data_18216
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18216
_Entry.PDB_ID 2LOL
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 18216
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 4 4 THR HA H 4 4.199 4.199 4.089 0.110 18216
2 1 1 . 1 1 4 4 THR C C 4 172.396 172.396 176.443 -4.047 18216
3 1 1 . 1 1 4 4 THR CA C 4 62.877 62.877 66.078 -3.201 18216
4 1 1 . 1 1 4 4 THR CB C 4 69.501 69.501 68.578 0.923 18216
5 1 1 . 1 1 5 5 ASP N N 5 123.982 123.982 121.496 2.486 18216
6 1 1 . 1 1 5 5 ASP HA H 5 4.560 4.560 4.379 0.181 18216
7 1 1 . 1 1 5 5 ASP C C 5 174.716 174.716 177.959 -3.243 18216
8 1 1 . 1 1 5 5 ASP CA C 5 54.733 54.733 57.325 -2.592 18216
9 1 1 . 1 1 5 5 ASP CB C 5 41.451 41.451 40.461 0.990 18216
10 1 1 . 1 1 5 5 ASP H H 5 8.457 8.457 8.627 -0.170 18216
11 1 1 . 1 1 6 6 LYS N N 6 122.949 122.949 117.850 5.099 18216
12 1 1 . 1 1 6 6 LYS HA H 6 4.141 4.141 4.169 -0.028 18216
13 1 1 . 1 1 6 6 LYS C C 6 177.076 177.076 178.899 -1.823 18216
14 1 1 . 1 1 6 6 LYS CA C 6 58.725 58.725 57.959 0.766 18216
15 1 1 . 1 1 6 6 LYS CB C 6 32.481 32.481 32.292 0.189 18216
16 1 1 . 1 1 6 6 LYS H H 6 8.421 8.421 7.909 0.512 18216
17 1 1 . 1 1 7 7 ILE N N 7 121.024 121.024 119.102 1.922 18216
18 1 1 . 1 1 7 7 ILE HA H 7 4.036 4.036 3.825 0.211 18216
19 1 1 . 1 1 7 7 ILE C C 7 174.780 174.780 177.581 -2.801 18216
20 1 1 . 1 1 7 7 ILE CA C 7 64.418 64.418 65.430 -1.012 18216
21 1 1 . 1 1 7 7 ILE CB C 7 37.541 37.541 37.926 -0.385 18216
22 1 1 . 1 1 7 7 ILE H H 7 8.055 8.055 8.106 -0.051 18216
23 1 1 . 1 1 8 8 GLU N N 8 119.901 119.901 119.033 0.868 18216
24 1 1 . 1 1 8 8 GLU HA H 8 3.620 3.620 4.039 -0.419 18216
25 1 1 . 1 1 8 8 GLU C C 8 175.403 175.403 178.003 -2.600 18216
26 1 1 . 1 1 8 8 GLU CA C 8 60.226 60.226 59.107 1.119 18216
27 1 1 . 1 1 8 8 GLU CB C 8 29.793 29.793 29.417 0.376 18216
28 1 1 . 1 1 8 8 GLU H H 8 8.178 8.178 7.955 0.223 18216
29 1 1 . 1 1 9 9 GLN N N 9 114.019 114.019 115.850 -1.831 18216
30 1 1 . 1 1 9 9 GLN HA H 9 3.887 3.887 4.409 -0.522 18216
31 1 1 . 1 1 9 9 GLN C C 9 176.383 176.383 177.225 -0.842 18216
32 1 1 . 1 1 9 9 GLN CA C 9 59.031 59.031 57.229 1.802 18216
33 1 1 . 1 1 9 9 GLN CB C 9 28.829 28.829 29.691 -0.862 18216
34 1 1 . 1 1 9 9 GLN H H 9 7.923 7.923 7.483 0.440 18216
35 1 1 . 1 1 10 10 LYS N N 10 119.999 119.999 120.167 -0.168 18216
36 1 1 . 1 1 10 10 LYS HA H 10 4.182 4.182 4.301 -0.119 18216
37 1 1 . 1 1 10 10 LYS C C 10 176.671 176.671 178.383 -1.712 18216
38 1 1 . 1 1 10 10 LYS CA C 10 58.067 58.067 57.302 0.765 18216
39 1 1 . 1 1 10 10 LYS CB C 10 31.522 31.522 32.808 -1.286 18216
40 1 1 . 1 1 10 10 LYS H H 10 7.783 7.783 7.797 -0.014 18216
41 1 1 . 1 1 11 11 VAL N N 11 119.291 119.291 122.393 -3.102 18216
42 1 1 . 1 1 11 11 VAL HA H 11 3.602 3.602 3.779 -0.177 18216
43 1 1 . 1 1 11 11 VAL C C 11 176.092 176.092 176.869 -0.777 18216
44 1 1 . 1 1 11 11 VAL CA C 11 67.715 67.715 65.957 1.758 18216
45 1 1 . 1 1 11 11 VAL CB C 11 30.791 30.791 31.802 -1.011 18216
46 1 1 . 1 1 11 11 VAL H H 11 8.928 8.928 8.178 0.750 18216
47 1 1 . 1 1 12 12 ILE N N 12 119.163 119.163 118.303 0.860 18216
48 1 1 . 1 1 12 12 ILE HA H 12 3.413 3.413 3.670 -0.257 18216
49 1 1 . 1 1 12 12 ILE C C 12 175.417 175.417 177.468 -2.051 18216
50 1 1 . 1 1 12 12 ILE CA C 12 68.032 68.032 64.529 3.503 18216
51 1 1 . 1 1 12 12 ILE CB C 12 37.135 37.135 37.808 -0.673 18216
52 1 1 . 1 1 12 12 ILE H H 12 8.255 8.255 7.712 0.543 18216
53 1 1 . 1 1 13 13 GLU N N 13 118.515 118.515 118.128 0.387 18216
54 1 1 . 1 1 13 13 GLU HA H 13 3.868 3.868 4.055 -0.187 18216
55 1 1 . 1 1 13 13 GLU C C 13 177.514 177.514 178.294 -0.780 18216
56 1 1 . 1 1 13 13 GLU CA C 13 60.145 60.145 58.642 1.503 18216
57 1 1 . 1 1 13 13 GLU CB C 13 29.487 29.487 29.320 0.167 18216
58 1 1 . 1 1 13 13 GLU H H 13 7.821 7.821 7.953 -0.132 18216
59 1 1 . 1 1 14 14 MET N N 14 120.174 120.174 119.519 0.655 18216
60 1 1 . 1 1 14 14 MET HA H 14 4.168 4.168 4.176 -0.008 18216
61 1 1 . 1 1 14 14 MET C C 14 176.631 176.631 177.889 -1.258 18216
62 1 1 . 1 1 14 14 MET CA C 14 59.409 59.409 58.239 1.170 18216
63 1 1 . 1 1 14 14 MET CB C 14 33.931 33.931 32.644 1.288 18216
64 1 1 . 1 1 14 14 MET H H 14 8.610 8.610 7.396 1.214 18216
65 1 1 . 1 1 15 15 VAL N N 15 120.579 120.579 118.470 2.109 18216
66 1 1 . 1 1 15 15 VAL HA H 15 3.441 3.441 3.534 -0.093 18216
67 1 1 . 1 1 15 15 VAL C C 15 175.086 175.086 177.602 -2.516 18216
68 1 1 . 1 1 15 15 VAL CA C 15 67.096 67.096 66.272 0.824 18216
69 1 1 . 1 1 15 15 VAL CB C 15 31.481 31.481 31.215 0.266 18216
70 1 1 . 1 1 15 15 VAL H H 15 8.975 8.975 8.306 0.669 18216
71 1 1 . 1 1 16 16 ALA N N 16 121.102 121.102 120.824 0.278 18216
72 1 1 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.428 -0.650 18216
73 1 1 . 1 1 16 16 ALA C C 16 178.027 178.027 178.313 -0.286 18216
74 1 1 . 1 1 16 16 ALA CA C 16 55.944 55.944 54.255 1.689 18216
75 1 1 . 1 1 16 16 ALA CB C 16 18.234 18.234 18.740 -0.506 18216
76 1 1 . 1 1 16 16 ALA H H 16 8.387 8.387 7.616 0.771 18216
77 1 1 . 1 1 17 17 GLU N N 17 115.683 115.683 116.741 -1.058 18216
78 1 1 . 1 1 17 17 GLU HA H 17 4.102 4.102 4.313 -0.211 18216
79 1 1 . 1 1 17 17 GLU C C 17 177.810 177.810 177.927 -0.117 18216
80 1 1 . 1 1 17 17 GLU CA C 17 59.241 59.241 57.207 2.034 18216
81 1 1 . 1 1 17 17 GLU CB C 17 30.175 30.175 30.047 0.128 18216
82 1 1 . 1 1 17 17 GLU H H 17 8.043 8.043 7.991 0.052 18216
83 1 1 . 1 1 18 18 LYS N N 18 116.582 116.582 118.750 -2.168 18216
84 1 1 . 1 1 18 18 LYS HA H 18 4.186 4.186 4.096 0.090 18216
85 1 1 . 1 1 18 18 LYS C C 18 175.949 175.949 176.708 -0.759 18216
86 1 1 . 1 1 18 18 LYS CA C 18 57.029 57.029 58.458 -1.429 18216
87 1 1 . 1 1 18 18 LYS CB C 18 31.479 31.479 32.990 -1.511 18216
88 1 1 . 1 1 18 18 LYS H H 18 8.669 8.669 7.988 0.681 18216
89 1 1 . 1 1 19 19 LEU N N 19 113.633 113.633 118.706 -5.073 18216
90 1 1 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.282 0.209 18216
91 1 1 . 1 1 19 19 LEU C C 19 174.261 174.261 175.346 -1.085 18216
92 1 1 . 1 1 19 19 LEU CA C 19 54.230 54.230 53.146 1.084 18216
93 1 1 . 1 1 19 19 LEU CB C 19 40.477 40.477 40.929 -0.452 18216
94 1 1 . 1 1 19 19 LEU H H 19 8.226 8.226 7.306 0.920 18216
95 1 1 . 1 1 20 20 ASN N N 20 117.866 117.866 117.563 0.303 18216
96 1 1 . 1 1 20 20 ASN HA H 20 4.416 4.416 4.426 -0.010 18216
97 1 1 . 1 1 20 20 ASN C C 20 172.278 172.278 174.215 -1.937 18216
98 1 1 . 1 1 20 20 ASN CA C 20 54.058 54.058 53.958 0.100 18216
