 117.318 2.124 18219
3689 1 8 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.024 -0.087 18219
3690 1 8 . 1 1 20 20 LEU C C 11 176.694 176.694 178.793 -2.099 18219
3691 1 8 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.014 -0.214 18219
3692 1 8 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.083 0.139 18219
3693 1 8 . 1 1 20 20 LEU H H 11 8.065 8.065 8.520 -0.455 18219
3694 1 8 . 1 1 21 21 VAL N N 12 118.323 118.323 120.320 -1.997 18219
3695 1 8 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.526 0.114 18219
3696 1 8 . 1 1 21 21 VAL C C 12 176.536 176.536 178.520 -1.984 18219
3697 1 8 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.936 -1.536 18219
3698 1 8 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.704 0.431 18219
3699 1 8 . 1 1 21 21 VAL H H 12 8.051 8.051 8.241 -0.190 18219
3700 1 8 . 1 1 22 22 THR N N 13 118.298 118.298 116.491 1.807 18219
3701 1 8 . 1 1 22 22 THR HA H 13 4.660 4.660 4.041 0.619 18219
3702 1 8 . 1 1 22 22 THR C C 13 173.734 173.734 176.542 -2.808 18219
3703 1 8 . 1 1 22 22 THR CA C 13 66.300 66.300 66.806 -0.506 18219
3704 1 8 . 1 1 22 22 THR CB C 13 67.775 67.775 68.503 -0.728 18219
3705 1 8 . 1 1 22 22 THR H H 13 7.944 7.944 7.939 0.005 18219
3706 1 8 . 1 1 23 23 PHE N N 14 121.328 121.328 122.586 -1.258 18219
3707 1 8 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.248 0.092 18219
3708 1 8 . 1 1 23 23 PHE C C 14 174.783 174.783 177.317 -2.534 18219
3709 1 8 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.647 -1.147 18219
3710 1 8 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.896 -0.270 18219
3711 1 8 . 1 1 23 23 PHE H H 14 8.567 8.567 8.380 0.187 18219
3712 1 8 . 1 1 24 24 GLY N N 15 106.871 106.871 105.158 1.713 18219
3713 1 8 . 1 1 24 24 GLY C C 15 172.858 172.858 176.876 -4.018 18219
3714 1 8 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.043 -0.143 18219
3715 1 8 . 1 1 24 24 GLY H H 15 8.475 8.475 8.943 -0.468 18219
3716 1 8 . 1 1 25 25 SER N N 16 116.214 116.214 118.633 -2.419 18219
3717 1 8 . 1 1 25 25 SER HA H 16 4.280 4.280 4.294 -0.014 18219
3718 1 8 . 1 1 25 25 SER CA C 16 60.300 60.300 61.970 -1.670 18219
3719 1 8 . 1 1 25 25 SER CB C 16 62.879 62.879 63.116 -0.237 18219
3720 1 8 . 1 1 25 25 SER H H 16 7.963 7.963 7.961 0.002 18219
3721 1 8 . 1 1 26 26 ILE N N 17 121.024 121.024 121.795 -0.771 18219
3722 1 8 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.825 0.121 18219
3723 1 8 . 1 1 26 26 ILE C C 17 173.935 173.935 178.094 -4.159 18219
3724 1 8 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.086 -1.986 18219
3725 1 8 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.227 -0.120 18219
3726 1 8 . 1 1 26 26 ILE H H 17 7.676 7.676 8.001 -0.325 18219
3727 1 8 . 1 1 27 27 PHE N N 18 117.142 117.142 119.270 -2.128 18219
3728 1 8 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.043 0.387 18219
3729 1 8 . 1 1 27 27 PHE C C 18 173.504 173.504 177.027 -3.523 18219
3730 1 8 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.823 -2.323 18219
3731 1 8 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.893 -0.119 18219
3732 1 8 . 1 1 27 27 PHE H H 18 7.703 7.703 8.172 -0.469 18219
3733 1 8 . 1 1 28 28 GLY N N 19 107.303 107.303 106.510 0.793 18219
3734 1 8 . 1 1 28 28 GLY C C 19 171.593 171.593 174.830 -3.237 18219
3735 1 8 . 1 1 28 28 GLY CA C 19 45.600 45.600 46.032 -0.432 18219
3736 1 8 . 1 1 28 28 GLY H H 19 7.722 7.722 7.571 0.151 18219
3737 1 8 . 1 1 29 29 TYR N N 20 119.862 119.862 121.252 -1.390 18219
3738 1 8 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.136 0.256 18219
3739 1 8 . 1 1 29 29 TYR C C 20 173.174 173.174 175.589 -2.415 18219
3740 1 8 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.426 0.074 18219
3741 1 8 . 1 1 29 29 TYR CB C 20 38.404 38.404 38.118 0.286 18219
3742 1 8 . 1 1 29 29 TYR H H 20 7.880 7.880 7.509 0.371 18219
3743 1 8 . 1 1 30 30 LYS N N 21 122.335 122.335 123.621 -1.286 18219
3744 1 8 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.021 0.369 18219
3745 1 8 . 1 1 30 30 LYS C C 21 173.547 173.547 176.753 -3.206 18219
3746 1 8 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.522 -1.722 18219
3747 1 8 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.531 -0.134 18219
3748 1 8 . 1 1 30 30 LYS H H 21 7.934 7.934 8.279 -0.345 18219
3749 1 8 . 1 1 31 31 ARG N N 22 120.612 120.612 125.897 -5.285 18219
3750 1 8 . 1 1 31 31 ARG C C 22 173.547 173.547 175.890 -2.343 18219
3751 1 8 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.041 -0.207 18219
3752 1 8 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.447 -0.346 18219
3753 1 8 . 1 1 31 31 ARG H H 22 7.905 7.905 8.644 -0.739 18219
3754 1 8 . 1 1 32 32 ARG N N 23 121.748 121.748 120.273 1.475 18219
3755 1 8 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.296 0.014 18219
3756 1 8 . 1 1 32 32 ARG C C 23 173.863 173.863 176.381 -2.518 18219
3757 1 8 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.657 -0.857 18219
3758 1 8 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.425 -0.180 18219
3759 1 8 . 1 1 32 32 ARG H H 23 8.175 8.175 8.154 0.021 18219
3760 1 8 . 1 1 33 33 GLY N N 24 109.528 109.528 107.171 2.357 18219
3761 1 8 . 1 1 33 33 GLY C C 24 171.752 171.752 174.373 -2.621 18219
3762 1 8 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.034 -0.134 18219
3763 1 8 . 1 1 33 33 GLY H H 24 8.264 8.264 8.106 0.158 18219
3764 1 8 . 1 1 34 34 GLY N N 25 108.563 108.563 106.771 1.792 18219
3765 1 8 . 1 1 34 34 GLY C C 25 171.701 171.701 174.116 -2.415 18219
3766 1 8 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.788 -0.188 18219
3767 1 8 . 1 1 34 34 GLY H H 25 8.208 8.208 7.936 0.272 18219
3768 1 8 . 1 1 35 35 VAL N N 26 121.164 121.164 118.746 2.418 18219
3769 1 8 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.009 0.001 18219
3770 1 8 . 1 1 35 35 VAL C C 26 175.888 175.888 175.660 0.228 18219
3771 1 8 . 1 1 35 35 VAL CA C 26 63.900 63.900 63.625 0.275 18219
3772 1 8 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.234 -0.544 18219
3773 1 8 . 1 1 35 35 VAL H H 26 8.485 8.485 8.010 0.475 18219
3774 1 8 . 1 1 36 36 PRO C C 27 177.660 177.660 175.702 1.958 18219
3775 1 8 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.807 -0.960 18219
3776 1 8 . 1 1 37 37 SER N N 28 116.023 116.023 112.395 3.628 18219
3777 1 8 . 1 1 37 37 SER HA H 28 4.280 4.280 4.482 -0.202 18219
3778 1 8 . 1 1 37 37 SER CA C 28 61.100 61.100 60.388 0.712 18219
3779 1 8 . 1 1 37 37 SER H H 28 7.948 7.948 8.195 -0.247 18219
3780 1 8 . 1 1 38 38 LEU N N 29 124.029 124.029 121.012 3.017 18219
3781 1 8 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.132 0.038 18219
3782 1 8 . 1 1 38 38 LEU C C 29 176.132 176.132 178.602 -2.470 18219
3783 1 8 . 1 1 38 38 LEU CA C 29 57.500 57.500 57.913 -0.413 18219
3784 1 8 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.877 1.161 18219
3785 1 8 . 1 1 38 38 LEU H H 29 8.201 8.201 7.928 0.273 18219
3786 1 8 . 1 1 39 39 ILE N N 30 117.098 117.098 119.543 -2.445 18219
3787 1 8 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.823 0.547 18219
3788 1 8 . 1 1 39 39 ILE C C 30 176.478 176.478 177.428 -0.950 18219
3789 1 8 . 1 1 39 39 ILE CA C 30 63.079 63.079 62.825 0.254 18219
3790 1 8 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.940 0.033 18219
3791 1 8 . 1 1 39 39 ILE H H 30 7.662 7.662 8.125 -0.463 18219
3792 1 8 . 1 1 40 40 ALA N N 31 122.447 122.447 122.018 0.429 18219
3793 1 8 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.018 0.016 18219
3794 1 8 . 1 1 40 40 ALA C C 31 177.067 177.067 179.858 -2.791 18219
3795 1 8 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.517 0.445 18219
3796 1 8 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.793 0.063 18219
3797 1 8 . 1 1 40 40 ALA H H 31 8.096 8.096 7.308 0.788 18219
3798 1 8 . 1 1 41 41 GLY N N 32 104.056 104.056 107.521 -3.465 18219
3799 1 8 . 1 1 41 41 GLY C C 32 174.251 174.251 175.987 -1.736 18219
3800 1 8 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.965 -0.465 18219
3801 1 8 . 1 1 41 41 GLY H H 32 8.123 8.123 8.130 -0.007 18219
3802 1 8 . 1 1 42 42 LEU N N 33 123.250 123.250 122.738 0.512 18219
3803 1 8 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.000 -0.143 18219
3804 1 8 . 1 1 42 42 LEU C C 33 176.033 176.033 178.279 -2.246 18219
3805 1 8 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.940 -1.272 18219
3806 1 8 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.066 -0.345 18219
3807 1 8 . 1 1 42 42 LEU H H 33 7.914 7.914 8.136 -0.222 18219
3808 1 8 . 1 1 43 43 PHE N N 34 119.757 119.757 119.517 0.240 18219
3809 1 8 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.076 0.124 18219
3810 1 8 . 1 1 43 43 PHE C C 34 174.374 174.374 177.390 -3.016 18219
3811 1 8 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.436 -2.560 18219
3812 1 8 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.148 -0.314 18219
3813 1 8 . 1 1 43 43 PHE H H 34 8.287 8.287 8.252 0.035 18219
3814 1 8 . 1 1 44 44 VAL N N 35 117.791 117.791 118.181 -0.390 18219
3815 1 8 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.680 -0.070 18219
3816 1 8 . 1 1 44 44 VAL C C 35 176.205 176.205 178.641 -2.436 18219
3817 1 8 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.162 -2.603 18219
3818 1 8 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.946 0.486 18219
3819 1 8 . 1 1 44 44 VAL H H 35 8.235 8.235 8.505 -0.270 18219
3820 1 8 . 1 1 45 45 GLY N N 36 108.551 108.551 107.216 1.335 18219
3821 1 8 . 1 1 45 45 GLY C C 36 173.749 173.749 175.722 -1.973 18219
3822 1 8 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.070 -0.987 18219
3823 1 8 . 1 1 45 45 GLY H H 36 8.178 8.178 8.314 -0.136 18219
3824 1 8 . 1 1 46 46 CYS N N 37 121.173 121.173 122.444 -1.271 18219
3825 1 8 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.010 0.170 18219
3826 1 8 . 1 1 46 46 CYS C C 37 173.710 173.710 176.597 -2.887 18219
3827 1 8 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.844 -0.844 18219
3828 1 8 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.714 32.569 18219
3829 1 8 . 1 1 46 46 CYS H H 37 8.253 8.253 8.057 0.196 18219
3830 1 8 . 1 1 47 47 LEU N N 38 120.283 120.283 119.159 1.124 18219
3831 1 8 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.037 0.023 18219
3832 1 8 . 1 1 47 47 LEU C C 38 176.679 176.679 178.458 -1.779 18219
3833 1 8 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.084 -2.057 18219
3834 1 8 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.568 0.896 18219
3835 1 8 . 1 1 47 47 LEU H H 38 7.965 7.965 8.353 -0.388 18219
3836 1 8 . 1 1 48 48 ALA N N 39 122.249 122.249 122.305 -0.056 18219
3837 1 8 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.020 0.122 18219
3838 1 8 . 1 1 48 48 ALA C C 39 177.915 177.915 179.569 -1.654 18219
3839 1 8 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.068 -1.351 18219
3840 1 8 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.061 -0.076 18219
3841 1 8 . 1 1 48 48 ALA H H 39 8.066 8.066 8.094 -0.028 18219
3842 1 8 . 1 1 49 49 GLY N N 40 107.377 107.377 107.467 -0.090 18219
3843 1 8 . 1 1 49 49 GLY C C 40 172.527 172.527 175.533 -3.006 18219
3844 1 8 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.574 -1.124 18219
3845 1 8 . 1 1 49 49 GLY H H 40 8.172 8.172 8.049 0.123 18219
3846 1 8 . 1 1 50 50 TYR N N 41 122.409 122.409 123.639 -1.230 18219
3847 1 8 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.094 -0.295 18219
3848 1 8 . 1 1 50 50 TYR C C 41 174.208 174.208 177.115 -2.907 18219
3849 1 8 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.081 -1.836 18219
3850 1 8 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.458 -0.522 18219
3851 1 8 . 1 1 50 50 TYR H H 41 7.800 7.800 8.361 -0.561 18219
3852 1 8 . 1 1 51 51 GLY N N 42 106.935 106.935 104.088 2.847 18219
3853 1 8 . 1 1 51 51 GLY C C 42 172.642 172.642 175.506 -2.864 18219
3854 1 8 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.344 0.921 18219
3855 1 8 . 1 1 51 51 GLY H H 42 8.199 8.199 8.207 -0.008 18219
3856 1 8 . 1 1 52 52 ALA N N 43 123.018 123.018 126.163 -3.145 18219
3857 1 8 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.059 0.091 18219
3858 1 8 . 1 1 52 52 ALA C C 43 176.398 176.398 179.469 -3.071 18219
3859 1 8 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.141 -1.258 18219
3860 1 8 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.186 0.055 18219
3861 1 8 . 1 1 52 52 ALA H H 43 7.758 7.758 8.161 -0.403 18219
3862 1 8 . 1 1 53 53 TYR N N 44 119.664 119.664 120.051 -0.387 18219
3863 1 8 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.209 0.109 18219
3864 1 8 . 1 1 53 53 TYR C C 44 174.180 174.180 176.756 -2.576 18219
3865 1 8 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.190 -1.597 18219
3866 1 8 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.367 -0.175 18219
3867 1 8 . 1 1 53 53 TYR H H 44 7.920 7.920 8.224 -0.304 18219
3868 1 8 . 1 1 54 54 ARG N N 45 119.516 119.516 117.465 2.051 18219
3869 1 8 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.211 -0.281 18219
3870 1 8 . 1 1 54 54 ARG C C 45 174.423 174.423 175.815 -1.392 18219
3871 1 8 . 1 1 54 54 ARG CA C 45 56.027 56.027 55.913 0.114 18219
3872 1 8 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.810 -0.637 18219
3873 1 8 . 1 1 54 54 ARG H H 45 7.956 7.956 7.596 0.360 18219
3874 1 8 . 1 1 55 55 VAL N N 46 116.437 116.437 119.213 -2.776 18219
3875 1 8 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.831 0.229 18219
3876 1 8 . 1 1 55 55 VAL C C 46 173.806 173.806 175.703 -1.897 18219
3877 1 8 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.116 -0.816 18219
3878 1 8 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.591 -0.070 18219
3879 1 8 . 1 1 55 55 VAL H H 46 7.489 7.489 7.355 0.134 18219
3880 1 8 . 1 1 56 56 SER N N 47 117.185 117.185 115.423 1.762 18219
3881 1 8 . 1 1 56 56 SER HA H 47 4.401 4.401 4.114 0.287 18219
3882 1 8 . 1 1 56 56 SER C C 47 172.074 172.074 175.571 -3.497 18219
3883 1 8 . 1 1 56 56 SER CA C 47 58.133 58.133 60.489 -2.356 18219
3884 1 8 . 1 1 56 56 SER CB C 47 63.468 63.468 63.757 -0.289 18219
3885 1 8 . 1 1 56 56 SER H H 47 7.728 7.728 7.601 0.127 18219
3886 1 8 . 1 1 57 57 ASN N N 48 121.049 121.049 120.121 0.928 18219
3887 1 8 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.428 0.162 18219
3888 1 8 . 1 1 57 57 ASN CA C 48 53.600 53.600 55.659 -2.059 18219
3889 1 8 . 1 1 57 57 ASN CB C 48 38.641 38.641 37.769 0.872 18219
3890 1 8 . 1 1 57 57 ASN H H 48 8.228 8.228 8.725 -0.497 18219
3891 1 8 . 1 1 58 58 ASP N N 49 120.276 120.276 119.332 0.944 18219
3892 1 8 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.591 -0.061 18219
3893 1 8 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.332 -0.130 18219
3894 1 8 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.895 -1.521 18219
3895 1 8 . 1 1 58 58 ASP H H 49 8.192 8.192 8.536 -0.344 18219
3896 1 8 . 1 1 59 59 LYS N N 50 120.660 120.660 118.761 1.899 18219
3897 1 8 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.964 0.236 18219
3898 1 8 . 1 1 59 59 LYS C C 50 173.474 173.474 175.182 -1.708 18219
3899 1 8 . 1 1 59 59 LYS CA C 50 56.300 56.300 57.519 -1.218 18219
3900 1 8 . 1 1 59 59 LYS CB C 50 32.034 32.034 32.879 -0.845 18219
3901 1 8 . 1 1 59 59 LYS H H 50 8.003 8.003 8.045 -0.042 18219
3902 1 8 . 1 1 60 60 ARG N N 51 121.278 121.278 119.964 1.314 18219
3903 1 8 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.205 -0.005 18219
3904 1 8 . 1 1 60 60 ARG C C 51 173.303 173.303 174.797 -1.494 18219
3905 1 8 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.862 -0.579 18219
3906 1 8 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.784 -0.545 18219
3907 1 8 . 1 1 60 60 ARG H H 51 8.091 8.091 8.267 -0.176 18219
3908 1 8 . 1 1 61 61 ASP N N 52 121.185 121.185 119.546 1.639 18219
3909 1 8 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.647 -0.032 18219
3910 1 8 . 1 1 61 61 ASP C C 52 173.777 173.777 177.414 -3.637 18219
3911 1 8 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.268 -1.289 18219
3912 1 8 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.609 -1.364 18219
3913 1 8 . 1 1 61 61 ASP H H 52 8.261 8.261 8.313 -0.052 18219
3914 1 8 . 1 1 62 62 VAL N N 53 121.902 121.902 119.594 2.308 18219
3915 1 8 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.198 -0.248 18219
3916 1 8 . 1 1 62 62 VAL C C 53 173.279 173.279 177.040 -3.761 18219
3917 1 8 . 1 1 62 62 VAL CA C 53 63.176 63.176 64.093 -0.917 18219
3918 1 8 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.218 -0.119 18219
3919 1 8 . 1 1 62 62 VAL H H 53 7.997 7.997 8.073 -0.076 18219
3920 1 8 . 1 1 63 63 LYS N N 54 123.522 123.522 121.301 2.221 18219
3921 1 8 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.086 0.174 18219
3922 1 8 . 1 1 63 63 LYS C C 54 174.481 174.481 178.647 -4.166 18219
3923 1 8 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.581 -3.234 18219
3924 1 8 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.149 -0.050 18219
3925 1 8 . 1 1 63 63 LYS H H 54 8.054 8.054 8.299 -0.245 18219
3926 1 8 . 1 1 64 64 VAL N N 55 120.647 120.647 117.862 2.785 18219
3927 1 8 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.873 0.074 18219
3928 1 8 . 1 1 64 64 VAL C C 55 174.955 174.955 177.734 -2.779 18219
3929 1 8 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.464 -0.864 18219
3930 1 8 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.953 0.924 18219
3931 1 8 . 1 1 64 64 VAL H H 55 8.225 8.225 8.033 0.192 18219
3932 1 8 . 1 1 65 65 SER N N 56 117.785 117.785 116.485 1.300 18219
3933 1 8 . 1 1 65 65 SER HA H 56 4.390 4.390 4.187 0.203 18219
3934 1 8 . 1 1 65 65 SER C C 56 172.300 172.300 176.726 -4.426 18219
3935 1 8 . 1 1 65 65 SER CA C 56 60.000 60.000 62.252 -2.252 18219
3936 1 8 . 1 1 65 65 SER CB C 56 62.879 62.879 63.011 -0.132 18219
3937 1 8 . 1 1 65 65 SER H H 56 8.260 8.260 7.936 0.324 18219
3938 1 8 . 1 1 66 66 LEU N N 57 123.318 123.318 122.096 1.222 18219
3939 1 8 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.190 -0.100 18219
3940 1 8 . 1 1 66 66 LEU C C 57 175.932 175.932 178.856 -2.924 18219
3941 1 8 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.062 -0.560 18219
3942 1 8 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.114 0.607 18219
3943 1 8 . 1 1 66 66 LEU H H 57 8.091 8.091 8.348 -0.257 18219
3944 1 8 . 1 1 67 67 PHE N N 58 118.020 118.020 119.032 -1.012 18219
3945 1 8 . 1 1 67 67 PHE HA H 58 4.330 4.330 3.972 0.358 18219
3946 1 8 . 1 1 67 67 PHE C C 58 174.912 174.912 177.864 -2.952 18219
3947 1 8 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.881 -1.281 18219
3948 1 8 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.837 -0.285 18219
3949 1 8 . 1 1 67 67 PHE H H 58 8.066 8.066 8.566 -0.500 18219
3950 1 8 . 1 1 68 68 THR N N 59 115.324 115.324 115.878 -0.554 18219
3951 1 8 . 1 1 68 68 THR HA H 59 4.310 4.310 3.936 0.374 18219
3952 1 8 . 1 1 68 68 THR C C 59 173.380 173.380 176.301 -2.921 18219
3953 1 8 . 1 1 68 68 THR CA C 59 66.313 66.313 67.561 -1.248 18219
3954 1 8 . 1 1 68 68 THR CB C 59 67.700 67.700 68.922 -1.222 18219
3955 1 8 . 1 1 68 68 THR H H 59 8.287 8.287 8.439 -0.152 18219
3956 1 8 . 1 1 69 69 ALA N N 60 123.621 123.621 124.571 -0.950 18219
3957 1 8 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.072 0.208 18219
3958 1 8 . 1 1 69 69 ALA C C 60 176.978 176.978 179.837 -2.859 18219
3959 1 8 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.111 -0.011 18219
3960 1 8 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.261 -0.533 18219
3961 1 8 . 1 1 69 69 ALA H H 60 7.983 7.983 8.215 -0.232 18219
3962 1 8 . 1 1 70 70 PHE N N 61 118.520 118.520 117.492 1.028 18219
3963 1 8 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.186 0.074 18219
3964 1 8 . 1 1 70 70 PHE C C 61 175.369 175.369 177.440 -2.071 18219
3965 1 8 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.857 -1.678 18219
3966 1 8 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.241 -0.535 18219
3967 1 8 . 1 1 70 70 PHE H H 61 8.007 8.007 8.867 -0.860 18219
3968 1 8 . 1 1 71 71 PHE N N 62 122.314 122.314 120.671 1.643 18219
3969 1 8 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.152 -0.152 18219
3970 1 8 . 1 1 71 71 PHE C C 62 174.697 174.697 177.346 -2.649 18219
3971 1 8 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.758 -1.240 18219
3972 1 8 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.951 -0.181 18219
3973 1 8 . 1 1 71 71 PHE H H 62 8.546 8.546 7.612 0.934 18219
3974 1 8 . 1 1 72 72 LEU N N 63 119.399 119.399 119.349 0.050 18219
3975 1 8 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.888 -0.018 18219
3976 1 8 . 1 1 72 72 LEU C C 63 175.774 175.774 179.244 -3.470 18219
3977 1 8 . 1 1 72 72 LEU CA C 63 56.925 56.925 57.858 -0.933 18219
3978 1 8 . 1 1 72 72 LEU CB C 63 41.207 41.207 40.608 0.599 18219
3979 1 8 . 1 1 72 72 LEU H H 63 8.396 8.396 8.787 -0.391 18219
3980 1 8 . 1 1 73 73 ALA N N 64 120.221 120.221 121.530 -1.309 18219
3981 1 8 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.862 0.098 18219
3982 1 8 . 1 1 73 73 ALA C C 64 177.267 177.267 179.461 -2.194 18219
3983 1 8 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.565 -0.965 18219
3984 1 8 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.941 -0.157 18219
3985 1 8 . 1 1 73 73 ALA H H 64 8.025 8.025 8.161 -0.136 18219
3986 1 8 . 1 1 74 74 THR N N 65 113.648 113.648 115.688 -2.040 18219
3987 1 8 . 1 1 74 74 THR HA H 65 3.980 3.980 3.824 0.156 18219
3988 1 8 . 1 1 74 74 THR CA C 65 66.291 66.291 66.180 0.111 18219
3989 1 8 . 1 1 74 74 THR CB C 65 67.914 67.914 68.593 -0.679 18219
3990 1 8 . 1 1 74 74 THR H H 65 7.717 7.717 7.626 0.091 18219
3991 1 8 . 1 1 75 75 ILE N N 66 120.291 120.291 120.697 -0.406 18219
3992 1 8 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.452 0.288 18219
3993 1 8 . 1 1 75 75 ILE C C 66 174.951 174.951 178.430 -3.479 18219
3994 1 8 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.649 0.231 18219
3995 1 8 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.770 -0.604 18219
3996 1 8 . 1 1 75 75 ILE H H 66 7.738 7.738 8.146 -0.408 18219
3997 1 8 . 1 1 76 76 MET N N 67 117.618 117.618 117.327 0.291 18219
3998 1 8 . 1 1 76 76 MET HA H 67 4.220 4.220 3.961 0.259 18219
3999 1 8 . 1 1 76 76 MET C C 67 175.142 175.142 177.750 -2.608 18219
4000 1 8 . 1 1 76 76 MET CA C 67 56.723 56.723 57.854 -1.131 18219
4001 1 8 . 1 1 76 76 MET CB C 67 31.951 31.951 32.959 -1.008 18219
4002 1 8 . 1 1 76 76 MET H H 67 7.823 7.823 8.099 -0.276 18219
4003 1 8 . 1 1 77 77 GLY N N 68 107.110 107.110 105.759 1.351 18219
4004 1 8 . 1 1 77 77 GLY C C 68 172.260 172.260 175.378 -3.118 18219
4005 1 8 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.709 0.091 18219
4006 1 8 . 1 1 77 77 GLY H H 68 7.937 7.937 8.172 -0.235 18219
4007 1 8 . 1 1 78 78 VAL N N 69 120.431 120.431 117.249 3.182 18219
4008 1 8 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.631 0.589 18219
4009 1 8 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.939 -1.039 18219
4010 1 8 . 1 1 78 78 VAL CB C 69 31.506 31.506 32.028 -0.522 18219
4011 1 8 . 1 1 78 78 VAL H H 69 7.697 7.697 8.343 -0.646 18219
4012 1 8 . 1 1 79 79 ARG N N 70 121.420 121.420 115.801 5.619 18219
4013 1 8 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.411 -0.601 18219
4014 1 8 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.054 1.346 18219
4015 1 8 . 1 1 79 79 ARG CB C 70 30.097 30.097 32.684 -2.587 18219
4016 1 8 . 1 1 79 79 ARG H H 70 7.889 7.889 7.581 0.308 18219
4017 1 8 . 1 1 80 80 PHE N N 71 119.949 119.949 122.393 -2.444 18219
4018 1 8 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.587 -0.077 18219
4019 1 8 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.545 0.055 18219
4020 1 8 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.006 0.139 18219
4021 1 8 . 1 1 80 80 PHE H H 71 8.101 8.101 8.672 -0.571 18219
4022 1 8 . 1 1 81 81 LYS N N 72 122.193 122.193 126.511 -4.318 18219
4023 1 8 . 1 1 81 81 LYS CA C 72 56.800 56.800 54.893 1.907 18219
4024 1 8 . 1 1 81 81 LYS CB C 72 32.322 32.322 35.274 -2.952 18219
4025 1 8 . 1 1 81 81 LYS H H 72 8.090 8.090 8.070 0.020 18219
4026 1 8 . 1 1 82 82 ARG N N 73 119.650 119.650 121.219 -1.569 18219
4027 1 8 . 1 1 82 82 ARG CA C 73 56.089 56.089 58.298 -2.209 18219
4028 1 8 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.512 -0.341 18219
4029 1 8 . 1 1 82 82 ARG H H 73 8.052 8.052 8.489 -0.437 18219
4030 1 8 . 1 1 83 83 SER N N 74 115.734 115.734 110.294 5.440 18219
4031 1 8 . 1 1 83 83 SER CA C 74 58.355 58.355 57.729 0.626 18219
4032 1 8 . 1 1 83 83 SER CB C 74 63.404 63.404 64.623 -1.219 18219
4033 1 8 . 1 1 83 83 SER H H 74 7.912 7.912 7.764 0.148 18219
4034 1 8 . 1 1 84 84 LYS N N 75 122.370 122.370 127.347 -4.977 18219
4035 1 8 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.053 0.082 18219
4036 1 8 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.232 0.943 18219
4037 1 8 . 1 1 84 84 LYS H H 75 8.067 8.067 8.565 -0.498 18219
4038 1 8 . 1 1 86 86 ILE N N 77 119.592 119.592 118.784 0.808 18219
4039 1 8 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.124 -0.314 18219
4040 1 8 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.480 3.421 18219
4041 1 8 . 1 1 86 86 ILE CB C 77 39.145 39.145 40.014 -0.869 18219
4042 1 8 . 1 1 86 86 ILE H H 77 7.837 7.837 7.346 0.491 18219
4043 1 8 . 1 1 87 87 MET N N 78 121.645 121.645 119.773 1.872 18219
4044 1 8 . 1 1 87 87 MET CA C 78 52.982 52.982 59.736 -6.754 18219
4045 1 8 . 1 1 87 87 MET CB C 78 32.173 32.173 30.468 1.706 18219
4046 1 8 . 1 1 87 87 MET H H 78 7.950 7.950 8.341 -0.391 18219
4047 1 8 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.539 -0.399 18219
4048 1 8 . 1 1 88 88 PRO C C 79 173.921 173.921 176.110 -2.189 18219
4049 1 8 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.441 0.359 18219
4050 1 8 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.386 1.750 18219
4051 1 8 . 1 1 89 89 ALA N N 80 124.431 124.431 124.725 -0.294 18219
4052 1 8 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.989 0.411 18219
4053 1 8 . 1 1 89 89 ALA C C 80 176.234 176.234 179.092 -2.858 18219
4054 1 8 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.746 -2.446 18219
4055 1 8 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.581 -0.083 18219
4056 1 8 . 1 1 89 89 ALA H H 80 8.320 8.320 8.414 -0.094 18219
4057 1 8 . 1 1 90 90 GLY N N 81 106.834 106.834 105.891 0.943 18219
4058 1 8 . 1 1 90 90 GLY C C 81 172.398 172.398 175.605 -3.207 18219
4059 1 8 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.856 -1.256 18219
4060 1 8 . 1 1 90 90 GLY H H 81 8.458 8.458 8.665 -0.207 18219
4061 1 8 . 1 1 91 91 LEU N N 82 121.043 121.043 122.117 -1.074 18219
4062 1 8 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.005 0.195 18219
4063 1 8 . 1 1 91 91 LEU C C 82 174.783 174.783 178.830 -4.047 18219
4064 1 8 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.720 -1.420 18219
4065 1 8 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.147 -0.041 18219
4066 1 8 . 1 1 91 91 LEU H H 82 7.687 7.687 7.556 0.131 18219
4067 1 8 . 1 1 92 92 VAL N N 83 114.737 114.737 119.186 -4.449 18219
4068 1 8 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.474 0.506 18219
4069 1 8 . 1 1 92 92 VAL C C 83 173.634 173.634 177.681 -4.047 18219
4070 1 8 . 1 1 92 92 VAL CA C 83 62.400 62.400 67.214 -4.814 18219
4071 1 8 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.392 0.193 18219
4072 1 8 . 1 1 92 92 VAL H H 83 7.602 7.602 7.935 -0.333 18219
4073 1 8 . 1 1 93 93 ALA N N 84 124.320 124.320 120.683 3.637 18219
4074 1 8 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.951 0.199 18219
4075 1 8 . 1 1 93 93 ALA C C 84 175.746 175.746 179.897 -4.151 18219
4076 1 8 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.353 -2.053 18219
4077 1 8 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.936 0.305 18219
4078 1 8 . 1 1 93 93 ALA H H 84 7.891 7.891 8.117 -0.226 18219
4079 1 8 . 1 1 94 94 GLY N N 85 106.807 106.807 106.733 0.074 18219
4080 1 8 . 1 1 94 94 GLY C C 85 171.752 171.752 175.874 -4.122 18219
4081 1 8 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.496 -1.247 18219
4082 1 8 . 1 1 94 94 GLY H H 85 8.204 8.204 8.262 -0.058 18219
4083 1 8 . 1 1 95 95 LEU N N 86 121.266 121.266 122.409 -1.143 18219
4084 1 8 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.152 0.228 18219
4085 1 8 . 1 1 95 95 LEU C C 86 173.702 173.702 178.812 -5.110 18219
4086 1 8 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.444 -2.444 18219
4087 1 8 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.431 0.867 18219
4088 1 8 . 1 1 95 95 LEU H H 86 7.718 7.718 8.040 -0.322 18219
4089 1 8 . 1 1 96 96 SER N N 87 115.658 115.658 115.095 0.563 18219
4090 1 8 . 1 1 96 96 SER HA H 87 4.370 4.370 4.217 0.153 18219
4091 1 8 . 1 1 96 96 SER C C 87 172.479 172.479 176.504 -4.025 18219
4092 1 8 . 1 1 96 96 SER CA C 87 57.200 57.200 62.118 -4.918 18219
4093 1 8 . 1 1 96 96 SER CB C 87 64.174 64.174 63.216 0.958 18219
4094 1 8 . 1 1 96 96 SER H H 87 7.659 7.659 8.420 -0.761 18219
4095 1 8 . 1 1 97 97 LEU N N 88 123.720 123.720 122.218 1.502 18219
4096 1 8 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.921 0.679 18219
4097 1 8 . 1 1 97 97 LEU C C 88 175.932 175.932 178.620 -2.688 18219
4098 1 8 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.413 -0.813 18219
4099 1 8 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.024 -0.624 18219
4100 1 8 . 1 1 97 97 LEU H H 88 8.733 8.733 8.107 0.626 18219
4101 1 8 . 1 1 98 98 MET N N 89 116.684 116.684 118.944 -2.260 18219
4102 1 8 . 1 1 98 98 MET HA H 89 4.280 4.280 4.123 0.157 18219
4103 1 8 . 1 1 98 98 MET C C 89 175.789 175.789 178.031 -2.242 18219
4104 1 8 . 1 1 98 98 MET CA C 89 56.915 56.915 58.798 -1.883 18219
4105 1 8 . 1 1 98 98 MET CB C 89 31.007 31.007 32.744 -1.737 18219
4106 1 8 . 1 1 98 98 MET H H 89 8.342 8.342 8.346 -0.004 18219
4107 1 8 . 1 1 99 99 MET N N 90 119.182 119.182 119.431 -0.249 18219
4108 1 8 . 1 1 99 99 MET HA H 90 4.110 4.110 4.131 -0.021 18219
4109 1 8 . 1 1 99 99 MET C C 90 175.588 175.588 178.655 -3.067 18219
4110 1 8 . 1 1 99 99 MET CA C 90 57.951 57.951 58.861 -0.910 18219
4111 1 8 . 1 1 99 99 MET CB C 90 32.226 32.226 32.301 -0.075 18219
4112 1 8 . 1 1 99 99 MET H H 90 7.720 7.720 8.195 -0.475 18219
4113 1 8 . 1 1 100 100 ILE N N 91 119.077 119.077 120.099 -1.022 18219
4114 1 8 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.920 0.190 18219
4115 1 8 . 1 1 100 100 ILE C C 91 174.634 174.634 177.087 -2.453 18219
4116 1 8 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.056 0.044 18219
4117 1 8 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.399 -1.256 18219
4118 1 8 . 1 1 100 100 ILE H H 91 7.662 7.662 8.258 -0.596 18219
4119 1 8 . 1 1 101 101 LEU N N 92 119.646 119.646 120.324 -0.678 18219
4120 1 8 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.021 0.509 18219
4121 1 8 . 1 1 101 101 LEU C C 92 175.430 175.430 178.478 -3.048 18219
4122 1 8 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.618 0.182 18219
4123 1 8 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.673 -0.915 18219
4124 1 8 . 1 1 101 101 LEU H H 92 8.142 8.142 7.820 0.322 18219
4125 1 8 . 1 1 102 102 ARG N N 93 116.394 116.394 118.662 -2.268 18219
4126 1 8 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.301 -0.161 18219
4127 1 8 . 1 1 102 102 ARG C C 93 175.961 175.961 178.396 -2.435 18219
4128 1 8 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.745 0.355 18219
4129 1 8 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.940 -1.536 18219
4130 1 8 . 1 1 102 102 ARG H H 93 7.893 7.893 8.140 -0.247 18219
4131 1 8 . 1 1 103 103 LEU N N 94 119.114 119.114 121.122 -2.008 18219
4132 1 8 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.173 -0.063 18219
4133 1 8 . 1 1 103 103 LEU C C 94 175.889 175.889 178.009 -2.120 18219
4134 1 8 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.484 -0.184 18219
4135 1 8 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.934 -0.638 18219
4136 1 8 . 1 1 103 103 LEU H H 94 7.622 7.622 8.001 -0.379 18219
4137 1 8 . 1 1 104 104 VAL N N 95 117.704 117.704 118.114 -0.410 18219
4138 1 8 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.794 -0.264 18219
4139 1 8 . 1 1 104 104 VAL C C 95 175.042 175.042 177.411 -2.369 18219
4140 1 8 . 1 1 104 104 VAL CA C 95 66.419 66.419 64.731 1.688 18219
4141 1 8 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.912 -0.555 18219
4142 1 8 . 1 1 104 104 VAL H H 95 8.026 8.026 8.109 -0.083 18219
4143 1 8 . 1 1 105 105 LEU N N 96 117.185 117.185 116.561 0.624 18219
4144 1 8 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.131 -0.151 18219
4145 1 8 . 1 1 105 105 LEU C C 96 176.579 176.579 177.733 -1.154 18219
4146 1 8 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.576 0.224 18219
4147 1 8 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.186 -1.235 18219
4148 1 8 . 1 1 105 105 LEU H H 96 7.893 7.893 7.593 0.300 18219
4149 1 8 . 1 1 106 106 LEU N N 97 118.471 118.471 114.477 3.994 18219
4150 1 8 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.915 0.265 18219
4151 1 8 . 1 1 106 106 LEU C C 97 175.802 175.802 176.400 -0.598 18219
4152 1 8 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.487 0.813 18219
4153 1 8 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.140 1.452 18219
4154 1 8 . 1 1 106 106 LEU H H 97 7.545 7.545 7.413 0.132 18219
4155 1 8 . 1 1 107 107 LEU N N 98 118.162 118.162 111.984 6.178 18219
4156 1 8 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.843 0.387 18219
4157 1 8 . 1 1 107 107 LEU C C 98 174.174 174.174 177.797 -3.623 18219
4158 1 8 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.656 0.627 18219
4159 1 8 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.712 2.650 18219
4160 1 8 . 1 1 107 107 LEU H H 98 7.688 7.688 8.150 -0.462 18219
4161 1 9 . 1 1 11 11 ASP N N 2 120.536 120.536 121.047 -0.511 18219
4162 1 9 . 1 1 11 11 ASP CA C 2 55.918 55.918 55.481 0.437 18219
4163 1 9 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.560 -3.601 18219
4164 1 9 . 1 1 11 11 ASP H H 2 7.863 7.863 8.397 -0.534 18219
4165 1 9 . 1 1 12 12 LEU N N 3 121.414 121.414 120.783 0.631 18219
4166 1 9 . 1 1 12 12 LEU C C 3 176.162 176.162 178.921 -2.759 18219
4167 1 9 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.232 2.368 18219
4168 1 9 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.435 -0.778 18219
4169 1 9 . 1 1 12 12 LEU H H 3 8.285 8.285 7.620 0.665 18219
4170 1 9 . 1 1 13 13 ILE N N 4 118.854 118.854 118.940 -0.086 18219
4171 1 9 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.850 -0.110 18219
4172 1 9 . 1 1 13 13 ILE C C 4 175.228 175.228 177.467 -2.239 18219
4173 1 9 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.599 0.901 18219
4174 1 9 . 1 1 13 13 ILE CB C 4 37.102 37.102 37.911 -0.809 18219
4175 1 9 . 1 1 13 13 ILE H H 4 8.031 8.031 7.953 0.078 18219
4176 1 9 . 1 1 14 14 GLY N N 5 107.478 107.478 106.570 0.908 18219
4177 1 9 . 1 1 14 14 GLY C C 5 174.424 174.424 176.045 -1.621 18219
4178 1 9 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.740 0.319 18219
4179 1 9 . 1 1 14 14 GLY H H 5 8.148 8.148 8.225 -0.077 18219
4180 1 9 . 1 1 15 15 PHE N N 6 122.774 122.774 124.209 -1.435 18219
4181 1 9 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.419 0.061 18219
4182 1 9 . 1 1 15 15 PHE C C 6 175.113 175.113 177.302 -2.189 18219
4183 1 9 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.531 -1.514 18219
4184 1 9 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.132 -0.358 18219
4185 1 9 . 1 1 15 15 PHE H H 6 8.194 8.194 8.580 -0.386 18219
4186 1 9 . 1 1 16 16 GLY N N 7 107.938 107.938 107.299 0.639 18219
4187 1 9 . 1 1 16 16 GLY C C 7 171.838 171.838 175.506 -3.668 18219
4188 1 9 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.714 -0.614 18219
4189 1 9 . 1 1 16 16 GLY H H 7 8.697 8.697 8.356 0.341 18219
4190 1 9 . 1 1 17 17 TYR N N 8 121.785 121.785 122.795 -1.010 18219
4191 1 9 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.107 0.043 18219
4192 1 9 . 1 1 17 17 TYR C C 8 174.180 174.180 177.470 -3.290 18219
4193 1 9 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.484 -0.185 18219
4194 1 9 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.196 -0.237 18219
4195 1 9 . 1 1 17 17 TYR H H 8 8.710 8.710 8.201 0.509 18219
4196 1 9 . 1 1 18 18 ALA N N 9 120.233 120.233 120.367 -0.134 18219
4197 1 9 . 1 1 18 18 ALA HA H 9 3.950 3.950 4.015 -0.065 18219
4198 1 9 . 1 1 18 18 ALA C C 9 178.059 178.059 179.259 -1.200 18219
4199 1 9 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.509 0.363 18219
4200 1 9 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.363 0.199 18219
4201 1 9 . 1 1 18 18 ALA H H 9 7.843 7.843 8.029 -0.186 18219
4202 1 9 . 1 1 19 19 ALA N N 10 121.797 121.797 122.890 -1.093 18219
4203 1 9 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.002 -0.052 18219
4204 1 9 . 1 1 19 19 ALA C C 10 176.191 176.191 179.389 -3.198 18219
4205 1 9 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.957 -0.357 18219
4206 1 9 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.320 -0.758 18219
4207 1 9 . 1 1 19 19 ALA H H 10 8.212 8.212 8.024 0.188 18219
4208 1 9 . 1 1 20 20 LEU N N 11 119.442 119.442 117.652 1.790 18219
4209 1 9 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.976 -0.039 18219
4210 1 9 . 1 1 20 20 LEU C C 11 176.694 176.694 178.915 -2.221 18219
4211 1 9 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.839 -0.039 18219
4212 1 9 . 1 1 20 20 LEU CB C 11 41.222 41.222 40.981 0.241 18219
4213 1 9 . 1 1 20 20 LEU H H 11 8.065 8.065 7.895 0.170 18219
4214 1 9 . 1 1 21 21 VAL N N 12 118.323 118.323 120.349 -2.026 18219
4215 1 9 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.603 0.037 18219
4216 1 9 . 1 1 21 21 VAL C C 12 176.536 176.536 178.587 -2.051 18219
4217 1 9 . 1 1 21 21 VAL CA C 12 65.400 65.400 65.984 -0.584 18219
4218 1 9 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.365 0.770 18219
4219 1 9 . 1 1 21 21 VAL H H 12 8.051 8.051 8.307 -0.256 18219
4220 1 9 . 1 1 22 22 THR N N 13 118.298 118.298 117.129 1.169 18219
4221 1 9 . 1 1 22 22 THR HA H 13 4.660 4.660 4.007 0.653 18219
4222 1 9 . 1 1 22 22 THR C C 13 173.734 173.734 176.501 -2.767 18219
4223 1 9 . 1 1 22 22 THR CA C 13 66.300 66.300 67.238 -0.938 18219
4224 1 9 . 1 1 22 22 THR CB C 13 67.775 67.775 68.713 -0.938 18219
4225 1 9 . 1 1 22 22 THR H H 13 7.944 7.944 8.056 -0.112 18219
4226 1 9 . 1 1 23 23 PHE N N 14 121.328 121.328 122.382 -1.054 18219
4227 1 9 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.211 0.129 18219
4228 1 9 . 1 1 23 23 PHE C C 14 174.783 174.783 177.334 -2.551 18219
4229 1 9 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.823 -1.323 18219
4230 1 9 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.977 -0.351 18219
4231 1 9 . 1 1 23 23 PHE H H 14 8.567 8.567 8.419 0.148 18219
4232 1 9 . 1 1 24 24 GLY N N 15 106.871 106.871 105.029 1.842 18219
4233 1 9 . 1 1 24 24 GLY C C 15 172.858 172.858 176.730 -3.872 18219
4234 1 9 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.257 -0.357 18219
4235 1 9 . 1 1 24 24 GLY H H 15 8.475 8.475 8.985 -0.510 18219
4236 1 9 . 1 1 25 25 SER N N 16 116.214 116.214 117.905 -1.691 18219
4237 1 9 . 1 1 25 25 SER HA H 16 4.280 4.280 4.292 -0.012 18219
4238 1 9 . 1 1 25 25 SER CA C 16 60.300 60.300 61.277 -0.977 18219
4239 1 9 . 1 1 25 25 SER CB C 16 62.879 62.879 63.178 -0.299 18219
4240 1 9 . 1 1 25 25 SER H H 16 7.963 7.963 7.989 -0.026 18219
4241 1 9 . 1 1 26 26 ILE N N 17 121.024 121.024 121.602 -0.578 18219
4242 1 9 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.665 0.281 18219
4243 1 9 . 1 1 26 26 ILE C C 17 173.935 173.935 178.171 -4.236 18219
4244 1 9 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.528 -1.428 18219
4245 1 9 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.138 -0.031 18219
4246 1 9 . 1 1 26 26 ILE H H 17 7.676 7.676 7.859 -0.183 18219
4247 1 9 . 1 1 27 27 PHE N N 18 117.142 117.142 119.224 -2.082 18219
4248 1 9 . 1 1 27 27 PHE HA H 18 4.430 4.430 3.907 0.523 18219
4249 1 9 . 1 1 27 27 PHE C C 18 173.504 173.504 176.308 -2.804 18219
4250 1 9 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.659 -2.159 18219
4251 1 9 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.289 -0.515 18219
4252 1 9 . 1 1 27 27 PHE H H 18 7.703 7.703 8.091 -0.388 18219
4253 1 9 . 1 1 28 28 GLY N N 19 107.303 107.303 105.686 1.617 18219
4254 1 9 . 1 1 28 28 GLY C C 19 171.593 171.593 173.571 -1.978 18219
4255 1 9 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.252 0.348 18219
4256 1 9 . 1 1 28 28 GLY H H 19 7.722 7.722 7.809 -0.087 18219
4257 1 9 . 1 1 29 29 TYR N N 20 119.862 119.862 111.585 8.277 18219
4258 1 9 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.410 -0.018 18219
4259 1 9 . 1 1 29 29 TYR C C 20 173.174 173.174 174.657 -1.483 18219
4260 1 9 . 1 1 29 29 TYR CA C 20 58.500 58.500 56.703 1.797 18219
4261 1 9 . 1 1 29 29 TYR CB C 20 38.404 38.404 36.842 1.562 18219
4262 1 9 . 1 1 29 29 TYR H H 20 7.880 7.880 8.287 -0.407 18219
4263 1 9 . 1 1 30 30 LYS N N 21 122.335 122.335 124.014 -1.679 18219
4264 1 9 . 1 1 30 30 LYS HA H 21 4.390 4.390 3.828 0.562 18219
4265 1 9 . 1 1 30 30 LYS C C 21 173.547 173.547 176.698 -3.151 18219
4266 1 9 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.020 -1.220 18219
4267 1 9 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.761 -0.365 18219
4268 1 9 . 1 1 30 30 LYS H H 21 7.934 7.934 8.223 -0.289 18219
4269 1 9 . 1 1 31 31 ARG N N 22 120.612 120.612 122.019 -1.407 18219
4270 1 9 . 1 1 31 31 ARG C C 22 173.547 173.547 175.413 -1.866 18219
4271 1 9 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.977 -0.143 18219
4272 1 9 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.616 -0.515 18219
4273 1 9 . 1 1 31 31 ARG H H 22 7.905 7.905 8.330 -0.425 18219
4274 1 9 . 1 1 32 32 ARG N N 23 121.748 121.748 122.780 -1.032 18219
4275 1 9 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.307 0.003 18219
4276 1 9 . 1 1 32 32 ARG C C 23 173.863 173.863 176.514 -2.651 18219
4277 1 9 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.671 -0.871 18219
4278 1 9 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.773 -0.528 18219
4279 1 9 . 1 1 32 32 ARG H H 23 8.175 8.175 8.370 -0.195 18219
4280 1 9 . 1 1 33 33 GLY N N 24 109.528 109.528 106.093 3.435 18219
4281 1 9 . 1 1 33 33 GLY C C 24 171.752 171.752 174.031 -2.279 18219
4282 1 9 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.340 0.560 18219
4283 1 9 . 1 1 33 33 GLY H H 24 8.264 8.264 8.098 0.166 18219
4284 1 9 . 1 1 34 34 GLY N N 25 108.563 108.563 107.081 1.482 18219
4285 1 9 . 1 1 34 34 GLY C C 25 171.701 171.701 174.976 -3.275 18219
4286 1 9 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.708 -0.108 18219
4287 1 9 . 1 1 34 34 GLY H H 25 8.208 8.208 8.274 -0.066 18219
4288 1 9 . 1 1 35 35 VAL N N 26 121.164 121.164 122.158 -0.994 18219
4289 1 9 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.905 0.105 18219
4290 1 9 . 1 1 35 35 VAL C C 26 175.888 175.888 176.084 -0.196 18219
4291 1 9 . 1 1 35 35 VAL CA C 26 63.900 63.900 65.178 -1.278 18219
4292 1 9 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.481 -0.791 18219
4293 1 9 . 1 1 35 35 VAL H H 26 8.485 8.485 8.239 0.246 18219
4294 1 9 . 1 1 36 36 PRO C C 27 177.660 177.660 175.872 1.788 18219
4295 1 9 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.568 -1.721 18219
4296 1 9 . 1 1 37 37 SER N N 28 116.023 116.023 115.729 0.294 18219
4297 1 9 . 1 1 37 37 SER HA H 28 4.280 4.280 4.887 -0.607 18219
4298 1 9 . 1 1 37 37 SER CA C 28 61.100 61.100 59.040 2.060 18219
4299 1 9 . 1 1 37 37 SER H H 28 7.948 7.948 8.372 -0.424 18219
4300 1 9 . 1 1 38 38 LEU N N 29 124.029 124.029 121.669 2.360 18219
4301 1 9 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.041 0.129 18219
4302 1 9 . 1 1 38 38 LEU C C 29 176.132 176.132 178.459 -2.327 18219
4303 1 9 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.351 -0.851 18219
4304 1 9 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.772 1.266 18219
4305 1 9 . 1 1 38 38 LEU H H 29 8.201 8.201 7.386 0.815 18219
4306 1 9 . 1 1 39 39 ILE N N 30 117.098 117.098 119.112 -2.014 18219
4307 1 9 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.719 0.651 18219
4308 1 9 . 1 1 39 39 ILE C C 30 176.478 176.478 177.682 -1.204 18219
4309 1 9 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.905 -0.826 18219
4310 1 9 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.789 0.184 18219
4311 1 9 . 1 1 39 39 ILE H H 30 7.662 7.662 8.214 -0.552 18219
4312 1 9 . 1 1 40 40 ALA N N 31 122.447 122.447 121.325 1.122 18219
4313 1 9 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.098 -0.064 18219
4314 1 9 . 1 1 40 40 ALA C C 31 177.067 177.067 179.661 -2.594 18219
4315 1 9 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.451 0.511 18219
4316 1 9 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.117 -0.261 18219
4317 1 9 . 1 1 40 40 ALA H H 31 8.096 8.096 7.832 0.264 18219
4318 1 9 . 1 1 41 41 GLY N N 32 104.056 104.056 107.516 -3.460 18219
4319 1 9 . 1 1 41 41 GLY C C 32 174.251 174.251 175.939 -1.688 18219
4320 1 9 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.934 -0.434 18219
4321 1 9 . 1 1 41 41 GLY H H 32 8.123 8.123 8.097 0.026 18219
4322 1 9 . 1 1 42 42 LEU N N 33 123.250 123.250 122.879 0.371 18219
4323 1 9 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.923 -0.066 18219
4324 1 9 . 1 1 42 42 LEU C C 33 176.033 176.033 178.430 -2.397 18219
4325 1 9 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.222 -1.554 18219
4326 1 9 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.008 -0.287 18219
4327 1 9 . 1 1 42 42 LEU H H 33 7.914 7.914 8.393 -0.479 18219
4328 1 9 . 1 1 43 43 PHE N N 34 119.757 119.757 118.815 0.942 18219
4329 1 9 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.018 0.182 18219
4330 1 9 . 1 1 43 43 PHE C C 34 174.374 174.374 177.788 -3.414 18219
4331 1 9 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.090 -2.214 18219
4332 1 9 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.753 0.081 18219
4333 1 9 . 1 1 43 43 PHE H H 34 8.287 8.287 8.196 0.091 18219
4334 1 9 . 1 1 44 44 VAL N N 35 117.791 117.791 118.286 -0.495 18219
4335 1 9 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.684 -0.074 18219
4336 1 9 . 1 1 44 44 VAL C C 35 176.205 176.205 178.625 -2.420 18219
4337 1 9 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.954 -2.395 18219
4338 1 9 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.832 0.600 18219
4339 1 9 . 1 1 44 44 VAL H H 35 8.235 8.235 8.532 -0.297 18219
4340 1 9 . 1 1 45 45 GLY N N 36 108.551 108.551 107.126 1.425 18219
4341 1 9 . 1 1 45 45 GLY C C 36 173.749 173.749 175.902 -2.153 18219
4342 1 9 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.285 -1.202 18219
4343 1 9 . 1 1 45 45 GLY H H 36 8.178 8.178 8.455 -0.277 18219
4344 1 9 . 1 1 46 46 CYS N N 37 121.173 121.173 122.289 -1.116 18219
4345 1 9 . 1 1 46 46 CYS HA H 37 4.180 4.180 3.950 0.230 18219
4346 1 9 . 1 1 46 46 CYS C C 37 173.710 173.710 176.865 -3.155 18219
4347 1 9 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.094 -1.094 18219
4348 1 9 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.400 32.883 18219
4349 1 9 . 1 1 46 46 CYS H H 37 8.253 8.253 8.126 0.127 18219
4350 1 9 . 1 1 47 47 LEU N N 38 120.283 120.283 119.246 1.037 18219
4351 1 9 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.005 0.055 18219
4352 1 9 . 1 1 47 47 LEU C C 38 176.679 176.679 178.894 -2.215 18219
4353 1 9 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.691 -1.665 18219
4354 1 9 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.095 0.369 18219
4355 1 9 . 1 1 47 47 LEU H H 38 7.965 7.965 8.284 -0.319 18219
4356 1 9 . 1 1 48 48 ALA N N 39 122.249 122.249 122.628 -0.379 18219
4357 1 9 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.060 0.082 18219
4358 1 9 . 1 1 48 48 ALA C C 39 177.915 177.915 179.942 -2.027 18219
4359 1 9 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.081 -1.364 18219
4360 1 9 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.204 -0.219 18219
4361 1 9 . 1 1 48 48 ALA H H 39 8.066 8.066 8.304 -0.238 18219
4362 1 9 . 1 1 49 49 GLY N N 40 107.377 107.377 107.307 0.070 18219
4363 1 9 . 1 1 49 49 GLY C C 40 172.527 172.527 175.469 -2.942 18219
4364 1 9 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.597 -1.147 18219
4365 1 9 . 1 1 49 49 GLY H H 40 8.172 8.172 8.401 -0.229 18219
4366 1 9 . 1 1 50 50 TYR N N 41 122.409 122.409 123.771 -1.362 18219
4367 1 9 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.022 -0.223 18219
4368 1 9 . 1 1 50 50 TYR C C 41 174.208 174.208 178.240 -4.032 18219
4369 1 9 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.962 -1.717 18219
4370 1 9 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.477 -0.541 18219
4371 1 9 . 1 1 50 50 TYR H H 41 7.800 7.800 8.373 -0.573 18219
4372 1 9 . 1 1 51 51 GLY N N 42 106.935 106.935 104.811 2.124 18219
4373 1 9 . 1 1 51 51 GLY C C 42 172.642 172.642 175.978 -3.336 18219
4374 1 9 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.648 0.617 18219
4375 1 9 . 1 1 51 51 GLY H H 42 8.199 8.199 8.521 -0.322 18219
4376 1 9 . 1 1 52 52 ALA N N 43 123.018 123.018 124.559 -1.541 18219
4377 1 9 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.016 0.134 18219
4378 1 9 . 1 1 52 52 ALA C C 43 176.398 176.398 177.976 -1.578 18219
4379 1 9 . 1 1 52 52 ALA CA C 43 52.883 52.883 53.977 -1.094 18219
4380 1 9 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.358 -0.117 18219
4381 1 9 . 1 1 52 52 ALA H H 43 7.758 7.758 8.128 -0.370 18219
4382 1 9 . 1 1 53 53 TYR N N 44 119.664 119.664 117.831 1.833 18219
4383 1 9 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.313 0.005 18219
4384 1 9 . 1 1 53 53 TYR C C 44 174.180 174.180 177.493 -3.313 18219
4385 1 9 . 1 1 53 53 TYR CA C 44 58.593 58.593 59.808 -1.215 18219
4386 1 9 . 1 1 53 53 TYR CB C 44 38.192 38.192 39.030 -0.838 18219
4387 1 9 . 1 1 53 53 TYR H H 44 7.920 7.920 8.112 -0.192 18219
4388 1 9 . 1 1 54 54 ARG N N 45 119.516 119.516 120.020 -0.504 18219
4389 1 9 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.049 -0.119 18219
4390 1 9 . 1 1 54 54 ARG C C 45 174.423 174.423 176.681 -2.258 18219
4391 1 9 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.731 -1.704 18219
4392 1 9 . 1 1 54 54 ARG CB C 45 30.173 30.173 29.710 0.463 18219
4393 1 9 . 1 1 54 54 ARG H H 45 7.956 7.956 7.638 0.318 18219
4394 1 9 . 1 1 55 55 VAL N N 46 116.437 116.437 119.271 -2.834 18219
4395 1 9 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.780 0.280 18219
4396 1 9 . 1 1 55 55 VAL C C 46 173.806 173.806 177.175 -3.369 18219
4397 1 9 . 1 1 55 55 VAL CA C 46 62.300 62.300 64.852 -2.552 18219
4398 1 9 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.138 0.383 18219
4399 1 9 . 1 1 55 55 VAL H H 46 7.489 7.489 7.281 0.208 18219
4400 1 9 . 1 1 56 56 SER N N 47 117.185 117.185 114.299 2.886 18219
4401 1 9 . 1 1 56 56 SER HA H 47 4.401 4.401 4.293 0.108 18219
4402 1 9 . 1 1 56 56 SER C C 47 172.074 172.074 174.386 -2.312 18219
4403 1 9 . 1 1 56 56 SER CA C 47 58.133 58.133 59.248 -1.115 18219
4404 1 9 . 1 1 56 56 SER CB C 47 63.468 63.468 62.609 0.859 18219
4405 1 9 . 1 1 56 56 SER H H 47 7.728 7.728 7.496 0.232 18219
4406 1 9 . 1 1 57 57 ASN N N 48 121.049 121.049 118.756 2.293 18219
4407 1 9 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.717 -0.127 18219
4408 1 9 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.091 -0.491 18219
4409 1 9 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.445 -0.804 18219
4410 1 9 . 1 1 57 57 ASN H H 48 8.228 8.228 8.012 0.215 18219
4411 1 9 . 1 1 58 58 ASP N N 49 120.276 120.276 120.212 0.064 18219
4412 1 9 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.535 -0.005 18219
4413 1 9 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.761 -0.559 18219
4414 1 9 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.597 -1.223 18219
4415 1 9 . 1 1 58 58 ASP H H 49 8.192 8.192 8.270 -0.078 18219
4416 1 9 . 1 1 59 59 LYS N N 50 120.660 120.660 116.711 3.949 18219
4417 1 9 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.925 0.275 18219
4418 1 9 . 1 1 59 59 LYS C C 50 173.474 173.474 175.312 -1.838 18219
4419 1 9 . 1 1 59 59 LYS CA C 50 56.300 56.300 57.018 -0.718 18219
4420 1 9 . 1 1 59 59 LYS CB C 50 32.034 32.034 30.930 1.104 18219
4421 1 9 . 1 1 59 59 LYS H H 50 8.003 8.003 7.524 0.479 18219
4422 1 9 . 1 1 60 60 ARG N N 51 121.278 121.278 117.868 3.410 18219
4423 1 9 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.163 0.037 18219
4424 1 9 . 1 1 60 60 ARG C C 51 173.303 173.303 174.493 -1.190 18219
4425 1 9 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.796 -0.513 18219
4426 1 9 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.167 -0.929 18219
4427 1 9 . 1 1 60 60 ARG H H 51 8.091 8.091 7.846 0.245 18219
4428 1 9 . 1 1 61 61 ASP N N 52 121.185 121.185 117.543 3.642 18219
4429 1 9 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.764 -0.149 18219
4430 1 9 . 1 1 61 61 ASP C C 52 173.777 173.777 176.620 -2.843 18219
4431 1 9 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.431 -1.452 18219
4432 1 9 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.531 -1.286 18219
4433 1 9 . 1 1 61 61 ASP H H 52 8.261 8.261 8.508 -0.247 18219
4434 1 9 . 1 1 62 62 VAL N N 53 121.902 121.902 119.190 2.712 18219
4435 1 9 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.295 -0.345 18219
4436 1 9 . 1 1 62 62 VAL C C 53 173.279 173.279 176.804 -3.525 18219
4437 1 9 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.133 0.043 18219
4438 1 9 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.495 -0.396 18219
4439 1 9 . 1 1 62 62 VAL H H 53 7.997 7.997 8.249 -0.252 18219
4440 1 9 . 1 1 63 63 LYS N N 54 123.522 123.522 121.850 1.672 18219
4441 1 9 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.181 0.079 18219
4442 1 9 . 1 1 63 63 LYS C C 54 174.481 174.481 178.637 -4.156 18219
4443 1 9 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.861 -3.514 18219
4444 1 9 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.778 0.321 18219
4445 1 9 . 1 1 63 63 LYS H H 54 8.054 8.054 8.286 -0.232 18219
4446 1 9 . 1 1 64 64 VAL N N 55 120.647 120.647 117.713 2.934 18219
4447 1 9 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.855 0.092 18219
4448 1 9 . 1 1 64 64 VAL C C 55 174.955 174.955 177.497 -2.542 18219
4449 1 9 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.520 -0.920 18219
4450 1 9 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.064 0.814 18219
4451 1 9 . 1 1 64 64 VAL H H 55 8.225 8.225 8.154 0.071 18219
4452 1 9 . 1 1 65 65 SER N N 56 117.785 117.785 116.100 1.685 18219
4453 1 9 . 1 1 65 65 SER HA H 56 4.390 4.390 4.267 0.123 18219
4454 1 9 . 1 1 65 65 SER C C 56 172.300 172.300 176.821 -4.521 18219
4455 1 9 . 1 1 65 65 SER CA C 56 60.000 60.000 62.388 -2.388 18219
4456 1 9 . 1 1 65 65 SER CB C 56 62.879 62.879 62.952 -0.073 18219
4457 1 9 . 1 1 65 65 SER H H 56 8.260 8.260 7.428 0.832 18219
4458 1 9 . 1 1 66 66 LEU N N 57 123.318 123.318 123.048 0.270 18219
4459 1 9 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.138 -0.048 18219
4460 1 9 . 1 1 66 66 LEU C C 57 175.932 175.932 178.648 -2.716 18219
4461 1 9 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.545 -1.043 18219
4462 1 9 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.116 -0.395 18219
4463 1 9 . 1 1 66 66 LEU H H 57 8.091 8.091 8.245 -0.154 18219
4464 1 9 . 1 1 67 67 PHE N N 58 118.020 118.020 117.151 0.869 18219
4465 1 9 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.141 0.189 18219
4466 1 9 . 1 1 67 67 PHE C C 58 174.912 174.912 178.424 -3.512 18219
4467 1 9 . 1 1 67 67 PHE CA C 58 60.600 60.600 62.199 -1.599 18219
4468 1 9 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.471 0.081 18219
4469 1 9 . 1 1 67 67 PHE H H 58 8.066 8.066 9.034 -0.968 18219
4470 1 9 . 1 1 68 68 THR N N 59 115.324 115.324 116.383 -1.059 18219
4471 1 9 . 1 1 68 68 THR HA H 59 4.310 4.310 4.106 0.204 18219
4472 1 9 . 1 1 68 68 THR C C 59 173.380 173.380 176.328 -2.948 18219
4473 1 9 . 1 1 68 68 THR CA C 59 66.313 66.313 67.452 -1.139 18219
4474 1 9 . 1 1 68 68 THR CB C 59 67.700 67.700 68.910 -1.210 18219
4475 1 9 . 1 1 68 68 THR H H 59 8.287 8.287 8.147 0.140 18219
4476 1 9 . 1 1 69 69 ALA N N 60 123.621 123.621 124.782 -1.161 18219
4477 1 9 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.158 0.122 18219
4478 1 9 . 1 1 69 69 ALA C C 60 176.978 176.978 180.034 -3.056 18219
4479 1 9 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.341 -0.241 18219
4480 1 9 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.217 -0.489 18219
4481 1 9 . 1 1 69 69 ALA H H 60 7.983 7.983 8.247 -0.264 18219
4482 1 9 . 1 1 70 70 PHE N N 61 118.520 118.520 117.590 0.930 18219
4483 1 9 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.203 0.057 18219
4484 1 9 . 1 1 70 70 PHE C C 61 175.369 175.369 177.531 -2.162 18219
4485 1 9 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.997 -1.818 18219
4486 1 9 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.011 -0.305 18219
4487 1 9 . 1 1 70 70 PHE H H 61 8.007 8.007 8.891 -0.884 18219
4488 1 9 . 1 1 71 71 PHE N N 62 122.314 122.314 121.214 1.100 18219
4489 1 9 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.235 -0.235 18219
4490 1 9 . 1 1 71 71 PHE C C 62 174.697 174.697 176.782 -2.085 18219
4491 1 9 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.163 -1.646 18219
4492 1 9 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.334 -0.564 18219
4493 1 9 . 1 1 71 71 PHE H H 62 8.546 8.546 8.251 0.295 18219
4494 1 9 . 1 1 72 72 LEU N N 63 119.399 119.399 120.143 -0.744 18219
4495 1 9 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.627 0.243 18219
4496 1 9 . 1 1 72 72 LEU C C 63 175.774 175.774 178.716 -2.942 18219
4497 1 9 . 1 1 72 72 LEU CA C 63 56.925 56.925 57.784 -0.859 18219
4498 1 9 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.174 0.033 18219
4499 1 9 . 1 1 72 72 LEU H H 63 8.396 8.396 8.876 -0.480 18219
4500 1 9 . 1 1 73 73 ALA N N 64 120.221 120.221 121.297 -1.076 18219
4501 1 9 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.862 0.098 18219
4502 1 9 . 1 1 73 73 ALA C C 64 177.267 177.267 179.044 -1.777 18219
4503 1 9 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.338 -0.738 18219
4504 1 9 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.818 -0.034 18219
4505 1 9 . 1 1 73 73 ALA H H 64 8.025 8.025 8.004 0.021 18219
4506 1 9 . 1 1 74 74 THR N N 65 113.648 113.648 115.840 -2.192 18219
4507 1 9 . 1 1 74 74 THR HA H 65 3.980 3.980 3.740 0.240 18219
4508 1 9 . 1 1 74 74 THR CA C 65 66.291 66.291 66.506 -0.215 18219
4509 1 9 . 1 1 74 74 THR CB C 65 67.914 67.914 68.814 -0.900 18219
4510 1 9 . 1 1 74 74 THR H H 65 7.717 7.717 7.537 0.180 18219
4511 1 9 . 1 1 75 75 ILE N N 66 120.291 120.291 120.228 0.063 18219
4512 1 9 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.464 0.276 18219
4513 1 9 . 1 1 75 75 ILE C C 66 174.951 174.951 178.279 -3.328 18219
4514 1 9 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.497 1.383 18219
4515 1 9 . 1 1 75 75 ILE CB C 66 37.166 37.166 36.761 0.405 18219
4516 1 9 . 1 1 75 75 ILE H H 66 7.738 7.738 8.152 -0.414 18219
4517 1 9 . 1 1 76 76 MET N N 67 117.618 117.618 117.208 0.410 18219
4518 1 9 . 1 1 76 76 MET HA H 67 4.220 4.220 3.919 0.301 18219
4519 1 9 . 1 1 76 76 MET C C 67 175.142 175.142 178.331 -3.189 18219
4520 1 9 . 1 1 76 76 MET CA C 67 56.723 56.723 58.323 -1.600 18219
4521 1 9 . 1 1 76 76 MET CB C 67 31.951 31.951 33.137 -1.186 18219
4522 1 9 . 1 1 76 76 MET H H 67 7.823 7.823 8.254 -0.431 18219
4523 1 9 . 1 1 77 77 GLY N N 68 107.110 107.110 104.973 2.137 18219
4524 1 9 . 1 1 77 77 GLY C C 68 172.260 172.260 175.835 -3.575 18219
4525 1 9 . 1 1 77 77 GLY CA C 68 45.800 45.800 46.171 -0.371 18219
4526 1 9 . 1 1 77 77 GLY H H 68 7.937 7.937 8.313 -0.376 18219
4527 1 9 . 1 1 78 78 VAL N N 69 120.431 120.431 118.304 2.127 18219
4528 1 9 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.767 0.453 18219
4529 1 9 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.911 -1.011 18219
4530 1 9 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.784 -0.278 18219
4531 1 9 . 1 1 78 78 VAL H H 69 7.697 7.697 8.358 -0.661 18219
4532 1 9 . 1 1 79 79 ARG N N 70 121.420 121.420 118.443 2.977 18219
4533 1 9 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.471 -0.661 18219
4534 1 9 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.770 0.630 18219
4535 1 9 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.836 -0.739 18219
4536 1 9 . 1 1 79 79 ARG H H 70 7.889 7.889 7.691 0.198 18219
4537 1 9 . 1 1 80 80 PHE N N 71 119.949 119.949 128.161 -8.212 18219
4538 1 9 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.571 -0.061 18219
4539 1 9 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.084 0.516 18219
4540 1 9 . 1 1 80 80 PHE CB C 71 39.145 39.145 38.356 0.789 18219
4541 1 9 . 1 1 80 80 PHE H H 71 8.101 8.101 8.895 -0.794 18219
4542 1 9 . 1 1 81 81 LYS N N 72 122.193 122.193 123.953 -1.760 18219
4543 1 9 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.233 0.567 18219
4544 1 9 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.800 -1.478 18219
4545 1 9 . 1 1 81 81 LYS H H 72 8.090 8.090 8.039 0.051 18219
4546 1 9 . 1 1 82 82 ARG N N 73 119.650 119.650 120.239 -0.589 18219
4547 1 9 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.309 -0.220 18219
4548 1 9 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.788 -0.617 18219
4549 1 9 . 1 1 82 82 ARG H H 73 8.052 8.052 8.064 -0.012 18219
4550 1 9 . 1 1 83 83 SER N N 74 115.734 115.734 118.898 -3.164 18219
4551 1 9 . 1 1 83 83 SER CA C 74 58.355 58.355 57.510 0.845 18219
4552 1 9 . 1 1 83 83 SER CB C 74 63.404 63.404 64.504 -1.100 18219
4553 1 9 . 1 1 83 83 SER H H 74 7.912 7.912 8.460 -0.548 18219
4554 1 9 . 1 1 84 84 LYS N N 75 122.370 122.370 122.110 0.260 18219
4555 1 9 . 1 1 84 84 LYS CA C 75 56.135 56.135 55.286 0.849 18219
4556 1 9 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.691 0.484 18219
4557 1 9 . 1 1 84 84 LYS H H 75 8.067 8.067 8.628 -0.561 18219
4558 1 9 . 1 1 86 86 ILE N N 77 119.592 119.592 117.857 1.735 18219
4559 1 9 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.013 -0.203 18219
4560 1 9 . 1 1 86 86 ILE CA C 77 64.900 64.900 63.064 1.836 18219
4561 1 9 . 1 1 86 86 ILE CB C 77 39.145 39.145 39.033 0.112 18219
4562 1 9 . 1 1 86 86 ILE H H 77 7.837 7.837 7.649 0.188 18219
4563 1 9 . 1 1 87 87 MET N N 78 121.645 121.645 118.563 3.082 18219
4564 1 9 . 1 1 87 87 MET CA C 78 52.982 52.982 59.858 -6.876 18219
4565 1 9 . 1 1 87 87 MET CB C 78 32.173 32.173 30.799 1.374 18219
4566 1 9 . 1 1 87 87 MET H H 78 7.950 7.950 8.402 -0.452 18219
4567 1 9 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.414 -0.274 18219
4568 1 9 . 1 1 88 88 PRO C C 79 173.921 173.921 177.595 -3.674 18219
4569 1 9 . 1 1 88 88 PRO CA C 79 62.800 62.800 63.186 -0.386 18219
4570 1 9 . 1 1 88 88 PRO CB C 79 31.136 31.136 32.057 -0.921 18219
4571 1 9 . 1 1 89 89 ALA N N 80 124.431 124.431 118.855 5.576 18219
4572 1 9 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.067 0.333 18219
4573 1 9 . 1 1 89 89 ALA C C 80 176.234 176.234 179.666 -3.432 18219
4574 1 9 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.348 -1.048 18219
4575 1 9 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.271 1.227 18219
4576 1 9 . 1 1 89 89 ALA H H 80 8.320 8.320 8.561 -0.241 18219
4577 1 9 . 1 1 90 90 GLY N N 81 106.834 106.834 107.439 -0.605 18219
4578 1 9 . 1 1 90 90 GLY C C 81 172.398 172.398 175.660 -3.262 18219
4579 1 9 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.248 -1.648 18219
4580 1 9 . 1 1 90 90 GLY H H 81 8.458 8.458 8.135 0.323 18219
4581 1 9 . 1 1 91 91 LEU N N 82 121.043 121.043 121.168 -0.125 18219
4582 1 9 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.110 0.090 18219
4583 1 9 . 1 1 91 91 LEU C C 82 174.783 174.783 178.506 -3.723 18219
4584 1 9 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.979 -1.679 18219
4585 1 9 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.651 0.455 18219
4586 1 9 . 1 1 91 91 LEU H H 82 7.687 7.687 8.011 -0.324 18219
4587 1 9 . 1 1 92 92 VAL N N 83 114.737 114.737 120.090 -5.353 18219
4588 1 9 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.589 0.391 18219
4589 1 9 . 1 1 92 92 VAL C C 83 173.634 173.634 177.765 -4.131 18219
4590 1 9 . 1 1 92 92 VAL CA C 83 62.400 62.400 67.098 -4.698 18219
4591 1 9 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.392 0.193 18219
4592 1 9 . 1 1 92 92 VAL H H 83 7.602 7.602 7.872 -0.270 18219
4593 1 9 . 1 1 93 93 ALA N N 84 124.320 124.320 120.569 3.751 18219
4594 1 9 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.071 0.079 18219
4595 1 9 . 1 1 93 93 ALA C C 84 175.746 175.746 179.866 -4.120 18219
4596 1 9 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.398 -2.098 18219
4597 1 9 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.996 0.245 18219
4598 1 9 . 1 1 93 93 ALA H H 84 7.891 7.891 8.593 -0.702 18219
4599 1 9 . 1 1 94 94 GLY N N 85 106.807 106.807 107.501 -0.694 18219
4600 1 9 . 1 1 94 94 GLY C C 85 171.752 171.752 175.918 -4.166 18219
4601 1 9 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.595 -1.346 18219
4602 1 9 . 1 1 94 94 GLY H H 85 8.204 8.204 8.311 -0.107 18219
4603 1 9 . 1 1 95 95 LEU N N 86 121.266 121.266 121.457 -0.191 18219
4604 1 9 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.048 0.332 18219
4605 1 9 . 1 1 95 95 LEU C C 86 173.702 173.702 178.996 -5.294 18219
4606 1 9 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.923 -2.923 18219
4607 1 9 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.298 1.000 18219
4608 1 9 . 1 1 95 95 LEU H H 86 7.718 7.718 8.207 -0.489 18219
4609 1 9 . 1 1 96 96 SER N N 87 115.658 115.658 115.560 0.098 18219
4610 1 9 . 1 1 96 96 SER HA H 87 4.370 4.370 4.229 0.141 18219
4611 1 9 . 1 1 96 96 SER C C 87 172.479 172.479 176.551 -4.072 18219
4612 1 9 . 1 1 96 96 SER CA C 87 57.200 57.200 63.177 -5.977 18219
4613 1 9 . 1 1 96 96 SER CB C 87 64.174 64.174 63.281 0.894 18219