99 1 1 . 1 1 20 20 ASN CB C 20 36.788 36.788 37.345 -0.557 18216
100 1 1 . 1 1 20 20 ASN H H 20 7.616 7.616 8.025 -0.409 18216
101 1 1 . 1 1 21 21 LYS N N 21 117.035 117.035 119.669 -2.634 18216
102 1 1 . 1 1 21 21 LYS HA H 21 4.717 4.717 4.364 0.353 18216
103 1 1 . 1 1 21 21 LYS C C 21 173.009 173.009 176.058 -3.049 18216
104 1 1 . 1 1 21 21 LYS CA C 21 52.589 52.589 54.778 -2.189 18216
105 1 1 . 1 1 21 21 LYS CB C 21 36.114 36.114 33.375 2.739 18216
106 1 1 . 1 1 21 21 LYS H H 21 8.473 8.473 7.338 1.135 18216
107 1 1 . 1 1 22 22 ASP N N 22 120.954 120.954 126.804 -5.850 18216
108 1 1 . 1 1 22 22 ASP HA H 22 4.422 4.422 4.414 0.008 18216
109 1 1 . 1 1 22 22 ASP C C 22 175.257 175.257 177.652 -2.395 18216
110 1 1 . 1 1 22 22 ASP CA C 22 54.220 54.220 55.286 -1.066 18216
111 1 1 . 1 1 22 22 ASP CB C 22 41.895 41.895 42.481 -0.586 18216
112 1 1 . 1 1 22 22 ASP H H 22 8.261 8.261 8.803 -0.542 18216
113 1 1 . 1 1 23 23 LYS N N 23 125.865 125.865 124.429 1.436 18216
114 1 1 . 1 1 23 23 LYS HA H 23 3.742 3.742 4.071 -0.329 18216
115 1 1 . 1 1 23 23 LYS C C 23 175.599 175.599 177.052 -1.453 18216
116 1 1 . 1 1 23 23 LYS CA C 23 59.607 59.607 58.542 1.065 18216
117 1 1 . 1 1 23 23 LYS CB C 23 32.184 32.184 32.158 0.025 18216
118 1 1 . 1 1 23 23 LYS H H 23 8.697 8.697 8.605 0.092 18216
119 1 1 . 1 1 24 24 ALA N N 24 118.731 118.731 120.267 -1.536 18216
120 1 1 . 1 1 24 24 ALA HA H 24 4.110 4.110 4.297 -0.187 18216
121 1 1 . 1 1 24 24 ALA C C 24 177.449 177.449 178.118 -0.669 18216
122 1 1 . 1 1 24 24 ALA CA C 24 54.192 54.192 53.079 1.113 18216
123 1 1 . 1 1 24 24 ALA CB C 24 19.018 19.018 19.330 -0.312 18216
124 1 1 . 1 1 24 24 ALA H H 24 8.509 8.509 7.891 0.618 18216
125 1 1 . 1 1 25 25 ILE N N 25 110.020 110.020 116.546 -6.526 18216
126 1 1 . 1 1 25 25 ILE HA H 25 4.406 4.406 4.193 0.213 18216
127 1 1 . 1 1 25 25 ILE C C 25 173.524 173.524 175.945 -2.421 18216
128 1 1 . 1 1 25 25 ILE CA C 25 60.373 60.373 61.478 -1.105 18216
129 1 1 . 1 1 25 25 ILE CB C 25 38.423 38.423 39.870 -1.447 18216
130 1 1 . 1 1 25 25 ILE H H 25 7.562 7.562 7.768 -0.206 18216
131 1 1 . 1 1 26 26 ILE N N 26 122.932 122.932 122.909 0.023 18216
132 1 1 . 1 1 26 26 ILE HA H 26 3.961 3.961 3.959 0.002 18216
133 1 1 . 1 1 26 26 ILE C C 26 172.610 172.610 175.754 -3.144 18216
134 1 1 . 1 1 26 26 ILE CA C 26 61.520 61.520 61.769 -0.249 18216
135 1 1 . 1 1 26 26 ILE CB C 26 37.367 37.367 35.963 1.404 18216
136 1 1 . 1 1 26 26 ILE H H 26 7.377 7.377 7.613 -0.236 18216
137 1 1 . 1 1 27 27 THR N N 27 116.747 116.747 118.617 -1.870 18216
138 1 1 . 1 1 27 27 THR HA H 27 4.857 4.857 4.681 0.176 18216
139 1 1 . 1 1 27 27 THR C C 27 174.186 174.186 175.142 -0.956 18216
140 1 1 . 1 1 27 27 THR CA C 27 58.917 58.917 60.031 -1.114 18216
141 1 1 . 1 1 27 27 THR CB C 27 72.257 72.257 71.198 1.059 18216
142 1 1 . 1 1 27 27 THR H H 27 8.549 8.549 7.590 0.959 18216
143 1 1 . 1 1 28 28 THR N N 28 110.578 110.578 112.687 -2.109 18216
144 1 1 . 1 1 28 28 THR HA H 28 3.743 3.743 4.064 -0.321 18216
145 1 1 . 1 1 28 28 THR C C 28 172.642 172.642 175.657 -3.015 18216
146 1 1 . 1 1 28 28 THR CA C 28 65.306 65.306 65.360 -0.054 18216
147 1 1 . 1 1 28 28 THR CB C 28 67.621 67.621 68.930 -1.309 18216
148 1 1 . 1 1 28 28 THR H H 28 8.817 8.817 8.434 0.383 18216
149 1 1 . 1 1 29 29 ASP N N 29 117.036 117.036 119.740 -2.704 18216
150 1 1 . 1 1 29 29 ASP HA H 29 4.719 4.719 4.735 -0.016 18216
151 1 1 . 1 1 29 29 ASP C C 29 174.246 174.246 175.266 -1.020 18216
152 1 1 . 1 1 29 29 ASP CA C 29 54.208 54.208 53.394 0.814 18216
153 1 1 . 1 1 29 29 ASP CB C 29 41.567 41.567 39.801 1.766 18216
154 1 1 . 1 1 29 29 ASP H H 29 7.777 7.777 8.315 -0.538 18216
155 1 1 . 1 1 30 30 SER N N 30 117.171 117.171 116.066 1.105 18216
156 1 1 . 1 1 30 30 SER HA H 30 4.063 4.063 4.185 -0.122 18216
157 1 1 . 1 1 30 30 SER C C 30 171.138 171.138 175.389 -4.251 18216
158 1 1 . 1 1 30 30 SER CA C 30 61.581 61.581 59.248 2.333 18216
159 1 1 . 1 1 30 30 SER CB C 30 63.349 63.349 63.266 0.083 18216
160 1 1 . 1 1 30 30 SER H H 30 7.619 7.619 7.390 0.229 18216
161 1 1 . 1 1 31 31 ARG N N 31 124.648 124.648 129.456 -4.808 18216
162 1 1 . 1 1 31 31 ARG HA H 31 4.644 4.644 4.172 0.472 18216
163 1 1 . 1 1 31 31 ARG C C 31 176.660 176.660 176.380 0.280 18216
164 1 1 . 1 1 31 31 ARG CA C 31 54.323 54.323 54.200 0.123 18216
165 1 1 . 1 1 31 31 ARG CB C 31 30.539 30.539 28.724 1.815 18216
166 1 1 . 1 1 31 31 ARG H H 31 10.379 10.379 8.431 1.948 18216
167 1 1 . 1 1 32 32 PHE N N 32 124.068 124.068 118.990 5.078 18216
168 1 1 . 1 1 32 32 PHE HA H 32 3.964 3.964 4.177 -0.213 18216
169 1 1 . 1 1 32 32 PHE C C 32 173.376 173.376 177.335 -3.959 18216
170 1 1 . 1 1 32 32 PHE CA C 32 62.578 62.578 60.089 2.489 18216
171 1 1 . 1 1 32 32 PHE CB C 32 38.147 38.147 37.869 0.278 18216
172 1 1 . 1 1 32 32 PHE H H 32 7.833 7.833 7.086 0.747 18216
173 1 1 . 1 1 33 33 ILE N N 33 116.395 116.395 119.656 -3.261 18216
174 1 1 . 1 1 33 33 ILE HA H 33 4.044 4.044 3.808 0.236 18216
175 1 1 . 1 1 33 33 ILE C C 33 178.005 178.005 177.371 0.634 18216
176 1 1 . 1 1 33 33 ILE CA C 33 64.293 64.293 64.017 0.276 18216
177 1 1 . 1 1 33 33 ILE CB C 33 36.905 36.905 37.747 -0.842 18216
178 1 1 . 1 1 33 33 ILE H H 33 8.696 8.696 7.629 1.067 18216
179 1 1 . 1 1 34 34 GLU N N 34 117.346 117.346 118.915 -1.569 18216
180 1 1 . 1 1 34 34 GLU HA H 34 3.859 3.859 4.187 -0.328 18216
181 1 1 . 1 1 34 34 GLU C C 34 175.723 175.723 179.133 -3.410 18216
182 1 1 . 1 1 34 34 GLU CA C 34 62.485 62.485 58.655 3.830 18216
183 1 1 . 1 1 34 34 GLU CB C 34 29.032 29.032 29.424 -0.392 18216
184 1 1 . 1 1 34 34 GLU H H 34 9.408 9.408 7.862 1.546 18216
185 1 1 . 1 1 35 35 ASP N N 35 112.053 112.053 120.553 -8.500 18216
186 1 1 . 1 1 35 35 ASP HA H 35 5.026 5.026 4.397 0.629 18216
187 1 1 . 1 1 35 35 ASP C C 35 175.237 175.237 178.310 -3.073 18216
188 1 1 . 1 1 35 35 ASP CA C 35 55.996 55.996 57.159 -1.163 18216
189 1 1 . 1 1 35 35 ASP CB C 35 41.508 41.508 40.921 0.587 18216
190 1 1 . 1 1 35 35 ASP H H 35 7.527 7.527 8.454 -0.927 18216
191 1 1 . 1 1 36 36 LEU N N 36 115.898 115.898 118.401 -2.503 18216
192 1 1 . 1 1 36 36 LEU HA H 36 4.274 4.274 4.348 -0.074 18216
193 1 1 . 1 1 36 36 LEU C C 36 172.955 172.955 176.493 -3.538 18216
194 1 1 . 1 1 36 36 LEU CA C 36 54.739 54.739 55.043 -0.304 18216
195 1 1 . 1 1 36 36 LEU CB C 36 40.891 40.891 42.067 -1.176 18216
196 1 1 . 1 1 36 36 LEU H H 36 7.648 7.648 7.797 -0.149 18216
197 1 1 . 1 1 37 37 LYS N N 37 114.307 114.307 116.086 -1.779 18216
198 1 1 . 1 1 37 37 LYS HA H 37 4.207 4.207 4.072 0.135 18216
199 1 1 . 1 1 37 37 LYS C C 37 174.539 174.539 175.245 -0.706 18216
200 1 1 . 1 1 37 37 LYS CA C 37 55.942 55.942 56.751 -0.809 18216
201 1 1 . 1 1 37 37 LYS CB C 37 28.513 28.513 29.136 -0.623 18216
202 1 1 . 1 1 37 37 LYS H H 37 7.247 7.247 7.433 -0.186 18216
203 1 1 . 1 1 38 38 ALA N N 38 121.453 121.453 122.086 -0.633 18216
204 1 1 . 1 1 38 38 ALA HA H 38 4.392 4.392 4.129 0.263 18216
205 1 1 . 1 1 38 38 ALA C C 38 175.605 175.605 177.371 -1.766 18216
206 1 1 . 1 1 38 38 ALA CA C 38 52.008 52.008 52.752 -0.744 18216
207 1 1 . 1 1 38 38 ALA CB C 38 20.568 20.568 19.209 1.359 18216
208 1 1 . 1 1 38 38 ALA H H 38 8.442 8.442 7.684 0.758 18216
209 1 1 . 1 1 39 39 ASP N N 39 123.391 123.391 125.454 -2.063 18216
210 1 1 . 1 1 39 39 ASP HA H 39 4.782 4.782 4.557 0.225 18216
211 1 1 . 1 1 39 39 ASP C C 39 175.798 175.798 177.429 -1.631 18216
212 1 1 . 1 1 39 39 ASP CA C 39 52.823 52.823 54.753 -1.930 18216
213 1 1 . 1 1 39 39 ASP CB C 39 42.613 42.613 41.818 0.795 18216
214 1 1 . 1 1 39 39 ASP H H 39 9.038 9.038 8.334 0.704 18216
215 1 1 . 1 1 40 40 SER N N 40 116.961 116.961 115.274 1.687 18216
216 1 1 . 1 1 40 40 SER HA H 40 4.226 4.226 4.262 -0.036 18216
217 1 1 . 1 1 40 40 SER C C 40 174.197 174.197 176.819 -2.622 18216
218 1 1 . 1 1 40 40 SER CA C 40 60.234 60.234 60.864 -0.630 18216
219 1 1 . 1 1 40 40 SER CB C 40 65.619 65.619 63.764 1.855 18216
220 1 1 . 1 1 40 40 SER H H 40 8.936 8.936 8.502 0.434 18216
221 1 1 . 1 1 41 41 LEU N N 41 124.152 124.152 117.184 6.968 18216
222 1 1 . 1 1 41 41 LEU HA H 41 4.187 4.187 4.255 -0.068 18216
223 1 1 . 1 1 41 41 LEU C C 41 175.316 175.316 177.519 -2.203 18216
224 1 1 . 1 1 41 41 LEU CA C 41 57.873 57.873 57.468 0.405 18216
225 1 1 . 1 1 41 41 LEU CB C 41 41.085 41.085 41.084 0.001 18216
226 1 1 . 1 1 41 41 LEU H H 41 8.279 8.279 8.110 0.169 18216
227 1 1 . 1 1 42 42 ASP N N 42 120.193 120.193 118.410 1.783 18216
228 1 1 . 1 1 42 42 ASP HA H 42 4.415 4.415 4.490 -0.075 18216
229 1 1 . 1 1 42 42 ASP C C 42 176.858 176.858 178.175 -1.317 18216
230 1 1 . 1 1 42 42 ASP CA C 42 57.144 57.144 56.868 0.276 18216
231 1 1 . 1 1 42 42 ASP CB C 42 40.895 40.895 40.461 0.435 18216
232 1 1 . 1 1 42 42 ASP H H 42 8.002 8.002 8.394 -0.392 18216
233 1 1 . 1 1 43 43 THR N N 43 112.919 112.919 115.673 -2.754 18216
234 1 1 . 1 1 43 43 THR HA H 43 3.554 3.554 4.060 -0.506 18216
235 1 1 . 1 1 43 43 THR CA C 43 66.658 66.658 65.335 1.323 18216
236 1 1 . 1 1 43 43 THR CB C 43 68.423 68.423 68.138 0.285 18216
237 1 1 . 1 1 43 43 THR H H 43 7.939 7.939 7.700 0.239 18216
238 1 1 . 1 1 44 44 VAL HA H 44 3.645 3.645 3.637 0.008 18216
239 1 1 . 1 1 44 44 VAL C C 44 176.576 176.576 177.789 -1.213 18216
240 1 1 . 1 1 44 44 VAL CA C 44 66.873 66.873 66.663 0.210 18216
241 1 1 . 1 1 44 44 VAL CB C 44 31.658 31.658 30.570 1.088 18216
242 1 1 . 1 1 45 45 GLU N N 45 119.120 119.120 119.698 -0.578 18216
243 1 1 . 1 1 45 45 GLU HA H 45 4.060 4.060 4.184 -0.124 18216
244 1 1 . 1 1 45 45 GLU C C 45 178.332 178.332 179.050 -0.718 18216
245 1 1 . 1 1 45 45 GLU CA C 45 59.618 59.618 58.758 0.860 18216
246 1 1 . 1 1 45 45 GLU CB C 45 29.229 29.229 29.833 -0.604 18216
247 1 1 . 1 1 45 45 GLU H H 45 7.867 7.867 7.543 0.324 18216
248 1 1 . 1 1 46 46 LEU N N 46 121.527 121.527 119.827 1.700 18216
249 1 1 . 1 1 46 46 LEU HA H 46 3.997 3.997 3.958 0.039 18216
250 1 1 . 1 1 46 46 LEU C C 46 175.472 175.472 179.322 -3.850 18216
251 1 1 . 1 1 46 46 LEU CA C 46 58.391 58.391 57.967 0.424 18216
252 1 1 . 1 1 46 46 LEU CB C 46 41.312 41.312 42.042 -0.730 18216
253 1 1 . 1 1 46 46 LEU H H 46 8.200 8.200 7.973 0.227 18216
254 1 1 . 1 1 47 47 MET N N 47 117.675 117.675 114.548 3.127 18216
255 1 1 . 1 1 47 47 MET HA H 47 4.141 4.141 4.167 -0.026 18216
256 1 1 . 1 1 47 47 MET C C 47 177.030 177.030 178.581 -1.551 18216
257 1 1 . 1 1 47 47 MET CA C 47 57.924 57.924 57.834 0.090 18216
258 1 1 . 1 1 47 47 MET CB C 47 31.672 31.672 32.671 -0.999 18216
259 1 1 . 1 1 47 47 MET H H 47 8.330 8.330 8.111 0.219 18216
260 1 1 . 1 1 48 48 MET N N 48 117.614 117.614 121.651 -4.037 18216
261 1 1 . 1 1 48 48 MET HA H 48 4.343 4.343 4.558 -0.215 18216
262 1 1 . 1 1 48 48 MET C C 48 176.562 176.562 178.063 -1.501 18216
263 1 1 . 1 1 48 48 MET CA C 48 58.942 58.942 57.114 1.828 18216
264 1 1 . 1 1 48 48 MET CB C 48 32.951 32.951 32.039 0.912 18216
265 1 1 . 1 1 48 48 MET H H 48 8.148 8.148 7.587 0.561 18216
266 1 1 . 1 1 49 49 ALA N N 49 121.729 121.729 122.301 -0.572 18216
267 1 1 . 1 1 49 49 ALA HA H 49 4.220 4.220 4.105 0.115 18216
268 1 1 . 1 1 49 49 ALA C C 49 179.111 179.111 179.279 -0.168 18216
269 1 1 . 1 1 49 49 ALA CA C 49 54.902 54.902 54.860 0.042 18216
270 1 1 . 1 1 49 49 ALA CB C 49 17.956 17.956 17.908 0.048 18216
271 1 1 . 1 1 49 49 ALA H H 49 7.890 7.890 8.333 -0.443 18216
272 1 1 . 1 1 50 50 ILE N N 50 122.294 122.294 116.442 5.852 18216
273 1 1 . 1 1 50 50 ILE HA H 50 3.716 3.716 4.001 -0.285 18216
274 1 1 . 1 1 50 50 ILE C C 50 175.507 175.507 178.092 -2.585 18216
275 1 1 . 1 1 50 50 ILE CA C 50 64.908 64.908 62.225 2.683 18216
276 1 1 . 1 1 50 50 ILE CB C 50 36.664 36.664 36.812 -0.147 18216
277 1 1 . 1 1 50 50 ILE H H 50 8.428 8.428 7.525 0.903 18216
278 1 1 . 1 1 51 51 GLU N N 51 120.060 120.060 120.454 -0.394 18216
279 1 1 . 1 1 51 51 GLU HA H 51 4.059 4.059 4.430 -0.371 18216
280 1 1 . 1 1 51 51 GLU C C 51 178.398 178.398 179.393 -0.995 18216
281 1 1 . 1 1 51 51 GLU CA C 51 60.419 60.419 59.480 0.939 18216
282 1 1 . 1 1 51 51 GLU CB C 51 30.212 30.212 30.162 0.050 18216
283 1 1 . 1 1 51 51 GLU H H 51 8.281 8.281 8.148 0.133 18216
284 1 1 . 1 1 52 52 VAL N N 52 117.342 117.342 116.577 0.765 18216
285 1 1 . 1 1 52 52 VAL HA H 52 3.725 3.725 3.933 -0.208 18216
286 1 1 . 1 1 52 52 VAL C C 52 176.701 176.701 177.271 -0.570 18216
287 1 1 . 1 1 52 52 VAL CA C 52 65.682 65.682 65.231 0.451 18216
288 1 1 . 1 1 52 52 VAL CB C 52 32.278 32.278 31.291 0.987 18216
289 1 1 . 1 1 52 52 VAL H H 52 7.714 7.714 7.569 0.145 18216
290 1 1 . 1 1 53 53 GLU N N 53 120.657 120.657 121.165 -0.508 18216
291 1 1 . 1 1 53 53 GLU HA H 53 3.876 3.876 4.161 -0.285 18216
292 1 1 . 1 1 53 53 GLU C C 53 175.734 175.734 177.845 -2.111 18216
293 1 1 . 1 1 53 53 GLU CA C 53 58.823 58.823 58.022 0.801 18216
294 1 1 . 1 1 53 53 GLU CB C 53 29.817 29.817 29.587 0.230 18216
295 1 1 . 1 1 53 53 GLU H H 53 8.191 8.191 7.932 0.259 18216