4614 1 9 . 1 1 96 96 SER H H 87 7.659 7.659 8.228 -0.569 18219
4615 1 9 . 1 1 97 97 LEU N N 88 123.720 123.720 122.646 1.074 18219
4616 1 9 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.968 0.632 18219
4617 1 9 . 1 1 97 97 LEU C C 88 175.932 175.932 178.839 -2.907 18219
4618 1 9 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.925 -0.325 18219
4619 1 9 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.006 -0.606 18219
4620 1 9 . 1 1 97 97 LEU H H 88 8.733 8.733 8.103 0.630 18219
4621 1 9 . 1 1 98 98 MET N N 89 116.684 116.684 119.640 -2.956 18219
4622 1 9 . 1 1 98 98 MET HA H 89 4.280 4.280 4.153 0.127 18219
4623 1 9 . 1 1 98 98 MET C C 89 175.789 175.789 177.988 -2.199 18219
4624 1 9 . 1 1 98 98 MET CA C 89 56.915 56.915 58.956 -2.041 18219
4625 1 9 . 1 1 98 98 MET CB C 89 31.007 31.007 32.815 -1.808 18219
4626 1 9 . 1 1 98 98 MET H H 89 8.342 8.342 8.196 0.146 18219
4627 1 9 . 1 1 99 99 MET N N 90 119.182 119.182 118.640 0.542 18219
4628 1 9 . 1 1 99 99 MET HA H 90 4.110 4.110 4.185 -0.075 18219
4629 1 9 . 1 1 99 99 MET C C 90 175.588 175.588 178.564 -2.976 18219
4630 1 9 . 1 1 99 99 MET CA C 90 57.951 57.951 58.554 -0.604 18219
4631 1 9 . 1 1 99 99 MET CB C 90 32.226 32.226 31.886 0.340 18219
4632 1 9 . 1 1 99 99 MET H H 90 7.720 7.720 8.207 -0.487 18219
4633 1 9 . 1 1 100 100 ILE N N 91 119.077 119.077 119.940 -0.863 18219
4634 1 9 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.955 0.155 18219
4635 1 9 . 1 1 100 100 ILE C C 91 174.634 174.634 177.035 -2.401 18219
4636 1 9 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.207 -0.107 18219
4637 1 9 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.531 -1.388 18219
4638 1 9 . 1 1 100 100 ILE H H 91 7.662 7.662 8.273 -0.611 18219
4639 1 9 . 1 1 101 101 LEU N N 92 119.646 119.646 120.949 -1.303 18219
4640 1 9 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.944 0.586 18219
4641 1 9 . 1 1 101 101 LEU C C 92 175.430 175.430 178.470 -3.040 18219
4642 1 9 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.706 0.094 18219
4643 1 9 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.668 -0.910 18219
4644 1 9 . 1 1 101 101 LEU H H 92 8.142 8.142 7.677 0.465 18219
4645 1 9 . 1 1 102 102 ARG N N 93 116.394 116.394 118.559 -2.165 18219
4646 1 9 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.250 -0.110 18219
4647 1 9 . 1 1 102 102 ARG C C 93 175.961 175.961 178.531 -2.570 18219
4648 1 9 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.596 0.504 18219
4649 1 9 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.632 -1.228 18219
4650 1 9 . 1 1 102 102 ARG H H 93 7.893 7.893 8.063 -0.170 18219
4651 1 9 . 1 1 103 103 LEU N N 94 119.114 119.114 121.281 -2.167 18219
4652 1 9 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.072 0.038 18219
4653 1 9 . 1 1 103 103 LEU C C 94 175.889 175.889 178.420 -2.531 18219
4654 1 9 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.870 -0.570 18219
4655 1 9 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.943 -0.647 18219
4656 1 9 . 1 1 103 103 LEU H H 94 7.622 7.622 7.923 -0.301 18219
4657 1 9 . 1 1 104 104 VAL N N 95 117.704 117.704 118.409 -0.705 18219
4658 1 9 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.620 -0.090 18219
4659 1 9 . 1 1 104 104 VAL C C 95 175.042 175.042 177.313 -2.271 18219
4660 1 9 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.456 0.963 18219
4661 1 9 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.890 -0.533 18219
4662 1 9 . 1 1 104 104 VAL H H 95 8.026 8.026 7.988 0.038 18219
4663 1 9 . 1 1 105 105 LEU N N 96 117.185 117.185 116.648 0.537 18219
4664 1 9 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.089 -0.109 18219
4665 1 9 . 1 1 105 105 LEU C C 96 176.579 176.579 177.757 -1.178 18219
4666 1 9 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.304 0.496 18219
4667 1 9 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.911 -0.960 18219
4668 1 9 . 1 1 105 105 LEU H H 96 7.893 7.893 7.414 0.479 18219
4669 1 9 . 1 1 106 106 LEU N N 97 118.471 118.471 118.469 0.002 18219
4670 1 9 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.838 0.342 18219
4671 1 9 . 1 1 106 106 LEU C C 97 175.802 175.802 176.276 -0.474 18219
4672 1 9 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.094 1.206 18219
4673 1 9 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.130 0.462 18219
4674 1 9 . 1 1 106 106 LEU H H 97 7.545 7.545 7.359 0.186 18219
4675 1 9 . 1 1 107 107 LEU N N 98 118.162 118.162 114.203 3.959 18219
4676 1 9 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.885 0.345 18219
4677 1 9 . 1 1 107 107 LEU C C 98 174.174 174.174 177.718 -3.544 18219
4678 1 9 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.303 0.980 18219
4679 1 9 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.661 2.701 18219
4680 1 9 . 1 1 107 107 LEU H H 98 7.688 7.688 8.304 -0.616 18219
4681 1 10 . 1 1 11 11 ASP N N 2 120.536 120.536 122.922 -2.386 18219
4682 1 10 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.430 2.488 18219
4683 1 10 . 1 1 11 11 ASP CB C 2 37.959 37.959 43.245 -5.286 18219
4684 1 10 . 1 1 11 11 ASP H H 2 7.863 7.863 8.194 -0.331 18219
4685 1 10 . 1 1 12 12 LEU N N 3 121.414 121.414 122.086 -0.672 18219
4686 1 10 . 1 1 12 12 LEU C C 3 176.162 176.162 179.148 -2.986 18219
4687 1 10 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.836 0.764 18219
4688 1 10 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.197 -0.540 18219
4689 1 10 . 1 1 12 12 LEU H H 3 8.285 8.285 8.210 0.075 18219
4690 1 10 . 1 1 13 13 ILE N N 4 118.854 118.854 117.802 1.052 18219
4691 1 10 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.854 -0.114 18219
4692 1 10 . 1 1 13 13 ILE C C 4 175.228 175.228 177.820 -2.592 18219
4693 1 10 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.572 0.928 18219
4694 1 10 . 1 1 13 13 ILE CB C 4 37.102 37.102 37.855 -0.753 18219
4695 1 10 . 1 1 13 13 ILE H H 4 8.031 8.031 7.853 0.178 18219
4696 1 10 . 1 1 14 14 GLY N N 5 107.478 107.478 106.414 1.064 18219
4697 1 10 . 1 1 14 14 GLY C C 5 174.424 174.424 175.944 -1.520 18219
4698 1 10 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.752 0.307 18219
4699 1 10 . 1 1 14 14 GLY H H 5 8.148 8.148 8.272 -0.124 18219
4700 1 10 . 1 1 15 15 PHE N N 6 122.774 122.774 123.818 -1.044 18219
4701 1 10 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.295 0.185 18219
4702 1 10 . 1 1 15 15 PHE C C 6 175.113 175.113 177.185 -2.072 18219
4703 1 10 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.875 -1.858 18219
4704 1 10 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.640 0.134 18219
4705 1 10 . 1 1 15 15 PHE H H 6 8.194 8.194 8.695 -0.501 18219
4706 1 10 . 1 1 16 16 GLY N N 7 107.938 107.938 106.427 1.511 18219
4707 1 10 . 1 1 16 16 GLY C C 7 171.838 171.838 175.706 -3.868 18219
4708 1 10 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.448 -0.348 18219
4709 1 10 . 1 1 16 16 GLY H H 7 8.697 8.697 8.575 0.122 18219
4710 1 10 . 1 1 17 17 TYR N N 8 121.785 121.785 123.404 -1.619 18219
4711 1 10 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.107 0.043 18219
4712 1 10 . 1 1 17 17 TYR C C 8 174.180 174.180 177.626 -3.446 18219
4713 1 10 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.249 0.051 18219
4714 1 10 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.414 -0.455 18219
4715 1 10 . 1 1 17 17 TYR H H 8 8.710 8.710 8.151 0.559 18219
4716 1 10 . 1 1 18 18 ALA N N 9 120.233 120.233 119.913 0.320 18219
4717 1 10 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.979 -0.029 18219
4718 1 10 . 1 1 18 18 ALA C C 9 178.059 178.059 178.934 -0.875 18219
4719 1 10 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.536 0.336 18219
4720 1 10 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.936 -0.374 18219
4721 1 10 . 1 1 18 18 ALA H H 9 7.843 7.843 8.407 -0.564 18219
4722 1 10 . 1 1 19 19 ALA N N 10 121.797 121.797 122.996 -1.199 18219
4723 1 10 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.089 -0.139 18219
4724 1 10 . 1 1 19 19 ALA C C 10 176.191 176.191 179.455 -3.264 18219
4725 1 10 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.912 -0.312 18219
4726 1 10 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.367 -0.805 18219
4727 1 10 . 1 1 19 19 ALA H H 10 8.212 8.212 7.956 0.256 18219
4728 1 10 . 1 1 20 20 LEU N N 11 119.442 119.442 117.762 1.680 18219
4729 1 10 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.990 -0.053 18219
4730 1 10 . 1 1 20 20 LEU C C 11 176.694 176.694 178.889 -2.195 18219
4731 1 10 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.886 -0.086 18219
4732 1 10 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.062 0.160 18219
4733 1 10 . 1 1 20 20 LEU H H 11 8.065 8.065 7.960 0.105 18219
4734 1 10 . 1 1 21 21 VAL N N 12 118.323 118.323 120.507 -2.184 18219
4735 1 10 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.580 0.060 18219
4736 1 10 . 1 1 21 21 VAL C C 12 176.536 176.536 178.538 -2.002 18219
4737 1 10 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.217 -1.817 18219
4738 1 10 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.855 0.280 18219
4739 1 10 . 1 1 21 21 VAL H H 12 8.051 8.051 8.579 -0.528 18219
4740 1 10 . 1 1 22 22 THR N N 13 118.298 118.298 116.438 1.860 18219
4741 1 10 . 1 1 22 22 THR HA H 13 4.660 4.660 4.067 0.593 18219
4742 1 10 . 1 1 22 22 THR C C 13 173.734 173.734 176.790 -3.056 18219
4743 1 10 . 1 1 22 22 THR CA C 13 66.300 66.300 66.402 -0.102 18219
4744 1 10 . 1 1 22 22 THR CB C 13 67.775 67.775 68.376 -0.601 18219
4745 1 10 . 1 1 22 22 THR H H 13 7.944 7.944 7.951 -0.007 18219
4746 1 10 . 1 1 23 23 PHE N N 14 121.328 121.328 122.434 -1.106 18219
4747 1 10 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.209 0.131 18219
4748 1 10 . 1 1 23 23 PHE C C 14 174.783 174.783 177.350 -2.567 18219
4749 1 10 . 1 1 23 23 PHE CA C 14 60.500 60.500 62.150 -1.650 18219
4750 1 10 . 1 1 23 23 PHE CB C 14 38.626 38.626 39.001 -0.375 18219
4751 1 10 . 1 1 23 23 PHE H H 14 8.567 8.567 8.468 0.099 18219
4752 1 10 . 1 1 24 24 GLY N N 15 106.871 106.871 105.429 1.442 18219
4753 1 10 . 1 1 24 24 GLY C C 15 172.858 172.858 175.955 -3.097 18219
4754 1 10 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.245 -0.345 18219
4755 1 10 . 1 1 24 24 GLY H H 15 8.475 8.475 9.014 -0.539 18219
4756 1 10 . 1 1 25 25 SER N N 16 116.214 116.214 117.035 -0.821 18219
4757 1 10 . 1 1 25 25 SER HA H 16 4.280 4.280 4.421 -0.141 18219
4758 1 10 . 1 1 25 25 SER CA C 16 60.300 60.300 61.422 -1.122 18219
4759 1 10 . 1 1 25 25 SER CB C 16 62.879 62.879 63.106 -0.227 18219
4760 1 10 . 1 1 25 25 SER H H 16 7.963 7.963 7.951 0.012 18219
4761 1 10 . 1 1 26 26 ILE N N 17 121.024 121.024 121.348 -0.324 18219
4762 1 10 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.723 0.223 18219
4763 1 10 . 1 1 26 26 ILE C C 17 173.935 173.935 177.931 -3.996 18219
4764 1 10 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.297 -1.197 18219
4765 1 10 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.348 0.759 18219
4766 1 10 . 1 1 26 26 ILE H H 17 7.676 7.676 8.083 -0.407 18219
4767 1 10 . 1 1 27 27 PHE N N 18 117.142 117.142 119.388 -2.246 18219
4768 1 10 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.122 0.308 18219
4769 1 10 . 1 1 27 27 PHE C C 18 173.504 173.504 176.953 -3.449 18219
4770 1 10 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.993 -2.493 18219
4771 1 10 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.869 -0.095 18219
4772 1 10 . 1 1 27 27 PHE H H 18 7.703 7.703 8.419 -0.716 18219
4773 1 10 . 1 1 28 28 GLY N N 19 107.303 107.303 105.691 1.612 18219
4774 1 10 . 1 1 28 28 GLY C C 19 171.593 171.593 174.607 -3.014 18219
4775 1 10 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.204 0.396 18219
4776 1 10 . 1 1 28 28 GLY H H 19 7.722 7.722 7.761 -0.039 18219
4777 1 10 . 1 1 29 29 TYR N N 20 119.862 119.862 119.469 0.393 18219
4778 1 10 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.142 0.250 18219
4779 1 10 . 1 1 29 29 TYR C C 20 173.174 173.174 175.130 -1.956 18219
4780 1 10 . 1 1 29 29 TYR CA C 20 58.500 58.500 57.987 0.513 18219
4781 1 10 . 1 1 29 29 TYR CB C 20 38.404 38.404 36.443 1.961 18219
4782 1 10 . 1 1 29 29 TYR H H 20 7.880 7.880 8.009 -0.129 18219
4783 1 10 . 1 1 30 30 LYS N N 21 122.335 122.335 121.930 0.405 18219
4784 1 10 . 1 1 30 30 LYS HA H 21 4.390 4.390 3.992 0.398 18219
4785 1 10 . 1 1 30 30 LYS C C 21 173.547 173.547 176.502 -2.955 18219
4786 1 10 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.799 -1.999 18219
4787 1 10 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.762 -0.366 18219
4788 1 10 . 1 1 30 30 LYS H H 21 7.934 7.934 8.282 -0.348 18219
4789 1 10 . 1 1 31 31 ARG N N 22 120.612 120.612 123.861 -3.249 18219
4790 1 10 . 1 1 31 31 ARG C C 22 173.547 173.547 175.327 -1.780 18219
4791 1 10 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.012 -0.178 18219
4792 1 10 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.229 -0.128 18219
4793 1 10 . 1 1 31 31 ARG H H 22 7.905 7.905 8.687 -0.782 18219
4794 1 10 . 1 1 32 32 ARG N N 23 121.748 121.748 121.699 0.049 18219
4795 1 10 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.574 -0.264 18219
4796 1 10 . 1 1 32 32 ARG C C 23 173.863 173.863 176.435 -2.572 18219
4797 1 10 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.111 -0.311 18219
4798 1 10 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.825 -0.580 18219
4799 1 10 . 1 1 32 32 ARG H H 23 8.175 8.175 8.503 -0.328 18219
4800 1 10 . 1 1 33 33 GLY N N 24 109.528 109.528 106.950 2.578 18219
4801 1 10 . 1 1 33 33 GLY C C 24 171.752 171.752 174.118 -2.366 18219
4802 1 10 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.121 0.779 18219
4803 1 10 . 1 1 33 33 GLY H H 24 8.264 8.264 8.166 0.098 18219
4804 1 10 . 1 1 34 34 GLY N N 25 108.563 108.563 108.730 -0.167 18219
4805 1 10 . 1 1 34 34 GLY C C 25 171.701 171.701 174.181 -2.480 18219
4806 1 10 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.794 -0.195 18219
4807 1 10 . 1 1 34 34 GLY H H 25 8.208 8.208 8.064 0.144 18219
4808 1 10 . 1 1 35 35 VAL N N 26 121.164 121.164 119.462 1.702 18219
4809 1 10 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.036 -0.026 18219
4810 1 10 . 1 1 35 35 VAL C C 26 175.888 175.888 175.273 0.615 18219
4811 1 10 . 1 1 35 35 VAL CA C 26 63.900 63.900 63.622 0.278 18219
4812 1 10 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.425 -0.735 18219
4813 1 10 . 1 1 35 35 VAL H H 26 8.485 8.485 8.008 0.477 18219
4814 1 10 . 1 1 36 36 PRO C C 27 177.660 177.660 176.341 1.319 18219
4815 1 10 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.535 -0.688 18219
4816 1 10 . 1 1 37 37 SER N N 28 116.023 116.023 113.115 2.908 18219
4817 1 10 . 1 1 37 37 SER HA H 28 4.280 4.280 4.545 -0.265 18219
4818 1 10 . 1 1 37 37 SER CA C 28 61.100 61.100 59.933 1.167 18219
4819 1 10 . 1 1 37 37 SER H H 28 7.948 7.948 8.386 -0.438 18219
4820 1 10 . 1 1 38 38 LEU N N 29 124.029 124.029 122.537 1.492 18219
4821 1 10 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.036 0.134 18219
4822 1 10 . 1 1 38 38 LEU C C 29 176.132 176.132 178.867 -2.735 18219
4823 1 10 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.355 -0.855 18219
4824 1 10 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.334 1.704 18219
4825 1 10 . 1 1 38 38 LEU H H 29 8.201 8.201 8.033 0.168 18219
4826 1 10 . 1 1 39 39 ILE N N 30 117.098 117.098 118.651 -1.553 18219
4827 1 10 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.748 0.622 18219
4828 1 10 . 1 1 39 39 ILE C C 30 176.478 176.478 178.084 -1.606 18219
4829 1 10 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.802 -1.722 18219
4830 1 10 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.834 0.139 18219
4831 1 10 . 1 1 39 39 ILE H H 30 7.662 7.662 8.137 -0.475 18219
4832 1 10 . 1 1 40 40 ALA N N 31 122.447 122.447 121.771 0.676 18219
4833 1 10 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.209 -0.175 18219
4834 1 10 . 1 1 40 40 ALA C C 31 177.067 177.067 179.808 -2.741 18219
4835 1 10 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.302 0.660 18219
4836 1 10 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.821 0.035 18219
4837 1 10 . 1 1 40 40 ALA H H 31 8.096 8.096 8.182 -0.086 18219
4838 1 10 . 1 1 41 41 GLY N N 32 104.056 104.056 108.122 -4.066 18219
4839 1 10 . 1 1 41 41 GLY C C 32 174.251 174.251 175.887 -1.636 18219
4840 1 10 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.769 -0.269 18219
4841 1 10 . 1 1 41 41 GLY H H 32 8.123 8.123 8.340 -0.217 18219
4842 1 10 . 1 1 42 42 LEU N N 33 123.250 123.250 123.270 -0.020 18219
4843 1 10 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.043 -0.186 18219
4844 1 10 . 1 1 42 42 LEU C C 33 176.033 176.033 178.288 -2.255 18219
4845 1 10 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.840 -1.172 18219
4846 1 10 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.013 -0.292 18219
4847 1 10 . 1 1 42 42 LEU H H 33 7.914 7.914 8.201 -0.287 18219
4848 1 10 . 1 1 43 43 PHE N N 34 119.757 119.757 119.323 0.434 18219
4849 1 10 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.137 0.063 18219
4850 1 10 . 1 1 43 43 PHE C C 34 174.374 174.374 177.143 -2.769 18219
4851 1 10 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.366 -2.490 18219
4852 1 10 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.998 -0.164 18219
4853 1 10 . 1 1 43 43 PHE H H 34 8.287 8.287 8.322 -0.035 18219
4854 1 10 . 1 1 44 44 VAL N N 35 117.791 117.791 119.048 -1.257 18219
4855 1 10 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.694 -0.084 18219
4856 1 10 . 1 1 44 44 VAL C C 35 176.205 176.205 178.637 -2.432 18219
4857 1 10 . 1 1 44 44 VAL CA C 35 64.559 64.559 65.749 -1.190 18219
4858 1 10 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.991 0.441 18219
4859 1 10 . 1 1 44 44 VAL H H 35 8.235 8.235 8.267 -0.032 18219
4860 1 10 . 1 1 45 45 GLY N N 36 108.551 108.551 107.449 1.102 18219
4861 1 10 . 1 1 45 45 GLY C C 36 173.749 173.749 175.707 -1.958 18219
4862 1 10 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.236 -1.153 18219
4863 1 10 . 1 1 45 45 GLY H H 36 8.178 8.178 8.272 -0.094 18219
4864 1 10 . 1 1 46 46 CYS N N 37 121.173 121.173 122.254 -1.081 18219
4865 1 10 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.036 0.144 18219
4866 1 10 . 1 1 46 46 CYS C C 37 173.710 173.710 176.535 -2.825 18219
4867 1 10 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.628 -0.628 18219
4868 1 10 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.757 32.526 18219
4869 1 10 . 1 1 46 46 CYS H H 37 8.253 8.253 8.039 0.214 18219
4870 1 10 . 1 1 47 47 LEU N N 38 120.283 120.283 119.862 0.421 18219
4871 1 10 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.004 0.056 18219
4872 1 10 . 1 1 47 47 LEU C C 38 176.679 176.679 178.293 -1.614 18219
4873 1 10 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.080 -2.053 18219
4874 1 10 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.720 0.744 18219
4875 1 10 . 1 1 47 47 LEU H H 38 7.965 7.965 8.380 -0.415 18219
4876 1 10 . 1 1 48 48 ALA N N 39 122.249 122.249 122.447 -0.198 18219
4877 1 10 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.951 0.191 18219
4878 1 10 . 1 1 48 48 ALA C C 39 177.915 177.915 179.536 -1.621 18219
4879 1 10 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.240 -1.523 18219
4880 1 10 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.082 -0.097 18219
4881 1 10 . 1 1 48 48 ALA H H 39 8.066 8.066 8.237 -0.171 18219
4882 1 10 . 1 1 49 49 GLY N N 40 107.377 107.377 107.537 -0.160 18219
4883 1 10 . 1 1 49 49 GLY C C 40 172.527 172.527 175.708 -3.181 18219
4884 1 10 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.785 -1.335 18219
4885 1 10 . 1 1 49 49 GLY H H 40 8.172 8.172 8.066 0.106 18219
4886 1 10 . 1 1 50 50 TYR N N 41 122.409 122.409 123.329 -0.920 18219
4887 1 10 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.221 -0.422 18219
4888 1 10 . 1 1 50 50 TYR C C 41 174.208 174.208 177.722 -3.514 18219
4889 1 10 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.769 -1.524 18219
4890 1 10 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.268 -0.332 18219
4891 1 10 . 1 1 50 50 TYR H H 41 7.800 7.800 8.465 -0.665 18219
4892 1 10 . 1 1 51 51 GLY N N 42 106.935 106.935 104.450 2.485 18219
4893 1 10 . 1 1 51 51 GLY C C 42 172.642 172.642 175.398 -2.756 18219
4894 1 10 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.667 0.598 18219
4895 1 10 . 1 1 51 51 GLY H H 42 8.199 8.199 8.382 -0.183 18219
4896 1 10 . 1 1 52 52 ALA N N 43 123.018 123.018 125.735 -2.717 18219
4897 1 10 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.036 0.114 18219
4898 1 10 . 1 1 52 52 ALA C C 43 176.398 176.398 179.273 -2.875 18219
4899 1 10 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.642 -1.759 18219
4900 1 10 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.053 0.188 18219
4901 1 10 . 1 1 52 52 ALA H H 43 7.758 7.758 7.981 -0.223 18219
4902 1 10 . 1 1 53 53 TYR N N 44 119.664 119.664 116.816 2.848 18219
4903 1 10 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.188 0.130 18219
4904 1 10 . 1 1 53 53 TYR C C 44 174.180 174.180 177.631 -3.451 18219
4905 1 10 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.780 -3.187 18219
4906 1 10 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.418 -0.226 18219
4907 1 10 . 1 1 53 53 TYR H H 44 7.920 7.920 8.145 -0.225 18219
4908 1 10 . 1 1 54 54 ARG N N 45 119.516 119.516 118.200 1.316 18219
4909 1 10 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.400 -0.470 18219
4910 1 10 . 1 1 54 54 ARG C C 45 174.423 174.423 177.556 -3.133 18219
4911 1 10 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.526 -0.499 18219
4912 1 10 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.494 -1.321 18219
4913 1 10 . 1 1 54 54 ARG H H 45 7.956 7.956 7.867 0.089 18219
4914 1 10 . 1 1 55 55 VAL N N 46 116.437 116.437 119.869 -3.432 18219
4915 1 10 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.896 0.164 18219
4916 1 10 . 1 1 55 55 VAL C C 46 173.806 173.806 175.762 -1.956 18219
4917 1 10 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.414 -1.114 18219
4918 1 10 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.226 -0.705 18219
4919 1 10 . 1 1 55 55 VAL H H 46 7.489 7.489 8.223 -0.734 18219
4920 1 10 . 1 1 56 56 SER N N 47 117.185 117.185 114.962 2.223 18219
4921 1 10 . 1 1 56 56 SER HA H 47 4.401 4.401 4.022 0.379 18219
4922 1 10 . 1 1 56 56 SER C C 47 172.074 172.074 174.023 -1.949 18219
4923 1 10 . 1 1 56 56 SER CA C 47 58.133 58.133 60.810 -2.677 18219
4924 1 10 . 1 1 56 56 SER CB C 47 63.468 63.468 63.412 0.056 18219
4925 1 10 . 1 1 56 56 SER H H 47 7.728 7.728 7.752 -0.024 18219
4926 1 10 . 1 1 57 57 ASN N N 48 121.049 121.049 124.325 -3.276 18219
4927 1 10 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.714 -0.124 18219
4928 1 10 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.342 -0.742 18219
4929 1 10 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.245 0.396 18219
4930 1 10 . 1 1 57 57 ASN H H 48 8.228 8.228 8.457 -0.229 18219
4931 1 10 . 1 1 58 58 ASP N N 49 120.276 120.276 121.595 -1.319 18219
4932 1 10 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.593 -0.063 18219
4933 1 10 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.301 -1.099 18219
4934 1 10 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.603 -1.229 18219
4935 1 10 . 1 1 58 58 ASP H H 49 8.192 8.192 8.589 -0.398 18219
4936 1 10 . 1 1 59 59 LYS N N 50 120.660 120.660 115.084 5.576 18219
4937 1 10 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.946 0.254 18219
4938 1 10 . 1 1 59 59 LYS C C 50 173.474 173.474 175.146 -1.672 18219
4939 1 10 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.878 -0.578 18219
4940 1 10 . 1 1 59 59 LYS CB C 50 32.034 32.034 30.739 1.295 18219
4941 1 10 . 1 1 59 59 LYS H H 50 8.003 8.003 8.443 -0.440 18219
4942 1 10 . 1 1 60 60 ARG N N 51 121.278 121.278 120.078 1.200 18219
4943 1 10 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.202 -0.002 18219
4944 1 10 . 1 1 60 60 ARG C C 51 173.303 173.303 174.805 -1.502 18219
4945 1 10 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.023 -0.739 18219
4946 1 10 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.780 -0.542 18219
4947 1 10 . 1 1 60 60 ARG H H 51 8.091 8.091 8.188 -0.097 18219
4948 1 10 . 1 1 61 61 ASP N N 52 121.185 121.185 120.248 0.937 18219
4949 1 10 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.660 -0.045 18219
4950 1 10 . 1 1 61 61 ASP C C 52 173.777 173.777 176.261 -2.484 18219
4951 1 10 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.370 -1.391 18219
4952 1 10 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.869 -1.624 18219
4953 1 10 . 1 1 61 61 ASP H H 52 8.261 8.261 8.363 -0.102 18219
4954 1 10 . 1 1 62 62 VAL N N 53 121.902 121.902 118.790 3.112 18219
4955 1 10 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.260 -0.310 18219
4956 1 10 . 1 1 62 62 VAL C C 53 173.279 173.279 176.975 -3.696 18219
4957 1 10 . 1 1 62 62 VAL CA C 53 63.176 63.176 62.920 0.256 18219
4958 1 10 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.313 -0.214 18219
4959 1 10 . 1 1 62 62 VAL H H 53 7.997 7.997 8.338 -0.341 18219
4960 1 10 . 1 1 63 63 LYS N N 54 123.522 123.522 122.343 1.179 18219
4961 1 10 . 1 1 63 63 LYS HA H 54 4.260 4.260 3.985 0.275 18219
4962 1 10 . 1 1 63 63 LYS C C 54 174.481 174.481 178.289 -3.808 18219
4963 1 10 . 1 1 63 63 LYS CA C 54 56.347 56.347 60.145 -3.798 18219
4964 1 10 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.019 0.080 18219
4965 1 10 . 1 1 63 63 LYS H H 54 8.054 8.054 8.003 0.051 18219
4966 1 10 . 1 1 64 64 VAL N N 55 120.647 120.647 119.050 1.597 18219
4967 1 10 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.875 0.072 18219
4968 1 10 . 1 1 64 64 VAL C C 55 174.955 174.955 177.690 -2.735 18219
4969 1 10 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.234 -0.634 18219
4970 1 10 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.964 0.913 18219
4971 1 10 . 1 1 64 64 VAL H H 55 8.225 8.225 7.979 0.246 18219
4972 1 10 . 1 1 65 65 SER N N 56 117.785 117.785 116.354 1.431 18219
4973 1 10 . 1 1 65 65 SER HA H 56 4.390 4.390 4.179 0.211 18219
4974 1 10 . 1 1 65 65 SER C C 56 172.300 172.300 176.724 -4.424 18219
4975 1 10 . 1 1 65 65 SER CA C 56 60.000 60.000 62.396 -2.396 18219
4976 1 10 . 1 1 65 65 SER CB C 56 62.879 62.879 62.917 -0.038 18219
4977 1 10 . 1 1 65 65 SER H H 56 8.260 8.260 7.978 0.282 18219
4978 1 10 . 1 1 66 66 LEU N N 57 123.318 123.318 122.658 0.660 18219
4979 1 10 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.134 -0.044 18219
4980 1 10 . 1 1 66 66 LEU C C 57 175.932 175.932 178.390 -2.458 18219
4981 1 10 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.489 -0.987 18219
4982 1 10 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.118 -0.397 18219
4983 1 10 . 1 1 66 66 LEU H H 57 8.091 8.091 8.202 -0.111 18219
4984 1 10 . 1 1 67 67 PHE N N 58 118.020 118.020 118.001 0.019 18219
4985 1 10 . 1 1 67 67 PHE HA H 58 4.330 4.330 3.932 0.398 18219
4986 1 10 . 1 1 67 67 PHE C C 58 174.912 174.912 177.779 -2.867 18219
4987 1 10 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.824 -1.224 18219
4988 1 10 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.827 -0.275 18219
4989 1 10 . 1 1 67 67 PHE H H 58 8.066 8.066 8.600 -0.534 18219
4990 1 10 . 1 1 68 68 THR N N 59 115.324 115.324 115.958 -0.634 18219
4991 1 10 . 1 1 68 68 THR HA H 59 4.310 4.310 4.162 0.148 18219
4992 1 10 . 1 1 68 68 THR C C 59 173.380 173.380 176.441 -3.061 18219
4993 1 10 . 1 1 68 68 THR CA C 59 66.313 66.313 66.546 -0.233 18219
4994 1 10 . 1 1 68 68 THR CB C 59 67.700 67.700 68.589 -0.889 18219
4995 1 10 . 1 1 68 68 THR H H 59 8.287 8.287 8.221 0.066 18219
4996 1 10 . 1 1 69 69 ALA N N 60 123.621 123.621 124.533 -0.912 18219
4997 1 10 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.083 0.197 18219
4998 1 10 . 1 1 69 69 ALA C C 60 176.978 176.978 180.102 -3.124 18219
4999 1 10 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.191 -0.092 18219
5000 1 10 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.194 -0.466 18219
5001 1 10 . 1 1 69 69 ALA H H 60 7.983 7.983 8.085 -0.102 18219
5002 1 10 . 1 1 70 70 PHE N N 61 118.520 118.520 117.922 0.598 18219
5003 1 10 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.089 0.171 18219
5004 1 10 . 1 1 70 70 PHE C C 61 175.369 175.369 177.591 -2.222 18219
5005 1 10 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.230 -2.051 18219
5006 1 10 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.687 0.020 18219
5007 1 10 . 1 1 70 70 PHE H H 61 8.007 8.007 8.575 -0.568 18219
5008 1 10 . 1 1 71 71 PHE N N 62 122.314 122.314 119.672 2.642 18219
5009 1 10 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.163 -0.163 18219
5010 1 10 . 1 1 71 71 PHE C C 62 174.697 174.697 177.699 -3.002 18219
5011 1 10 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.591 -1.074 18219
5012 1 10 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.712 0.058 18219
5013 1 10 . 1 1 71 71 PHE H H 62 8.546 8.546 8.229 0.317 18219
5014 1 10 . 1 1 72 72 LEU N N 63 119.399 119.399 119.797 -0.398 18219
5015 1 10 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.871 -0.001 18219
5016 1 10 . 1 1 72 72 LEU C C 63 175.774 175.774 179.052 -3.278 18219
5017 1 10 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.697 -1.772 18219
5018 1 10 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.503 -0.296 18219
5019 1 10 . 1 1 72 72 LEU H H 63 8.396 8.396 8.597 -0.201 18219
5020 1 10 . 1 1 73 73 ALA N N 64 120.221 120.221 121.185 -0.964 18219
5021 1 10 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.919 0.041 18219
5022 1 10 . 1 1 73 73 ALA C C 64 177.267 177.267 179.352 -2.085 18219
5023 1 10 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.548 -0.948 18219
5024 1 10 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.773 0.011 18219
5025 1 10 . 1 1 73 73 ALA H H 64 8.025 8.025 8.085 -0.060 18219
5026 1 10 . 1 1 74 74 THR N N 65 113.648 113.648 115.705 -2.057 18219
5027 1 10 . 1 1 74 74 THR HA H 65 3.980 3.980 3.899 0.081 18219
5028 1 10 . 1 1 74 74 THR CA C 65 66.291 66.291 67.097 -0.806 18219
5029 1 10 . 1 1 74 74 THR CB C 65 67.914 67.914 68.560 -0.646 18219
5030 1 10 . 1 1 74 74 THR H H 65 7.717 7.717 7.787 -0.070 18219
5031 1 10 . 1 1 75 75 ILE N N 66 120.291 120.291 120.338 -0.047 18219
5032 1 10 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.628 0.112 18219
5033 1 10 . 1 1 75 75 ILE C C 66 174.951 174.951 178.162 -3.211 18219
5034 1 10 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.751 0.128 18219
5035 1 10 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.978 -0.812 18219
5036 1 10 . 1 1 75 75 ILE H H 66 7.738 7.738 8.351 -0.613 18219
5037 1 10 . 1 1 76 76 MET N N 67 117.618 117.618 116.725 0.893 18219
5038 1 10 . 1 1 76 76 MET HA H 67 4.220 4.220 4.181 0.039 18219
5039 1 10 . 1 1 76 76 MET C C 67 175.142 175.142 178.293 -3.151 18219
5040 1 10 . 1 1 76 76 MET CA C 67 56.723 56.723 57.572 -0.849 18219
5041 1 10 . 1 1 76 76 MET CB C 67 31.951 31.951 33.026 -1.075 18219
5042 1 10 . 1 1 76 76 MET H H 67 7.823 7.823 8.278 -0.455 18219
5043 1 10 . 1 1 77 77 GLY N N 68 107.110 107.110 106.042 1.068 18219
5044 1 10 . 1 1 77 77 GLY C C 68 172.260 172.260 175.295 -3.035 18219
5045 1 10 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.880 -0.080 18219
5046 1 10 . 1 1 77 77 GLY H H 68 7.937 7.937 8.282 -0.345 18219
5047 1 10 . 1 1 78 78 VAL N N 69 120.431 120.431 117.573 2.858 18219
5048 1 10 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.757 0.463 18219
5049 1 10 . 1 1 78 78 VAL CA C 69 63.900 63.900 65.069 -1.169 18219
5050 1 10 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.320 0.186 18219
5051 1 10 . 1 1 78 78 VAL H H 69 7.697 7.697 8.324 -0.627 18219
5052 1 10 . 1 1 79 79 ARG N N 70 121.420 121.420 117.447 3.973 18219
5053 1 10 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.344 -0.534 18219
5054 1 10 . 1 1 79 79 ARG CA C 70 56.400 56.400 57.584 -1.184 18219
5055 1 10 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.542 -0.445 18219
5056 1 10 . 1 1 79 79 ARG H H 70 7.889 7.889 8.066 -0.177 18219
5057 1 10 . 1 1 80 80 PHE N N 71 119.949 119.949 117.462 2.487 18219
5058 1 10 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.542 -0.032 18219
5059 1 10 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.573 0.027 18219
5060 1 10 . 1 1 80 80 PHE CB C 71 39.145 39.145 40.585 -1.440 18219
5061 1 10 . 1 1 80 80 PHE H H 71 8.101 8.101 8.113 -0.012 18219
5062 1 10 . 1 1 81 81 LYS N N 72 122.193 122.193 120.425 1.768 18219
5063 1 10 . 1 1 81 81 LYS CA C 72 56.800 56.800 57.088 -0.288 18219
5064 1 10 . 1 1 81 81 LYS CB C 72 32.322 32.322 31.678 0.643 18219
5065 1 10 . 1 1 81 81 LYS H H 72 8.090 8.090 8.374 -0.284 18219
5066 1 10 . 1 1 82 82 ARG N N 73 119.650 119.650 119.842 -0.192 18219
5067 1 10 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.520 -0.431 18219
5068 1 10 . 1 1 82 82 ARG CB C 73 30.171 30.171 32.068 -1.897 18219
5069 1 10 . 1 1 82 82 ARG H H 73 8.052 8.052 8.161 -0.109 18219
5070 1 10 . 1 1 83 83 SER N N 74 115.734 115.734 114.157 1.577 18219
5071 1 10 . 1 1 83 83 SER CA C 74 58.355 58.355 57.895 0.460 18219
5072 1 10 . 1 1 83 83 SER CB C 74 63.404 63.404 64.596 -1.192 18219
5073 1 10 . 1 1 83 83 SER H H 74 7.912 7.912 7.777 0.135 18219
5074 1 10 . 1 1 84 84 LYS N N 75 122.370 122.370 121.613 0.757 18219
5075 1 10 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.705 -0.570 18219
5076 1 10 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.808 0.367 18219
5077 1 10 . 1 1 84 84 LYS H H 75 8.067 8.067 8.688 -0.621 18219
5078 1 10 . 1 1 86 86 ILE N N 77 119.592 119.592 121.094 -1.502 18219
5079 1 10 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.791 0.019 18219
5080 1 10 . 1 1 86 86 ILE CA C 77 64.900 64.900 63.356 1.544 18219
5081 1 10 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.611 0.534 18219
5082 1 10 . 1 1 86 86 ILE H H 77 7.837 7.837 8.628 -0.791 18219
5083 1 10 . 1 1 87 87 MET N N 78 121.645 121.645 118.947 2.698 18219
5084 1 10 . 1 1 87 87 MET CA C 78 52.982 52.982 60.196 -7.214 18219
5085 1 10 . 1 1 87 87 MET CB C 78 32.173 32.173 30.939 1.234 18219
5086 1 10 . 1 1 87 87 MET H H 78 7.950 7.950 8.107 -0.157 18219
5087 1 10 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.556 -0.416 18219
5088 1 10 . 1 1 88 88 PRO C C 79 173.921 173.921 175.865 -1.944 18219
5089 1 10 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.383 0.417 18219
5090 1 10 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.317 1.819 18219
5091 1 10 . 1 1 89 89 ALA N N 80 124.431 124.431 123.556 0.875 18219
5092 1 10 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.194 0.206 18219
5093 1 10 . 1 1 89 89 ALA C C 80 176.234 176.234 178.959 -2.725 18219
5094 1 10 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.106 -1.806 18219
5095 1 10 . 1 1 89 89 ALA CB C 80 18.498 18.498 19.077 -0.579 18219
5096 1 10 . 1 1 89 89 ALA H H 80 8.320 8.320 8.326 -0.006 18219
5097 1 10 . 1 1 90 90 GLY N N 81 106.834 106.834 106.142 0.692 18219
5098 1 10 . 1 1 90 90 GLY C C 81 172.398 172.398 175.492 -3.094 18219
5099 1 10 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.940 -1.339 18219
5100 1 10 . 1 1 90 90 GLY H H 81 8.458 8.458 8.668 -0.210 18219
5101 1 10 . 1 1 91 91 LEU N N 82 121.043 121.043 121.282 -0.239 18219
5102 1 10 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.950 0.250 18219
5103 1 10 . 1 1 91 91 LEU C C 82 174.783 174.783 178.712 -3.929 18219
5104 1 10 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.194 -1.894 18219
5105 1 10 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.212 -0.106 18219
5106 1 10 . 1 1 91 91 LEU H H 82 7.687 7.687 7.417 0.270 18219
5107 1 10 . 1 1 92 92 VAL N N 83 114.737 114.737 118.541 -3.804 18219
5108 1 10 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.593 0.387 18219
5109 1 10 . 1 1 92 92 VAL C C 83 173.634 173.634 177.903 -4.269 18219
5110 1 10 . 1 1 92 92 VAL CA C 83 62.400 62.400 67.373 -4.973 18219
5111 1 10 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.444 0.141 18219
5112 1 10 . 1 1 92 92 VAL H H 83 7.602 7.602 7.481 0.121 18219
5113 1 10 . 1 1 93 93 ALA N N 84 124.320 124.320 120.974 3.346 18219
5114 1 10 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.991 0.159 18219
5115 1 10 . 1 1 93 93 ALA C C 84 175.746 175.746 179.813 -4.067 18219
5116 1 10 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.369 -2.069 18219
5117 1 10 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.796 0.445 18219
5118 1 10 . 1 1 93 93 ALA H H 84 7.891 7.891 8.256 -0.365 18219
5119 1 10 . 1 1 94 94 GLY N N 85 106.807 106.807 107.381 -0.574 18219
5120 1 10 . 1 1 94 94 GLY C C 85 171.752 171.752 175.923 -4.171 18219
5121 1 10 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.667 -1.419 18219
5122 1 10 . 1 1 94 94 GLY H H 85 8.204 8.204 7.859 0.345 18219
5123 1 10 . 1 1 95 95 LEU N N 86 121.266 121.266 121.956 -0.690 18219
5124 1 10 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.086 0.294 18219
5125 1 10 . 1 1 95 95 LEU C C 86 173.702 173.702 178.810 -5.108 18219
5126 1 10 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.582 -2.582 18219
5127 1 10 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.026 1.272 18219
5128 1 10 . 1 1 95 95 LEU H H 86 7.718 7.718 7.990 -0.272 18219
5129 1 10 . 1 1 96 96 SER N N 87 115.658 115.658 115.418 0.240 18219
5130 1 10 . 1 1 96 96 SER HA H 87 4.370 4.370 4.131 0.239 18219
5131 1 10 . 1 1 96 96 SER C C 87 172.479 172.479 176.904 -4.425 18219
5132 1 10 . 1 1 96 96 SER CA C 87 57.200 57.200 62.254 -5.054 18219
5133 1 10 . 1 1 96 96 SER CB C 87 64.174 64.174 63.199 0.976 18219
5134 1 10 . 1 1 96 96 SER H H 87 7.659 7.659 8.165 -0.506 18219
5135 1 10 . 1 1 97 97 LEU N N 88 123.720 123.720 122.578 1.142 18219
5136 1 10 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.962 0.638 18219
5137 1 10 . 1 1 97 97 LEU C C 88 175.932 175.932 178.993 -3.061 18219
5138 1 10 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.825 -0.225 18219
5139 1 10 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.992 -0.592 18219
5140 1 10 . 1 1 97 97 LEU H H 88 8.733 8.733 8.209 0.524 18219
5141 1 10 . 1 1 98 98 MET N N 89 116.684 116.684 120.042 -3.358 18219
5142 1 10 . 1 1 98 98 MET HA H 89 4.280 4.280 4.037 0.243 18219
5143 1 10 . 1 1 98 98 MET C C 89 175.789 175.789 177.952 -2.163 18219
5144 1 10 . 1 1 98 98 MET CA C 89 56.915 56.915 59.196 -2.281 18219
5145 1 10 . 1 1 98 98 MET CB C 89 31.007 31.007 32.846 -1.839 18219
5146 1 10 . 1 1 98 98 MET H H 89 8.342 8.342 8.265 0.077 18219
5147 1 10 . 1 1 99 99 MET N N 90 119.182 119.182 117.292 1.890 18219
5148 1 10 . 1 1 99 99 MET HA H 90 4.110 4.110 4.171 -0.061 18219
5149 1 10 . 1 1 99 99 MET C C 90 175.588 175.588 178.798 -3.210 18219
5150 1 10 . 1 1 99 99 MET CA C 90 57.951 57.951 58.678 -0.727 18219
5151 1 10 . 1 1 99 99 MET CB C 90 32.226 32.226 32.116 0.110 18219
5152 1 10 . 1 1 99 99 MET H H 90 7.720 7.720 8.219 -0.499 18219
5153 1 10 . 1 1 100 100 ILE N N 91 119.077 119.077 120.234 -1.157 18219
5154 1 10 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.967 0.143 18219
5155 1 10 . 1 1 100 100 ILE C C 91 174.634 174.634 178.107 -3.473 18219
5156 1 10 . 1 1 100 100 ILE CA C 91 64.100 64.100 63.643 0.457 18219
5157 1 10 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.250 -0.107 18219
5158 1 10 . 1 1 100 100 ILE H H 91 7.662 7.662 8.299 -0.637 18219
5159 1 10 . 1 1 101 101 LEU N N 92 119.646 119.646 118.678 0.968 18219
5160 1 10 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.292 0.238 18219
5161 1 10 . 1 1 101 101 LEU C C 92 175.430 175.430 178.467 -3.037 18219
5162 1 10 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.329 0.471 18219
5163 1 10 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.535 -0.777 18219
5164 1 10 . 1 1 101 101 LEU H H 92 8.142 8.142 7.860 0.282 18219
5165 1 10 . 1 1 102 102 ARG N N 93 116.394 116.394 120.063 -3.669 18219
5166 1 10 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.250 -0.110 18219
5167 1 10 . 1 1 102 102 ARG C C 93 175.961 175.961 178.372 -2.411 18219
5168 1 10 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.962 0.138 18219
5169 1 10 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.576 -1.172 18219
5170 1 10 . 1 1 102 102 ARG H H 93 7.893 7.893 8.259 -0.366 18219
5171 1 10 . 1 1 103 103 LEU N N 94 119.114 119.114 120.183 -1.069 18219
5172 1 10 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.104 0.006 18219
5173 1 10 . 1 1 103 103 LEU C C 94 175.889 175.889 178.004 -2.115 18219
5174 1 10 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.493 -0.193 18219
5175 1 10 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.943 -0.647 18219
5176 1 10 . 1 1 103 103 LEU H H 94 7.622 7.622 8.001 -0.379 18219
5177 1 10 . 1 1 104 104 VAL N N 95 117.704 117.704 117.686 0.018 18219
5178 1 10 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.795 -0.265 18219
5179 1 10 . 1 1 104 104 VAL C C 95 175.042 175.042 177.755 -2.713 18219
5180 1 10 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.149 1.270 18219
5181 1 10 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.964 -0.607 18219
5182 1 10 . 1 1 104 104 VAL H H 95 8.026 8.026 7.699 0.327 18219
5183 1 10 . 1 1 105 105 LEU N N 96 117.185 117.185 116.598 0.587 18219
5184 1 10 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.167 -0.187 18219
5185 1 10 . 1 1 105 105 LEU C C 96 176.579 176.579 177.665 -1.086 18219
5186 1 10 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.838 -0.038 18219
5187 1 10 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.279 -1.328 18219
5188 1 10 . 1 1 105 105 LEU H H 96 7.893 7.893 7.421 0.472 18219
5189 1 10 . 1 1 106 106 LEU N N 97 118.471 118.471 113.990 4.481 18219
5190 1 10 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.858 0.322 18219
5191 1 10 . 1 1 106 106 LEU C C 97 175.802 175.802 176.365 -0.563 18219
5192 1 10 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.532 0.768 18219
5193 1 10 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.380 1.212 18219
5194 1 10 . 1 1 106 106 LEU H H 97 7.545 7.545 7.453 0.092 18219
5195 1 10 . 1 1 107 107 LEU N N 98 118.162 118.162 111.486 6.676 18219
5196 1 10 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.823 0.407 18219
5197 1 10 . 1 1 107 107 LEU C C 98 174.174 174.174 177.948 -3.774 18219
5198 1 10 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.421 0.862 18219
5199 1 10 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.546 2.816 18219
5200 1 10 . 1 1 107 107 LEU H H 98 7.688 7.688 8.121 -0.433 18219
5201 1 11 . 1 1 11 11 ASP N N 2 120.536 120.536 122.843 -2.307 18219
5202 1 11 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.814 2.104 18219
5203 1 11 . 1 1 11 11 ASP CB C 2 37.959 37.959 42.951 -4.992 18219
5204 1 11 . 1 1 11 11 ASP H H 2 7.863 7.863 8.451 -0.588 18219
5205 1 11 . 1 1 12 12 LEU N N 3 121.414 121.414 124.357 -2.943 18219
5206 1 11 . 1 1 12 12 LEU C C 3 176.162 176.162 178.904 -2.742 18219
5207 1 11 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.423 2.177 18219
5208 1 11 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.340 -0.683 18219
5209 1 11 . 1 1 12 12 LEU H H 3 8.285 8.285 8.639 -0.354 18219
5210 1 11 . 1 1 13 13 ILE N N 4 118.854 118.854 118.247 0.607 18219
5211 1 11 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.773 -0.033 18219
5212 1 11 . 1 1 13 13 ILE C C 4 175.228 175.228 177.814 -2.586 18219
5213 1 11 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.305 1.195 18219
5214 1 11 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.441 -1.339 18219
5215 1 11 . 1 1 13 13 ILE H H 4 8.031 8.031 8.210 -0.179 18219
5216 1 11 . 1 1 14 14 GLY N N 5 107.478 107.478 106.891 0.587 18219
5217 1 11 . 1 1 14 14 GLY C C 5 174.424 174.424 175.633 -1.209 18219
5218 1 11 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.387 0.672 18219
5219 1 11 . 1 1 14 14 GLY H H 5 8.148 8.148 8.496 -0.348 18219
5220 1 11 . 1 1 15 15 PHE N N 6 122.774 122.774 123.773 -0.999 18219
5221 1 11 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.307 0.173 18219
5222 1 11 . 1 1 15 15 PHE C C 6 175.113 175.113 176.990 -1.877 18219
5223 1 11 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.936 -1.919 18219
5224 1 11 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.504 0.270 18219
5225 1 11 . 1 1 15 15 PHE H H 6 8.194 8.194 7.932 0.262 18219
5226 1 11 . 1 1 16 16 GLY N N 7 107.938 107.938 106.292 1.646 18219
5227 1 11 . 1 1 16 16 GLY C C 7 171.838 171.838 175.663 -3.825 18219
5228 1 11 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.326 -0.226 18219
5229 1 11 . 1 1 16 16 GLY H H 7 8.697 8.697 8.666 0.031 18219
5230 1 11 . 1 1 17 17 TYR N N 8 121.785 121.785 123.599 -1.814 18219
5231 1 11 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.141 0.009 18219
5232 1 11 . 1 1 17 17 TYR C C 8 174.180 174.180 177.605 -3.425 18219
5233 1 11 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.422 -0.122 18219
5234 1 11 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.489 -0.530 18219
5235 1 11 . 1 1 17 17 TYR H H 8 8.710 8.710 8.193 0.517 18219
5236 1 11 . 1 1 18 18 ALA N N 9 120.233 120.233 120.617 -0.384 18219
5237 1 11 . 1 1 18 18 ALA HA H 9 3.950 3.950 4.020 -0.070 18219
5238 1 11 . 1 1 18 18 ALA C C 9 178.059 178.059 178.892 -0.833 18219
5239 1 11 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.552 0.320 18219
5240 1 11 . 1 1 18 18 ALA CB C 9 17.562 17.562 18.171 -0.609 18219
5241 1 11 . 1 1 18 18 ALA H H 9 7.843 7.843 8.681 -0.838 18219
5242 1 11 . 1 1 19 19 ALA N N 10 121.797 121.797 122.880 -1.083 18219
5243 1 11 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.988 -0.038 18219
5244 1 11 . 1 1 19 19 ALA C C 10 176.191 176.191 179.459 -3.268 18219
5245 1 11 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.899 -0.299 18219
5246 1 11 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.328 -0.766 18219
5247 1 11 . 1 1 19 19 ALA H H 10 8.212 8.212 8.117 0.095 18219
5248 1 11 . 1 1 20 20 LEU N N 11 119.442 119.442 117.476 1.966 18219
5249 1 11 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.957 -0.020 18219
5250 1 11 . 1 1 20 20 LEU C C 11 176.694 176.694 178.711 -2.017 18219
5251 1 11 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.957 -0.157 18219
5252 1 11 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.100 0.122 18219
5253 1 11 . 1 1 20 20 LEU H H 11 8.065 8.065 8.450 -0.385 18219
5254 1 11 . 1 1 21 21 VAL N N 12 118.323 118.323 120.354 -2.031 18219
5255 1 11 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.485 0.155 18219
5256 1 11 . 1 1 21 21 VAL C C 12 176.536 176.536 178.358 -1.822 18219
5257 1 11 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.794 -1.394 18219
5258 1 11 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.251 -0.116 18219
5259 1 11 . 1 1 21 21 VAL H H 12 8.051 8.051 8.247 -0.196 18219
5260 1 11 . 1 1 22 22 THR N N 13 118.298 118.298 116.313 1.985 18219
5261 1 11 . 1 1 22 22 THR HA H 13 4.660 4.660 4.039 0.621 18219
5262 1 11 . 1 1 22 22 THR C C 13 173.734 173.734 176.613 -2.879 18219
5263 1 11 . 1 1 22 22 THR CA C 13 66.300 66.300 66.245 0.055 18219
5264 1 11 . 1 1 22 22 THR CB C 13 67.775 67.775 68.367 -0.592 18219
5265 1 11 . 1 1 22 22 THR H H 13 7.944 7.944 7.909 0.035 18219
5266 1 11 . 1 1 23 23 PHE N N 14 121.328 121.328 122.657 -1.329 18219
5267 1 11 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.236 0.104 18219
5268 1 11 . 1 1 23 23 PHE C C 14 174.783 174.783 177.229 -2.446 18219
5269 1 11 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.833 -1.333 18219
5270 1 11 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.865 -0.239 18219
5271 1 11 . 1 1 23 23 PHE H H 14 8.567 8.567 8.436 0.131 18219
5272 1 11 . 1 1 24 24 GLY N N 15 106.871 106.871 105.336 1.535 18219
5273 1 11 . 1 1 24 24 GLY C C 15 172.858 172.858 176.795 -3.937 18219
5274 1 11 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.150 -0.250 18219
5275 1 11 . 1 1 24 24 GLY H H 15 8.475 8.475 8.961 -0.486 18219
5276 1 11 . 1 1 25 25 SER N N 16 116.214 116.214 118.002 -1.788 18219
5277 1 11 . 1 1 25 25 SER HA H 16 4.280 4.280 4.251 0.029 18219
5278 1 11 . 1 1 25 25 SER CA C 16 60.300 60.300 61.972 -1.672 18219
5279 1 11 . 1 1 25 25 SER CB C 16 62.879 62.879 63.314 -0.435 18219
5280 1 11 . 1 1 25 25 SER H H 16 7.963 7.963 7.925 0.038 18219
5281 1 11 . 1 1 26 26 ILE N N 17 121.024 121.024 121.778 -0.754 18219
5282 1 11 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.672 0.274 18219
5283 1 11 . 1 1 26 26 ILE C C 17 173.935 173.935 178.286 -4.351 18219
5284 1 11 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.547 -1.447 18219
5285 1 11 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.178 -0.072 18219
5286 1 11 . 1 1 26 26 ILE H H 17 7.676 7.676 7.927 -0.251 18219
5287 1 11 . 1 1 27 27 PHE N N 18 117.142 117.142 119.128 -1.986 18219
5288 1 11 . 1 1 27 27 PHE HA H 18 4.430 4.430 3.951 0.479 18219
5289 1 11 . 1 1 27 27 PHE C C 18 173.504 173.504 176.391 -2.887 18219
5290 1 11 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.537 -2.037 18219
5291 1 11 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.316 -0.542 18219
5292 1 11 . 1 1 27 27 PHE H H 18 7.703 7.703 8.099 -0.396 18219
5293 1 11 . 1 1 28 28 GLY N N 19 107.303 107.303 106.462 0.841 18219
5294 1 11 . 1 1 28 28 GLY C C 19 171.593 171.593 174.399 -2.806 18219
5295 1 11 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.761 -0.161 18219
5296 1 11 . 1 1 28 28 GLY H H 19 7.722 7.722 7.753 -0.031 18219
5297 1 11 . 1 1 29 29 TYR N N 20 119.862 119.862 117.132 2.730 18219
5298 1 11 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.247 0.145 18219
5299 1 11 . 1 1 29 29 TYR C C 20 173.174 173.174 174.966 -1.792 18219
5300 1 11 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.110 0.390 18219
5301 1 11 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.684 0.721 18219
5302 1 11 . 1 1 29 29 TYR H H 20 7.880 7.880 8.443 -0.563 18219
5303 1 11 . 1 1 30 30 LYS N N 21 122.335 122.335 122.166 0.169 18219
5304 1 11 . 1 1 30 30 LYS HA H 21 4.390 4.390 3.911 0.479 18219
5305 1 11 . 1 1 30 30 LYS C C 21 173.547 173.547 176.986 -3.439 18219
5306 1 11 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.002 -1.202 18219
5307 1 11 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.832 -0.436 18219
5308 1 11 . 1 1 30 30 LYS H H 21 7.934 7.934 8.248 -0.314 18219
5309 1 11 . 1 1 31 31 ARG N N 22 120.612 120.612 126.518 -5.906 18219
5310 1 11 . 1 1 31 31 ARG C C 22 173.547 173.547 176.086 -2.539 18219
5311 1 11 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.461 0.374 18219
5312 1 11 . 1 1 31 31 ARG CB C 22 30.101 30.101 29.970 0.131 18219
5313 1 11 . 1 1 31 31 ARG H H 22 7.905 7.905 8.573 -0.668 18219
5314 1 11 . 1 1 32 32 ARG N N 23 121.748 121.748 124.520 -2.772 18219
5315 1 11 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.187 0.123 18219
5316 1 11 . 1 1 32 32 ARG C C 23 173.863 173.863 176.525 -2.662 18219
5317 1 11 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.983 -1.183 18219
5318 1 11 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.756 -0.510 18219
5319 1 11 . 1 1 32 32 ARG H H 23 8.175 8.175 8.260 -0.085 18219
5320 1 11 . 1 1 33 33 GLY N N 24 109.528 109.528 103.732 5.796 18219
5321 1 11 . 1 1 33 33 GLY C C 24 171.752 171.752 173.754 -2.002 18219
5322 1 11 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.824 0.076 18219
5323 1 11 . 1 1 33 33 GLY H H 24 8.264 8.264 7.478 0.786 18219
5324 1 11 . 1 1 34 34 GLY N N 25 108.563 108.563 110.056 -1.493 18219
5325 1 11 . 1 1 34 34 GLY C C 25 171.701 171.701 174.275 -2.574 18219
5326 1 11 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.894 -1.294 18219
5327 1 11 . 1 1 34 34 GLY H H 25 8.208 8.208 7.803 0.405 18219
5328 1 11 . 1 1 35 35 VAL N N 26 121.164 121.164 121.516 -0.352 18219
5329 1 11 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.159 -0.149 18219
5330 1 11 . 1 1 35 35 VAL C C 26 175.888 175.888 174.578 1.310 18219
5331 1 11 . 1 1 35 35 VAL CA C 26 63.900 63.900 63.638 0.262 18219
5332 1 11 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.438 -0.748 18219
5333 1 11 . 1 1 35 35 VAL H H 26 8.485 8.485 8.427 0.058 18219
5334 1 11 . 1 1 36 36 PRO C C 27 177.660 177.660 176.275 1.385 18219
5335 1 11 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.934 -1.087 18219
5336 1 11 . 1 1 37 37 SER N N 28 116.023 116.023 118.278 -2.255 18219
5337 1 11 . 1 1 37 37 SER HA H 28 4.280 4.280 4.340 -0.060 18219
5338 1 11 . 1 1 37 37 SER CA C 28 61.100 61.100 59.951 1.149 18219
5339 1 11 . 1 1 37 37 SER H H 28 7.948 7.948 8.662 -0.714 18219
5340 1 11 . 1 1 38 38 LEU N N 29 124.029 124.029 121.988 2.041 18219
5341 1 11 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.264 -0.094 18219
5342 1 11 . 1 1 38 38 LEU C C 29 176.132 176.132 178.827 -2.695 18219
5343 1 11 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.065 -0.564 18219
5344 1 11 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.929 1.109 18219
5345 1 11 . 1 1 38 38 LEU H H 29 8.201 8.201 7.948 0.253 18219
5346 1 11 . 1 1 39 39 ILE N N 30 117.098 117.098 119.643 -2.545 18219
5347 1 11 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.797 0.573 18219
5348 1 11 . 1 1 39 39 ILE C C 30 176.478 176.478 177.823 -1.345 18219
5349 1 11 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.796 -0.717 18219
5350 1 11 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.898 0.075 18219
5351 1 11 . 1 1 39 39 ILE H H 30 7.662 7.662 8.181 -0.519 18219
5352 1 11 . 1 1 40 40 ALA N N 31 122.447 122.447 121.991 0.456 18219
5353 1 11 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.078 -0.044 18219
5354 1 11 . 1 1 40 40 ALA C C 31 177.067 177.067 179.767 -2.700 18219
5355 1 11 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.342 0.620 18219
5356 1 11 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.124 -0.268 18219
5357 1 11 . 1 1 40 40 ALA H H 31 8.096 8.096 7.668 0.428 18219
5358 1 11 . 1 1 41 41 GLY N N 32 104.056 104.056 107.677 -3.621 18219
5359 1 11 . 1 1 41 41 GLY C C 32 174.251 174.251 175.856 -1.605 18219
5360 1 11 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.818 -0.318 18219
5361 1 11 . 1 1 41 41 GLY H H 32 8.123 8.123 8.215 -0.092 18219
5362 1 11 . 1 1 42 42 LEU N N 33 123.250 123.250 123.303 -0.053 18219
5363 1 11 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.971 -0.114 18219
5364 1 11 . 1 1 42 42 LEU C C 33 176.033 176.033 178.529 -2.496 18219
5365 1 11 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.184 -1.516 18219
5366 1 11 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.036 -0.315 18219
5367 1 11 . 1 1 42 42 LEU H H 33 7.914 7.914 8.161 -0.247 18219
5368 1 11 . 1 1 43 43 PHE N N 34 119.757 119.757 118.951 0.806 18219
5369 1 11 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.032 0.168 18219
5370 1 11 . 1 1 43 43 PHE C C 34 174.374 174.374 177.485 -3.111 18219
5371 1 11 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.326 -2.450 18219
5372 1 11 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.056 -0.222 18219
5373 1 11 . 1 1 43 43 PHE H H 34 8.287 8.287 8.275 0.012 18219
5374 1 11 . 1 1 44 44 VAL N N 35 117.791 117.791 118.511 -0.720 18219
5375 1 11 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.624 -0.014 18219
5376 1 11 . 1 1 44 44 VAL C C 35 176.205 176.205 178.254 -2.049 18219
5377 1 11 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.852 -2.293 18219
5378 1 11 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.573 -0.141 18219
5379 1 11 . 1 1 44 44 VAL H H 35 8.235 8.235 8.451 -0.216 18219
5380 1 11 . 1 1 45 45 GLY N N 36 108.551 108.551 105.744 2.807 18219
5381 1 11 . 1 1 45 45 GLY C C 36 173.749 173.749 175.626 -1.877 18219
5382 1 11 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.059 -0.976 18219
5383 1 11 . 1 1 45 45 GLY H H 36 8.178 8.178 8.502 -0.324 18219
5384 1 11 . 1 1 46 46 CYS N N 37 121.173 121.173 122.441 -1.268 18219
5385 1 11 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.186 -0.006 18219
5386 1 11 . 1 1 46 46 CYS C C 37 173.710 173.710 176.532 -2.822 18219
5387 1 11 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.318 -0.318 18219
5388 1 11 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.519 32.764 18219
5389 1 11 . 1 1 46 46 CYS H H 37 8.253 8.253 7.667 0.586 18219
5390 1 11 . 1 1 47 47 LEU N N 38 120.283 120.283 120.837 -0.554 18219
5391 1 11 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.061 -0.001 18219
5392 1 11 . 1 1 47 47 LEU C C 38 176.679 176.679 178.301 -1.622 18219
5393 1 11 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.341 -2.314 18219
5394 1 11 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.927 0.537 18219
5395 1 11 . 1 1 47 47 LEU H H 38 7.965 7.965 8.420 -0.455 18219
5396 1 11 . 1 1 48 48 ALA N N 39 122.249 122.249 121.904 0.345 18219
5397 1 11 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.994 0.148 18219
5398 1 11 . 1 1 48 48 ALA C C 39 177.915 177.915 179.703 -1.788 18219
5399 1 11 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.580 -1.863 18219
5400 1 11 . 1 1 48 48 ALA CB C 39 17.985 17.985 17.829 0.156 18219
5401 1 11 . 1 1 48 48 ALA H H 39 8.066 8.066 8.489 -0.423 18219
5402 1 11 . 1 1 49 49 GLY N N 40 107.377 107.377 107.042 0.335 18219
5403 1 11 . 1 1 49 49 GLY C C 40 172.527 172.527 175.758 -3.231 18219
5404 1 11 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.844 -1.395 18219
5405 1 11 . 1 1 49 49 GLY H H 40 8.172 8.172 8.024 0.148 18219
5406 1 11 . 1 1 50 50 TYR N N 41 122.409 122.409 123.688 -1.279 18219
5407 1 11 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.988 -0.189 18219
5408 1 11 . 1 1 50 50 TYR C C 41 174.208 174.208 177.602 -3.394 18219
5409 1 11 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.228 -1.983 18219
5410 1 11 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.562 -0.626 18219
5411 1 11 . 1 1 50 50 TYR H H 41 7.800 7.800 8.375 -0.575 18219
5412 1 11 . 1 1 51 51 GLY N N 42 106.935 106.935 105.996 0.939 18219
5413 1 11 . 1 1 51 51 GLY C C 42 172.642 172.642 175.506 -2.864 18219
5414 1 11 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.759 0.506 18219
5415 1 11 . 1 1 51 51 GLY H H 42 8.199 8.199 8.156 0.043 18219
5416 1 11 . 1 1 52 52 ALA N N 43 123.018 123.018 126.274 -3.256 18219
5417 1 11 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.076 0.074 18219
5418 1 11 . 1 1 52 52 ALA C C 43 176.398 176.398 179.853 -3.455 18219
5419 1 11 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.536 -1.653 18219
5420 1 11 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.161 0.080 18219
5421 1 11 . 1 1 52 52 ALA H H 43 7.758 7.758 8.387 -0.629 18219
5422 1 11 . 1 1 53 53 TYR N N 44 119.664 119.664 120.190 -0.526 18219
5423 1 11 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.036 0.282 18219
5424 1 11 . 1 1 53 53 TYR C C 44 174.180 174.180 177.550 -3.370 18219
5425 1 11 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.547 -2.954 18219
5426 1 11 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.511 -0.320 18219
5427 1 11 . 1 1 53 53 TYR H H 44 7.920 7.920 8.274 -0.354 18219
5428 1 11 . 1 1 54 54 ARG N N 45 119.516 119.516 114.651 4.865 18219
5429 1 11 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.513 -0.583 18219
5430 1 11 . 1 1 54 54 ARG C C 45 174.423 174.423 176.319 -1.896 18219
5431 1 11 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.092 -0.065 18219
5432 1 11 . 1 1 54 54 ARG CB C 45 30.173 30.173 32.043 -1.870 18219
5433 1 11 . 1 1 54 54 ARG H H 45 7.956 7.956 8.008 -0.052 18219
5434 1 11 . 1 1 55 55 VAL N N 46 116.437 116.437 119.384 -2.947 18219
5435 1 11 . 1 1 55 55 VAL HA H 46 4.060 4.060 4.179 -0.119 18219
5436 1 11 . 1 1 55 55 VAL C C 46 173.806 173.806 174.794 -0.988 18219
5437 1 11 . 1 1 55 55 VAL CA C 46 62.300 62.300 62.361 -0.061 18219
5438 1 11 . 1 1 55 55 VAL CB C 46 31.521 31.521 33.190 -1.669 18219
5439 1 11 . 1 1 55 55 VAL H H 46 7.489 7.489 8.350 -0.861 18219
5440 1 11 . 1 1 56 56 SER N N 47 117.185 117.185 113.762 3.423 18219
5441 1 11 . 1 1 56 56 SER HA H 47 4.401 4.401 4.424 -0.023 18219
5442 1 11 . 1 1 56 56 SER C C 47 172.074 172.074 175.611 -3.537 18219
5443 1 11 . 1 1 56 56 SER CA C 47 58.133 58.133 59.919 -1.786 18219
5444 1 11 . 1 1 56 56 SER CB C 47 63.468 63.468 63.774 -0.306 18219
5445 1 11 . 1 1 56 56 SER H H 47 7.728 7.728 7.766 -0.038 18219
5446 1 11 . 1 1 57 57 ASN N N 48 121.049 121.049 124.793 -3.744 18219
5447 1 11 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.414 0.176 18219
5448 1 11 . 1 1 57 57 ASN CA C 48 53.600 53.600 56.426 -2.826 18219
5449 1 11 . 1 1 57 57 ASN CB C 48 38.641 38.641 37.060 1.581 18219
5450 1 11 . 1 1 57 57 ASN H H 48 8.228 8.228 9.466 -1.238 18219
5451 1 11 . 1 1 58 58 ASP N N 49 120.276 120.276 122.405 -2.129 18219
5452 1 11 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.552 -0.022 18219
5453 1 11 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.409 -1.207 18219
5454 1 11 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.753 -1.379 18219
5455 1 11 . 1 1 58 58 ASP H H 49 8.192 8.192 8.446 -0.254 18219
5456 1 11 . 1 1 59 59 LYS N N 50 120.660 120.660 116.271 4.389 18219
5457 1 11 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.512 -0.312 18219
5458 1 11 . 1 1 59 59 LYS C C 50 173.474 173.474 174.495 -1.021 18219
5459 1 11 . 1 1 59 59 LYS CA C 50 56.300 56.300 54.797 1.503 18219
5460 1 11 . 1 1 59 59 LYS CB C 50 32.034 32.034 35.984 -3.950 18219
5461 1 11 . 1 1 59 59 LYS H H 50 8.003 8.003 7.598 0.405 18219
5462 1 11 . 1 1 60 60 ARG N N 51 121.278 121.278 118.674 2.604 18219
5463 1 11 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.062 0.138 18219
5464 1 11 . 1 1 60 60 ARG C C 51 173.303 173.303 175.234 -1.931 18219
5465 1 11 . 1 1 60 60 ARG CA C 51 56.283 56.283 58.010 -1.727 18219
5466 1 11 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.542 -0.304 18219
5467 1 11 . 1 1 60 60 ARG H H 51 8.091 8.091 8.468 -0.377 18219
5468 1 11 . 1 1 61 61 ASP N N 52 121.185 121.185 117.261 3.924 18219
5469 1 11 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.722 -0.107 18219
5470 1 11 . 1 1 61 61 ASP C C 52 173.777 173.777 177.309 -3.532 18219
5471 1 11 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.851 -1.872 18219
5472 1 11 . 1 1 61 61 ASP CB C 52 40.245 40.245 42.012 -1.767 18219
5473 1 11 . 1 1 61 61 ASP H H 52 8.261 8.261 8.569 -0.308 18219
5474 1 11 . 1 1 62 62 VAL N N 53 121.902 121.902 120.024 1.878 18219
5475 1 11 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.978 -0.028 18219
5476 1 11 . 1 1 62 62 VAL C C 53 173.279 173.279 177.273 -3.994 18219
5477 1 11 . 1 1 62 62 VAL CA C 53 63.176 63.176 65.515 -2.339 18219
5478 1 11 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.291 -0.192 18219
5479 1 11 . 1 1 62 62 VAL H H 53 7.997 7.997 8.231 -0.234 18219
5480 1 11 . 1 1 63 63 LYS N N 54 123.522 123.522 120.771 2.751 18219
5481 1 11 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.184 0.076 18219
5482 1 11 . 1 1 63 63 LYS C C 54 174.481 174.481 178.796 -4.315 18219
5483 1 11 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.502 -3.155 18219
5484 1 11 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.546 0.553 18219
5485 1 11 . 1 1 63 63 LYS H H 54 8.054 8.054 8.307 -0.253 18219
5486 1 11 . 1 1 64 64 VAL N N 55 120.647 120.647 118.094 2.553 18219
5487 1 11 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.954 -0.007 18219
5488 1 11 . 1 1 64 64 VAL C C 55 174.955 174.955 177.774 -2.819 18219
5489 1 11 . 1 1 64 64 VAL CA C 55 64.600 64.600 64.959 -0.359 18219
5490 1 11 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.102 0.774 18219
5491 1 11 . 1 1 64 64 VAL H H 55 8.225 8.225 8.122 0.103 18219
5492 1 11 . 1 1 65 65 SER N N 56 117.785 117.785 116.606 1.179 18219
5493 1 11 . 1 1 65 65 SER HA H 56 4.390 4.390 4.264 0.126 18219
5494 1 11 . 1 1 65 65 SER C C 56 172.300 172.300 176.781 -4.481 18219
5495 1 11 . 1 1 65 65 SER CA C 56 60.000 60.000 62.030 -2.030 18219
5496 1 11 . 1 1 65 65 SER CB C 56 62.879 62.879 62.908 -0.029 18219
5497 1 11 . 1 1 65 65 SER H H 56 8.260 8.260 7.557 0.703 18219
5498 1 11 . 1 1 66 66 LEU N N 57 123.318 123.318 122.544 0.774 18219
5499 1 11 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.137 -0.047 18219
5500 1 11 . 1 1 66 66 LEU C C 57 175.932 175.932 178.543 -2.611 18219
5501 1 11 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.504 -1.002 18219
5502 1 11 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.117 -0.397 18219
5503 1 11 . 1 1 66 66 LEU H H 57 8.091 8.091 8.168 -0.077 18219
5504 1 11 . 1 1 67 67 PHE N N 58 118.020 118.020 117.825 0.195 18219
5505 1 11 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.068 0.262 18219
5506 1 11 . 1 1 67 67 PHE C C 58 174.912 174.912 178.479 -3.567 18219
5507 1 11 . 1 1 67 67 PHE CA C 58 60.600 60.600 62.318 -1.718 18219
5508 1 11 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.373 0.179 18219
5509 1 11 . 1 1 67 67 PHE H H 58 8.066 8.066 8.922 -0.856 18219
5510 1 11 . 1 1 68 68 THR N N 59 115.324 115.324 116.095 -0.771 18219
5511 1 11 . 1 1 68 68 THR HA H 59 4.310 4.310 4.130 0.180 18219
5512 1 11 . 1 1 68 68 THR C C 59 173.380 173.380 176.316 -2.936 18219
5513 1 11 . 1 1 68 68 THR CA C 59 66.313 66.313 67.353 -1.040 18219
5514 1 11 . 1 1 68 68 THR CB C 59 67.700 67.700 68.930 -1.230 18219
5515 1 11 . 1 1 68 68 THR H H 59 8.287 8.287 8.554 -0.267 18219
5516 1 11 . 1 1 69 69 ALA N N 60 123.621 123.621 125.022 -1.401 18219
5517 1 11 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.006 0.274 18219
5518 1 11 . 1 1 69 69 ALA C C 60 176.978 176.978 179.336 -2.358 18219
5519 1 11 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.428 -0.328 18219
5520 1 11 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.358 -0.630 18219
5521 1 11 . 1 1 69 69 ALA H H 60 7.983 7.983 8.418 -0.435 18219
5522 1 11 . 1 1 70 70 PHE N N 61 118.520 118.520 118.341 0.179 18219
5523 1 11 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.141 0.119 18219
5524 1 11 . 1 1 70 70 PHE C C 61 175.369 175.369 177.539 -2.170 18219
5525 1 11 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.235 -2.056 18219