296 1 1 . 1 1 54 54 TYR N N 54 111.170 111.170 117.644 -6.474 18216
297 1 1 . 1 1 54 54 TYR HA H 54 4.483 4.483 4.414 0.069 18216
298 1 1 . 1 1 54 54 TYR C C 54 174.031 174.031 176.952 -2.921 18216
299 1 1 . 1 1 54 54 TYR CA C 54 59.478 59.478 59.180 0.298 18216
300 1 1 . 1 1 54 54 TYR CB C 54 39.373 39.373 39.638 -0.265 18216
301 1 1 . 1 1 54 54 TYR H H 54 8.106 8.106 7.700 0.406 18216
302 1 1 . 1 1 55 55 GLY N N 55 112.483 112.483 107.392 5.091 18216
303 1 1 . 1 1 55 55 GLY C C 55 172.863 172.863 173.834 -0.971 18216
304 1 1 . 1 1 55 55 GLY CA C 55 47.593 47.593 45.390 2.203 18216
305 1 1 . 1 1 55 55 GLY H H 55 8.047 8.047 8.132 -0.085 18216
306 1 1 . 1 1 56 56 ILE N N 56 112.002 112.002 113.883 -1.881 18216
307 1 1 . 1 1 56 56 ILE HA H 56 4.692 4.692 4.642 0.050 18216
308 1 1 . 1 1 56 56 ILE C C 56 171.179 171.179 173.537 -2.358 18216
309 1 1 . 1 1 56 56 ILE CA C 56 58.776 58.776 58.561 0.215 18216
310 1 1 . 1 1 56 56 ILE CB C 56 42.063 42.063 40.417 1.646 18216
311 1 1 . 1 1 56 56 ILE H H 56 7.491 7.491 7.242 0.249 18216
312 1 1 . 1 1 57 57 ASP N N 57 119.662 119.662 120.548 -0.886 18216
313 1 1 . 1 1 57 57 ASP HA H 57 4.940 4.940 4.997 -0.057 18216
314 1 1 . 1 1 57 57 ASP C C 57 174.016 174.016 174.675 -0.659 18216
315 1 1 . 1 1 57 57 ASP CA C 57 52.946 52.946 53.491 -0.545 18216
316 1 1 . 1 1 57 57 ASP CB C 57 43.115 43.115 43.954 -0.839 18216
317 1 1 . 1 1 57 57 ASP H H 57 8.314 8.314 8.372 -0.058 18216
318 1 1 . 1 1 58 58 ILE N N 58 125.903 125.903 121.579 4.324 18216
319 1 1 . 1 1 58 58 ILE HA H 58 4.360 4.360 4.398 -0.038 18216
320 1 1 . 1 1 58 58 ILE C C 58 170.591 170.591 174.003 -3.412 18216
321 1 1 . 1 1 58 58 ILE CA C 58 59.354 59.354 58.668 0.686 18216
322 1 1 . 1 1 58 58 ILE CB C 58 37.984 37.984 40.342 -2.358 18216
323 1 1 . 1 1 58 58 ILE H H 58 9.901 9.901 8.393 1.508 18216
324 1 1 . 1 1 59 59 PRO HA H 59 4.536 4.536 4.646 -0.110 18216
325 1 1 . 1 1 59 59 PRO C C 59 175.502 175.502 177.052 -1.550 18216
326 1 1 . 1 1 59 59 PRO CA C 59 62.523 62.523 62.029 0.494 18216
327 1 1 . 1 1 59 59 PRO CB C 59 32.790 32.790 32.887 -0.097 18216
328 1 1 . 1 1 60 60 ASP N N 60 122.930 122.930 120.263 2.667 18216
329 1 1 . 1 1 60 60 ASP HA H 60 4.233 4.233 4.253 -0.020 18216
330 1 1 . 1 1 60 60 ASP C C 60 175.742 175.742 177.971 -2.229 18216
331 1 1 . 1 1 60 60 ASP CA C 60 57.966 57.966 57.355 0.611 18216
332 1 1 . 1 1 60 60 ASP CB C 60 40.410 40.410 40.639 -0.229 18216
333 1 1 . 1 1 60 60 ASP H H 60 8.880 8.880 8.714 0.166 18216
334 1 1 . 1 1 61 61 ASP N N 61 115.336 115.336 119.367 -4.031 18216
335 1 1 . 1 1 61 61 ASP HA H 61 4.342 4.342 4.429 -0.087 18216
336 1 1 . 1 1 61 61 ASP C C 61 176.158 176.158 177.552 -1.394 18216
337 1 1 . 1 1 61 61 ASP CA C 61 56.199 56.199 56.498 -0.299 18216
338 1 1 . 1 1 61 61 ASP CB C 61 39.990 39.990 40.584 -0.593 18216
339 1 1 . 1 1 61 61 ASP H H 61 8.736 8.736 8.552 0.184 18216
340 1 1 . 1 1 62 62 GLU N N 62 118.044 118.044 116.242 1.802 18216
341 1 1 . 1 1 62 62 GLU HA H 62 4.237 4.237 4.392 -0.155 18216
342 1 1 . 1 1 62 62 GLU C C 62 177.114 177.114 176.899 0.215 18216
343 1 1 . 1 1 62 62 GLU CA C 62 57.354 57.354 55.002 2.353 18216
344 1 1 . 1 1 62 62 GLU CB C 62 29.151 29.151 28.888 0.263 18216
345 1 1 . 1 1 62 62 GLU H H 62 7.419 7.419 7.911 -0.492 18216
346 1 1 . 1 1 63 63 ALA N N 63 123.014 123.014 123.859 -0.845 18216
347 1 1 . 1 1 63 63 ALA HA H 63 3.708 3.708 4.087 -0.379 18216
348 1 1 . 1 1 63 63 ALA C C 63 177.936 177.936 178.298 -0.362 18216
349 1 1 . 1 1 63 63 ALA CA C 63 55.400 55.400 54.921 0.479 18216
350 1 1 . 1 1 63 63 ALA CB C 63 18.245 18.245 18.593 -0.348 18216
351 1 1 . 1 1 63 63 ALA H H 63 8.338 8.338 7.430 0.908 18216
352 1 1 . 1 1 64 64 THR N N 64 107.396 107.396 106.182 1.214 18216
353 1 1 . 1 1 64 64 THR HA H 64 4.038 4.038 4.353 -0.315 18216
354 1 1 . 1 1 64 64 THR C C 64 173.058 173.058 175.156 -2.098 18216
355 1 1 . 1 1 64 64 THR CA C 64 64.120 64.120 61.620 2.499 18216
356 1 1 . 1 1 64 64 THR CB C 64 69.241 69.241 68.624 0.617 18216
357 1 1 . 1 1 64 64 THR H H 64 7.534 7.534 7.988 -0.454 18216
358 1 1 . 1 1 65 65 LYS N N 65 118.248 118.248 120.081 -1.833 18216
359 1 1 . 1 1 65 65 LYS HA H 65 4.233 4.233 4.498 -0.265 18216
360 1 1 . 1 1 65 65 LYS C C 65 174.655 174.655 175.049 -0.394 18216
361 1 1 . 1 1 65 65 LYS CA C 65 56.591 56.591 55.154 1.437 18216
362 1 1 . 1 1 65 65 LYS CB C 65 33.090 33.090 33.793 -0.703 18216
363 1 1 . 1 1 65 65 LYS H H 65 7.201 7.201 7.799 -0.598 18216
364 1 1 . 1 1 66 66 ILE N N 66 121.918 121.918 112.573 9.345 18216
365 1 1 . 1 1 66 66 ILE HA H 66 3.872 3.872 4.529 -0.657 18216
366 1 1 . 1 1 66 66 ILE C C 66 172.490 172.490 174.881 -2.391 18216
367 1 1 . 1 1 66 66 ILE CA C 66 62.250 62.250 59.673 2.577 18216
368 1 1 . 1 1 66 66 ILE CB C 66 37.132 37.132 38.202 -1.070 18216
369 1 1 . 1 1 66 66 ILE H H 66 7.323 7.323 7.165 0.158 18216
370 1 1 . 1 1 67 67 LYS N N 67 126.438 126.438 121.093 5.345 18216
371 1 1 . 1 1 67 67 LYS HA H 67 4.787 4.787 4.281 0.506 18216
372 1 1 . 1 1 67 67 LYS C C 67 176.156 176.156 176.896 -0.740 18216
373 1 1 . 1 1 67 67 LYS CA C 67 56.078 56.078 58.548 -2.470 18216
374 1 1 . 1 1 67 67 LYS CB C 67 35.435 35.435 32.508 2.927 18216
375 1 1 . 1 1 67 67 LYS H H 67 9.625 9.625 8.305 1.320 18216
376 1 1 . 1 1 68 68 THR N N 68 111.201 111.201 110.517 0.684 18216
377 1 1 . 1 1 68 68 THR HA H 68 5.041 5.041 4.339 0.702 18216
378 1 1 . 1 1 68 68 THR C C 68 173.425 173.425 175.652 -2.227 18216
379 1 1 . 1 1 68 68 THR CA C 68 58.436 58.436 61.057 -2.621 18216
380 1 1 . 1 1 68 68 THR CB C 68 73.683 73.683 70.031 3.651 18216
381 1 1 . 1 1 68 68 THR H H 68 8.308 8.308 7.425 0.883 18216
382 1 1 . 1 1 69 69 VAL N N 69 120.740 120.740 120.788 -0.048 18216
383 1 1 . 1 1 69 69 VAL HA H 69 3.456 3.456 3.835 -0.379 18216
384 1 1 . 1 1 69 69 VAL C C 69 176.481 176.481 177.572 -1.091 18216
385 1 1 . 1 1 69 69 VAL CA C 69 67.506 67.506 66.127 1.379 18216
386 1 1 . 1 1 69 69 VAL CB C 69 31.255 31.255 30.573 0.682 18216
387 1 1 . 1 1 69 69 VAL H H 69 7.685 7.685 8.211 -0.526 18216
388 1 1 . 1 1 70 70 SER N N 70 114.441 114.441 115.271 -0.830 18216
389 1 1 . 1 1 70 70 SER HA H 70 4.094 4.094 4.294 -0.200 18216
390 1 1 . 1 1 70 70 SER C C 70 174.461 174.461 175.932 -1.471 18216
391 1 1 . 1 1 70 70 SER CA C 70 61.222 61.222 61.229 -0.007 18216
392 1 1 . 1 1 70 70 SER CB C 70 62.761 62.761 63.047 -0.286 18216
393 1 1 . 1 1 70 70 SER H H 70 8.866 8.866 8.455 0.411 18216
394 1 1 . 1 1 71 71 ASP N N 71 121.065 121.065 122.802 -1.737 18216
395 1 1 . 1 1 71 71 ASP HA H 71 4.434 4.434 4.593 -0.159 18216
396 1 1 . 1 1 71 71 ASP C C 71 177.272 177.272 178.288 -1.016 18216
397 1 1 . 1 1 71 71 ASP CA C 71 57.801 57.801 57.386 0.415 18216
398 1 1 . 1 1 71 71 ASP CB C 71 41.976 41.976 40.619 1.357 18216
399 1 1 . 1 1 71 71 ASP H H 71 8.094 8.094 7.940 0.154 18216
400 1 1 . 1 1 72 72 VAL N N 72 120.351 120.351 120.586 -0.235 18216
401 1 1 . 1 1 72 72 VAL HA H 72 3.706 3.706 3.792 -0.086 18216
402 1 1 . 1 1 72 72 VAL C C 72 174.409 174.409 176.965 -2.556 18216
403 1 1 . 1 1 72 72 VAL CA C 72 66.232 66.232 66.130 0.102 18216
404 1 1 . 1 1 72 72 VAL CB C 72 31.733 31.733 32.172 -0.439 18216
405 1 1 . 1 1 72 72 VAL H H 72 7.714 7.714 8.412 -0.698 18216
406 1 1 . 1 1 73 73 ILE N N 73 120.114 120.114 117.811 2.303 18216
407 1 1 . 1 1 73 73 ILE HA H 73 3.365 3.365 3.962 -0.597 18216
408 1 1 . 1 1 73 73 ILE C C 73 175.111 175.111 177.763 -2.652 18216
409 1 1 . 1 1 73 73 ILE CA C 73 66.114 66.114 62.567 3.547 18216
410 1 1 . 1 1 73 73 ILE CB C 73 38.264 38.264 36.647 1.617 18216
411 1 1 . 1 1 73 73 ILE H H 73 7.710 7.710 7.514 0.196 18216
412 1 1 . 1 1 74 74 LYS N N 74 118.158 118.158 121.320 -3.162 18216
413 1 1 . 1 1 74 74 LYS HA H 74 3.863 3.863 4.115 -0.252 18216
414 1 1 . 1 1 74 74 LYS C C 74 175.814 175.814 178.806 -2.992 18216
415 1 1 . 1 1 74 74 LYS CA C 74 59.868 59.868 58.949 0.919 18216
416 1 1 . 1 1 74 74 LYS CB C 74 32.727 32.727 32.677 0.050 18216
417 1 1 . 1 1 74 74 LYS H H 74 8.422 8.422 7.551 0.871 18216
418 1 1 . 1 1 75 75 TYR N N 75 119.834 119.834 120.673 -0.839 18216
419 1 1 . 1 1 75 75 TYR HA H 75 3.959 3.959 4.372 -0.413 18216
420 1 1 . 1 1 75 75 TYR C C 75 176.122 176.122 177.377 -1.255 18216
421 1 1 . 1 1 75 75 TYR CA C 75 62.025 62.025 61.491 0.534 18216
422 1 1 . 1 1 75 75 TYR CB C 75 38.891 38.891 39.357 -0.466 18216
423 1 1 . 1 1 75 75 TYR H H 75 7.701 7.701 8.315 -0.614 18216
424 1 1 . 1 1 76 76 ILE N N 76 117.609 117.609 118.632 -1.023 18216
425 1 1 . 1 1 76 76 ILE HA H 76 3.255 3.255 3.429 -0.174 18216
426 1 1 . 1 1 76 76 ILE C C 76 176.730 176.730 177.671 -0.941 18216
427 1 1 . 1 1 76 76 ILE CA C 76 65.383 65.383 65.308 0.076 18216
428 1 1 . 1 1 76 76 ILE CB C 76 38.797 38.797 37.253 1.544 18216
429 1 1 . 1 1 76 76 ILE H H 76 8.032 8.032 7.970 0.062 18216
430 1 1 . 1 1 77 77 LYS N N 77 117.750 117.750 120.517 -2.767 18216
431 1 1 . 1 1 77 77 LYS HA H 77 3.804 3.804 3.931 -0.127 18216
432 1 1 . 1 1 77 77 LYS C C 77 177.793 177.793 178.312 -0.519 18216
433 1 1 . 1 1 77 77 LYS CA C 77 60.288 60.288 59.420 0.868 18216
434 1 1 . 1 1 77 77 LYS CB C 77 32.504 32.504 31.952 0.552 18216
435 1 1 . 1 1 77 77 LYS H H 77 8.353 8.353 7.783 0.570 18216
436 1 1 . 1 1 78 78 GLU N N 78 117.517 117.517 116.507 1.010 18216
437 1 1 . 1 1 78 78 GLU HA H 78 4.048 4.048 4.048 -0.000 18216
438 1 1 . 1 1 78 78 GLU C C 78 175.974 175.974 177.846 -1.872 18216
439 1 1 . 1 1 78 78 GLU CA C 78 58.352 58.352 58.348 0.004 18216
440 1 1 . 1 1 78 78 GLU CB C 78 29.598 29.598 29.457 0.141 18216
441 1 1 . 1 1 78 78 GLU H H 78 8.057 8.057 7.763 0.294 18216
442 1 1 . 1 1 79 79 ARG N N 79 117.613 117.613 118.211 -0.598 18216
443 1 1 . 1 1 79 79 ARG HA H 79 4.271 4.271 4.020 0.251 18216
444 1 1 . 1 1 79 79 ARG C C 79 174.583 174.583 176.946 -2.363 18216
445 1 1 . 1 1 79 79 ARG CA C 79 55.965 55.965 56.278 -0.313 18216
446 1 1 . 1 1 79 79 ARG CB C 79 30.171 30.171 30.563 -0.392 18216
447 1 1 . 1 1 79 79 ARG H H 79 7.544 7.544 7.562 -0.018 18216
448 1 1 . 1 1 80 80 GLN N N 80 119.495 119.495 119.317 0.178 18216
449 1 1 . 1 1 80 80 GLN HA H 80 4.400 4.400 4.154 0.246 18216
450 1 1 . 1 1 80 80 GLN C C 80 173.178 173.178 175.252 -2.074 18216
451 1 1 . 1 1 80 80 GLN CA C 80 56.114 56.114 55.955 0.159 18216
452 1 1 . 1 1 80 80 GLN CB C 80 29.391 29.391 27.582 1.809 18216
453 1 1 . 1 1 80 80 GLN H H 80 7.675 7.675 7.714 -0.039 18216
454 1 2 . 1 1 4 4 THR HA H 4 4.199 4.199 4.016 0.183 18216
455 1 2 . 1 1 4 4 THR C C 4 172.396 172.396 175.952 -3.556 18216
456 1 2 . 1 1 4 4 THR CA C 4 62.877 62.877 66.141 -3.264 18216
457 1 2 . 1 1 4 4 THR CB C 4 69.501 69.501 69.095 0.406 18216
458 1 2 . 1 1 5 5 ASP N N 5 123.982 123.982 120.889 3.093 18216
459 1 2 . 1 1 5 5 ASP HA H 5 4.560 4.560 4.341 0.218 18216
460 1 2 . 1 1 5 5 ASP C C 5 174.716 174.716 177.550 -2.834 18216
461 1 2 . 1 1 5 5 ASP CA C 5 54.733 54.733 57.133 -2.400 18216
462 1 2 . 1 1 5 5 ASP CB C 5 41.451 41.451 40.693 0.758 18216
463 1 2 . 1 1 5 5 ASP H H 5 8.457 8.457 8.608 -0.151 18216
464 1 2 . 1 1 6 6 LYS N N 6 122.949 122.949 118.488 4.461 18216
465 1 2 . 1 1 6 6 LYS HA H 6 4.141 4.141 4.129 0.012 18216
466 1 2 . 1 1 6 6 LYS C C 6 177.076 177.076 178.911 -1.835 18216
467 1 2 . 1 1 6 6 LYS CA C 6 58.725 58.725 58.364 0.361 18216
468 1 2 . 1 1 6 6 LYS CB C 6 32.481 32.481 32.421 0.060 18216
469 1 2 . 1 1 6 6 LYS H H 6 8.421 8.421 7.614 0.807 18216
470 1 2 . 1 1 7 7 ILE N N 7 121.024 121.024 119.239 1.785 18216
471 1 2 . 1 1 7 7 ILE HA H 7 4.036 4.036 3.698 0.338 18216
472 1 2 . 1 1 7 7 ILE C C 7 174.780 174.780 177.317 -2.537 18216
473 1 2 . 1 1 7 7 ILE CA C 7 64.418 64.418 65.083 -0.665 18216
474 1 2 . 1 1 7 7 ILE CB C 7 37.541 37.541 37.678 -0.137 18216
475 1 2 . 1 1 7 7 ILE H H 7 8.055 8.055 7.898 0.157 18216
476 1 2 . 1 1 8 8 GLU N N 8 119.901 119.901 118.615 1.286 18216
477 1 2 . 1 1 8 8 GLU HA H 8 3.620 3.620 3.946 -0.326 18216
478 1 2 . 1 1 8 8 GLU C C 8 175.403 175.403 177.948 -2.545 18216
479 1 2 . 1 1 8 8 GLU CA C 8 60.226 60.226 59.422 0.804 18216
480 1 2 . 1 1 8 8 GLU CB C 8 29.793 29.793 29.263 0.530 18216
481 1 2 . 1 1 8 8 GLU H H 8 8.178 8.178 8.254 -0.076 18216
482 1 2 . 1 1 9 9 GLN N N 9 114.019 114.019 116.186 -2.167 18216
483 1 2 . 1 1 9 9 GLN HA H 9 3.887 3.887 4.363 -0.476 18216
484 1 2 . 1 1 9 9 GLN C C 9 176.383 176.383 178.084 -1.701 18216
485 1 2 . 1 1 9 9 GLN CA C 9 59.031 59.031 56.635 2.396 18216
486 1 2 . 1 1 9 9 GLN CB C 9 28.829 28.829 29.218 -0.389 18216
487 1 2 . 1 1 9 9 GLN H H 9 7.923 7.923 7.604 0.319 18216
488 1 2 . 1 1 10 10 LYS N N 10 119.999 119.999 122.170 -2.171 18216
489 1 2 . 1 1 10 10 LYS HA H 10 4.182 4.182 4.099 0.083 18216
490 1 2 . 1 1 10 10 LYS C C 10 176.671 176.671 178.409 -1.738 18216
491 1 2 . 1 1 10 10 LYS CA C 10 58.067 58.067 58.776 -0.709 18216
492 1 2 . 1 1 10 10 LYS CB C 10 31.522 31.522 32.025 -0.503 18216
493 1 2 . 1 1 10 10 LYS H H 10 7.783 7.783 7.904 -0.121 18216