5526 1 11 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.241 -0.535 18219
5527 1 11 . 1 1 70 70 PHE H H 61 8.007 8.007 8.921 -0.914 18219
5528 1 11 . 1 1 71 71 PHE N N 62 122.314 122.314 120.145 2.169 18219
5529 1 11 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.277 -0.277 18219
5530 1 11 . 1 1 71 71 PHE C C 62 174.697 174.697 177.480 -2.783 18219
5531 1 11 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.394 -1.877 18219
5532 1 11 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.842 -0.072 18219
5533 1 11 . 1 1 71 71 PHE H H 62 8.546 8.546 8.244 0.302 18219
5534 1 11 . 1 1 72 72 LEU N N 63 119.399 119.399 120.404 -1.005 18219
5535 1 11 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.958 -0.088 18219
5536 1 11 . 1 1 72 72 LEU C C 63 175.774 175.774 178.787 -3.013 18219
5537 1 11 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.790 -1.865 18219
5538 1 11 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.525 -0.318 18219
5539 1 11 . 1 1 72 72 LEU H H 63 8.396 8.396 8.893 -0.497 18219
5540 1 11 . 1 1 73 73 ALA N N 64 120.221 120.221 120.893 -0.672 18219
5541 1 11 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.950 0.010 18219
5542 1 11 . 1 1 73 73 ALA C C 64 177.267 177.267 179.613 -2.346 18219
5543 1 11 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.254 -0.654 18219
5544 1 11 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.905 -0.121 18219
5545 1 11 . 1 1 73 73 ALA H H 64 8.025 8.025 8.109 -0.084 18219
5546 1 11 . 1 1 74 74 THR N N 65 113.648 113.648 115.842 -2.194 18219
5547 1 11 . 1 1 74 74 THR HA H 65 3.980 3.980 3.940 0.040 18219
5548 1 11 . 1 1 74 74 THR CA C 65 66.291 66.291 66.588 -0.297 18219
5549 1 11 . 1 1 74 74 THR CB C 65 67.914 67.914 68.644 -0.730 18219
5550 1 11 . 1 1 74 74 THR H H 65 7.717 7.717 7.677 0.040 18219
5551 1 11 . 1 1 75 75 ILE N N 66 120.291 120.291 121.310 -1.019 18219
5552 1 11 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.573 0.167 18219
5553 1 11 . 1 1 75 75 ILE C C 66 174.951 174.951 178.280 -3.329 18219
5554 1 11 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.874 0.006 18219
5555 1 11 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.094 -0.928 18219
5556 1 11 . 1 1 75 75 ILE H H 66 7.738 7.738 8.382 -0.644 18219
5557 1 11 . 1 1 76 76 MET N N 67 117.618 117.618 118.136 -0.518 18219
5558 1 11 . 1 1 76 76 MET HA H 67 4.220 4.220 4.030 0.190 18219
5559 1 11 . 1 1 76 76 MET C C 67 175.142 175.142 177.769 -2.627 18219
5560 1 11 . 1 1 76 76 MET CA C 67 56.723 56.723 57.967 -1.244 18219
5561 1 11 . 1 1 76 76 MET CB C 67 31.951 31.951 33.064 -1.113 18219
5562 1 11 . 1 1 76 76 MET H H 67 7.823 7.823 8.405 -0.582 18219
5563 1 11 . 1 1 77 77 GLY N N 68 107.110 107.110 105.112 1.998 18219
5564 1 11 . 1 1 77 77 GLY C C 68 172.260 172.260 175.746 -3.486 18219
5565 1 11 . 1 1 77 77 GLY CA C 68 45.800 45.800 46.241 -0.441 18219
5566 1 11 . 1 1 77 77 GLY H H 68 7.937 7.937 8.282 -0.345 18219
5567 1 11 . 1 1 78 78 VAL N N 69 120.431 120.431 117.464 2.967 18219
5568 1 11 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.660 0.560 18219
5569 1 11 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.940 -1.040 18219
5570 1 11 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.898 -0.392 18219
5571 1 11 . 1 1 78 78 VAL H H 69 7.697 7.697 8.178 -0.481 18219
5572 1 11 . 1 1 79 79 ARG N N 70 121.420 121.420 118.372 3.048 18219
5573 1 11 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.510 -0.700 18219
5574 1 11 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.279 1.121 18219
5575 1 11 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.388 -0.291 18219
5576 1 11 . 1 1 79 79 ARG H H 70 7.889 7.889 7.719 0.170 18219
5577 1 11 . 1 1 80 80 PHE N N 71 119.949 119.949 124.665 -4.716 18219
5578 1 11 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.375 0.135 18219
5579 1 11 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.416 -0.817 18219
5580 1 11 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.797 -0.652 18219
5581 1 11 . 1 1 80 80 PHE H H 71 8.101 8.101 8.555 -0.454 18219
5582 1 11 . 1 1 81 81 LYS N N 72 122.193 122.193 126.004 -3.811 18219
5583 1 11 . 1 1 81 81 LYS CA C 72 56.800 56.800 54.684 2.116 18219
5584 1 11 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.669 -2.347 18219
5585 1 11 . 1 1 81 81 LYS H H 72 8.090 8.090 7.537 0.553 18219
5586 1 11 . 1 1 82 82 ARG N N 73 119.650 119.650 119.587 0.063 18219
5587 1 11 . 1 1 82 82 ARG CA C 73 56.089 56.089 57.364 -1.275 18219
5588 1 11 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.654 -0.483 18219
5589 1 11 . 1 1 82 82 ARG H H 73 8.052 8.052 8.159 -0.107 18219
5590 1 11 . 1 1 83 83 SER N N 74 115.734 115.734 112.030 3.704 18219
5591 1 11 . 1 1 83 83 SER CA C 74 58.355 58.355 58.113 0.242 18219
5592 1 11 . 1 1 83 83 SER CB C 74 63.404 63.404 63.257 0.147 18219
5593 1 11 . 1 1 83 83 SER H H 74 7.912 7.912 7.609 0.303 18219
5594 1 11 . 1 1 84 84 LYS N N 75 122.370 122.370 123.508 -1.138 18219
5595 1 11 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.502 -0.367 18219
5596 1 11 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.144 -0.969 18219
5597 1 11 . 1 1 84 84 LYS H H 75 8.067 8.067 7.878 0.189 18219
5598 1 11 . 1 1 86 86 ILE N N 77 119.592 119.592 116.084 3.508 18219
5599 1 11 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.021 -0.211 18219
5600 1 11 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.882 3.018 18219
5601 1 11 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.382 0.763 18219
5602 1 11 . 1 1 86 86 ILE H H 77 7.837 7.837 8.341 -0.504 18219
5603 1 11 . 1 1 87 87 MET N N 78 121.645 121.645 120.407 1.238 18219
5604 1 11 . 1 1 87 87 MET CA C 78 52.982 52.982 58.414 -5.432 18219
5605 1 11 . 1 1 87 87 MET CB C 78 32.173 32.173 30.831 1.342 18219
5606 1 11 . 1 1 87 87 MET H H 78 7.950 7.950 8.122 -0.172 18219
5607 1 11 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.590 -0.450 18219
5608 1 11 . 1 1 88 88 PRO C C 79 173.921 173.921 176.421 -2.500 18219
5609 1 11 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.275 0.525 18219
5610 1 11 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.208 1.928 18219
5611 1 11 . 1 1 89 89 ALA N N 80 124.431 124.431 125.171 -0.740 18219
5612 1 11 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.990 0.410 18219
5613 1 11 . 1 1 89 89 ALA C C 80 176.234 176.234 179.215 -2.981 18219
5614 1 11 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.859 -2.559 18219
5615 1 11 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.616 -0.118 18219
5616 1 11 . 1 1 89 89 ALA H H 80 8.320 8.320 8.445 -0.125 18219
5617 1 11 . 1 1 90 90 GLY N N 81 106.834 106.834 105.561 1.273 18219
5618 1 11 . 1 1 90 90 GLY C C 81 172.398 172.398 176.214 -3.816 18219
5619 1 11 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.453 -0.853 18219
5620 1 11 . 1 1 90 90 GLY H H 81 8.458 8.458 8.727 -0.269 18219
5621 1 11 . 1 1 91 91 LEU N N 82 121.043 121.043 122.278 -1.235 18219
5622 1 11 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.973 0.227 18219
5623 1 11 . 1 1 91 91 LEU C C 82 174.783 174.783 178.927 -4.144 18219
5624 1 11 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.687 -1.387 18219
5625 1 11 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.241 -0.135 18219
5626 1 11 . 1 1 91 91 LEU H H 82 7.687 7.687 7.619 0.068 18219
5627 1 11 . 1 1 92 92 VAL N N 83 114.737 114.737 118.569 -3.832 18219
5628 1 11 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.591 0.389 18219
5629 1 11 . 1 1 92 92 VAL C C 83 173.634 173.634 177.565 -3.931 18219
5630 1 11 . 1 1 92 92 VAL CA C 83 62.400 62.400 67.097 -4.697 18219
5631 1 11 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.465 0.120 18219
5632 1 11 . 1 1 92 92 VAL H H 83 7.602 7.602 8.540 -0.938 18219
5633 1 11 . 1 1 93 93 ALA N N 84 124.320 124.320 121.286 3.034 18219
5634 1 11 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.002 0.148 18219
5635 1 11 . 1 1 93 93 ALA C C 84 175.746 175.746 179.966 -4.220 18219
5636 1 11 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.350 -2.050 18219
5637 1 11 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.933 0.308 18219
5638 1 11 . 1 1 93 93 ALA H H 84 7.891 7.891 8.122 -0.231 18219
5639 1 11 . 1 1 94 94 GLY N N 85 106.807 106.807 107.162 -0.355 18219
5640 1 11 . 1 1 94 94 GLY C C 85 171.752 171.752 175.772 -4.020 18219
5641 1 11 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.555 -1.306 18219
5642 1 11 . 1 1 94 94 GLY H H 85 8.204 8.204 8.129 0.075 18219
5643 1 11 . 1 1 95 95 LEU N N 86 121.266 121.266 123.038 -1.772 18219
5644 1 11 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.193 0.187 18219
5645 1 11 . 1 1 95 95 LEU C C 86 173.702 173.702 179.009 -5.307 18219
5646 1 11 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.502 -2.502 18219
5647 1 11 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.400 0.898 18219
5648 1 11 . 1 1 95 95 LEU H H 86 7.718 7.718 7.999 -0.281 18219
5649 1 11 . 1 1 96 96 SER N N 87 115.658 115.658 115.616 0.042 18219
5650 1 11 . 1 1 96 96 SER HA H 87 4.370 4.370 4.200 0.170 18219
5651 1 11 . 1 1 96 96 SER C C 87 172.479 172.479 176.852 -4.373 18219
5652 1 11 . 1 1 96 96 SER CA C 87 57.200 57.200 62.274 -5.074 18219
5653 1 11 . 1 1 96 96 SER CB C 87 64.174 64.174 63.055 1.119 18219
5654 1 11 . 1 1 96 96 SER H H 87 7.659 7.659 8.154 -0.495 18219
5655 1 11 . 1 1 97 97 LEU N N 88 123.720 123.720 123.336 0.384 18219
5656 1 11 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.961 0.639 18219
5657 1 11 . 1 1 97 97 LEU C C 88 175.932 175.932 179.032 -3.100 18219
5658 1 11 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.396 -0.796 18219
5659 1 11 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.981 -0.581 18219
5660 1 11 . 1 1 97 97 LEU H H 88 8.733 8.733 8.165 0.568 18219
5661 1 11 . 1 1 98 98 MET N N 89 116.684 116.684 118.588 -1.904 18219
5662 1 11 . 1 1 98 98 MET HA H 89 4.280 4.280 4.119 0.161 18219
5663 1 11 . 1 1 98 98 MET C C 89 175.789 175.789 178.192 -2.403 18219
5664 1 11 . 1 1 98 98 MET CA C 89 56.915 56.915 57.386 -0.471 18219
5665 1 11 . 1 1 98 98 MET CB C 89 31.007 31.007 31.983 -0.976 18219
5666 1 11 . 1 1 98 98 MET H H 89 8.342 8.342 8.444 -0.102 18219
5667 1 11 . 1 1 99 99 MET N N 90 119.182 119.182 119.659 -0.477 18219
5668 1 11 . 1 1 99 99 MET HA H 90 4.110 4.110 4.106 0.004 18219
5669 1 11 . 1 1 99 99 MET C C 90 175.588 175.588 179.053 -3.465 18219
5670 1 11 . 1 1 99 99 MET CA C 90 57.951 57.951 59.136 -1.185 18219
5671 1 11 . 1 1 99 99 MET CB C 90 32.226 32.226 32.340 -0.114 18219
5672 1 11 . 1 1 99 99 MET H H 90 7.720 7.720 8.050 -0.330 18219
5673 1 11 . 1 1 100 100 ILE N N 91 119.077 119.077 119.878 -0.801 18219
5674 1 11 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.809 0.301 18219
5675 1 11 . 1 1 100 100 ILE C C 91 174.634 174.634 177.431 -2.797 18219
5676 1 11 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.755 -0.655 18219
5677 1 11 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.190 -1.047 18219
5678 1 11 . 1 1 100 100 ILE H H 91 7.662 7.662 8.491 -0.829 18219
5679 1 11 . 1 1 101 101 LEU N N 92 119.646 119.646 120.961 -1.315 18219
5680 1 11 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.944 0.586 18219
5681 1 11 . 1 1 101 101 LEU C C 92 175.430 175.430 178.577 -3.147 18219
5682 1 11 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.082 -0.282 18219
5683 1 11 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.863 -1.105 18219
5684 1 11 . 1 1 101 101 LEU H H 92 8.142 8.142 8.060 0.082 18219
5685 1 11 . 1 1 102 102 ARG N N 93 116.394 116.394 117.448 -1.054 18219
5686 1 11 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.223 -0.083 18219
5687 1 11 . 1 1 102 102 ARG C C 93 175.961 175.961 178.360 -2.399 18219
5688 1 11 . 1 1 102 102 ARG CA C 93 59.100 59.100 57.918 1.182 18219
5689 1 11 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.900 -1.496 18219
5690 1 11 . 1 1 102 102 ARG H H 93 7.893 7.893 8.221 -0.328 18219
5691 1 11 . 1 1 103 103 LEU N N 94 119.114 119.114 121.954 -2.840 18219
5692 1 11 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.162 -0.052 18219
5693 1 11 . 1 1 103 103 LEU C C 94 175.889 175.889 179.304 -3.415 18219
5694 1 11 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.546 -0.246 18219
5695 1 11 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.797 -0.501 18219
5696 1 11 . 1 1 103 103 LEU H H 94 7.622 7.622 7.947 -0.325 18219
5697 1 11 . 1 1 104 104 VAL N N 95 117.704 117.704 121.065 -3.361 18219
5698 1 11 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.782 -0.252 18219
5699 1 11 . 1 1 104 104 VAL C C 95 175.042 175.042 177.141 -2.099 18219
5700 1 11 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.980 0.439 18219
5701 1 11 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.996 -0.639 18219
5702 1 11 . 1 1 104 104 VAL H H 95 8.026 8.026 8.446 -0.420 18219
5703 1 11 . 1 1 105 105 LEU N N 96 117.185 117.185 114.899 2.286 18219
5704 1 11 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.682 -0.702 18219
5705 1 11 . 1 1 105 105 LEU C C 96 176.579 176.579 176.473 0.106 18219
5706 1 11 . 1 1 105 105 LEU CA C 96 56.800 56.800 53.703 3.097 18219
5707 1 11 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.488 -0.537 18219
5708 1 11 . 1 1 105 105 LEU H H 96 7.893 7.893 7.654 0.239 18219
5709 1 11 . 1 1 106 106 LEU N N 97 118.471 118.471 120.287 -1.816 18219
5710 1 11 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.891 0.289 18219
5711 1 11 . 1 1 106 106 LEU C C 97 175.802 175.802 176.186 -0.384 18219
5712 1 11 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.489 0.811 18219
5713 1 11 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.573 1.019 18219
5714 1 11 . 1 1 106 106 LEU H H 97 7.545 7.545 7.503 0.042 18219
5715 1 11 . 1 1 107 107 LEU N N 98 118.162 118.162 110.580 7.582 18219
5716 1 11 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.888 0.342 18219
5717 1 11 . 1 1 107 107 LEU C C 98 174.174 174.174 176.292 -2.118 18219
5718 1 11 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.514 0.769 18219
5719 1 11 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.261 3.100 18219
5720 1 11 . 1 1 107 107 LEU H H 98 7.688 7.688 7.821 -0.133 18219
5721 1 12 . 1 1 11 11 ASP N N 2 120.536 120.536 123.296 -2.760 18219
5722 1 12 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.965 1.953 18219
5723 1 12 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.735 -3.776 18219
5724 1 12 . 1 1 11 11 ASP H H 2 7.863 7.863 8.340 -0.477 18219
5725 1 12 . 1 1 12 12 LEU N N 3 121.414 121.414 121.793 -0.379 18219
5726 1 12 . 1 1 12 12 LEU C C 3 176.162 176.162 178.430 -2.268 18219
5727 1 12 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.154 2.446 18219
5728 1 12 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.473 -0.816 18219
5729 1 12 . 1 1 12 12 LEU H H 3 8.285 8.285 8.231 0.054 18219
5730 1 12 . 1 1 13 13 ILE N N 4 118.854 118.854 119.631 -0.777 18219
5731 1 12 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.796 -0.056 18219
5732 1 12 . 1 1 13 13 ILE C C 4 175.228 175.228 177.777 -2.549 18219
5733 1 12 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.058 1.442 18219
5734 1 12 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.378 -1.276 18219
5735 1 12 . 1 1 13 13 ILE H H 4 8.031 8.031 8.019 0.012 18219
5736 1 12 . 1 1 14 14 GLY N N 5 107.478 107.478 107.569 -0.091 18219
5737 1 12 . 1 1 14 14 GLY C C 5 174.424 174.424 175.871 -1.447 18219
5738 1 12 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.526 0.533 18219
5739 1 12 . 1 1 14 14 GLY H H 5 8.148 8.148 8.159 -0.011 18219
5740 1 12 . 1 1 15 15 PHE N N 6 122.774 122.774 123.983 -1.209 18219
5741 1 12 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.294 0.186 18219
5742 1 12 . 1 1 15 15 PHE C C 6 175.113 175.113 177.113 -2.000 18219
5743 1 12 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.831 -1.813 18219
5744 1 12 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.512 0.262 18219
5745 1 12 . 1 1 15 15 PHE H H 6 8.194 8.194 8.533 -0.339 18219
5746 1 12 . 1 1 16 16 GLY N N 7 107.938 107.938 106.023 1.915 18219
5747 1 12 . 1 1 16 16 GLY C C 7 171.838 171.838 175.618 -3.780 18219
5748 1 12 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.341 -0.241 18219
5749 1 12 . 1 1 16 16 GLY H H 7 8.697 8.697 8.625 0.072 18219
5750 1 12 . 1 1 17 17 TYR N N 8 121.785 121.785 123.371 -1.586 18219
5751 1 12 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.123 0.027 18219
5752 1 12 . 1 1 17 17 TYR C C 8 174.180 174.180 177.416 -3.236 18219
5753 1 12 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.129 0.171 18219
5754 1 12 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.459 -0.500 18219
5755 1 12 . 1 1 17 17 TYR H H 8 8.710 8.710 8.011 0.699 18219
5756 1 12 . 1 1 18 18 ALA N N 9 120.233 120.233 120.109 0.124 18219
5757 1 12 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.953 -0.003 18219
5758 1 12 . 1 1 18 18 ALA C C 9 178.059 178.059 179.205 -1.146 18219
5759 1 12 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.502 0.370 18219
5760 1 12 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.754 -0.192 18219
5761 1 12 . 1 1 18 18 ALA H H 9 7.843 7.843 8.620 -0.777 18219
5762 1 12 . 1 1 19 19 ALA N N 10 121.797 121.797 122.974 -1.177 18219
5763 1 12 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.927 0.023 18219
5764 1 12 . 1 1 19 19 ALA C C 10 176.191 176.191 179.337 -3.146 18219
5765 1 12 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.859 -0.260 18219
5766 1 12 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.193 -0.631 18219
5767 1 12 . 1 1 19 19 ALA H H 10 8.212 8.212 7.956 0.256 18219
5768 1 12 . 1 1 20 20 LEU N N 11 119.442 119.442 117.320 2.122 18219
5769 1 12 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.923 0.014 18219
5770 1 12 . 1 1 20 20 LEU C C 11 176.694 176.694 178.732 -2.038 18219
5771 1 12 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.792 0.008 18219
5772 1 12 . 1 1 20 20 LEU CB C 11 41.222 41.222 40.973 0.249 18219
5773 1 12 . 1 1 20 20 LEU H H 11 8.065 8.065 7.904 0.161 18219
5774 1 12 . 1 1 21 21 VAL N N 12 118.323 118.323 120.322 -1.999 18219
5775 1 12 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.409 0.231 18219
5776 1 12 . 1 1 21 21 VAL C C 12 176.536 176.536 178.389 -1.853 18219
5777 1 12 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.726 -1.326 18219
5778 1 12 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.005 0.130 18219
5779 1 12 . 1 1 21 21 VAL H H 12 8.051 8.051 8.260 -0.209 18219
5780 1 12 . 1 1 22 22 THR N N 13 118.298 118.298 116.245 2.053 18219
5781 1 12 . 1 1 22 22 THR HA H 13 4.660 4.660 4.023 0.637 18219
5782 1 12 . 1 1 22 22 THR C C 13 173.734 173.734 176.614 -2.880 18219
5783 1 12 . 1 1 22 22 THR CA C 13 66.300 66.300 66.192 0.108 18219
5784 1 12 . 1 1 22 22 THR CB C 13 67.775 67.775 68.387 -0.612 18219
5785 1 12 . 1 1 22 22 THR H H 13 7.944 7.944 7.887 0.057 18219
5786 1 12 . 1 1 23 23 PHE N N 14 121.328 121.328 122.467 -1.139 18219
5787 1 12 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.192 0.148 18219
5788 1 12 . 1 1 23 23 PHE C C 14 174.783 174.783 177.260 -2.477 18219
5789 1 12 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.484 -0.984 18219
5790 1 12 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.712 -0.086 18219
5791 1 12 . 1 1 23 23 PHE H H 14 8.567 8.567 8.425 0.142 18219
5792 1 12 . 1 1 24 24 GLY N N 15 106.871 106.871 104.981 1.890 18219
5793 1 12 . 1 1 24 24 GLY C C 15 172.858 172.858 176.550 -3.692 18219
5794 1 12 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.127 -0.227 18219
5795 1 12 . 1 1 24 24 GLY H H 15 8.475 8.475 8.844 -0.369 18219
5796 1 12 . 1 1 25 25 SER N N 16 116.214 116.214 117.944 -1.730 18219
5797 1 12 . 1 1 25 25 SER HA H 16 4.280 4.280 4.178 0.102 18219
5798 1 12 . 1 1 25 25 SER CA C 16 60.300 60.300 61.934 -1.634 18219
5799 1 12 . 1 1 25 25 SER CB C 16 62.879 62.879 63.345 -0.466 18219
5800 1 12 . 1 1 25 25 SER H H 16 7.963 7.963 7.888 0.075 18219
5801 1 12 . 1 1 26 26 ILE N N 17 121.024 121.024 122.398 -1.374 18219
5802 1 12 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.703 0.243 18219
5803 1 12 . 1 1 26 26 ILE C C 17 173.935 173.935 177.962 -4.027 18219
5804 1 12 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.628 -1.528 18219
5805 1 12 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.217 -0.110 18219
5806 1 12 . 1 1 26 26 ILE H H 17 7.676 7.676 7.927 -0.251 18219
5807 1 12 . 1 1 27 27 PHE N N 18 117.142 117.142 117.422 -0.280 18219
5808 1 12 . 1 1 27 27 PHE HA H 18 4.430 4.430 3.983 0.447 18219
5809 1 12 . 1 1 27 27 PHE C C 18 173.504 173.504 177.021 -3.517 18219
5810 1 12 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.996 -2.496 18219
5811 1 12 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.239 -0.465 18219
5812 1 12 . 1 1 27 27 PHE H H 18 7.703 7.703 8.331 -0.628 18219
5813 1 12 . 1 1 28 28 GLY N N 19 107.303 107.303 105.509 1.794 18219
5814 1 12 . 1 1 28 28 GLY C C 19 171.593 171.593 173.920 -2.327 18219
5815 1 12 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.059 0.541 18219
5816 1 12 . 1 1 28 28 GLY H H 19 7.722 7.722 8.113 -0.391 18219
5817 1 12 . 1 1 29 29 TYR N N 20 119.862 119.862 120.315 -0.453 18219
5818 1 12 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.259 0.133 18219
5819 1 12 . 1 1 29 29 TYR C C 20 173.174 173.174 175.522 -2.348 18219
5820 1 12 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.235 0.265 18219
5821 1 12 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.172 1.232 18219
5822 1 12 . 1 1 29 29 TYR H H 20 7.880 7.880 8.579 -0.699 18219
5823 1 12 . 1 1 30 30 LYS N N 21 122.335 122.335 120.633 1.702 18219
5824 1 12 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.031 0.359 18219
5825 1 12 . 1 1 30 30 LYS C C 21 173.547 173.547 177.496 -3.949 18219
5826 1 12 . 1 1 30 30 LYS CA C 21 55.800 55.800 58.121 -2.321 18219
5827 1 12 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.800 -0.404 18219
5828 1 12 . 1 1 30 30 LYS H H 21 7.934 7.934 8.490 -0.556 18219
5829 1 12 . 1 1 31 31 ARG N N 22 120.612 120.612 117.884 2.728 18219
5830 1 12 . 1 1 31 31 ARG C C 22 173.547 173.547 175.592 -2.045 18219
5831 1 12 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.401 -0.567 18219
5832 1 12 . 1 1 31 31 ARG CB C 22 30.101 30.101 28.318 1.783 18219
5833 1 12 . 1 1 31 31 ARG H H 22 7.905 7.905 8.481 -0.576 18219
5834 1 12 . 1 1 32 32 ARG N N 23 121.748 121.748 119.951 1.797 18219
5835 1 12 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.161 0.149 18219
5836 1 12 . 1 1 32 32 ARG C C 23 173.863 173.863 176.681 -2.818 18219
5837 1 12 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.865 -1.065 18219
5838 1 12 . 1 1 32 32 ARG CB C 23 30.245 30.245 31.059 -0.814 18219
5839 1 12 . 1 1 32 32 ARG H H 23 8.175 8.175 7.964 0.211 18219
5840 1 12 . 1 1 33 33 GLY N N 24 109.528 109.528 105.599 3.929 18219
5841 1 12 . 1 1 33 33 GLY C C 24 171.752 171.752 173.716 -1.964 18219
5842 1 12 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.207 0.693 18219
5843 1 12 . 1 1 33 33 GLY H H 24 8.264 8.264 8.376 -0.112 18219
5844 1 12 . 1 1 34 34 GLY N N 25 108.563 108.563 109.056 -0.493 18219
5845 1 12 . 1 1 34 34 GLY C C 25 171.701 171.701 174.384 -2.683 18219
5846 1 12 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.328 0.272 18219
5847 1 12 . 1 1 34 34 GLY H H 25 8.208 8.208 8.170 0.038 18219
5848 1 12 . 1 1 35 35 VAL N N 26 121.164 121.164 122.100 -0.936 18219
5849 1 12 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.050 -0.040 18219
5850 1 12 . 1 1 35 35 VAL C C 26 175.888 175.888 175.005 0.883 18219
5851 1 12 . 1 1 35 35 VAL CA C 26 63.900 63.900 63.350 0.550 18219
5852 1 12 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.425 -0.735 18219
5853 1 12 . 1 1 35 35 VAL H H 26 8.485 8.485 8.269 0.216 18219
5854 1 12 . 1 1 36 36 PRO C C 27 177.660 177.660 176.164 1.496 18219
5855 1 12 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.050 -0.203 18219
5856 1 12 . 1 1 37 37 SER N N 28 116.023 116.023 113.515 2.508 18219
5857 1 12 . 1 1 37 37 SER HA H 28 4.280 4.280 4.464 -0.184 18219
5858 1 12 . 1 1 37 37 SER CA C 28 61.100 61.100 59.272 1.828 18219
5859 1 12 . 1 1 37 37 SER H H 28 7.948 7.948 8.699 -0.751 18219
5860 1 12 . 1 1 38 38 LEU N N 29 124.029 124.029 121.627 2.402 18219
5861 1 12 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.099 0.071 18219
5862 1 12 . 1 1 38 38 LEU C C 29 176.132 176.132 178.278 -2.146 18219
5863 1 12 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.126 -0.626 18219
5864 1 12 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.743 1.295 18219
5865 1 12 . 1 1 38 38 LEU H H 29 8.201 8.201 8.005 0.196 18219
5866 1 12 . 1 1 39 39 ILE N N 30 117.098 117.098 114.853 2.245 18219
5867 1 12 . 1 1 39 39 ILE HA H 30 4.370 4.370 4.084 0.286 18219
5868 1 12 . 1 1 39 39 ILE C C 30 176.478 176.478 177.342 -0.864 18219
5869 1 12 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.215 -0.136 18219
5870 1 12 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.430 0.543 18219
5871 1 12 . 1 1 39 39 ILE H H 30 7.662 7.662 8.037 -0.375 18219
5872 1 12 . 1 1 40 40 ALA N N 31 122.447 122.447 123.948 -1.501 18219
5873 1 12 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.142 -0.108 18219
5874 1 12 . 1 1 40 40 ALA C C 31 177.067 177.067 179.754 -2.687 18219
5875 1 12 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.513 0.449 18219
5876 1 12 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.935 -0.079 18219
5877 1 12 . 1 1 40 40 ALA H H 31 8.096 8.096 8.043 0.053 18219
5878 1 12 . 1 1 41 41 GLY N N 32 104.056 104.056 107.423 -3.367 18219
5879 1 12 . 1 1 41 41 GLY C C 32 174.251 174.251 176.027 -1.776 18219
5880 1 12 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.958 -0.458 18219
5881 1 12 . 1 1 41 41 GLY H H 32 8.123 8.123 8.168 -0.045 18219
5882 1 12 . 1 1 42 42 LEU N N 33 123.250 123.250 123.102 0.148 18219
5883 1 12 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.054 -0.197 18219
5884 1 12 . 1 1 42 42 LEU C C 33 176.033 176.033 178.170 -2.137 18219
5885 1 12 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.901 -1.232 18219
5886 1 12 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.028 -0.307 18219
5887 1 12 . 1 1 42 42 LEU H H 33 7.914 7.914 8.183 -0.269 18219
5888 1 12 . 1 1 43 43 PHE N N 34 119.757 119.757 119.350 0.407 18219
5889 1 12 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.117 0.083 18219
5890 1 12 . 1 1 43 43 PHE C C 34 174.374 174.374 177.322 -2.948 18219
5891 1 12 . 1 1 43 43 PHE CA C 34 59.876 59.876 61.927 -2.051 18219
5892 1 12 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.046 -0.212 18219
5893 1 12 . 1 1 43 43 PHE H H 34 8.287 8.287 8.014 0.273 18219
5894 1 12 . 1 1 44 44 VAL N N 35 117.791 117.791 118.333 -0.542 18219
5895 1 12 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.512 0.098 18219
5896 1 12 . 1 1 44 44 VAL C C 35 176.205 176.205 178.463 -2.258 18219
5897 1 12 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.498 -1.938 18219
5898 1 12 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.317 0.115 18219
5899 1 12 . 1 1 44 44 VAL H H 35 8.235 8.235 8.329 -0.094 18219
5900 1 12 . 1 1 45 45 GLY N N 36 108.551 108.551 107.649 0.902 18219
5901 1 12 . 1 1 45 45 GLY C C 36 173.749 173.749 175.634 -1.885 18219
5902 1 12 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.151 -1.068 18219
5903 1 12 . 1 1 45 45 GLY H H 36 8.178 8.178 8.584 -0.406 18219
5904 1 12 . 1 1 46 46 CYS N N 37 121.173 121.173 122.321 -1.148 18219
5905 1 12 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.137 0.043 18219
5906 1 12 . 1 1 46 46 CYS C C 37 173.710 173.710 176.494 -2.784 18219
5907 1 12 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.594 -0.594 18219
5908 1 12 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.789 32.494 18219
5909 1 12 . 1 1 46 46 CYS H H 37 8.253 8.253 8.199 0.054 18219
5910 1 12 . 1 1 47 47 LEU N N 38 120.283 120.283 119.016 1.267 18219
5911 1 12 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.998 0.062 18219
5912 1 12 . 1 1 47 47 LEU C C 38 176.679 176.679 177.951 -1.272 18219
5913 1 12 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.885 -1.858 18219
5914 1 12 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.549 0.915 18219
5915 1 12 . 1 1 47 47 LEU H H 38 7.965 7.965 8.310 -0.345 18219
5916 1 12 . 1 1 48 48 ALA N N 39 122.249 122.249 121.948 0.301 18219
5917 1 12 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.982 0.160 18219
5918 1 12 . 1 1 48 48 ALA C C 39 177.915 177.915 179.842 -1.927 18219
5919 1 12 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.188 -1.471 18219
5920 1 12 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.055 -0.070 18219
5921 1 12 . 1 1 48 48 ALA H H 39 8.066 8.066 7.895 0.171 18219
5922 1 12 . 1 1 49 49 GLY N N 40 107.377 107.377 107.636 -0.259 18219
5923 1 12 . 1 1 49 49 GLY C C 40 172.527 172.527 175.596 -3.069 18219
5924 1 12 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.797 -1.347 18219
5925 1 12 . 1 1 49 49 GLY H H 40 8.172 8.172 8.184 -0.012 18219
5926 1 12 . 1 1 50 50 TYR N N 41 122.409 122.409 123.122 -0.713 18219
5927 1 12 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.162 -0.363 18219
5928 1 12 . 1 1 50 50 TYR C C 41 174.208 174.208 178.063 -3.855 18219
5929 1 12 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.288 -2.043 18219
5930 1 12 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.489 -0.553 18219
5931 1 12 . 1 1 50 50 TYR H H 41 7.800 7.800 8.532 -0.732 18219
5932 1 12 . 1 1 51 51 GLY N N 42 106.935 106.935 106.877 0.058 18219
5933 1 12 . 1 1 51 51 GLY C C 42 172.642 172.642 175.163 -2.521 18219
5934 1 12 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.460 0.805 18219
5935 1 12 . 1 1 51 51 GLY H H 42 8.199 8.199 8.155 0.044 18219
5936 1 12 . 1 1 52 52 ALA N N 43 123.018 123.018 124.454 -1.436 18219
5937 1 12 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.051 0.099 18219
5938 1 12 . 1 1 52 52 ALA C C 43 176.398 176.398 177.910 -1.512 18219
5939 1 12 . 1 1 52 52 ALA CA C 43 52.883 52.883 53.629 -0.746 18219
5940 1 12 . 1 1 52 52 ALA CB C 43 18.241 18.241 19.151 -0.910 18219
5941 1 12 . 1 1 52 52 ALA H H 43 7.758 7.758 7.958 -0.200 18219
5942 1 12 . 1 1 53 53 TYR N N 44 119.664 119.664 115.416 4.248 18219
5943 1 12 . 1 1 53 53 TYR HA H 44 4.318 4.318 3.950 0.368 18219
5944 1 12 . 1 1 53 53 TYR C C 44 174.180 174.180 175.727 -1.547 18219
5945 1 12 . 1 1 53 53 TYR CA C 44 58.593 58.593 59.505 -0.912 18219
5946 1 12 . 1 1 53 53 TYR CB C 44 38.192 38.192 36.888 1.304 18219
5947 1 12 . 1 1 53 53 TYR H H 44 7.920 7.920 8.102 -0.182 18219
5948 1 12 . 1 1 54 54 ARG N N 45 119.516 119.516 116.633 2.883 18219
5949 1 12 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.329 -0.399 18219
5950 1 12 . 1 1 54 54 ARG C C 45 174.423 174.423 176.812 -2.389 18219
5951 1 12 . 1 1 54 54 ARG CA C 45 56.027 56.027 55.715 0.312 18219
5952 1 12 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.902 -0.729 18219
5953 1 12 . 1 1 54 54 ARG H H 45 7.956 7.956 8.198 -0.242 18219
5954 1 12 . 1 1 55 55 VAL N N 46 116.437 116.437 120.122 -3.685 18219
5955 1 12 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.678 0.382 18219
5956 1 12 . 1 1 55 55 VAL C C 46 173.806 173.806 176.114 -2.308 18219
5957 1 12 . 1 1 55 55 VAL CA C 46 62.300 62.300 65.254 -2.954 18219
5958 1 12 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.367 0.154 18219
5959 1 12 . 1 1 55 55 VAL H H 46 7.489 7.489 8.224 -0.735 18219
5960 1 12 . 1 1 56 56 SER N N 47 117.185 117.185 111.304 5.881 18219
5961 1 12 . 1 1 56 56 SER HA H 47 4.401 4.401 4.297 0.104 18219
5962 1 12 . 1 1 56 56 SER C C 47 172.074 172.074 174.327 -2.253 18219
5963 1 12 . 1 1 56 56 SER CA C 47 58.133 58.133 59.052 -0.919 18219
5964 1 12 . 1 1 56 56 SER CB C 47 63.468 63.468 62.111 1.357 18219
5965 1 12 . 1 1 56 56 SER H H 47 7.728 7.728 7.907 -0.179 18219
5966 1 12 . 1 1 57 57 ASN N N 48 121.049 121.049 119.964 1.085 18219
5967 1 12 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.681 -0.091 18219
5968 1 12 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.810 -1.210 18219
5969 1 12 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.592 -0.951 18219
5970 1 12 . 1 1 57 57 ASN H H 48 8.228 8.228 8.121 0.107 18219
5971 1 12 . 1 1 58 58 ASP N N 49 120.276 120.276 118.484 1.792 18219
5972 1 12 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.648 -0.118 18219
5973 1 12 . 1 1 58 58 ASP CA C 49 54.202 54.202 53.850 0.352 18219
5974 1 12 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.392 -1.018 18219
5975 1 12 . 1 1 58 58 ASP H H 49 8.192 8.192 8.091 0.101 18219
5976 1 12 . 1 1 59 59 LYS N N 50 120.660 120.660 117.250 3.410 18219
5977 1 12 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.988 0.212 18219
5978 1 12 . 1 1 59 59 LYS C C 50 173.474 173.474 175.450 -1.976 18219
5979 1 12 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.992 -0.692 18219
5980 1 12 . 1 1 59 59 LYS CB C 50 32.034 32.034 30.633 1.401 18219
5981 1 12 . 1 1 59 59 LYS H H 50 8.003 8.003 7.563 0.440 18219
5982 1 12 . 1 1 60 60 ARG N N 51 121.278 121.278 118.413 2.865 18219
5983 1 12 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.140 0.060 18219
5984 1 12 . 1 1 60 60 ARG C C 51 173.303 173.303 175.302 -1.999 18219
5985 1 12 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.202 -0.919 18219
5986 1 12 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.714 -0.476 18219
5987 1 12 . 1 1 60 60 ARG H H 51 8.091 8.091 7.684 0.407 18219
5988 1 12 . 1 1 61 61 ASP N N 52 121.185 121.185 116.686 4.499 18219
5989 1 12 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.686 -0.071 18219
5990 1 12 . 1 1 61 61 ASP C C 52 173.777 173.777 176.530 -2.753 18219
5991 1 12 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.340 -1.361 18219
5992 1 12 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.514 -1.269 18219
5993 1 12 . 1 1 61 61 ASP H H 52 8.261 8.261 8.480 -0.219 18219
5994 1 12 . 1 1 62 62 VAL N N 53 121.902 121.902 119.147 2.755 18219
5995 1 12 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.317 -0.367 18219
5996 1 12 . 1 1 62 62 VAL C C 53 173.279 173.279 177.128 -3.849 18219
5997 1 12 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.361 -0.185 18219
5998 1 12 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.292 -0.193 18219
5999 1 12 . 1 1 62 62 VAL H H 53 7.997 7.997 8.281 -0.284 18219
6000 1 12 . 1 1 63 63 LYS N N 54 123.522 123.522 122.006 1.516 18219
6001 1 12 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.146 0.114 18219
6002 1 12 . 1 1 63 63 LYS C C 54 174.481 174.481 178.719 -4.238 18219
6003 1 12 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.540 -3.193 18219
6004 1 12 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.240 -0.141 18219
6005 1 12 . 1 1 63 63 LYS H H 54 8.054 8.054 8.276 -0.222 18219
6006 1 12 . 1 1 64 64 VAL N N 55 120.647 120.647 116.754 3.893 18219
6007 1 12 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.839 0.108 18219
6008 1 12 . 1 1 64 64 VAL C C 55 174.955 174.955 177.341 -2.386 18219
6009 1 12 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.246 -0.646 18219
6010 1 12 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.406 0.471 18219
6011 1 12 . 1 1 64 64 VAL H H 55 8.225 8.225 8.140 0.085 18219
6012 1 12 . 1 1 65 65 SER N N 56 117.785 117.785 116.065 1.720 18219
6013 1 12 . 1 1 65 65 SER HA H 56 4.390 4.390 4.196 0.194 18219
6014 1 12 . 1 1 65 65 SER C C 56 172.300 172.300 176.450 -4.150 18219
6015 1 12 . 1 1 65 65 SER CA C 56 60.000 60.000 62.030 -2.030 18219
6016 1 12 . 1 1 65 65 SER CB C 56 62.879 62.879 62.865 0.014 18219
6017 1 12 . 1 1 65 65 SER H H 56 8.260 8.260 7.869 0.391 18219
6018 1 12 . 1 1 66 66 LEU N N 57 123.318 123.318 122.664 0.654 18219
6019 1 12 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.040 0.050 18219
6020 1 12 . 1 1 66 66 LEU C C 57 175.932 175.932 178.552 -2.620 18219
6021 1 12 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.606 -1.104 18219
6022 1 12 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.080 -0.359 18219
6023 1 12 . 1 1 66 66 LEU H H 57 8.091 8.091 8.130 -0.039 18219
6024 1 12 . 1 1 67 67 PHE N N 58 118.020 118.020 118.106 -0.086 18219
6025 1 12 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.123 0.207 18219
6026 1 12 . 1 1 67 67 PHE C C 58 174.912 174.912 177.992 -3.080 18219
6027 1 12 . 1 1 67 67 PHE CA C 58 60.600 60.600 62.256 -1.656 18219
6028 1 12 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.831 -0.279 18219
6029 1 12 . 1 1 67 67 PHE H H 58 8.066 8.066 8.661 -0.595 18219
6030 1 12 . 1 1 68 68 THR N N 59 115.324 115.324 116.449 -1.125 18219
6031 1 12 . 1 1 68 68 THR HA H 59 4.310 4.310 4.073 0.237 18219
6032 1 12 . 1 1 68 68 THR C C 59 173.380 173.380 176.222 -2.842 18219
6033 1 12 . 1 1 68 68 THR CA C 59 66.313 66.313 66.863 -0.550 18219
6034 1 12 . 1 1 68 68 THR CB C 59 67.700 67.700 68.427 -0.727 18219
6035 1 12 . 1 1 68 68 THR H H 59 8.287 8.287 8.197 0.090 18219
6036 1 12 . 1 1 69 69 ALA N N 60 123.621 123.621 124.729 -1.108 18219
6037 1 12 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.150 0.130 18219
6038 1 12 . 1 1 69 69 ALA C C 60 176.978 176.978 179.853 -2.875 18219
6039 1 12 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.228 -0.128 18219
6040 1 12 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.212 -0.483 18219
6041 1 12 . 1 1 69 69 ALA H H 60 7.983 7.983 8.337 -0.354 18219
6042 1 12 . 1 1 70 70 PHE N N 61 118.520 118.520 118.370 0.150 18219
6043 1 12 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.152 0.108 18219
6044 1 12 . 1 1 70 70 PHE C C 61 175.369 175.369 177.311 -1.942 18219
6045 1 12 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.034 -1.855 18219
6046 1 12 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.103 -0.397 18219
6047 1 12 . 1 1 70 70 PHE H H 61 8.007 8.007 8.855 -0.848 18219
6048 1 12 . 1 1 71 71 PHE N N 62 122.314 122.314 120.090 2.224 18219
6049 1 12 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.126 -0.126 18219
6050 1 12 . 1 1 71 71 PHE C C 62 174.697 174.697 177.878 -3.181 18219
6051 1 12 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.780 -2.263 18219
6052 1 12 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.345 -0.575 18219
6053 1 12 . 1 1 71 71 PHE H H 62 8.546 8.546 8.177 0.369 18219
6054 1 12 . 1 1 72 72 LEU N N 63 119.399 119.399 119.108 0.291 18219
6055 1 12 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.981 -0.111 18219
6056 1 12 . 1 1 72 72 LEU C C 63 175.774 175.774 179.045 -3.271 18219
6057 1 12 . 1 1 72 72 LEU CA C 63 56.925 56.925 57.828 -0.903 18219
6058 1 12 . 1 1 72 72 LEU CB C 63 41.207 41.207 40.851 0.356 18219
6059 1 12 . 1 1 72 72 LEU H H 63 8.396 8.396 8.907 -0.511 18219
6060 1 12 . 1 1 73 73 ALA N N 64 120.221 120.221 121.590 -1.369 18219
6061 1 12 . 1 1 73 73 ALA HA H 64 3.960 3.960 4.041 -0.081 18219
6062 1 12 . 1 1 73 73 ALA C C 64 177.267 177.267 179.481 -2.214 18219
6063 1 12 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.330 -0.730 18219
6064 1 12 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.128 -0.344 18219
6065 1 12 . 1 1 73 73 ALA H H 64 8.025 8.025 8.086 -0.062 18219
6066 1 12 . 1 1 74 74 THR N N 65 113.648 113.648 111.795 1.853 18219
6067 1 12 . 1 1 74 74 THR HA H 65 3.980 3.980 3.991 -0.011 18219
6068 1 12 . 1 1 74 74 THR CA C 65 66.291 66.291 64.869 1.422 18219
6069 1 12 . 1 1 74 74 THR CB C 65 67.914 67.914 68.459 -0.545 18219
6070 1 12 . 1 1 74 74 THR H H 65 7.717 7.717 7.880 -0.163 18219
6071 1 12 . 1 1 75 75 ILE N N 66 120.291 120.291 120.882 -0.591 18219
6072 1 12 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.900 -0.160 18219
6073 1 12 . 1 1 75 75 ILE C C 66 174.951 174.951 177.305 -2.354 18219
6074 1 12 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.886 0.994 18219
6075 1 12 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.593 -1.427 18219
6076 1 12 . 1 1 75 75 ILE H H 66 7.738 7.738 8.056 -0.318 18219
6077 1 12 . 1 1 76 76 MET N N 67 117.618 117.618 116.928 0.690 18219
6078 1 12 . 1 1 76 76 MET HA H 67 4.220 4.220 4.423 -0.203 18219
6079 1 12 . 1 1 76 76 MET C C 67 175.142 175.142 176.871 -1.729 18219
6080 1 12 . 1 1 76 76 MET CA C 67 56.723 56.723 57.812 -1.089 18219
6081 1 12 . 1 1 76 76 MET CB C 67 31.951 31.951 34.138 -2.187 18219
6082 1 12 . 1 1 76 76 MET H H 67 7.823 7.823 8.444 -0.621 18219
6083 1 12 . 1 1 77 77 GLY N N 68 107.110 107.110 105.593 1.517 18219
6084 1 12 . 1 1 77 77 GLY C C 68 172.260 172.260 174.663 -2.403 18219
6085 1 12 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.972 0.828 18219
6086 1 12 . 1 1 77 77 GLY H H 68 7.937 7.937 8.018 -0.081 18219
6087 1 12 . 1 1 78 78 VAL N N 69 120.431 120.431 119.470 0.961 18219
6088 1 12 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.686 0.534 18219
6089 1 12 . 1 1 78 78 VAL CA C 69 63.900 63.900 65.153 -1.253 18219
6090 1 12 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.986 -0.480 18219
6091 1 12 . 1 1 78 78 VAL H H 69 7.697 7.697 7.437 0.260 18219
6092 1 12 . 1 1 79 79 ARG N N 70 121.420 121.420 118.820 2.600 18219
6093 1 12 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.026 -0.216 18219
6094 1 12 . 1 1 79 79 ARG CA C 70 56.400 56.400 57.663 -1.263 18219
6095 1 12 . 1 1 79 79 ARG CB C 70 30.097 30.097 29.664 0.433 18219
6096 1 12 . 1 1 79 79 ARG H H 70 7.889 7.889 8.325 -0.436 18219
6097 1 12 . 1 1 80 80 PHE N N 71 119.949 119.949 124.043 -4.094 18219
6098 1 12 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.678 -0.168 18219
6099 1 12 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.272 0.328 18219
6100 1 12 . 1 1 80 80 PHE CB C 71 39.145 39.145 40.617 -1.472 18219
6101 1 12 . 1 1 80 80 PHE H H 71 8.101 8.101 8.169 -0.068 18219
6102 1 12 . 1 1 81 81 LYS N N 72 122.193 122.193 118.494 3.699 18219
6103 1 12 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.292 0.508 18219
6104 1 12 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.842 -2.520 18219
6105 1 12 . 1 1 81 81 LYS H H 72 8.090 8.090 8.248 -0.158 18219
6106 1 12 . 1 1 82 82 ARG N N 73 119.650 119.650 120.920 -1.270 18219
6107 1 12 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.132 -0.043 18219
6108 1 12 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.724 -1.554 18219
6109 1 12 . 1 1 82 82 ARG H H 73 8.052 8.052 8.675 -0.623 18219
6110 1 12 . 1 1 83 83 SER N N 74 115.734 115.734 117.194 -1.460 18219
6111 1 12 . 1 1 83 83 SER CA C 74 58.355 58.355 58.794 -0.439 18219
6112 1 12 . 1 1 83 83 SER CB C 74 63.404 63.404 63.608 -0.204 18219
6113 1 12 . 1 1 83 83 SER H H 74 7.912 7.912 8.517 -0.605 18219
6114 1 12 . 1 1 84 84 LYS N N 75 122.370 122.370 121.284 1.086 18219
6115 1 12 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.940 -0.805 18219
6116 1 12 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.075 -0.900 18219
6117 1 12 . 1 1 84 84 LYS H H 75 8.067 8.067 7.998 0.069 18219
6118 1 12 . 1 1 86 86 ILE N N 77 119.592 119.592 118.542 1.050 18219
6119 1 12 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.176 -0.366 18219
6120 1 12 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.462 2.438 18219
6121 1 12 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.779 0.366 18219
6122 1 12 . 1 1 86 86 ILE H H 77 7.837 7.837 8.185 -0.348 18219
6123 1 12 . 1 1 87 87 MET N N 78 121.645 121.645 117.860 3.785 18219
6124 1 12 . 1 1 87 87 MET CA C 78 52.982 52.982 58.094 -5.112 18219
6125 1 12 . 1 1 87 87 MET CB C 78 32.173 32.173 31.664 0.509 18219
6126 1 12 . 1 1 87 87 MET H H 78 7.950 7.950 7.950 0.000 18219
6127 1 12 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.451 -0.311 18219
6128 1 12 . 1 1 88 88 PRO C C 79 173.921 173.921 177.248 -3.327 18219
6129 1 12 . 1 1 88 88 PRO CA C 79 62.800 62.800 63.342 -0.541 18219
6130 1 12 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.957 -0.821 18219
6131 1 12 . 1 1 89 89 ALA N N 80 124.431 124.431 120.785 3.646 18219
6132 1 12 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.983 0.417 18219
6133 1 12 . 1 1 89 89 ALA C C 80 176.234 176.234 179.589 -3.355 18219
6134 1 12 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.025 -0.725 18219
6135 1 12 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.489 1.009 18219
6136 1 12 . 1 1 89 89 ALA H H 80 8.320 8.320 8.582 -0.262 18219
6137 1 12 . 1 1 90 90 GLY N N 81 106.834 106.834 106.876 -0.042 18219
6138 1 12 . 1 1 90 90 GLY C C 81 172.398 172.398 175.461 -3.063 18219
6139 1 12 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.161 -1.561 18219
6140 1 12 . 1 1 90 90 GLY H H 81 8.458 8.458 8.350 0.108 18219
6141 1 12 . 1 1 91 91 LEU N N 82 121.043 121.043 121.334 -0.291 18219
6142 1 12 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.008 0.192 18219
6143 1 12 . 1 1 91 91 LEU C C 82 174.783 174.783 178.770 -3.987 18219
6144 1 12 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.801 -2.501 18219
6145 1 12 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.084 0.022 18219
6146 1 12 . 1 1 91 91 LEU H H 82 7.687 7.687 7.801 -0.114 18219
6147 1 12 . 1 1 92 92 VAL N N 83 114.737 114.737 118.609 -3.872 18219
6148 1 12 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.635 0.345 18219
6149 1 12 . 1 1 92 92 VAL C C 83 173.634 173.634 177.730 -4.096 18219
6150 1 12 . 1 1 92 92 VAL CA C 83 62.400 62.400 67.070 -4.670 18219
6151 1 12 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.447 0.138 18219
6152 1 12 . 1 1 92 92 VAL H H 83 7.602 7.602 7.969 -0.367 18219
6153 1 12 . 1 1 93 93 ALA N N 84 124.320 124.320 121.241 3.079 18219
6154 1 12 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.957 0.193 18219
6155 1 12 . 1 1 93 93 ALA C C 84 175.746 175.746 179.871 -4.125 18219
6156 1 12 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.323 -2.023 18219
6157 1 12 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.808 0.433 18219
6158 1 12 . 1 1 93 93 ALA H H 84 7.891 7.891 8.252 -0.361 18219
6159 1 12 . 1 1 94 94 GLY N N 85 106.807 106.807 107.022 -0.215 18219
6160 1 12 . 1 1 94 94 GLY C C 85 171.752 171.752 175.885 -4.133 18219
6161 1 12 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.569 -1.320 18219
6162 1 12 . 1 1 94 94 GLY H H 85 8.204 8.204 7.924 0.280 18219
6163 1 12 . 1 1 95 95 LEU N N 86 121.266 121.266 121.869 -0.603 18219
6164 1 12 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.057 0.323 18219
6165 1 12 . 1 1 95 95 LEU C C 86 173.702 173.702 178.827 -5.125 18219
6166 1 12 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.466 -2.466 18219
6167 1 12 . 1 1 95 95 LEU CB C 86 42.298 42.298 40.839 1.459 18219
6168 1 12 . 1 1 95 95 LEU H H 86 7.718 7.718 7.969 -0.251 18219
6169 1 12 . 1 1 96 96 SER N N 87 115.658 115.658 115.412 0.246 18219
6170 1 12 . 1 1 96 96 SER HA H 87 4.370 4.370 4.198 0.172 18219
6171 1 12 . 1 1 96 96 SER C C 87 172.479 172.479 176.784 -4.305 18219
6172 1 12 . 1 1 96 96 SER CA C 87 57.200 57.200 61.878 -4.678 18219
6173 1 12 . 1 1 96 96 SER CB C 87 64.174 64.174 63.285 0.889 18219
6174 1 12 . 1 1 96 96 SER H H 87 7.659 7.659 8.103 -0.444 18219
6175 1 12 . 1 1 97 97 LEU N N 88 123.720 123.720 122.524 1.196 18219
6176 1 12 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.050 0.550 18219
6177 1 12 . 1 1 97 97 LEU C C 88 175.932 175.932 179.369 -3.437 18219
6178 1 12 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.813 -0.213 18219
6179 1 12 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.078 0.322 18219
6180 1 12 . 1 1 97 97 LEU H H 88 8.733 8.733 8.256 0.477 18219
6181 1 12 . 1 1 98 98 MET N N 89 116.684 116.684 120.161 -3.477 18219
6182 1 12 . 1 1 98 98 MET HA H 89 4.280 4.280 4.137 0.143 18219
6183 1 12 . 1 1 98 98 MET C C 89 175.789 175.789 177.707 -1.918 18219
6184 1 12 . 1 1 98 98 MET CA C 89 56.915 56.915 59.175 -2.260 18219
6185 1 12 . 1 1 98 98 MET CB C 89 31.007 31.007 32.705 -1.698 18219
6186 1 12 . 1 1 98 98 MET H H 89 8.342 8.342 8.301 0.041 18219
6187 1 12 . 1 1 99 99 MET N N 90 119.182 119.182 118.682 0.500 18219
6188 1 12 . 1 1 99 99 MET HA H 90 4.110 4.110 4.204 -0.094 18219
6189 1 12 . 1 1 99 99 MET C C 90 175.588 175.588 178.701 -3.113 18219
6190 1 12 . 1 1 99 99 MET CA C 90 57.951 57.951 58.509 -0.558 18219
6191 1 12 . 1 1 99 99 MET CB C 90 32.226 32.226 31.861 0.365 18219
6192 1 12 . 1 1 99 99 MET H H 90 7.720 7.720 8.217 -0.497 18219
6193 1 12 . 1 1 100 100 ILE N N 91 119.077 119.077 119.821 -0.744 18219
6194 1 12 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.971 0.139 18219
6195 1 12 . 1 1 100 100 ILE C C 91 174.634 174.634 176.993 -2.359 18219
6196 1 12 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.229 -0.129 18219
6197 1 12 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.605 -1.462 18219
6198 1 12 . 1 1 100 100 ILE H H 91 7.662 7.662 8.269 -0.607 18219
6199 1 12 . 1 1 101 101 LEU N N 92 119.646 119.646 120.938 -1.292 18219
6200 1 12 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.961 0.569 18219
6201 1 12 . 1 1 101 101 LEU C C 92 175.430 175.430 178.511 -3.081 18219
6202 1 12 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.837 -0.037 18219
6203 1 12 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.684 -0.926 18219
6204 1 12 . 1 1 101 101 LEU H H 92 8.142 8.142 7.719 0.423 18219
6205 1 12 . 1 1 102 102 ARG N N 93 116.394 116.394 117.918 -1.524 18219
6206 1 12 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.213 -0.073 18219
6207 1 12 . 1 1 102 102 ARG C C 93 175.961 175.961 177.993 -2.032 18219
6208 1 12 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.465 0.635 18219
6209 1 12 . 1 1 102 102 ARG CB C 93 29.404 29.404 31.104 -1.700 18219
6210 1 12 . 1 1 102 102 ARG H H 93 7.893 7.893 8.321 -0.428 18219
6211 1 12 . 1 1 103 103 LEU N N 94 119.114 119.114 122.051 -2.937 18219
6212 1 12 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.054 0.056 18219
6213 1 12 . 1 1 103 103 LEU C C 94 175.889 175.889 178.217 -2.328 18219
6214 1 12 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.901 -0.601 18219
6215 1 12 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.804 -0.508 18219
6216 1 12 . 1 1 103 103 LEU H H 94 7.622 7.622 7.971 -0.349 18219
6217 1 12 . 1 1 104 104 VAL N N 95 117.704 117.704 118.724 -1.020 18219
6218 1 12 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.733 -0.203 18219
6219 1 12 . 1 1 104 104 VAL C C 95 175.042 175.042 177.387 -2.345 18219
6220 1 12 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.654 0.765 18219
6221 1 12 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.941 -0.584 18219
6222 1 12 . 1 1 104 104 VAL H H 95 8.026 8.026 8.216 -0.190 18219
6223 1 12 . 1 1 105 105 LEU N N 96 117.185 117.185 116.184 1.001 18219
6224 1 12 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.261 -0.281 18219
6225 1 12 . 1 1 105 105 LEU C C 96 176.579 176.579 177.896 -1.317 18219
6226 1 12 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.106 0.694 18219
6227 1 12 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.516 -1.565 18219
6228 1 12 . 1 1 105 105 LEU H H 96 7.893 7.893 7.729 0.164 18219
6229 1 12 . 1 1 106 106 LEU N N 97 118.471 118.471 117.880 0.591 18219
6230 1 12 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.937 0.243 18219
6231 1 12 . 1 1 106 106 LEU C C 97 175.802 175.802 176.820 -1.018 18219
6232 1 12 . 1 1 106 106 LEU CA C 97 56.300 56.300 56.334 -0.034 18219
6233 1 12 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.916 0.676 18219
6234 1 12 . 1 1 106 106 LEU H H 97 7.545 7.545 8.241 -0.696 18219
6235 1 12 . 1 1 107 107 LEU N N 98 118.162 118.162 115.338 2.824 18219
6236 1 12 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.455 -0.225 18219
6237 1 12 . 1 1 107 107 LEU C C 98 174.174 174.174 176.896 -2.722 18219
6238 1 12 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.371 0.912 18219
6239 1 12 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.534 -0.172 18219
6240 1 12 . 1 1 107 107 LEU H H 98 7.688 7.688 7.665 0.023 18219
6241 1 13 . 1 1 11 11 ASP N N 2 120.536 120.536 118.228 2.308 18219
6242 1 13 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.400 1.518 18219
6243 1 13 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.160 -3.201 18219
6244 1 13 . 1 1 11 11 ASP H H 2 7.863 7.863 8.028 -0.165 18219
6245 1 13 . 1 1 12 12 LEU N N 3 121.414 121.414 121.897 -0.483 18219
6246 1 13 . 1 1 12 12 LEU C C 3 176.162 176.162 179.478 -3.316 18219
6247 1 13 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.581 1.019 18219
6248 1 13 . 1 1 12 12 LEU CB C 3 41.657 41.657 41.491 0.166 18219
6249 1 13 . 1 1 12 12 LEU H H 3 8.285 8.285 7.960 0.325 18219
6250 1 13 . 1 1 13 13 ILE N N 4 118.854 118.854 118.670 0.184 18219
6251 1 13 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.869 -0.129 18219
6252 1 13 . 1 1 13 13 ILE C C 4 175.228 175.228 177.511 -2.283 18219
6253 1 13 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.662 0.838 18219
6254 1 13 . 1 1 13 13 ILE CB C 4 37.102 37.102 37.946 -0.844 18219
6255 1 13 . 1 1 13 13 ILE H H 4 8.031 8.031 7.876 0.155 18219
6256 1 13 . 1 1 14 14 GLY N N 5 107.478 107.478 106.537 0.941 18219
6257 1 13 . 1 1 14 14 GLY C C 5 174.424 174.424 176.148 -1.724 18219
6258 1 13 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.820 0.239 18219
6259 1 13 . 1 1 14 14 GLY H H 5 8.148 8.148 8.190 -0.042 18219
6260 1 13 . 1 1 15 15 PHE N N 6 122.774 122.774 123.933 -1.159 18219
6261 1 13 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.320 0.160 18219
6262 1 13 . 1 1 15 15 PHE C C 6 175.113 175.113 177.341 -2.228 18219
6263 1 13 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.811 -1.794 18219
6264 1 13 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.926 -0.152 18219
6265 1 13 . 1 1 15 15 PHE H H 6 8.194 8.194 8.790 -0.596 18219
6266 1 13 . 1 1 16 16 GLY N N 7 107.938 107.938 107.222 0.716 18219
6267 1 13 . 1 1 16 16 GLY C C 7 171.838 171.838 175.737 -3.899 18219
6268 1 13 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.679 -0.579 18219
6269 1 13 . 1 1 16 16 GLY H H 7 8.697 8.697 8.257 0.440 18219
6270 1 13 . 1 1 17 17 TYR N N 8 121.785 121.785 123.020 -1.235 18219
6271 1 13 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.077 0.073 18219
6272 1 13 . 1 1 17 17 TYR C C 8 174.180 174.180 177.702 -3.522 18219
6273 1 13 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.309 -0.010 18219
6274 1 13 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.132 -0.173 18219
6275 1 13 . 1 1 17 17 TYR H H 8 8.710 8.710 8.300 0.410 18219
6276 1 13 . 1 1 18 18 ALA N N 9 120.233 120.233 119.322 0.911 18219
6277 1 13 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.928 0.022 18219
6278 1 13 . 1 1 18 18 ALA C C 9 178.059 178.059 179.043 -0.984 18219
6279 1 13 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.582 0.290 18219
6280 1 13 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.309 0.253 18219
6281 1 13 . 1 1 18 18 ALA H H 9 7.843 7.843 8.205 -0.362 18219
6282 1 13 . 1 1 19 19 ALA N N 10 121.797 121.797 122.946 -1.149 18219
6283 1 13 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.031 -0.081 18219
6284 1 13 . 1 1 19 19 ALA C C 10 176.191 176.191 179.411 -3.220 18219
6285 1 13 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.815 -0.215 18219
6286 1 13 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.263 -0.701 18219
6287 1 13 . 1 1 19 19 ALA H H 10 8.212 8.212 7.529 0.683 18219
6288 1 13 . 1 1 20 20 LEU N N 11 119.442 119.442 117.879 1.563 18219
6289 1 13 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.015 -0.078 18219
6290 1 13 . 1 1 20 20 LEU C C 11 176.694 176.694 178.903 -2.209 18219
6291 1 13 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.903 -0.103 18219
6292 1 13 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.040 0.182 18219
6293 1 13 . 1 1 20 20 LEU H H 11 8.065 8.065 8.150 -0.085 18219
6294 1 13 . 1 1 21 21 VAL N N 12 118.323 118.323 120.167 -1.844 18219
6295 1 13 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.532 0.108 18219
6296 1 13 . 1 1 21 21 VAL C C 12 176.536 176.536 178.560 -2.024 18219
6297 1 13 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.816 -1.416 18219
6298 1 13 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.455 0.680 18219
6299 1 13 . 1 1 21 21 VAL H H 12 8.051 8.051 8.466 -0.415 18219
6300 1 13 . 1 1 22 22 THR N N 13 118.298 118.298 116.786 1.512 18219
6301 1 13 . 1 1 22 22 THR HA H 13 4.660 4.660 4.000 0.660 18219
6302 1 13 . 1 1 22 22 THR C C 13 173.734 173.734 176.387 -2.653 18219
6303 1 13 . 1 1 22 22 THR CA C 13 66.300 66.300 67.062 -0.762 18219
6304 1 13 . 1 1 22 22 THR CB C 13 67.775 67.775 68.642 -0.867 18219
6305 1 13 . 1 1 22 22 THR H H 13 7.944 7.944 7.866 0.078 18219
6306 1 13 . 1 1 23 23 PHE N N 14 121.328 121.328 122.324 -0.996 18219
6307 1 13 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.174 0.166 18219
6308 1 13 . 1 1 23 23 PHE C C 14 174.783 174.783 177.134 -2.351 18219
6309 1 13 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.314 -0.814 18219
6310 1 13 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.818 -0.192 18219
6311 1 13 . 1 1 23 23 PHE H H 14 8.567 8.567 8.373 0.194 18219
6312 1 13 . 1 1 24 24 GLY N N 15 106.871 106.871 105.313 1.558 18219
6313 1 13 . 1 1 24 24 GLY C C 15 172.858 172.858 176.773 -3.915 18219
6314 1 13 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.093 -0.193 18219
6315 1 13 . 1 1 24 24 GLY H H 15 8.475 8.475 8.929 -0.454 18219
6316 1 13 . 1 1 25 25 SER N N 16 116.214 116.214 117.790 -1.576 18219
6317 1 13 . 1 1 25 25 SER HA H 16 4.280 4.280 4.198 0.082 18219
6318 1 13 . 1 1 25 25 SER CA C 16 60.300 60.300 61.791 -1.491 18219
6319 1 13 . 1 1 25 25 SER CB C 16 62.879 62.879 63.275 -0.396 18219
6320 1 13 . 1 1 25 25 SER H H 16 7.963 7.963 7.852 0.111 18219
6321 1 13 . 1 1 26 26 ILE N N 17 121.024 121.024 121.770 -0.746 18219
6322 1 13 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.684 0.262 18219
6323 1 13 . 1 1 26 26 ILE C C 17 173.935 173.935 178.211 -4.276 18219
6324 1 13 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.522 -1.422 18219
6325 1 13 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.150 -0.043 18219
6326 1 13 . 1 1 26 26 ILE H H 17 7.676 7.676 7.912 -0.236 18219
6327 1 13 . 1 1 27 27 PHE N N 18 117.142 117.142 118.731 -1.589 18219
6328 1 13 . 1 1 27 27 PHE HA H 18 4.430 4.430 3.903 0.527 18219
6329 1 13 . 1 1 27 27 PHE C C 18 173.504 173.504 176.464 -2.960 18219
6330 1 13 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.583 -2.083 18219
6331 1 13 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.896 -0.122 18219
6332 1 13 . 1 1 27 27 PHE H H 18 7.703 7.703 8.032 -0.329 18219
6333 1 13 . 1 1 28 28 GLY N N 19 107.303 107.303 106.063 1.240 18219
6334 1 13 . 1 1 28 28 GLY C C 19 171.593 171.593 174.357 -2.764 18219
6335 1 13 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.427 0.173 18219
6336 1 13 . 1 1 28 28 GLY H H 19 7.722 7.722 7.680 0.042 18219
6337 1 13 . 1 1 29 29 TYR N N 20 119.862 119.862 118.025 1.837 18219
6338 1 13 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.146 0.246 18219
6339 1 13 . 1 1 29 29 TYR C C 20 173.174 173.174 175.022 -1.848 18219
6340 1 13 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.212 0.287 18219
6341 1 13 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.929 0.475 18219
6342 1 13 . 1 1 29 29 TYR H H 20 7.880 7.880 8.404 -0.524 18219
6343 1 13 . 1 1 30 30 LYS N N 21 122.335 122.335 123.675 -1.340 18219
6344 1 13 . 1 1 30 30 LYS HA H 21 4.390 4.390 3.988 0.402 18219
6345 1 13 . 1 1 30 30 LYS C C 21 173.547 173.547 176.781 -3.234 18219
6346 1 13 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.950 -1.150 18219
6347 1 13 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.968 -0.572 18219
6348 1 13 . 1 1 30 30 LYS H H 21 7.934 7.934 8.212 -0.278 18219
6349 1 13 . 1 1 31 31 ARG N N 22 120.612 120.612 122.871 -2.259 18219
6350 1 13 . 1 1 31 31 ARG C C 22 173.547 173.547 175.881 -2.334 18219
6351 1 13 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.009 -0.175 18219
6352 1 13 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.719 -0.618 18219
6353 1 13 . 1 1 31 31 ARG H H 22 7.905 7.905 8.604 -0.699 18219
6354 1 13 . 1 1 32 32 ARG N N 23 121.748 121.748 122.986 -1.238 18219
6355 1 13 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.409 -0.099 18219
6356 1 13 . 1 1 32 32 ARG C C 23 173.863 173.863 176.071 -2.208 18219
6357 1 13 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.700 -0.900 18219
6358 1 13 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.674 -0.429 18219
6359 1 13 . 1 1 32 32 ARG H H 23 8.175 8.175 8.473 -0.298 18219
6360 1 13 . 1 1 33 33 GLY N N 24 109.528 109.528 104.564 4.964 18219
6361 1 13 . 1 1 33 33 GLY C C 24 171.752 171.752 173.055 -1.303 18219
6362 1 13 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.080 -0.180 18219
6363 1 13 . 1 1 33 33 GLY H H 24 8.264 8.264 8.191 0.073 18219
6364 1 13 . 1 1 34 34 GLY N N 25 108.563 108.563 108.383 0.180 18219
6365 1 13 . 1 1 34 34 GLY C C 25 171.701 171.701 174.501 -2.800 18219
6366 1 13 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.660 -0.060 18219
6367 1 13 . 1 1 34 34 GLY H H 25 8.208 8.208 8.074 0.134 18219
6368 1 13 . 1 1 35 35 VAL N N 26 121.164 121.164 121.994 -0.830 18219
6369 1 13 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.976 0.034 18219
6370 1 13 . 1 1 35 35 VAL C C 26 175.888 175.888 175.718 0.170 18219
6371 1 13 . 1 1 35 35 VAL CA C 26 63.900 63.900 65.178 -1.278 18219
6372 1 13 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.620 -0.930 18219
6373 1 13 . 1 1 35 35 VAL H H 26 8.485 8.485 8.295 0.190 18219
6374 1 13 . 1 1 36 36 PRO C C 27 177.660 177.660 175.527 2.133 18219
6375 1 13 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.250 -1.403 18219
6376 1 13 . 1 1 37 37 SER N N 28 116.023 116.023 116.354 -0.331 18219
6377 1 13 . 1 1 37 37 SER HA H 28 4.280 4.280 4.653 -0.373 18219
6378 1 13 . 1 1 37 37 SER CA C 28 61.100 61.100 59.717 1.383 18219
6379 1 13 . 1 1 37 37 SER H H 28 7.948 7.948 8.314 -0.366 18219
6380 1 13 . 1 1 38 38 LEU N N 29 124.029 124.029 122.053 1.976 18219
6381 1 13 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.039 0.131 18219
6382 1 13 . 1 1 38 38 LEU C C 29 176.132 176.132 178.377 -2.245 18219
6383 1 13 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.224 -0.724 18219
6384 1 13 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.989 1.049 18219
6385 1 13 . 1 1 38 38 LEU H H 29 8.201 8.201 7.869 0.332 18219
6386 1 13 . 1 1 39 39 ILE N N 30 117.098 117.098 119.614 -2.516 18219
6387 1 13 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.681 0.689 18219
6388 1 13 . 1 1 39 39 ILE C C 30 176.478 176.478 177.670 -1.192 18219
6389 1 13 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.953 -0.874 18219
6390 1 13 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.886 0.087 18219
6391 1 13 . 1 1 39 39 ILE H H 30 7.662 7.662 8.368 -0.706 18219
6392 1 13 . 1 1 40 40 ALA N N 31 122.447 122.447 122.782 -0.335 18219
6393 1 13 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.004 0.030 18219
6394 1 13 . 1 1 40 40 ALA C C 31 177.067 177.067 179.822 -2.755 18219
6395 1 13 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.337 0.625 18219
6396 1 13 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.114 -0.258 18219
6397 1 13 . 1 1 40 40 ALA H H 31 8.096 8.096 7.275 0.821 18219
6398 1 13 . 1 1 41 41 GLY N N 32 104.056 104.056 107.507 -3.451 18219
6399 1 13 . 1 1 41 41 GLY C C 32 174.251 174.251 176.036 -1.785 18219
6400 1 13 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.923 -0.423 18219
6401 1 13 . 1 1 41 41 GLY H H 32 8.123 8.123 8.168 -0.045 18219
6402 1 13 . 1 1 42 42 LEU N N 33 123.250 123.250 123.043 0.207 18219
6403 1 13 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.930 -0.073 18219
6404 1 13 . 1 1 42 42 LEU C C 33 176.033 176.033 178.476 -2.443 18219
6405 1 13 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.189 -1.521 18219
6406 1 13 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.000 -0.279 18219
6407 1 13 . 1 1 42 42 LEU H H 33 7.914 7.914 8.492 -0.578 18219
6408 1 13 . 1 1 43 43 PHE N N 34 119.757 119.757 118.665 1.092 18219
6409 1 13 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.036 0.164 18219
6410 1 13 . 1 1 43 43 PHE C C 34 174.374 174.374 177.516 -3.142 18219
6411 1 13 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.424 -2.548 18219
6412 1 13 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.922 -0.089 18219
6413 1 13 . 1 1 43 43 PHE H H 34 8.287 8.287 8.587 -0.300 18219
6414 1 13 . 1 1 44 44 VAL N N 35 117.791 117.791 118.287 -0.496 18219
6415 1 13 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.767 -0.157 18219
6416 1 13 . 1 1 44 44 VAL C C 35 176.205 176.205 178.645 -2.440 18219
6417 1 13 . 1 1 44 44 VAL CA C 35 64.559 64.559 65.427 -0.868 18219
6418 1 13 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.762 0.670 18219
6419 1 13 . 1 1 44 44 VAL H H 35 8.235 8.235 8.295 -0.060 18219
6420 1 13 . 1 1 45 45 GLY N N 36 108.551 108.551 107.733 0.818 18219
6421 1 13 . 1 1 45 45 GLY C C 36 173.749 173.749 175.879 -2.130 18219
6422 1 13 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.250 -1.167 18219
6423 1 13 . 1 1 45 45 GLY H H 36 8.178 8.178 8.534 -0.356 18219
6424 1 13 . 1 1 46 46 CYS N N 37 121.173 121.173 122.581 -1.408 18219
6425 1 13 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.079 0.101 18219
6426 1 13 . 1 1 46 46 CYS C C 37 173.710 173.710 176.706 -2.996 18219
6427 1 13 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.855 -0.855 18219
6428 1 13 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.690 32.593 18219
6429 1 13 . 1 1 46 46 CYS H H 37 8.253 8.253 8.118 0.135 18219
6430 1 13 . 1 1 47 47 LEU N N 38 120.283 120.283 119.134 1.149 18219
6431 1 13 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.001 0.059 18219
6432 1 13 . 1 1 47 47 LEU C C 38 176.679 176.679 178.398 -1.719 18219
6433 1 13 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.173 -2.146 18219
6434 1 13 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.625 0.839 18219
6435 1 13 . 1 1 47 47 LEU H H 38 7.965 7.965 8.448 -0.483 18219
6436 1 13 . 1 1 48 48 ALA N N 39 122.249 122.249 122.854 -0.605 18219