494 1 2 . 1 1 11 11 VAL N N 11 119.291 119.291 121.234 -1.943 18216
495 1 2 . 1 1 11 11 VAL HA H 11 3.602 3.602 3.724 -0.122 18216
496 1 2 . 1 1 11 11 VAL C C 11 176.092 176.092 176.689 -0.597 18216
497 1 2 . 1 1 11 11 VAL CA C 11 67.715 67.715 66.104 1.611 18216
498 1 2 . 1 1 11 11 VAL CB C 11 30.791 30.791 31.897 -1.106 18216
499 1 2 . 1 1 11 11 VAL H H 11 8.928 8.928 7.973 0.955 18216
500 1 2 . 1 1 12 12 ILE N N 12 119.163 119.163 118.907 0.256 18216
501 1 2 . 1 1 12 12 ILE HA H 12 3.413 3.413 3.716 -0.303 18216
502 1 2 . 1 1 12 12 ILE C C 12 175.417 175.417 177.336 -1.919 18216
503 1 2 . 1 1 12 12 ILE CA C 12 68.032 68.032 64.617 3.415 18216
504 1 2 . 1 1 12 12 ILE CB C 12 37.135 37.135 37.832 -0.697 18216
505 1 2 . 1 1 12 12 ILE H H 12 8.255 8.255 7.431 0.824 18216
506 1 2 . 1 1 13 13 GLU N N 13 118.515 118.515 118.400 0.115 18216
507 1 2 . 1 1 13 13 GLU HA H 13 3.868 3.868 4.098 -0.230 18216
508 1 2 . 1 1 13 13 GLU C C 13 177.514 177.514 177.702 -0.188 18216
509 1 2 . 1 1 13 13 GLU CA C 13 60.145 60.145 58.774 1.371 18216
510 1 2 . 1 1 13 13 GLU CB C 13 29.487 29.487 29.456 0.031 18216
511 1 2 . 1 1 13 13 GLU H H 13 7.821 7.821 7.893 -0.072 18216
512 1 2 . 1 1 14 14 MET N N 14 120.174 120.174 118.051 2.123 18216
513 1 2 . 1 1 14 14 MET HA H 14 4.168 4.168 4.209 -0.041 18216
514 1 2 . 1 1 14 14 MET C C 14 176.631 176.631 177.715 -1.084 18216
515 1 2 . 1 1 14 14 MET CA C 14 59.409 59.409 58.119 1.290 18216
516 1 2 . 1 1 14 14 MET CB C 14 33.931 33.931 33.184 0.747 18216
517 1 2 . 1 1 14 14 MET H H 14 8.610 8.610 7.335 1.275 18216
518 1 2 . 1 1 15 15 VAL N N 15 120.579 120.579 118.655 1.924 18216
519 1 2 . 1 1 15 15 VAL HA H 15 3.441 3.441 3.592 -0.151 18216
520 1 2 . 1 1 15 15 VAL C C 15 175.086 175.086 177.891 -2.805 18216
521 1 2 . 1 1 15 15 VAL CA C 15 67.096 67.096 66.757 0.339 18216
522 1 2 . 1 1 15 15 VAL CB C 15 31.481 31.481 30.789 0.692 18216
523 1 2 . 1 1 15 15 VAL H H 15 8.975 8.975 8.582 0.393 18216
524 1 2 . 1 1 16 16 ALA N N 16 121.102 121.102 121.150 -0.048 18216
525 1 2 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.456 -0.678 18216
526 1 2 . 1 1 16 16 ALA C C 16 178.027 178.027 178.504 -0.477 18216
527 1 2 . 1 1 16 16 ALA CA C 16 55.944 55.944 54.358 1.586 18216
528 1 2 . 1 1 16 16 ALA CB C 16 18.234 18.234 18.738 -0.505 18216
529 1 2 . 1 1 16 16 ALA H H 16 8.387 8.387 7.632 0.755 18216
530 1 2 . 1 1 17 17 GLU N N 17 115.683 115.683 117.423 -1.740 18216
531 1 2 . 1 1 17 17 GLU HA H 17 4.102 4.102 4.357 -0.255 18216
532 1 2 . 1 1 17 17 GLU C C 17 177.810 177.810 177.882 -0.072 18216
533 1 2 . 1 1 17 17 GLU CA C 17 59.241 59.241 57.241 2.000 18216
534 1 2 . 1 1 17 17 GLU CB C 17 30.175 30.175 30.025 0.150 18216
535 1 2 . 1 1 17 17 GLU H H 17 8.043 8.043 8.003 0.040 18216
536 1 2 . 1 1 18 18 LYS N N 18 116.582 116.582 118.899 -2.317 18216
537 1 2 . 1 1 18 18 LYS HA H 18 4.186 4.186 4.159 0.027 18216
538 1 2 . 1 1 18 18 LYS C C 18 175.949 175.949 176.840 -0.891 18216
539 1 2 . 1 1 18 18 LYS CA C 18 57.029 57.029 58.915 -1.886 18216
540 1 2 . 1 1 18 18 LYS CB C 18 31.479 31.479 32.994 -1.515 18216
541 1 2 . 1 1 18 18 LYS H H 18 8.669 8.669 8.013 0.656 18216
542 1 2 . 1 1 19 19 LEU N N 19 113.633 113.633 118.185 -4.552 18216
543 1 2 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.244 0.247 18216
544 1 2 . 1 1 19 19 LEU C C 19 174.261 174.261 175.233 -0.972 18216
545 1 2 . 1 1 19 19 LEU CA C 19 54.230 54.230 53.127 1.103 18216
546 1 2 . 1 1 19 19 LEU CB C 19 40.477 40.477 41.121 -0.644 18216
547 1 2 . 1 1 19 19 LEU H H 19 8.226 8.226 7.294 0.932 18216
548 1 2 . 1 1 20 20 ASN N N 20 117.866 117.866 118.111 -0.245 18216
549 1 2 . 1 1 20 20 ASN HA H 20 4.416 4.416 4.448 -0.032 18216
550 1 2 . 1 1 20 20 ASN C C 20 172.278 172.278 174.066 -1.788 18216
551 1 2 . 1 1 20 20 ASN CA C 20 54.058 54.058 54.147 -0.089 18216
552 1 2 . 1 1 20 20 ASN CB C 20 36.788 36.788 37.481 -0.693 18216
553 1 2 . 1 1 20 20 ASN H H 20 7.616 7.616 8.033 -0.417 18216
554 1 2 . 1 1 21 21 LYS N N 21 117.035 117.035 119.781 -2.746 18216
555 1 2 . 1 1 21 21 LYS HA H 21 4.717 4.717 4.400 0.317 18216
556 1 2 . 1 1 21 21 LYS C C 21 173.009 173.009 175.982 -2.973 18216
557 1 2 . 1 1 21 21 LYS CA C 21 52.589 52.589 55.350 -2.761 18216
558 1 2 . 1 1 21 21 LYS CB C 21 36.114 36.114 33.660 2.454 18216
559 1 2 . 1 1 21 21 LYS H H 21 8.473 8.473 7.279 1.194 18216
560 1 2 . 1 1 22 22 ASP N N 22 120.954 120.954 126.177 -5.223 18216
561 1 2 . 1 1 22 22 ASP HA H 22 4.422 4.422 4.426 -0.004 18216
562 1 2 . 1 1 22 22 ASP C C 22 175.257 175.257 177.700 -2.443 18216
563 1 2 . 1 1 22 22 ASP CA C 22 54.220 54.220 54.754 -0.534 18216
564 1 2 . 1 1 22 22 ASP CB C 22 41.895 41.895 42.465 -0.570 18216
565 1 2 . 1 1 22 22 ASP H H 22 8.261 8.261 8.831 -0.570 18216
566 1 2 . 1 1 23 23 LYS N N 23 125.865 125.865 124.481 1.384 18216
567 1 2 . 1 1 23 23 LYS HA H 23 3.742 3.742 4.053 -0.311 18216
568 1 2 . 1 1 23 23 LYS C C 23 175.599 175.599 176.770 -1.171 18216
569 1 2 . 1 1 23 23 LYS CA C 23 59.607 59.607 58.652 0.955 18216
570 1 2 . 1 1 23 23 LYS CB C 23 32.184 32.184 32.114 0.070 18216
571 1 2 . 1 1 23 23 LYS H H 23 8.697 8.697 8.635 0.062 18216
572 1 2 . 1 1 24 24 ALA N N 24 118.731 118.731 120.234 -1.503 18216
573 1 2 . 1 1 24 24 ALA HA H 24 4.110 4.110 4.318 -0.208 18216
574 1 2 . 1 1 24 24 ALA C C 24 177.449 177.449 177.770 -0.321 18216
575 1 2 . 1 1 24 24 ALA CA C 24 54.192 54.192 52.787 1.405 18216
576 1 2 . 1 1 24 24 ALA CB C 24 19.018 19.018 19.094 -0.076 18216
577 1 2 . 1 1 24 24 ALA H H 24 8.509 8.509 8.003 0.506 18216
578 1 2 . 1 1 25 25 ILE N N 25 110.020 110.020 116.327 -6.307 18216
579 1 2 . 1 1 25 25 ILE HA H 25 4.406 4.406 4.263 0.143 18216
580 1 2 . 1 1 25 25 ILE C C 25 173.524 173.524 175.565 -2.041 18216
581 1 2 . 1 1 25 25 ILE CA C 25 60.373 60.373 61.521 -1.148 18216
582 1 2 . 1 1 25 25 ILE CB C 25 38.423 38.423 39.963 -1.540 18216
583 1 2 . 1 1 25 25 ILE H H 25 7.562 7.562 7.787 -0.225 18216
584 1 2 . 1 1 26 26 ILE N N 26 122.932 122.932 122.618 0.314 18216
585 1 2 . 1 1 26 26 ILE HA H 26 3.961 3.961 3.998 -0.037 18216
586 1 2 . 1 1 26 26 ILE C C 26 172.610 172.610 176.132 -3.522 18216
587 1 2 . 1 1 26 26 ILE CA C 26 61.520 61.520 62.021 -0.501 18216
588 1 2 . 1 1 26 26 ILE CB C 26 37.367 37.367 35.705 1.662 18216
589 1 2 . 1 1 26 26 ILE H H 26 7.377 7.377 7.588 -0.211 18216
590 1 2 . 1 1 27 27 THR N N 27 116.747 116.747 119.037 -2.290 18216
591 1 2 . 1 1 27 27 THR HA H 27 4.857 4.857 4.696 0.161 18216