6437 1 13 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.023 0.119 18219
6438 1 13 . 1 1 48 48 ALA C C 39 177.915 177.915 179.568 -1.653 18219
6439 1 13 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.292 -1.575 18219
6440 1 13 . 1 1 48 48 ALA CB C 39 17.985 17.985 17.956 0.030 18219
6441 1 13 . 1 1 48 48 ALA H H 39 8.066 8.066 8.188 -0.122 18219
6442 1 13 . 1 1 49 49 GLY N N 40 107.377 107.377 107.186 0.191 18219
6443 1 13 . 1 1 49 49 GLY C C 40 172.527 172.527 176.010 -3.483 18219
6444 1 13 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.981 -1.531 18219
6445 1 13 . 1 1 49 49 GLY H H 40 8.172 8.172 8.162 0.010 18219
6446 1 13 . 1 1 50 50 TYR N N 41 122.409 122.409 123.257 -0.848 18219
6447 1 13 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.118 -0.319 18219
6448 1 13 . 1 1 50 50 TYR C C 41 174.208 174.208 177.105 -2.897 18219
6449 1 13 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.171 -1.926 18219
6450 1 13 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.289 -0.353 18219
6451 1 13 . 1 1 50 50 TYR H H 41 7.800 7.800 8.397 -0.597 18219
6452 1 13 . 1 1 51 51 GLY N N 42 106.935 106.935 105.348 1.587 18219
6453 1 13 . 1 1 51 51 GLY C C 42 172.642 172.642 175.735 -3.093 18219
6454 1 13 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.713 0.552 18219
6455 1 13 . 1 1 51 51 GLY H H 42 8.199 8.199 7.964 0.235 18219
6456 1 13 . 1 1 52 52 ALA N N 43 123.018 123.018 125.054 -2.036 18219
6457 1 13 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.166 -0.016 18219
6458 1 13 . 1 1 52 52 ALA C C 43 176.398 176.398 177.200 -0.802 18219
6459 1 13 . 1 1 52 52 ALA CA C 43 52.883 52.883 52.524 0.359 18219
6460 1 13 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.930 -0.689 18219
6461 1 13 . 1 1 52 52 ALA H H 43 7.758 7.758 7.909 -0.151 18219
6462 1 13 . 1 1 53 53 TYR N N 44 119.664 119.664 120.850 -1.186 18219
6463 1 13 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.167 0.151 18219
6464 1 13 . 1 1 53 53 TYR C C 44 174.180 174.180 175.391 -1.211 18219
6465 1 13 . 1 1 53 53 TYR CA C 44 58.593 58.593 59.937 -1.344 18219
6466 1 13 . 1 1 53 53 TYR CB C 44 38.192 38.192 37.589 0.603 18219
6467 1 13 . 1 1 53 53 TYR H H 44 7.920 7.920 7.962 -0.042 18219
6468 1 13 . 1 1 54 54 ARG N N 45 119.516 119.516 125.024 -5.508 18219
6469 1 13 . 1 1 54 54 ARG HA H 45 3.930 3.930 3.865 0.065 18219
6470 1 13 . 1 1 54 54 ARG C C 45 174.423 174.423 175.485 -1.062 18219
6471 1 13 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.743 -1.716 18219
6472 1 13 . 1 1 54 54 ARG CB C 45 30.173 30.173 29.501 0.672 18219
6473 1 13 . 1 1 54 54 ARG H H 45 7.956 7.956 8.603 -0.647 18219
6474 1 13 . 1 1 55 55 VAL N N 46 116.437 116.437 115.010 1.427 18219
6475 1 13 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.604 0.456 18219
6476 1 13 . 1 1 55 55 VAL C C 46 173.806 173.806 175.311 -1.505 18219
6477 1 13 . 1 1 55 55 VAL CA C 46 62.300 62.300 64.494 -2.194 18219
6478 1 13 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.110 0.411 18219
6479 1 13 . 1 1 55 55 VAL H H 46 7.489 7.489 8.013 -0.524 18219
6480 1 13 . 1 1 56 56 SER N N 47 117.185 117.185 114.457 2.728 18219
6481 1 13 . 1 1 56 56 SER HA H 47 4.401 4.401 4.456 -0.055 18219
6482 1 13 . 1 1 56 56 SER C C 47 172.074 172.074 174.543 -2.469 18219
6483 1 13 . 1 1 56 56 SER CA C 47 58.133 58.133 59.409 -1.276 18219
6484 1 13 . 1 1 56 56 SER CB C 47 63.468 63.468 62.757 0.711 18219
6485 1 13 . 1 1 56 56 SER H H 47 7.728 7.728 8.076 -0.348 18219
6486 1 13 . 1 1 57 57 ASN N N 48 121.049 121.049 119.593 1.456 18219
6487 1 13 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.762 -0.172 18219
6488 1 13 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.556 -0.956 18219
6489 1 13 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.703 -1.062 18219
6490 1 13 . 1 1 57 57 ASN H H 48 8.228 8.228 7.806 0.422 18219
6491 1 13 . 1 1 58 58 ASP N N 49 120.276 120.276 118.594 1.682 18219
6492 1 13 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.696 -0.166 18219
6493 1 13 . 1 1 58 58 ASP CA C 49 54.202 54.202 53.103 1.099 18219
6494 1 13 . 1 1 58 58 ASP CB C 49 40.374 40.374 42.035 -1.661 18219
6495 1 13 . 1 1 58 58 ASP H H 49 8.192 8.192 7.974 0.218 18219
6496 1 13 . 1 1 59 59 LYS N N 50 120.660 120.660 118.171 2.489 18219
6497 1 13 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.965 0.235 18219
6498 1 13 . 1 1 59 59 LYS C C 50 173.474 173.474 176.665 -3.191 18219
6499 1 13 . 1 1 59 59 LYS CA C 50 56.300 56.300 58.357 -2.057 18219
6500 1 13 . 1 1 59 59 LYS CB C 50 32.034 32.034 31.097 0.937 18219
6501 1 13 . 1 1 59 59 LYS H H 50 8.003 8.003 8.152 -0.149 18219
6502 1 13 . 1 1 60 60 ARG N N 51 121.278 121.278 120.278 1.000 18219
6503 1 13 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.107 0.093 18219
6504 1 13 . 1 1 60 60 ARG C C 51 173.303 173.303 175.524 -2.221 18219
6505 1 13 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.386 -1.103 18219
6506 1 13 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.462 -0.224 18219
6507 1 13 . 1 1 60 60 ARG H H 51 8.091 8.091 8.390 -0.299 18219
6508 1 13 . 1 1 61 61 ASP N N 52 121.185 121.185 118.901 2.284 18219
6509 1 13 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.720 -0.105 18219
6510 1 13 . 1 1 61 61 ASP C C 52 173.777 173.777 178.221 -4.444 18219
6511 1 13 . 1 1 61 61 ASP CA C 52 53.979 53.979 56.498 -2.519 18219
6512 1 13 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.537 -1.292 18219
6513 1 13 . 1 1 61 61 ASP H H 52 8.261 8.261 8.336 -0.075 18219
6514 1 13 . 1 1 62 62 VAL N N 53 121.902 121.902 119.483 2.419 18219
6515 1 13 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.739 0.211 18219
6516 1 13 . 1 1 62 62 VAL C C 53 173.279 173.279 177.921 -4.642 18219
6517 1 13 . 1 1 62 62 VAL CA C 53 63.176 63.176 66.383 -3.207 18219
6518 1 13 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.544 0.555 18219
6519 1 13 . 1 1 62 62 VAL H H 53 7.997 7.997 8.230 -0.233 18219
6520 1 13 . 1 1 63 63 LYS N N 54 123.522 123.522 119.268 4.254 18219
6521 1 13 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.146 0.114 18219
6522 1 13 . 1 1 63 63 LYS C C 54 174.481 174.481 178.496 -4.015 18219
6523 1 13 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.709 -3.362 18219
6524 1 13 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.124 -0.025 18219
6525 1 13 . 1 1 63 63 LYS H H 54 8.054 8.054 7.892 0.162 18219
6526 1 13 . 1 1 64 64 VAL N N 55 120.647 120.647 119.918 0.729 18219
6527 1 13 . 1 1 64 64 VAL HA H 55 3.947 3.947 4.005 -0.058 18219
6528 1 13 . 1 1 64 64 VAL C C 55 174.955 174.955 177.862 -2.907 18219
6529 1 13 . 1 1 64 64 VAL CA C 55 64.600 64.600 64.150 0.450 18219
6530 1 13 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.156 0.721 18219
6531 1 13 . 1 1 64 64 VAL H H 55 8.225 8.225 8.354 -0.129 18219
6532 1 13 . 1 1 65 65 SER N N 56 117.785 117.785 117.326 0.459 18219
6533 1 13 . 1 1 65 65 SER HA H 56 4.390 4.390 4.187 0.203 18219
6534 1 13 . 1 1 65 65 SER C C 56 172.300 172.300 176.561 -4.261 18219
6535 1 13 . 1 1 65 65 SER CA C 56 60.000 60.000 62.652 -2.652 18219
6536 1 13 . 1 1 65 65 SER CB C 56 62.879 62.879 63.067 -0.188 18219
6537 1 13 . 1 1 65 65 SER H H 56 8.260 8.260 8.271 -0.011 18219
6538 1 13 . 1 1 66 66 LEU N N 57 123.318 123.318 122.432 0.886 18219
6539 1 13 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.136 -0.046 18219
6540 1 13 . 1 1 66 66 LEU C C 57 175.932 175.932 178.233 -2.301 18219
6541 1 13 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.436 -0.934 18219
6542 1 13 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.361 -0.640 18219
6543 1 13 . 1 1 66 66 LEU H H 57 8.091 8.091 8.162 -0.071 18219
6544 1 13 . 1 1 67 67 PHE N N 58 118.020 118.020 118.585 -0.565 18219
6545 1 13 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.244 0.086 18219
6546 1 13 . 1 1 67 67 PHE C C 58 174.912 174.912 177.494 -2.582 18219
6547 1 13 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.861 -1.261 18219
6548 1 13 . 1 1 67 67 PHE CB C 58 38.552 38.552 39.076 -0.524 18219
6549 1 13 . 1 1 67 67 PHE H H 58 8.066 8.066 8.585 -0.519 18219
6550 1 13 . 1 1 68 68 THR N N 59 115.324 115.324 116.578 -1.254 18219
6551 1 13 . 1 1 68 68 THR HA H 59 4.310 4.310 4.190 0.120 18219
6552 1 13 . 1 1 68 68 THR C C 59 173.380 173.380 176.327 -2.947 18219
6553 1 13 . 1 1 68 68 THR CA C 59 66.313 66.313 66.736 -0.423 18219
6554 1 13 . 1 1 68 68 THR CB C 59 67.700 67.700 68.775 -1.075 18219
6555 1 13 . 1 1 68 68 THR H H 59 8.287 8.287 8.116 0.171 18219
6556 1 13 . 1 1 69 69 ALA N N 60 123.621 123.621 124.676 -1.055 18219
6557 1 13 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.093 0.187 18219
6558 1 13 . 1 1 69 69 ALA C C 60 176.978 176.978 180.016 -3.038 18219
6559 1 13 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.213 -0.113 18219
6560 1 13 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.088 -0.360 18219
6561 1 13 . 1 1 69 69 ALA H H 60 7.983 7.983 8.107 -0.124 18219
6562 1 13 . 1 1 70 70 PHE N N 61 118.520 118.520 118.120 0.400 18219
6563 1 13 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.144 0.116 18219
6564 1 13 . 1 1 70 70 PHE C C 61 175.369 175.369 177.553 -2.184 18219
6565 1 13 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.656 -1.477 18219
6566 1 13 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.734 -0.028 18219
6567 1 13 . 1 1 70 70 PHE H H 61 8.007 8.007 8.692 -0.685 18219
6568 1 13 . 1 1 71 71 PHE N N 62 122.314 122.314 120.267 2.047 18219
6569 1 13 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.033 -0.033 18219
6570 1 13 . 1 1 71 71 PHE C C 62 174.697 174.697 177.285 -2.588 18219
6571 1 13 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.929 -1.412 18219
6572 1 13 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.975 -0.205 18219
6573 1 13 . 1 1 71 71 PHE H H 62 8.546 8.546 8.082 0.464 18219
6574 1 13 . 1 1 72 72 LEU N N 63 119.399 119.399 120.478 -1.079 18219
6575 1 13 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.679 0.191 18219
6576 1 13 . 1 1 72 72 LEU C C 63 175.774 175.774 178.396 -2.622 18219
6577 1 13 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.660 -1.735 18219
6578 1 13 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.437 -0.230 18219
6579 1 13 . 1 1 72 72 LEU H H 63 8.396 8.396 8.905 -0.509 18219
6580 1 13 . 1 1 73 73 ALA N N 64 120.221 120.221 119.925 0.296 18219
6581 1 13 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.809 0.151 18219
6582 1 13 . 1 1 73 73 ALA C C 64 177.267 177.267 179.390 -2.123 18219
6583 1 13 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.505 -0.905 18219
6584 1 13 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.788 -0.003 18219
6585 1 13 . 1 1 73 73 ALA H H 64 8.025 8.025 8.296 -0.271 18219
6586 1 13 . 1 1 74 74 THR N N 65 113.648 113.648 115.479 -1.831 18219
6587 1 13 . 1 1 74 74 THR HA H 65 3.980 3.980 3.943 0.037 18219
6588 1 13 . 1 1 74 74 THR CA C 65 66.291 66.291 66.612 -0.321 18219
6589 1 13 . 1 1 74 74 THR CB C 65 67.914 67.914 68.750 -0.836 18219
6590 1 13 . 1 1 74 74 THR H H 65 7.717 7.717 7.678 0.039 18219
6591 1 13 . 1 1 75 75 ILE N N 66 120.291 120.291 119.784 0.507 18219
6592 1 13 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.445 0.295 18219
6593 1 13 . 1 1 75 75 ILE C C 66 174.951 174.951 177.998 -3.047 18219
6594 1 13 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.021 0.859 18219
6595 1 13 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.416 -0.250 18219
6596 1 13 . 1 1 75 75 ILE H H 66 7.738 7.738 7.823 -0.085 18219
6597 1 13 . 1 1 76 76 MET N N 67 117.618 117.618 117.444 0.174 18219
6598 1 13 . 1 1 76 76 MET HA H 67 4.220 4.220 4.114 0.106 18219
6599 1 13 . 1 1 76 76 MET C C 67 175.142 175.142 177.558 -2.416 18219
6600 1 13 . 1 1 76 76 MET CA C 67 56.723 56.723 57.906 -1.183 18219
6601 1 13 . 1 1 76 76 MET CB C 67 31.951 31.951 33.585 -1.634 18219
6602 1 13 . 1 1 76 76 MET H H 67 7.823 7.823 8.356 -0.533 18219
6603 1 13 . 1 1 77 77 GLY N N 68 107.110 107.110 105.771 1.339 18219
6604 1 13 . 1 1 77 77 GLY C C 68 172.260 172.260 175.677 -3.417 18219
6605 1 13 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.493 0.307 18219
6606 1 13 . 1 1 77 77 GLY H H 68 7.937 7.937 8.387 -0.450 18219
6607 1 13 . 1 1 78 78 VAL N N 69 120.431 120.431 118.319 2.112 18219
6608 1 13 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.676 0.544 18219
6609 1 13 . 1 1 78 78 VAL CA C 69 63.900 63.900 65.195 -1.295 18219
6610 1 13 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.896 -0.390 18219
6611 1 13 . 1 1 78 78 VAL H H 69 7.697 7.697 8.195 -0.498 18219
6612 1 13 . 1 1 79 79 ARG N N 70 121.420 121.420 115.700 5.720 18219
6613 1 13 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.445 -0.635 18219
6614 1 13 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.888 0.512 18219
6615 1 13 . 1 1 79 79 ARG CB C 70 30.097 30.097 32.436 -2.339 18219
6616 1 13 . 1 1 79 79 ARG H H 70 7.889 7.889 7.668 0.221 18219
6617 1 13 . 1 1 80 80 PHE N N 71 119.949 119.949 125.682 -5.733 18219
6618 1 13 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.675 -0.165 18219
6619 1 13 . 1 1 80 80 PHE CA C 71 58.600 58.600 57.494 1.106 18219
6620 1 13 . 1 1 80 80 PHE CB C 71 39.145 39.145 38.669 0.476 18219
6621 1 13 . 1 1 80 80 PHE H H 71 8.101 8.101 8.816 -0.715 18219
6622 1 13 . 1 1 81 81 LYS N N 72 122.193 122.193 125.624 -3.431 18219
6623 1 13 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.876 -0.076 18219
6624 1 13 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.213 -1.891 18219
6625 1 13 . 1 1 81 81 LYS H H 72 8.090 8.090 7.971 0.119 18219
6626 1 13 . 1 1 82 82 ARG N N 73 119.650 119.650 125.156 -5.506 18219
6627 1 13 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.767 -0.678 18219
6628 1 13 . 1 1 82 82 ARG CB C 73 30.171 30.171 28.719 1.452 18219
6629 1 13 . 1 1 82 82 ARG H H 73 8.052 8.052 8.693 -0.641 18219
6630 1 13 . 1 1 83 83 SER N N 74 115.734 115.734 115.999 -0.265 18219
6631 1 13 . 1 1 83 83 SER CA C 74 58.355 58.355 58.999 -0.644 18219
6632 1 13 . 1 1 83 83 SER CB C 74 63.404 63.404 63.730 -0.326 18219
6633 1 13 . 1 1 83 83 SER H H 74 7.912 7.912 8.365 -0.453 18219
6634 1 13 . 1 1 84 84 LYS N N 75 122.370 122.370 121.763 0.607 18219
6635 1 13 . 1 1 84 84 LYS CA C 75 56.135 56.135 58.044 -1.909 18219
6636 1 13 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.839 -0.664 18219
6637 1 13 . 1 1 84 84 LYS H H 75 8.067 8.067 8.097 -0.030 18219
6638 1 13 . 1 1 86 86 ILE N N 77 119.592 119.592 118.314 1.278 18219
6639 1 13 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.959 -0.149 18219
6640 1 13 . 1 1 86 86 ILE CA C 77 64.900 64.900 63.094 1.806 18219
6641 1 13 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.351 0.794 18219
6642 1 13 . 1 1 86 86 ILE H H 77 7.837 7.837 7.960 -0.123 18219
6643 1 13 . 1 1 87 87 MET N N 78 121.645 121.645 118.723 2.922 18219
6644 1 13 . 1 1 87 87 MET CA C 78 52.982 52.982 59.671 -6.689 18219
6645 1 13 . 1 1 87 87 MET CB C 78 32.173 32.173 31.423 0.750 18219
6646 1 13 . 1 1 87 87 MET H H 78 7.950 7.950 8.030 -0.080 18219
6647 1 13 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.574 -0.434 18219
6648 1 13 . 1 1 88 88 PRO C C 79 173.921 173.921 175.906 -1.985 18219
6649 1 13 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.647 0.153 18219
6650 1 13 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.366 1.770 18219
6651 1 13 . 1 1 89 89 ALA N N 80 124.431 124.431 123.512 0.919 18219
6652 1 13 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.337 0.063 18219
6653 1 13 . 1 1 89 89 ALA C C 80 176.234 176.234 178.864 -2.630 18219
6654 1 13 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.574 -1.274 18219
6655 1 13 . 1 1 89 89 ALA CB C 80 18.498 18.498 19.477 -0.979 18219
6656 1 13 . 1 1 89 89 ALA H H 80 8.320 8.320 8.371 -0.051 18219
6657 1 13 . 1 1 90 90 GLY N N 81 106.834 106.834 106.968 -0.134 18219
6658 1 13 . 1 1 90 90 GLY C C 81 172.398 172.398 175.458 -3.060 18219
6659 1 13 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.914 -1.314 18219
6660 1 13 . 1 1 90 90 GLY H H 81 8.458 8.458 8.328 0.130 18219
6661 1 13 . 1 1 91 91 LEU N N 82 121.043 121.043 120.984 0.059 18219
6662 1 13 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.954 0.246 18219
6663 1 13 . 1 1 91 91 LEU C C 82 174.783 174.783 178.867 -4.084 18219
6664 1 13 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.562 -1.262 18219
6665 1 13 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.077 0.029 18219
6666 1 13 . 1 1 91 91 LEU H H 82 7.687 7.687 7.624 0.063 18219
6667 1 13 . 1 1 92 92 VAL N N 83 114.737 114.737 118.682 -3.945 18219
6668 1 13 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.574 0.406 18219
6669 1 13 . 1 1 92 92 VAL C C 83 173.634 173.634 177.881 -4.247 18219
6670 1 13 . 1 1 92 92 VAL CA C 83 62.400 62.400 67.109 -4.709 18219
6671 1 13 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.371 0.214 18219
6672 1 13 . 1 1 92 92 VAL H H 83 7.602 7.602 7.575 0.027 18219
6673 1 13 . 1 1 93 93 ALA N N 84 124.320 124.320 120.866 3.454 18219
6674 1 13 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.000 0.150 18219
6675 1 13 . 1 1 93 93 ALA C C 84 175.746 175.746 179.871 -4.125 18219
6676 1 13 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.371 -2.071 18219
6677 1 13 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.847 0.394 18219
6678 1 13 . 1 1 93 93 ALA H H 84 7.891 7.891 8.365 -0.474 18219
6679 1 13 . 1 1 94 94 GLY N N 85 106.807 106.807 107.440 -0.633 18219
6680 1 13 . 1 1 94 94 GLY C C 85 171.752 171.752 176.031 -4.279 18219
6681 1 13 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.639 -1.390 18219
6682 1 13 . 1 1 94 94 GLY H H 85 8.204 8.204 7.917 0.287 18219
6683 1 13 . 1 1 95 95 LEU N N 86 121.266 121.266 122.028 -0.762 18219
6684 1 13 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.165 0.215 18219
6685 1 13 . 1 1 95 95 LEU C C 86 173.702 173.702 179.409 -5.707 18219
6686 1 13 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.295 -2.295 18219
6687 1 13 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.254 1.044 18219
6688 1 13 . 1 1 95 95 LEU H H 86 7.718 7.718 8.101 -0.383 18219
6689 1 13 . 1 1 96 96 SER N N 87 115.658 115.658 116.102 -0.444 18219
6690 1 13 . 1 1 96 96 SER HA H 87 4.370 4.370 4.117 0.253 18219
6691 1 13 . 1 1 96 96 SER C C 87 172.479 172.479 176.541 -4.062 18219
6692 1 13 . 1 1 96 96 SER CA C 87 57.200 57.200 62.758 -5.558 18219
6693 1 13 . 1 1 96 96 SER CB C 87 64.174 64.174 63.103 1.071 18219
6694 1 13 . 1 1 96 96 SER H H 87 7.659 7.659 8.215 -0.556 18219
6695 1 13 . 1 1 97 97 LEU N N 88 123.720 123.720 122.023 1.697 18219
6696 1 13 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.986 0.614 18219
6697 1 13 . 1 1 97 97 LEU C C 88 175.932 175.932 178.859 -2.927 18219
6698 1 13 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.068 -0.468 18219
6699 1 13 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.998 -0.598 18219
6700 1 13 . 1 1 97 97 LEU H H 88 8.733 8.733 8.069 0.664 18219
6701 1 13 . 1 1 98 98 MET N N 89 116.684 116.684 119.742 -3.058 18219
6702 1 13 . 1 1 98 98 MET HA H 89 4.280 4.280 4.105 0.175 18219
6703 1 13 . 1 1 98 98 MET C C 89 175.789 175.789 178.025 -2.236 18219
6704 1 13 . 1 1 98 98 MET CA C 89 56.915 56.915 58.804 -1.889 18219
6705 1 13 . 1 1 98 98 MET CB C 89 31.007 31.007 32.546 -1.539 18219
6706 1 13 . 1 1 98 98 MET H H 89 8.342 8.342 8.091 0.251 18219
6707 1 13 . 1 1 99 99 MET N N 90 119.182 119.182 117.689 1.493 18219
6708 1 13 . 1 1 99 99 MET HA H 90 4.110 4.110 4.091 0.019 18219
6709 1 13 . 1 1 99 99 MET C C 90 175.588 175.588 178.776 -3.188 18219
6710 1 13 . 1 1 99 99 MET CA C 90 57.951 57.951 58.952 -1.001 18219
6711 1 13 . 1 1 99 99 MET CB C 90 32.226 32.226 32.173 0.053 18219
6712 1 13 . 1 1 99 99 MET H H 90 7.720 7.720 8.220 -0.500 18219
6713 1 13 . 1 1 100 100 ILE N N 91 119.077 119.077 119.971 -0.894 18219
6714 1 13 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.897 0.213 18219
6715 1 13 . 1 1 100 100 ILE C C 91 174.634 174.634 177.391 -2.757 18219
6716 1 13 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.157 -0.057 18219
6717 1 13 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.364 -1.221 18219
6718 1 13 . 1 1 100 100 ILE H H 91 7.662 7.662 8.278 -0.616 18219
6719 1 13 . 1 1 101 101 LEU N N 92 119.646 119.646 120.843 -1.197 18219
6720 1 13 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.043 0.487 18219
6721 1 13 . 1 1 101 101 LEU C C 92 175.430 175.430 177.980 -2.550 18219
6722 1 13 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.451 0.349 18219
6723 1 13 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.766 -1.008 18219
6724 1 13 . 1 1 101 101 LEU H H 92 8.142 8.142 7.713 0.429 18219
6725 1 13 . 1 1 102 102 ARG N N 93 116.394 116.394 117.652 -1.258 18219
6726 1 13 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.336 -0.196 18219
6727 1 13 . 1 1 102 102 ARG C C 93 175.961 175.961 178.742 -2.781 18219
6728 1 13 . 1 1 102 102 ARG CA C 93 59.100 59.100 57.580 1.520 18219
6729 1 13 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.819 -1.415 18219
6730 1 13 . 1 1 102 102 ARG H H 93 7.893 7.893 7.980 -0.087 18219
6731 1 13 . 1 1 103 103 LEU N N 94 119.114 119.114 121.936 -2.822 18219
6732 1 13 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.155 -0.045 18219
6733 1 13 . 1 1 103 103 LEU C C 94 175.889 175.889 179.053 -3.164 18219
6734 1 13 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.272 0.028 18219
6735 1 13 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.901 -0.605 18219
6736 1 13 . 1 1 103 103 LEU H H 94 7.622 7.622 8.194 -0.572 18219
6737 1 13 . 1 1 104 104 VAL N N 95 117.704 117.704 120.649 -2.945 18219
6738 1 13 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.680 -0.150 18219
6739 1 13 . 1 1 104 104 VAL C C 95 175.042 175.042 177.096 -2.054 18219
6740 1 13 . 1 1 104 104 VAL CA C 95 66.419 66.419 66.150 0.269 18219
6741 1 13 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.635 -0.278 18219
6742 1 13 . 1 1 104 104 VAL H H 95 8.026 8.026 7.880 0.146 18219
6743 1 13 . 1 1 105 105 LEU N N 96 117.185 117.185 112.829 4.356 18219
6744 1 13 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.630 -0.650 18219
6745 1 13 . 1 1 105 105 LEU C C 96 176.579 176.579 176.708 -0.129 18219
6746 1 13 . 1 1 105 105 LEU CA C 96 56.800 56.800 53.684 3.116 18219
6747 1 13 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.429 -0.478 18219
6748 1 13 . 1 1 105 105 LEU H H 96 7.893 7.893 7.536 0.357 18219
6749 1 13 . 1 1 106 106 LEU N N 97 118.471 118.471 120.332 -1.861 18219
6750 1 13 . 1 1 106 106 LEU HA H 97 4.180 4.180 4.005 0.175 18219
6751 1 13 . 1 1 106 106 LEU C C 97 175.802 175.802 176.568 -0.766 18219
6752 1 13 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.848 0.452 18219
6753 1 13 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.374 0.218 18219
6754 1 13 . 1 1 106 106 LEU H H 97 7.545 7.545 8.119 -0.574 18219
6755 1 13 . 1 1 107 107 LEU N N 98 118.162 118.162 119.697 -1.535 18219
6756 1 13 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.546 -0.316 18219
6757 1 13 . 1 1 107 107 LEU C C 98 174.174 174.174 177.229 -3.055 18219
6758 1 13 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.438 0.845 18219
6759 1 13 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.744 -0.382 18219
6760 1 13 . 1 1 107 107 LEU H H 98 7.688 7.688 7.670 0.018 18219
6761 1 14 . 1 1 11 11 ASP N N 2 120.536 120.536 122.300 -1.764 18219
6762 1 14 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.504 1.414 18219
6763 1 14 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.166 -3.207 18219
6764 1 14 . 1 1 11 11 ASP H H 2 7.863 7.863 8.430 -0.567 18219
6765 1 14 . 1 1 12 12 LEU N N 3 121.414 121.414 125.482 -4.068 18219
6766 1 14 . 1 1 12 12 LEU C C 3 176.162 176.162 178.241 -2.079 18219
6767 1 14 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.312 2.288 18219
6768 1 14 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.908 -1.252 18219
6769 1 14 . 1 1 12 12 LEU H H 3 8.285 8.285 8.453 -0.168 18219
6770 1 14 . 1 1 13 13 ILE N N 4 118.854 118.854 119.266 -0.412 18219
6771 1 14 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.882 -0.142 18219
6772 1 14 . 1 1 13 13 ILE C C 4 175.228 175.228 178.035 -2.807 18219
6773 1 14 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.204 1.296 18219
6774 1 14 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.303 -1.201 18219
6775 1 14 . 1 1 13 13 ILE H H 4 8.031 8.031 7.980 0.051 18219
6776 1 14 . 1 1 14 14 GLY N N 5 107.478 107.478 106.389 1.089 18219
6777 1 14 . 1 1 14 14 GLY C C 5 174.424 174.424 175.777 -1.353 18219
6778 1 14 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.525 0.534 18219
6779 1 14 . 1 1 14 14 GLY H H 5 8.148 8.148 8.447 -0.299 18219
6780 1 14 . 1 1 15 15 PHE N N 6 122.774 122.774 123.766 -0.992 18219
6781 1 14 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.390 0.090 18219
6782 1 14 . 1 1 15 15 PHE C C 6 175.113 175.113 177.057 -1.944 18219
6783 1 14 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.066 -1.049 18219
6784 1 14 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.478 0.296 18219
6785 1 14 . 1 1 15 15 PHE H H 6 8.194 8.194 7.890 0.304 18219
6786 1 14 . 1 1 16 16 GLY N N 7 107.938 107.938 106.530 1.408 18219
6787 1 14 . 1 1 16 16 GLY C C 7 171.838 171.838 175.751 -3.913 18219
6788 1 14 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.496 -0.396 18219
6789 1 14 . 1 1 16 16 GLY H H 7 8.697 8.697 8.572 0.125 18219
6790 1 14 . 1 1 17 17 TYR N N 8 121.785 121.785 123.301 -1.516 18219
6791 1 14 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.086 0.064 18219
6792 1 14 . 1 1 17 17 TYR C C 8 174.180 174.180 177.602 -3.422 18219
6793 1 14 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.198 0.102 18219
6794 1 14 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.368 -0.409 18219
6795 1 14 . 1 1 17 17 TYR H H 8 8.710 8.710 8.160 0.550 18219
6796 1 14 . 1 1 18 18 ALA N N 9 120.233 120.233 119.217 1.016 18219
6797 1 14 . 1 1 18 18 ALA HA H 9 3.950 3.950 4.034 -0.084 18219
6798 1 14 . 1 1 18 18 ALA C C 9 178.059 178.059 179.039 -0.980 18219
6799 1 14 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.726 0.146 18219
6800 1 14 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.696 -0.134 18219
6801 1 14 . 1 1 18 18 ALA H H 9 7.843 7.843 8.108 -0.265 18219
6802 1 14 . 1 1 19 19 ALA N N 10 121.797 121.797 123.072 -1.275 18219
6803 1 14 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.024 -0.074 18219
6804 1 14 . 1 1 19 19 ALA C C 10 176.191 176.191 179.444 -3.253 18219
6805 1 14 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.803 -0.203 18219
6806 1 14 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.215 -0.653 18219
6807 1 14 . 1 1 19 19 ALA H H 10 8.212 8.212 7.502 0.710 18219
6808 1 14 . 1 1 20 20 LEU N N 11 119.442 119.442 117.977 1.465 18219
6809 1 14 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.945 -0.008 18219
6810 1 14 . 1 1 20 20 LEU C C 11 176.694 176.694 178.780 -2.086 18219
6811 1 14 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.847 -0.047 18219
6812 1 14 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.074 0.148 18219
6813 1 14 . 1 1 20 20 LEU H H 11 8.065 8.065 7.969 0.096 18219
6814 1 14 . 1 1 21 21 VAL N N 12 118.323 118.323 120.402 -2.079 18219
6815 1 14 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.515 0.125 18219
6816 1 14 . 1 1 21 21 VAL C C 12 176.536 176.536 178.378 -1.842 18219
6817 1 14 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.980 -1.579 18219
6818 1 14 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.335 -0.200 18219
6819 1 14 . 1 1 21 21 VAL H H 12 8.051 8.051 8.441 -0.390 18219
6820 1 14 . 1 1 22 22 THR N N 13 118.298 118.298 116.428 1.870 18219
6821 1 14 . 1 1 22 22 THR HA H 13 4.660 4.660 4.058 0.602 18219
6822 1 14 . 1 1 22 22 THR C C 13 173.734 173.734 176.452 -2.718 18219
6823 1 14 . 1 1 22 22 THR CA C 13 66.300 66.300 66.596 -0.296 18219
6824 1 14 . 1 1 22 22 THR CB C 13 67.775 67.775 68.464 -0.689 18219
6825 1 14 . 1 1 22 22 THR H H 13 7.944 7.944 7.955 -0.011 18219
6826 1 14 . 1 1 23 23 PHE N N 14 121.328 121.328 122.466 -1.138 18219
6827 1 14 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.278 0.062 18219
6828 1 14 . 1 1 23 23 PHE C C 14 174.783 174.783 177.437 -2.654 18219
6829 1 14 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.943 -1.443 18219
6830 1 14 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.930 -0.304 18219
6831 1 14 . 1 1 23 23 PHE H H 14 8.567 8.567 8.457 0.110 18219
6832 1 14 . 1 1 24 24 GLY N N 15 106.871 106.871 105.176 1.695 18219
6833 1 14 . 1 1 24 24 GLY C C 15 172.858 172.858 176.640 -3.782 18219
6834 1 14 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.188 -0.288 18219
6835 1 14 . 1 1 24 24 GLY H H 15 8.475 8.475 8.911 -0.436 18219
6836 1 14 . 1 1 25 25 SER N N 16 116.214 116.214 118.739 -2.525 18219
6837 1 14 . 1 1 25 25 SER HA H 16 4.280 4.280 4.297 -0.017 18219
6838 1 14 . 1 1 25 25 SER CA C 16 60.300 60.300 62.305 -2.005 18219
6839 1 14 . 1 1 25 25 SER CB C 16 62.879 62.879 63.297 -0.417 18219
6840 1 14 . 1 1 25 25 SER H H 16 7.963 7.963 8.007 -0.044 18219
6841 1 14 . 1 1 26 26 ILE N N 17 121.024 121.024 121.536 -0.512 18219
6842 1 14 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.830 0.116 18219
6843 1 14 . 1 1 26 26 ILE C C 17 173.935 173.935 177.800 -3.865 18219
6844 1 14 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.097 -1.997 18219
6845 1 14 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.150 -0.043 18219
6846 1 14 . 1 1 26 26 ILE H H 17 7.676 7.676 8.044 -0.368 18219
6847 1 14 . 1 1 27 27 PHE N N 18 117.142 117.142 120.444 -3.302 18219
6848 1 14 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.095 0.335 18219
6849 1 14 . 1 1 27 27 PHE C C 18 173.504 173.504 177.522 -4.018 18219
6850 1 14 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.446 -1.946 18219
6851 1 14 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.641 0.133 18219
6852 1 14 . 1 1 27 27 PHE H H 18 7.703 7.703 8.334 -0.631 18219
6853 1 14 . 1 1 28 28 GLY N N 19 107.303 107.303 106.639 0.664 18219
6854 1 14 . 1 1 28 28 GLY C C 19 171.593 171.593 174.097 -2.504 18219
6855 1 14 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.963 -0.363 18219
6856 1 14 . 1 1 28 28 GLY H H 19 7.722 7.722 7.898 -0.176 18219
6857 1 14 . 1 1 29 29 TYR N N 20 119.862 119.862 118.152 1.710 18219
6858 1 14 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.102 0.290 18219
6859 1 14 . 1 1 29 29 TYR C C 20 173.174 173.174 175.223 -2.049 18219
6860 1 14 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.930 -0.430 18219
6861 1 14 . 1 1 29 29 TYR CB C 20 38.404 38.404 39.135 -0.731 18219
6862 1 14 . 1 1 29 29 TYR H H 20 7.880 7.880 7.631 0.249 18219
6863 1 14 . 1 1 30 30 LYS N N 21 122.335 122.335 121.577 0.758 18219
6864 1 14 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.147 0.243 18219
6865 1 14 . 1 1 30 30 LYS C C 21 173.547 173.547 175.917 -2.370 18219
6866 1 14 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.232 -1.432 18219
6867 1 14 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.990 -0.595 18219
6868 1 14 . 1 1 30 30 LYS H H 21 7.934 7.934 7.931 0.003 18219
6869 1 14 . 1 1 31 31 ARG N N 22 120.612 120.612 121.166 -0.554 18219
6870 1 14 . 1 1 31 31 ARG C C 22 173.547 173.547 176.764 -3.217 18219
6871 1 14 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.209 0.625 18219
6872 1 14 . 1 1 31 31 ARG CB C 22 30.101 30.101 31.920 -1.819 18219
6873 1 14 . 1 1 31 31 ARG H H 22 7.905 7.905 8.420 -0.515 18219
6874 1 14 . 1 1 32 32 ARG N N 23 121.748 121.748 121.726 0.022 18219
6875 1 14 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.648 -0.338 18219
6876 1 14 . 1 1 32 32 ARG C C 23 173.863 173.863 176.600 -2.737 18219
6877 1 14 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.571 -0.771 18219
6878 1 14 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.850 -0.605 18219
6879 1 14 . 1 1 32 32 ARG H H 23 8.175 8.175 8.717 -0.542 18219
6880 1 14 . 1 1 33 33 GLY N N 24 109.528 109.528 104.352 5.176 18219
6881 1 14 . 1 1 33 33 GLY C C 24 171.752 171.752 172.918 -1.166 18219
6882 1 14 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.419 -0.519 18219
6883 1 14 . 1 1 33 33 GLY H H 24 8.264 8.264 8.211 0.053 18219
6884 1 14 . 1 1 34 34 GLY N N 25 108.563 108.563 109.231 -0.668 18219
6885 1 14 . 1 1 34 34 GLY C C 25 171.701 171.701 174.875 -3.174 18219
6886 1 14 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.568 0.032 18219
6887 1 14 . 1 1 34 34 GLY H H 25 8.208 8.208 8.155 0.053 18219
6888 1 14 . 1 1 35 35 VAL N N 26 121.164 121.164 121.707 -0.543 18219
6889 1 14 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.937 0.073 18219
6890 1 14 . 1 1 35 35 VAL C C 26 175.888 175.888 176.080 -0.192 18219
6891 1 14 . 1 1 35 35 VAL CA C 26 63.900 63.900 66.065 -2.165 18219
6892 1 14 . 1 1 35 35 VAL CB C 26 30.690 30.690 30.891 -0.201 18219
6893 1 14 . 1 1 35 35 VAL H H 26 8.485 8.485 8.375 0.110 18219
6894 1 14 . 1 1 36 36 PRO C C 27 177.660 177.660 175.968 1.692 18219
6895 1 14 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.550 -1.703 18219
6896 1 14 . 1 1 37 37 SER N N 28 116.023 116.023 115.370 0.653 18219
6897 1 14 . 1 1 37 37 SER HA H 28 4.280 4.280 4.539 -0.259 18219
6898 1 14 . 1 1 37 37 SER CA C 28 61.100 61.100 59.606 1.494 18219
6899 1 14 . 1 1 37 37 SER H H 28 7.948 7.948 8.321 -0.373 18219
6900 1 14 . 1 1 38 38 LEU N N 29 124.029 124.029 122.402 1.627 18219
6901 1 14 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.067 0.103 18219
6902 1 14 . 1 1 38 38 LEU C C 29 176.132 176.132 178.695 -2.563 18219
6903 1 14 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.244 -0.744 18219
6904 1 14 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.937 1.101 18219
6905 1 14 . 1 1 38 38 LEU H H 29 8.201 8.201 7.794 0.407 18219
6906 1 14 . 1 1 39 39 ILE N N 30 117.098 117.098 119.807 -2.709 18219
6907 1 14 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.677 0.693 18219
6908 1 14 . 1 1 39 39 ILE C C 30 176.478 176.478 177.438 -0.960 18219
6909 1 14 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.112 -0.033 18219
6910 1 14 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.156 -0.183 18219
6911 1 14 . 1 1 39 39 ILE H H 30 7.662 7.662 8.319 -0.657 18219
6912 1 14 . 1 1 40 40 ALA N N 31 122.447 122.447 121.571 0.876 18219
6913 1 14 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.019 0.015 18219
6914 1 14 . 1 1 40 40 ALA C C 31 177.067 177.067 179.858 -2.791 18219
6915 1 14 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.362 0.600 18219
6916 1 14 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.075 -0.219 18219
6917 1 14 . 1 1 40 40 ALA H H 31 8.096 8.096 7.271 0.825 18219
6918 1 14 . 1 1 41 41 GLY N N 32 104.056 104.056 107.583 -3.527 18219
6919 1 14 . 1 1 41 41 GLY C C 32 174.251 174.251 175.809 -1.558 18219
6920 1 14 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.768 -0.268 18219
6921 1 14 . 1 1 41 41 GLY H H 32 8.123 8.123 8.239 -0.116 18219
6922 1 14 . 1 1 42 42 LEU N N 33 123.250 123.250 123.359 -0.109 18219
6923 1 14 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.986 -0.129 18219
6924 1 14 . 1 1 42 42 LEU C C 33 176.033 176.033 178.392 -2.359 18219
6925 1 14 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.149 -1.481 18219
6926 1 14 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.967 -0.246 18219
6927 1 14 . 1 1 42 42 LEU H H 33 7.914 7.914 8.432 -0.518 18219
6928 1 14 . 1 1 43 43 PHE N N 34 119.757 119.757 118.677 1.080 18219
6929 1 14 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.061 0.139 18219
6930 1 14 . 1 1 43 43 PHE C C 34 174.374 174.374 177.352 -2.978 18219
6931 1 14 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.460 -2.584 18219
6932 1 14 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.208 -0.374 18219
6933 1 14 . 1 1 43 43 PHE H H 34 8.287 8.287 8.214 0.073 18219
6934 1 14 . 1 1 44 44 VAL N N 35 117.791 117.791 118.713 -0.922 18219
6935 1 14 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.670 -0.060 18219
6936 1 14 . 1 1 44 44 VAL C C 35 176.205 176.205 178.438 -2.233 18219
6937 1 14 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.118 -2.559 18219
6938 1 14 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.594 -0.162 18219
6939 1 14 . 1 1 44 44 VAL H H 35 8.235 8.235 8.323 -0.088 18219
6940 1 14 . 1 1 45 45 GLY N N 36 108.551 108.551 107.057 1.494 18219
6941 1 14 . 1 1 45 45 GLY C C 36 173.749 173.749 175.478 -1.729 18219
6942 1 14 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.026 -0.943 18219
6943 1 14 . 1 1 45 45 GLY H H 36 8.178 8.178 8.612 -0.434 18219
6944 1 14 . 1 1 46 46 CYS N N 37 121.173 121.173 122.527 -1.354 18219
6945 1 14 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.170 0.010 18219
6946 1 14 . 1 1 46 46 CYS C C 37 173.710 173.710 176.600 -2.890 18219
6947 1 14 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.712 -0.712 18219
6948 1 14 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.733 32.550 18219
6949 1 14 . 1 1 46 46 CYS H H 37 8.253 8.253 8.119 0.134 18219
6950 1 14 . 1 1 47 47 LEU N N 38 120.283 120.283 120.693 -0.410 18219
6951 1 14 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.194 -0.134 18219
6952 1 14 . 1 1 47 47 LEU C C 38 176.679 176.679 178.121 -1.442 18219
6953 1 14 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.071 -2.044 18219
6954 1 14 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.106 0.358 18219
6955 1 14 . 1 1 47 47 LEU H H 38 7.965 7.965 8.530 -0.565 18219
6956 1 14 . 1 1 48 48 ALA N N 39 122.249 122.249 122.657 -0.408 18219
6957 1 14 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.019 0.123 18219
6958 1 14 . 1 1 48 48 ALA C C 39 177.915 177.915 179.331 -1.416 18219
6959 1 14 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.425 -1.708 18219
6960 1 14 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.171 -0.186 18219
6961 1 14 . 1 1 48 48 ALA H H 39 8.066 8.066 8.098 -0.033 18219
6962 1 14 . 1 1 49 49 GLY N N 40 107.377 107.377 106.915 0.462 18219
6963 1 14 . 1 1 49 49 GLY C C 40 172.527 172.527 175.960 -3.433 18219
6964 1 14 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.965 -1.516 18219
6965 1 14 . 1 1 49 49 GLY H H 40 8.172 8.172 8.475 -0.302 18219
6966 1 14 . 1 1 50 50 TYR N N 41 122.409 122.409 123.288 -0.879 18219
6967 1 14 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.294 -0.495 18219
6968 1 14 . 1 1 50 50 TYR C C 41 174.208 174.208 176.297 -2.089 18219
6969 1 14 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.040 -1.795 18219
6970 1 14 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.473 -0.537 18219
6971 1 14 . 1 1 50 50 TYR H H 41 7.800 7.800 8.249 -0.449 18219
6972 1 14 . 1 1 51 51 GLY N N 42 106.935 106.935 106.062 0.873 18219
6973 1 14 . 1 1 51 51 GLY C C 42 172.642 172.642 174.923 -2.281 18219
6974 1 14 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.484 0.781 18219
6975 1 14 . 1 1 51 51 GLY H H 42 8.199 8.199 7.705 0.494 18219
6976 1 14 . 1 1 52 52 ALA N N 43 123.018 123.018 124.289 -1.271 18219
6977 1 14 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.094 0.056 18219
6978 1 14 . 1 1 52 52 ALA C C 43 176.398 176.398 177.464 -1.066 18219
6979 1 14 . 1 1 52 52 ALA CA C 43 52.883 52.883 53.615 -0.732 18219
6980 1 14 . 1 1 52 52 ALA CB C 43 18.241 18.241 19.078 -0.837 18219
6981 1 14 . 1 1 52 52 ALA H H 43 7.758 7.758 7.816 -0.058 18219
6982 1 14 . 1 1 53 53 TYR N N 44 119.664 119.664 119.005 0.659 18219
6983 1 14 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.180 0.138 18219
6984 1 14 . 1 1 53 53 TYR C C 44 174.180 174.180 175.663 -1.483 18219
6985 1 14 . 1 1 53 53 TYR CA C 44 58.593 58.593 58.663 -0.070 18219
6986 1 14 . 1 1 53 53 TYR CB C 44 38.192 38.192 36.764 1.428 18219
6987 1 14 . 1 1 53 53 TYR H H 44 7.920 7.920 8.169 -0.249 18219
6988 1 14 . 1 1 54 54 ARG N N 45 119.516 119.516 123.754 -4.238 18219
6989 1 14 . 1 1 54 54 ARG HA H 45 3.930 3.930 3.792 0.138 18219
6990 1 14 . 1 1 54 54 ARG C C 45 174.423 174.423 174.833 -0.410 18219
6991 1 14 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.370 -1.343 18219
6992 1 14 . 1 1 54 54 ARG CB C 45 30.173 30.173 29.644 0.529 18219
6993 1 14 . 1 1 54 54 ARG H H 45 7.956 7.956 8.727 -0.771 18219
6994 1 14 . 1 1 55 55 VAL N N 46 116.437 116.437 115.133 1.304 18219
6995 1 14 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.624 0.436 18219
6996 1 14 . 1 1 55 55 VAL C C 46 173.806 173.806 175.710 -1.904 18219
6997 1 14 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.033 -0.733 18219
6998 1 14 . 1 1 55 55 VAL CB C 46 31.521 31.521 30.915 0.606 18219
6999 1 14 . 1 1 55 55 VAL H H 46 7.489 7.489 7.976 -0.487 18219
7000 1 14 . 1 1 56 56 SER N N 47 117.185 117.185 114.068 3.117 18219
7001 1 14 . 1 1 56 56 SER HA H 47 4.401 4.401 4.164 0.237 18219
7002 1 14 . 1 1 56 56 SER C C 47 172.074 172.074 175.289 -3.215 18219
7003 1 14 . 1 1 56 56 SER CA C 47 58.133 58.133 59.754 -1.621 18219
7004 1 14 . 1 1 56 56 SER CB C 47 63.468 63.468 64.040 -0.571 18219
7005 1 14 . 1 1 56 56 SER H H 47 7.728 7.728 7.808 -0.080 18219
7006 1 14 . 1 1 57 57 ASN N N 48 121.049 121.049 120.393 0.656 18219
7007 1 14 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.580 0.010 18219
7008 1 14 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.320 -0.720 18219
7009 1 14 . 1 1 57 57 ASN CB C 48 38.641 38.641 37.176 1.465 18219
7010 1 14 . 1 1 57 57 ASN H H 48 8.228 8.228 8.874 -0.646 18219
7011 1 14 . 1 1 58 58 ASP N N 49 120.276 120.276 121.204 -0.928 18219
7012 1 14 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.718 -0.188 18219
7013 1 14 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.931 -0.729 18219
7014 1 14 . 1 1 58 58 ASP CB C 49 40.374 40.374 42.336 -1.962 18219
7015 1 14 . 1 1 58 58 ASP H H 49 8.192 8.192 8.611 -0.419 18219
7016 1 14 . 1 1 59 59 LYS N N 50 120.660 120.660 120.527 0.133 18219
7017 1 14 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.646 -0.446 18219
7018 1 14 . 1 1 59 59 LYS C C 50 173.474 173.474 175.712 -2.238 18219
7019 1 14 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.320 0.980 18219
7020 1 14 . 1 1 59 59 LYS CB C 50 32.034 32.034 34.243 -2.209 18219
7021 1 14 . 1 1 59 59 LYS H H 50 8.003 8.003 7.741 0.262 18219
7022 1 14 . 1 1 60 60 ARG N N 51 121.278 121.278 119.263 2.015 18219
7023 1 14 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.154 0.046 18219
7024 1 14 . 1 1 60 60 ARG C C 51 173.303 173.303 175.776 -2.473 18219
7025 1 14 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.881 -0.598 18219
7026 1 14 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.733 -0.495 18219
7027 1 14 . 1 1 60 60 ARG H H 51 8.091 8.091 8.402 -0.311 18219
7028 1 14 . 1 1 61 61 ASP N N 52 121.185 121.185 118.354 2.831 18219
7029 1 14 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.627 -0.012 18219
7030 1 14 . 1 1 61 61 ASP C C 52 173.777 173.777 177.493 -3.716 18219
7031 1 14 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.503 -1.524 18219
7032 1 14 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.150 -0.905 18219
7033 1 14 . 1 1 61 61 ASP H H 52 8.261 8.261 8.371 -0.110 18219
7034 1 14 . 1 1 62 62 VAL N N 53 121.902 121.902 118.029 3.873 18219
7035 1 14 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.341 -0.391 18219
7036 1 14 . 1 1 62 62 VAL C C 53 173.279 173.279 177.048 -3.769 18219
7037 1 14 . 1 1 62 62 VAL CA C 53 63.176 63.176 62.266 0.910 18219
7038 1 14 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.337 -0.239 18219
7039 1 14 . 1 1 62 62 VAL H H 53 7.997 7.997 7.966 0.031 18219
7040 1 14 . 1 1 63 63 LYS N N 54 123.522 123.522 121.667 1.855 18219
7041 1 14 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.025 0.235 18219
7042 1 14 . 1 1 63 63 LYS C C 54 174.481 174.481 178.469 -3.988 18219
7043 1 14 . 1 1 63 63 LYS CA C 54 56.347 56.347 60.109 -3.762 18219
7044 1 14 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.848 0.251 18219
7045 1 14 . 1 1 63 63 LYS H H 54 8.054 8.054 7.552 0.502 18219
7046 1 14 . 1 1 64 64 VAL N N 55 120.647 120.647 117.187 3.460 18219
7047 1 14 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.882 0.065 18219
7048 1 14 . 1 1 64 64 VAL C C 55 174.955 174.955 178.107 -3.152 18219
7049 1 14 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.130 -0.530 18219
7050 1 14 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.736 1.141 18219
7051 1 14 . 1 1 64 64 VAL H H 55 8.225 8.225 8.083 0.142 18219
7052 1 14 . 1 1 65 65 SER N N 56 117.785 117.785 116.276 1.509 18219
7053 1 14 . 1 1 65 65 SER HA H 56 4.390 4.390 4.224 0.166 18219
7054 1 14 . 1 1 65 65 SER C C 56 172.300 172.300 176.659 -4.359 18219
7055 1 14 . 1 1 65 65 SER CA C 56 60.000 60.000 62.096 -2.095 18219
7056 1 14 . 1 1 65 65 SER CB C 56 62.879 62.879 63.000 -0.121 18219
7057 1 14 . 1 1 65 65 SER H H 56 8.260 8.260 8.000 0.260 18219
7058 1 14 . 1 1 66 66 LEU N N 57 123.318 123.318 122.160 1.158 18219
7059 1 14 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.174 -0.084 18219
7060 1 14 . 1 1 66 66 LEU C C 57 175.932 175.932 178.200 -2.268 18219
7061 1 14 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.143 -0.641 18219
7062 1 14 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.064 -0.343 18219
7063 1 14 . 1 1 66 66 LEU H H 57 8.091 8.091 8.170 -0.079 18219
7064 1 14 . 1 1 67 67 PHE N N 58 118.020 118.020 118.977 -0.957 18219
7065 1 14 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.019 0.311 18219
7066 1 14 . 1 1 67 67 PHE C C 58 174.912 174.912 177.497 -2.585 18219
7067 1 14 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.908 -1.308 18219
7068 1 14 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.803 -0.251 18219
7069 1 14 . 1 1 67 67 PHE H H 58 8.066 8.066 8.860 -0.794 18219
7070 1 14 . 1 1 68 68 THR N N 59 115.324 115.324 115.885 -0.561 18219
7071 1 14 . 1 1 68 68 THR HA H 59 4.310 4.310 4.115 0.195 18219
7072 1 14 . 1 1 68 68 THR C C 59 173.380 173.380 176.586 -3.206 18219
7073 1 14 . 1 1 68 68 THR CA C 59 66.313 66.313 66.420 -0.107 18219
7074 1 14 . 1 1 68 68 THR CB C 59 67.700 67.700 68.420 -0.720 18219
7075 1 14 . 1 1 68 68 THR H H 59 8.287 8.287 8.551 -0.264 18219
7076 1 14 . 1 1 69 69 ALA N N 60 123.621 123.621 124.709 -1.088 18219
7077 1 14 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.091 0.189 18219
7078 1 14 . 1 1 69 69 ALA C C 60 176.978 176.978 180.009 -3.031 18219
7079 1 14 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.084 0.016 18219
7080 1 14 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.155 -0.427 18219
7081 1 14 . 1 1 69 69 ALA H H 60 7.983 7.983 8.057 -0.074 18219
7082 1 14 . 1 1 70 70 PHE N N 61 118.520 118.520 118.847 -0.327 18219
7083 1 14 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.156 0.104 18219
7084 1 14 . 1 1 70 70 PHE C C 61 175.369 175.369 177.333 -1.964 18219
7085 1 14 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.607 -1.428 18219
7086 1 14 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.069 -0.363 18219
7087 1 14 . 1 1 70 70 PHE H H 61 8.007 8.007 8.781 -0.774 18219
7088 1 14 . 1 1 71 71 PHE N N 62 122.314 122.314 119.868 2.446 18219
7089 1 14 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.089 -0.089 18219
7090 1 14 . 1 1 71 71 PHE C C 62 174.697 174.697 177.566 -2.869 18219
7091 1 14 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.896 -2.379 18219
7092 1 14 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.029 -0.259 18219
7093 1 14 . 1 1 71 71 PHE H H 62 8.546 8.546 8.217 0.329 18219
7094 1 14 . 1 1 72 72 LEU N N 63 119.399 119.399 119.745 -0.346 18219
7095 1 14 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.848 0.022 18219
7096 1 14 . 1 1 72 72 LEU C C 63 175.774 175.774 178.561 -2.787 18219
7097 1 14 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.821 -1.896 18219
7098 1 14 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.729 -0.522 18219
7099 1 14 . 1 1 72 72 LEU H H 63 8.396 8.396 8.687 -0.291 18219
7100 1 14 . 1 1 73 73 ALA N N 64 120.221 120.221 120.695 -0.474 18219
7101 1 14 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.824 0.136 18219
7102 1 14 . 1 1 73 73 ALA C C 64 177.267 177.267 179.448 -2.181 18219
7103 1 14 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.285 -0.685 18219
7104 1 14 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.820 -0.036 18219
7105 1 14 . 1 1 73 73 ALA H H 64 8.025 8.025 7.948 0.077 18219
7106 1 14 . 1 1 74 74 THR N N 65 113.648 113.648 115.133 -1.485 18219
7107 1 14 . 1 1 74 74 THR HA H 65 3.980 3.980 3.835 0.145 18219
7108 1 14 . 1 1 74 74 THR CA C 65 66.291 66.291 67.102 -0.811 18219
7109 1 14 . 1 1 74 74 THR CB C 65 67.914 67.914 68.767 -0.853 18219
7110 1 14 . 1 1 74 74 THR H H 65 7.717 7.717 7.845 -0.128 18219
7111 1 14 . 1 1 75 75 ILE N N 66 120.291 120.291 121.030 -0.739 18219
7112 1 14 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.580 0.160 18219
7113 1 14 . 1 1 75 75 ILE C C 66 174.951 174.951 177.594 -2.643 18219
7114 1 14 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.469 0.411 18219
7115 1 14 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.971 -0.805 18219
7116 1 14 . 1 1 75 75 ILE H H 66 7.738 7.738 7.753 -0.015 18219
7117 1 14 . 1 1 76 76 MET N N 67 117.618 117.618 117.435 0.183 18219
7118 1 14 . 1 1 76 76 MET HA H 67 4.220 4.220 4.046 0.174 18219
7119 1 14 . 1 1 76 76 MET C C 67 175.142 175.142 178.167 -3.025 18219
7120 1 14 . 1 1 76 76 MET CA C 67 56.723 56.723 58.241 -1.518 18219
7121 1 14 . 1 1 76 76 MET CB C 67 31.951 31.951 33.083 -1.132 18219
7122 1 14 . 1 1 76 76 MET H H 67 7.823 7.823 8.493 -0.670 18219
7123 1 14 . 1 1 77 77 GLY N N 68 107.110 107.110 105.501 1.609 18219
7124 1 14 . 1 1 77 77 GLY C C 68 172.260 172.260 174.503 -2.243 18219
7125 1 14 . 1 1 77 77 GLY CA C 68 45.800 45.800 46.115 -0.315 18219
7126 1 14 . 1 1 77 77 GLY H H 68 7.937 7.937 8.266 -0.329 18219
7127 1 14 . 1 1 78 78 VAL N N 69 120.431 120.431 117.518 2.913 18219
7128 1 14 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.799 0.421 18219
7129 1 14 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.527 -0.627 18219
7130 1 14 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.835 -0.329 18219
7131 1 14 . 1 1 78 78 VAL H H 69 7.697 7.697 7.831 -0.134 18219
7132 1 14 . 1 1 79 79 ARG N N 70 121.420 121.420 119.931 1.489 18219
7133 1 14 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.168 -0.358 18219
7134 1 14 . 1 1 79 79 ARG CA C 70 56.400 56.400 57.243 -0.843 18219
7135 1 14 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.719 -0.622 18219
7136 1 14 . 1 1 79 79 ARG H H 70 7.889 7.889 7.898 -0.009 18219
7137 1 14 . 1 1 80 80 PHE N N 71 119.949 119.949 124.860 -4.911 18219
7138 1 14 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.581 -0.071 18219
7139 1 14 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.078 -0.478 18219
7140 1 14 . 1 1 80 80 PHE CB C 71 39.145 39.145 40.331 -1.186 18219
7141 1 14 . 1 1 80 80 PHE H H 71 8.101 8.101 8.542 -0.441 18219
7142 1 14 . 1 1 81 81 LYS N N 72 122.193 122.193 119.915 2.278 18219
7143 1 14 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.312 0.488 18219
7144 1 14 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.171 -0.849 18219
7145 1 14 . 1 1 81 81 LYS H H 72 8.090 8.090 7.780 0.310 18219
7146 1 14 . 1 1 82 82 ARG N N 73 119.650 119.650 117.022 2.628 18219
7147 1 14 . 1 1 82 82 ARG CA C 73 56.089 56.089 55.399 0.690 18219
7148 1 14 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.581 -1.410 18219
7149 1 14 . 1 1 82 82 ARG H H 73 8.052 8.052 8.299 -0.247 18219
7150 1 14 . 1 1 83 83 SER N N 74 115.734 115.734 120.220 -4.486 18219
7151 1 14 . 1 1 83 83 SER CA C 74 58.355 58.355 59.552 -1.197 18219
7152 1 14 . 1 1 83 83 SER CB C 74 63.404 63.404 64.157 -0.753 18219
7153 1 14 . 1 1 83 83 SER H H 74 7.912 7.912 8.846 -0.934 18219
7154 1 14 . 1 1 84 84 LYS N N 75 122.370 122.370 120.917 1.453 18219
7155 1 14 . 1 1 84 84 LYS CA C 75 56.135 56.135 57.659 -1.524 18219
7156 1 14 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.994 -0.819 18219
7157 1 14 . 1 1 84 84 LYS H H 75 8.067 8.067 8.412 -0.345 18219
7158 1 14 . 1 1 86 86 ILE N N 77 119.592 119.592 114.352 5.240 18219
7159 1 14 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.357 -0.547 18219
7160 1 14 . 1 1 86 86 ILE CA C 77 64.900 64.900 60.793 4.107 18219
7161 1 14 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.306 0.839 18219
7162 1 14 . 1 1 86 86 ILE H H 77 7.837 7.837 8.046 -0.209 18219
7163 1 14 . 1 1 87 87 MET N N 78 121.645 121.645 120.357 1.288 18219
7164 1 14 . 1 1 87 87 MET CA C 78 52.982 52.982 58.206 -5.224 18219
7165 1 14 . 1 1 87 87 MET CB C 78 32.173 32.173 31.442 0.731 18219
7166 1 14 . 1 1 87 87 MET H H 78 7.950 7.950 8.115 -0.165 18219
7167 1 14 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.493 -0.353 18219
7168 1 14 . 1 1 88 88 PRO C C 79 173.921 173.921 176.158 -2.237 18219
7169 1 14 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.522 0.278 18219
7170 1 14 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.928 1.208 18219
7171 1 14 . 1 1 89 89 ALA N N 80 124.431 124.431 127.864 -3.433 18219
7172 1 14 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.231 0.169 18219
7173 1 14 . 1 1 89 89 ALA C C 80 176.234 176.234 179.087 -2.853 18219
7174 1 14 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.951 -1.651 18219
7175 1 14 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.920 -0.422 18219
7176 1 14 . 1 1 89 89 ALA H H 80 8.320 8.320 7.992 0.328 18219
7177 1 14 . 1 1 90 90 GLY N N 81 106.834 106.834 106.767 0.067 18219
7178 1 14 . 1 1 90 90 GLY C C 81 172.398 172.398 176.050 -3.652 18219
7179 1 14 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.533 -0.933 18219
7180 1 14 . 1 1 90 90 GLY H H 81 8.458 8.458 8.723 -0.265 18219
7181 1 14 . 1 1 91 91 LEU N N 82 121.043 121.043 121.614 -0.571 18219
7182 1 14 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.143 0.057 18219
7183 1 14 . 1 1 91 91 LEU C C 82 174.783 174.783 178.799 -4.016 18219
7184 1 14 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.511 -1.212 18219
7185 1 14 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.375 0.731 18219
7186 1 14 . 1 1 91 91 LEU H H 82 7.687 7.687 7.855 -0.168 18219
7187 1 14 . 1 1 92 92 VAL N N 83 114.737 114.737 118.570 -3.833 18219
7188 1 14 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.542 0.438 18219
7189 1 14 . 1 1 92 92 VAL C C 83 173.634 173.634 177.703 -4.069 18219
7190 1 14 . 1 1 92 92 VAL CA C 83 62.400 62.400 67.255 -4.856 18219
7191 1 14 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.483 0.102 18219
7192 1 14 . 1 1 92 92 VAL H H 83 7.602 7.602 7.469 0.133 18219
7193 1 14 . 1 1 93 93 ALA N N 84 124.320 124.320 121.293 3.027 18219
7194 1 14 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.982 0.168 18219
7195 1 14 . 1 1 93 93 ALA C C 84 175.746 175.746 179.824 -4.078 18219
7196 1 14 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.356 -2.057 18219
7197 1 14 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.916 0.325 18219
7198 1 14 . 1 1 93 93 ALA H H 84 7.891 7.891 7.916 -0.025 18219
7199 1 14 . 1 1 94 94 GLY N N 85 106.807 106.807 107.418 -0.611 18219
7200 1 14 . 1 1 94 94 GLY C C 85 171.752 171.752 175.837 -4.085 18219
7201 1 14 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.595 -1.346 18219
7202 1 14 . 1 1 94 94 GLY H H 85 8.204 8.204 7.993 0.211 18219
7203 1 14 . 1 1 95 95 LEU N N 86 121.266 121.266 122.574 -1.308 18219
7204 1 14 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.135 0.245 18219
7205 1 14 . 1 1 95 95 LEU C C 86 173.702 173.702 178.889 -5.187 18219
7206 1 14 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.588 -2.588 18219
7207 1 14 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.367 0.931 18219
7208 1 14 . 1 1 95 95 LEU H H 86 7.718 7.718 8.032 -0.314 18219
7209 1 14 . 1 1 96 96 SER N N 87 115.658 115.658 115.305 0.353 18219
7210 1 14 . 1 1 96 96 SER HA H 87 4.370 4.370 4.217 0.153 18219
7211 1 14 . 1 1 96 96 SER C C 87 172.479 172.479 177.015 -4.536 18219
7212 1 14 . 1 1 96 96 SER CA C 87 57.200 57.200 62.034 -4.834 18219
7213 1 14 . 1 1 96 96 SER CB C 87 64.174 64.174 63.050 1.124 18219
7214 1 14 . 1 1 96 96 SER H H 87 7.659 7.659 8.273 -0.614 18219
7215 1 14 . 1 1 97 97 LEU N N 88 123.720 123.720 122.504 1.216 18219
7216 1 14 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.019 0.581 18219
7217 1 14 . 1 1 97 97 LEU C C 88 175.932 175.932 179.256 -3.324 18219
7218 1 14 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.629 -0.029 18219
7219 1 14 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.975 -0.575 18219
7220 1 14 . 1 1 97 97 LEU H H 88 8.733 8.733 8.177 0.556 18219
7221 1 14 . 1 1 98 98 MET N N 89 116.684 116.684 120.070 -3.386 18219
7222 1 14 . 1 1 98 98 MET HA H 89 4.280 4.280 4.143 0.137 18219
7223 1 14 . 1 1 98 98 MET C C 89 175.789 175.789 178.013 -2.224 18219
7224 1 14 . 1 1 98 98 MET CA C 89 56.915 56.915 59.020 -2.105 18219
7225 1 14 . 1 1 98 98 MET CB C 89 31.007 31.007 32.857 -1.850 18219
7226 1 14 . 1 1 98 98 MET H H 89 8.342 8.342 8.373 -0.031 18219
7227 1 14 . 1 1 99 99 MET N N 90 119.182 119.182 117.238 1.944 18219
7228 1 14 . 1 1 99 99 MET HA H 90 4.110 4.110 4.144 -0.034 18219
7229 1 14 . 1 1 99 99 MET C C 90 175.588 175.588 178.886 -3.298 18219
7230 1 14 . 1 1 99 99 MET CA C 90 57.951 57.951 58.873 -0.923 18219
7231 1 14 . 1 1 99 99 MET CB C 90 32.226 32.226 32.082 0.144 18219
7232 1 14 . 1 1 99 99 MET H H 90 7.720 7.720 8.171 -0.451 18219
7233 1 14 . 1 1 100 100 ILE N N 91 119.077 119.077 120.008 -0.931 18219
7234 1 14 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.934 0.176 18219
7235 1 14 . 1 1 100 100 ILE C C 91 174.634 174.634 177.276 -2.642 18219
7236 1 14 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.276 -0.176 18219
7237 1 14 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.529 -1.386 18219
7238 1 14 . 1 1 100 100 ILE H H 91 7.662 7.662 8.266 -0.604 18219
7239 1 14 . 1 1 101 101 LEU N N 92 119.646 119.646 121.107 -1.461 18219
7240 1 14 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.065 0.465 18219
7241 1 14 . 1 1 101 101 LEU C C 92 175.430 175.430 178.058 -2.628 18219
7242 1 14 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.534 0.266 18219
7243 1 14 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.839 -1.081 18219
7244 1 14 . 1 1 101 101 LEU H H 92 8.142 8.142 7.710 0.432 18219
7245 1 14 . 1 1 102 102 ARG N N 93 116.394 116.394 117.552 -1.158 18219
7246 1 14 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.351 -0.211 18219
7247 1 14 . 1 1 102 102 ARG C C 93 175.961 175.961 178.451 -2.490 18219
7248 1 14 . 1 1 102 102 ARG CA C 93 59.100 59.100 57.544 1.556 18219
7249 1 14 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.909 -1.505 18219
7250 1 14 . 1 1 102 102 ARG H H 93 7.893 7.893 8.104 -0.211 18219
7251 1 14 . 1 1 103 103 LEU N N 94 119.114 119.114 121.013 -1.899 18219
7252 1 14 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.115 -0.005 18219
7253 1 14 . 1 1 103 103 LEU C C 94 175.889 175.889 178.023 -2.134 18219
7254 1 14 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.119 0.181 18219
7255 1 14 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.741 -0.445 18219
7256 1 14 . 1 1 103 103 LEU H H 94 7.622 7.622 7.826 -0.204 18219
7257 1 14 . 1 1 104 104 VAL N N 95 117.704 117.704 118.255 -0.551 18219
7258 1 14 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.694 -0.164 18219
7259 1 14 . 1 1 104 104 VAL C C 95 175.042 175.042 177.715 -2.673 18219
7260 1 14 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.524 0.895 18219
7261 1 14 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.868 -0.511 18219
7262 1 14 . 1 1 104 104 VAL H H 95 8.026 8.026 7.769 0.257 18219
7263 1 14 . 1 1 105 105 LEU N N 96 117.185 117.185 113.928 3.257 18219
7264 1 14 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.466 -0.486 18219
7265 1 14 . 1 1 105 105 LEU C C 96 176.579 176.579 177.784 -1.205 18219
7266 1 14 . 1 1 105 105 LEU CA C 96 56.800 56.800 55.020 1.780 18219
7267 1 14 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.582 -1.631 18219
7268 1 14 . 1 1 105 105 LEU H H 96 7.893 7.893 7.526 0.367 18219
7269 1 14 . 1 1 106 106 LEU N N 97 118.471 118.471 119.603 -1.132 18219
7270 1 14 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.891 0.289 18219
7271 1 14 . 1 1 106 106 LEU C C 97 175.802 175.802 176.685 -0.883 18219
7272 1 14 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.843 0.457 18219
7273 1 14 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.100 0.492 18219
7274 1 14 . 1 1 106 106 LEU H H 97 7.545 7.545 7.864 -0.319 18219
7275 1 14 . 1 1 107 107 LEU N N 98 118.162 118.162 117.901 0.261 18219
7276 1 14 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.176 0.054 18219
7277 1 14 . 1 1 107 107 LEU C C 98 174.174 174.174 177.805 -3.631 18219
7278 1 14 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.728 0.555 18219
7279 1 14 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.371 -0.009 18219
7280 1 14 . 1 1 107 107 LEU H H 98 7.688 7.688 7.893 -0.205 18219
7281 1 15 . 1 1 11 11 ASP N N 2 120.536 120.536 123.327 -2.791 18219
7282 1 15 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.288 1.630 18219
7283 1 15 . 1 1 11 11 ASP CB C 2 37.959 37.959 40.444 -2.485 18219
7284 1 15 . 1 1 11 11 ASP H H 2 7.863 7.863 8.407 -0.544 18219
7285 1 15 . 1 1 12 12 LEU N N 3 121.414 121.414 125.438 -4.024 18219
7286 1 15 . 1 1 12 12 LEU C C 3 176.162 176.162 178.387 -2.225 18219
7287 1 15 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.838 0.762 18219
7288 1 15 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.411 -0.754 18219
7289 1 15 . 1 1 12 12 LEU H H 3 8.285 8.285 8.218 0.067 18219
7290 1 15 . 1 1 13 13 ILE N N 4 118.854 118.854 118.156 0.698 18219
7291 1 15 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.795 -0.055 18219
7292 1 15 . 1 1 13 13 ILE C C 4 175.228 175.228 177.859 -2.631 18219
7293 1 15 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.288 1.212 18219
7294 1 15 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.274 -1.172 18219
7295 1 15 . 1 1 13 13 ILE H H 4 8.031 8.031 8.000 0.031 18219
7296 1 15 . 1 1 14 14 GLY N N 5 107.478 107.478 107.409 0.069 18219
7297 1 15 . 1 1 14 14 GLY C C 5 174.424 174.424 175.765 -1.341 18219
7298 1 15 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.251 0.808 18219
7299 1 15 . 1 1 14 14 GLY H H 5 8.148 8.148 8.236 -0.088 18219
7300 1 15 . 1 1 15 15 PHE N N 6 122.774 122.774 123.510 -0.736 18219
7301 1 15 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.236 0.244 18219
7302 1 15 . 1 1 15 15 PHE C C 6 175.113 175.113 177.076 -1.963 18219
7303 1 15 . 1 1 15 15 PHE CA C 6 60.017 60.017 62.049 -2.032 18219
7304 1 15 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.685 0.089 18219
7305 1 15 . 1 1 15 15 PHE H H 6 8.194 8.194 7.993 0.201 18219
7306 1 15 . 1 1 16 16 GLY N N 7 107.938 107.938 106.424 1.514 18219
7307 1 15 . 1 1 16 16 GLY C C 7 171.838 171.838 175.630 -3.792 18219
7308 1 15 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.355 -0.255 18219
7309 1 15 . 1 1 16 16 GLY H H 7 8.697 8.697 8.572 0.125 18219
7310 1 15 . 1 1 17 17 TYR N N 8 121.785 121.785 123.578 -1.793 18219
7311 1 15 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.099 0.051 18219
7312 1 15 . 1 1 17 17 TYR C C 8 174.180 174.180 177.667 -3.487 18219
7313 1 15 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.163 0.137 18219
7314 1 15 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.394 -0.435 18219
7315 1 15 . 1 1 17 17 TYR H H 8 8.710 8.710 8.206 0.504 18219
7316 1 15 . 1 1 18 18 ALA N N 9 120.233 120.233 119.972 0.261 18219
7317 1 15 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.943 0.007 18219
7318 1 15 . 1 1 18 18 ALA C C 9 178.059 178.059 178.847 -0.788 18219
7319 1 15 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.495 0.377 18219
7320 1 15 . 1 1 18 18 ALA CB C 9 17.562 17.562 18.049 -0.487 18219
7321 1 15 . 1 1 18 18 ALA H H 9 7.843 7.843 8.334 -0.491 18219
7322 1 15 . 1 1 19 19 ALA N N 10 121.797 121.797 123.031 -1.234 18219
7323 1 15 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.065 -0.115 18219
7324 1 15 . 1 1 19 19 ALA C C 10 176.191 176.191 179.464 -3.273 18219
7325 1 15 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.965 -0.365 18219
7326 1 15 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.348 -0.786 18219
7327 1 15 . 1 1 19 19 ALA H H 10 8.212 8.212 7.924 0.288 18219
7328 1 15 . 1 1 20 20 LEU N N 11 119.442 119.442 117.522 1.920 18219
7329 1 15 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.961 -0.024 18219
7330 1 15 . 1 1 20 20 LEU C C 11 176.694 176.694 178.880 -2.186 18219
7331 1 15 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.924 -0.124 18219
7332 1 15 . 1 1 20 20 LEU CB C 11 41.222 41.222 40.928 0.294 18219
7333 1 15 . 1 1 20 20 LEU H H 11 8.065 8.065 8.270 -0.205 18219
7334 1 15 . 1 1 21 21 VAL N N 12 118.323 118.323 120.518 -2.195 18219
7335 1 15 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.520 0.120 18219
7336 1 15 . 1 1 21 21 VAL C C 12 176.536 176.536 178.403 -1.867 18219
7337 1 15 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.429 -1.029 18219
7338 1 15 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.738 0.397 18219
7339 1 15 . 1 1 21 21 VAL H H 12 8.051 8.051 8.226 -0.174 18219
7340 1 15 . 1 1 22 22 THR N N 13 118.298 118.298 116.848 1.450 18219
7341 1 15 . 1 1 22 22 THR HA H 13 4.660 4.660 3.983 0.677 18219
7342 1 15 . 1 1 22 22 THR C C 13 173.734 173.734 176.532 -2.798 18219
7343 1 15 . 1 1 22 22 THR CA C 13 66.300 66.300 67.213 -0.913 18219
7344 1 15 . 1 1 22 22 THR CB C 13 67.775 67.775 68.733 -0.958 18219
7345 1 15 . 1 1 22 22 THR H H 13 7.944 7.944 7.902 0.042 18219
7346 1 15 . 1 1 23 23 PHE N N 14 121.328 121.328 122.448 -1.120 18219
7347 1 15 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.230 0.110 18219
7348 1 15 . 1 1 23 23 PHE C C 14 174.783 174.783 177.417 -2.634 18219
7349 1 15 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.979 -1.479 18219
7350 1 15 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.983 -0.357 18219
7351 1 15 . 1 1 23 23 PHE H H 14 8.567 8.567 8.494 0.073 18219
7352 1 15 . 1 1 24 24 GLY N N 15 106.871 106.871 105.153 1.718 18219
7353 1 15 . 1 1 24 24 GLY C C 15 172.858 172.858 176.720 -3.862 18219
7354 1 15 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.198 -0.298 18219
7355 1 15 . 1 1 24 24 GLY H H 15 8.475 8.475 9.025 -0.550 18219
7356 1 15 . 1 1 25 25 SER N N 16 116.214 116.214 118.456 -2.242 18219
7357 1 15 . 1 1 25 25 SER HA H 16 4.280 4.280 4.278 0.002 18219
7358 1 15 . 1 1 25 25 SER CA C 16 60.300 60.300 61.560 -1.260 18219
7359 1 15 . 1 1 25 25 SER CB C 16 62.879 62.879 62.973 -0.094 18219
7360 1 15 . 1 1 25 25 SER H H 16 7.963 7.963 8.008 -0.045 18219
7361 1 15 . 1 1 26 26 ILE N N 17 121.024 121.024 121.295 -0.271 18219
7362 1 15 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.912 0.034 18219
7363 1 15 . 1 1 26 26 ILE C C 17 173.935 173.935 178.008 -4.073 18219
7364 1 15 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.222 -2.122 18219
7365 1 15 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.177 -0.070 18219
7366 1 15 . 1 1 26 26 ILE H H 17 7.676 7.676 7.966 -0.290 18219
7367 1 15 . 1 1 27 27 PHE N N 18 117.142 117.142 120.284 -3.142 18219
7368 1 15 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.159 0.271 18219
7369 1 15 . 1 1 27 27 PHE C C 18 173.504 173.504 177.329 -3.825 18219
7370 1 15 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.412 -1.912 18219
7371 1 15 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.825 -0.051 18219
7372 1 15 . 1 1 27 27 PHE H H 18 7.703 7.703 8.359 -0.656 18219
7373 1 15 . 1 1 28 28 GLY N N 19 107.303 107.303 106.724 0.579 18219
7374 1 15 . 1 1 28 28 GLY C C 19 171.593 171.593 174.325 -2.732 18219
7375 1 15 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.397 0.203 18219
7376 1 15 . 1 1 28 28 GLY H H 19 7.722 7.722 7.611 0.111 18219
7377 1 15 . 1 1 29 29 TYR N N 20 119.862 119.862 121.245 -1.383 18219
7378 1 15 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.116 0.276 18219
7379 1 15 . 1 1 29 29 TYR C C 20 173.174 173.174 174.842 -1.668 18219
7380 1 15 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.230 0.270 18219
7381 1 15 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.038 1.366 18219
7382 1 15 . 1 1 29 29 TYR H H 20 7.880 7.880 8.052 -0.172 18219
7383 1 15 . 1 1 30 30 LYS N N 21 122.335 122.335 124.955 -2.620 18219
7384 1 15 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.172 0.218 18219
7385 1 15 . 1 1 30 30 LYS C C 21 173.547 173.547 176.024 -2.477 18219
7386 1 15 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.053 -1.253 18219
7387 1 15 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.013 -0.617 18219
7388 1 15 . 1 1 30 30 LYS H H 21 7.934 7.934 8.404 -0.470 18219
7389 1 15 . 1 1 31 31 ARG N N 22 120.612 120.612 120.100 0.512 18219
7390 1 15 . 1 1 31 31 ARG C C 22 173.547 173.547 175.681 -2.134 18219
7391 1 15 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.579 0.255 18219
7392 1 15 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.295 -0.194 18219
7393 1 15 . 1 1 31 31 ARG H H 22 7.905 7.905 8.571 -0.666 18219
7394 1 15 . 1 1 32 32 ARG N N 23 121.748 121.748 120.940 0.808 18219
7395 1 15 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.315 -0.005 18219
7396 1 15 . 1 1 32 32 ARG C C 23 173.863 173.863 176.262 -2.399 18219
7397 1 15 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.208 -1.408 18219
7398 1 15 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.610 -0.365 18219
7399 1 15 . 1 1 32 32 ARG H H 23 8.175 8.175 8.219 -0.044 18219
7400 1 15 . 1 1 33 33 GLY N N 24 109.528 109.528 104.964 4.564 18219
7401 1 15 . 1 1 33 33 GLY C C 24 171.752 171.752 173.612 -1.860 18219
7402 1 15 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.662 0.238 18219
7403 1 15 . 1 1 33 33 GLY H H 24 8.264 8.264 8.975 -0.711 18219
7404 1 15 . 1 1 34 34 GLY N N 25 108.563 108.563 108.977 -0.414 18219
7405 1 15 . 1 1 34 34 GLY C C 25 171.701 171.701 174.469 -2.768 18219
7406 1 15 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.446 0.154 18219
7407 1 15 . 1 1 34 34 GLY H H 25 8.208 8.208 8.160 0.048 18219
7408 1 15 . 1 1 35 35 VAL N N 26 121.164 121.164 120.733 0.431 18219
7409 1 15 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.022 -0.012 18219
7410 1 15 . 1 1 35 35 VAL C C 26 175.888 175.888 174.905 0.983 18219
7411 1 15 . 1 1 35 35 VAL CA C 26 63.900 63.900 63.673 0.227 18219
7412 1 15 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.582 -0.892 18219
7413 1 15 . 1 1 35 35 VAL H H 26 8.485 8.485 8.200 0.285 18219
7414 1 15 . 1 1 36 36 PRO C C 27 177.660 177.660 175.856 1.804 18219
7415 1 15 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.917 -1.070 18219
7416 1 15 . 1 1 37 37 SER N N 28 116.023 116.023 115.982 0.041 18219
7417 1 15 . 1 1 37 37 SER HA H 28 4.280 4.280 4.405 -0.125 18219
7418 1 15 . 1 1 37 37 SER CA C 28 61.100 61.100 58.647 2.453 18219
7419 1 15 . 1 1 37 37 SER H H 28 7.948 7.948 8.548 -0.600 18219
7420 1 15 . 1 1 38 38 LEU N N 29 124.029 124.029 122.183 1.846 18219
7421 1 15 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.089 0.081 18219
7422 1 15 . 1 1 38 38 LEU C C 29 176.132 176.132 178.622 -2.490 18219
7423 1 15 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.022 -0.522 18219
7424 1 15 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.023 1.015 18219
7425 1 15 . 1 1 38 38 LEU H H 29 8.201 8.201 7.993 0.208 18219
7426 1 15 . 1 1 39 39 ILE N N 30 117.098 117.098 119.137 -2.039 18219
7427 1 15 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.974 0.396 18219
7428 1 15 . 1 1 39 39 ILE C C 30 176.478 176.478 177.350 -0.872 18219
7429 1 15 . 1 1 39 39 ILE CA C 30 63.079 63.079 62.063 1.016 18219
7430 1 15 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.976 -0.003 18219
7431 1 15 . 1 1 39 39 ILE H H 30 7.662 7.662 8.166 -0.504 18219
7432 1 15 . 1 1 40 40 ALA N N 31 122.447 122.447 122.861 -0.414 18219
7433 1 15 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.091 -0.057 18219
7434 1 15 . 1 1 40 40 ALA C C 31 177.067 177.067 179.766 -2.699 18219
7435 1 15 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.584 0.378 18219
7436 1 15 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.999 -0.143 18219
7437 1 15 . 1 1 40 40 ALA H H 31 8.096 8.096 8.213 -0.117 18219
7438 1 15 . 1 1 41 41 GLY N N 32 104.056 104.056 107.536 -3.480 18219
7439 1 15 . 1 1 41 41 GLY C C 32 174.251 174.251 176.014 -1.763 18219
7440 1 15 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.951 -0.451 18219
7441 1 15 . 1 1 41 41 GLY H H 32 8.123 8.123 8.295 -0.172 18219
7442 1 15 . 1 1 42 42 LEU N N 33 123.250 123.250 123.015 0.235 18219
7443 1 15 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.040 -0.183 18219
7444 1 15 . 1 1 42 42 LEU C C 33 176.033 176.033 178.241 -2.208 18219
7445 1 15 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.916 -1.248 18219
7446 1 15 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.019 -0.298 18219
7447 1 15 . 1 1 42 42 LEU H H 33 7.914 7.914 8.210 -0.296 18219
7448 1 15 . 1 1 43 43 PHE N N 34 119.757 119.757 119.449 0.308 18219
7449 1 15 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.095 0.105 18219
7450 1 15 . 1 1 43 43 PHE C C 34 174.374 174.374 177.339 -2.965 18219
7451 1 15 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.249 -2.373 18219
7452 1 15 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.058 -0.224 18219
7453 1 15 . 1 1 43 43 PHE H H 34 8.287 8.287 8.035 0.252 18219
7454 1 15 . 1 1 44 44 VAL N N 35 117.791 117.791 118.315 -0.524 18219
7455 1 15 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.720 -0.110 18219
7456 1 15 . 1 1 44 44 VAL C C 35 176.205 176.205 178.675 -2.470 18219
7457 1 15 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.803 -2.244 18219
7458 1 15 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.833 0.599 18219
7459 1 15 . 1 1 44 44 VAL H H 35 8.235 8.235 8.305 -0.070 18219
7460 1 15 . 1 1 45 45 GLY N N 36 108.551 108.551 107.435 1.116 18219
7461 1 15 . 1 1 45 45 GLY C C 36 173.749 173.749 175.807 -2.058 18219
7462 1 15 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.144 -1.061 18219
7463 1 15 . 1 1 45 45 GLY H H 36 8.178 8.178 8.443 -0.265 18219
7464 1 15 . 1 1 46 46 CYS N N 37 121.173 121.173 122.271 -1.098 18219
7465 1 15 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.162 0.018 18219
7466 1 15 . 1 1 46 46 CYS C C 37 173.710 173.710 176.480 -2.770 18219
7467 1 15 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.648 -0.648 18219
7468 1 15 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.791 32.492 18219
7469 1 15 . 1 1 46 46 CYS H H 37 8.253 8.253 8.138 0.115 18219
7470 1 15 . 1 1 47 47 LEU N N 38 120.283 120.283 120.360 -0.077 18219
7471 1 15 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.966 0.094 18219
7472 1 15 . 1 1 47 47 LEU C C 38 176.679 176.679 177.947 -1.268 18219
7473 1 15 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.045 -2.018 18219
7474 1 15 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.727 0.737 18219
7475 1 15 . 1 1 47 47 LEU H H 38 7.965 7.965 8.496 -0.531 18219
7476 1 15 . 1 1 48 48 ALA N N 39 122.249 122.249 121.529 0.720 18219
7477 1 15 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.014 0.128 18219
7478 1 15 . 1 1 48 48 ALA C C 39 177.915 177.915 179.794 -1.879 18219
7479 1 15 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.350 -1.633 18219
7480 1 15 . 1 1 48 48 ALA CB C 39 17.985 17.985 17.967 0.018 18219
7481 1 15 . 1 1 48 48 ALA H H 39 8.066 8.066 7.985 0.081 18219
7482 1 15 . 1 1 49 49 GLY N N 40 107.377 107.377 107.150 0.227 18219
7483 1 15 . 1 1 49 49 GLY C C 40 172.527 172.527 175.823 -3.296 18219
7484 1 15 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.779 -1.329 18219
7485 1 15 . 1 1 49 49 GLY H H 40 8.172 8.172 8.275 -0.103 18219
7486 1 15 . 1 1 50 50 TYR N N 41 122.409 122.409 123.449 -1.040 18219
7487 1 15 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.348 -0.549 18219
7488 1 15 . 1 1 50 50 TYR C C 41 174.208 174.208 177.637 -3.429 18219
7489 1 15 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.778 -1.533 18219
7490 1 15 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.458 -0.522 18219
7491 1 15 . 1 1 50 50 TYR H H 41 7.800 7.800 8.509 -0.709 18219
7492 1 15 . 1 1 51 51 GLY N N 42 106.935 106.935 107.222 -0.287 18219
7493 1 15 . 1 1 51 51 GLY C C 42 172.642 172.642 175.095 -2.453 18219
7494 1 15 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.489 0.776 18219
7495 1 15 . 1 1 51 51 GLY H H 42 8.199 8.199 7.970 0.229 18219
7496 1 15 . 1 1 52 52 ALA N N 43 123.018 123.018 124.648 -1.630 18219
7497 1 15 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.078 0.072 18219
7498 1 15 . 1 1 52 52 ALA C C 43 176.398 176.398 177.784 -1.386 18219
7499 1 15 . 1 1 52 52 ALA CA C 43 52.883 52.883 53.531 -0.647 18219
7500 1 15 . 1 1 52 52 ALA CB C 43 18.241 18.241 19.182 -0.941 18219
7501 1 15 . 1 1 52 52 ALA H H 43 7.758 7.758 8.067 -0.309 18219
7502 1 15 . 1 1 53 53 TYR N N 44 119.664 119.664 116.431 3.233 18219
7503 1 15 . 1 1 53 53 TYR HA H 44 4.318 4.318 3.981 0.337 18219
7504 1 15 . 1 1 53 53 TYR C C 44 174.180 174.180 175.666 -1.486 18219
7505 1 15 . 1 1 53 53 TYR CA C 44 58.593 58.593 59.309 -0.716 18219
7506 1 15 . 1 1 53 53 TYR CB C 44 38.192 38.192 36.894 1.298 18219
7507 1 15 . 1 1 53 53 TYR H H 44 7.920 7.920 8.180 -0.260 18219
7508 1 15 . 1 1 54 54 ARG N N 45 119.516 119.516 115.087 4.429 18219
7509 1 15 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.128 -0.198 18219
7510 1 15 . 1 1 54 54 ARG C C 45 174.423 174.423 175.398 -0.975 18219
7511 1 15 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.983 -0.956 18219
7512 1 15 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.500 -0.327 18219
7513 1 15 . 1 1 54 54 ARG H H 45 7.956 7.956 8.145 -0.189 18219
7514 1 15 . 1 1 55 55 VAL N N 46 116.437 116.437 118.476 -2.039 18219
7515 1 15 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.823 0.237 18219
7516 1 15 . 1 1 55 55 VAL C C 46 173.806 173.806 175.267 -1.461 18219
7517 1 15 . 1 1 55 55 VAL CA C 46 62.300 62.300 64.426 -2.126 18219
7518 1 15 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.800 -0.279 18219
7519 1 15 . 1 1 55 55 VAL H H 46 7.489 7.489 8.288 -0.799 18219
7520 1 15 . 1 1 56 56 SER N N 47 117.185 117.185 112.293 4.892 18219
7521 1 15 . 1 1 56 56 SER HA H 47 4.401 4.401 4.647 -0.246 18219
7522 1 15 . 1 1 56 56 SER C C 47 172.074 172.074 175.481 -3.407 18219
7523 1 15 . 1 1 56 56 SER CA C 47 58.133 58.133 58.017 0.116 18219
7524 1 15 . 1 1 56 56 SER CB C 47 63.468 63.468 64.391 -0.923 18219
7525 1 15 . 1 1 56 56 SER H H 47 7.728 7.728 7.367 0.361 18219
7526 1 15 . 1 1 57 57 ASN N N 48 121.049 121.049 125.694 -4.645 18219
7527 1 15 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.385 0.205 18219
7528 1 15 . 1 1 57 57 ASN CA C 48 53.600 53.600 56.464 -2.864 18219
7529 1 15 . 1 1 57 57 ASN CB C 48 38.641 38.641 37.303 1.337 18219
7530 1 15 . 1 1 57 57 ASN H H 48 8.228 8.228 9.008 -0.780 18219
7531 1 15 . 1 1 58 58 ASP N N 49 120.276 120.276 121.734 -1.458 18219
7532 1 15 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.553 -0.022 18219
7533 1 15 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.575 -1.373 18219
7534 1 15 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.601 -1.227 18219
7535 1 15 . 1 1 58 58 ASP H H 49 8.192 8.192 8.552 -0.360 18219
7536 1 15 . 1 1 59 59 LYS N N 50 120.660 120.660 115.831 4.829 18219
7537 1 15 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.425 -0.225 18219
7538 1 15 . 1 1 59 59 LYS C C 50 173.474 173.474 174.346 -0.872 18219
7539 1 15 . 1 1 59 59 LYS CA C 50 56.300 56.300 54.810 1.490 18219
7540 1 15 . 1 1 59 59 LYS CB C 50 32.034 32.034 35.228 -3.194 18219
7541 1 15 . 1 1 59 59 LYS H H 50 8.003 8.003 7.236 0.767 18219
7542 1 15 . 1 1 60 60 ARG N N 51 121.278 121.278 119.734 1.544 18219
7543 1 15 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.022 0.178 18219
7544 1 15 . 1 1 60 60 ARG C C 51 173.303 173.303 175.108 -1.805 18219
7545 1 15 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.533 -1.250 18219
7546 1 15 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.343 -0.105 18219
7547 1 15 . 1 1 60 60 ARG H H 51 8.091 8.091 8.474 -0.383 18219
7548 1 15 . 1 1 61 61 ASP N N 52 121.185 121.185 122.134 -0.949 18219
7549 1 15 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.636 -0.021 18219
7550 1 15 . 1 1 61 61 ASP C C 52 173.777 173.777 177.784 -4.007 18219
7551 1 15 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.524 -1.545 18219
7552 1 15 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.563 -1.318 18219
7553 1 15 . 1 1 61 61 ASP H H 52 8.261 8.261 8.552 -0.291 18219
7554 1 15 . 1 1 62 62 VAL N N 53 121.902 121.902 119.798 2.104 18219
7555 1 15 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.150 -0.200 18219
7556 1 15 . 1 1 62 62 VAL C C 53 173.279 173.279 176.899 -3.620 18219
7557 1 15 . 1 1 62 62 VAL CA C 53 63.176 63.176 64.122 -0.946 18219
7558 1 15 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.178 -0.079 18219
7559 1 15 . 1 1 62 62 VAL H H 53 7.997 7.997 8.026 -0.029 18219
7560 1 15 . 1 1 63 63 LYS N N 54 123.522 123.522 121.303 2.219 18219
7561 1 15 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.168 0.092 18219
7562 1 15 . 1 1 63 63 LYS C C 54 174.481 174.481 178.665 -4.184 18219
7563 1 15 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.387 -3.040 18219
7564 1 15 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.711 0.388 18219
7565 1 15 . 1 1 63 63 LYS H H 54 8.054 8.054 8.301 -0.247 18219
7566 1 15 . 1 1 64 64 VAL N N 55 120.647 120.647 118.266 2.381 18219
7567 1 15 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.808 0.139 18219
7568 1 15 . 1 1 64 64 VAL C C 55 174.955 174.955 177.708 -2.753 18219
7569 1 15 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.191 -0.591 18219
7570 1 15 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.967 0.910 18219
7571 1 15 . 1 1 64 64 VAL H H 55 8.225 8.225 8.056 0.169 18219
7572 1 15 . 1 1 65 65 SER N N 56 117.785 117.785 116.458 1.327 18219
7573 1 15 . 1 1 65 65 SER HA H 56 4.390 4.390 4.147 0.243 18219
7574 1 15 . 1 1 65 65 SER C C 56 172.300 172.300 176.509 -4.209 18219
7575 1 15 . 1 1 65 65 SER CA C 56 60.000 60.000 62.184 -2.184 18219
7576 1 15 . 1 1 65 65 SER CB C 56 62.879 62.879 63.005 -0.126 18219
7577 1 15 . 1 1 65 65 SER H H 56 8.260 8.260 7.703 0.557 18219
7578 1 15 . 1 1 66 66 LEU N N 57 123.318 123.318 122.547 0.771 18219
7579 1 15 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.101 -0.011 18219
7580 1 15 . 1 1 66 66 LEU C C 57 175.932 175.932 178.574 -2.642 18219
7581 1 15 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.589 -1.087 18219
7582 1 15 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.222 -0.501 18219
7583 1 15 . 1 1 66 66 LEU H H 57 8.091 8.091 8.116 -0.025 18219
7584 1 15 . 1 1 67 67 PHE N N 58 118.020 118.020 117.397 0.623 18219
7585 1 15 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.104 0.226 18219
7586 1 15 . 1 1 67 67 PHE C C 58 174.912 174.912 178.322 -3.410 18219
7587 1 15 . 1 1 67 67 PHE CA C 58 60.600 60.600 62.312 -1.712 18219
7588 1 15 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.226 0.326 18219
7589 1 15 . 1 1 67 67 PHE H H 58 8.066 8.066 8.814 -0.748 18219
7590 1 15 . 1 1 68 68 THR N N 59 115.324 115.324 116.136 -0.812 18219
7591 1 15 . 1 1 68 68 THR HA H 59 4.310 4.310 3.987 0.323 18219
7592 1 15 . 1 1 68 68 THR C C 59 173.380 173.380 176.230 -2.850 18219
7593 1 15 . 1 1 68 68 THR CA C 59 66.313 66.313 67.606 -1.292 18219
7594 1 15 . 1 1 68 68 THR CB C 59 67.700 67.700 68.826 -1.126 18219
7595 1 15 . 1 1 68 68 THR H H 59 8.287 8.287 8.345 -0.058 18219
7596 1 15 . 1 1 69 69 ALA N N 60 123.621 123.621 124.574 -0.953 18219
7597 1 15 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.093 0.187 18219
7598 1 15 . 1 1 69 69 ALA C C 60 176.978 176.978 179.817 -2.839 18219
7599 1 15 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.190 -0.090 18219
7600 1 15 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.230 -0.502 18219
7601 1 15 . 1 1 69 69 ALA H H 60 7.983 7.983 8.074 -0.091 18219
7602 1 15 . 1 1 70 70 PHE N N 61 118.520 118.520 118.367 0.153 18219
7603 1 15 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.194 0.066 18219
7604 1 15 . 1 1 70 70 PHE C C 61 175.369 175.369 177.517 -2.148 18219
7605 1 15 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.456 -1.278 18219
7606 1 15 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.124 -0.418 18219
7607 1 15 . 1 1 70 70 PHE H H 61 8.007 8.007 8.666 -0.659 18219
7608 1 15 . 1 1 71 71 PHE N N 62 122.314 122.314 120.268 2.046 18219
7609 1 15 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.200 -0.200 18219
7610 1 15 . 1 1 71 71 PHE C C 62 174.697 174.697 177.535 -2.838 18219
7611 1 15 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.689 -2.172 18219
7612 1 15 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.388 -0.618 18219
7613 1 15 . 1 1 71 71 PHE H H 62 8.546 8.546 8.347 0.199 18219
7614 1 15 . 1 1 72 72 LEU N N 63 119.399 119.399 120.277 -0.878 18219
7615 1 15 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.993 -0.123 18219
7616 1 15 . 1 1 72 72 LEU C C 63 175.774 175.774 178.440 -2.666 18219
7617 1 15 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.580 -1.655 18219
7618 1 15 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.896 -0.689 18219
7619 1 15 . 1 1 72 72 LEU H H 63 8.396 8.396 8.832 -0.436 18219
7620 1 15 . 1 1 73 73 ALA N N 64 120.221 120.221 119.763 0.458 18219
7621 1 15 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.963 -0.003 18219
7622 1 15 . 1 1 73 73 ALA C C 64 177.267 177.267 179.468 -2.201 18219
7623 1 15 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.395 -0.795 18219
7624 1 15 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.100 -0.316 18219
7625 1 15 . 1 1 73 73 ALA H H 64 8.025 8.025 8.116 -0.091 18219
7626 1 15 . 1 1 74 74 THR N N 65 113.648 113.648 111.599 2.049 18219
7627 1 15 . 1 1 74 74 THR HA H 65 3.980 3.980 4.140 -0.160 18219
7628 1 15 . 1 1 74 74 THR CA C 65 66.291 66.291 64.725 1.566 18219
7629 1 15 . 1 1 74 74 THR CB C 65 67.914 67.914 68.602 -0.688 18219
7630 1 15 . 1 1 74 74 THR H H 65 7.717 7.717 7.668 0.049 18219
7631 1 15 . 1 1 75 75 ILE N N 66 120.291 120.291 120.858 -0.567 18219
7632 1 15 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.980 -0.240 18219
7633 1 15 . 1 1 75 75 ILE C C 66 174.951 174.951 177.384 -2.433 18219
7634 1 15 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.420 1.460 18219
7635 1 15 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.154 -0.988 18219
7636 1 15 . 1 1 75 75 ILE H H 66 7.738 7.738 8.126 -0.388 18219
7637 1 15 . 1 1 76 76 MET N N 67 117.618 117.618 117.660 -0.042 18219
7638 1 15 . 1 1 76 76 MET HA H 67 4.220 4.220 4.434 -0.214 18219
7639 1 15 . 1 1 76 76 MET C C 67 175.142 175.142 177.023 -1.881 18219
7640 1 15 . 1 1 76 76 MET CA C 67 56.723 56.723 57.126 -0.403 18219
7641 1 15 . 1 1 76 76 MET CB C 67 31.951 31.951 33.463 -1.512 18219
7642 1 15 . 1 1 76 76 MET H H 67 7.823 7.823 8.564 -0.741 18219
7643 1 15 . 1 1 77 77 GLY N N 68 107.110 107.110 104.440 2.670 18219
7644 1 15 . 1 1 77 77 GLY C C 68 172.260 172.260 174.885 -2.625 18219
7645 1 15 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.127 0.673 18219
7646 1 15 . 1 1 77 77 GLY H H 68 7.937 7.937 8.109 -0.172 18219
7647 1 15 . 1 1 78 78 VAL N N 69 120.431 120.431 118.271 2.160 18219
7648 1 15 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.644 0.576 18219
7649 1 15 . 1 1 78 78 VAL CA C 69 63.900 63.900 65.058 -1.158 18219
7650 1 15 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.929 -0.423 18219
7651 1 15 . 1 1 78 78 VAL H H 69 7.697 7.697 7.984 -0.287 18219
7652 1 15 . 1 1 79 79 ARG N N 70 121.420 121.420 118.298 3.122 18219
7653 1 15 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.107 -0.297 18219
7654 1 15 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.907 -0.507 18219
7655 1 15 . 1 1 79 79 ARG CB C 70 30.097 30.097 28.951 1.146 18219
7656 1 15 . 1 1 79 79 ARG H H 70 7.889 7.889 8.178 -0.289 18219
7657 1 15 . 1 1 80 80 PHE N N 71 119.949 119.949 125.771 -5.822 18219
7658 1 15 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.691 -0.181 18219
7659 1 15 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.953 -0.353 18219
7660 1 15 . 1 1 80 80 PHE CB C 71 39.145 39.145 40.998 -1.853 18219
7661 1 15 . 1 1 80 80 PHE H H 71 8.101 8.101 8.205 -0.104 18219
7662 1 15 . 1 1 81 81 LYS N N 72 122.193 122.193 119.732 2.461 18219
7663 1 15 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.351 1.449 18219
7664 1 15 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.878 -1.556 18219
7665 1 15 . 1 1 81 81 LYS H H 72 8.090 8.090 8.284 -0.194 18219
7666 1 15 . 1 1 82 82 ARG N N 73 119.650 119.650 121.603 -1.953 18219
7667 1 15 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.228 -0.139 18219
7668 1 15 . 1 1 82 82 ARG CB C 73 30.171 30.171 29.445 0.726 18219
7669 1 15 . 1 1 82 82 ARG H H 73 8.052 8.052 8.565 -0.513 18219
7670 1 15 . 1 1 83 83 SER N N 74 115.734 115.734 118.225 -2.491 18219
7671 1 15 . 1 1 83 83 SER CA C 74 58.355 58.355 57.236 1.119 18219
7672 1 15 . 1 1 83 83 SER CB C 74 63.404 63.404 64.469 -1.065 18219
7673 1 15 . 1 1 83 83 SER H H 74 7.912 7.912 8.114 -0.202 18219
7674 1 15 . 1 1 84 84 LYS N N 75 122.370 122.370 122.663 -0.293 18219
7675 1 15 . 1 1 84 84 LYS CA C 75 56.135 56.135 55.426 0.709 18219
7676 1 15 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.417 0.758 18219
7677 1 15 . 1 1 84 84 LYS H H 75 8.067 8.067 8.620 -0.553 18219
7678 1 15 . 1 1 86 86 ILE N N 77 119.592 119.592 117.118 2.474 18219
7679 1 15 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.078 -0.268 18219
7680 1 15 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.241 2.659 18219
7681 1 15 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.862 0.283 18219
7682 1 15 . 1 1 86 86 ILE H H 77 7.837 7.837 7.551 0.286 18219
7683 1 15 . 1 1 87 87 MET N N 78 121.645 121.645 118.105 3.540 18219
7684 1 15 . 1 1 87 87 MET CA C 78 52.982 52.982 58.989 -6.007 18219
7685 1 15 . 1 1 87 87 MET CB C 78 32.173 32.173 31.527 0.646 18219
7686 1 15 . 1 1 87 87 MET H H 78 7.950 7.950 8.348 -0.398 18219
7687 1 15 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.401 -0.261 18219
7688 1 15 . 1 1 88 88 PRO C C 79 173.921 173.921 177.140 -3.219 18219
7689 1 15 . 1 1 88 88 PRO CA C 79 62.800 62.800 63.755 -0.955 18219
7690 1 15 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.909 -0.773 18219
7691 1 15 . 1 1 89 89 ALA N N 80 124.431 124.431 118.942 5.489 18219
7692 1 15 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.048 0.352 18219
7693 1 15 . 1 1 89 89 ALA C C 80 176.234 176.234 179.580 -3.346 18219
7694 1 15 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.348 -1.048 18219
7695 1 15 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.257 1.241 18219
7696 1 15 . 1 1 89 89 ALA H H 80 8.320 8.320 8.520 -0.200 18219
7697 1 15 . 1 1 90 90 GLY N N 81 106.834 106.834 107.331 -0.497 18219
7698 1 15 . 1 1 90 90 GLY C C 81 172.398 172.398 175.258 -2.860 18219
7699 1 15 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.994 -1.394 18219
7700 1 15 . 1 1 90 90 GLY H H 81 8.458 8.458 8.116 0.342 18219
7701 1 15 . 1 1 91 91 LEU N N 82 121.043 121.043 120.497 0.546 18219
7702 1 15 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.060 0.140 18219
7703 1 15 . 1 1 91 91 LEU C C 82 174.783 174.783 178.206 -3.423 18219
7704 1 15 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.375 -2.075 18219
7705 1 15 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.084 0.022 18219
7706 1 15 . 1 1 91 91 LEU H H 82 7.687 7.687 7.788 -0.101 18219
7707 1 15 . 1 1 92 92 VAL N N 83 114.737 114.737 116.888 -2.151 18219
7708 1 15 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.649 0.331 18219
7709 1 15 . 1 1 92 92 VAL C C 83 173.634 173.634 177.677 -4.043 18219
7710 1 15 . 1 1 92 92 VAL CA C 83 62.400 62.400 64.720 -2.320 18219
7711 1 15 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.245 1.340 18219
7712 1 15 . 1 1 92 92 VAL H H 83 7.602 7.602 7.709 -0.107 18219
7713 1 15 . 1 1 93 93 ALA N N 84 124.320 124.320 121.580 2.740 18219
7714 1 15 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.069 0.081 18219
7715 1 15 . 1 1 93 93 ALA C C 84 175.746 175.746 179.769 -4.023 18219
7716 1 15 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.381 -2.081 18219
7717 1 15 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.905 0.336 18219
7718 1 15 . 1 1 93 93 ALA H H 84 7.891 7.891 8.693 -0.802 18219
7719 1 15 . 1 1 94 94 GLY N N 85 106.807 106.807 107.576 -0.769 18219
7720 1 15 . 1 1 94 94 GLY C C 85 171.752 171.752 175.967 -4.215 18219
7721 1 15 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.630 -1.381 18219
7722 1 15 . 1 1 94 94 GLY H H 85 8.204 8.204 7.896 0.308 18219
7723 1 15 . 1 1 95 95 LEU N N 86 121.266 121.266 121.793 -0.527 18219
7724 1 15 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.167 0.213 18219
7725 1 15 . 1 1 95 95 LEU C C 86 173.702 173.702 179.431 -5.729 18219
7726 1 15 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.474 -2.474 18219
7727 1 15 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.273 1.024 18219
7728 1 15 . 1 1 95 95 LEU H H 86 7.718 7.718 7.958 -0.240 18219
7729 1 15 . 1 1 96 96 SER N N 87 115.658 115.658 116.482 -0.824 18219
7730 1 15 . 1 1 96 96 SER HA H 87 4.370 4.370 4.160 0.210 18219
7731 1 15 . 1 1 96 96 SER C C 87 172.479 172.479 176.595 -4.116 18219
7732 1 15 . 1 1 96 96 SER CA C 87 57.200 57.200 61.592 -4.392 18219
7733 1 15 . 1 1 96 96 SER CB C 87 64.174 64.174 63.192 0.982 18219
7734 1 15 . 1 1 96 96 SER H H 87 7.659 7.659 8.157 -0.498 18219
7735 1 15 . 1 1 97 97 LEU N N 88 123.720 123.720 122.342 1.378 18219
7736 1 15 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.078 0.522 18219
7737 1 15 . 1 1 97 97 LEU C C 88 175.932 175.932 178.994 -3.062 18219
7738 1 15 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.675 -0.076 18219
7739 1 15 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.144 0.256 18219
7740 1 15 . 1 1 97 97 LEU H H 88 8.733 8.733 8.175 0.558 18219
7741 1 15 . 1 1 98 98 MET N N 89 116.684 116.684 120.668 -3.984 18219
7742 1 15 . 1 1 98 98 MET HA H 89 4.280 4.280 4.115 0.165 18219
7743 1 15 . 1 1 98 98 MET C C 89 175.789 175.789 177.747 -1.958 18219
7744 1 15 . 1 1 98 98 MET CA C 89 56.915 56.915 59.258 -2.343 18219
7745 1 15 . 1 1 98 98 MET CB C 89 31.007 31.007 32.669 -1.662 18219
7746 1 15 . 1 1 98 98 MET H H 89 8.342 8.342 8.348 -0.006 18219
7747 1 15 . 1 1 99 99 MET N N 90 119.182 119.182 117.988 1.194 18219
7748 1 15 . 1 1 99 99 MET HA H 90 4.110 4.110 4.296 -0.186 18219
7749 1 15 . 1 1 99 99 MET C C 90 175.588 175.588 178.739 -3.151 18219
7750 1 15 . 1 1 99 99 MET CA C 90 57.951 57.951 58.506 -0.555 18219
7751 1 15 . 1 1 99 99 MET CB C 90 32.226 32.226 32.016 0.210 18219
7752 1 15 . 1 1 99 99 MET H H 90 7.720 7.720 8.131 -0.411 18219
7753 1 15 . 1 1 100 100 ILE N N 91 119.077 119.077 120.431 -1.354 18219
7754 1 15 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.841 0.269 18219
7755 1 15 . 1 1 100 100 ILE C C 91 174.634 174.634 177.650 -3.016 18219
7756 1 15 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.783 -0.683 18219
7757 1 15 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.153 -1.010 18219
7758 1 15 . 1 1 100 100 ILE H H 91 7.662 7.662 8.219 -0.557 18219
7759 1 15 . 1 1 101 101 LEU N N 92 119.646 119.646 121.050 -1.404 18219
7760 1 15 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.011 0.519 18219
7761 1 15 . 1 1 101 101 LEU C C 92 175.430 175.430 178.595 -3.165 18219
7762 1 15 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.011 -0.212 18219
7763 1 15 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.772 -1.014 18219
7764 1 15 . 1 1 101 101 LEU H H 92 8.142 8.142 7.786 0.356 18219
7765 1 15 . 1 1 102 102 ARG N N 93 116.394 116.394 118.844 -2.450 18219
7766 1 15 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.209 -0.069 18219
7767 1 15 . 1 1 102 102 ARG C C 93 175.961 175.961 178.589 -2.628 18219
7768 1 15 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.585 0.515 18219
7769 1 15 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.346 -0.942 18219
7770 1 15 . 1 1 102 102 ARG H H 93 7.893 7.893 8.291 -0.398 18219
7771 1 15 . 1 1 103 103 LEU N N 94 119.114 119.114 120.944 -1.830 18219
7772 1 15 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.153 -0.043 18219
7773 1 15 . 1 1 103 103 LEU C C 94 175.889 175.889 178.049 -2.160 18219
7774 1 15 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.528 -0.228 18219
7775 1 15 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.911 -0.615 18219
7776 1 15 . 1 1 103 103 LEU H H 94 7.622 7.622 7.933 -0.311 18219
7777 1 15 . 1 1 104 104 VAL N N 95 117.704 117.704 119.275 -1.571 18219
7778 1 15 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.744 -0.214 18219
7779 1 15 . 1 1 104 104 VAL C C 95 175.042 175.042 177.413 -2.371 18219
7780 1 15 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.238 1.181 18219
7781 1 15 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.915 -0.558 18219
7782 1 15 . 1 1 104 104 VAL H H 95 8.026 8.026 7.916 0.110 18219
7783 1 15 . 1 1 105 105 LEU N N 96 117.185 117.185 118.364 -1.179 18219
7784 1 15 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.127 -0.147 18219
7785 1 15 . 1 1 105 105 LEU C C 96 176.579 176.579 177.736 -1.157 18219
7786 1 15 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.620 0.180 18219
7787 1 15 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.402 -1.451 18219
7788 1 15 . 1 1 105 105 LEU H H 96 7.893 7.893 7.498 0.395 18219
7789 1 15 . 1 1 106 106 LEU N N 97 118.471 118.471 118.624 -0.153 18219
7790 1 15 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.900 0.280 18219
7791 1 15 . 1 1 106 106 LEU C C 97 175.802 175.802 176.070 -0.268 18219
7792 1 15 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.038 1.262 18219
7793 1 15 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.699 0.893 18219
7794 1 15 . 1 1 106 106 LEU H H 97 7.545 7.545 7.730 -0.185 18219
7795 1 15 . 1 1 107 107 LEU N N 98 118.162 118.162 114.159 4.003 18219
7796 1 15 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.840 0.390 18219
7797 1 15 . 1 1 107 107 LEU C C 98 174.174 174.174 177.502 -3.328 18219
7798 1 15 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.777 0.506 18219
7799 1 15 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.816 2.546 18219
7800 1 15 . 1 1 107 107 LEU H H 98 7.688 7.688 8.253 -0.565 18219
7801 1 16 . 1 1 11 11 ASP N N 2 120.536 120.536 122.689 -2.153 18219
7802 1 16 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.531 2.387 18219
7803 1 16 . 1 1 11 11 ASP CB C 2 37.959 37.959 43.739 -5.780 18219
7804 1 16 . 1 1 11 11 ASP H H 2 7.863 7.863 8.183 -0.320 18219
7805 1 16 . 1 1 12 12 LEU N N 3 121.414 121.414 122.415 -1.001 18219
7806 1 16 . 1 1 12 12 LEU C C 3 176.162 176.162 178.875 -2.713 18219
7807 1 16 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.830 0.770 18219
7808 1 16 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.184 -0.527 18219
7809 1 16 . 1 1 12 12 LEU H H 3 8.285 8.285 8.554 -0.269 18219
7810 1 16 . 1 1 13 13 ILE N N 4 118.854 118.854 117.402 1.452 18219
7811 1 16 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.835 -0.095 18219
7812 1 16 . 1 1 13 13 ILE C C 4 175.228 175.228 177.977 -2.749 18219
7813 1 16 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.116 1.384 18219
7814 1 16 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.265 -1.163 18219
7815 1 16 . 1 1 13 13 ILE H H 4 8.031 8.031 7.844 0.187 18219
7816 1 16 . 1 1 14 14 GLY N N 5 107.478 107.478 106.398 1.080 18219
7817 1 16 . 1 1 14 14 GLY C C 5 174.424 174.424 175.958 -1.534 18219
7818 1 16 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.685 0.373 18219
7819 1 16 . 1 1 14 14 GLY H H 5 8.148 8.148 8.308 -0.160 18219
7820 1 16 . 1 1 15 15 PHE N N 6 122.774 122.774 123.696 -0.922 18219
7821 1 16 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.274 0.206 18219
7822 1 16 . 1 1 15 15 PHE C C 6 175.113 175.113 177.083 -1.970 18219
7823 1 16 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.903 -1.886 18219
7824 1 16 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.549 0.225 18219
7825 1 16 . 1 1 15 15 PHE H H 6 8.194 8.194 8.481 -0.287 18219
7826 1 16 . 1 1 16 16 GLY N N 7 107.938 107.938 106.741 1.197 18219
7827 1 16 . 1 1 16 16 GLY C C 7 171.838 171.838 175.634 -3.796 18219
7828 1 16 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.490 -0.390 18219
7829 1 16 . 1 1 16 16 GLY H H 7 8.697 8.697 8.653 0.044 18219
7830 1 16 . 1 1 17 17 TYR N N 8 121.785 121.785 123.570 -1.785 18219
7831 1 16 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.087 0.063 18219
7832 1 16 . 1 1 17 17 TYR C C 8 174.180 174.180 177.663 -3.483 18219
7833 1 16 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.363 -0.063 18219
7834 1 16 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.386 -0.427 18219
7835 1 16 . 1 1 17 17 TYR H H 8 8.710 8.710 8.235 0.475 18219
7836 1 16 . 1 1 18 18 ALA N N 9 120.233 120.233 120.217 0.016 18219
7837 1 16 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.977 -0.027 18219
7838 1 16 . 1 1 18 18 ALA C C 9 178.059 178.059 178.928 -0.869 18219
7839 1 16 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.559 0.313 18219
7840 1 16 . 1 1 18 18 ALA CB C 9 17.562 17.562 18.126 -0.564 18219
7841 1 16 . 1 1 18 18 ALA H H 9 7.843 7.843 7.960 -0.117 18219
7842 1 16 . 1 1 19 19 ALA N N 10 121.797 121.797 122.953 -1.156 18219
7843 1 16 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.946 0.004 18219
7844 1 16 . 1 1 19 19 ALA C C 10 176.191 176.191 179.467 -3.276 18219
7845 1 16 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.966 -0.366 18219
7846 1 16 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.296 -0.734 18219
7847 1 16 . 1 1 19 19 ALA H H 10 8.212 8.212 8.173 0.039 18219
7848 1 16 . 1 1 20 20 LEU N N 11 119.442 119.442 117.310 2.132 18219
7849 1 16 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.022 -0.085 18219
7850 1 16 . 1 1 20 20 LEU C C 11 176.694 176.694 178.886 -2.192 18219
7851 1 16 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.991 -0.191 18219
7852 1 16 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.053 0.169 18219
7853 1 16 . 1 1 20 20 LEU H H 11 8.065 8.065 8.373 -0.308 18219
7854 1 16 . 1 1 21 21 VAL N N 12 118.323 118.323 120.292 -1.969 18219
7855 1 16 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.531 0.109 18219
7856 1 16 . 1 1 21 21 VAL C C 12 176.536 176.536 178.554 -2.018 18219
7857 1 16 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.957 -1.557 18219
7858 1 16 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.807 0.328 18219
7859 1 16 . 1 1 21 21 VAL H H 12 8.051 8.051 8.392 -0.341 18219
7860 1 16 . 1 1 22 22 THR N N 13 118.298 118.298 116.575 1.723 18219
7861 1 16 . 1 1 22 22 THR HA H 13 4.660 4.660 4.060 0.600 18219
7862 1 16 . 1 1 22 22 THR C C 13 173.734 173.734 176.766 -3.032 18219
7863 1 16 . 1 1 22 22 THR CA C 13 66.300 66.300 66.395 -0.095 18219
7864 1 16 . 1 1 22 22 THR CB C 13 67.775 67.775 68.385 -0.609 18219
7865 1 16 . 1 1 22 22 THR H H 13 7.944 7.944 8.204 -0.260 18219
7866 1 16 . 1 1 23 23 PHE N N 14 121.328 121.328 122.718 -1.390 18219
7867 1 16 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.275 0.065 18219
7868 1 16 . 1 1 23 23 PHE C C 14 174.783 174.783 177.301 -2.518 18219
7869 1 16 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.525 -1.025 18219
7870 1 16 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.856 -0.230 18219
7871 1 16 . 1 1 23 23 PHE H H 14 8.567 8.567 8.476 0.092 18219
7872 1 16 . 1 1 24 24 GLY N N 15 106.871 106.871 105.603 1.268 18219
7873 1 16 . 1 1 24 24 GLY C C 15 172.858 172.858 175.882 -3.024 18219
7874 1 16 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.243 -0.343 18219
7875 1 16 . 1 1 24 24 GLY H H 15 8.475 8.475 8.913 -0.438 18219
7876 1 16 . 1 1 25 25 SER N N 16 116.214 116.214 117.048 -0.834 18219
7877 1 16 . 1 1 25 25 SER HA H 16 4.280 4.280 4.276 0.004 18219
7878 1 16 . 1 1 25 25 SER CA C 16 60.300 60.300 61.917 -1.617 18219
7879 1 16 . 1 1 25 25 SER CB C 16 62.879 62.879 63.246 -0.367 18219
7880 1 16 . 1 1 25 25 SER H H 16 7.963 7.963 7.905 0.058 18219
7881 1 16 . 1 1 26 26 ILE N N 17 121.024 121.024 122.540 -1.516 18219
7882 1 16 . 1 1 26 26 ILE HA H 17 3.946 3.946 4.106 -0.160 18219
7883 1 16 . 1 1 26 26 ILE C C 17 173.935 173.935 177.547 -3.612 18219
7884 1 16 . 1 1 26 26 ILE CA C 17 63.100 63.100 63.577 -0.477 18219
7885 1 16 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.138 0.969 18219
7886 1 16 . 1 1 26 26 ILE H H 17 7.676 7.676 8.166 -0.490 18219
7887 1 16 . 1 1 27 27 PHE N N 18 117.142 117.142 118.622 -1.480 18219
7888 1 16 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.080 0.350 18219
7889 1 16 . 1 1 27 27 PHE C C 18 173.504 173.504 177.445 -3.941 18219
7890 1 16 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.315 -1.815 18219
7891 1 16 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.130 -0.356 18219
7892 1 16 . 1 1 27 27 PHE H H 18 7.703 7.703 8.040 -0.337 18219
7893 1 16 . 1 1 28 28 GLY N N 19 107.303 107.303 106.403 0.900 18219
7894 1 16 . 1 1 28 28 GLY C C 19 171.593 171.593 174.317 -2.724 18219
7895 1 16 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.395 0.205 18219
7896 1 16 . 1 1 28 28 GLY H H 19 7.722 7.722 7.669 0.053 18219
7897 1 16 . 1 1 29 29 TYR N N 20 119.862 119.862 120.372 -0.510 18219
7898 1 16 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.141 0.251 18219
7899 1 16 . 1 1 29 29 TYR C C 20 173.174 173.174 175.364 -2.190 18219
7900 1 16 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.172 0.327 18219
7901 1 16 . 1 1 29 29 TYR CB C 20 38.404 38.404 36.943 1.461 18219
7902 1 16 . 1 1 29 29 TYR H H 20 7.880 7.880 8.144 -0.264 18219
7903 1 16 . 1 1 30 30 LYS N N 21 122.335 122.335 125.814 -3.479 18219
7904 1 16 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.137 0.253 18219
7905 1 16 . 1 1 30 30 LYS C C 21 173.547 173.547 176.334 -2.787 18219
7906 1 16 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.573 -1.773 18219
7907 1 16 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.749 -0.353 18219
7908 1 16 . 1 1 30 30 LYS H H 21 7.934 7.934 8.442 -0.508 18219
7909 1 16 . 1 1 31 31 ARG N N 22 120.612 120.612 124.312 -3.700 18219
7910 1 16 . 1 1 31 31 ARG C C 22 173.547 173.547 175.968 -2.421 18219
7911 1 16 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.599 0.235 18219
7912 1 16 . 1 1 31 31 ARG CB C 22 30.101 30.101 31.065 -0.964 18219
7913 1 16 . 1 1 31 31 ARG H H 22 7.905 7.905 8.564 -0.659 18219
7914 1 16 . 1 1 32 32 ARG N N 23 121.748 121.748 121.548 0.200 18219
7915 1 16 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.498 -0.188 18219
7916 1 16 . 1 1 32 32 ARG C C 23 173.863 173.863 176.716 -2.853 18219
7917 1 16 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.986 -2.187 18219
7918 1 16 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.874 -0.629 18219
7919 1 16 . 1 1 32 32 ARG H H 23 8.175 8.175 8.795 -0.620 18219
7920 1 16 . 1 1 33 33 GLY N N 24 109.528 109.528 105.507 4.021 18219
7921 1 16 . 1 1 33 33 GLY C C 24 171.752 171.752 173.252 -1.500 18219
7922 1 16 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.582 0.318 18219
7923 1 16 . 1 1 33 33 GLY H H 24 8.264 8.264 7.671 0.593 18219
7924 1 16 . 1 1 34 34 GLY N N 25 108.563 108.563 108.562 0.001 18219
7925 1 16 . 1 1 34 34 GLY C C 25 171.701 171.701 174.245 -2.544 18219
7926 1 16 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.798 -0.198 18219
7927 1 16 . 1 1 34 34 GLY H H 25 8.208 8.208 7.979 0.229 18219
7928 1 16 . 1 1 35 35 VAL N N 26 121.164 121.164 119.356 1.808 18219
7929 1 16 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.018 -0.008 18219
7930 1 16 . 1 1 35 35 VAL C C 26 175.888 175.888 175.329 0.559 18219
7931 1 16 . 1 1 35 35 VAL CA C 26 63.900 63.900 63.817 0.083 18219
7932 1 16 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.599 -0.909 18219
7933 1 16 . 1 1 35 35 VAL H H 26 8.485 8.485 8.120 0.365 18219
7934 1 16 . 1 1 36 36 PRO C C 27 177.660 177.660 175.929 1.731 18219
7935 1 16 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.435 -0.588 18219
7936 1 16 . 1 1 37 37 SER N N 28 116.023 116.023 112.438 3.585 18219
7937 1 16 . 1 1 37 37 SER HA H 28 4.280 4.280 4.532 -0.252 18219
7938 1 16 . 1 1 37 37 SER CA C 28 61.100 61.100 59.803 1.297 18219
7939 1 16 . 1 1 37 37 SER H H 28 7.948 7.948 8.335 -0.387 18219
7940 1 16 . 1 1 38 38 LEU N N 29 124.029 124.029 122.305 1.724 18219
7941 1 16 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.133 0.037 18219
7942 1 16 . 1 1 38 38 LEU C C 29 176.132 176.132 178.523 -2.391 18219
7943 1 16 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.123 -0.623 18219
7944 1 16 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.898 1.140 18219
7945 1 16 . 1 1 38 38 LEU H H 29 8.201 8.201 7.931 0.270 18219
7946 1 16 . 1 1 39 39 ILE N N 30 117.098 117.098 119.086 -1.988 18219
7947 1 16 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.792 0.578 18219
7948 1 16 . 1 1 39 39 ILE C C 30 176.478 176.478 177.758 -1.280 18219
7949 1 16 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.569 -0.490 18219
7950 1 16 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.504 0.469 18219
7951 1 16 . 1 1 39 39 ILE H H 30 7.662 7.662 8.247 -0.585 18219
7952 1 16 . 1 1 40 40 ALA N N 31 122.447 122.447 123.467 -1.020 18219
7953 1 16 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.081 -0.047 18219
7954 1 16 . 1 1 40 40 ALA C C 31 177.067 177.067 179.296 -2.229 18219
7955 1 16 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.279 0.684 18219
7956 1 16 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.289 -0.433 18219
7957 1 16 . 1 1 40 40 ALA H H 31 8.096 8.096 7.924 0.172 18219
7958 1 16 . 1 1 41 41 GLY N N 32 104.056 104.056 107.498 -3.442 18219
7959 1 16 . 1 1 41 41 GLY C C 32 174.251 174.251 176.057 -1.806 18219
7960 1 16 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.836 -0.336 18219
7961 1 16 . 1 1 41 41 GLY H H 32 8.123 8.123 8.194 -0.071 18219
7962 1 16 . 1 1 42 42 LEU N N 33 123.250 123.250 123.097 0.153 18219
7963 1 16 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.991 -0.134 18219
7964 1 16 . 1 1 42 42 LEU C C 33 176.033 176.033 178.402 -2.369 18219
7965 1 16 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.372 -1.704 18219
7966 1 16 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.077 -0.356 18219
7967 1 16 . 1 1 42 42 LEU H H 33 7.914 7.914 8.508 -0.594 18219
7968 1 16 . 1 1 43 43 PHE N N 34 119.757 119.757 119.014 0.743 18219
7969 1 16 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.007 0.193 18219
7970 1 16 . 1 1 43 43 PHE C C 34 174.374 174.374 177.483 -3.109 18219
7971 1 16 . 1 1 43 43 PHE CA C 34 59.876 59.876 61.880 -2.004 18219
7972 1 16 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.671 0.163 18219
7973 1 16 . 1 1 43 43 PHE H H 34 8.287 8.287 8.059 0.228 18219
7974 1 16 . 1 1 44 44 VAL N N 35 117.791 117.791 118.382 -0.591 18219
7975 1 16 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.604 0.006 18219
7976 1 16 . 1 1 44 44 VAL C C 35 176.205 176.205 178.590 -2.385 18219
7977 1 16 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.738 -2.179 18219
7978 1 16 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.136 0.296 18219
7979 1 16 . 1 1 44 44 VAL H H 35 8.235 8.235 8.417 -0.182 18219
7980 1 16 . 1 1 45 45 GLY N N 36 108.551 108.551 106.820 1.731 18219
7981 1 16 . 1 1 45 45 GLY C C 36 173.749 173.749 176.234 -2.485 18219
7982 1 16 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.101 -1.018 18219
7983 1 16 . 1 1 45 45 GLY H H 36 8.178 8.178 8.381 -0.203 18219
7984 1 16 . 1 1 46 46 CYS N N 37 121.173 121.173 122.592 -1.419 18219
7985 1 16 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.225 -0.045 18219
7986 1 16 . 1 1 46 46 CYS C C 37 173.710 173.710 176.604 -2.894 18219
7987 1 16 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.060 -0.060 18219
7988 1 16 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.206 33.077 18219
7989 1 16 . 1 1 46 46 CYS H H 37 8.253 8.253 8.054 0.199 18219
7990 1 16 . 1 1 47 47 LEU N N 38 120.283 120.283 120.777 -0.494 18219
7991 1 16 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.054 0.006 18219
7992 1 16 . 1 1 47 47 LEU C C 38 176.679 176.679 178.379 -1.700 18219
7993 1 16 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.229 -2.202 18219
7994 1 16 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.700 0.764 18219
7995 1 16 . 1 1 47 47 LEU H H 38 7.965 7.965 8.408 -0.443 18219
7996 1 16 . 1 1 48 48 ALA N N 39 122.249 122.249 122.055 0.194 18219
7997 1 16 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.940 0.202 18219
7998 1 16 . 1 1 48 48 ALA C C 39 177.915 177.915 179.458 -1.543 18219
7999 1 16 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.405 -1.688 18219
8000 1 16 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.090 -0.105 18219
8001 1 16 . 1 1 48 48 ALA H H 39 8.066 8.066 8.508 -0.442 18219
8002 1 16 . 1 1 49 49 GLY N N 40 107.377 107.377 107.387 -0.010 18219
8003 1 16 . 1 1 49 49 GLY C C 40 172.527 172.527 175.505 -2.978 18219
8004 1 16 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.650 -1.200 18219
8005 1 16 . 1 1 49 49 GLY H H 40 8.172 8.172 7.947 0.225 18219
8006 1 16 . 1 1 50 50 TYR N N 41 122.409 122.409 123.571 -1.162 18219
8007 1 16 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.817 -0.018 18219
8008 1 16 . 1 1 50 50 TYR C C 41 174.208 174.208 177.378 -3.170 18219
8009 1 16 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.107 -1.862 18219
8010 1 16 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.446 -0.510 18219
8011 1 16 . 1 1 50 50 TYR H H 41 7.800 7.800 8.560 -0.760 18219
8012 1 16 . 1 1 51 51 GLY N N 42 106.935 106.935 105.117 1.818 18219
8013 1 16 . 1 1 51 51 GLY C C 42 172.642 172.642 175.498 -2.856 18219
8014 1 16 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.531 0.734 18219
8015 1 16 . 1 1 51 51 GLY H H 42 8.199 8.199 7.987 0.212 18219
8016 1 16 . 1 1 52 52 ALA N N 43 123.018 123.018 124.595 -1.577 18219
8017 1 16 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.000 0.150 18219
8018 1 16 . 1 1 52 52 ALA C C 43 176.398 176.398 178.519 -2.121 18219
8019 1 16 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.245 -1.362 18219
8020 1 16 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.195 0.046 18219
8021 1 16 . 1 1 52 52 ALA H H 43 7.758 7.758 8.007 -0.249 18219
8022 1 16 . 1 1 53 53 TYR N N 44 119.664 119.664 118.953 0.711 18219
8023 1 16 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.061 0.257 18219
8024 1 16 . 1 1 53 53 TYR C C 44 174.180 174.180 177.753 -3.573 18219
8025 1 16 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.929 -2.336 18219
8026 1 16 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.069 0.123 18219
8027 1 16 . 1 1 53 53 TYR H H 44 7.920 7.920 8.119 -0.199 18219
8028 1 16 . 1 1 54 54 ARG N N 45 119.516 119.516 116.758 2.758 18219
8029 1 16 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.105 -0.175 18219
8030 1 16 . 1 1 54 54 ARG C C 45 174.423 174.423 177.151 -2.728 18219
8031 1 16 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.301 -1.274 18219
8032 1 16 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.873 -0.700 18219
8033 1 16 . 1 1 54 54 ARG H H 45 7.956 7.956 7.834 0.122 18219
8034 1 16 . 1 1 55 55 VAL N N 46 116.437 116.437 115.470 0.967 18219
8035 1 16 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.735 0.325 18219
8036 1 16 . 1 1 55 55 VAL C C 46 173.806 173.806 174.788 -0.982 18219
8037 1 16 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.941 -1.641 18219
8038 1 16 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.258 0.263 18219
8039 1 16 . 1 1 55 55 VAL H H 46 7.489 7.489 7.905 -0.416 18219
8040 1 16 . 1 1 56 56 SER N N 47 117.185 117.185 114.155 3.030 18219
8041 1 16 . 1 1 56 56 SER HA H 47 4.401 4.401 4.418 -0.017 18219
8042 1 16 . 1 1 56 56 SER C C 47 172.074 172.074 174.678 -2.604 18219
8043 1 16 . 1 1 56 56 SER CA C 47 58.133 58.133 59.366 -1.233 18219
8044 1 16 . 1 1 56 56 SER CB C 47 63.468 63.468 62.950 0.518 18219
8045 1 16 . 1 1 56 56 SER H H 47 7.728 7.728 8.532 -0.804 18219
8046 1 16 . 1 1 57 57 ASN N N 48 121.049 121.049 119.594 1.455 18219
8047 1 16 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.648 -0.058 18219
8048 1 16 . 1 1 57 57 ASN CA C 48 53.600 53.600 55.153 -1.553 18219
8049 1 16 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.204 -0.563 18219
8050 1 16 . 1 1 57 57 ASN H H 48 8.228 8.228 8.068 0.160 18219
8051 1 16 . 1 1 58 58 ASP N N 49 120.276 120.276 117.097 3.179 18219
8052 1 16 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.762 -0.232 18219
8053 1 16 . 1 1 58 58 ASP CA C 49 54.202 54.202 53.441 0.761 18219
8054 1 16 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.957 -1.583 18219
8055 1 16 . 1 1 58 58 ASP H H 49 8.192 8.192 8.452 -0.260 18219
8056 1 16 . 1 1 59 59 LYS N N 50 120.660 120.660 117.925 2.735 18219
8057 1 16 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.948 0.252 18219
8058 1 16 . 1 1 59 59 LYS C C 50 173.474 173.474 176.498 -3.024 18219
8059 1 16 . 1 1 59 59 LYS CA C 50 56.300 56.300 58.753 -2.453 18219
8060 1 16 . 1 1 59 59 LYS CB C 50 32.034 32.034 30.870 1.163 18219
8061 1 16 . 1 1 59 59 LYS H H 50 8.003 8.003 7.714 0.289 18219
8062 1 16 . 1 1 60 60 ARG N N 51 121.278 121.278 120.302 0.976 18219
8063 1 16 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.069 0.131 18219
8064 1 16 . 1 1 60 60 ARG C C 51 173.303 173.303 175.865 -2.562 18219
8065 1 16 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.516 -1.233 18219
8066 1 16 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.448 -0.210 18219
8067 1 16 . 1 1 60 60 ARG H H 51 8.091 8.091 8.099 -0.008 18219
8068 1 16 . 1 1 61 61 ASP N N 52 121.185 121.185 119.248 1.937 18219
8069 1 16 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.626 -0.011 18219
8070 1 16 . 1 1 61 61 ASP C C 52 173.777 173.777 178.150 -4.373 18219
8071 1 16 . 1 1 61 61 ASP CA C 52 53.979 53.979 56.470 -2.491 18219
8072 1 16 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.746 -1.501 18219
8073 1 16 . 1 1 61 61 ASP H H 52 8.261 8.261 8.399 -0.138 18219
8074 1 16 . 1 1 62 62 VAL N N 53 121.902 121.902 120.679 1.223 18219
8075 1 16 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.992 -0.042 18219
8076 1 16 . 1 1 62 62 VAL C C 53 173.279 173.279 177.268 -3.989 18219
8077 1 16 . 1 1 62 62 VAL CA C 53 63.176 63.176 65.531 -2.354 18219
8078 1 16 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.141 -0.042 18219
8079 1 16 . 1 1 62 62 VAL H H 53 7.997 7.997 8.034 -0.037 18219
8080 1 16 . 1 1 63 63 LYS N N 54 123.522 123.522 120.812 2.710 18219
8081 1 16 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.033 0.227 18219
8082 1 16 . 1 1 63 63 LYS C C 54 174.481 174.481 177.984 -3.503 18219
8083 1 16 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.788 -3.441 18219
8084 1 16 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.907 0.192 18219
8085 1 16 . 1 1 63 63 LYS H H 54 8.054 8.054 8.140 -0.086 18219
8086 1 16 . 1 1 64 64 VAL N N 55 120.647 120.647 117.337 3.310 18219
8087 1 16 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.933 0.014 18219
8088 1 16 . 1 1 64 64 VAL C C 55 174.955 174.955 177.746 -2.791 18219
8089 1 16 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.012 -0.412 18219
8090 1 16 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.776 1.101 18219
8091 1 16 . 1 1 64 64 VAL H H 55 8.225 8.225 7.872 0.353 18219
8092 1 16 . 1 1 65 65 SER N N 56 117.785 117.785 116.630 1.155 18219
8093 1 16 . 1 1 65 65 SER HA H 56 4.390 4.390 4.102 0.288 18219
8094 1 16 . 1 1 65 65 SER C C 56 172.300 172.300 176.433 -4.133 18219
8095 1 16 . 1 1 65 65 SER CA C 56 60.000 60.000 62.421 -2.421 18219
8096 1 16 . 1 1 65 65 SER CB C 56 62.879 62.879 63.103 -0.224 18219
8097 1 16 . 1 1 65 65 SER H H 56 8.260 8.260 7.509 0.751 18219
8098 1 16 . 1 1 66 66 LEU N N 57 123.318 123.318 122.280 1.038 18219
8099 1 16 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.195 -0.105 18219
8100 1 16 . 1 1 66 66 LEU C C 57 175.932 175.932 178.133 -2.201 18219
8101 1 16 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.321 -0.819 18219
8102 1 16 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.165 -0.444 18219
8103 1 16 . 1 1 66 66 LEU H H 57 8.091 8.091 8.111 -0.020 18219
8104 1 16 . 1 1 67 67 PHE N N 58 118.020 118.020 118.699 -0.679 18219
8105 1 16 . 1 1 67 67 PHE HA H 58 4.330 4.330 3.944 0.386 18219
8106 1 16 . 1 1 67 67 PHE C C 58 174.912 174.912 177.498 -2.586 18219
8107 1 16 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.613 -1.013 18219
8108 1 16 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.716 -0.164 18219
8109 1 16 . 1 1 67 67 PHE H H 58 8.066 8.066 8.430 -0.364 18219
8110 1 16 . 1 1 68 68 THR N N 59 115.324 115.324 115.913 -0.589 18219
8111 1 16 . 1 1 68 68 THR HA H 59 4.310 4.310 3.835 0.475 18219
8112 1 16 . 1 1 68 68 THR C C 59 173.380 173.380 176.244 -2.864 18219
8113 1 16 . 1 1 68 68 THR CA C 59 66.313 66.313 67.543 -1.230 18219
8114 1 16 . 1 1 68 68 THR CB C 59 67.700 67.700 68.867 -1.167 18219
8115 1 16 . 1 1 68 68 THR H H 59 8.287 8.287 8.356 -0.069 18219
8116 1 16 . 1 1 69 69 ALA N N 60 123.621 123.621 124.589 -0.968 18219
8117 1 16 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.031 0.249 18219
8118 1 16 . 1 1 69 69 ALA C C 60 176.978 176.978 179.906 -2.928 18219
8119 1 16 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.088 0.012 18219
8120 1 16 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.261 -0.533 18219
8121 1 16 . 1 1 69 69 ALA H H 60 7.983 7.983 8.049 -0.066 18219
8122 1 16 . 1 1 70 70 PHE N N 61 118.520 118.520 117.747 0.773 18219
8123 1 16 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.155 0.105 18219
8124 1 16 . 1 1 70 70 PHE C C 61 175.369 175.369 177.598 -2.229 18219
8125 1 16 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.361 -2.182 18219
8126 1 16 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.983 -0.277 18219
8127 1 16 . 1 1 70 70 PHE H H 61 8.007 8.007 8.685 -0.678 18219
8128 1 16 . 1 1 71 71 PHE N N 62 122.314 122.314 120.043 2.271 18219
8129 1 16 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.056 -0.056 18219
8130 1 16 . 1 1 71 71 PHE C C 62 174.697 174.697 177.425 -2.728 18219
8131 1 16 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.207 -1.690 18219
8132 1 16 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.679 0.091 18219
8133 1 16 . 1 1 71 71 PHE H H 62 8.546 8.546 8.119 0.427 18219
8134 1 16 . 1 1 72 72 LEU N N 63 119.399 119.399 119.568 -0.169 18219
8135 1 16 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.810 0.060 18219
8136 1 16 . 1 1 72 72 LEU C C 63 175.774 175.774 178.687 -2.913 18219
8137 1 16 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.516 -1.591 18219
8138 1 16 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.662 -0.455 18219
8139 1 16 . 1 1 72 72 LEU H H 63 8.396 8.396 8.708 -0.312 18219
8140 1 16 . 1 1 73 73 ALA N N 64 120.221 120.221 121.072 -0.851 18219
8141 1 16 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.841 0.119 18219
8142 1 16 . 1 1 73 73 ALA C C 64 177.267 177.267 179.519 -2.252 18219
8143 1 16 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.504 -0.904 18219
8144 1 16 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.723 0.062 18219
8145 1 16 . 1 1 73 73 ALA H H 64 8.025 8.025 8.039 -0.014 18219
8146 1 16 . 1 1 74 74 THR N N 65 113.648 113.648 115.124 -1.476 18219
8147 1 16 . 1 1 74 74 THR HA H 65 3.980 3.980 3.918 0.062 18219
8148 1 16 . 1 1 74 74 THR CA C 65 66.291 66.291 66.250 0.041 18219
8149 1 16 . 1 1 74 74 THR CB C 65 67.914 67.914 68.820 -0.906 18219
8150 1 16 . 1 1 74 74 THR H H 65 7.717 7.717 7.750 -0.033 18219
8151 1 16 . 1 1 75 75 ILE N N 66 120.291 120.291 119.731 0.560 18219
8152 1 16 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.576 0.164 18219
8153 1 16 . 1 1 75 75 ILE C C 66 174.951 174.951 178.504 -3.553 18219
8154 1 16 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.897 0.983 18219
8155 1 16 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.512 -0.346 18219
8156 1 16 . 1 1 75 75 ILE H H 66 7.738 7.738 8.299 -0.561 18219
8157 1 16 . 1 1 76 76 MET N N 67 117.618 117.618 116.924 0.694 18219
8158 1 16 . 1 1 76 76 MET HA H 67 4.220 4.220 4.165 0.055 18219
8159 1 16 . 1 1 76 76 MET C C 67 175.142 175.142 177.762 -2.620 18219
8160 1 16 . 1 1 76 76 MET CA C 67 56.723 56.723 57.795 -1.072 18219
8161 1 16 . 1 1 76 76 MET CB C 67 31.951 31.951 33.401 -1.450 18219
8162 1 16 . 1 1 76 76 MET H H 67 7.823 7.823 8.352 -0.529 18219
8163 1 16 . 1 1 77 77 GLY N N 68 107.110 107.110 105.109 2.001 18219
8164 1 16 . 1 1 77 77 GLY C C 68 172.260 172.260 175.285 -3.025 18219
8165 1 16 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.363 0.437 18219
8166 1 16 . 1 1 77 77 GLY H H 68 7.937 7.937 8.267 -0.330 18219
8167 1 16 . 1 1 78 78 VAL N N 69 120.431 120.431 118.512 1.919 18219
8168 1 16 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.670 0.550 18219
8169 1 16 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.403 -0.504 18219
8170 1 16 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.701 -0.195 18219
8171 1 16 . 1 1 78 78 VAL H H 69 7.697 7.697 7.955 -0.258 18219
8172 1 16 . 1 1 79 79 ARG N N 70 121.420 121.420 120.775 0.645 18219
8173 1 16 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.026 -0.216 18219
8174 1 16 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.986 -0.586 18219
8175 1 16 . 1 1 79 79 ARG CB C 70 30.097 30.097 29.031 1.066 18219
8176 1 16 . 1 1 79 79 ARG H H 70 7.889 7.889 8.075 -0.186 18219
8177 1 16 . 1 1 80 80 PHE N N 71 119.949 119.949 124.285 -4.336 18219
8178 1 16 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.590 -0.080 18219
8179 1 16 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.318 0.282 18219
8180 1 16 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.724 -0.578 18219
8181 1 16 . 1 1 80 80 PHE H H 71 8.101 8.101 8.277 -0.176 18219
8182 1 16 . 1 1 81 81 LYS N N 72 122.193 122.193 119.479 2.714 18219
8183 1 16 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.571 1.229 18219
8184 1 16 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.383 -2.061 18219
8185 1 16 . 1 1 81 81 LYS H H 72 8.090 8.090 7.972 0.118 18219
8186 1 16 . 1 1 82 82 ARG N N 73 119.650 119.650 121.935 -2.285 18219
8187 1 16 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.631 -0.542 18219
8188 1 16 . 1 1 82 82 ARG CB C 73 30.171 30.171 29.253 0.918 18219
8189 1 16 . 1 1 82 82 ARG H H 73 8.052 8.052 8.350 -0.298 18219
8190 1 16 . 1 1 83 83 SER N N 74 115.734 115.734 114.247 1.487 18219
8191 1 16 . 1 1 83 83 SER CA C 74 58.355 58.355 58.133 0.222 18219
8192 1 16 . 1 1 83 83 SER CB C 74 63.404 63.404 64.816 -1.412 18219
8193 1 16 . 1 1 83 83 SER H H 74 7.912 7.912 8.191 -0.279 18219
8194 1 16 . 1 1 84 84 LYS N N 75 122.370 122.370 123.655 -1.285 18219
8195 1 16 . 1 1 84 84 LYS CA C 75 56.135 56.135 57.221 -1.085 18219
8196 1 16 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.305 -1.130 18219
8197 1 16 . 1 1 84 84 LYS H H 75 8.067 8.067 8.295 -0.228 18219
8198 1 16 . 1 1 86 86 ILE N N 77 119.592 119.592 120.910 -1.318 18219
8199 1 16 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.135 -0.325 18219
8200 1 16 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.920 2.980 18219
8201 1 16 . 1 1 86 86 ILE CB C 77 39.145 39.145 39.418 -0.273 18219
8202 1 16 . 1 1 86 86 ILE H H 77 7.837 7.837 8.026 -0.189 18219
8203 1 16 . 1 1 87 87 MET N N 78 121.645 121.645 119.288 2.357 18219
8204 1 16 . 1 1 87 87 MET CA C 78 52.982 52.982 59.365 -6.383 18219
8205 1 16 . 1 1 87 87 MET CB C 78 32.173 32.173 31.420 0.753 18219
8206 1 16 . 1 1 87 87 MET H H 78 7.950 7.950 8.188 -0.238 18219
8207 1 16 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.525 -0.385 18219
8208 1 16 . 1 1 88 88 PRO C C 79 173.921 173.921 175.856 -1.935 18219
8209 1 16 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.353 0.447 18219
8210 1 16 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.231 1.905 18219
8211 1 16 . 1 1 89 89 ALA N N 80 124.431 124.431 123.412 1.019 18219
8212 1 16 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.201 0.199 18219
8213 1 16 . 1 1 89 89 ALA C C 80 176.234 176.234 179.262 -3.028 18219
8214 1 16 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.146 -1.846 18219
8215 1 16 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.757 -0.259 18219
8216 1 16 . 1 1 89 89 ALA H H 80 8.320 8.320 8.441 -0.121 18219
8217 1 16 . 1 1 90 90 GLY N N 81 106.834 106.834 106.654 0.180 18219
8218 1 16 . 1 1 90 90 GLY C C 81 172.398 172.398 175.143 -2.745 18219
8219 1 16 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.033 -0.433 18219
8220 1 16 . 1 1 90 90 GLY H H 81 8.458 8.458 8.758 -0.300 18219
8221 1 16 . 1 1 91 91 LEU N N 82 121.043 121.043 122.620 -1.577 18219
8222 1 16 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.066 0.134 18219
8223 1 16 . 1 1 91 91 LEU C C 82 174.783 174.783 178.401 -3.618 18219
8224 1 16 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.113 -1.813 18219
8225 1 16 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.283 -0.177 18219
8226 1 16 . 1 1 91 91 LEU H H 82 7.687 7.687 7.546 0.141 18219
8227 1 16 . 1 1 92 92 VAL N N 83 114.737 114.737 115.610 -0.873 18219
8228 1 16 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.668 0.312 18219
8229 1 16 . 1 1 92 92 VAL C C 83 173.634 173.634 177.849 -4.215 18219
8230 1 16 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.474 -4.074 18219
8231 1 16 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.229 0.356 18219
8232 1 16 . 1 1 92 92 VAL H H 83 7.602 7.602 7.504 0.098 18219
8233 1 16 . 1 1 93 93 ALA N N 84 124.320 124.320 121.580 2.740 18219
8234 1 16 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.111 0.039 18219
8235 1 16 . 1 1 93 93 ALA C C 84 175.746 175.746 179.685 -3.939 18219
8236 1 16 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.367 -2.067 18219
8237 1 16 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.830 0.411 18219
8238 1 16 . 1 1 93 93 ALA H H 84 7.891 7.891 8.400 -0.509 18219
8239 1 16 . 1 1 94 94 GLY N N 85 106.807 106.807 107.740 -0.933 18219
8240 1 16 . 1 1 94 94 GLY C C 85 171.752 171.752 175.934 -4.182 18219
8241 1 16 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.555 -1.306 18219
8242 1 16 . 1 1 94 94 GLY H H 85 8.204 8.204 7.882 0.322 18219
8243 1 16 . 1 1 95 95 LEU N N 86 121.266 121.266 122.244 -0.978 18219
8244 1 16 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.286 0.094 18219
8245 1 16 . 1 1 95 95 LEU C C 86 173.702 173.702 179.619 -5.917 18219
8246 1 16 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.556 -2.556 18219
8247 1 16 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.684 0.615 18219
8248 1 16 . 1 1 95 95 LEU H H 86 7.718 7.718 8.191 -0.473 18219
8249 1 16 . 1 1 96 96 SER N N 87 115.658 115.658 116.766 -1.108 18219
8250 1 16 . 1 1 96 96 SER HA H 87 4.370 4.370 4.264 0.106 18219
8251 1 16 . 1 1 96 96 SER C C 87 172.479 172.479 176.392 -3.913 18219
8252 1 16 . 1 1 96 96 SER CA C 87 57.200 57.200 62.429 -5.229 18219
8253 1 16 . 1 1 96 96 SER CB C 87 64.174 64.174 63.120 1.054 18219
8254 1 16 . 1 1 96 96 SER H H 87 7.659 7.659 8.323 -0.664 18219
8255 1 16 . 1 1 97 97 LEU N N 88 123.720 123.720 122.456 1.264 18219
8256 1 16 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.080 0.520 18219
8257 1 16 . 1 1 97 97 LEU C C 88 175.932 175.932 178.929 -2.997 18219
8258 1 16 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.653 -0.053 18219
8259 1 16 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.295 0.104 18219
8260 1 16 . 1 1 97 97 LEU H H 88 8.733 8.733 8.047 0.686 18219