592 1 2 . 1 1 27 27 THR C C 27 174.186 174.186 174.640 -0.454 18216
593 1 2 . 1 1 27 27 THR CA C 27 58.917 58.917 60.380 -1.463 18216
594 1 2 . 1 1 27 27 THR CB C 27 72.257 72.257 70.658 1.599 18216
595 1 2 . 1 1 27 27 THR H H 27 8.549 8.549 7.789 0.760 18216
596 1 2 . 1 1 28 28 THR N N 28 110.578 110.578 107.800 2.778 18216
597 1 2 . 1 1 28 28 THR HA H 28 3.743 3.743 4.250 -0.507 18216
598 1 2 . 1 1 28 28 THR C C 28 172.642 172.642 175.343 -2.701 18216
599 1 2 . 1 1 28 28 THR CA C 28 65.306 65.306 63.664 1.642 18216
600 1 2 . 1 1 28 28 THR CB C 28 67.621 67.621 69.595 -1.974 18216
601 1 2 . 1 1 28 28 THR H H 28 8.817 8.817 8.188 0.629 18216
602 1 2 . 1 1 29 29 ASP N N 29 117.036 117.036 120.679 -3.643 18216
603 1 2 . 1 1 29 29 ASP HA H 29 4.719 4.719 4.632 0.087 18216
604 1 2 . 1 1 29 29 ASP C C 29 174.246 174.246 176.501 -2.255 18216
605 1 2 . 1 1 29 29 ASP CA C 29 54.208 54.208 54.780 -0.572 18216
606 1 2 . 1 1 29 29 ASP CB C 29 41.567 41.567 40.568 0.999 18216
607 1 2 . 1 1 29 29 ASP H H 29 7.777 7.777 8.200 -0.423 18216
608 1 2 . 1 1 30 30 SER N N 30 117.171 117.171 114.476 2.695 18216
609 1 2 . 1 1 30 30 SER HA H 30 4.063 4.063 4.159 -0.096 18216
610 1 2 . 1 1 30 30 SER C C 30 171.138 171.138 174.161 -3.023 18216
611 1 2 . 1 1 30 30 SER CA C 30 61.581 61.581 59.784 1.797 18216
612 1 2 . 1 1 30 30 SER CB C 30 63.349 63.349 62.068 1.281 18216
613 1 2 . 1 1 30 30 SER H H 30 7.619 7.619 7.890 -0.271 18216
614 1 2 . 1 1 31 31 ARG N N 31 124.648 124.648 120.999 3.649 18216
615 1 2 . 1 1 31 31 ARG HA H 31 4.644 4.644 4.251 0.393 18216
616 1 2 . 1 1 31 31 ARG C C 31 176.660 176.660 176.303 0.357 18216
617 1 2 . 1 1 31 31 ARG CA C 31 54.323 54.323 54.066 0.257 18216
618 1 2 . 1 1 31 31 ARG CB C 31 30.539 30.539 29.628 0.911 18216
619 1 2 . 1 1 31 31 ARG H H 31 10.379 10.379 8.030 2.349 18216
620 1 2 . 1 1 32 32 PHE N N 32 124.068 124.068 118.047 6.021 18216
621 1 2 . 1 1 32 32 PHE HA H 32 3.964 3.964 4.224 -0.260 18216
622 1 2 . 1 1 32 32 PHE C C 32 173.376 173.376 177.457 -4.081 18216
623 1 2 . 1 1 32 32 PHE CA C 32 62.578 62.578 59.871 2.707 18216
624 1 2 . 1 1 32 32 PHE CB C 32 38.147 38.147 37.655 0.492 18216
625 1 2 . 1 1 32 32 PHE H H 32 7.833 7.833 7.564 0.269 18216
626 1 2 . 1 1 33 33 ILE N N 33 116.395 116.395 120.206 -3.811 18216
627 1 2 . 1 1 33 33 ILE HA H 33 4.044 4.044 3.776 0.268 18216
628 1 2 . 1 1 33 33 ILE C C 33 178.005 178.005 176.860 1.145 18216
629 1 2 . 1 1 33 33 ILE CA C 33 64.293 64.293 63.627 0.666 18216
630 1 2 . 1 1 33 33 ILE CB C 33 36.905 36.905 37.885 -0.980 18216
631 1 2 . 1 1 33 33 ILE H H 33 8.696 8.696 7.523 1.173 18216
632 1 2 . 1 1 34 34 GLU N N 34 117.346 117.346 118.718 -1.372 18216
633 1 2 . 1 1 34 34 GLU HA H 34 3.859 3.859 4.147 -0.288 18216
634 1 2 . 1 1 34 34 GLU C C 34 175.723 175.723 178.375 -2.652 18216
635 1 2 . 1 1 34 34 GLU CA C 34 62.485 62.485 58.887 3.598 18216
636 1 2 . 1 1 34 34 GLU CB C 34 29.032 29.032 29.521 -0.489 18216
637 1 2 . 1 1 34 34 GLU H H 34 9.408 9.408 7.653 1.755 18216
638 1 2 . 1 1 35 35 ASP N N 35 112.053 112.053 119.367 -7.314 18216
639 1 2 . 1 1 35 35 ASP HA H 35 5.026 5.026 4.397 0.629 18216
640 1 2 . 1 1 35 35 ASP C C 35 175.237 175.237 177.929 -2.692 18216
641 1 2 . 1 1 35 35 ASP CA C 35 55.996 55.996 56.579 -0.583 18216
642 1 2 . 1 1 35 35 ASP CB C 35 41.508 41.508 41.147 0.361 18216
643 1 2 . 1 1 35 35 ASP H H 35 7.527 7.527 8.177 -0.650 18216
644 1 2 . 1 1 36 36 LEU N N 36 115.898 115.898 118.427 -2.529 18216
645 1 2 . 1 1 36 36 LEU HA H 36 4.274 4.274 4.344 -0.070 18216
646 1 2 . 1 1 36 36 LEU C C 36 172.955 172.955 176.655 -3.700 18216
647 1 2 . 1 1 36 36 LEU CA C 36 54.739 54.739 55.033 -0.294 18216
648 1 2 . 1 1 36 36 LEU CB C 36 40.891 40.891 42.484 -1.593 18216
649 1 2 . 1 1 36 36 LEU H H 36 7.648 7.648 7.715 -0.067 18216
650 1 2 . 1 1 37 37 LYS N N 37 114.307 114.307 117.019 -2.712 18216
651 1 2 . 1 1 37 37 LYS HA H 37 4.207 4.207 4.096 0.111 18216
652 1 2 . 1 1 37 37 LYS C C 37 174.539 174.539 175.390 -0.851 18216
653 1 2 . 1 1 37 37 LYS CA C 37 55.942 55.942 56.795 -0.853 18216
654 1 2 . 1 1 37 37 LYS CB C 37 28.513 28.513 29.942 -1.429 18216
655 1 2 . 1 1 37 37 LYS H H 37 7.247 7.247 7.372 -0.125 18216
656 1 2 . 1 1 38 38 ALA N N 38 121.453 121.453 122.258 -0.805 18216
657 1 2 . 1 1 38 38 ALA HA H 38 4.392 4.392 4.183 0.209 18216
658 1 2 . 1 1 38 38 ALA C C 38 175.605 175.605 176.848 -1.243 18216
659 1 2 . 1 1 38 38 ALA CA C 38 52.008 52.008 52.927 -0.919 18216
660 1 2 . 1 1 38 38 ALA CB C 38 20.568 20.568 19.865 0.703 18216
661 1 2 . 1 1 38 38 ALA H H 38 8.442 8.442 7.677 0.765 18216
662 1 2 . 1 1 39 39 ASP N N 39 123.391 123.391 120.868 2.523 18216
663 1 2 . 1 1 39 39 ASP HA H 39 4.782 4.782 4.720 0.062 18216
664 1 2 . 1 1 39 39 ASP C C 39 175.798 175.798 177.566 -1.768 18216
665 1 2 . 1 1 39 39 ASP CA C 39 52.823 52.823 53.922 -1.099 18216
666 1 2 . 1 1 39 39 ASP CB C 39 42.613 42.613 42.668 -0.055 18216
667 1 2 . 1 1 39 39 ASP H H 39 9.038 9.038 8.444 0.594 18216
668 1 2 . 1 1 40 40 SER N N 40 116.961 116.961 116.287 0.674 18216
669 1 2 . 1 1 40 40 SER HA H 40 4.226 4.226 4.349 -0.123 18216
670 1 2 . 1 1 40 40 SER C C 40 174.197 174.197 176.443 -2.246 18216
671 1 2 . 1 1 40 40 SER CA C 40 60.234 60.234 61.371 -1.137 18216
672 1 2 . 1 1 40 40 SER CB C 40 65.619 65.619 63.742 1.877 18216
673 1 2 . 1 1 40 40 SER H H 40 8.936 8.936 8.562 0.374 18216
674 1 2 . 1 1 41 41 LEU N N 41 124.152 124.152 116.706 7.446 18216
675 1 2 . 1 1 41 41 LEU HA H 41 4.187 4.187 4.486 -0.299 18216
676 1 2 . 1 1 41 41 LEU C C 41 175.316 175.316 177.358 -2.042 18216
677 1 2 . 1 1 41 41 LEU CA C 41 57.873 57.873 57.217 0.656 18216
678 1 2 . 1 1 41 41 LEU CB C 41 41.085 41.085 41.410 -0.325 18216
679 1 2 . 1 1 41 41 LEU H H 41 8.279 8.279 7.904 0.375 18216
680 1 2 . 1 1 42 42 ASP N N 42 120.193 120.193 118.813 1.380 18216
681 1 2 . 1 1 42 42 ASP HA H 42 4.415 4.415 4.593 -0.178 18216
682 1 2 . 1 1 42 42 ASP C C 42 176.858 176.858 178.394 -1.536 18216
683 1 2 . 1 1 42 42 ASP CA C 42 57.144 57.144 57.196 -0.052 18216
684 1 2 . 1 1 42 42 ASP CB C 42 40.895 40.895 40.431 0.464 18216
685 1 2 . 1 1 42 42 ASP H H 42 8.002 8.002 8.398 -0.396 18216
686 1 2 . 1 1 43 43 THR N N 43 112.919 112.919 115.106 -2.187 18216
687 1 2 . 1 1 43 43 THR HA H 43 3.554 3.554 4.005 -0.451 18216
688 1 2 . 1 1 43 43 THR CA C 43 66.658 66.658 66.162 0.496 18216
689 1 2 . 1 1 43 43 THR CB C 43 68.423 68.423 68.221 0.202 18216
690 1 2 . 1 1 43 43 THR H H 43 7.939 7.939 7.610 0.329 18216