8261 1 16 . 1 1 98 98 MET N N 89 116.684 116.684 120.143 -3.459 18219
8262 1 16 . 1 1 98 98 MET HA H 89 4.280 4.280 4.171 0.109 18219
8263 1 16 . 1 1 98 98 MET C C 89 175.789 175.789 178.041 -2.252 18219
8264 1 16 . 1 1 98 98 MET CA C 89 56.915 56.915 59.036 -2.121 18219
8265 1 16 . 1 1 98 98 MET CB C 89 31.007 31.007 32.767 -1.760 18219
8266 1 16 . 1 1 98 98 MET H H 89 8.342 8.342 8.224 0.118 18219
8267 1 16 . 1 1 99 99 MET N N 90 119.182 119.182 118.124 1.058 18219
8268 1 16 . 1 1 99 99 MET HA H 90 4.110 4.110 4.258 -0.148 18219
8269 1 16 . 1 1 99 99 MET C C 90 175.588 175.588 179.058 -3.470 18219
8270 1 16 . 1 1 99 99 MET CA C 90 57.951 57.951 58.628 -0.677 18219
8271 1 16 . 1 1 99 99 MET CB C 90 32.226 32.226 32.014 0.212 18219
8272 1 16 . 1 1 99 99 MET H H 90 7.720 7.720 8.256 -0.536 18219
8273 1 16 . 1 1 100 100 ILE N N 91 119.077 119.077 119.984 -0.907 18219
8274 1 16 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.916 0.194 18219
8275 1 16 . 1 1 100 100 ILE C C 91 174.634 174.634 177.160 -2.526 18219
8276 1 16 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.533 -0.433 18219
8277 1 16 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.549 -1.406 18219
8278 1 16 . 1 1 100 100 ILE H H 91 7.662 7.662 8.414 -0.752 18219
8279 1 16 . 1 1 101 101 LEU N N 92 119.646 119.646 121.349 -1.703 18219
8280 1 16 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.941 0.589 18219
8281 1 16 . 1 1 101 101 LEU C C 92 175.430 175.430 178.652 -3.222 18219
8282 1 16 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.990 -0.190 18219
8283 1 16 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.734 -0.976 18219
8284 1 16 . 1 1 101 101 LEU H H 92 8.142 8.142 7.744 0.398 18219
8285 1 16 . 1 1 102 102 ARG N N 93 116.394 116.394 118.295 -1.901 18219
8286 1 16 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.302 -0.162 18219
8287 1 16 . 1 1 102 102 ARG C C 93 175.961 175.961 178.604 -2.643 18219
8288 1 16 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.411 0.689 18219
8289 1 16 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.599 -1.195 18219
8290 1 16 . 1 1 102 102 ARG H H 93 7.893 7.893 8.321 -0.428 18219
8291 1 16 . 1 1 103 103 LEU N N 94 119.114 119.114 121.415 -2.301 18219
8292 1 16 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.179 -0.069 18219
8293 1 16 . 1 1 103 103 LEU C C 94 175.889 175.889 177.951 -2.062 18219
8294 1 16 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.604 -0.304 18219
8295 1 16 . 1 1 103 103 LEU CB C 94 41.296 41.296 42.008 -0.712 18219
8296 1 16 . 1 1 103 103 LEU H H 94 7.622 7.622 7.715 -0.093 18219
8297 1 16 . 1 1 104 104 VAL N N 95 117.704 117.704 117.964 -0.260 18219
8298 1 16 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.810 -0.280 18219
8299 1 16 . 1 1 104 104 VAL C C 95 175.042 175.042 177.511 -2.469 18219
8300 1 16 . 1 1 104 104 VAL CA C 95 66.419 66.419 64.753 1.666 18219
8301 1 16 . 1 1 104 104 VAL CB C 95 31.357 31.357 32.110 -0.753 18219
8302 1 16 . 1 1 104 104 VAL H H 95 8.026 8.026 8.356 -0.330 18219
8303 1 16 . 1 1 105 105 LEU N N 96 117.185 117.185 116.040 1.145 18219
8304 1 16 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.159 -0.179 18219
8305 1 16 . 1 1 105 105 LEU C C 96 176.579 176.579 178.069 -1.490 18219
8306 1 16 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.442 0.358 18219
8307 1 16 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.187 -1.236 18219
8308 1 16 . 1 1 105 105 LEU H H 96 7.893 7.893 7.498 0.395 18219
8309 1 16 . 1 1 106 106 LEU N N 97 118.471 118.471 118.316 0.155 18219
8310 1 16 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.908 0.272 18219
8311 1 16 . 1 1 106 106 LEU C C 97 175.802 175.802 176.053 -0.251 18219
8312 1 16 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.119 1.181 18219
8313 1 16 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.512 1.080 18219
8314 1 16 . 1 1 106 106 LEU H H 97 7.545 7.545 7.753 -0.208 18219
8315 1 16 . 1 1 107 107 LEU N N 98 118.162 118.162 114.139 4.023 18219
8316 1 16 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.835 0.395 18219
8317 1 16 . 1 1 107 107 LEU C C 98 174.174 174.174 177.623 -3.449 18219
8318 1 16 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.618 0.665 18219
8319 1 16 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.577 2.785 18219
8320 1 16 . 1 1 107 107 LEU H H 98 7.688 7.688 8.281 -0.593 18219
8321 1 17 . 1 1 11 11 ASP N N 2 120.536 120.536 120.800 -0.264 18219
8322 1 17 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.215 1.703 18219
8323 1 17 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.131 -3.172 18219
8324 1 17 . 1 1 11 11 ASP H H 2 7.863 7.863 8.280 -0.417 18219
8325 1 17 . 1 1 12 12 LEU N N 3 121.414 121.414 123.078 -1.664 18219
8326 1 17 . 1 1 12 12 LEU C C 3 176.162 176.162 178.502 -2.340 18219
8327 1 17 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.516 2.084 18219
8328 1 17 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.577 -0.920 18219
8329 1 17 . 1 1 12 12 LEU H H 3 8.285 8.285 7.935 0.350 18219
8330 1 17 . 1 1 13 13 ILE N N 4 118.854 118.854 118.741 0.113 18219
8331 1 17 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.873 -0.133 18219
8332 1 17 . 1 1 13 13 ILE C C 4 175.228 175.228 177.728 -2.500 18219
8333 1 17 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.522 0.978 18219
8334 1 17 . 1 1 13 13 ILE CB C 4 37.102 37.102 37.894 -0.792 18219
8335 1 17 . 1 1 13 13 ILE H H 4 8.031 8.031 7.931 0.100 18219
8336 1 17 . 1 1 14 14 GLY N N 5 107.478 107.478 106.316 1.162 18219
8337 1 17 . 1 1 14 14 GLY C C 5 174.424 174.424 175.789 -1.365 18219
8338 1 17 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.521 0.538 18219
8339 1 17 . 1 1 14 14 GLY H H 5 8.148 8.148 8.327 -0.179 18219
8340 1 17 . 1 1 15 15 PHE N N 6 122.774 122.774 123.742 -0.968 18219
8341 1 17 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.219 0.261 18219
8342 1 17 . 1 1 15 15 PHE C C 6 175.113 175.113 177.042 -1.929 18219
8343 1 17 . 1 1 15 15 PHE CA C 6 60.017 60.017 62.123 -2.107 18219
8344 1 17 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.509 0.265 18219
8345 1 17 . 1 1 15 15 PHE H H 6 8.194 8.194 8.035 0.159 18219
8346 1 17 . 1 1 16 16 GLY N N 7 107.938 107.938 106.456 1.482 18219
8347 1 17 . 1 1 16 16 GLY C C 7 171.838 171.838 175.554 -3.716 18219
8348 1 17 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.423 -0.323 18219
8349 1 17 . 1 1 16 16 GLY H H 7 8.697 8.697 8.637 0.060 18219
8350 1 17 . 1 1 17 17 TYR N N 8 121.785 121.785 123.814 -2.029 18219
8351 1 17 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.116 0.034 18219
8352 1 17 . 1 1 17 17 TYR C C 8 174.180 174.180 177.793 -3.613 18219
8353 1 17 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.307 0.993 18219
8354 1 17 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.307 -0.348 18219
8355 1 17 . 1 1 17 17 TYR H H 8 8.710 8.710 8.180 0.530 18219
8356 1 17 . 1 1 18 18 ALA N N 9 120.233 120.233 120.325 -0.092 18219
8357 1 17 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.808 0.142 18219
8358 1 17 . 1 1 18 18 ALA C C 9 178.059 178.059 179.232 -1.173 18219
8359 1 17 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.623 0.249 18219
8360 1 17 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.898 -0.336 18219
8361 1 17 . 1 1 18 18 ALA H H 9 7.843 7.843 8.673 -0.830 18219
8362 1 17 . 1 1 19 19 ALA N N 10 121.797 121.797 122.727 -0.930 18219
8363 1 17 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.925 0.025 18219
8364 1 17 . 1 1 19 19 ALA C C 10 176.191 176.191 179.415 -3.224 18219
8365 1 17 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.915 -0.315 18219
8366 1 17 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.261 -0.699 18219
8367 1 17 . 1 1 19 19 ALA H H 10 8.212 8.212 8.173 0.039 18219
8368 1 17 . 1 1 20 20 LEU N N 11 119.442 119.442 117.357 2.085 18219
8369 1 17 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.941 -0.004 18219
8370 1 17 . 1 1 20 20 LEU C C 11 176.694 176.694 178.806 -2.112 18219
8371 1 17 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.879 -0.079 18219
8372 1 17 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.023 0.199 18219
8373 1 17 . 1 1 20 20 LEU H H 11 8.065 8.065 8.449 -0.384 18219
8374 1 17 . 1 1 21 21 VAL N N 12 118.323 118.323 120.231 -1.908 18219
8375 1 17 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.434 0.206 18219
8376 1 17 . 1 1 21 21 VAL C C 12 176.536 176.536 178.396 -1.860 18219
8377 1 17 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.981 -1.581 18219
8378 1 17 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.669 0.466 18219
8379 1 17 . 1 1 21 21 VAL H H 12 8.051 8.051 8.109 -0.058 18219
8380 1 17 . 1 1 22 22 THR N N 13 118.298 118.298 116.668 1.630 18219
8381 1 17 . 1 1 22 22 THR HA H 13 4.660 4.660 3.962 0.698 18219
8382 1 17 . 1 1 22 22 THR C C 13 173.734 173.734 176.409 -2.675 18219
8383 1 17 . 1 1 22 22 THR CA C 13 66.300 66.300 67.134 -0.834 18219
8384 1 17 . 1 1 22 22 THR CB C 13 67.775 67.775 68.609 -0.834 18219
8385 1 17 . 1 1 22 22 THR H H 13 7.944 7.944 8.061 -0.117 18219
8386 1 17 . 1 1 23 23 PHE N N 14 121.328 121.328 122.325 -0.997 18219
8387 1 17 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.147 0.193 18219
8388 1 17 . 1 1 23 23 PHE C C 14 174.783 174.783 177.199 -2.416 18219
8389 1 17 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.564 -1.064 18219
8390 1 17 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.847 -0.221 18219
8391 1 17 . 1 1 23 23 PHE H H 14 8.567 8.567 8.337 0.230 18219
8392 1 17 . 1 1 24 24 GLY N N 15 106.871 106.871 105.149 1.722 18219
8393 1 17 . 1 1 24 24 GLY C C 15 172.858 172.858 176.912 -4.054 18219
8394 1 17 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.118 -0.218 18219
8395 1 17 . 1 1 24 24 GLY H H 15 8.475 8.475 8.908 -0.433 18219
8396 1 17 . 1 1 25 25 SER N N 16 116.214 116.214 117.236 -1.022 18219
8397 1 17 . 1 1 25 25 SER HA H 16 4.280 4.280 4.227 0.053 18219
8398 1 17 . 1 1 25 25 SER CA C 16 60.300 60.300 61.216 -0.916 18219
8399 1 17 . 1 1 25 25 SER CB C 16 62.879 62.879 63.093 -0.214 18219
8400 1 17 . 1 1 25 25 SER H H 16 7.963 7.963 7.862 0.101 18219
8401 1 17 . 1 1 26 26 ILE N N 17 121.024 121.024 122.402 -1.378 18219
8402 1 17 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.776 0.170 18219
8403 1 17 . 1 1 26 26 ILE C C 17 173.935 173.935 178.236 -4.301 18219
8404 1 17 . 1 1 26 26 ILE CA C 17 63.100 63.100 63.612 -0.512 18219
8405 1 17 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.566 0.540 18219
8406 1 17 . 1 1 26 26 ILE H H 17 7.676 7.676 8.015 -0.339 18219
8407 1 17 . 1 1 27 27 PHE N N 18 117.142 117.142 117.543 -0.401 18219
8408 1 17 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.042 0.388 18219
8409 1 17 . 1 1 27 27 PHE C C 18 173.504 173.504 177.025 -3.521 18219
8410 1 17 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.472 -1.972 18219
8411 1 17 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.206 -0.432 18219
8412 1 17 . 1 1 27 27 PHE H H 18 7.703 7.703 8.197 -0.494 18219
8413 1 17 . 1 1 28 28 GLY N N 19 107.303 107.303 105.846 1.457 18219
8414 1 17 . 1 1 28 28 GLY C C 19 171.593 171.593 173.264 -1.671 18219
8415 1 17 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.390 0.210 18219
8416 1 17 . 1 1 28 28 GLY H H 19 7.722 7.722 7.970 -0.248 18219
8417 1 17 . 1 1 29 29 TYR N N 20 119.862 119.862 119.203 0.659 18219
8418 1 17 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.679 -0.287 18219
8419 1 17 . 1 1 29 29 TYR C C 20 173.174 173.174 175.366 -2.192 18219
8420 1 17 . 1 1 29 29 TYR CA C 20 58.500 58.500 56.918 1.582 18219
8421 1 17 . 1 1 29 29 TYR CB C 20 38.404 38.404 39.566 -1.162 18219
8422 1 17 . 1 1 29 29 TYR H H 20 7.880 7.880 7.928 -0.048 18219
8423 1 17 . 1 1 30 30 LYS N N 21 122.335 122.335 124.763 -2.428 18219
8424 1 17 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.294 0.096 18219
8425 1 17 . 1 1 30 30 LYS C C 21 173.547 173.547 177.032 -3.485 18219
8426 1 17 . 1 1 30 30 LYS CA C 21 55.800 55.800 59.251 -3.451 18219
8427 1 17 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.985 -0.589 18219
8428 1 17 . 1 1 30 30 LYS H H 21 7.934 7.934 8.665 -0.731 18219
8429 1 17 . 1 1 31 31 ARG N N 22 120.612 120.612 113.702 6.910 18219
8430 1 17 . 1 1 31 31 ARG C C 22 173.547 173.547 176.079 -2.532 18219
8431 1 17 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.112 -0.278 18219
8432 1 17 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.465 -0.364 18219
8433 1 17 . 1 1 31 31 ARG H H 22 7.905 7.905 8.072 -0.167 18219
8434 1 17 . 1 1 32 32 ARG N N 23 121.748 121.748 120.755 0.993 18219
8435 1 17 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.427 -0.117 18219
8436 1 17 . 1 1 32 32 ARG C C 23 173.863 173.863 176.176 -2.313 18219
8437 1 17 . 1 1 32 32 ARG CA C 23 55.800 55.800 55.314 0.486 18219
8438 1 17 . 1 1 32 32 ARG CB C 23 30.245 30.245 31.029 -0.784 18219
8439 1 17 . 1 1 32 32 ARG H H 23 8.175 8.175 8.099 0.076 18219
8440 1 17 . 1 1 33 33 GLY N N 24 109.528 109.528 107.243 2.285 18219
8441 1 17 . 1 1 33 33 GLY C C 24 171.752 171.752 173.954 -2.202 18219
8442 1 17 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.916 -0.016 18219
8443 1 17 . 1 1 33 33 GLY H H 24 8.264 8.264 8.443 -0.179 18219
8444 1 17 . 1 1 34 34 GLY N N 25 108.563 108.563 109.699 -1.136 18219
8445 1 17 . 1 1 34 34 GLY C C 25 171.701 171.701 174.824 -3.123 18219
8446 1 17 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.810 -0.210 18219
8447 1 17 . 1 1 34 34 GLY H H 25 8.208 8.208 8.227 -0.019 18219
8448 1 17 . 1 1 35 35 VAL N N 26 121.164 121.164 120.882 0.282 18219
8449 1 17 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.932 0.078 18219
8450 1 17 . 1 1 35 35 VAL C C 26 175.888 175.888 175.726 0.162 18219
8451 1 17 . 1 1 35 35 VAL CA C 26 63.900 63.900 65.047 -1.147 18219
8452 1 17 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.470 -0.779 18219
8453 1 17 . 1 1 35 35 VAL H H 26 8.485 8.485 8.173 0.312 18219
8454 1 17 . 1 1 36 36 PRO C C 27 177.660 177.660 175.800 1.860 18219
8455 1 17 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.716 -1.869 18219
8456 1 17 . 1 1 37 37 SER N N 28 116.023 116.023 115.117 0.906 18219
8457 1 17 . 1 1 37 37 SER HA H 28 4.280 4.280 4.698 -0.418 18219
8458 1 17 . 1 1 37 37 SER CA C 28 61.100 61.100 60.097 1.003 18219
8459 1 17 . 1 1 37 37 SER H H 28 7.948 7.948 8.323 -0.375 18219
8460 1 17 . 1 1 38 38 LEU N N 29 124.029 124.029 122.063 1.966 18219
8461 1 17 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.029 0.141 18219
8462 1 17 . 1 1 38 38 LEU C C 29 176.132 176.132 178.340 -2.208 18219
8463 1 17 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.279 -0.779 18219
8464 1 17 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.940 1.098 18219
8465 1 17 . 1 1 38 38 LEU H H 29 8.201 8.201 7.488 0.713 18219
8466 1 17 . 1 1 39 39 ILE N N 30 117.098 117.098 119.443 -2.345 18219
8467 1 17 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.647 0.723 18219
8468 1 17 . 1 1 39 39 ILE C C 30 176.478 176.478 177.681 -1.203 18219
8469 1 17 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.018 -0.939 18219
8470 1 17 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.006 -0.033 18219
8471 1 17 . 1 1 39 39 ILE H H 30 7.662 7.662 8.342 -0.680 18219
8472 1 17 . 1 1 40 40 ALA N N 31 122.447 122.447 121.434 1.013 18219
8473 1 17 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.054 -0.020 18219
8474 1 17 . 1 1 40 40 ALA C C 31 177.067 177.067 179.692 -2.625 18219
8475 1 17 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.282 0.680 18219
8476 1 17 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.140 -0.284 18219
8477 1 17 . 1 1 40 40 ALA H H 31 8.096 8.096 7.320 0.776 18219
8478 1 17 . 1 1 41 41 GLY N N 32 104.056 104.056 107.571 -3.515 18219
8479 1 17 . 1 1 41 41 GLY C C 32 174.251 174.251 175.973 -1.722 18219
8480 1 17 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.936 -0.436 18219
8481 1 17 . 1 1 41 41 GLY H H 32 8.123 8.123 8.206 -0.083 18219
8482 1 17 . 1 1 42 42 LEU N N 33 123.250 123.250 123.331 -0.081 18219
8483 1 17 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.966 -0.109 18219
8484 1 17 . 1 1 42 42 LEU C C 33 176.033 176.033 178.337 -2.304 18219
8485 1 17 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.198 -1.530 18219
8486 1 17 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.846 -0.125 18219
8487 1 17 . 1 1 42 42 LEU H H 33 7.914 7.914 8.357 -0.443 18219
8488 1 17 . 1 1 43 43 PHE N N 34 119.757 119.757 118.650 1.107 18219
8489 1 17 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.015 0.185 18219
8490 1 17 . 1 1 43 43 PHE C C 34 174.374 174.374 177.540 -3.166 18219
8491 1 17 . 1 1 43 43 PHE CA C 34 59.876 59.876 61.920 -2.044 18219
8492 1 17 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.950 -0.117 18219
8493 1 17 . 1 1 43 43 PHE H H 34 8.287 8.287 8.071 0.216 18219
8494 1 17 . 1 1 44 44 VAL N N 35 117.791 117.791 118.063 -0.272 18219
8495 1 17 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.722 -0.112 18219
8496 1 17 . 1 1 44 44 VAL C C 35 176.205 176.205 178.644 -2.439 18219
8497 1 17 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.857 -2.298 18219
8498 1 17 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.024 0.408 18219
8499 1 17 . 1 1 44 44 VAL H H 35 8.235 8.235 8.415 -0.180 18219
8500 1 17 . 1 1 45 45 GLY N N 36 108.551 108.551 107.461 1.090 18219
8501 1 17 . 1 1 45 45 GLY C C 36 173.749 173.749 175.760 -2.011 18219
8502 1 17 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.124 -1.041 18219
8503 1 17 . 1 1 45 45 GLY H H 36 8.178 8.178 8.563 -0.385 18219
8504 1 17 . 1 1 46 46 CYS N N 37 121.173 121.173 122.400 -1.227 18219
8505 1 17 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.173 0.007 18219
8506 1 17 . 1 1 46 46 CYS C C 37 173.710 173.710 176.506 -2.796 18219
8507 1 17 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.468 -0.468 18219
8508 1 17 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.698 32.585 18219
8509 1 17 . 1 1 46 46 CYS H H 37 8.253 8.253 8.146 0.107 18219
8510 1 17 . 1 1 47 47 LEU N N 38 120.283 120.283 120.553 -0.270 18219
8511 1 17 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.094 -0.034 18219
8512 1 17 . 1 1 47 47 LEU C C 38 176.679 176.679 178.206 -1.527 18219
8513 1 17 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.999 -1.972 18219
8514 1 17 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.809 0.655 18219
8515 1 17 . 1 1 47 47 LEU H H 38 7.965 7.965 8.284 -0.319 18219
8516 1 17 . 1 1 48 48 ALA N N 39 122.249 122.249 122.745 -0.496 18219
8517 1 17 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.009 0.133 18219
8518 1 17 . 1 1 48 48 ALA C C 39 177.915 177.915 179.326 -1.411 18219
8519 1 17 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.447 -1.730 18219
8520 1 17 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.121 -0.136 18219
8521 1 17 . 1 1 48 48 ALA H H 39 8.066 8.066 8.071 -0.005 18219
8522 1 17 . 1 1 49 49 GLY N N 40 107.377 107.377 107.047 0.330 18219
8523 1 17 . 1 1 49 49 GLY C C 40 172.527 172.527 175.967 -3.440 18219
8524 1 17 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.854 -1.404 18219
8525 1 17 . 1 1 49 49 GLY H H 40 8.172 8.172 8.295 -0.123 18219
8526 1 17 . 1 1 50 50 TYR N N 41 122.409 122.409 122.938 -0.529 18219
8527 1 17 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.247 -0.448 18219
8528 1 17 . 1 1 50 50 TYR C C 41 174.208 174.208 177.422 -3.214 18219
8529 1 17 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.426 -1.181 18219
8530 1 17 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.609 -0.673 18219
8531 1 17 . 1 1 50 50 TYR H H 41 7.800 7.800 8.448 -0.648 18219
8532 1 17 . 1 1 51 51 GLY N N 42 106.935 106.935 107.648 -0.713 18219
8533 1 17 . 1 1 51 51 GLY C C 42 172.642 172.642 175.245 -2.603 18219
8534 1 17 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.658 0.607 18219
8535 1 17 . 1 1 51 51 GLY H H 42 8.199 8.199 7.823 0.376 18219
8536 1 17 . 1 1 52 52 ALA N N 43 123.018 123.018 123.991 -0.973 18219
8537 1 17 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.055 0.095 18219
8538 1 17 . 1 1 52 52 ALA C C 43 176.398 176.398 178.624 -2.226 18219
8539 1 17 . 1 1 52 52 ALA CA C 43 52.883 52.883 53.989 -1.106 18219
8540 1 17 . 1 1 52 52 ALA CB C 43 18.241 18.241 19.285 -1.044 18219
8541 1 17 . 1 1 52 52 ALA H H 43 7.758 7.758 7.984 -0.226 18219
8542 1 17 . 1 1 53 53 TYR N N 44 119.664 119.664 115.988 3.676 18219
8543 1 17 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.066 0.252 18219
8544 1 17 . 1 1 53 53 TYR C C 44 174.180 174.180 176.604 -2.424 18219
8545 1 17 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.805 -3.212 18219
8546 1 17 . 1 1 53 53 TYR CB C 44 38.192 38.192 37.291 0.901 18219
8547 1 17 . 1 1 53 53 TYR H H 44 7.920 7.920 8.429 -0.509 18219
8548 1 17 . 1 1 54 54 ARG N N 45 119.516 119.516 118.682 0.834 18219
8549 1 17 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.507 -0.577 18219
8550 1 17 . 1 1 54 54 ARG C C 45 174.423 174.423 175.835 -1.412 18219
8551 1 17 . 1 1 54 54 ARG CA C 45 56.027 56.027 55.644 0.383 18219
8552 1 17 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.753 -1.579 18219
8553 1 17 . 1 1 54 54 ARG H H 45 7.956 7.956 8.588 -0.632 18219
8554 1 17 . 1 1 55 55 VAL N N 46 116.437 116.437 116.046 0.391 18219
8555 1 17 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.678 0.382 18219
8556 1 17 . 1 1 55 55 VAL C C 46 173.806 173.806 174.255 -0.449 18219
8557 1 17 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.284 -0.984 18219
8558 1 17 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.518 0.003 18219
8559 1 17 . 1 1 55 55 VAL H H 46 7.489 7.489 7.323 0.166 18219
8560 1 17 . 1 1 56 56 SER N N 47 117.185 117.185 113.290 3.895 18219
8561 1 17 . 1 1 56 56 SER HA H 47 4.401 4.401 4.405 -0.004 18219
8562 1 17 . 1 1 56 56 SER C C 47 172.074 172.074 174.879 -2.805 18219
8563 1 17 . 1 1 56 56 SER CA C 47 58.133 58.133 59.491 -1.358 18219
8564 1 17 . 1 1 56 56 SER CB C 47 63.468 63.468 64.375 -0.907 18219
8565 1 17 . 1 1 56 56 SER H H 47 7.728 7.728 7.809 -0.081 18219
8566 1 17 . 1 1 57 57 ASN N N 48 121.049 121.049 118.821 2.228 18219
8567 1 17 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.387 0.203 18219
8568 1 17 . 1 1 57 57 ASN CA C 48 53.600 53.600 55.674 -2.074 18219
8569 1 17 . 1 1 57 57 ASN CB C 48 38.641 38.641 37.406 1.235 18219
8570 1 17 . 1 1 57 57 ASN H H 48 8.228 8.228 8.790 -0.562 18219
8571 1 17 . 1 1 58 58 ASP N N 49 120.276 120.276 121.646 -1.370 18219
8572 1 17 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.468 0.062 18219
8573 1 17 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.948 -0.746 18219
8574 1 17 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.275 -0.901 18219
8575 1 17 . 1 1 58 58 ASP H H 49 8.192 8.192 8.560 -0.368 18219
8576 1 17 . 1 1 59 59 LYS N N 50 120.660 120.660 115.294 5.366 18219
8577 1 17 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.823 0.377 18219
8578 1 17 . 1 1 59 59 LYS C C 50 173.474 173.474 175.802 -2.328 18219
8579 1 17 . 1 1 59 59 LYS CA C 50 56.300 56.300 58.413 -2.112 18219
8580 1 17 . 1 1 59 59 LYS CB C 50 32.034 32.034 30.581 1.452 18219
8581 1 17 . 1 1 59 59 LYS H H 50 8.003 8.003 7.970 0.033 18219
8582 1 17 . 1 1 60 60 ARG N N 51 121.278 121.278 120.136 1.142 18219
8583 1 17 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.151 0.049 18219
8584 1 17 . 1 1 60 60 ARG C C 51 173.303 173.303 175.936 -2.633 18219
8585 1 17 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.162 -0.879 18219
8586 1 17 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.642 -0.404 18219
8587 1 17 . 1 1 60 60 ARG H H 51 8.091 8.091 8.323 -0.232 18219
8588 1 17 . 1 1 61 61 ASP N N 52 121.185 121.185 119.458 1.727 18219
8589 1 17 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.698 -0.083 18219
8590 1 17 . 1 1 61 61 ASP C C 52 173.777 173.777 177.735 -3.958 18219
8591 1 17 . 1 1 61 61 ASP CA C 52 53.979 53.979 56.278 -2.299 18219
8592 1 17 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.604 -1.359 18219
8593 1 17 . 1 1 61 61 ASP H H 52 8.261 8.261 8.511 -0.250 18219
8594 1 17 . 1 1 62 62 VAL N N 53 121.902 121.902 120.817 1.085 18219
8595 1 17 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.866 0.084 18219
8596 1 17 . 1 1 62 62 VAL C C 53 173.279 173.279 177.505 -4.226 18219
8597 1 17 . 1 1 62 62 VAL CA C 53 63.176 63.176 65.416 -2.240 18219
8598 1 17 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.317 0.782 18219
8599 1 17 . 1 1 62 62 VAL H H 53 7.997 7.997 8.136 -0.139 18219
8600 1 17 . 1 1 63 63 LYS N N 54 123.522 123.522 121.053 2.469 18219
8601 1 17 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.137 0.123 18219
8602 1 17 . 1 1 63 63 LYS C C 54 174.481 174.481 178.522 -4.041 18219
8603 1 17 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.562 -3.215 18219
8604 1 17 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.207 -0.108 18219
8605 1 17 . 1 1 63 63 LYS H H 54 8.054 8.054 8.388 -0.334 18219
8606 1 17 . 1 1 64 64 VAL N N 55 120.647 120.647 119.735 0.912 18219
8607 1 17 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.819 0.128 18219
8608 1 17 . 1 1 64 64 VAL C C 55 174.955 174.955 177.832 -2.877 18219
8609 1 17 . 1 1 64 64 VAL CA C 55 64.600 64.600 64.519 0.081 18219
8610 1 17 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.886 0.991 18219
8611 1 17 . 1 1 64 64 VAL H H 55 8.225 8.225 7.581 0.644 18219
8612 1 17 . 1 1 65 65 SER N N 56 117.785 117.785 116.380 1.405 18219
8613 1 17 . 1 1 65 65 SER HA H 56 4.390 4.390 4.133 0.257 18219
8614 1 17 . 1 1 65 65 SER C C 56 172.300 172.300 176.428 -4.128 18219
8615 1 17 . 1 1 65 65 SER CA C 56 60.000 60.000 62.233 -2.232 18219
8616 1 17 . 1 1 65 65 SER CB C 56 62.879 62.879 63.056 -0.177 18219
8617 1 17 . 1 1 65 65 SER H H 56 8.260 8.260 7.713 0.547 18219
8618 1 17 . 1 1 66 66 LEU N N 57 123.318 123.318 122.395 0.923 18219
8619 1 17 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.234 -0.144 18219
8620 1 17 . 1 1 66 66 LEU C C 57 175.932 175.932 178.346 -2.414 18219
8621 1 17 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.863 -0.361 18219
8622 1 17 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.034 0.687 18219
8623 1 17 . 1 1 66 66 LEU H H 57 8.091 8.091 8.156 -0.065 18219
8624 1 17 . 1 1 67 67 PHE N N 58 118.020 118.020 119.175 -1.155 18219
8625 1 17 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.023 0.307 18219
8626 1 17 . 1 1 67 67 PHE C C 58 174.912 174.912 177.801 -2.889 18219
8627 1 17 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.719 -1.119 18219
8628 1 17 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.742 -0.190 18219
8629 1 17 . 1 1 67 67 PHE H H 58 8.066 8.066 8.500 -0.434 18219
8630 1 17 . 1 1 68 68 THR N N 59 115.324 115.324 115.968 -0.644 18219
8631 1 17 . 1 1 68 68 THR HA H 59 4.310 4.310 4.084 0.226 18219
8632 1 17 . 1 1 68 68 THR C C 59 173.380 173.380 176.375 -2.995 18219
8633 1 17 . 1 1 68 68 THR CA C 59 66.313 66.313 67.564 -1.251 18219
8634 1 17 . 1 1 68 68 THR CB C 59 67.700 67.700 69.021 -1.321 18219
8635 1 17 . 1 1 68 68 THR H H 59 8.287 8.287 8.471 -0.184 18219
8636 1 17 . 1 1 69 69 ALA N N 60 123.621 123.621 124.810 -1.189 18219
8637 1 17 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.122 0.158 18219
8638 1 17 . 1 1 69 69 ALA C C 60 176.978 176.978 179.982 -3.004 18219
8639 1 17 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.227 -0.127 18219
8640 1 17 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.246 -0.518 18219
8641 1 17 . 1 1 69 69 ALA H H 60 7.983 7.983 8.159 -0.176 18219
8642 1 17 . 1 1 70 70 PHE N N 61 118.520 118.520 118.120 0.400 18219
8643 1 17 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.233 0.027 18219
8644 1 17 . 1 1 70 70 PHE C C 61 175.369 175.369 177.385 -2.016 18219
8645 1 17 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.017 -1.838 18219
8646 1 17 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.311 -0.605 18219
8647 1 17 . 1 1 70 70 PHE H H 61 8.007 8.007 8.920 -0.913 18219
8648 1 17 . 1 1 71 71 PHE N N 62 122.314 122.314 120.287 2.027 18219
8649 1 17 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.108 -0.108 18219
8650 1 17 . 1 1 71 71 PHE C C 62 174.697 174.697 177.707 -3.010 18219
8651 1 17 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.499 -1.982 18219
8652 1 17 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.898 -0.128 18219
8653 1 17 . 1 1 71 71 PHE H H 62 8.546 8.546 8.212 0.334 18219
8654 1 17 . 1 1 72 72 LEU N N 63 119.399 119.399 119.652 -0.253 18219
8655 1 17 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.956 -0.086 18219
8656 1 17 . 1 1 72 72 LEU C C 63 175.774 175.774 178.652 -2.878 18219
8657 1 17 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.452 -1.526 18219
8658 1 17 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.584 -0.377 18219
8659 1 17 . 1 1 72 72 LEU H H 63 8.396 8.396 8.848 -0.452 18219
8660 1 17 . 1 1 73 73 ALA N N 64 120.221 120.221 121.021 -0.800 18219
8661 1 17 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.912 0.048 18219
8662 1 17 . 1 1 73 73 ALA C C 64 177.267 177.267 179.599 -2.332 18219
8663 1 17 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.480 -0.880 18219
8664 1 17 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.905 -0.121 18219
8665 1 17 . 1 1 73 73 ALA H H 64 8.025 8.025 8.059 -0.034 18219
8666 1 17 . 1 1 74 74 THR N N 65 113.648 113.648 113.072 0.576 18219
8667 1 17 . 1 1 74 74 THR HA H 65 3.980 3.980 3.949 0.031 18219
8668 1 17 . 1 1 74 74 THR CA C 65 66.291 66.291 64.941 1.350 18219
8669 1 17 . 1 1 74 74 THR CB C 65 67.914 67.914 68.565 -0.651 18219
8670 1 17 . 1 1 74 74 THR H H 65 7.717 7.717 7.677 0.040 18219
8671 1 17 . 1 1 75 75 ILE N N 66 120.291 120.291 120.567 -0.276 18219
8672 1 17 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.726 0.014 18219
8673 1 17 . 1 1 75 75 ILE C C 66 174.951 174.951 177.380 -2.429 18219
8674 1 17 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.676 1.204 18219
8675 1 17 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.311 -1.145 18219
8676 1 17 . 1 1 75 75 ILE H H 66 7.738 7.738 7.946 -0.208 18219
8677 1 17 . 1 1 76 76 MET N N 67 117.618 117.618 117.762 -0.144 18219
8678 1 17 . 1 1 76 76 MET HA H 67 4.220 4.220 4.257 -0.037 18219
8679 1 17 . 1 1 76 76 MET C C 67 175.142 175.142 177.120 -1.978 18219
8680 1 17 . 1 1 76 76 MET CA C 67 56.723 56.723 57.998 -1.275 18219
8681 1 17 . 1 1 76 76 MET CB C 67 31.951 31.951 33.456 -1.505 18219
8682 1 17 . 1 1 76 76 MET H H 67 7.823 7.823 8.316 -0.493 18219
8683 1 17 . 1 1 77 77 GLY N N 68 107.110 107.110 103.589 3.521 18219
8684 1 17 . 1 1 77 77 GLY C C 68 172.260 172.260 174.338 -2.078 18219
8685 1 17 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.807 0.993 18219
8686 1 17 . 1 1 77 77 GLY H H 68 7.937 7.937 8.055 -0.118 18219
8687 1 17 . 1 1 78 78 VAL N N 69 120.431 120.431 120.246 0.185 18219
8688 1 17 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.764 0.456 18219
8689 1 17 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.984 -1.084 18219
8690 1 17 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.970 -0.464 18219
8691 1 17 . 1 1 78 78 VAL H H 69 7.697 7.697 7.317 0.380 18219
8692 1 17 . 1 1 79 79 ARG N N 70 121.420 121.420 118.269 3.151 18219
8693 1 17 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.092 -0.282 18219
8694 1 17 . 1 1 79 79 ARG CA C 70 56.400 56.400 58.068 -1.668 18219
8695 1 17 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.615 -0.518 18219
8696 1 17 . 1 1 79 79 ARG H H 70 7.889 7.889 7.874 0.015 18219
8697 1 17 . 1 1 80 80 PHE N N 71 119.949 119.949 120.192 -0.243 18219
8698 1 17 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.416 0.094 18219
8699 1 17 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.857 -0.257 18219
8700 1 17 . 1 1 80 80 PHE CB C 71 39.145 39.145 38.906 0.239 18219
8701 1 17 . 1 1 80 80 PHE H H 71 8.101 8.101 8.216 -0.115 18219
8702 1 17 . 1 1 81 81 LYS N N 72 122.193 122.193 125.160 -2.967 18219
8703 1 17 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.827 0.973 18219
8704 1 17 . 1 1 81 81 LYS CB C 72 32.322 32.322 35.083 -2.761 18219
8705 1 17 . 1 1 81 81 LYS H H 72 8.090 8.090 7.896 0.194 18219
8706 1 17 . 1 1 82 82 ARG N N 73 119.650 119.650 121.985 -2.335 18219
8707 1 17 . 1 1 82 82 ARG CA C 73 56.089 56.089 55.502 0.587 18219
8708 1 17 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.050 0.121 18219
8709 1 17 . 1 1 82 82 ARG H H 73 8.052 8.052 8.528 -0.476 18219
8710 1 17 . 1 1 83 83 SER N N 74 115.734 115.734 117.288 -1.554 18219
8711 1 17 . 1 1 83 83 SER CA C 74 58.355 58.355 58.484 -0.129 18219
8712 1 17 . 1 1 83 83 SER CB C 74 63.404 63.404 63.181 0.223 18219
8713 1 17 . 1 1 83 83 SER H H 74 7.912 7.912 8.646 -0.734 18219
8714 1 17 . 1 1 84 84 LYS N N 75 122.370 122.370 124.440 -2.070 18219
8715 1 17 . 1 1 84 84 LYS CA C 75 56.135 56.135 57.004 -0.869 18219
8716 1 17 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.560 -1.385 18219
8717 1 17 . 1 1 84 84 LYS H H 75 8.067 8.067 8.197 -0.130 18219
8718 1 17 . 1 1 86 86 ILE N N 77 119.592 119.592 117.144 2.448 18219
8719 1 17 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.087 -0.277 18219
8720 1 17 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.707 2.193 18219
8721 1 17 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.688 0.457 18219
8722 1 17 . 1 1 86 86 ILE H H 77 7.837 7.837 7.725 0.112 18219
8723 1 17 . 1 1 87 87 MET N N 78 121.645 121.645 117.375 4.270 18219
8724 1 17 . 1 1 87 87 MET CA C 78 52.982 52.982 59.100 -6.118 18219
8725 1 17 . 1 1 87 87 MET CB C 78 32.173 32.173 31.718 0.455 18219
8726 1 17 . 1 1 87 87 MET H H 78 7.950 7.950 7.957 -0.007 18219
8727 1 17 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.392 -0.252 18219
8728 1 17 . 1 1 88 88 PRO C C 79 173.921 173.921 177.018 -3.097 18219
8729 1 17 . 1 1 88 88 PRO CA C 79 62.800 62.800 63.336 -0.536 18219
8730 1 17 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.935 -0.799 18219
8731 1 17 . 1 1 89 89 ALA N N 80 124.431 124.431 118.881 5.550 18219
8732 1 17 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.077 0.323 18219
8733 1 17 . 1 1 89 89 ALA C C 80 176.234 176.234 179.607 -3.373 18219
8734 1 17 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.422 -1.122 18219
8735 1 17 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.280 1.218 18219
8736 1 17 . 1 1 89 89 ALA H H 80 8.320 8.320 8.579 -0.259 18219
8737 1 17 . 1 1 90 90 GLY N N 81 106.834 106.834 107.094 -0.260 18219
8738 1 17 . 1 1 90 90 GLY C C 81 172.398 172.398 176.043 -3.645 18219
8739 1 17 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.036 -1.436 18219
8740 1 17 . 1 1 90 90 GLY H H 81 8.458 8.458 8.158 0.300 18219
8741 1 17 . 1 1 91 91 LEU N N 82 121.043 121.043 120.876 0.167 18219
8742 1 17 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.093 0.106 18219
8743 1 17 . 1 1 91 91 LEU C C 82 174.783 174.783 178.697 -3.914 18219
8744 1 17 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.220 -1.920 18219
8745 1 17 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.059 1.047 18219
8746 1 17 . 1 1 91 91 LEU H H 82 7.687 7.687 7.959 -0.272 18219
8747 1 17 . 1 1 92 92 VAL N N 83 114.737 114.737 116.827 -2.090 18219
8748 1 17 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.698 0.282 18219
8749 1 17 . 1 1 92 92 VAL C C 83 173.634 173.634 177.969 -4.335 18219
8750 1 17 . 1 1 92 92 VAL CA C 83 62.400 62.400 64.986 -2.586 18219
8751 1 17 . 1 1 92 92 VAL CB C 83 31.585 31.585 29.990 1.595 18219
8752 1 17 . 1 1 92 92 VAL H H 83 7.602 7.602 7.965 -0.363 18219
8753 1 17 . 1 1 93 93 ALA N N 84 124.320 124.320 121.619 2.701 18219
8754 1 17 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.095 0.055 18219
8755 1 17 . 1 1 93 93 ALA C C 84 175.746 175.746 179.805 -4.059 18219
8756 1 17 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.362 -2.062 18219
8757 1 17 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.980 0.261 18219
8758 1 17 . 1 1 93 93 ALA H H 84 7.891 7.891 8.431 -0.540 18219
8759 1 17 . 1 1 94 94 GLY N N 85 106.807 106.807 107.595 -0.788 18219
8760 1 17 . 1 1 94 94 GLY C C 85 171.752 171.752 175.993 -4.241 18219
8761 1 17 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.609 -1.360 18219
8762 1 17 . 1 1 94 94 GLY H H 85 8.204 8.204 8.165 0.039 18219
8763 1 17 . 1 1 95 95 LEU N N 86 121.266 121.266 122.273 -1.007 18219
8764 1 17 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.187 0.193 18219
8765 1 17 . 1 1 95 95 LEU C C 86 173.702 173.702 179.626 -5.924 18219
8766 1 17 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.596 -2.596 18219
8767 1 17 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.322 0.976 18219
8768 1 17 . 1 1 95 95 LEU H H 86 7.718 7.718 8.045 -0.327 18219
8769 1 17 . 1 1 96 96 SER N N 87 115.658 115.658 115.888 -0.230 18219
8770 1 17 . 1 1 96 96 SER HA H 87 4.370 4.370 4.187 0.183 18219
8771 1 17 . 1 1 96 96 SER C C 87 172.479 172.479 176.748 -4.269 18219
8772 1 17 . 1 1 96 96 SER CA C 87 57.200 57.200 61.693 -4.493 18219
8773 1 17 . 1 1 96 96 SER CB C 87 64.174 64.174 62.733 1.441 18219
8774 1 17 . 1 1 96 96 SER H H 87 7.659 7.659 8.294 -0.635 18219
8775 1 17 . 1 1 97 97 LEU N N 88 123.720 123.720 122.573 1.147 18219
8776 1 17 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.020 0.580 18219
8777 1 17 . 1 1 97 97 LEU C C 88 175.932 175.932 178.675 -2.743 18219
8778 1 17 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.677 -0.077 18219
8779 1 17 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.980 -0.580 18219
8780 1 17 . 1 1 97 97 LEU H H 88 8.733 8.733 8.035 0.698 18219
8781 1 17 . 1 1 98 98 MET N N 89 116.684 116.684 119.894 -3.210 18219
8782 1 17 . 1 1 98 98 MET HA H 89 4.280 4.280 4.119 0.161 18219
8783 1 17 . 1 1 98 98 MET C C 89 175.789 175.789 178.055 -2.266 18219
8784 1 17 . 1 1 98 98 MET CA C 89 56.915 56.915 58.837 -1.921 18219
8785 1 17 . 1 1 98 98 MET CB C 89 31.007 31.007 32.672 -1.665 18219
8786 1 17 . 1 1 98 98 MET H H 89 8.342 8.342 8.139 0.203 18219
8787 1 17 . 1 1 99 99 MET N N 90 119.182 119.182 117.955 1.227 18219
8788 1 17 . 1 1 99 99 MET HA H 90 4.110 4.110 4.101 0.009 18219
8789 1 17 . 1 1 99 99 MET C C 90 175.588 175.588 178.803 -3.215 18219
8790 1 17 . 1 1 99 99 MET CA C 90 57.951 57.951 58.898 -0.947 18219
8791 1 17 . 1 1 99 99 MET CB C 90 32.226 32.226 31.957 0.269 18219
8792 1 17 . 1 1 99 99 MET H H 90 7.720 7.720 8.175 -0.455 18219
8793 1 17 . 1 1 100 100 ILE N N 91 119.077 119.077 120.599 -1.522 18219
8794 1 17 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.789 0.321 18219
8795 1 17 . 1 1 100 100 ILE C C 91 174.634 174.634 177.753 -3.119 18219
8796 1 17 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.963 -0.863 18219
8797 1 17 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.028 -0.885 18219
8798 1 17 . 1 1 100 100 ILE H H 91 7.662 7.662 8.299 -0.637 18219
8799 1 17 . 1 1 101 101 LEU N N 92 119.646 119.646 121.065 -1.419 18219
8800 1 17 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.931 0.599 18219
8801 1 17 . 1 1 101 101 LEU C C 92 175.430 175.430 178.674 -3.244 18219
8802 1 17 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.149 -0.349 18219
8803 1 17 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.734 -0.976 18219
8804 1 17 . 1 1 101 101 LEU H H 92 8.142 8.142 7.833 0.309 18219
8805 1 17 . 1 1 102 102 ARG N N 93 116.394 116.394 118.964 -2.570 18219
8806 1 17 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.192 -0.052 18219
8807 1 17 . 1 1 102 102 ARG C C 93 175.961 175.961 178.759 -2.798 18219
8808 1 17 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.296 0.804 18219
8809 1 17 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.056 -0.652 18219
8810 1 17 . 1 1 102 102 ARG H H 93 7.893 7.893 8.149 -0.256 18219
8811 1 17 . 1 1 103 103 LEU N N 94 119.114 119.114 121.039 -1.925 18219
8812 1 17 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.115 -0.005 18219
8813 1 17 . 1 1 103 103 LEU C C 94 175.889 175.889 178.330 -2.441 18219
8814 1 17 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.853 -0.553 18219
8815 1 17 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.973 -0.677 18219
8816 1 17 . 1 1 103 103 LEU H H 94 7.622 7.622 7.875 -0.253 18219
8817 1 17 . 1 1 104 104 VAL N N 95 117.704 117.704 119.707 -2.003 18219
8818 1 17 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.764 -0.234 18219
8819 1 17 . 1 1 104 104 VAL C C 95 175.042 175.042 177.454 -2.412 18219
8820 1 17 . 1 1 104 104 VAL CA C 95 66.419 66.419 64.980 1.439 18219
8821 1 17 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.829 -0.472 18219
8822 1 17 . 1 1 104 104 VAL H H 95 8.026 8.026 8.105 -0.079 18219
8823 1 17 . 1 1 105 105 LEU N N 96 117.185 117.185 118.400 -1.215 18219
8824 1 17 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.148 -0.168 18219
8825 1 17 . 1 1 105 105 LEU C C 96 176.579 176.579 177.826 -1.247 18219
8826 1 17 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.748 0.052 18219
8827 1 17 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.457 -1.506 18219
8828 1 17 . 1 1 105 105 LEU H H 96 7.893 7.893 7.531 0.362 18219
8829 1 17 . 1 1 106 106 LEU N N 97 118.471 118.471 118.376 0.095 18219
8830 1 17 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.964 0.216 18219
8831 1 17 . 1 1 106 106 LEU C C 97 175.802 175.802 176.009 -0.207 18219
8832 1 17 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.126 1.174 18219
8833 1 17 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.473 1.119 18219
8834 1 17 . 1 1 106 106 LEU H H 97 7.545 7.545 8.104 -0.559 18219
8835 1 17 . 1 1 107 107 LEU N N 98 118.162 118.162 113.838 4.324 18219
8836 1 17 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.873 0.357 18219
8837 1 17 . 1 1 107 107 LEU C C 98 174.174 174.174 177.445 -3.271 18219
8838 1 17 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.887 0.396 18219
8839 1 17 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.766 2.596 18219
8840 1 17 . 1 1 107 107 LEU H H 98 7.688 7.688 8.221 -0.533 18219
8841 1 18 . 1 1 11 11 ASP N N 2 120.536 120.536 122.065 -1.529 18219
8842 1 18 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.635 2.283 18219
8843 1 18 . 1 1 11 11 ASP CB C 2 37.959 37.959 43.357 -5.398 18219
8844 1 18 . 1 1 11 11 ASP H H 2 7.863 7.863 8.204 -0.341 18219
8845 1 18 . 1 1 12 12 LEU N N 3 121.414 121.414 122.347 -0.933 18219
8846 1 18 . 1 1 12 12 LEU C C 3 176.162 176.162 178.835 -2.673 18219
8847 1 18 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.851 0.749 18219
8848 1 18 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.334 -0.677 18219
8849 1 18 . 1 1 12 12 LEU H H 3 8.285 8.285 8.568 -0.283 18219
8850 1 18 . 1 1 13 13 ILE N N 4 118.854 118.854 117.243 1.611 18219
8851 1 18 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.800 -0.060 18219
8852 1 18 . 1 1 13 13 ILE C C 4 175.228 175.228 178.130 -2.902 18219
8853 1 18 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.431 1.069 18219
8854 1 18 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.280 -1.178 18219
8855 1 18 . 1 1 13 13 ILE H H 4 8.031 8.031 8.072 -0.041 18219
8856 1 18 . 1 1 14 14 GLY N N 5 107.478 107.478 105.939 1.539 18219
8857 1 18 . 1 1 14 14 GLY C C 5 174.424 174.424 175.744 -1.320 18219
8858 1 18 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.548 0.511 18219
8859 1 18 . 1 1 14 14 GLY H H 5 8.148 8.148 8.418 -0.270 18219
8860 1 18 . 1 1 15 15 PHE N N 6 122.774 122.774 123.719 -0.945 18219
8861 1 18 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.350 0.130 18219
8862 1 18 . 1 1 15 15 PHE C C 6 175.113 175.113 176.953 -1.840 18219
8863 1 18 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.596 -1.579 18219
8864 1 18 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.395 0.379 18219
8865 1 18 . 1 1 15 15 PHE H H 6 8.194 8.194 7.900 0.294 18219
8866 1 18 . 1 1 16 16 GLY N N 7 107.938 107.938 106.680 1.258 18219
8867 1 18 . 1 1 16 16 GLY C C 7 171.838 171.838 175.748 -3.910 18219
8868 1 18 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.653 -0.553 18219
8869 1 18 . 1 1 16 16 GLY H H 7 8.697 8.697 8.734 -0.037 18219
8870 1 18 . 1 1 17 17 TYR N N 8 121.785 121.785 123.459 -1.674 18219
8871 1 18 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.148 0.002 18219
8872 1 18 . 1 1 17 17 TYR C C 8 174.180 174.180 177.674 -3.494 18219
8873 1 18 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.294 0.006 18219
8874 1 18 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.406 -0.447 18219
8875 1 18 . 1 1 17 17 TYR H H 8 8.710 8.710 8.258 0.452 18219
8876 1 18 . 1 1 18 18 ALA N N 9 120.233 120.233 120.892 -0.659 18219
8877 1 18 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.988 -0.038 18219
8878 1 18 . 1 1 18 18 ALA C C 9 178.059 178.059 178.924 -0.865 18219
8879 1 18 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.595 0.277 18219
8880 1 18 . 1 1 18 18 ALA CB C 9 17.562 17.562 18.206 -0.644 18219
8881 1 18 . 1 1 18 18 ALA H H 9 7.843 7.843 8.276 -0.433 18219
8882 1 18 . 1 1 19 19 ALA N N 10 121.797 121.797 122.910 -1.113 18219
8883 1 18 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.966 -0.016 18219
8884 1 18 . 1 1 19 19 ALA C C 10 176.191 176.191 179.517 -3.326 18219
8885 1 18 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.995 -0.395 18219
8886 1 18 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.360 -0.798 18219
8887 1 18 . 1 1 19 19 ALA H H 10 8.212 8.212 8.403 -0.191 18219
8888 1 18 . 1 1 20 20 LEU N N 11 119.442 119.442 117.431 2.011 18219
8889 1 18 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.123 -0.186 18219
8890 1 18 . 1 1 20 20 LEU C C 11 176.694 176.694 178.825 -2.131 18219
8891 1 18 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.026 -0.226 18219
8892 1 18 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.112 0.110 18219
8893 1 18 . 1 1 20 20 LEU H H 11 8.065 8.065 8.457 -0.392 18219
8894 1 18 . 1 1 21 21 VAL N N 12 118.323 118.323 120.414 -2.091 18219
8895 1 18 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.503 0.137 18219
8896 1 18 . 1 1 21 21 VAL C C 12 176.536 176.536 178.507 -1.971 18219
8897 1 18 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.028 -1.629 18219
8898 1 18 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.857 0.278 18219
8899 1 18 . 1 1 21 21 VAL H H 12 8.051 8.051 8.207 -0.156 18219
8900 1 18 . 1 1 22 22 THR N N 13 118.298 118.298 116.381 1.917 18219
8901 1 18 . 1 1 22 22 THR HA H 13 4.660 4.660 4.033 0.627 18219
8902 1 18 . 1 1 22 22 THR C C 13 173.734 173.734 176.548 -2.814 18219
8903 1 18 . 1 1 22 22 THR CA C 13 66.300 66.300 66.820 -0.520 18219
8904 1 18 . 1 1 22 22 THR CB C 13 67.775 67.775 68.483 -0.707 18219
8905 1 18 . 1 1 22 22 THR H H 13 7.944 7.944 8.200 -0.256 18219
8906 1 18 . 1 1 23 23 PHE N N 14 121.328 121.328 122.664 -1.336 18219
8907 1 18 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.289 0.051 18219
8908 1 18 . 1 1 23 23 PHE C C 14 174.783 174.783 177.547 -2.764 18219
8909 1 18 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.090 -0.590 18219
8910 1 18 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.808 -0.182 18219
8911 1 18 . 1 1 23 23 PHE H H 14 8.567 8.567 8.438 0.129 18219
8912 1 18 . 1 1 24 24 GLY N N 15 106.871 106.871 105.798 1.073 18219
8913 1 18 . 1 1 24 24 GLY C C 15 172.858 172.858 176.669 -3.811 18219
8914 1 18 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.481 -0.581 18219
8915 1 18 . 1 1 24 24 GLY H H 15 8.475 8.475 9.058 -0.583 18219
8916 1 18 . 1 1 25 25 SER N N 16 116.214 116.214 118.092 -1.878 18219
8917 1 18 . 1 1 25 25 SER HA H 16 4.280 4.280 4.280 -0.000 18219
8918 1 18 . 1 1 25 25 SER CA C 16 60.300 60.300 61.668 -1.368 18219
8919 1 18 . 1 1 25 25 SER CB C 16 62.879 62.879 63.358 -0.479 18219
8920 1 18 . 1 1 25 25 SER H H 16 7.963 7.963 8.034 -0.071 18219
8921 1 18 . 1 1 26 26 ILE N N 17 121.024 121.024 121.985 -0.961 18219
8922 1 18 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.714 0.232 18219
8923 1 18 . 1 1 26 26 ILE C C 17 173.935 173.935 178.094 -4.159 18219
8924 1 18 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.578 -1.478 18219
8925 1 18 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.164 -0.057 18219
8926 1 18 . 1 1 26 26 ILE H H 17 7.676 7.676 8.104 -0.428 18219
8927 1 18 . 1 1 27 27 PHE N N 18 117.142 117.142 118.331 -1.189 18219
8928 1 18 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.103 0.327 18219
8929 1 18 . 1 1 27 27 PHE C C 18 173.504 173.504 176.690 -3.186 18219
8930 1 18 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.565 -2.065 18219
8931 1 18 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.560 -0.786 18219
8932 1 18 . 1 1 27 27 PHE H H 18 7.703 7.703 8.383 -0.680 18219
8933 1 18 . 1 1 28 28 GLY N N 19 107.303 107.303 105.855 1.448 18219
8934 1 18 . 1 1 28 28 GLY C C 19 171.593 171.593 173.706 -2.113 18219
8935 1 18 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.099 0.501 18219
8936 1 18 . 1 1 28 28 GLY H H 19 7.722 7.722 8.140 -0.418 18219
8937 1 18 . 1 1 29 29 TYR N N 20 119.862 119.862 120.258 -0.396 18219
8938 1 18 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.116 0.276 18219
8939 1 18 . 1 1 29 29 TYR C C 20 173.174 173.174 175.357 -2.183 18219
8940 1 18 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.035 0.465 18219
8941 1 18 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.522 0.882 18219
8942 1 18 . 1 1 29 29 TYR H H 20 7.880 7.880 8.149 -0.269 18219
8943 1 18 . 1 1 30 30 LYS N N 21 122.335 122.335 123.735 -1.400 18219
8944 1 18 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.110 0.280 18219
8945 1 18 . 1 1 30 30 LYS C C 21 173.547 173.547 176.356 -2.809 18219
8946 1 18 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.527 -1.727 18219
8947 1 18 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.379 0.017 18219
8948 1 18 . 1 1 30 30 LYS H H 21 7.934 7.934 8.460 -0.526 18219
8949 1 18 . 1 1 31 31 ARG N N 22 120.612 120.612 123.297 -2.685 18219
8950 1 18 . 1 1 31 31 ARG C C 22 173.547 173.547 175.614 -2.067 18219
8951 1 18 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.585 0.249 18219
8952 1 18 . 1 1 31 31 ARG CB C 22 30.101 30.101 31.857 -1.756 18219
8953 1 18 . 1 1 31 31 ARG H H 22 7.905 7.905 8.557 -0.652 18219
8954 1 18 . 1 1 32 32 ARG N N 23 121.748 121.748 122.326 -0.578 18219
8955 1 18 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.403 -0.093 18219
8956 1 18 . 1 1 32 32 ARG C C 23 173.863 173.863 176.368 -2.505 18219
8957 1 18 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.152 -0.352 18219
8958 1 18 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.827 -0.582 18219
8959 1 18 . 1 1 32 32 ARG H H 23 8.175 8.175 8.594 -0.419 18219
8960 1 18 . 1 1 33 33 GLY N N 24 109.528 109.528 108.454 1.074 18219
8961 1 18 . 1 1 33 33 GLY C C 24 171.752 171.752 173.597 -1.845 18219
8962 1 18 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.999 -0.099 18219
8963 1 18 . 1 1 33 33 GLY H H 24 8.264 8.264 8.242 0.022 18219
8964 1 18 . 1 1 34 34 GLY N N 25 108.563 108.563 107.803 0.760 18219
8965 1 18 . 1 1 34 34 GLY C C 25 171.701 171.701 174.263 -2.562 18219
8966 1 18 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.309 0.291 18219
8967 1 18 . 1 1 34 34 GLY H H 25 8.208 8.208 7.660 0.548 18219
8968 1 18 . 1 1 35 35 VAL N N 26 121.164 121.164 124.242 -3.078 18219
8969 1 18 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.970 0.040 18219
8970 1 18 . 1 1 35 35 VAL C C 26 175.888 175.888 175.253 0.635 18219
8971 1 18 . 1 1 35 35 VAL CA C 26 63.900 63.900 65.768 -1.868 18219
8972 1 18 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.484 -0.794 18219
8973 1 18 . 1 1 35 35 VAL H H 26 8.485 8.485 8.393 0.092 18219
8974 1 18 . 1 1 36 36 PRO C C 27 177.660 177.660 178.036 -0.376 18219
8975 1 18 . 1 1 36 36 PRO CA C 27 61.847 61.847 64.721 -2.874 18219
8976 1 18 . 1 1 37 37 SER N N 28 116.023 116.023 116.459 -0.436 18219
8977 1 18 . 1 1 37 37 SER HA H 28 4.280 4.280 4.398 -0.118 18219
8978 1 18 . 1 1 37 37 SER CA C 28 61.100 61.100 61.070 0.030 18219
8979 1 18 . 1 1 37 37 SER H H 28 7.948 7.948 7.864 0.084 18219
8980 1 18 . 1 1 38 38 LEU N N 29 124.029 124.029 121.239 2.790 18219
8981 1 18 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.948 0.222 18219
8982 1 18 . 1 1 38 38 LEU C C 29 176.132 176.132 178.690 -2.558 18219
8983 1 18 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.240 -0.740 18219
8984 1 18 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.782 1.256 18219
8985 1 18 . 1 1 38 38 LEU H H 29 8.201 8.201 7.277 0.924 18219
8986 1 18 . 1 1 39 39 ILE N N 30 117.098 117.098 119.463 -2.365 18219
8987 1 18 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.651 0.719 18219
8988 1 18 . 1 1 39 39 ILE C C 30 176.478 176.478 177.309 -0.831 18219
8989 1 18 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.474 -0.395 18219
8990 1 18 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.220 -0.247 18219
8991 1 18 . 1 1 39 39 ILE H H 30 7.662 7.662 7.575 0.087 18219
8992 1 18 . 1 1 40 40 ALA N N 31 122.447 122.447 121.564 0.883 18219
8993 1 18 . 1 1 40 40 ALA HA H 31 4.034 4.034 3.973 0.061 18219
8994 1 18 . 1 1 40 40 ALA C C 31 177.067 177.067 179.769 -2.702 18219
8995 1 18 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.584 0.378 18219
8996 1 18 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.699 0.157 18219
8997 1 18 . 1 1 40 40 ALA H H 31 8.096 8.096 8.108 -0.012 18219
8998 1 18 . 1 1 41 41 GLY N N 32 104.056 104.056 107.550 -3.494 18219
8999 1 18 . 1 1 41 41 GLY C C 32 174.251 174.251 175.943 -1.692 18219
9000 1 18 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.951 -0.451 18219
9001 1 18 . 1 1 41 41 GLY H H 32 8.123 8.123 8.059 0.064 18219
9002 1 18 . 1 1 42 42 LEU N N 33 123.250 123.250 123.144 0.106 18219
9003 1 18 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.975 -0.118 18219
9004 1 18 . 1 1 42 42 LEU C C 33 176.033 176.033 178.515 -2.482 18219
9005 1 18 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.033 -1.365 18219
9006 1 18 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.989 -0.268 18219
9007 1 18 . 1 1 42 42 LEU H H 33 7.914 7.914 8.198 -0.284 18219
9008 1 18 . 1 1 43 43 PHE N N 34 119.757 119.757 119.118 0.639 18219
9009 1 18 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.055 0.145 18219
9010 1 18 . 1 1 43 43 PHE C C 34 174.374 174.374 177.477 -3.103 18219
9011 1 18 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.106 -2.231 18219
9012 1 18 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.705 0.129 18219
9013 1 18 . 1 1 43 43 PHE H H 34 8.287 8.287 8.396 -0.109 18219
9014 1 18 . 1 1 44 44 VAL N N 35 117.791 117.791 118.841 -1.050 18219
9015 1 18 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.612 -0.002 18219
9016 1 18 . 1 1 44 44 VAL C C 35 176.205 176.205 178.671 -2.466 18219
9017 1 18 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.437 -1.878 18219
9018 1 18 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.217 0.215 18219
9019 1 18 . 1 1 44 44 VAL H H 35 8.235 8.235 8.456 -0.221 18219
9020 1 18 . 1 1 45 45 GLY N N 36 108.551 108.551 106.471 2.080 18219
9021 1 18 . 1 1 45 45 GLY C C 36 173.749 173.749 175.720 -1.971 18219
9022 1 18 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.138 -1.055 18219
9023 1 18 . 1 1 45 45 GLY H H 36 8.178 8.178 8.248 -0.070 18219
9024 1 18 . 1 1 46 46 CYS N N 37 121.173 121.173 122.195 -1.022 18219
9025 1 18 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.037 0.143 18219
9026 1 18 . 1 1 46 46 CYS C C 37 173.710 173.710 176.448 -2.738 18219
9027 1 18 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.738 -0.738 18219
9028 1 18 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.756 32.527 18219
9029 1 18 . 1 1 46 46 CYS H H 37 8.253 8.253 8.007 0.246 18219
9030 1 18 . 1 1 47 47 LEU N N 38 120.283 120.283 119.591 0.692 18219
9031 1 18 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.053 0.007 18219
9032 1 18 . 1 1 47 47 LEU C C 38 176.679 176.679 177.960 -1.281 18219
9033 1 18 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.041 -2.014 18219
9034 1 18 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.031 0.434 18219
9035 1 18 . 1 1 47 47 LEU H H 38 7.965 7.965 8.187 -0.222 18219
9036 1 18 . 1 1 48 48 ALA N N 39 122.249 122.249 121.869 0.380 18219
9037 1 18 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.932 0.210 18219
9038 1 18 . 1 1 48 48 ALA C C 39 177.915 177.915 179.550 -1.635 18219
9039 1 18 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.225 -1.508 18219
9040 1 18 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.076 -0.091 18219
9041 1 18 . 1 1 48 48 ALA H H 39 8.066 8.066 7.852 0.214 18219
9042 1 18 . 1 1 49 49 GLY N N 40 107.377 107.377 107.256 0.121 18219
9043 1 18 . 1 1 49 49 GLY C C 40 172.527 172.527 175.497 -2.970 18219
9044 1 18 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.521 -1.071 18219
9045 1 18 . 1 1 49 49 GLY H H 40 8.172 8.172 8.163 0.009 18219
9046 1 18 . 1 1 50 50 TYR N N 41 122.409 122.409 123.624 -1.215 18219
9047 1 18 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.096 -0.297 18219
9048 1 18 . 1 1 50 50 TYR C C 41 174.208 174.208 177.079 -2.871 18219
9049 1 18 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.964 -1.719 18219
9050 1 18 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.433 -0.497 18219
9051 1 18 . 1 1 50 50 TYR H H 41 7.800 7.800 8.420 -0.620 18219
9052 1 18 . 1 1 51 51 GLY N N 42 106.935 106.935 105.067 1.868 18219
9053 1 18 . 1 1 51 51 GLY C C 42 172.642 172.642 175.317 -2.675 18219
9054 1 18 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.562 0.703 18219
9055 1 18 . 1 1 51 51 GLY H H 42 8.199 8.199 7.958 0.241 18219
9056 1 18 . 1 1 52 52 ALA N N 43 123.018 123.018 125.850 -2.832 18219
9057 1 18 . 1 1 52 52 ALA HA H 43 4.150 4.150 3.958 0.192 18219
9058 1 18 . 1 1 52 52 ALA C C 43 176.398 176.398 179.217 -2.819 18219
9059 1 18 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.672 -1.789 18219
9060 1 18 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.093 0.148 18219
9061 1 18 . 1 1 52 52 ALA H H 43 7.758 7.758 7.849 -0.091 18219
9062 1 18 . 1 1 53 53 TYR N N 44 119.664 119.664 118.004 1.660 18219
9063 1 18 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.093 0.225 18219
9064 1 18 . 1 1 53 53 TYR C C 44 174.180 174.180 177.012 -2.832 18219
9065 1 18 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.619 -3.026 18219
9066 1 18 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.393 -0.201 18219
9067 1 18 . 1 1 53 53 TYR H H 44 7.920 7.920 7.939 -0.019 18219
9068 1 18 . 1 1 54 54 ARG N N 45 119.516 119.516 116.295 3.221 18219
9069 1 18 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.343 -0.413 18219
9070 1 18 . 1 1 54 54 ARG C C 45 174.423 174.423 177.160 -2.737 18219
9071 1 18 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.555 -0.528 18219
9072 1 18 . 1 1 54 54 ARG CB C 45 30.173 30.173 32.036 -1.863 18219
9073 1 18 . 1 1 54 54 ARG H H 45 7.956 7.956 8.180 -0.224 18219
9074 1 18 . 1 1 55 55 VAL N N 46 116.437 116.437 120.579 -4.142 18219
9075 1 18 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.994 0.066 18219
9076 1 18 . 1 1 55 55 VAL C C 46 173.806 173.806 175.296 -1.490 18219
9077 1 18 . 1 1 55 55 VAL CA C 46 62.300 62.300 62.375 -0.075 18219
9078 1 18 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.400 0.121 18219
9079 1 18 . 1 1 55 55 VAL H H 46 7.489 7.489 8.538 -1.049 18219
9080 1 18 . 1 1 56 56 SER N N 47 117.185 117.185 116.030 1.155 18219
9081 1 18 . 1 1 56 56 SER HA H 47 4.401 4.401 4.027 0.374 18219
9082 1 18 . 1 1 56 56 SER C C 47 172.074 172.074 175.537 -3.463 18219
9083 1 18 . 1 1 56 56 SER CA C 47 58.133 58.133 60.540 -2.407 18219
9084 1 18 . 1 1 56 56 SER CB C 47 63.468 63.468 63.577 -0.109 18219
9085 1 18 . 1 1 56 56 SER H H 47 7.728 7.728 7.715 0.013 18219
9086 1 18 . 1 1 57 57 ASN N N 48 121.049 121.049 119.706 1.343 18219
9087 1 18 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.445 0.145 18219
9088 1 18 . 1 1 57 57 ASN CA C 48 53.600 53.600 55.538 -1.938 18219
9089 1 18 . 1 1 57 57 ASN CB C 48 38.641 38.641 36.872 1.769 18219
9090 1 18 . 1 1 57 57 ASN H H 48 8.228 8.228 8.829 -0.601 18219
9091 1 18 . 1 1 58 58 ASP N N 49 120.276 120.276 121.162 -0.886 18219
9092 1 18 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.507 0.023 18219
9093 1 18 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.263 -1.061 18219
9094 1 18 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.621 -1.247 18219
9095 1 18 . 1 1 58 58 ASP H H 49 8.192 8.192 8.202 -0.010 18219
9096 1 18 . 1 1 59 59 LYS N N 50 120.660 120.660 119.994 0.666 18219
9097 1 18 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.911 0.289 18219
9098 1 18 . 1 1 59 59 LYS C C 50 173.474 173.474 175.509 -2.035 18219
9099 1 18 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.410 -0.110 18219
9100 1 18 . 1 1 59 59 LYS CB C 50 32.034 32.034 31.698 0.336 18219
9101 1 18 . 1 1 59 59 LYS H H 50 8.003 8.003 7.703 0.300 18219
9102 1 18 . 1 1 60 60 ARG N N 51 121.278 121.278 122.507 -1.229 18219
9103 1 18 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.140 0.060 18219
9104 1 18 . 1 1 60 60 ARG C C 51 173.303 173.303 174.418 -1.115 18219
9105 1 18 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.127 0.156 18219
9106 1 18 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.234 -0.996 18219
9107 1 18 . 1 1 60 60 ARG H H 51 8.091 8.091 8.249 -0.158 18219
9108 1 18 . 1 1 61 61 ASP N N 52 121.185 121.185 121.152 0.033 18219
9109 1 18 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.801 -0.186 18219
9110 1 18 . 1 1 61 61 ASP C C 52 173.777 173.777 176.037 -2.260 18219
9111 1 18 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.030 -0.051 18219
9112 1 18 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.790 -1.545 18219
9113 1 18 . 1 1 61 61 ASP H H 52 8.261 8.261 8.257 0.004 18219
9114 1 18 . 1 1 62 62 VAL N N 53 121.902 121.902 123.924 -2.022 18219
9115 1 18 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.415 0.535 18219
9116 1 18 . 1 1 62 62 VAL C C 53 173.279 173.279 175.718 -2.439 18219
9117 1 18 . 1 1 62 62 VAL CA C 53 63.176 63.176 66.031 -2.855 18219
9118 1 18 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.429 0.670 18219
9119 1 18 . 1 1 62 62 VAL H H 53 7.997 7.997 8.740 -0.743 18219
9120 1 18 . 1 1 63 63 LYS N N 54 123.522 123.522 120.621 2.901 18219
9121 1 18 . 1 1 63 63 LYS HA H 54 4.260 4.260 3.744 0.516 18219
9122 1 18 . 1 1 63 63 LYS C C 54 174.481 174.481 177.998 -3.517 18219
9123 1 18 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.643 -3.296 18219
9124 1 18 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.785 0.313 18219
9125 1 18 . 1 1 63 63 LYS H H 54 8.054 8.054 7.948 0.106 18219
9126 1 18 . 1 1 64 64 VAL N N 55 120.647 120.647 117.824 2.823 18219
9127 1 18 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.739 0.208 18219
9128 1 18 . 1 1 64 64 VAL C C 55 174.955 174.955 177.773 -2.818 18219
9129 1 18 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.787 -1.187 18219
9130 1 18 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.228 0.649 18219
9131 1 18 . 1 1 64 64 VAL H H 55 8.225 8.225 8.145 0.080 18219
9132 1 18 . 1 1 65 65 SER N N 56 117.785 117.785 116.461 1.324 18219
9133 1 18 . 1 1 65 65 SER HA H 56 4.390 4.390 4.214 0.176 18219
9134 1 18 . 1 1 65 65 SER C C 56 172.300 172.300 176.456 -4.156 18219
9135 1 18 . 1 1 65 65 SER CA C 56 60.000 60.000 61.872 -1.872 18219
9136 1 18 . 1 1 65 65 SER CB C 56 62.879 62.879 62.660 0.219 18219
9137 1 18 . 1 1 65 65 SER H H 56 8.260 8.260 8.048 0.212 18219
9138 1 18 . 1 1 66 66 LEU N N 57 123.318 123.318 122.236 1.082 18219
9139 1 18 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.258 -0.168 18219
9140 1 18 . 1 1 66 66 LEU C C 57 175.932 175.932 178.958 -3.026 18219
9141 1 18 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.365 -0.863 18219
9142 1 18 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.357 0.364 18219
9143 1 18 . 1 1 66 66 LEU H H 57 8.091 8.091 8.806 -0.715 18219
9144 1 18 . 1 1 67 67 PHE N N 58 118.020 118.020 118.292 -0.272 18219
9145 1 18 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.181 0.149 18219
9146 1 18 . 1 1 67 67 PHE C C 58 174.912 174.912 178.623 -3.711 18219
9147 1 18 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.615 -1.015 18219
9148 1 18 . 1 1 67 67 PHE CB C 58 38.552 38.552 37.868 0.684 18219
9149 1 18 . 1 1 67 67 PHE H H 58 8.066 8.066 8.874 -0.808 18219
9150 1 18 . 1 1 68 68 THR N N 59 115.324 115.324 116.307 -0.983 18219
9151 1 18 . 1 1 68 68 THR HA H 59 4.310 4.310 4.190 0.120 18219
9152 1 18 . 1 1 68 68 THR C C 59 173.380 173.380 176.479 -3.099 18219
9153 1 18 . 1 1 68 68 THR CA C 59 66.313 66.313 66.366 -0.053 18219
9154 1 18 . 1 1 68 68 THR CB C 59 67.700 67.700 68.443 -0.743 18219
9155 1 18 . 1 1 68 68 THR H H 59 8.287 8.287 8.621 -0.334 18219
9156 1 18 . 1 1 69 69 ALA N N 60 123.621 123.621 124.852 -1.231 18219
9157 1 18 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.092 0.188 18219
9158 1 18 . 1 1 69 69 ALA C C 60 176.978 176.978 180.051 -3.073 18219
9159 1 18 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.132 -0.032 18219
9160 1 18 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.215 -0.487 18219
9161 1 18 . 1 1 69 69 ALA H H 60 7.983 7.983 8.211 -0.228 18219
9162 1 18 . 1 1 70 70 PHE N N 61 118.520 118.520 118.169 0.351 18219
9163 1 18 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.236 0.024 18219
9164 1 18 . 1 1 70 70 PHE C C 61 175.369 175.369 177.410 -2.041 18219
9165 1 18 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.280 -1.101 18219
9166 1 18 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.041 -0.335 18219
9167 1 18 . 1 1 70 70 PHE H H 61 8.007 8.007 8.874 -0.867 18219
9168 1 18 . 1 1 71 71 PHE N N 62 122.314 122.314 120.734 1.580 18219
9169 1 18 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.146 -0.146 18219
9170 1 18 . 1 1 71 71 PHE C C 62 174.697 174.697 177.213 -2.516 18219
9171 1 18 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.673 -2.156 18219
9172 1 18 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.166 -0.396 18219
9173 1 18 . 1 1 71 71 PHE H H 62 8.546 8.546 8.280 0.266 18219
9174 1 18 . 1 1 72 72 LEU N N 63 119.399 119.399 119.689 -0.290 18219
9175 1 18 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.920 -0.050 18219
9176 1 18 . 1 1 72 72 LEU C C 63 175.774 175.774 178.770 -2.996 18219
9177 1 18 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.903 -1.978 18219
9178 1 18 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.600 -0.393 18219
9179 1 18 . 1 1 72 72 LEU H H 63 8.396 8.396 8.858 -0.462 18219
9180 1 18 . 1 1 73 73 ALA N N 64 120.221 120.221 121.147 -0.926 18219
9181 1 18 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.877 0.083 18219
9182 1 18 . 1 1 73 73 ALA C C 64 177.267 177.267 179.563 -2.296 18219
9183 1 18 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.608 -1.008 18219
9184 1 18 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.730 0.054 18219
9185 1 18 . 1 1 73 73 ALA H H 64 8.025 8.025 8.095 -0.070 18219
9186 1 18 . 1 1 74 74 THR N N 65 113.648 113.648 116.752 -3.104 18219
9187 1 18 . 1 1 74 74 THR HA H 65 3.980 3.980 4.231 -0.251 18219
9188 1 18 . 1 1 74 74 THR CA C 65 66.291 66.291 66.386 -0.095 18219
9189 1 18 . 1 1 74 74 THR CB C 65 67.914 67.914 68.709 -0.795 18219
9190 1 18 . 1 1 74 74 THR H H 65 7.717 7.717 8.177 -0.460 18219
9191 1 18 . 1 1 75 75 ILE N N 66 120.291 120.291 120.900 -0.609 18219
9192 1 18 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.525 0.215 18219
9193 1 18 . 1 1 75 75 ILE C C 66 174.951 174.951 178.202 -3.251 18219
9194 1 18 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.125 0.755 18219
9195 1 18 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.401 -0.235 18219
9196 1 18 . 1 1 75 75 ILE H H 66 7.738 7.738 8.300 -0.562 18219
9197 1 18 . 1 1 76 76 MET N N 67 117.618 117.618 116.859 0.759 18219
9198 1 18 . 1 1 76 76 MET HA H 67 4.220 4.220 4.175 0.045 18219
9199 1 18 . 1 1 76 76 MET C C 67 175.142 175.142 178.025 -2.883 18219
9200 1 18 . 1 1 76 76 MET CA C 67 56.723 56.723 57.372 -0.649 18219
9201 1 18 . 1 1 76 76 MET CB C 67 31.951 31.951 33.347 -1.396 18219
9202 1 18 . 1 1 76 76 MET H H 67 7.823 7.823 8.508 -0.685 18219
9203 1 18 . 1 1 77 77 GLY N N 68 107.110 107.110 106.143 0.967 18219
9204 1 18 . 1 1 77 77 GLY C C 68 172.260 172.260 175.182 -2.922 18219
9205 1 18 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.586 0.214 18219
9206 1 18 . 1 1 77 77 GLY H H 68 7.937 7.937 8.489 -0.552 18219
9207 1 18 . 1 1 78 78 VAL N N 69 120.431 120.431 117.725 2.706 18219
9208 1 18 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.600 0.620 18219
9209 1 18 . 1 1 78 78 VAL CA C 69 63.900 63.900 65.016 -1.116 18219
9210 1 18 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.087 0.419 18219
9211 1 18 . 1 1 78 78 VAL H H 69 7.697 7.697 8.460 -0.763 18219
9212 1 18 . 1 1 79 79 ARG N N 70 121.420 121.420 118.270 3.150 18219
9213 1 18 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.148 -0.338 18219
9214 1 18 . 1 1 79 79 ARG CA C 70 56.400 56.400 58.707 -2.307 18219
9215 1 18 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.884 -0.787 18219
9216 1 18 . 1 1 79 79 ARG H H 70 7.889 7.889 8.311 -0.422 18219
9217 1 18 . 1 1 80 80 PHE N N 71 119.949 119.949 113.161 6.788 18219
9218 1 18 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.521 -0.011 18219
9219 1 18 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.106 -0.506 18219
9220 1 18 . 1 1 80 80 PHE CB C 71 39.145 39.145 40.333 -1.188 18219
9221 1 18 . 1 1 80 80 PHE H H 71 8.101 8.101 8.339 -0.238 18219
9222 1 18 . 1 1 81 81 LYS N N 72 122.193 122.193 118.315 3.878 18219
9223 1 18 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.764 0.036 18219
9224 1 18 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.179 -1.857 18219
9225 1 18 . 1 1 81 81 LYS H H 72 8.090 8.090 7.918 0.172 18219
9226 1 18 . 1 1 82 82 ARG N N 73 119.650 119.650 120.601 -0.951 18219
9227 1 18 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.348 -0.259 18219
9228 1 18 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.469 -1.298 18219
9229 1 18 . 1 1 82 82 ARG H H 73 8.052 8.052 8.401 -0.349 18219
9230 1 18 . 1 1 83 83 SER N N 74 115.734 115.734 117.745 -2.011 18219
9231 1 18 . 1 1 83 83 SER CA C 74 58.355 58.355 58.865 -0.510 18219
9232 1 18 . 1 1 83 83 SER CB C 74 63.404 63.404 64.034 -0.630 18219
9233 1 18 . 1 1 83 83 SER H H 74 7.912 7.912 8.818 -0.906 18219
9234 1 18 . 1 1 84 84 LYS N N 75 122.370 122.370 120.855 1.515 18219
9235 1 18 . 1 1 84 84 LYS CA C 75 56.135 56.135 57.330 -1.195 18219
9236 1 18 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.335 0.839 18219
9237 1 18 . 1 1 84 84 LYS H H 75 8.067 8.067 8.403 -0.336 18219
9238 1 18 . 1 1 86 86 ILE N N 77 119.592 119.592 118.572 1.020 18219
9239 1 18 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.187 -0.377 18219
9240 1 18 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.002 3.898 18219
9241 1 18 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.317 0.828 18219
9242 1 18 . 1 1 86 86 ILE H H 77 7.837 7.837 8.067 -0.230 18219
9243 1 18 . 1 1 87 87 MET N N 78 121.645 121.645 120.520 1.125 18219
9244 1 18 . 1 1 87 87 MET CA C 78 52.982 52.982 59.575 -6.593 18219
9245 1 18 . 1 1 87 87 MET CB C 78 32.173 32.173 30.637 1.536 18219
9246 1 18 . 1 1 87 87 MET H H 78 7.950 7.950 8.029 -0.079 18219
9247 1 18 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.544 -0.404 18219
9248 1 18 . 1 1 88 88 PRO C C 79 173.921 173.921 176.338 -2.417 18219
9249 1 18 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.270 0.530 18219
9250 1 18 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.239 1.897 18219
9251 1 18 . 1 1 89 89 ALA N N 80 124.431 124.431 125.073 -0.642 18219
9252 1 18 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.987 0.413 18219
9253 1 18 . 1 1 89 89 ALA C C 80 176.234 176.234 179.221 -2.987 18219
9254 1 18 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.764 -2.464 18219
9255 1 18 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.553 -0.055 18219
9256 1 18 . 1 1 89 89 ALA H H 80 8.320 8.320 8.612 -0.292 18219
9257 1 18 . 1 1 90 90 GLY N N 81 106.834 106.834 105.886 0.948 18219
9258 1 18 . 1 1 90 90 GLY C C 81 172.398 172.398 176.161 -3.763 18219
9259 1 18 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.904 -1.304 18219
9260 1 18 . 1 1 90 90 GLY H H 81 8.458 8.458 8.049 0.409 18219
9261 1 18 . 1 1 91 91 LEU N N 82 121.043 121.043 122.605 -1.562 18219
9262 1 18 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.071 0.129 18219
9263 1 18 . 1 1 91 91 LEU C C 82 174.783 174.783 179.144 -4.361 18219
9264 1 18 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.390 -1.090 18219
9265 1 18 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.140 0.966 18219
9266 1 18 . 1 1 91 91 LEU H H 82 7.687 7.687 7.660 0.027 18219
9267 1 18 . 1 1 92 92 VAL N N 83 114.737 114.737 118.953 -4.216 18219
9268 1 18 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.538 0.442 18219
9269 1 18 . 1 1 92 92 VAL C C 83 173.634 173.634 178.026 -4.392 18219
9270 1 18 . 1 1 92 92 VAL CA C 83 62.400 62.400 67.073 -4.673 18219
9271 1 18 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.087 0.498 18219
9272 1 18 . 1 1 92 92 VAL H H 83 7.602 7.602 8.397 -0.795 18219
9273 1 18 . 1 1 93 93 ALA N N 84 124.320 124.320 120.901 3.419 18219
9274 1 18 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.991 0.159 18219
9275 1 18 . 1 1 93 93 ALA C C 84 175.746 175.746 179.947 -4.201 18219
9276 1 18 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.305 -2.005 18219
9277 1 18 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.899 0.342 18219
9278 1 18 . 1 1 93 93 ALA H H 84 7.891 7.891 8.220 -0.329 18219
9279 1 18 . 1 1 94 94 GLY N N 85 106.807 106.807 107.114 -0.307 18219
9280 1 18 . 1 1 94 94 GLY C C 85 171.752 171.752 175.993 -4.241 18219
9281 1 18 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.592 -1.343 18219
9282 1 18 . 1 1 94 94 GLY H H 85 8.204 8.204 8.048 0.156 18219
9283 1 18 . 1 1 95 95 LEU N N 86 121.266 121.266 122.112 -0.846 18219
9284 1 18 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.147 0.233 18219
9285 1 18 . 1 1 95 95 LEU C C 86 173.702 173.702 178.841 -5.139 18219
9286 1 18 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.335 -2.335 18219
9287 1 18 . 1 1 95 95 LEU CB C 86 42.298 42.298 40.992 1.306 18219
9288 1 18 . 1 1 95 95 LEU H H 86 7.718 7.718 8.019 -0.301 18219
9289 1 18 . 1 1 96 96 SER N N 87 115.658 115.658 116.061 -0.403 18219
9290 1 18 . 1 1 96 96 SER HA H 87 4.370 4.370 4.139 0.231 18219
9291 1 18 . 1 1 96 96 SER C C 87 172.479 172.479 176.816 -4.337 18219
9292 1 18 . 1 1 96 96 SER CA C 87 57.200 57.200 62.271 -5.071 18219
9293 1 18 . 1 1 96 96 SER CB C 87 64.174 64.174 63.185 0.989 18219
9294 1 18 . 1 1 96 96 SER H H 87 7.659 7.659 8.127 -0.468 18219
9295 1 18 . 1 1 97 97 LEU N N 88 123.720 123.720 122.797 0.923 18219
9296 1 18 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.026 0.574 18219
9297 1 18 . 1 1 97 97 LEU C C 88 175.932 175.932 178.676 -2.744 18219
9298 1 18 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.806 -0.206 18219
9299 1 18 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.035 -0.635 18219
9300 1 18 . 1 1 97 97 LEU H H 88 8.733 8.733 8.134 0.599 18219
9301 1 18 . 1 1 98 98 MET N N 89 116.684 116.684 120.042 -3.358 18219
9302 1 18 . 1 1 98 98 MET HA H 89 4.280 4.280 4.140 0.140 18219
9303 1 18 . 1 1 98 98 MET C C 89 175.789 175.789 178.113 -2.324 18219
9304 1 18 . 1 1 98 98 MET CA C 89 56.915 56.915 58.923 -2.008 18219
9305 1 18 . 1 1 98 98 MET CB C 89 31.007 31.007 32.729 -1.722 18219
9306 1 18 . 1 1 98 98 MET H H 89 8.342 8.342 8.213 0.129 18219
9307 1 18 . 1 1 99 99 MET N N 90 119.182 119.182 118.104 1.078 18219
9308 1 18 . 1 1 99 99 MET HA H 90 4.110 4.110 4.214 -0.104 18219
9309 1 18 . 1 1 99 99 MET C C 90 175.588 175.588 178.732 -3.144 18219
9310 1 18 . 1 1 99 99 MET CA C 90 57.951 57.951 58.395 -0.444 18219
9311 1 18 . 1 1 99 99 MET CB C 90 32.226 32.226 32.011 0.215 18219
9312 1 18 . 1 1 99 99 MET H H 90 7.720 7.720 8.178 -0.459 18219
9313 1 18 . 1 1 100 100 ILE N N 91 119.077 119.077 120.851 -1.774 18219
9314 1 18 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.929 0.181 18219
9315 1 18 . 1 1 100 100 ILE C C 91 174.634 174.634 177.127 -2.493 18219
9316 1 18 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.759 -0.659 18219
9317 1 18 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.662 -1.519 18219
9318 1 18 . 1 1 100 100 ILE H H 91 7.662 7.662 8.178 -0.516 18219
9319 1 18 . 1 1 101 101 LEU N N 92 119.646 119.646 118.581 1.065 18219
9320 1 18 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.185 0.345 18219
9321 1 18 . 1 1 101 101 LEU C C 92 175.430 175.430 178.167 -2.737 18219
9322 1 18 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.492 0.308 18219
9323 1 18 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.394 -0.636 18219
9324 1 18 . 1 1 101 101 LEU H H 92 8.142 8.142 7.884 0.258 18219
9325 1 18 . 1 1 102 102 ARG N N 93 116.394 116.394 118.160 -1.766 18219
9326 1 18 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.379 -0.239 18219
9327 1 18 . 1 1 102 102 ARG C C 93 175.961 175.961 177.757 -1.796 18219
9328 1 18 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.385 0.715 18219
9329 1 18 . 1 1 102 102 ARG CB C 93 29.404 29.404 31.383 -1.979 18219
9330 1 18 . 1 1 102 102 ARG H H 93 7.893 7.893 8.146 -0.253 18219
9331 1 18 . 1 1 103 103 LEU N N 94 119.114 119.114 121.181 -2.067 18219
9332 1 18 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.280 -0.170 18219
9333 1 18 . 1 1 103 103 LEU C C 94 175.889 175.889 179.072 -3.183 18219
9334 1 18 . 1 1 103 103 LEU CA C 94 57.300 57.300 56.399 0.901 18219
9335 1 18 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.908 -0.612 18219
9336 1 18 . 1 1 103 103 LEU H H 94 7.622 7.622 7.958 -0.336 18219
9337 1 18 . 1 1 104 104 VAL N N 95 117.704 117.704 120.537 -2.833 18219
9338 1 18 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.770 -0.240 18219
9339 1 18 . 1 1 104 104 VAL C C 95 175.042 175.042 176.918 -1.876 18219
9340 1 18 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.961 0.458 18219
9341 1 18 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.785 -0.428 18219
9342 1 18 . 1 1 104 104 VAL H H 95 8.026 8.026 7.870 0.156 18219
9343 1 18 . 1 1 105 105 LEU N N 96 117.185 117.185 114.746 2.439 18219
9344 1 18 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.670 -0.690 18219
9345 1 18 . 1 1 105 105 LEU C C 96 176.579 176.579 176.376 0.203 18219
9346 1 18 . 1 1 105 105 LEU CA C 96 56.800 56.800 53.677 3.123 18219
9347 1 18 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.148 -0.197 18219
9348 1 18 . 1 1 105 105 LEU H H 96 7.893 7.893 7.592 0.301 18219
9349 1 18 . 1 1 106 106 LEU N N 97 118.471 118.471 115.989 2.482 18219
9350 1 18 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.949 0.231 18219
9351 1 18 . 1 1 106 106 LEU C C 97 175.802 175.802 176.564 -0.762 18219
9352 1 18 . 1 1 106 106 LEU CA C 97 56.300 56.300 56.101 0.199 18219
9353 1 18 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.314 1.278 18219
9354 1 18 . 1 1 106 106 LEU H H 97 7.545 7.545 7.502 0.043 18219
9355 1 18 . 1 1 107 107 LEU N N 98 118.162 118.162 115.747 2.415 18219
9356 1 18 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.395 -0.165 18219
9357 1 18 . 1 1 107 107 LEU C C 98 174.174 174.174 176.814 -2.640 18219
9358 1 18 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.957 0.326 18219
9359 1 18 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.208 0.154 18219
9360 1 18 . 1 1 107 107 LEU H H 98 7.688 7.688 7.519 0.169 18219
9361 1 19 . 1 1 11 11 ASP N N 2 120.536 120.536 121.478 -0.942 18219
9362 1 19 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.424 1.494 18219
9363 1 19 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.181 -3.222 18219
9364 1 19 . 1 1 11 11 ASP H H 2 7.863 7.863 8.493 -0.630 18219
9365 1 19 . 1 1 12 12 LEU N N 3 121.414 121.414 122.285 -0.871 18219
9366 1 19 . 1 1 12 12 LEU C C 3 176.162 176.162 178.588 -2.426 18219
9367 1 19 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.550 1.050 18219
9368 1 19 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.203 -0.546 18219
9369 1 19 . 1 1 12 12 LEU H H 3 8.285 8.285 8.264 0.021 18219
9370 1 19 . 1 1 13 13 ILE N N 4 118.854 118.854 117.677 1.177 18219
9371 1 19 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.850 -0.110 18219
9372 1 19 . 1 1 13 13 ILE C C 4 175.228 175.228 177.893 -2.665 18219
9373 1 19 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.157 1.343 18219
9374 1 19 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.228 -1.126 18219
9375 1 19 . 1 1 13 13 ILE H H 4 8.031 8.031 7.939 0.092 18219
9376 1 19 . 1 1 14 14 GLY N N 5 107.478 107.478 106.268 1.210 18219
9377 1 19 . 1 1 14 14 GLY C C 5 174.424 174.424 175.794 -1.370 18219
9378 1 19 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.512 0.547 18219
9379 1 19 . 1 1 14 14 GLY H H 5 8.148 8.148 8.415 -0.267 18219
9380 1 19 . 1 1 15 15 PHE N N 6 122.774 122.774 123.756 -0.982 18219
9381 1 19 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.285 0.195 18219
9382 1 19 . 1 1 15 15 PHE C C 6 175.113 175.113 176.926 -1.813 18219
9383 1 19 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.901 -1.884 18219
9384 1 19 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.560 0.214 18219
9385 1 19 . 1 1 15 15 PHE H H 6 8.194 8.194 7.947 0.247 18219
9386 1 19 . 1 1 16 16 GLY N N 7 107.938 107.938 106.773 1.165 18219
9387 1 19 . 1 1 16 16 GLY C C 7 171.838 171.838 175.637 -3.799 18219
9388 1 19 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.567 -0.467 18219
9389 1 19 . 1 1 16 16 GLY H H 7 8.697 8.697 8.658 0.039 18219
9390 1 19 . 1 1 17 17 TYR N N 8 121.785 121.785 123.577 -1.792 18219
9391 1 19 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.132 0.018 18219
9392 1 19 . 1 1 17 17 TYR C C 8 174.180 174.180 177.768 -3.588 18219
9393 1 19 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.696 0.604 18219
9394 1 19 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.299 -0.340 18219
9395 1 19 . 1 1 17 17 TYR H H 8 8.710 8.710 8.242 0.468 18219
9396 1 19 . 1 1 18 18 ALA N N 9 120.233 120.233 120.586 -0.353 18219
9397 1 19 . 1 1 18 18 ALA HA H 9 3.950 3.950 4.018 -0.068 18219
9398 1 19 . 1 1 18 18 ALA C C 9 178.059 178.059 178.884 -0.825 18219
9399 1 19 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.529 0.343 18219
9400 1 19 . 1 1 18 18 ALA CB C 9 17.562 17.562 18.116 -0.555 18219
9401 1 19 . 1 1 18 18 ALA H H 9 7.843 7.843 8.113 -0.270 18219
9402 1 19 . 1 1 19 19 ALA N N 10 121.797 121.797 122.903 -1.106 18219
9403 1 19 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.984 -0.034 18219
9404 1 19 . 1 1 19 19 ALA C C 10 176.191 176.191 179.506 -3.315 18219
9405 1 19 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.874 -0.275 18219
9406 1 19 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.381 -0.819 18219
9407 1 19 . 1 1 19 19 ALA H H 10 8.212 8.212 8.236 -0.024 18219
9408 1 19 . 1 1 20 20 LEU N N 11 119.442 119.442 117.522 1.920 18219
9409 1 19 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.006 -0.069 18219
9410 1 19 . 1 1 20 20 LEU C C 11 176.694 176.694 178.855 -2.161 18219
9411 1 19 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.020 -0.220 18219
9412 1 19 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.038 0.184 18219
9413 1 19 . 1 1 20 20 LEU H H 11 8.065 8.065 8.523 -0.458 18219
9414 1 19 . 1 1 21 21 VAL N N 12 118.323 118.323 120.442 -2.119 18219
9415 1 19 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.656 -0.016 18219
9416 1 19 . 1 1 21 21 VAL C C 12 176.536 176.536 178.659 -2.123 18219
9417 1 19 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.750 -1.350 18219
9418 1 19 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.586 0.549 18219
9419 1 19 . 1 1 21 21 VAL H H 12 8.051 8.051 8.386 -0.335 18219
9420 1 19 . 1 1 22 22 THR N N 13 118.298 118.298 116.566 1.732 18219
9421 1 19 . 1 1 22 22 THR HA H 13 4.660 4.660 4.054 0.606 18219
9422 1 19 . 1 1 22 22 THR C C 13 173.734 173.734 176.839 -3.105 18219
9423 1 19 . 1 1 22 22 THR CA C 13 66.300 66.300 66.312 -0.012 18219
9424 1 19 . 1 1 22 22 THR CB C 13 67.775 67.775 68.358 -0.583 18219
9425 1 19 . 1 1 22 22 THR H H 13 7.944 7.944 7.874 0.070 18219
9426 1 19 . 1 1 23 23 PHE N N 14 121.328 121.328 122.856 -1.528 18219
9427 1 19 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.239 0.101 18219
9428 1 19 . 1 1 23 23 PHE C C 14 174.783 174.783 177.212 -2.429 18219
9429 1 19 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.764 -1.264 18219
9430 1 19 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.882 -0.256 18219
9431 1 19 . 1 1 23 23 PHE H H 14 8.567 8.567 8.451 0.116 18219
9432 1 19 . 1 1 24 24 GLY N N 15 106.871 106.871 105.874 0.997 18219
9433 1 19 . 1 1 24 24 GLY C C 15 172.858 172.858 175.900 -3.042 18219
9434 1 19 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.152 -0.252 18219
9435 1 19 . 1 1 24 24 GLY H H 15 8.475 8.475 8.931 -0.456 18219
9436 1 19 . 1 1 25 25 SER N N 16 116.214 116.214 116.796 -0.582 18219
9437 1 19 . 1 1 25 25 SER HA H 16 4.280 4.280 4.316 -0.036 18219
9438 1 19 . 1 1 25 25 SER CA C 16 60.300 60.300 61.374 -1.074 18219
9439 1 19 . 1 1 25 25 SER CB C 16 62.879 62.879 63.343 -0.464 18219
9440 1 19 . 1 1 25 25 SER H H 16 7.963 7.963 7.871 0.092 18219
9441 1 19 . 1 1 26 26 ILE N N 17 121.024 121.024 121.673 -0.649 18219
9442 1 19 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.801 0.145 18219
9443 1 19 . 1 1 26 26 ILE C C 17 173.935 173.935 178.200 -4.265 18219
9444 1 19 . 1 1 26 26 ILE CA C 17 63.100 63.100 63.362 -0.263 18219
9445 1 19 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.433 0.674 18219
9446 1 19 . 1 1 26 26 ILE H H 17 7.676 7.676 8.109 -0.433 18219
9447 1 19 . 1 1 27 27 PHE N N 18 117.142 117.142 119.376 -2.234 18219
9448 1 19 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.107 0.323 18219
9449 1 19 . 1 1 27 27 PHE C C 18 173.504 173.504 176.316 -2.812 18219
9450 1 19 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.309 -1.809 18219
9451 1 19 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.544 -0.770 18219
9452 1 19 . 1 1 27 27 PHE H H 18 7.703 7.703 8.246 -0.543 18219
9453 1 19 . 1 1 28 28 GLY N N 19 107.303 107.303 106.965 0.338 18219
9454 1 19 . 1 1 28 28 GLY C C 19 171.593 171.593 173.872 -2.279 18219
9455 1 19 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.695 -0.095 18219
9456 1 19 . 1 1 28 28 GLY H H 19 7.722 7.722 7.787 -0.065 18219
9457 1 19 . 1 1 29 29 TYR N N 20 119.862 119.862 116.878 2.984 18219
9458 1 19 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.369 0.023 18219
9459 1 19 . 1 1 29 29 TYR C C 20 173.174 173.174 174.963 -1.789 18219
9460 1 19 . 1 1 29 29 TYR CA C 20 58.500 58.500 57.786 0.714 18219
9461 1 19 . 1 1 29 29 TYR CB C 20 38.404 38.404 38.313 0.091 18219
9462 1 19 . 1 1 29 29 TYR H H 20 7.880 7.880 8.408 -0.528 18219
9463 1 19 . 1 1 30 30 LYS N N 21 122.335 122.335 122.731 -0.396 18219
9464 1 19 . 1 1 30 30 LYS HA H 21 4.390 4.390 3.767 0.623 18219
9465 1 19 . 1 1 30 30 LYS C C 21 173.547 173.547 176.272 -2.725 18219
9466 1 19 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.408 -1.608 18219
9467 1 19 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.559 -0.163 18219
9468 1 19 . 1 1 30 30 LYS H H 21 7.934 7.934 8.039 -0.105 18219
9469 1 19 . 1 1 31 31 ARG N N 22 120.612 120.612 124.593 -3.981 18219
9470 1 19 . 1 1 31 31 ARG C C 22 173.547 173.547 175.671 -2.124 18219
9471 1 19 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.657 0.177 18219
9472 1 19 . 1 1 31 31 ARG CB C 22 30.101 30.101 31.755 -1.654 18219
9473 1 19 . 1 1 31 31 ARG H H 22 7.905 7.905 8.483 -0.578 18219
9474 1 19 . 1 1 32 32 ARG N N 23 121.748 121.748 123.028 -1.280 18219
9475 1 19 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.263 0.047 18219
9476 1 19 . 1 1 32 32 ARG C C 23 173.863 173.863 176.219 -2.356 18219
9477 1 19 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.006 -1.206 18219
9478 1 19 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.608 -0.363 18219
9479 1 19 . 1 1 32 32 ARG H H 23 8.175 8.175 8.567 -0.392 18219
9480 1 19 . 1 1 33 33 GLY N N 24 109.528 109.528 105.948 3.580 18219
9481 1 19 . 1 1 33 33 GLY C C 24 171.752 171.752 173.113 -1.361 18219
9482 1 19 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.182 0.718 18219
9483 1 19 . 1 1 33 33 GLY H H 24 8.264 8.264 8.200 0.064 18219
9484 1 19 . 1 1 34 34 GLY N N 25 108.563 108.563 108.563 0.000 18219
9485 1 19 . 1 1 34 34 GLY C C 25 171.701 171.701 174.108 -2.407 18219
9486 1 19 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.359 0.241 18219
9487 1 19 . 1 1 34 34 GLY H H 25 8.208 8.208 7.988 0.220 18219
9488 1 19 . 1 1 35 35 VAL N N 26 121.164 121.164 120.619 0.545 18219
9489 1 19 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.076 -0.066 18219
9490 1 19 . 1 1 35 35 VAL C C 26 175.888 175.888 175.833 0.055 18219
9491 1 19 . 1 1 35 35 VAL CA C 26 63.900 63.900 64.005 -0.105 18219
9492 1 19 . 1 1 35 35 VAL CB C 26 30.690 30.690 30.791 -0.101 18219
9493 1 19 . 1 1 35 35 VAL H H 26 8.485 8.485 8.282 0.203 18219
9494 1 19 . 1 1 36 36 PRO C C 27 177.660 177.660 176.473 1.187 18219
9495 1 19 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.204 -0.357 18219
9496 1 19 . 1 1 37 37 SER N N 28 116.023 116.023 112.641 3.382 18219
9497 1 19 . 1 1 37 37 SER HA H 28 4.280 4.280 4.502 -0.222 18219
9498 1 19 . 1 1 37 37 SER CA C 28 61.100 61.100 59.829 1.271 18219
9499 1 19 . 1 1 37 37 SER H H 28 7.948 7.948 8.522 -0.574 18219
9500 1 19 . 1 1 38 38 LEU N N 29 124.029 124.029 121.777 2.252 18219
9501 1 19 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.985 0.185 18219
9502 1 19 . 1 1 38 38 LEU C C 29 176.132 176.132 178.747 -2.615 18219
9503 1 19 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.319 -0.819 18219
9504 1 19 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.927 1.111 18219
9505 1 19 . 1 1 38 38 LEU H H 29 8.201 8.201 7.984 0.217 18219
9506 1 19 . 1 1 39 39 ILE N N 30 117.098 117.098 119.124 -2.026 18219
9507 1 19 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.887 0.483 18219
9508 1 19 . 1 1 39 39 ILE C C 30 176.478 176.478 177.314 -0.836 18219
9509 1 19 . 1 1 39 39 ILE CA C 30 63.079 63.079 62.730 0.349 18219
9510 1 19 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.095 -0.122 18219
9511 1 19 . 1 1 39 39 ILE H H 30 7.662 7.662 8.148 -0.486 18219
9512 1 19 . 1 1 40 40 ALA N N 31 122.447 122.447 122.815 -0.368 18219
9513 1 19 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.062 -0.028 18219
9514 1 19 . 1 1 40 40 ALA C C 31 177.067 177.067 179.498 -2.431 18219
9515 1 19 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.258 0.704 18219
9516 1 19 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.137 -0.281 18219
9517 1 19 . 1 1 40 40 ALA H H 31 8.096 8.096 8.183 -0.087 18219
9518 1 19 . 1 1 41 41 GLY N N 32 104.056 104.056 108.053 -3.997 18219
9519 1 19 . 1 1 41 41 GLY C C 32 174.251 174.251 175.757 -1.506 18219
9520 1 19 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.756 -0.256 18219
9521 1 19 . 1 1 41 41 GLY H H 32 8.123 8.123 8.271 -0.148 18219
9522 1 19 . 1 1 42 42 LEU N N 33 123.250 123.250 123.315 -0.065 18219
9523 1 19 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.981 -0.124 18219
9524 1 19 . 1 1 42 42 LEU C C 33 176.033 176.033 178.446 -2.413 18219
9525 1 19 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.353 -1.685 18219
9526 1 19 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.054 -0.333 18219
9527 1 19 . 1 1 42 42 LEU H H 33 7.914 7.914 8.238 -0.324 18219
9528 1 19 . 1 1 43 43 PHE N N 34 119.757 119.757 118.748 1.009 18219
9529 1 19 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.058 0.142 18219
9530 1 19 . 1 1 43 43 PHE C C 34 174.374 174.374 177.243 -2.869 18219
9531 1 19 . 1 1 43 43 PHE CA C 34 59.876 59.876 61.985 -2.109 18219
9532 1 19 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.778 0.056 18219
9533 1 19 . 1 1 43 43 PHE H H 34 8.287 8.287 8.260 0.027 18219
9534 1 19 . 1 1 44 44 VAL N N 35 117.791 117.791 119.088 -1.297 18219
9535 1 19 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.561 0.049 18219
9536 1 19 . 1 1 44 44 VAL C C 35 176.205 176.205 178.472 -2.267 18219
9537 1 19 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.810 -2.251 18219
9538 1 19 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.415 0.017 18219
9539 1 19 . 1 1 44 44 VAL H H 35 8.235 8.235 8.121 0.114 18219
9540 1 19 . 1 1 45 45 GLY N N 36 108.551 108.551 106.794 1.757 18219
9541 1 19 . 1 1 45 45 GLY C C 36 173.749 173.749 176.035 -2.286 18219
9542 1 19 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.097 -1.014 18219
9543 1 19 . 1 1 45 45 GLY H H 36 8.178 8.178 8.562 -0.384 18219
9544 1 19 . 1 1 46 46 CYS N N 37 121.173 121.173 122.504 -1.331 18219
9545 1 19 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.091 0.089 18219
9546 1 19 . 1 1 46 46 CYS C C 37 173.710 173.710 176.627 -2.917 18219
9547 1 19 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.266 -1.266 18219
9548 1 19 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.747 32.535 18219
9549 1 19 . 1 1 46 46 CYS H H 37 8.253 8.253 8.159 0.094 18219
9550 1 19 . 1 1 47 47 LEU N N 38 120.283 120.283 120.249 0.034 18219
9551 1 19 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.974 0.086 18219
9552 1 19 . 1 1 47 47 LEU C C 38 176.679 176.679 178.153 -1.474 18219
9553 1 19 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.143 -2.116 18219
9554 1 19 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.615 0.849 18219
9555 1 19 . 1 1 47 47 LEU H H 38 7.965 7.965 8.419 -0.454 18219
9556 1 19 . 1 1 48 48 ALA N N 39 122.249 122.249 122.071 0.178 18219
9557 1 19 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.964 0.178 18219
9558 1 19 . 1 1 48 48 ALA C C 39 177.915 177.915 179.404 -1.489 18219
9559 1 19 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.204 -1.487 18219
9560 1 19 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.064 -0.080 18219
9561 1 19 . 1 1 48 48 ALA H H 39 8.066 8.066 8.097 -0.031 18219
9562 1 19 . 1 1 49 49 GLY N N 40 107.377 107.377 107.590 -0.213 18219
9563 1 19 . 1 1 49 49 GLY C C 40 172.527 172.527 175.541 -3.014 18219
9564 1 19 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.659 -1.209 18219
9565 1 19 . 1 1 49 49 GLY H H 40 8.172 8.172 8.128 0.044 18219
9566 1 19 . 1 1 50 50 TYR N N 41 122.409 122.409 123.718 -1.309 18219
9567 1 19 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.967 -0.168 18219
9568 1 19 . 1 1 50 50 TYR C C 41 174.208 174.208 177.416 -3.208 18219
9569 1 19 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.317 -2.072 18219
9570 1 19 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.525 -0.589 18219
9571 1 19 . 1 1 50 50 TYR H H 41 7.800 7.800 8.598 -0.798 18219
9572 1 19 . 1 1 51 51 GLY N N 42 106.935 106.935 105.046 1.889 18219
9573 1 19 . 1 1 51 51 GLY C C 42 172.642 172.642 175.536 -2.894 18219
9574 1 19 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.581 0.684 18219
9575 1 19 . 1 1 51 51 GLY H H 42 8.199 8.199 8.164 0.035 18219
9576 1 19 . 1 1 52 52 ALA N N 43 123.018 123.018 126.592 -3.574 18219
9577 1 19 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.011 0.139 18219
9578 1 19 . 1 1 52 52 ALA C C 43 176.398 176.398 179.775 -3.377 18219
9579 1 19 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.463 -1.580 18219
9580 1 19 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.215 0.026 18219
9581 1 19 . 1 1 52 52 ALA H H 43 7.758 7.758 8.275 -0.517 18219
9582 1 19 . 1 1 53 53 TYR N N 44 119.664 119.664 118.673 0.991 18219
9583 1 19 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.024 0.294 18219
9584 1 19 . 1 1 53 53 TYR C C 44 174.180 174.180 178.472 -4.292 18219
9585 1 19 . 1 1 53 53 TYR CA C 44 58.593 58.593 62.309 -3.716 18219
9586 1 19 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.244 -0.052 18219
9587 1 19 . 1 1 53 53 TYR H H 44 7.920 7.920 8.370 -0.450 18219
9588 1 19 . 1 1 54 54 ARG N N 45 119.516 119.516 116.080 3.436 18219
9589 1 19 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.255 -0.325 18219
9590 1 19 . 1 1 54 54 ARG C C 45 174.423 174.423 176.357 -1.934 18219
9591 1 19 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.122 -1.095 18219
9592 1 19 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.642 -1.468 18219
9593 1 19 . 1 1 54 54 ARG H H 45 7.956 7.956 8.073 -0.117 18219
9594 1 19 . 1 1 55 55 VAL N N 46 116.437 116.437 115.953 0.484 18219
9595 1 19 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.674 0.386 18219
9596 1 19 . 1 1 55 55 VAL C C 46 173.806 173.806 174.009 -0.203 18219
9597 1 19 . 1 1 55 55 VAL CA C 46 62.300 62.300 64.047 -1.747 18219
9598 1 19 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.557 -0.036 18219
9599 1 19 . 1 1 55 55 VAL H H 46 7.489 7.489 7.936 -0.447 18219
9600 1 19 . 1 1 56 56 SER N N 47 117.185 117.185 113.741 3.444 18219
9601 1 19 . 1 1 56 56 SER HA H 47 4.401 4.401 4.648 -0.247 18219
9602 1 19 . 1 1 56 56 SER C C 47 172.074 172.074 173.379 -1.305 18219
9603 1 19 . 1 1 56 56 SER CA C 47 58.133 58.133 57.607 0.526 18219
9604 1 19 . 1 1 56 56 SER CB C 47 63.468 63.468 64.006 -0.538 18219
9605 1 19 . 1 1 56 56 SER H H 47 7.728 7.728 7.999 -0.271 18219
9606 1 19 . 1 1 57 57 ASN N N 48 121.049 121.049 122.737 -1.688 18219
9607 1 19 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.714 -0.124 18219
9608 1 19 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.681 -1.081 18219
9609 1 19 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.954 -0.313 18219
9610 1 19 . 1 1 57 57 ASN H H 48 8.228 8.228 8.773 -0.545 18219
9611 1 19 . 1 1 58 58 ASP N N 49 120.276 120.276 118.104 2.172 18219
9612 1 19 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.673 -0.143 18219
9613 1 19 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.238 -1.036 18219
9614 1 19 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.997 -1.623 18219
9615 1 19 . 1 1 58 58 ASP H H 49 8.192 8.192 8.269 -0.077 18219
9616 1 19 . 1 1 59 59 LYS N N 50 120.660 120.660 117.639 3.021 18219
9617 1 19 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.476 -0.276 18219
9618 1 19 . 1 1 59 59 LYS C C 50 173.474 173.474 175.678 -2.204 18219
9619 1 19 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.205 1.095 18219
9620 1 19 . 1 1 59 59 LYS CB C 50 32.034 32.034 34.638 -2.604 18219
9621 1 19 . 1 1 59 59 LYS H H 50 8.003 8.003 7.533 0.470 18219
9622 1 19 . 1 1 60 60 ARG N N 51 121.278 121.278 118.968 2.310 18219
9623 1 19 . 1 1 60 60 ARG HA H 51 4.200 4.200 3.974 0.226 18219
9624 1 19 . 1 1 60 60 ARG C C 51 173.303 173.303 176.498 -3.195 18219
9625 1 19 . 1 1 60 60 ARG CA C 51 56.283 56.283 58.358 -2.075 18219
9626 1 19 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.224 0.014 18219
9627 1 19 . 1 1 60 60 ARG H H 51 8.091 8.091 8.473 -0.382 18219
9628 1 19 . 1 1 61 61 ASP N N 52 121.185 121.185 113.451 7.734 18219
9629 1 19 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.658 -0.043 18219
9630 1 19 . 1 1 61 61 ASP C C 52 173.777 173.777 177.853 -4.076 18219
9631 1 19 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.852 -1.873 18219
9632 1 19 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.614 -1.369 18219
9633 1 19 . 1 1 61 61 ASP H H 52 8.261 8.261 8.084 0.177 18219
9634 1 19 . 1 1 62 62 VAL N N 53 121.902 121.902 121.381 0.521 18219
9635 1 19 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.828 0.122 18219
9636 1 19 . 1 1 62 62 VAL C C 53 173.279 173.279 177.342 -4.063 18219
9637 1 19 . 1 1 62 62 VAL CA C 53 63.176 63.176 66.678 -3.502 18219
9638 1 19 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.696 0.403 18219
9639 1 19 . 1 1 62 62 VAL H H 53 7.997 7.997 8.090 -0.093 18219
9640 1 19 . 1 1 63 63 LYS N N 54 123.522 123.522 119.912 3.610 18219
9641 1 19 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.071 0.189 18219
9642 1 19 . 1 1 63 63 LYS C C 54 174.481 174.481 178.601 -4.120 18219
9643 1 19 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.643 -3.296 18219
9644 1 19 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.001 0.098 18219
9645 1 19 . 1 1 63 63 LYS H H 54 8.054 8.054 8.107 -0.053 18219
9646 1 19 . 1 1 64 64 VAL N N 55 120.647 120.647 117.730 2.917 18219
9647 1 19 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.926 0.021 18219
9648 1 19 . 1 1 64 64 VAL C C 55 174.955 174.955 177.557 -2.602 18219
9649 1 19 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.067 -0.466 18219
9650 1 19 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.922 0.955 18219
9651 1 19 . 1 1 64 64 VAL H H 55 8.225 8.225 7.835 0.390 18219
9652 1 19 . 1 1 65 65 SER N N 56 117.785 117.785 116.547 1.238 18219
9653 1 19 . 1 1 65 65 SER HA H 56 4.390 4.390 4.109 0.281 18219
9654 1 19 . 1 1 65 65 SER C C 56 172.300 172.300 176.385 -4.085 18219
9655 1 19 . 1 1 65 65 SER CA C 56 60.000 60.000 62.047 -2.047 18219
9656 1 19 . 1 1 65 65 SER CB C 56 62.879 62.879 63.037 -0.158 18219
9657 1 19 . 1 1 65 65 SER H H 56 8.260 8.260 7.908 0.352 18219
9658 1 19 . 1 1 66 66 LEU N N 57 123.318 123.318 122.343 0.975 18219
9659 1 19 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.187 -0.097 18219
9660 1 19 . 1 1 66 66 LEU C C 57 175.932 175.932 178.204 -2.272 18219
9661 1 19 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.855 -0.353 18219
9662 1 19 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.086 0.635 18219
9663 1 19 . 1 1 66 66 LEU H H 57 8.091 8.091 8.167 -0.076 18219
9664 1 19 . 1 1 67 67 PHE N N 58 118.020 118.020 118.960 -0.940 18219
9665 1 19 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.077 0.253 18219
9666 1 19 . 1 1 67 67 PHE C C 58 174.912 174.912 177.771 -2.859 18219
9667 1 19 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.882 -1.282 18219
9668 1 19 . 1 1 67 67 PHE CB C 58 38.552 38.552 39.024 -0.472 18219
9669 1 19 . 1 1 67 67 PHE H H 58 8.066 8.066 8.481 -0.415 18219
9670 1 19 . 1 1 68 68 THR N N 59 115.324 115.324 116.718 -1.394 18219
9671 1 19 . 1 1 68 68 THR HA H 59 4.310 4.310 4.039 0.271 18219
9672 1 19 . 1 1 68 68 THR C C 59 173.380 173.380 176.129 -2.749 18219
9673 1 19 . 1 1 68 68 THR CA C 59 66.313 66.313 67.317 -1.004 18219
9674 1 19 . 1 1 68 68 THR CB C 59 67.700 67.700 68.928 -1.228 18219
9675 1 19 . 1 1 68 68 THR H H 59 8.287 8.287 8.229 0.058 18219
9676 1 19 . 1 1 69 69 ALA N N 60 123.621 123.621 124.915 -1.294 18219
9677 1 19 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.074 0.206 18219
9678 1 19 . 1 1 69 69 ALA C C 60 176.978 176.978 179.875 -2.897 18219
9679 1 19 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.218 -0.118 18219
9680 1 19 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.278 -0.550 18219
9681 1 19 . 1 1 69 69 ALA H H 60 7.983 7.983 8.102 -0.119 18219
9682 1 19 . 1 1 70 70 PHE N N 61 118.520 118.520 118.351 0.169 18219
9683 1 19 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.172 0.088 18219
9684 1 19 . 1 1 70 70 PHE C C 61 175.369 175.369 177.328 -1.959 18219
9685 1 19 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.094 -0.915 18219
9686 1 19 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.075 -0.369 18219
9687 1 19 . 1 1 70 70 PHE H H 61 8.007 8.007 8.424 -0.417 18219
9688 1 19 . 1 1 71 71 PHE N N 62 122.314 122.314 120.587 1.727 18219
9689 1 19 . 1 1 71 71 PHE HA H 62 4.000 4.000 3.994 0.006 18219
9690 1 19 . 1 1 71 71 PHE C C 62 174.697 174.697 177.384 -2.687 18219
9691 1 19 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.967 -1.450 18219
9692 1 19 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.029 -0.259 18219
9693 1 19 . 1 1 71 71 PHE H H 62 8.546 8.546 8.070 0.476 18219
9694 1 19 . 1 1 72 72 LEU N N 63 119.399 119.399 120.007 -0.608 18219
9695 1 19 . 1 1 72 72 LEU HA H 63 3.870 3.870 4.071 -0.201 18219
9696 1 19 . 1 1 72 72 LEU C C 63 175.774 175.774 178.981 -3.207 18219
9697 1 19 . 1 1 72 72 LEU CA C 63 56.925 56.925 57.827 -0.902 18219
9698 1 19 . 1 1 72 72 LEU CB C 63 41.207 41.207 40.626 0.581 18219
9699 1 19 . 1 1 72 72 LEU H H 63 8.396 8.396 8.816 -0.420 18219
9700 1 19 . 1 1 73 73 ALA N N 64 120.221 120.221 121.059 -0.838 18219
9701 1 19 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.870 0.090 18219
9702 1 19 . 1 1 73 73 ALA C C 64 177.267 177.267 179.501 -2.234 18219
9703 1 19 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.282 -0.682 18219
9704 1 19 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.032 -0.247 18219
9705 1 19 . 1 1 73 73 ALA H H 64 8.025 8.025 8.268 -0.243 18219
9706 1 19 . 1 1 74 74 THR N N 65 113.648 113.648 115.475 -1.827 18219
9707 1 19 . 1 1 74 74 THR HA H 65 3.980 3.980 3.884 0.096 18219
9708 1 19 . 1 1 74 74 THR CA C 65 66.291 66.291 67.258 -0.967 18219
9709 1 19 . 1 1 74 74 THR CB C 65 67.914 67.914 68.665 -0.750 18219
9710 1 19 . 1 1 74 74 THR H H 65 7.717 7.717 7.663 0.054 18219
9711 1 19 . 1 1 75 75 ILE N N 66 120.291 120.291 121.242 -0.951 18219
9712 1 19 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.570 0.170 18219
9713 1 19 . 1 1 75 75 ILE C C 66 174.951 174.951 177.747 -2.796 18219
9714 1 19 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.327 0.553 18219
9715 1 19 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.344 -0.178 18219
9716 1 19 . 1 1 75 75 ILE H H 66 7.738 7.738 8.253 -0.515 18219
9717 1 19 . 1 1 76 76 MET N N 67 117.618 117.618 117.037 0.581 18219
9718 1 19 . 1 1 76 76 MET HA H 67 4.220 4.220 4.245 -0.025 18219
9719 1 19 . 1 1 76 76 MET C C 67 175.142 175.142 176.936 -1.794 18219
9720 1 19 . 1 1 76 76 MET CA C 67 56.723 56.723 57.900 -1.177 18219
9721 1 19 . 1 1 76 76 MET CB C 67 31.951 31.951 33.959 -2.008 18219
9722 1 19 . 1 1 76 76 MET H H 67 7.823 7.823 8.521 -0.698 18219
9723 1 19 . 1 1 77 77 GLY N N 68 107.110 107.110 104.592 2.518 18219
9724 1 19 . 1 1 77 77 GLY C C 68 172.260 172.260 174.767 -2.507 18219
9725 1 19 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.776 1.024 18219
9726 1 19 . 1 1 77 77 GLY H H 68 7.937 7.937 8.066 -0.129 18219
9727 1 19 . 1 1 78 78 VAL N N 69 120.431 120.431 119.534 0.897 18219
9728 1 19 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.829 0.391 18219
9729 1 19 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.337 -0.437 18219
9730 1 19 . 1 1 78 78 VAL CB C 69 31.506 31.506 32.079 -0.573 18219
9731 1 19 . 1 1 78 78 VAL H H 69 7.697 7.697 8.429 -0.732 18219
9732 1 19 . 1 1 79 79 ARG N N 70 121.420 121.420 121.387 0.033 18219
9733 1 19 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.103 -0.293 18219
9734 1 19 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.911 -0.511 18219
9735 1 19 . 1 1 79 79 ARG CB C 70 30.097 30.097 28.643 1.454 18219
9736 1 19 . 1 1 79 79 ARG H H 70 7.889 7.889 7.934 -0.045 18219
9737 1 19 . 1 1 80 80 PHE N N 71 119.949 119.949 125.440 -5.491 18219
9738 1 19 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.535 -0.025 18219
9739 1 19 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.298 0.302 18219
9740 1 19 . 1 1 80 80 PHE CB C 71 39.145 39.145 40.712 -1.567 18219
9741 1 19 . 1 1 80 80 PHE H H 71 8.101 8.101 7.965 0.136 18219
9742 1 19 . 1 1 81 81 LYS N N 72 122.193 122.193 123.615 -1.422 18219
9743 1 19 . 1 1 81 81 LYS CA C 72 56.800 56.800 58.147 -1.347 18219
9744 1 19 . 1 1 81 81 LYS CB C 72 32.322 32.322 32.307 0.015 18219
9745 1 19 . 1 1 81 81 LYS H H 72 8.090 8.090 8.295 -0.205 18219
9746 1 19 . 1 1 82 82 ARG N N 73 119.650 119.650 117.796 1.854 18219
9747 1 19 . 1 1 82 82 ARG CA C 73 56.089 56.089 55.595 0.494 18219
9748 1 19 . 1 1 82 82 ARG CB C 73 30.171 30.171 32.484 -2.313 18219
9749 1 19 . 1 1 82 82 ARG H H 73 8.052 8.052 8.174 -0.122 18219
9750 1 19 . 1 1 83 83 SER N N 74 115.734 115.734 116.917 -1.183 18219
9751 1 19 . 1 1 83 83 SER CA C 74 58.355 58.355 58.746 -0.391 18219
9752 1 19 . 1 1 83 83 SER CB C 74 63.404 63.404 65.126 -1.722 18219
9753 1 19 . 1 1 83 83 SER H H 74 7.912 7.912 8.476 -0.564 18219
9754 1 19 . 1 1 84 84 LYS N N 75 122.370 122.370 121.623 0.747 18219
9755 1 19 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.877 -0.742 18219
9756 1 19 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.860 0.315 18219
9757 1 19 . 1 1 84 84 LYS H H 75 8.067 8.067 8.224 -0.157 18219
9758 1 19 . 1 1 86 86 ILE N N 77 119.592 119.592 115.972 3.620 18219
9759 1 19 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.086 -0.276 18219
9760 1 19 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.561 2.339 18219
9761 1 19 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.612 0.533 18219
9762 1 19 . 1 1 86 86 ILE H H 77 7.837 7.837 7.682 0.155 18219
9763 1 19 . 1 1 87 87 MET N N 78 121.645 121.645 118.577 3.068 18219
9764 1 19 . 1 1 87 87 MET CA C 78 52.982 52.982 58.278 -5.296 18219
9765 1 19 . 1 1 87 87 MET CB C 78 32.173 32.173 31.621 0.552 18219
9766 1 19 . 1 1 87 87 MET H H 78 7.950 7.950 8.286 -0.336 18219
9767 1 19 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.430 -0.290 18219
9768 1 19 . 1 1 88 88 PRO C C 79 173.921 173.921 177.520 -3.599 18219
9769 1 19 . 1 1 88 88 PRO CA C 79 62.800 62.800 64.530 -1.730 18219
9770 1 19 . 1 1 88 88 PRO CB C 79 31.136 31.136 32.072 -0.936 18219
9771 1 19 . 1 1 89 89 ALA N N 80 124.431 124.431 119.356 5.075 18219
9772 1 19 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.016 0.384 18219
9773 1 19 . 1 1 89 89 ALA C C 80 176.234 176.234 179.807 -3.573 18219
9774 1 19 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.570 -1.270 18219
9775 1 19 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.145 1.353 18219
9776 1 19 . 1 1 89 89 ALA H H 80 8.320 8.320 8.362 -0.042 18219
9777 1 19 . 1 1 90 90 GLY N N 81 106.834 106.834 106.423 0.411 18219
9778 1 19 . 1 1 90 90 GLY C C 81 172.398 172.398 175.507 -3.109 18219
9779 1 19 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.386 -0.786 18219
9780 1 19 . 1 1 90 90 GLY H H 81 8.458 8.458 8.634 -0.176 18219
9781 1 19 . 1 1 91 91 LEU N N 82 121.043 121.043 121.099 -0.056 18219
9782 1 19 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.138 0.062 18219
9783 1 19 . 1 1 91 91 LEU C C 82 174.783 174.783 179.031 -4.248 18219
9784 1 19 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.932 -1.632 18219
9785 1 19 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.431 0.674 18219
9786 1 19 . 1 1 91 91 LEU H H 82 7.687 7.687 7.979 -0.292 18219
9787 1 19 . 1 1 92 92 VAL N N 83 114.737 114.737 118.915 -4.178 18219
9788 1 19 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.670 0.310 18219
9789 1 19 . 1 1 92 92 VAL C C 83 173.634 173.634 177.771 -4.137 18219
9790 1 19 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.920 -4.520 18219
9791 1 19 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.357 0.228 18219
9792 1 19 . 1 1 92 92 VAL H H 83 7.602 7.602 7.929 -0.327 18219
9793 1 19 . 1 1 93 93 ALA N N 84 124.320 124.320 121.201 3.119 18219
9794 1 19 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.970 0.180 18219
9795 1 19 . 1 1 93 93 ALA C C 84 175.746 175.746 179.949 -4.203 18219
9796 1 19 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.270 -1.970 18219
9797 1 19 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.882 0.359 18219
9798 1 19 . 1 1 93 93 ALA H H 84 7.891 7.891 8.166 -0.275 18219
9799 1 19 . 1 1 94 94 GLY N N 85 106.807 106.807 107.157 -0.350 18219
9800 1 19 . 1 1 94 94 GLY C C 85 171.752 171.752 175.881 -4.129 18219
9801 1 19 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.554 -1.305 18219
9802 1 19 . 1 1 94 94 GLY H H 85 8.204 8.204 7.984 0.220 18219
9803 1 19 . 1 1 95 95 LEU N N 86 121.266 121.266 121.692 -0.426 18219
9804 1 19 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.092 0.288 18219
9805 1 19 . 1 1 95 95 LEU C C 86 173.702 173.702 179.428 -5.726 18219
9806 1 19 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.561 -2.561 18219
9807 1 19 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.157 1.141 18219
9808 1 19 . 1 1 95 95 LEU H H 86 7.718 7.718 7.977 -0.259 18219
9809 1 19 . 1 1 96 96 SER N N 87 115.658 115.658 115.489 0.169 18219
9810 1 19 . 1 1 96 96 SER HA H 87 4.370 4.370 4.144 0.226 18219
9811 1 19 . 1 1 96 96 SER C C 87 172.479 172.479 176.691 -4.212 18219
9812 1 19 . 1 1 96 96 SER CA C 87 57.200 57.200 62.110 -4.910 18219
9813 1 19 . 1 1 96 96 SER CB C 87 64.174 64.174 63.190 0.984 18219
9814 1 19 . 1 1 96 96 SER H H 87 7.659 7.659 8.170 -0.511 18219
9815 1 19 . 1 1 97 97 LEU N N 88 123.720 123.720 122.663 1.057 18219
9816 1 19 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.998 0.602 18219
9817 1 19 . 1 1 97 97 LEU C C 88 175.932 175.932 178.947 -3.015 18219
9818 1 19 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.712 -0.112 18219
9819 1 19 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.009 -0.609 18219
9820 1 19 . 1 1 97 97 LEU H H 88 8.733 8.733 8.174 0.559 18219
9821 1 19 . 1 1 98 98 MET N N 89 116.684 116.684 119.917 -3.233 18219
9822 1 19 . 1 1 98 98 MET HA H 89 4.280 4.280 4.166 0.114 18219
9823 1 19 . 1 1 98 98 MET C C 89 175.789 175.789 178.007 -2.218 18219
9824 1 19 . 1 1 98 98 MET CA C 89 56.915 56.915 58.663 -1.748 18219
9825 1 19 . 1 1 98 98 MET CB C 89 31.007 31.007 32.647 -1.640 18219
9826 1 19 . 1 1 98 98 MET H H 89 8.342 8.342 8.121 0.221 18219
9827 1 19 . 1 1 99 99 MET N N 90 119.182 119.182 118.527 0.655 18219
9828 1 19 . 1 1 99 99 MET HA H 90 4.110 4.110 4.131 -0.021 18219
9829 1 19 . 1 1 99 99 MET C C 90 175.588 175.588 178.812 -3.224 18219
9830 1 19 . 1 1 99 99 MET CA C 90 57.951 57.951 58.689 -0.738 18219
9831 1 19 . 1 1 99 99 MET CB C 90 32.226 32.226 31.856 0.370 18219
9832 1 19 . 1 1 99 99 MET H H 90 7.720 7.720 8.159 -0.439 18219
9833 1 19 . 1 1 100 100 ILE N N 91 119.077 119.077 120.303 -1.226 18219
9834 1 19 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.827 0.283 18219
9835 1 19 . 1 1 100 100 ILE C C 91 174.634 174.634 177.435 -2.801 18219
9836 1 19 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.738 -0.638 18219
9837 1 19 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.184 -1.041 18219
9838 1 19 . 1 1 100 100 ILE H H 91 7.662 7.662 8.278 -0.616 18219
9839 1 19 . 1 1 101 101 LEU N N 92 119.646 119.646 120.793 -1.147 18219
9840 1 19 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.938 0.592 18219
9841 1 19 . 1 1 101 101 LEU C C 92 175.430 175.430 178.594 -3.164 18219
9842 1 19 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.970 -0.170 18219
9843 1 19 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.764 -1.006 18219
9844 1 19 . 1 1 101 101 LEU H H 92 8.142 8.142 7.753 0.389 18219
9845 1 19 . 1 1 102 102 ARG N N 93 116.394 116.394 118.141 -1.747 18219
9846 1 19 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.271 -0.131 18219
9847 1 19 . 1 1 102 102 ARG C C 93 175.961 175.961 178.470 -2.509 18219
9848 1 19 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.462 0.638 18219
9849 1 19 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.740 -1.336 18219
9850 1 19 . 1 1 102 102 ARG H H 93 7.893 7.893 8.207 -0.314 18219
9851 1 19 . 1 1 103 103 LEU N N 94 119.114 119.114 121.847 -2.733 18219
9852 1 19 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.108 0.002 18219
9853 1 19 . 1 1 103 103 LEU C C 94 175.889 175.889 177.928 -2.039 18219
9854 1 19 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.767 -0.467 18219
9855 1 19 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.884 -0.588 18219
9856 1 19 . 1 1 103 103 LEU H H 94 7.622 7.622 7.737 -0.116 18219
9857 1 19 . 1 1 104 104 VAL N N 95 117.704 117.704 117.746 -0.042 18219
9858 1 19 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.783 -0.253 18219
9859 1 19 . 1 1 104 104 VAL C C 95 175.042 175.042 177.573 -2.531 18219
9860 1 19 . 1 1 104 104 VAL CA C 95 66.419 66.419 64.334 2.085 18219
9861 1 19 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.760 -0.403 18219
9862 1 19 . 1 1 104 104 VAL H H 95 8.026 8.026 8.247 -0.221 18219
9863 1 19 . 1 1 105 105 LEU N N 96 117.185 117.185 116.319 0.866 18219
9864 1 19 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.113 -0.133 18219
9865 1 19 . 1 1 105 105 LEU C C 96 176.579 176.579 178.204 -1.625 18219
9866 1 19 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.357 0.443 18219
9867 1 19 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.094 -1.143 18219
9868 1 19 . 1 1 105 105 LEU H H 96 7.893 7.893 7.685 0.208 18219
9869 1 19 . 1 1 106 106 LEU N N 97 118.471 118.471 118.203 0.268 18219
9870 1 19 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.898 0.282 18219
9871 1 19 . 1 1 106 106 LEU C C 97 175.802 175.802 176.027 -0.225 18219
9872 1 19 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.095 1.205 18219
9873 1 19 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.470 1.122 18219
9874 1 19 . 1 1 106 106 LEU H H 97 7.545 7.545 7.913 -0.368 18219
9875 1 19 . 1 1 107 107 LEU N N 98 118.162 118.162 114.319 3.843 18219
9876 1 19 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.852 0.378 18219
9877 1 19 . 1 1 107 107 LEU C C 98 174.174 174.174 177.566 -3.392 18219
9878 1 19 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.638 0.645 18219
9879 1 19 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.566 2.796 18219
9880 1 19 . 1 1 107 107 LEU H H 98 7.688 7.688 8.282 -0.594 18219
9881 1 20 . 1 1 11 11 ASP N N 2 120.536 120.536 120.905 -0.369 18219
9882 1 20 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.428 1.490 18219
9883 1 20 . 1 1 11 11 ASP CB C 2 37.959 37.959 40.856 -2.897 18219
9884 1 20 . 1 1 11 11 ASP H H 2 7.863 7.863 8.378 -0.515 18219
9885 1 20 . 1 1 12 12 LEU N N 3 121.414 121.414 122.024 -0.610 18219
9886 1 20 . 1 1 12 12 LEU C C 3 176.162 176.162 179.368 -3.206 18219
9887 1 20 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.980 0.620 18219
9888 1 20 . 1 1 12 12 LEU CB C 3 41.657 41.657 41.935 -0.278 18219
9889 1 20 . 1 1 12 12 LEU H H 3 8.285 8.285 7.897 0.388 18219
9890 1 20 . 1 1 13 13 ILE N N 4 118.854 118.854 117.492 1.362 18219
9891 1 20 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.854 -0.114 18219
9892 1 20 . 1 1 13 13 ILE C C 4 175.228 175.228 177.678 -2.450 18219
9893 1 20 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.664 0.836 18219
9894 1 20 . 1 1 13 13 ILE CB C 4 37.102 37.102 37.786 -0.684 18219
9895 1 20 . 1 1 13 13 ILE H H 4 8.031 8.031 7.932 0.099 18219
9896 1 20 . 1 1 14 14 GLY N N 5 107.478 107.478 106.408 1.070 18219
9897 1 20 . 1 1 14 14 GLY C C 5 174.424 174.424 176.009 -1.585 18219
9898 1 20 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.799 0.260 18219
9899 1 20 . 1 1 14 14 GLY H H 5 8.148 8.148 8.268 -0.120 18219
9900 1 20 . 1 1 15 15 PHE N N 6 122.774 122.774 123.806 -1.032 18219
9901 1 20 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.268 0.212 18219
9902 1 20 . 1 1 15 15 PHE C C 6 175.113 175.113 177.202 -2.089 18219
9903 1 20 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.872 -1.855 18219
9904 1 20 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.526 0.248 18219
9905 1 20 . 1 1 15 15 PHE H H 6 8.194 8.194 8.816 -0.622 18219
9906 1 20 . 1 1 16 16 GLY N N 7 107.938 107.938 106.350 1.588 18219
9907 1 20 . 1 1 16 16 GLY C C 7 171.838 171.838 175.665 -3.827 18219
9908 1 20 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.406 -0.306 18219
9909 1 20 . 1 1 16 16 GLY H H 7 8.697 8.697 8.632 0.065 18219
9910 1 20 . 1 1 17 17 TYR N N 8 121.785 121.785 123.362 -1.577 18219
9911 1 20 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.117 0.033 18219
9912 1 20 . 1 1 17 17 TYR C C 8 174.180 174.180 177.597 -3.417 18219
9913 1 20 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.330 -0.030 18219
9914 1 20 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.420 -0.461 18219
9915 1 20 . 1 1 17 17 TYR H H 8 8.710 8.710 8.198 0.512 18219
9916 1 20 . 1 1 18 18 ALA N N 9 120.233 120.233 120.308 -0.075 18219
9917 1 20 . 1 1 18 18 ALA HA H 9 3.950 3.950 4.008 -0.058 18219
9918 1 20 . 1 1 18 18 ALA C C 9 178.059 178.059 178.832 -0.773 18219
9919 1 20 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.431 0.441 18219
9920 1 20 . 1 1 18 18 ALA CB C 9 17.562 17.562 18.023 -0.461 18219
9921 1 20 . 1 1 18 18 ALA H H 9 7.843 7.843 8.253 -0.410 18219
9922 1 20 . 1 1 19 19 ALA N N 10 121.797 121.797 123.088 -1.291 18219
9923 1 20 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.976 -0.026 18219
9924 1 20 . 1 1 19 19 ALA C C 10 176.191 176.191 179.477 -3.286 18219
9925 1 20 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.985 -0.385 18219
9926 1 20 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.289 -0.727 18219
9927 1 20 . 1 1 19 19 ALA H H 10 8.212 8.212 7.972 0.240 18219
9928 1 20 . 1 1 20 20 LEU N N 11 119.442 119.442 117.352 2.090 18219
9929 1 20 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.992 -0.055 18219
9930 1 20 . 1 1 20 20 LEU C C 11 176.694 176.694 178.860 -2.166 18219
9931 1 20 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.947 -0.147 18219
9932 1 20 . 1 1 20 20 LEU CB C 11 41.222 41.222 40.987 0.235 18219
9933 1 20 . 1 1 20 20 LEU H H 11 8.065 8.065 8.143 -0.078 18219
9934 1 20 . 1 1 21 21 VAL N N 12 118.323 118.323 120.750 -2.427 18219
9935 1 20 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.590 0.050 18219
9936 1 20 . 1 1 21 21 VAL C C 12 176.536 176.536 178.509 -1.973 18219
9937 1 20 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.505 -1.105 18219
9938 1 20 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.727 0.408 18219
9939 1 20 . 1 1 21 21 VAL H H 12 8.051 8.051 8.275 -0.224 18219
9940 1 20 . 1 1 22 22 THR N N 13 118.298 118.298 116.639 1.659 18219
9941 1 20 . 1 1 22 22 THR HA H 13 4.660 4.660 4.038 0.622 18219
9942 1 20 . 1 1 22 22 THR C C 13 173.734 173.734 176.632 -2.898 18219
9943 1 20 . 1 1 22 22 THR CA C 13 66.300 66.300 66.582 -0.281 18219
9944 1 20 . 1 1 22 22 THR CB C 13 67.775 67.775 68.517 -0.742 18219
9945 1 20 . 1 1 22 22 THR H H 13 7.944 7.944 8.154 -0.210 18219
9946 1 20 . 1 1 23 23 PHE N N 14 121.328 121.328 122.489 -1.161 18219
9947 1 20 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.193 0.147 18219
9948 1 20 . 1 1 23 23 PHE C C 14 174.783 174.783 177.297 -2.514 18219
9949 1 20 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.979 -1.479 18219
9950 1 20 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.929 -0.303 18219
9951 1 20 . 1 1 23 23 PHE H H 14 8.567 8.567 8.418 0.149 18219
9952 1 20 . 1 1 24 24 GLY N N 15 106.871 106.871 105.120 1.751 18219
9953 1 20 . 1 1 24 24 GLY C C 15 172.858 172.858 176.878 -4.020 18219
9954 1 20 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.173 -0.273 18219
9955 1 20 . 1 1 24 24 GLY H H 15 8.475 8.475 9.056 -0.581 18219
9956 1 20 . 1 1 25 25 SER N N 16 116.214 116.214 118.241 -2.027 18219
9957 1 20 . 1 1 25 25 SER HA H 16 4.280 4.280 4.421 -0.141 18219
9958 1 20 . 1 1 25 25 SER CA C 16 60.300 60.300 61.440 -1.140 18219
9959 1 20 . 1 1 25 25 SER CB C 16 62.879 62.879 63.129 -0.250 18219
9960 1 20 . 1 1 25 25 SER H H 16 7.963 7.963 8.004 -0.041 18219
9961 1 20 . 1 1 26 26 ILE N N 17 121.024 121.024 121.457 -0.433 18219
9962 1 20 . 1 1 26 26 ILE HA H 17 3.946 3.946 4.010 -0.064 18219
9963 1 20 . 1 1 26 26 ILE C C 17 173.935 173.935 178.040 -4.105 18219
9964 1 20 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.580 -1.480 18219
9965 1 20 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.511 0.596 18219
9966 1 20 . 1 1 26 26 ILE H H 17 7.676 7.676 8.292 -0.616 18219
9967 1 20 . 1 1 27 27 PHE N N 18 117.142 117.142 120.035 -2.893 18219
9968 1 20 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.177 0.253 18219
9969 1 20 . 1 1 27 27 PHE C C 18 173.504 173.504 177.318 -3.814 18219
9970 1 20 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.290 -1.790 18219
9971 1 20 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.739 0.035 18219
9972 1 20 . 1 1 27 27 PHE H H 18 7.703 7.703 8.281 -0.578 18219
9973 1 20 . 1 1 28 28 GLY N N 19 107.303 107.303 106.650 0.653 18219
9974 1 20 . 1 1 28 28 GLY C C 19 171.593 171.593 174.316 -2.723 18219
9975 1 20 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.369 0.231 18219
9976 1 20 . 1 1 28 28 GLY H H 19 7.722 7.722 7.630 0.092 18219
9977 1 20 . 1 1 29 29 TYR N N 20 119.862 119.862 120.274 -0.412 18219
9978 1 20 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.164 0.228 18219
9979 1 20 . 1 1 29 29 TYR C C 20 173.174 173.174 176.250 -3.076 18219
9980 1 20 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.102 0.398 18219
9981 1 20 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.371 1.033 18219
9982 1 20 . 1 1 29 29 TYR H H 20 7.880 7.880 7.790 0.090 18219
9983 1 20 . 1 1 30 30 LYS N N 21 122.335 122.335 124.331 -1.996 18219
9984 1 20 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.062 0.328 18219
9985 1 20 . 1 1 30 30 LYS C C 21 173.547 173.547 176.210 -2.663 18219
9986 1 20 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.204 -1.404 18219
9987 1 20 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.949 -0.553 18219
9988 1 20 . 1 1 30 30 LYS H H 21 7.934 7.934 8.216 -0.282 18219
9989 1 20 . 1 1 31 31 ARG N N 22 120.612 120.612 125.449 -4.837 18219
9990 1 20 . 1 1 31 31 ARG C C 22 173.547 173.547 176.062 -2.515 18219
9991 1 20 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.222 -0.388 18219
9992 1 20 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.006 0.095 18219
9993 1 20 . 1 1 31 31 ARG H H 22 7.905 7.905 8.549 -0.644 18219
9994 1 20 . 1 1 32 32 ARG N N 23 121.748 121.748 122.269 -0.521 18219
9995 1 20 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.295 0.015 18219
9996 1 20 . 1 1 32 32 ARG C C 23 173.863 173.863 176.855 -2.992 18219
9997 1 20 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.210 -0.410 18219
9998 1 20 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.082 0.163 18219
9999 1 20 . 1 1 32 32 ARG H H 23 8.175 8.175 8.683 -0.508 18219
10000 1 20 . 1 1 33 33 GLY N N 24 109.528 109.528 106.747 2.781 18219
10001 1 20 . 1 1 33 33 GLY C C 24 171.752 171.752 173.207 -1.455 18219
10002 1 20 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.155 0.745 18219
10003 1 20 . 1 1 33 33 GLY H H 24 8.264 8.264 7.731 0.533 18219
10004 1 20 . 1 1 34 34 GLY N N 25 108.563 108.563 107.615 0.948 18219
10005 1 20 . 1 1 34 34 GLY C C 25 171.701 171.701 174.239 -2.538 18219
10006 1 20 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.590 0.010 18219
10007 1 20 . 1 1 34 34 GLY H H 25 8.208 8.208 8.005 0.203 18219
10008 1 20 . 1 1 35 35 VAL N N 26 121.164 121.164 122.127 -0.963 18219
10009 1 20 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.082 -0.072 18219
10010 1 20 . 1 1 35 35 VAL C C 26 175.888 175.888 175.489 0.399 18219
10011 1 20 . 1 1 35 35 VAL CA C 26 63.900 63.900 63.907 -0.007 18219
10012 1 20 . 1 1 35 35 VAL CB C 26 30.690 30.690 30.597 0.093 18219
10013 1 20 . 1 1 35 35 VAL H H 26 8.485 8.485 8.397 0.088 18219
10014 1 20 . 1 1 36 36 PRO C C 27 177.660 177.660 175.784 1.876 18219
10015 1 20 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.463 -0.616 18219
10016 1 20 . 1 1 37 37 SER N N 28 116.023 116.023 112.800 3.223 18219
10017 1 20 . 1 1 37 37 SER HA H 28 4.280 4.280 4.449 -0.169 18219
10018 1 20 . 1 1 37 37 SER CA C 28 61.100 61.100 60.092 1.008 18219
10019 1 20 . 1 1 37 37 SER H H 28 7.948 7.948 8.188 -0.240 18219
10020 1 20 . 1 1 38 38 LEU N N 29 124.029 124.029 121.169 2.860 18219
10021 1 20 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.096 0.074 18219
10022 1 20 . 1 1 38 38 LEU C C 29 176.132 176.132 178.423 -2.291 18219
10023 1 20 . 1 1 38 38 LEU CA C 29 57.500 57.500 57.911 -0.411 18219
10024 1 20 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.962 1.076 18219
10025 1 20 . 1 1 38 38 LEU H H 29 8.201 8.201 7.957 0.244 18219
10026 1 20 . 1 1 39 39 ILE N N 30 117.098 117.098 119.289 -2.191 18219
10027 1 20 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.862 0.508 18219
10028 1 20 . 1 1 39 39 ILE C C 30 176.478 176.478 177.374 -0.896 18219
10029 1 20 . 1 1 39 39 ILE CA C 30 63.079 63.079 62.608 0.471 18219
10030 1 20 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.011 -0.038 18219
10031 1 20 . 1 1 39 39 ILE H H 30 7.662 7.662 8.128 -0.466 18219
10032 1 20 . 1 1 40 40 ALA N N 31 122.447 122.447 122.998 -0.551 18219
10033 1 20 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.031 0.003 18219
10034 1 20 . 1 1 40 40 ALA C C 31 177.067 177.067 179.439 -2.372 18219
10035 1 20 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.480 0.482 18219
10036 1 20 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.079 -0.223 18219
10037 1 20 . 1 1 40 40 ALA H H 31 8.096 8.096 8.232 -0.136 18219
10038 1 20 . 1 1 41 41 GLY N N 32 104.056 104.056 107.849 -3.793 18219
10039 1 20 . 1 1 41 41 GLY C C 32 174.251 174.251 175.840 -1.589 18219
10040 1 20 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.830 -0.329 18219
10041 1 20 . 1 1 41 41 GLY H H 32 8.123 8.123 8.105 0.018 18219
10042 1 20 . 1 1 42 42 LEU N N 33 123.250 123.250 123.366 -0.116 18219
10043 1 20 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.958 -0.101 18219
10044 1 20 . 1 1 42 42 LEU C C 33 176.033 176.033 178.433 -2.400 18219
10045 1 20 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.361 -1.693 18219
10046 1 20 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.033 -0.312 18219
10047 1 20 . 1 1 42 42 LEU H H 33 7.914 7.914 8.087 -0.173 18219
10048 1 20 . 1 1 43 43 PHE N N 34 119.757 119.757 118.809 0.948 18219
10049 1 20 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.062 0.138 18219
10050 1 20 . 1 1 43 43 PHE C C 34 174.374 174.374 177.623 -3.249 18219
10051 1 20 . 1 1 43 43 PHE CA C 34 59.876 59.876 61.390 -1.514 18219
10052 1 20 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.699 0.135 18219
10053 1 20 . 1 1 43 43 PHE H H 34 8.287 8.287 8.195 0.092 18219
10054 1 20 . 1 1 44 44 VAL N N 35 117.791 117.791 118.141 -0.350 18219
10055 1 20 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.457 0.153 18219
10056 1 20 . 1 1 44 44 VAL C C 35 176.205 176.205 178.539 -2.334 18219
10057 1 20 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.027 -2.468 18219
10058 1 20 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.082 0.350 18219
10059 1 20 . 1 1 44 44 VAL H H 35 8.235 8.235 8.375 -0.140 18219
10060 1 20 . 1 1 45 45 GLY N N 36 108.551 108.551 106.524 2.027 18219
10061 1 20 . 1 1 45 45 GLY C C 36 173.749 173.749 175.608 -1.859 18219
10062 1 20 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.262 -1.179 18219
10063 1 20 . 1 1 45 45 GLY H H 36 8.178 8.178 8.704 -0.526 18219
10064 1 20 . 1 1 46 46 CYS N N 37 121.173 121.173 122.325 -1.152 18219
10065 1 20 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.167 0.013 18219
10066 1 20 . 1 1 46 46 CYS C C 37 173.710 173.710 176.679 -2.969 18219
10067 1 20 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.448 -0.448 18219
10068 1 20 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.409 32.874 18219
10069 1 20 . 1 1 46 46 CYS H H 37 8.253 8.253 7.845 0.408 18219
10070 1 20 . 1 1 47 47 LEU N N 38 120.283 120.283 118.793 1.490 18219
10071 1 20 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.909 0.151 18219
10072 1 20 . 1 1 47 47 LEU C C 38 176.679 176.679 178.441 -1.762 18219
10073 1 20 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.368 -1.341 18219
10074 1 20 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.954 0.510 18219
10075 1 20 . 1 1 47 47 LEU H H 38 7.965 7.965 8.193 -0.228 18219
10076 1 20 . 1 1 48 48 ALA N N 39 122.249 122.249 122.091 0.158 18219
10077 1 20 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.018 0.124 18219
10078 1 20 . 1 1 48 48 ALA C C 39 177.915 177.915 179.764 -1.849 18219
10079 1 20 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.105 -1.388 18219
10080 1 20 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.194 -0.209 18219
10081 1 20 . 1 1 48 48 ALA H H 39 8.066 8.066 7.958 0.108 18219
10082 1 20 . 1 1 49 49 GLY N N 40 107.377 107.377 107.142 0.235 18219
10083 1 20 . 1 1 49 49 GLY C C 40 172.527 172.527 175.622 -3.095 18219
10084 1 20 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.873 -1.423 18219
10085 1 20 . 1 1 49 49 GLY H H 40 8.172 8.172 8.504 -0.332 18219
10086 1 20 . 1 1 50 50 TYR N N 41 122.409 122.409 123.384 -0.975 18219
10087 1 20 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.208 -0.409 18219
10088 1 20 . 1 1 50 50 TYR C C 41 174.208 174.208 177.737 -3.529 18219
10089 1 20 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.779 -1.534 18219
10090 1 20 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.361 -0.425 18219
10091 1 20 . 1 1 50 50 TYR H H 41 7.800 7.800 8.333 -0.533 18219
10092 1 20 . 1 1 51 51 GLY N N 42 106.935 106.935 107.181 -0.246 18219
10093 1 20 . 1 1 51 51 GLY C C 42 172.642 172.642 175.051 -2.409 18219
10094 1 20 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.404 0.861 18219
10095 1 20 . 1 1 51 51 GLY H H 42 8.199 8.199 8.066 0.133 18219
10096 1 20 . 1 1 52 52 ALA N N 43 123.018 123.018 125.289 -2.271 18219
10097 1 20 . 1 1 52 52 ALA HA H 43 4.150 4.150 3.980 0.170 18219
10098 1 20 . 1 1 52 52 ALA C C 43 176.398 176.398 178.402 -2.004 18219
10099 1 20 . 1 1 52 52 ALA CA C 43 52.883 52.883 53.830 -0.947 18219
10100 1 20 . 1 1 52 52 ALA CB C 43 18.241 18.241 19.140 -0.899 18219
10101 1 20 . 1 1 52 52 ALA H H 43 7.758 7.758 7.726 0.032 18219
10102 1 20 . 1 1 53 53 TYR N N 44 119.664 119.664 115.899 3.765 18219
10103 1 20 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.159 0.159 18219
10104 1 20 . 1 1 53 53 TYR C C 44 174.180 174.180 175.630 -1.450 18219
10105 1 20 . 1 1 53 53 TYR CA C 44 58.593 58.593 58.987 -0.394 18219
10106 1 20 . 1 1 53 53 TYR CB C 44 38.192 38.192 36.445 1.747 18219
10107 1 20 . 1 1 53 53 TYR H H 44 7.920 7.920 8.399 -0.479 18219
10108 1 20 . 1 1 54 54 ARG N N 45 119.516 119.516 117.498 2.018 18219
10109 1 20 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.152 -0.222 18219
10110 1 20 . 1 1 54 54 ARG C C 45 174.423 174.423 175.299 -0.876 18219
10111 1 20 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.836 -0.809 18219
10112 1 20 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.981 -0.808 18219
10113 1 20 . 1 1 54 54 ARG H H 45 7.956 7.956 8.071 -0.115 18219
10114 1 20 . 1 1 55 55 VAL N N 46 116.437 116.437 116.426 0.011 18219
10115 1 20 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.737 0.323 18219
10116 1 20 . 1 1 55 55 VAL C C 46 173.806 173.806 173.572 0.234 18219
10117 1 20 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.571 -1.271 18219
10118 1 20 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.354 0.167 18219
10119 1 20 . 1 1 55 55 VAL H H 46 7.489 7.489 8.351 -0.862 18219
10120 1 20 . 1 1 56 56 SER N N 47 117.185 117.185 113.716 3.469 18219
10121 1 20 . 1 1 56 56 SER HA H 47 4.401 4.401 4.530 -0.129 18219
10122 1 20 . 1 1 56 56 SER C C 47 172.074 172.074 174.079 -2.005 18219
10123 1 20 . 1 1 56 56 SER CA C 47 58.133 58.133 58.434 -0.301 18219
10124 1 20 . 1 1 56 56 SER CB C 47 63.468 63.468 63.920 -0.452 18219
10125 1 20 . 1 1 56 56 SER H H 47 7.728 7.728 8.022 -0.294 18219
10126 1 20 . 1 1 57 57 ASN N N 48 121.049 121.049 122.790 -1.741 18219
10127 1 20 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.682 -0.092 18219
10128 1 20 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.368 -0.768 18219
10129 1 20 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.874 -0.233 18219
10130 1 20 . 1 1 57 57 ASN H H 48 8.228 8.228 8.570 -0.342 18219
10131 1 20 . 1 1 58 58 ASP N N 49 120.276 120.276 118.040 2.236 18219
10132 1 20 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.608 -0.078 18219
10133 1 20 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.659 -0.457 18219
10134 1 20 . 1 1 58 58 ASP CB C 49 40.374 40.374 42.005 -1.631 18219
10135 1 20 . 1 1 58 58 ASP H H 49 8.192 8.192 8.122 0.070 18219
10136 1 20 . 1 1 59 59 LYS N N 50 120.660 120.660 121.369 -0.709 18219
10137 1 20 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.364 -0.164 18219
10138 1 20 . 1 1 59 59 LYS C C 50 173.474 173.474 176.812 -3.338 18219
10139 1 20 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.501 0.799 18219
10140 1 20 . 1 1 59 59 LYS CB C 50 32.034 32.034 33.012 -0.978 18219
10141 1 20 . 1 1 59 59 LYS H H 50 8.003 8.003 8.013 -0.010 18219
10142 1 20 . 1 1 60 60 ARG N N 51 121.278 121.278 122.563 -1.285 18219
10143 1 20 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.073 0.127 18219
10144 1 20 . 1 1 60 60 ARG C C 51 173.303 173.303 176.067 -2.764 18219
10145 1 20 . 1 1 60 60 ARG CA C 51 56.283 56.283 58.371 -2.088 18219
10146 1 20 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.571 -0.333 18219
10147 1 20 . 1 1 60 60 ARG H H 51 8.091 8.091 8.604 -0.513 18219
10148 1 20 . 1 1 61 61 ASP N N 52 121.185 121.185 111.803 9.382 18219
10149 1 20 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.599 0.016 18219
10150 1 20 . 1 1 61 61 ASP C C 52 173.777 173.777 176.879 -3.102 18219
10151 1 20 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.098 -1.119 18219
10152 1 20 . 1 1 61 61 ASP CB C 52 40.245 40.245 40.731 -0.486 18219
10153 1 20 . 1 1 61 61 ASP H H 52 8.261 8.261 8.004 0.257 18219
10154 1 20 . 1 1 62 62 VAL N N 53 121.902 121.902 121.170 0.732 18219
10155 1 20 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.072 -0.122 18219
10156 1 20 . 1 1 62 62 VAL C C 53 173.279 173.279 177.021 -3.742 18219
10157 1 20 . 1 1 62 62 VAL CA C 53 63.176 63.176 64.237 -1.061 18219
10158 1 20 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.958 0.141 18219
10159 1 20 . 1 1 62 62 VAL H H 53 7.997 7.997 8.125 -0.128 18219
10160 1 20 . 1 1 63 63 LYS N N 54 123.522 123.522 121.294 2.228 18219
10161 1 20 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.156 0.104 18219
10162 1 20 . 1 1 63 63 LYS C C 54 174.481 174.481 178.723 -4.242 18219
10163 1 20 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.382 -3.035 18219
10164 1 20 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.936 0.163 18219
10165 1 20 . 1 1 63 63 LYS H H 54 8.054 8.054 8.428 -0.374 18219
10166 1 20 . 1 1 64 64 VAL N N 55 120.647 120.647 118.275 2.372 18219
10167 1 20 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.956 -0.009 18219
10168 1 20 . 1 1 64 64 VAL C C 55 174.955 174.955 178.020 -3.065 18219
10169 1 20 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.483 -0.883 18219
10170 1 20 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.966 0.911 18219
10171 1 20 . 1 1 64 64 VAL H H 55 8.225 8.225 8.151 0.074 18219
10172 1 20 . 1 1 65 65 SER N N 56 117.785 117.785 116.210 1.575 18219
10173 1 20 . 1 1 65 65 SER HA H 56 4.390 4.390 4.217 0.173 18219
10174 1 20 . 1 1 65 65 SER C C 56 172.300 172.300 176.476 -4.176 18219
10175 1 20 . 1 1 65 65 SER CA C 56 60.000 60.000 61.820 -1.820 18219
10176 1 20 . 1 1 65 65 SER CB C 56 62.879 62.879 62.928 -0.049 18219
10177 1 20 . 1 1 65 65 SER H H 56 8.260 8.260 7.636 0.624 18219
10178 1 20 . 1 1 66 66 LEU N N 57 123.318 123.318 122.295 1.023 18219
10179 1 20 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.181 -0.091 18219
10180 1 20 . 1 1 66 66 LEU C C 57 175.932 175.932 178.335 -2.403 18219
10181 1 20 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.849 -0.347 18219
10182 1 20 . 1 1 66 66 LEU CB C 57 41.721 41.721 40.819 0.902 18219
10183 1 20 . 1 1 66 66 LEU H H 57 8.091 8.091 8.135 -0.044 18219
10184 1 20 . 1 1 67 67 PHE N N 58 118.020 118.020 119.229 -1.209 18219
10185 1 20 . 1 1 67 67 PHE HA H 58 4.330 4.330 3.898 0.432 18219
10186 1 20 . 1 1 67 67 PHE C C 58 174.912 174.912 177.882 -2.970 18219
10187 1 20 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.828 -1.228 18219
10188 1 20 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.797 -0.245 18219
10189 1 20 . 1 1 67 67 PHE H H 58 8.066 8.066 8.538 -0.472 18219
10190 1 20 . 1 1 68 68 THR N N 59 115.324 115.324 115.561 -0.237 18219
10191 1 20 . 1 1 68 68 THR HA H 59 4.310 4.310 4.231 0.079 18219
10192 1 20 . 1 1 68 68 THR C C 59 173.380 173.380 176.550 -3.170 18219
10193 1 20 . 1 1 68 68 THR CA C 59 66.313 66.313 67.106 -0.793 18219
10194 1 20 . 1 1 68 68 THR CB C 59 67.700 67.700 68.761 -1.061 18219
10195 1 20 . 1 1 68 68 THR H H 59 8.287 8.287 8.553 -0.266 18219
10196 1 20 . 1 1 69 69 ALA N N 60 123.621 123.621 124.885 -1.264 18219
10197 1 20 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.133 0.147 18219
10198 1 20 . 1 1 69 69 ALA C C 60 176.978 176.978 180.176 -3.198 18219
10199 1 20 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.287 -0.187 18219
10200 1 20 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.256 -0.528 18219
10201 1 20 . 1 1 69 69 ALA H H 60 7.983 7.983 8.209 -0.226 18219
10202 1 20 . 1 1 70 70 PHE N N 61 118.520 118.520 116.743 1.777 18219
10203 1 20 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.320 -0.060 18219
10204 1 20 . 1 1 70 70 PHE C C 61 175.369 175.369 177.604 -2.235 18219
10205 1 20 . 1 1 70 70 PHE CA C 61 60.179 60.179 60.553 -0.374 18219
10206 1 20 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.679 0.027 18219
10207 1 20 . 1 1 70 70 PHE H H 61 8.007 8.007 9.013 -1.006 18219
10208 1 20 . 1 1 71 71 PHE N N 62 122.314 122.314 121.039 1.275 18219
10209 1 20 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.193 -0.193 18219
10210 1 20 . 1 1 71 71 PHE C C 62 174.697 174.697 177.730 -3.033 18219
10211 1 20 . 1 1 71 71 PHE CA C 62 60.517 60.517 60.325 0.192 18219
10212 1 20 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.850 -0.080 18219
10213 1 20 . 1 1 71 71 PHE H H 62 8.546 8.546 7.539 1.007 18219
10214 1 20 . 1 1 72 72 LEU N N 63 119.399 119.399 119.910 -0.511 18219
10215 1 20 . 1 1 72 72 LEU HA H 63 3.870 3.870 4.006 -0.136 18219
10216 1 20 . 1 1 72 72 LEU C C 63 175.774 175.774 179.012 -3.238 18219
10217 1 20 . 1 1 72 72 LEU CA C 63 56.925 56.925 57.670 -0.745 18219
10218 1 20 . 1 1 72 72 LEU CB C 63 41.207 41.207 40.683 0.524 18219
10219 1 20 . 1 1 72 72 LEU H H 63 8.396 8.396 9.003 -0.607 18219
10220 1 20 . 1 1 73 73 ALA N N 64 120.221 120.221 121.490 -1.269 18219
10221 1 20 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.963 -0.003 18219
10222 1 20 . 1 1 73 73 ALA C C 64 177.267 177.267 179.711 -2.444 18219
10223 1 20 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.429 -0.829 18219
10224 1 20 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.002 -0.218 18219
10225 1 20 . 1 1 73 73 ALA H H 64 8.025 8.025 8.333 -0.308 18219
10226 1 20 . 1 1 74 74 THR N N 65 113.648 113.648 114.039 -0.391 18219
10227 1 20 . 1 1 74 74 THR HA H 65 3.980 3.980 4.139 -0.159 18219
10228 1 20 . 1 1 74 74 THR CA C 65 66.291 66.291 65.844 0.447 18219
10229 1 20 . 1 1 74 74 THR CB C 65 67.914 67.914 68.875 -0.961 18219
10230 1 20 . 1 1 74 74 THR H H 65 7.717 7.717 7.841 -0.124 18219
10231 1 20 . 1 1 75 75 ILE N N 66 120.291 120.291 121.876 -1.585 18219
10232 1 20 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.747 -0.007 18219
10233 1 20 . 1 1 75 75 ILE C C 66 174.951 174.951 177.434 -2.483 18219
10234 1 20 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.540 0.340 18219
10235 1 20 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.295 -1.129 18219
10236 1 20 . 1 1 75 75 ILE H H 66 7.738 7.738 8.250 -0.512 18219
10237 1 20 . 1 1 76 76 MET N N 67 117.618 117.618 117.142 0.476 18219
10238 1 20 . 1 1 76 76 MET HA H 67 4.220 4.220 4.294 -0.074 18219
10239 1 20 . 1 1 76 76 MET C C 67 175.142 175.142 177.129 -1.987 18219
10240 1 20 . 1 1 76 76 MET CA C 67 56.723 56.723 58.188 -1.466 18219
10241 1 20 . 1 1 76 76 MET CB C 67 31.951 31.951 33.842 -1.891 18219
10242 1 20 . 1 1 76 76 MET H H 67 7.823 7.823 8.504 -0.681 18219
10243 1 20 . 1 1 77 77 GLY N N 68 107.110 107.110 103.694 3.416 18219
10244 1 20 . 1 1 77 77 GLY C C 68 172.260 172.260 174.402 -2.142 18219
10245 1 20 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.828 0.972 18219
10246 1 20 . 1 1 77 77 GLY H H 68 7.937 7.937 7.970 -0.033 18219
10247 1 20 . 1 1 78 78 VAL N N 69 120.431 120.431 119.682 0.749 18219
10248 1 20 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.072 0.148 18219
10249 1 20 . 1 1 78 78 VAL CA C 69 63.900 63.900 62.316 1.584 18219
10250 1 20 . 1 1 78 78 VAL CB C 69 31.506 31.506 32.732 -1.226 18219
10251 1 20 . 1 1 78 78 VAL H H 69 7.697 7.697 8.656 -0.959 18219
10252 1 20 . 1 1 79 79 ARG N N 70 121.420 121.420 119.702 1.718 18219
10253 1 20 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.233 -0.423 18219
10254 1 20 . 1 1 79 79 ARG CA C 70 56.400 56.400 57.115 -0.715 18219
10255 1 20 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.985 -0.888 18219
10256 1 20 . 1 1 79 79 ARG H H 70 7.889 7.889 7.468 0.421 18219
10257 1 20 . 1 1 80 80 PHE N N 71 119.949 119.949 122.212 -2.263 18219
10258 1 20 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.520 -0.010 18219
10259 1 20 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.751 -0.151 18219
10260 1 20 . 1 1 80 80 PHE CB C 71 39.145 39.145 40.740 -1.595 18219
10261 1 20 . 1 1 80 80 PHE H H 71 8.101 8.101 8.502 -0.401 18219
10262 1 20 . 1 1 81 81 LYS N N 72 122.193 122.193 121.545 0.648 18219
10263 1 20 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.088 0.712 18219
10264 1 20 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.839 -2.517 18219
10265 1 20 . 1 1 81 81 LYS H H 72 8.090 8.090 8.207 -0.117 18219
10266 1 20 . 1 1 82 82 ARG N N 73 119.650 119.650 122.962 -3.312 18219
10267 1 20 . 1 1 82 82 ARG CA C 73 56.089 56.089 57.070 -0.981 18219
10268 1 20 . 1 1 82 82 ARG CB C 73 30.171 30.171 29.227 0.944 18219
10269 1 20 . 1 1 82 82 ARG H H 73 8.052 8.052 8.405 -0.353 18219
10270 1 20 . 1 1 83 83 SER N N 74 115.734 115.734 118.079 -2.345 18219
10271 1 20 . 1 1 83 83 SER CA C 74 58.355 58.355 57.749 0.606 18219
10272 1 20 . 1 1 83 83 SER CB C 74 63.404 63.404 65.316 -1.912 18219
10273 1 20 . 1 1 83 83 SER H H 74 7.912 7.912 7.971 -0.059 18219
10274 1 20 . 1 1 84 84 LYS N N 75 122.370 122.370 125.440 -3.070 18219
10275 1 20 . 1 1 84 84 LYS CA C 75 56.135 56.135 57.985 -1.850 18219
10276 1 20 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.079 0.096 18219
10277 1 20 . 1 1 84 84 LYS H H 75 8.067 8.067 8.809 -0.742 18219
10278 1 20 . 1 1 86 86 ILE N N 77 119.592 119.592 117.199 2.393 18219
10279 1 20 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.011 -0.201 18219
10280 1 20 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.021 2.879 18219
10281 1 20 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.545 0.600 18219
10282 1 20 . 1 1 86 86 ILE H H 77 7.837 7.837 8.647 -0.810 18219
10283 1 20 . 1 1 87 87 MET N N 78 121.645 121.645 119.436 2.209 18219
10284 1 20 . 1 1 87 87 MET CA C 78 52.982 52.982 59.887 -6.905 18219
10285 1 20 . 1 1 87 87 MET CB C 78 32.173 32.173 30.835 1.338 18219
10286 1 20 . 1 1 87 87 MET H H 78 7.950 7.950 8.314 -0.364 18219
10287 1 20 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.331 -0.191 18219
10288 1 20 . 1 1 88 88 PRO C C 79 173.921 173.921 177.990 -4.069 18219
10289 1 20 . 1 1 88 88 PRO CA C 79 62.800 62.800 64.797 -1.998 18219
10290 1 20 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.595 -0.459 18219
10291 1 20 . 1 1 89 89 ALA N N 80 124.431 124.431 119.313 5.118 18219
10292 1 20 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.901 0.499 18219
10293 1 20 . 1 1 89 89 ALA C C 80 176.234 176.234 179.651 -3.417 18219
10294 1 20 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.312 -1.012 18219
10295 1 20 . 1 1 89 89 ALA CB C 80 18.498 18.498 16.976 1.522 18219
10296 1 20 . 1 1 89 89 ALA H H 80 8.320 8.320 8.535 -0.215 18219
10297 1 20 . 1 1 90 90 GLY N N 81 106.834 106.834 106.853 -0.019 18219
10298 1 20 . 1 1 90 90 GLY C C 81 172.398 172.398 175.754 -3.356 18219
10299 1 20 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.479 -0.879 18219
10300 1 20 . 1 1 90 90 GLY H H 81 8.458 8.458 8.641 -0.183 18219
10301 1 20 . 1 1 91 91 LEU N N 82 121.043 121.043 122.008 -0.965 18219
10302 1 20 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.075 0.125 18219
10303 1 20 . 1 1 91 91 LEU C C 82 174.783 174.783 178.733 -3.950 18219
10304 1 20 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.285 -1.985 18219
10305 1 20 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.771 0.335 18219
10306 1 20 . 1 1 91 91 LEU H H 82 7.687 7.687 8.230 -0.543 18219
10307 1 20 . 1 1 92 92 VAL N N 83 114.737 114.737 115.262 -0.525 18219
10308 1 20 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.630 0.350 18219
10309 1 20 . 1 1 92 92 VAL C C 83 173.634 173.634 177.620 -3.986 18219
10310 1 20 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.174 -3.774 18219
10311 1 20 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.074 0.511 18219
10312 1 20 . 1 1 92 92 VAL H H 83 7.602 7.602 7.787 -0.185 18219
10313 1 20 . 1 1 93 93 ALA N N 84 124.320 124.320 121.350 2.970 18219
10314 1 20 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.028 0.122 18219
10315 1 20 . 1 1 93 93 ALA C C 84 175.746 175.746 179.706 -3.960 18219
10316 1 20 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.367 -2.067 18219
10317 1 20 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.900 0.341 18219
10318 1 20 . 1 1 93 93 ALA H H 84 7.891 7.891 8.252 -0.361 18219
10319 1 20 . 1 1 94 94 GLY N N 85 106.807 106.807 107.030 -0.223 18219
10320 1 20 . 1 1 94 94 GLY C C 85 171.752 171.752 175.968 -4.216 18219
10321 1 20 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.502 -1.253 18219
10322 1 20 . 1 1 94 94 GLY H H 85 8.204 8.204 8.176 0.028 18219
10323 1 20 . 1 1 95 95 LEU N N 86 121.266 121.266 122.519 -1.253 18219
10324 1 20 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.153 0.227 18219
10325 1 20 . 1 1 95 95 LEU C C 86 173.702 173.702 178.883 -5.181 18219
10326 1 20 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.559 -2.559 18219
10327 1 20 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.120 1.178 18219
10328 1 20 . 1 1 95 95 LEU H H 86 7.718 7.718 7.943 -0.225 18219
10329 1 20 . 1 1 96 96 SER N N 87 115.658 115.658 115.354 0.304 18219
10330 1 20 . 1 1 96 96 SER HA H 87 4.370 4.370 4.203 0.167 18219
10331 1 20 . 1 1 96 96 SER C C 87 172.479 172.479 176.859 -4.380 18219
10332 1 20 . 1 1 96 96 SER CA C 87 57.200 57.200 61.807 -4.607 18219
10333 1 20 . 1 1 96 96 SER CB C 87 64.174 64.174 63.124 1.050 18219
10334 1 20 . 1 1 96 96 SER H H 87 7.659 7.659 8.185 -0.526 18219
10335 1 20 . 1 1 97 97 LEU N N 88 123.720 123.720 122.790 0.930 18219
10336 1 20 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.022 0.578 18219
10337 1 20 . 1 1 97 97 LEU C C 88 175.932 175.932 178.986 -3.054 18219
10338 1 20 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.953 -0.353 18219
10339 1 20 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.062 -0.662 18219
10340 1 20 . 1 1 97 97 LEU H H 88 8.733 8.733 8.121 0.612 18219
10341 1 20 . 1 1 98 98 MET N N 89 116.684 116.684 119.425 -2.741 18219
10342 1 20 . 1 1 98 98 MET HA H 89 4.280 4.280 4.181 0.099 18219
10343 1 20 . 1 1 98 98 MET C C 89 175.789 175.789 177.933 -2.144 18219
10344 1 20 . 1 1 98 98 MET CA C 89 56.915 56.915 58.813 -1.898 18219
10345 1 20 . 1 1 98 98 MET CB C 89 31.007 31.007 32.776 -1.769 18219
10346 1 20 . 1 1 98 98 MET H H 89 8.342 8.342 8.269 0.073 18219
10347 1 20 . 1 1 99 99 MET N N 90 119.182 119.182 118.021 1.161 18219
10348 1 20 . 1 1 99 99 MET HA H 90 4.110 4.110 4.246 -0.136 18219
10349 1 20 . 1 1 99 99 MET C C 90 175.588 175.588 178.678 -3.090 18219
10350 1 20 . 1 1 99 99 MET CA C 90 57.951 57.951 58.556 -0.605 18219
10351 1 20 . 1 1 99 99 MET CB C 90 32.226 32.226 31.982 0.244 18219
10352 1 20 . 1 1 99 99 MET H H 90 7.720 7.720 8.171 -0.451 18219
10353 1 20 . 1 1 100 100 ILE N N 91 119.077 119.077 120.369 -1.292 18219
10354 1 20 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.996 0.114 18219
10355 1 20 . 1 1 100 100 ILE C C 91 174.634 174.634 176.818 -2.184 18219
10356 1 20 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.328 -0.228 18219
10357 1 20 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.901 -1.758 18219
10358 1 20 . 1 1 100 100 ILE H H 91 7.662 7.662 8.199 -0.537 18219
10359 1 20 . 1 1 101 101 LEU N N 92 119.646 119.646 118.747 0.899 18219
10360 1 20 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.231 0.299 18219
10361 1 20 . 1 1 101 101 LEU C C 92 175.430 175.430 177.686 -2.256 18219
10362 1 20 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.262 0.538 18219
10363 1 20 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.498 -0.740 18219
10364 1 20 . 1 1 101 101 LEU H H 92 8.142 8.142 7.661 0.481 18219
10365 1 20 . 1 1 102 102 ARG N N 93 116.394 116.394 118.108 -1.714 18219
10366 1 20 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.452 -0.312 18219
10367 1 20 . 1 1 102 102 ARG C C 93 175.961 175.961 178.317 -2.356 18219
10368 1 20 . 1 1 102 102 ARG CA C 93 59.100 59.100 57.924 1.176 18219
10369 1 20 . 1 1 102 102 ARG CB C 93 29.404 29.404 31.388 -1.984 18219
10370 1 20 . 1 1 102 102 ARG H H 93 7.893 7.893 8.226 -0.333 18219
10371 1 20 . 1 1 103 103 LEU N N 94 119.114 119.114 122.273 -3.159 18219
10372 1 20 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.155 -0.045 18219
10373 1 20 . 1 1 103 103 LEU C C 94 175.889 175.889 178.883 -2.994 18219
10374 1 20 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.459 -0.159 18219
10375 1 20 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.897 -0.601 18219
10376 1 20 . 1 1 103 103 LEU H H 94 7.622 7.622 7.967 -0.345 18219
10377 1 20 . 1 1 104 104 VAL N N 95 117.704 117.704 120.130 -2.426 18219
10378 1 20 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.779 -0.249 18219
10379 1 20 . 1 1 104 104 VAL C C 95 175.042 175.042 177.175 -2.133 18219
10380 1 20 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.881 0.538 18219
10381 1 20 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.649 -0.292 18219
10382 1 20 . 1 1 104 104 VAL H H 95 8.026 8.026 7.700 0.326 18219
10383 1 20 . 1 1 105 105 LEU N N 96 117.185 117.185 115.078 2.107 18219
10384 1 20 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.643 -0.663 18219
10385 1 20 . 1 1 105 105 LEU C C 96 176.579 176.579 176.657 -0.078 18219
10386 1 20 . 1 1 105 105 LEU CA C 96 56.800 56.800 53.950 2.850 18219
10387 1 20 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.847 -0.896 18219
10388 1 20 . 1 1 105 105 LEU H H 96 7.893 7.893 7.786 0.107 18219
10389 1 20 . 1 1 106 106 LEU N N 97 118.471 118.471 120.006 -1.535 18219
10390 1 20 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.947 0.233 18219
10391 1 20 . 1 1 106 106 LEU C C 97 175.802 175.802 176.132 -0.330 18219
10392 1 20 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.389 0.911 18219
10393 1 20 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.341 1.251 18219
10394 1 20 . 1 1 106 106 LEU H H 97 7.545 7.545 7.616 -0.071 18219
10395 1 20 . 1 1 107 107 LEU N N 98 118.162 118.162 113.442 4.720 18219
10396 1 20 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.843 0.387 18219
10397 1 20 . 1 1 107 107 LEU C C 98 174.174 174.174 176.912 -2.738 18219
10398 1 20 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.280 1.003 18219
10399 1 20 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.235 3.127 18219
10400 1 20 . 1 1 107 107 LEU H H 98 7.688 7.688 7.661 0.027 18219
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 2.066 -0.002 2.077 18219
2 1 1 "Average Difference" HA 100 0.248 -0.096 0.230 18219
3 1 1 "Average Difference" C 81 2.880 2.694 1.023 18219
4 1 1 "Average Difference" CA 96 1.669 0.772 1.487 18219
5 1 1 "Average Difference" CB 81 3.768 -0.124 3.790 18219
6 1 1 "Average Difference" HN 94 0.360 0.143 0.332 18219
7 1 2 "Average Difference" N 94 2.246 -0.185 2.250 18219
8 1 2 "Average Difference" HA 100 0.247 -0.075 0.237 18219
9 1 2 "Average Difference" C 81 2.866 2.629 1.148 18219
10 1 2 "Average Difference" CA 96 1.665 0.753 1.493 18219
11 1 2 "Average Difference" CB 81 3.753 -0.072 3.776 18219
12 1 2 "Average Difference" HN 94 0.371 0.112 0.356 18219
13 1 3 "Average Difference" N 94 1.988 -0.089 1.996 18219
14 1 3 "Average Difference" HA 100 0.234 -0.064 0.226 18219
15 1 3 "Average Difference" C 81 2.799 2.586 1.077 18219
16 1 3 "Average Difference" CA 96 1.667 0.721 1.511 18219
17 1 3 "Average Difference" CB 81 3.768 -0.116 3.790 18219
18 1 3 "Average Difference" HN 94 0.326 0.110 0.308 18219
19 1 4 "Average Difference" N 94 2.091 -0.325 2.077 18219
20 1 4 "Average Difference" HA 100 0.247 -0.100 0.227 18219
21 1 4 "Average Difference" C 81 2.845 2.632 1.087 18219
22 1 4 "Average Difference" CA 96 1.551 0.831 1.316 18219
23 1 4 "Average Difference" CB 81 3.736 -0.174 3.756 18219
24 1 4 "Average Difference" HN 94 0.339 0.121 0.319 18219
25 1 5 "Average Difference" N 94 2.054 0.021 2.065 18219
26 1 5 "Average Difference" HA 100 0.258 -0.071 0.249 18219
27 1 5 "Average Difference" C 81 2.843 2.619 1.112 18219
28 1 5 "Average Difference" CA 96 1.617 0.772 1.429 18219
29 1 5 "Average Difference" CB 81 3.721 -0.094 3.743 18219
30 1 5 "Average Difference" HN 94 0.403 0.160 0.371 18219
31 1 6 "Average Difference" N 94 2.213 -0.162 2.219 18219
32 1 6 "Average Difference" HA 100 0.258 -0.100 0.239 18219
33 1 6 "Average Difference" C 81 2.812 2.566 1.157 18219
34 1 6 "Average Difference" CA 96 1.618 0.790 1.419 18219
35 1 6 "Average Difference" CB 81 3.751 -0.220 3.768 18219
36 1 6 "Average Difference" HN 94 0.408 0.172 0.372 18219
37 1 7 "Average Difference" N 94 2.165 -0.104 2.174 18219
38 1 7 "Average Difference" HA 100 0.231 -0.064 0.223 18219
39 1 7 "Average Difference" C 81 2.814 2.605 1.071 18219
40 1 7 "Average Difference" CA 96 1.623 0.822 1.407 18219
41 1 7 "Average Difference" CB 81 3.727 -0.182 3.745 18219
42 1 7 "Average Difference" HN 94 0.408 0.148 0.382 18219
43 1 8 "Average Difference" N 94 2.179 -0.147 2.186 18219
44 1 8 "Average Difference" HA 100 0.256 -0.102 0.235 18219
45 1 8 "Average Difference" C 81 2.864 2.660 1.069 18219
46 1 8 "Average Difference" CA 96 1.638 0.755 1.461 18219
47 1 8 "Average Difference" CB 81 3.744 -0.145 3.765 18219
48 1 8 "Average Difference" HN 94 0.354 0.107 0.340 18219
49 1 9 "Average Difference" N 94 2.260 -0.240 2.260 18219
50 1 9 "Average Difference" HA 100 0.255 -0.094 0.239 18219
51 1 9 "Average Difference" C 81 2.893 2.696 1.055 18219
52 1 9 "Average Difference" CA 96 1.636 0.772 1.450 18219
53 1 9 "Average Difference" CB 81 3.763 -0.207 3.780 18219
54 1 9 "Average Difference" HN 94 0.392 0.120 0.375 18219
55 1 10 "Average Difference" N 94 2.022 -0.332 2.005 18219
56 1 10 "Average Difference" HA 100 0.246 -0.077 0.235 18219
57 1 10 "Average Difference" C 81 2.861 2.671 1.032 18219
58 1 10 "Average Difference" CA 96 1.643 0.841 1.419 18219
59 1 10 "Average Difference" CB 81 3.759 -0.222 3.776 18219
60 1 10 "Average Difference" HN 94 0.354 0.154 0.320 18219
61 1 11 "Average Difference" N 94 2.390 0.042 2.403 18219
62 1 11 "Average Difference" HA 100 0.260 -0.081 0.249 18219
63 1 11 "Average Difference" C 81 2.908 2.665 1.169 18219
64 1 11 "Average Difference" CA 96 1.677 0.784 1.490 18219
65 1 11 "Average Difference" CB 81 3.810 -0.066 3.833 18219
66 1 11 "Average Difference" HN 94 0.430 0.185 0.391 18219
67 1 12 "Average Difference" N 94 2.085 -0.472 2.042 18219
68 1 12 "Average Difference" HA 100 0.235 -0.081 0.222 18219
69 1 12 "Average Difference" C 81 2.787 2.580 1.060 18219
70 1 12 "Average Difference" CA 96 1.530 0.689 1.373 18219
71 1 12 "Average Difference" CB 81 3.740 -0.111 3.762 18219
72 1 12 "Average Difference" HN 94 0.367 0.154 0.335 18219
73 1 13 "Average Difference" N 94 2.097 0.013 2.109 18219
74 1 13 "Average Difference" HA 100 0.255 -0.084 0.242 18219
75 1 13 "Average Difference" C 81 2.856 2.611 1.164 18219
76 1 13 "Average Difference" CA 96 1.660 0.820 1.451 18219
77 1 13 "Average Difference" CB 81 3.723 -0.181 3.742 18219
78 1 13 "Average Difference" HN 94 0.375 0.125 0.355 18219
79 1 14 "Average Difference" N 94 2.039 -0.047 2.049 18219
80 1 14 "Average Difference" HA 100 0.242 -0.058 0.236 18219
81 1 14 "Average Difference" C 81 2.808 2.587 1.098 18219
82 1 14 "Average Difference" CA 96 1.600 0.732 1.430 18219
83 1 14 "Average Difference" CB 81 3.728 -0.047 3.751 18219
84 1 14 "Average Difference" HN 94 0.380 0.126 0.360 18219
85 1 15 "Average Difference" N 94 2.175 -0.082 2.185 18219
86 1 15 "Average Difference" HA 100 0.224 -0.058 0.218 18219
87 1 15 "Average Difference" C 81 2.796 2.550 1.155 18219
88 1 15 "Average Difference" CA 96 1.528 0.666 1.383 18219
89 1 15 "Average Difference" CB 81 3.736 -0.172 3.755 18219
90 1 15 "Average Difference" HN 94 0.383 0.163 0.349 18219
91 1 16 "Average Difference" N 94 1.830 -0.174 1.831 18219
92 1 16 "Average Difference" HA 100 0.224 -0.078 0.210 18219
93 1 16 "Average Difference" C 81 2.861 2.657 1.066 18219
94 1 16 "Average Difference" CA 96 1.635 0.789 1.439 18219
95 1 16 "Average Difference" CB 81 3.830 -0.175 3.850 18219
96 1 16 "Average Difference" HN 94 0.367 0.141 0.340 18219
97 1 17 "Average Difference" N 94 2.001 -0.278 1.992 18219
98 1 17 "Average Difference" HA 100 0.249 -0.093 0.232 18219
99 1 17 "Average Difference" C 81 2.874 2.646 1.130 18219
100 1 17 "Average Difference" CA 96 1.597 0.789 1.396 18219
101 1 17 "Average Difference" CB 81 3.747 -0.184 3.766 18219
102 1 17 "Average Difference" HN 94 0.384 0.132 0.362 18219
103 1 18 "Average Difference" N 94 1.947 -0.040 1.957 18219
104 1 18 "Average Difference" HA 100 0.263 -0.078 0.252 18219
105 1 18 "Average Difference" C 81 2.807 2.615 1.027 18219
106 1 18 "Average Difference" CA 96 1.690 0.825 1.483 18219
107 1 18 "Average Difference" CB 81 3.764 -0.162 3.784 18219
108 1 18 "Average Difference" HN 94 0.407 0.180 0.367 18219
109 1 19 "Average Difference" N 94 2.163 -0.254 2.159 18219
110 1 19 "Average Difference" HA 100 0.232 -0.086 0.217 18219
111 1 19 "Average Difference" C 81 2.852 2.628 1.116 18219
112 1 19 "Average Difference" CA 96 1.570 0.756 1.384 18219
113 1 19 "Average Difference" CB 81 3.750 -0.116 3.772 18219
114 1 19 "Average Difference" HN 94 0.348 0.160 0.311 18219
115 1 20 "Average Difference" N 94 2.171 -0.162 2.177 18219
116 1 20 "Average Difference" HA 100 0.218 -0.044 0.214 18219
117 1 20 "Average Difference" C 81 2.843 2.594 1.171 18219
118 1 20 "Average Difference" CA 96 1.494 0.608 1.372 18219
119 1 20 "Average Difference" CB 81 3.785 -0.211 3.803 18219
120 1 20 "Average Difference" HN 94 0.408 0.168 0.374 18219
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 18219
_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 2 120.536 120.536 121.541 -1.005 18219
2 1 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.282 1.636 18219
3 1 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.816 -3.857 18219
4 1 . 1 1 11 11 ASP H H 2 7.863 7.863 8.304 -0.441 18219
5 1 . 1 1 12 12 LEU N N 3 121.414 121.414 122.513 -1.099 18219
6 1 . 1 1 12 12 LEU C C 3 176.162 176.162 178.813 -2.651 18219
7 1 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.170 1.430 18219
8 1 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.306 -0.649 18219
9 1 . 1 1 12 12 LEU H H 3 8.285 8.285 8.193 0.092 18219
10 1 . 1 1 13 13 ILE N N 4 118.854 118.854 118.380 0.474 18219
11 1 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.829 -0.089 18219
12 1 . 1 1 13 13 ILE C C 4 175.228 175.228 177.747 -2.519 18219
13 1 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.415 1.085 18219
14 1 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.095 -0.993 18219
15 1 . 1 1 13 13 ILE H H 4 8.031 8.031 7.916 0.115 18219
16 1 . 1 1 14 14 GLY N N 5 107.478 107.478 106.566 0.912 18219
17 1 . 1 1 14 14 GLY C C 5 174.424 174.424 175.835 -1.411 18219
18 1 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.623 0.436 18219
19 1 . 1 1 14 14 GLY H H 5 8.148 8.148 8.296 -0.148 18219
20 1 . 1 1 15 15 PHE N N 6 122.774 122.774 123.632 -0.858 18219
21 1 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.318 0.162 18219
22 1 . 1 1 15 15 PHE C C 6 175.113 175.113 177.118 -2.005 18219
23 1 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.654 -1.637 18219
24 1 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.625 0.149 18219
25 1 . 1 1 15 15 PHE H H 6 8.194 8.194 8.310 -0.116 18219
26 1 . 1 1 16 16 GLY N N 7 107.938 107.938 106.628 1.310 18219
27 1 . 1 1 16 16 GLY C C 7 171.838 171.838 175.676 -3.838 18219
28 1 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.526 -0.426 18219
29 1 . 1 1 16 16 GLY H H 7 8.697 8.697 8.597 0.100 18219
30 1 . 1 1 17 17 TYR N N 8 121.785 121.785 123.346 -1.561 18219
31 1 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.129 0.021 18219
32 1 . 1 1 17 17 TYR C C 8 174.180 174.180 177.627 -3.447 18219
33 1 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.083 0.217 18219
34 1 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.337 -0.378 18219
35 1 . 1 1 17 17 TYR H H 8 8.710 8.710 8.193 0.517 18219
36 1 . 1 1 18 18 ALA N N 9 120.233 120.233 120.329 -0.096 18219
37 1 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.971 -0.021 18219
38 1 . 1 1 18 18 ALA C C 9 178.059 178.059 178.969 -0.910 18219
39 1 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.526 0.346 18219
40 1 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.868 -0.306 18219
41 1 . 1 1 18 18 ALA H H 9 7.843 7.843 8.282 -0.439 18219
42 1 . 1 1 19 19 ALA N N 10 121.797 121.797 122.954 -1.157 18219
43 1 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.978 -0.028 18219
44 1 . 1 1 19 19 ALA C C 10 176.191 176.191 179.436 -3.245 18219
45 1 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.908 -0.309 18219
46 1 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.298 -0.736 18219
47 1 . 1 1 19 19 ALA H H 10 8.212 8.212 8.041 0.171 18219
48 1 . 1 1 20 20 LEU N N 11 119.442 119.442 117.481 1.961 18219
49 1 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.994 -0.057 18219
50 1 . 1 1 20 20 LEU C C 11 176.694 176.694 178.846 -2.152 18219
51 1 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.929 -0.129 18219
52 1 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.041 0.181 18219
53 1 . 1 1 20 20 LEU H H 11 8.065 8.065 8.184 -0.119 18219
54 1 . 1 1 21 21 VAL N N 12 118.323 118.323 120.395 -2.072 18219
55 1 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.537 0.103 18219
56 1 . 1 1 21 21 VAL C C 12 176.536 176.536 178.505 -1.969 18219
57 1 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.836 -1.436 18219
58 1 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.769 0.366 18219
59 1 . 1 1 21 21 VAL H H 12 8.051 8.051 8.342 -0.291 18219
60 1 . 1 1 22 22 THR N N 13 118.298 118.298 116.574 1.724 18219
61 1 . 1 1 22 22 THR HA H 13 4.660 4.660 4.027 0.634 18219
62 1 . 1 1 22 22 THR C C 13 173.734 173.734 176.578 -2.844 18219
63 1 . 1 1 22 22 THR CA C 13 66.300 66.300 66.748 -0.448 18219
64 1 . 1 1 22 22 THR CB C 13 67.775 67.775 68.523 -0.748 18219
65 1 . 1 1 22 22 THR H H 13 7.944 7.944 8.008 -0.064 18219
66 1 . 1 1 23 23 PHE N N 14 121.328 121.328 122.487 -1.159 18219
67 1 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.225 0.115 18219
68 1 . 1 1 23 23 PHE C C 14 174.783 174.783 177.314 -2.531 18219
69 1 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.649 -1.149 18219
70 1 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.871 -0.245 18219
71 1 . 1 1 23 23 PHE H H 14 8.567 8.567 8.417 0.150 18219
72 1 . 1 1 24 24 GLY N N 15 106.871 106.871 105.283 1.588 18219
73 1 . 1 1 24 24 GLY C C 15 172.858 172.858 176.580 -3.722 18219
74 1 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.214 -0.314 18219
75 1 . 1 1 24 24 GLY H H 15 8.475 8.475 8.957 -0.482 18219
76 1 . 1 1 25 25 SER N N 16 116.214 116.214 117.779 -1.565 18219
77 1 . 1 1 25 25 SER HA H 16 4.280 4.280 4.297 -0.017 18219
78 1 . 1 1 25 25 SER CA C 16 60.300 60.300 61.648 -1.348 18219
79 1 . 1 1 25 25 SER CB C 16 62.879 62.879 63.206 -0.327 18219
80 1 . 1 1 25 25 SER H H 16 7.963 7.963 7.946 0.017 18219
81 1 . 1 1 26 26 ILE N N 17 121.024 121.024 121.863 -0.839 18219
82 1 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.780 0.166 18219
83 1 . 1 1 26 26 ILE C C 17 173.935 173.935 178.066 -4.131 18219
84 1 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.354 -1.254 18219
85 1 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.828 0.278 18219
86 1 . 1 1 26 26 ILE H H 17 7.676 7.676 8.020 -0.344 18219
87 1 . 1 1 27 27 PHE N N 18 117.142 117.142 118.964 -1.822 18219
88 1 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.054 0.376 18219
89 1 . 1 1 27 27 PHE C C 18 173.504 173.504 176.903 -3.399 18219
90 1 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.655 -2.154 18219
91 1 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.054 -0.280 18219
92 1 . 1 1 27 27 PHE H H 18 7.703 7.703 8.237 -0.534 18219
93 1 . 1 1 28 28 GLY N N 19 107.303 107.303 106.184 1.119 18219
94 1 . 1 1 28 28 GLY C C 19 171.593 171.593 174.117 -2.524 18219
95 1 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.482 0.118 18219
96 1 . 1 1 28 28 GLY H H 19 7.722 7.722 7.794 -0.072 18219
97 1 . 1 1 29 29 TYR N N 20 119.862 119.862 118.891 0.971 18219
98 1 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.210 0.182 18219
99 1 . 1 1 29 29 TYR C C 20 173.174 173.174 175.286 -2.112 18219
100 1 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.048 0.452 18219
101 1 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.960 0.445 18219
102 1 . 1 1 29 29 TYR H H 20 7.880 7.880 8.084 -0.204 18219
103 1 . 1 1 30 30 LYS N N 21 122.335 122.335 123.727 -1.392 18219
104 1 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.023 0.367 18219
105 1 . 1 1 30 30 LYS C C 21 173.547 173.547 176.534 -2.987 18219
106 1 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.511 -1.711 18219
107 1 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.827 -0.431 18219
108 1 . 1 1 30 30 LYS H H 21 7.934 7.934 8.314 -0.380 18219
109 1 . 1 1 31 31 ARG N N 22 120.612 120.612 122.162 -1.550 18219
110 1 . 1 1 31 31 ARG C C 22 173.547 173.547 175.974 -2.427 18219
111 1 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.991 -0.157 18219
112 1 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.644 -0.543 18219
113 1 . 1 1 31 31 ARG H H 22 7.905 7.905 8.459 -0.554 18219
114 1 . 1 1 32 32 ARG N N 23 121.748 121.748 122.151 -0.403 18219
115 1 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.328 -0.018 18219
116 1 . 1 1 32 32 ARG C C 23 173.863 173.863 176.478 -2.615 18219
117 1 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.846 -1.046 18219
118 1 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.677 -0.432 18219
119 1 . 1 1 32 32 ARG H H 23 8.175 8.175 8.493 -0.318 18219
120 1 . 1 1 33 33 GLY N N 24 109.528 109.528 105.728 3.800 18219
121 1 . 1 1 33 33 GLY C C 24 171.752 171.752 173.493 -1.741 18219
122 1 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.585 0.315 18219
123 1 . 1 1 33 33 GLY H H 24 8.264 8.264 8.112 0.152 18219
124 1 . 1 1 34 34 GLY N N 25 108.563 108.563 108.643 -0.080 18219
125 1 . 1 1 34 34 GLY C C 25 171.701 171.701 174.536 -2.835 18219
126 1 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.777 -0.177 18219
127 1 . 1 1 34 34 GLY H H 25 8.208 8.208 8.034 0.174 18219
128 1 . 1 1 35 35 VAL N N 26 121.164 121.164 121.519 -0.355 18219
129 1 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.009 0.001 18219
130 1 . 1 1 35 35 VAL C C 26 175.888 175.888 175.460 0.428 18219
131 1 . 1 1 35 35 VAL CA C 26 63.900 63.900 64.550 -0.650 18219
132 1 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.223 -0.533 18219
133 1 . 1 1 35 35 VAL H H 26 8.485 8.485 8.211 0.274 18219
134 1 . 1 1 36 36 PRO C C 27 177.660 177.660 176.091 1.569 18219
135 1 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.080 -1.233 18219
136 1 . 1 1 37 37 SER N N 28 116.023 116.023 115.175 0.848 18219
137 1 . 1 1 37 37 SER HA H 28 4.280 4.280 4.509 -0.229 18219
138 1 . 1 1 37 37 SER CA C 28 61.100 61.100 59.782 1.318 18219
139 1 . 1 1 37 37 SER H H 28 7.948 7.948 8.372 -0.424 18219
140 1 . 1 1 38 38 LEU N N 29 124.029 124.029 121.652 2.377 18219
141 1 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.068 0.102 18219
142 1 . 1 1 38 38 LEU C C 29 176.132 176.132 178.555 -2.423 18219
143 1 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.155 -0.655 18219
144 1 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.819 1.219 18219
145 1 . 1 1 38 38 LEU H H 29 8.201 8.201 7.806 0.395 18219
146 1 . 1 1 39 39 ILE N N 30 117.098 117.098 118.810 -1.712 18219
147 1 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.806 0.564 18219
148 1 . 1 1 39 39 ILE C C 30 176.478 176.478 177.526 -1.048 18219
149 1 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.326 -0.247 18219
150 1 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.908 0.065 18219
151 1 . 1 1 39 39 ILE H H 30 7.662 7.662 8.133 -0.471 18219
152 1 . 1 1 40 40 ALA N N 31 122.447 122.447 122.489 -0.042 18219
153 1 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.068 -0.034 18219
154 1 . 1 1 40 40 ALA C C 31 177.067 177.067 179.685 -2.618 18219
155 1 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.402 0.560 18219
156 1 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.002 -0.146 18219
157 1 . 1 1 40 40 ALA H H 31 8.096 8.096 7.865 0.231 18219
158 1 . 1 1 41 41 GLY N N 32 104.056 104.056 107.688 -3.632 18219
159 1 . 1 1 41 41 GLY C C 32 174.251 174.251 175.927 -1.676 18219
160 1 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.874 -0.374 18219
161 1 . 1 1 41 41 GLY H H 32 8.123 8.123 8.191 -0.068 18219
162 1 . 1 1 42 42 LEU N N 33 123.250 123.250 123.111 0.140 18219
163 1 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.984 -0.127 18219
164 1 . 1 1 42 42 LEU C C 33 176.033 176.033 178.366 -2.333 18219
165 1 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.127 -1.459 18219
166 1 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.013 -0.292 18219
167 1 . 1 1 42 42 LEU H H 33 7.914 7.914 8.278 -0.364 18219
168 1 . 1 1 43 43 PHE N N 34 119.757 119.757 119.059 0.698 18219
169 1 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.064 0.136 18219
170 1 . 1 1 43 43 PHE C C 34 174.374 174.374 177.441 -3.067 18219
171 1 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.075 -2.199 18219
172 1 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.915 -0.081 18219
173 1 . 1 1 43 43 PHE H H 34 8.287 8.287 8.229 0.058 18219
174 1 . 1 1 44 44 VAL N N 35 117.791 117.791 118.462 -0.671 18219
175 1 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.624 -0.014 18219
176 1 . 1 1 44 44 VAL C C 35 176.205 176.205 178.552 -2.347 18219
177 1 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.667 -2.108 18219
178 1 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.126 0.306 18219
179 1 . 1 1 44 44 VAL H H 35 8.235 8.235 8.374 -0.139 18219
180 1 . 1 1 45 45 GLY N N 36 108.551 108.551 107.092 1.459 18219
181 1 . 1 1 45 45 GLY C C 36 173.749 173.749 175.796 -2.047 18219
182 1 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.143 -1.060 18219
183 1 . 1 1 45 45 GLY H H 36 8.178 8.178 8.466 -0.288 18219
184 1 . 1 1 46 46 CYS N N 37 121.173 121.173 122.379 -1.206 18219
185 1 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.111 0.069 18219
186 1 . 1 1 46 46 CYS C C 37 173.710 173.710 176.604 -2.894 18219
187 1 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.835 -0.835 18219
188 1 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.651 32.632 18219
189 1 . 1 1 46 46 CYS H H 37 8.253 8.253 8.084 0.169 18219
190 1 . 1 1 47 47 LEU N N 38 120.283 120.283 119.805 0.478 18219
191 1 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.026 0.034 18219
192 1 . 1 1 47 47 LEU C C 38 176.679 176.679 178.288 -1.609 18219
193 1 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.979 -1.952 18219
194 1 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.803 0.661 18219
195 1 . 1 1 47 47 LEU H H 38 7.965 7.965 8.392 -0.427 18219
196 1 . 1 1 48 48 ALA N N 39 122.249 122.249 122.225 0.024 18219
197 1 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.001 0.141 18219
198 1 . 1 1 48 48 ALA C C 39 177.915 177.915 179.606 -1.691 18219
199 1 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.225 -1.508 18219
200 1 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.088 -0.103 18219
201 1 . 1 1 48 48 ALA H H 39 8.066 8.066 8.109 -0.043 18219
202 1 . 1 1 49 49 GLY N N 40 107.377 107.377 107.285 0.092 18219
203 1 . 1 1 49 49 GLY C C 40 172.527 172.527 175.653 -3.126 18219
204 1 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.722 -1.272 18219
205 1 . 1 1 49 49 GLY H H 40 8.172 8.172 8.207 -0.035 18219
206 1 . 1 1 50 50 TYR N N 41 122.409 122.409 123.454 -1.045 18219
207 1 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.100 -0.301 18219
208 1 . 1 1 50 50 TYR C C 41 174.208 174.208 177.404 -3.196 18219
209 1 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.000 -1.755 18219
210 1 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.450 -0.514 18219
211 1 . 1 1 50 50 TYR H H 41 7.800 7.800 8.443 -0.643 18219
212 1 . 1 1 51 51 GLY N N 42 106.935 106.935 105.676 1.259 18219
213 1 . 1 1 51 51 GLY C C 42 172.642 172.642 175.335 -2.693 18219
214 1 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.525 0.740 18219
215 1 . 1 1 51 51 GLY H H 42 8.199 8.199 8.054 0.145 18219
216 1 . 1 1 52 52 ALA N N 43 123.018 123.018 125.062 -2.044 18219
217 1 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.042 0.108 18219
218 1 . 1 1 52 52 ALA C C 43 176.398 176.398 178.719 -2.321 18219
219 1 . 1 1 52 52 ALA CA C 43 52.883 52.883 53.992 -1.109 18219
220 1 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.573 -0.332 18219
221 1 . 1 1 52 52 ALA H H 43 7.758 7.758 7.983 -0.225 18219
222 1 . 1 1 53 53 TYR N N 44 119.664 119.664 118.092 1.572 18219
223 1 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.105 0.213 18219
224 1 . 1 1 53 53 TYR C C 44 174.180 174.180 176.723 -2.543 18219
225 1 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.708 -2.115 18219
226 1 . 1 1 53 53 TYR CB C 44 38.192 38.192 37.830 0.362 18219
227 1 . 1 1 53 53 TYR H H 44 7.920 7.920 8.216 -0.296 18219
228 1 . 1 1 54 54 ARG N N 45 119.516 119.516 118.011 1.505 18219
229 1 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.268 -0.338 18219
230 1 . 1 1 54 54 ARG C C 45 174.423 174.423 176.238 -1.815 18219
231 1 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.491 -0.463 18219
232 1 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.912 -0.739 18219
233 1 . 1 1 54 54 ARG H H 45 7.956 7.956 8.135 -0.179 18219
234 1 . 1 1 55 55 VAL N N 46 116.437 116.437 118.447 -2.010 18219
235 1 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.831 0.229 18219
236 1 . 1 1 55 55 VAL C C 46 173.806 173.806 175.345 -1.539 18219
237 1 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.598 -1.298 18219
238 1 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.710 -0.189 18219
239 1 . 1 1 55 55 VAL H H 46 7.489 7.489 7.808 -0.319 18219
240 1 . 1 1 56 56 SER N N 47 117.185 117.185 113.984 3.201 18219
241 1 . 1 1 56 56 SER HA H 47 4.401 4.401 4.308 0.093 18219
242 1 . 1 1 56 56 SER C C 47 172.074 172.074 174.832 -2.758 18219
243 1 . 1 1 56 56 SER CA C 47 58.133 58.133 59.538 -1.405 18219
244 1 . 1 1 56 56 SER CB C 47 63.468 63.468 63.581 -0.113 18219
245 1 . 1 1 56 56 SER H H 47 7.728 7.728 7.789 -0.061 18219
246 1 . 1 1 57 57 ASN N N 48 121.049 121.049 122.171 -1.122 18219
247 1 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.566 0.024 18219
248 1 . 1 1 57 57 ASN CA C 48 53.600 53.600 55.058 -1.458 18219
249 1 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.126 0.514 18219
250 1 . 1 1 57 57 ASN H H 48 8.228 8.228 8.620 -0.392 18219
251 1 . 1 1 58 58 ASP N N 49 120.276 120.276 120.375 -0.099 18219
252 1 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.610 -0.080 18219
253 1 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.613 -0.411 18219
254 1 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.728 -1.354 18219
255 1 . 1 1 58 58 ASP H H 49 8.192 8.192 8.376 -0.184 18219
256 1 . 1 1 59 59 LYS N N 50 120.660 120.660 117.635 3.025 18219
257 1 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.179 0.021 18219
258 1 . 1 1 59 59 LYS C C 50 173.474 173.474 175.507 -2.033 18219
259 1 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.431 -0.131 18219
260 1 . 1 1 59 59 LYS CB C 50 32.034 32.034 32.854 -0.820 18219
261 1 . 1 1 59 59 LYS H H 50 8.003 8.003 7.825 0.178 18219
262 1 . 1 1 60 60 ARG N N 51 121.278 121.278 119.990 1.288 18219
263 1 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.120 0.080 18219
264 1 . 1 1 60 60 ARG C C 51 173.303 173.303 175.392 -2.090 18219
265 1 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.318 -1.035 18219
266 1 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.558 -0.320 18219
267 1 . 1 1 60 60 ARG H H 51 8.091 8.091 8.317 -0.226 18219
268 1 . 1 1 61 61 ASP N N 52 121.185 121.185 118.532 2.653 18219
269 1 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.683 -0.068 18219
270 1 . 1 1 61 61 ASP C C 52 173.777 173.777 177.277 -3.500 18219
271 1 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.609 -1.630 18219
272 1 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.539 -1.294 18219
273 1 . 1 1 61 61 ASP H H 52 8.261 8.261 8.392 -0.131 18219
274 1 . 1 1 62 62 VAL N N 53 121.902 121.902 120.240 1.662 18219
275 1 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.059 -0.108 18219
276 1 . 1 1 62 62 VAL C C 53 173.279 173.279 177.068 -3.789 18219
277 1 . 1 1 62 62 VAL CA C 53 63.176 63.176 64.297 -1.121 18219
278 1 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.954 0.145 18219
279 1 . 1 1 62 62 VAL H H 53 7.997 7.997 8.182 -0.185 18219
280 1 . 1 1 63 63 LYS N N 54 123.522 123.522 121.143 2.379 18219
281 1 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.091 0.169 18219
282 1 . 1 1 63 63 LYS C C 54 174.481 174.481 178.492 -4.011 18219
283 1 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.708 -3.361 18219
284 1 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.012 0.087 18219
285 1 . 1 1 63 63 LYS H H 54 8.054 8.054 8.153 -0.099 18219
286 1 . 1 1 64 64 VAL N N 55 120.647 120.647 118.133 2.514 18219
287 1 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.884 0.063 18219
288 1 . 1 1 64 64 VAL C C 55 174.955 174.955 177.739 -2.784 18219
289 1 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.153 -0.553 18219
290 1 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.020 0.857 18219
291 1 . 1 1 64 64 VAL H H 55 8.225 8.225 8.033 0.192 18219
292 1 . 1 1 65 65 SER N N 56 117.785 117.785 116.481 1.304 18219
293 1 . 1 1 65 65 SER HA H 56 4.390 4.390 4.187 0.203 18219
294 1 . 1 1 65 65 SER C C 56 172.300 172.300 176.590 -4.290 18219
295 1 . 1 1 65 65 SER CA C 56 60.000 60.000 62.174 -2.174 18219
296 1 . 1 1 65 65 SER CB C 56 62.879 62.879 62.976 -0.097 18219
297 1 . 1 1 65 65 SER H H 56 8.260 8.260 7.804 0.456 18219
298 1 . 1 1 66 66 LEU N N 57 123.318 123.318 122.405 0.913 18219
299 1 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.164 -0.074 18219
300 1 . 1 1 66 66 LEU C C 57 175.932 175.932 178.379 -2.447 18219
301 1 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.303 -0.801 18219
302 1 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.876 -0.155 18219
303 1 . 1 1 66 66 LEU H H 57 8.091 8.091 8.201 -0.110 18219
304 1 . 1 1 67 67 PHE N N 58 118.020 118.020 118.518 -0.498 18219
305 1 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.042 0.288 18219
306 1 . 1 1 67 67 PHE C C 58 174.912 174.912 177.794 -2.882 18219
307 1 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.892 -1.292 18219
308 1 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.701 -0.149 18219
309 1 . 1 1 67 67 PHE H H 58 8.066 8.066 8.660 -0.594 18219
310 1 . 1 1 68 68 THR N N 59 115.324 115.324 116.179 -0.855 18219
311 1 . 1 1 68 68 THR HA H 59 4.310 4.310 4.078 0.232 18219
312 1 . 1 1 68 68 THR C C 59 173.380 173.380 176.335 -2.955 18219
313 1 . 1 1 68 68 THR CA C 59 66.313 66.313 67.212 -0.899 18219
314 1 . 1 1 68 68 THR CB C 59 67.700 67.700 68.740 -1.040 18219
315 1 . 1 1 68 68 THR H H 59 8.287 8.287 8.366 -0.079 18219
316 1 . 1 1 69 69 ALA N N 60 123.621 123.621 124.742 -1.121 18219
317 1 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.077 0.203 18219
318 1 . 1 1 69 69 ALA C C 60 176.978 176.978 179.853 -2.875 18219
319 1 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.207 -0.107 18219
320 1 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.246 -0.518 18219
321 1 . 1 1 69 69 ALA H H 60 7.983 7.983 8.179 -0.196 18219
322 1 . 1 1 70 70 PHE N N 61 118.520 118.520 118.147 0.373 18219
323 1 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.177 0.083 18219
324 1 . 1 1 70 70 PHE C C 61 175.369 175.369 177.446 -2.077 18219
325 1 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.693 -1.514 18219
326 1 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.030 -0.324 18219
327 1 . 1 1 70 70 PHE H H 61 8.007 8.007 8.798 -0.791 18219
328 1 . 1 1 71 71 PHE N N 62 122.314 122.314 120.341 1.973 18219
329 1 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.109 -0.109 18219
330 1 . 1 1 71 71 PHE C C 62 174.697 174.697 177.469 -2.772 18219
331 1 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.233 -1.716 18219
332 1 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.013 -0.243 18219
333 1 . 1 1 71 71 PHE H H 62 8.546 8.546 8.123 0.423 18219
334 1 . 1 1 72 72 LEU N N 63 119.399 119.399 119.825 -0.426 18219
335 1 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.875 -0.004 18219
336 1 . 1 1 72 72 LEU C C 63 175.774 175.774 178.701 -2.927 18219
337 1 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.369 -1.444 18219
338 1 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.402 -0.195 18219
339 1 . 1 1 72 72 LEU H H 63 8.396 8.396 8.806 -0.410 18219
340 1 . 1 1 73 73 ALA N N 64 120.221 120.221 120.907 -0.686 18219
341 1 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.890 0.070 18219
342 1 . 1 1 73 73 ALA C C 64 177.267 177.267 179.541 -2.274 18219
343 1 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.404 -0.804 18219
344 1 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.877 -0.093 18219
345 1 . 1 1 73 73 ALA H H 64 8.025 8.025 8.102 -0.077 18219
346 1 . 1 1 74 74 THR N N 65 113.648 113.648 114.770 -1.122 18219
347 1 . 1 1 74 74 THR HA H 65 3.980 3.980 3.946 0.034 18219
348 1 . 1 1 74 74 THR CA C 65 66.291 66.291 66.272 0.019 18219
349 1 . 1 1 74 74 THR CB C 65 67.914 67.914 68.711 -0.796 18219
350 1 . 1 1 74 74 THR H H 65 7.717 7.717 7.793 -0.076 18219
351 1 . 1 1 75 75 ILE N N 66 120.291 120.291 120.831 -0.540 18219
352 1 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.626 0.114 18219
353 1 . 1 1 75 75 ILE C C 66 174.951 174.951 177.843 -2.892 18219
354 1 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.062 0.818 18219
355 1 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.696 -0.530 18219
356 1 . 1 1 75 75 ILE H H 66 7.738 7.738 8.081 -0.343 18219
357 1 . 1 1 76 76 MET N N 67 117.618 117.618 117.311 0.307 18219
358 1 . 1 1 76 76 MET HA H 67 4.220 4.220 4.163 0.057 18219
359 1 . 1 1 76 76 MET C C 67 175.142 175.142 177.526 -2.384 18219
360 1 . 1 1 76 76 MET CA C 67 56.723 56.723 57.934 -1.211 18219
361 1 . 1 1 76 76 MET CB C 67 31.951 31.951 33.442 -1.491 18219
362 1 . 1 1 76 76 MET H H 67 7.823 7.823 8.419 -0.596 18219
363 1 . 1 1 77 77 GLY N N 68 107.110 107.110 104.939 2.171 18219
364 1 . 1 1 77 77 GLY C C 68 172.260 172.260 174.963 -2.703 18219
365 1 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.292 0.508 18219
366 1 . 1 1 77 77 GLY H H 68 7.937 7.937 8.177 -0.239 18219
367 1 . 1 1 78 78 VAL N N 69 120.431 120.431 118.488 1.943 18219
368 1 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.737 0.483 18219
369 1 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.680 -0.781 18219
370 1 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.865 -0.360 18219
371 1 . 1 1 78 78 VAL H H 69 7.697 7.697 8.160 -0.463 18219
372 1 . 1 1 79 79 ARG N N 70 121.420 121.420 118.439 2.981 18219
373 1 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.259 -0.449 18219
374 1 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.548 -0.148 18219
375 1 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.587 -0.490 18219
376 1 . 1 1 79 79 ARG H H 70 7.889 7.889 7.802 0.087 18219
377 1 . 1 1 80 80 PHE N N 71 119.949 119.949 122.941 -2.992 18219
378 1 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.475 0.035 18219
379 1 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.032 -0.432 18219
380 1 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.768 -0.623 18219
381 1 . 1 1 80 80 PHE H H 71 8.101 8.101 8.497 -0.396 18219
382 1 . 1 1 81 81 LYS N N 72 122.193 122.193 121.842 0.351 18219
383 1 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.382 0.418 18219
384 1 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.711 -1.389 18219
385 1 . 1 1 81 81 LYS H H 72 8.090 8.090 8.131 -0.041 18219
386 1 . 1 1 82 82 ARG N N 73 119.650 119.650 120.757 -1.107 18219
387 1 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.665 -0.576 18219
388 1 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.632 -0.461 18219
389 1 . 1 1 82 82 ARG H H 73 8.052 8.052 8.382 -0.330 18219
390 1 . 1 1 83 83 SER N N 74 115.734 115.734 115.935 -0.201 18219
391 1 . 1 1 83 83 SER CA C 74 58.355 58.355 58.296 0.059 18219
392 1 . 1 1 83 83 SER CB C 74 63.404 63.404 64.119 -0.715 18219
393 1 . 1 1 83 83 SER H H 74 7.912 7.912 8.158 -0.246 18219
394 1 . 1 1 84 84 LYS N N 75 122.370 122.370 122.760 -0.390 18219
395 1 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.768 -0.633 18219
396 1 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.166 0.009 18219
397 1 . 1 1 84 84 LYS H H 75 8.067 8.067 8.388 -0.321 18219
398 1 . 1 1 86 86 ILE N N 77 119.592 119.592 117.764 1.828 18219
399 1 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.085 -0.275 18219
400 1 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.044 2.856 18219
401 1 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.749 0.396 18219
402 1 . 1 1 86 86 ILE H H 77 7.837 7.837 7.945 -0.108 18219
403 1 . 1 1 87 87 MET N N 78 121.645 121.645 119.231 2.414 18219
404 1 . 1 1 87 87 MET CA C 78 52.982 52.982 59.242 -6.260 18219
405 1 . 1 1 87 87 MET CB C 78 32.173 32.173 31.062 1.111 18219
406 1 . 1 1 87 87 MET H H 78 7.950 7.950 8.095 -0.145 18219
407 1 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.466 -0.326 18219
408 1 . 1 1 88 88 PRO C C 79 173.921 173.921 176.727 -2.806 18219
409 1 . 1 1 88 88 PRO CA C 79 62.800 62.800 63.114 -0.314 18219
410 1 . 1 1 88 88 PRO CB C 79 31.136 31.136 30.657 0.479 18219
411 1 . 1 1 89 89 ALA N N 80 124.431 124.431 121.930 2.501 18219
412 1 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.066 0.334 18219
413 1 . 1 1 89 89 ALA C C 80 176.234 176.234 179.333 -3.099 18219
414 1 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.782 -1.482 18219
415 1 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.058 0.440 18219
416 1 . 1 1 89 89 ALA H H 80 8.320 8.320 8.448 -0.128 18219
417 1 . 1 1 90 90 GLY N N 81 106.834 106.834 106.695 0.139 18219
418 1 . 1 1 90 90 GLY C C 81 172.398 172.398 175.701 -3.303 18219
419 1 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.809 -1.209 18219
420 1 . 1 1 90 90 GLY H H 81 8.458 8.458 8.451 0.007 18219
421 1 . 1 1 91 91 LEU N N 82 121.043 121.043 121.452 -0.409 18219
422 1 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.046 0.154 18219
423 1 . 1 1 91 91 LEU C C 82 174.783 174.783 178.750 -3.967 18219
424 1 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.983 -1.683 18219
425 1 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.752 0.354 18219
426 1 . 1 1 91 91 LEU H H 82 7.687 7.687 7.803 -0.116 18219
427 1 . 1 1 92 92 VAL N N 83 114.737 114.737 118.160 -3.423 18219
428 1 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.601 0.379 18219
429 1 . 1 1 92 92 VAL C C 83 173.634 173.634 177.774 -4.140 18219
430 1 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.698 -4.298 18219
431 1 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.181 0.403 18219
432 1 . 1 1 92 92 VAL H H 83 7.602 7.602 7.856 -0.254 18219
433 1 . 1 1 93 93 ALA N N 84 124.320 124.320 121.152 3.168 18219
434 1 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.008 0.142 18219
435 1 . 1 1 93 93 ALA C C 84 175.746 175.746 179.854 -4.108 18219
436 1 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.344 -2.044 18219
437 1 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.896 0.345 18219
438 1 . 1 1 93 93 ALA H H 84 7.891 7.891 8.274 -0.383 18219
439 1 . 1 1 94 94 GLY N N 85 106.807 106.807 107.307 -0.500 18219
440 1 . 1 1 94 94 GLY C C 85 171.752 171.752 175.908 -4.156 18219
441 1 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.584 -1.335 18219
442 1 . 1 1 94 94 GLY H H 85 8.204 8.204 8.035 0.169 18219
443 1 . 1 1 95 95 LEU N N 86 121.266 121.266 122.220 -0.954 18219
444 1 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.136 0.244 18219
445 1 . 1 1 95 95 LEU C C 86 173.702 173.702 179.090 -5.388 18219
446 1 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.531 -2.531 18219
447 1 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.248 1.050 18219
448 1 . 1 1 95 95 LEU H H 86 7.718 7.718 8.037 -0.319 18219
449 1 . 1 1 96 96 SER N N 87 115.658 115.658 115.692 -0.034 18219
450 1 . 1 1 96 96 SER HA H 87 4.370 4.370 4.182 0.188 18219
451 1 . 1 1 96 96 SER C C 87 172.479 172.479 176.736 -4.257 18219
452 1 . 1 1 96 96 SER CA C 87 57.200 57.200 62.180 -4.980 18219
453 1 . 1 1 96 96 SER CB C 87 64.174 64.174 63.111 1.063 18219
454 1 . 1 1 96 96 SER H H 87 7.659 7.659 8.189 -0.530 18219
455 1 . 1 1 97 97 LEU N N 88 123.720 123.720 122.522 1.198 18219
456 1 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.000 0.600 18219
457 1 . 1 1 97 97 LEU C C 88 175.932 175.932 178.964 -3.032 18219
458 1 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.901 -0.301 18219
459 1 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.787 -0.387 18219
460 1 . 1 1 97 97 LEU H H 88 8.733 8.733 8.138 0.595 18219
461 1 . 1 1 98 98 MET N N 89 116.684 116.684 119.761 -3.077 18219
462 1 . 1 1 98 98 MET HA H 89 4.280 4.280 4.131 0.149 18219
463 1 . 1 1 98 98 MET C C 89 175.789 175.789 178.011 -2.222 18219
464 1 . 1 1 98 98 MET CA C 89 56.915 56.915 58.806 -1.890 18219
465 1 . 1 1 98 98 MET CB C 89 31.007 31.007 32.646 -1.639 18219
466 1 . 1 1 98 98 MET H H 89 8.342 8.342 8.265 0.077 18219
467 1 . 1 1 99 99 MET N N 90 119.182 119.182 118.274 0.908 18219
468 1 . 1 1 99 99 MET HA H 90 4.110 4.110 4.170 -0.060 18219
469 1 . 1 1 99 99 MET C C 90 175.588 175.588 178.811 -3.223 18219
470 1 . 1 1 99 99 MET CA C 90 57.951 57.951 58.755 -0.804 18219
471 1 . 1 1 99 99 MET CB C 90 32.226 32.226 32.067 0.159 18219
472 1 . 1 1 99 99 MET H H 90 7.720 7.720 8.169 -0.449 18219
473 1 . 1 1 100 100 ILE N N 91 119.077 119.077 120.061 -0.984 18219
474 1 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.903 0.207 18219
475 1 . 1 1 100 100 ILE C C 91 174.634 174.634 177.307 -2.672 18219
476 1 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.389 -0.289 18219
477 1 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.334 -1.191 18219
478 1 . 1 1 100 100 ILE H H 91 7.662 7.662 8.267 -0.605 18219
479 1 . 1 1 101 101 LEU N N 92 119.646 119.646 120.468 -0.822 18219
480 1 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.040 0.490 18219
481 1 . 1 1 101 101 LEU C C 92 175.430 175.430 178.337 -2.907 18219
482 1 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.694 0.106 18219
483 1 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.699 -0.941 18219
484 1 . 1 1 101 101 LEU H H 92 8.142 8.142 7.785 0.357 18219
485 1 . 1 1 102 102 ARG N N 93 116.394 116.394 118.313 -1.919 18219
486 1 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.299 -0.159 18219
487 1 . 1 1 102 102 ARG C C 93 175.961 175.961 178.384 -2.423 18219
488 1 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.314 0.786 18219
489 1 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.841 -1.437 18219
490 1 . 1 1 102 102 ARG H H 93 7.893 7.893 8.165 -0.272 18219
491 1 . 1 1 103 103 LEU N N 94 119.114 119.114 121.513 -2.399 18219
492 1 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.132 -0.022 18219
493 1 . 1 1 103 103 LEU C C 94 175.889 175.889 178.313 -2.424 18219
494 1 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.571 -0.271 18219
495 1 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.877 -0.581 18219
496 1 . 1 1 103 103 LEU H H 94 7.622 7.622 7.903 -0.281 18219
497 1 . 1 1 104 104 VAL N N 95 117.704 117.704 119.064 -1.361 18219
498 1 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.745 -0.215 18219
499 1 . 1 1 104 104 VAL C C 95 175.042 175.042 177.398 -2.356 18219
500 1 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.410 1.009 18219
501 1 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.901 -0.544 18219
502 1 . 1 1 104 104 VAL H H 95 8.026 8.026 7.998 0.028 18219
503 1 . 1 1 105 105 LEU N N 96 117.185 117.185 115.650 1.535 18219
504 1 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.341 -0.361 18219
505 1 . 1 1 105 105 LEU C C 96 176.579 176.579 177.530 -0.951 18219
506 1 . 1 1 105 105 LEU CA C 96 56.800 56.800 55.586 1.214 18219
507 1 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.221 -1.270 18219
508 1 . 1 1 105 105 LEU H H 96 7.893 7.893 7.557 0.336 18219
509 1 . 1 1 106 106 LEU N N 97 118.471 118.471 118.222 0.249 18219
510 1 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.919 0.261 18219
511 1 . 1 1 106 106 LEU C C 97 175.802 175.802 176.344 -0.542 18219
512 1 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.594 0.706 18219
513 1 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.729 0.863 18219
514 1 . 1 1 106 106 LEU H H 97 7.545 7.545 7.841 -0.296 18219
515 1 . 1 1 107 107 LEU N N 98 118.162 118.162 114.843 3.319 18219
516 1 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.083 0.147 18219
517 1 . 1 1 107 107 LEU C C 98 174.174 174.174 177.344 -3.170 18219
518 1 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.501 0.782 18219
519 1 . 1 1 107 107 LEU CB C 98 42.362 42.362 40.815 1.547 18219
520 1 . 1 1 107 107 LEU H H 98 7.688 7.688 7.991 -0.303 18219
stop_
save_