691 1 2 . 1 1 44 44 VAL HA H 44 3.645 3.645 3.591 0.054 18216
692 1 2 . 1 1 44 44 VAL C C 44 176.576 176.576 177.804 -1.228 18216
693 1 2 . 1 1 44 44 VAL CA C 44 66.873 66.873 67.042 -0.169 18216
694 1 2 . 1 1 44 44 VAL CB C 44 31.658 31.658 31.313 0.345 18216
695 1 2 . 1 1 45 45 GLU N N 45 119.120 119.120 119.624 -0.504 18216
696 1 2 . 1 1 45 45 GLU HA H 45 4.060 4.060 4.154 -0.094 18216
697 1 2 . 1 1 45 45 GLU C C 45 178.332 178.332 178.906 -0.574 18216
698 1 2 . 1 1 45 45 GLU CA C 45 59.618 59.618 58.763 0.855 18216
699 1 2 . 1 1 45 45 GLU CB C 45 29.229 29.229 29.773 -0.544 18216
700 1 2 . 1 1 45 45 GLU H H 45 7.867 7.867 7.551 0.316 18216
701 1 2 . 1 1 46 46 LEU N N 46 121.527 121.527 119.334 2.193 18216
702 1 2 . 1 1 46 46 LEU HA H 46 3.997 3.997 4.051 -0.054 18216
703 1 2 . 1 1 46 46 LEU C C 46 175.472 175.472 179.371 -3.899 18216
704 1 2 . 1 1 46 46 LEU CA C 46 58.391 58.391 57.776 0.615 18216
705 1 2 . 1 1 46 46 LEU CB C 46 41.312 41.312 41.977 -0.665 18216
706 1 2 . 1 1 46 46 LEU H H 46 8.200 8.200 7.984 0.216 18216
707 1 2 . 1 1 47 47 MET N N 47 117.675 117.675 115.163 2.512 18216
708 1 2 . 1 1 47 47 MET HA H 47 4.141 4.141 4.163 -0.022 18216
709 1 2 . 1 1 47 47 MET C C 47 177.030 177.030 178.114 -1.084 18216
710 1 2 . 1 1 47 47 MET CA C 47 57.924 57.924 57.718 0.206 18216
711 1 2 . 1 1 47 47 MET CB C 47 31.672 31.672 32.812 -1.140 18216
712 1 2 . 1 1 47 47 MET H H 47 8.330 8.330 8.249 0.081 18216
713 1 2 . 1 1 48 48 MET N N 48 117.614 117.614 121.225 -3.611 18216
714 1 2 . 1 1 48 48 MET HA H 48 4.343 4.343 4.126 0.217 18216
715 1 2 . 1 1 48 48 MET C C 48 176.562 176.562 177.313 -0.751 18216
716 1 2 . 1 1 48 48 MET CA C 48 58.942 58.942 57.952 0.990 18216
717 1 2 . 1 1 48 48 MET CB C 48 32.951 32.951 31.937 1.014 18216
718 1 2 . 1 1 48 48 MET H H 48 8.148 8.148 7.653 0.495 18216
719 1 2 . 1 1 49 49 ALA N N 49 121.729 121.729 121.598 0.131 18216
720 1 2 . 1 1 49 49 ALA HA H 49 4.220 4.220 4.105 0.115 18216
721 1 2 . 1 1 49 49 ALA C C 49 179.111 179.111 179.732 -0.621 18216
722 1 2 . 1 1 49 49 ALA CA C 49 54.902 54.902 54.737 0.165 18216
723 1 2 . 1 1 49 49 ALA CB C 49 17.956 17.956 17.942 0.014 18216
724 1 2 . 1 1 49 49 ALA H H 49 7.890 7.890 7.818 0.072 18216
725 1 2 . 1 1 50 50 ILE N N 50 122.294 122.294 116.522 5.772 18216
726 1 2 . 1 1 50 50 ILE HA H 50 3.716 3.716 4.094 -0.378 18216
727 1 2 . 1 1 50 50 ILE C C 50 175.507 175.507 177.669 -2.162 18216
728 1 2 . 1 1 50 50 ILE CA C 50 64.908 64.908 62.477 2.431 18216
729 1 2 . 1 1 50 50 ILE CB C 50 36.664 36.664 36.812 -0.148 18216
730 1 2 . 1 1 50 50 ILE H H 50 8.428 8.428 8.217 0.211 18216
731 1 2 . 1 1 51 51 GLU N N 51 120.060 120.060 120.242 -0.182 18216
732 1 2 . 1 1 51 51 GLU HA H 51 4.059 4.059 4.384 -0.325 18216
733 1 2 . 1 1 51 51 GLU C C 51 178.398 178.398 179.452 -1.054 18216
734 1 2 . 1 1 51 51 GLU CA C 51 60.419 60.419 58.249 2.170 18216
735 1 2 . 1 1 51 51 GLU CB C 51 30.212 30.212 29.762 0.450 18216
736 1 2 . 1 1 51 51 GLU H H 51 8.281 8.281 8.075 0.206 18216
737 1 2 . 1 1 52 52 VAL N N 52 117.342 117.342 116.487 0.855 18216
738 1 2 . 1 1 52 52 VAL HA H 52 3.725 3.725 3.946 -0.221 18216
739 1 2 . 1 1 52 52 VAL C C 52 176.701 176.701 177.328 -0.627 18216
740 1 2 . 1 1 52 52 VAL CA C 52 65.682 65.682 65.377 0.305 18216
741 1 2 . 1 1 52 52 VAL CB C 52 32.278 32.278 31.263 1.015 18216
742 1 2 . 1 1 52 52 VAL H H 52 7.714 7.714 7.647 0.067 18216
743 1 2 . 1 1 53 53 GLU N N 53 120.657 120.657 120.574 0.083 18216
744 1 2 . 1 1 53 53 GLU HA H 53 3.876 3.876 4.152 -0.276 18216
745 1 2 . 1 1 53 53 GLU C C 53 175.734 175.734 178.338 -2.604 18216
746 1 2 . 1 1 53 53 GLU CA C 53 58.823 58.823 57.979 0.844 18216
747 1 2 . 1 1 53 53 GLU CB C 53 29.817 29.817 29.687 0.130 18216
748 1 2 . 1 1 53 53 GLU H H 53 8.191 8.191 7.906 0.285 18216
749 1 2 . 1 1 54 54 TYR N N 54 111.170 111.170 117.972 -6.802 18216
750 1 2 . 1 1 54 54 TYR HA H 54 4.483 4.483 4.386 0.097 18216
751 1 2 . 1 1 54 54 TYR C C 54 174.031 174.031 177.187 -3.156 18216
752 1 2 . 1 1 54 54 TYR CA C 54 59.478 59.478 60.027 -0.549 18216
753 1 2 . 1 1 54 54 TYR CB C 54 39.373 39.373 39.520 -0.147 18216
754 1 2 . 1 1 54 54 TYR H H 54 8.106 8.106 7.726 0.380 18216
755 1 2 . 1 1 55 55 GLY N N 55 112.483 112.483 107.633 4.850 18216
756 1 2 . 1 1 55 55 GLY C C 55 172.863 172.863 174.355 -1.492 18216
757 1 2 . 1 1 55 55 GLY CA C 55 47.593 47.593 45.606 1.987 18216
758 1 2 . 1 1 55 55 GLY H H 55 8.047 8.047 8.059 -0.012 18216
759 1 2 . 1 1 56 56 ILE N N 56 112.002 112.002 113.374 -1.372 18216
760 1 2 . 1 1 56 56 ILE HA H 56 4.692 4.692 4.646 0.046 18216
761 1 2 . 1 1 56 56 ILE C C 56 171.179 171.179 173.609 -2.430 18216
762 1 2 . 1 1 56 56 ILE CA C 56 58.776 58.776 58.227 0.549 18216
763 1 2 . 1 1 56 56 ILE CB C 56 42.063 42.063 39.942 2.121 18216
764 1 2 . 1 1 56 56 ILE H H 56 7.491 7.491 7.217 0.274 18216
765 1 2 . 1 1 57 57 ASP N N 57 119.662 119.662 119.707 -0.045 18216
766 1 2 . 1 1 57 57 ASP HA H 57 4.940 4.940 5.062 -0.122 18216
767 1 2 . 1 1 57 57 ASP C C 57 174.016 174.016 175.000 -0.984 18216
768 1 2 . 1 1 57 57 ASP CA C 57 52.946 52.946 53.853 -0.907 18216
769 1 2 . 1 1 57 57 ASP CB C 57 43.115 43.115 43.491 -0.376 18216
770 1 2 . 1 1 57 57 ASP H H 57 8.314 8.314 8.267 0.047 18216
771 1 2 . 1 1 58 58 ILE N N 58 125.903 125.903 123.185 2.718 18216
772 1 2 . 1 1 58 58 ILE HA H 58 4.360 4.360 4.476 -0.116 18216
773 1 2 . 1 1 58 58 ILE C C 58 170.591 170.591 173.734 -3.143 18216
774 1 2 . 1 1 58 58 ILE CA C 58 59.354 59.354 58.807 0.547 18216
775 1 2 . 1 1 58 58 ILE CB C 58 37.984 37.984 40.466 -2.482 18216
776 1 2 . 1 1 58 58 ILE H H 58 9.901 9.901 8.063 1.838 18216
777 1 2 . 1 1 59 59 PRO HA H 59 4.536 4.536 4.580 -0.044 18216
778 1 2 . 1 1 59 59 PRO C C 59 175.502 175.502 177.129 -1.627 18216
779 1 2 . 1 1 59 59 PRO CA C 59 62.523 62.523 62.222 0.301 18216
780 1 2 . 1 1 59 59 PRO CB C 59 32.790 32.790 32.635 0.156 18216
781 1 2 . 1 1 60 60 ASP N N 60 122.930 122.930 120.283 2.647 18216
782 1 2 . 1 1 60 60 ASP HA H 60 4.233 4.233 4.249 -0.016 18216
783 1 2 . 1 1 60 60 ASP C C 60 175.742 175.742 178.234 -2.492 18216
784 1 2 . 1 1 60 60 ASP CA C 60 57.966 57.966 57.262 0.704 18216
785 1 2 . 1 1 60 60 ASP CB C 60 40.410 40.410 40.259 0.151 18216
786 1 2 . 1 1 60 60 ASP H H 60 8.880 8.880 8.664 0.216 18216
787 1 2 . 1 1 61 61 ASP N N 61 115.336 115.336 117.945 -2.609 18216
788 1 2 . 1 1 61 61 ASP HA H 61 4.342 4.342 4.401 -0.059 18216
789 1 2 . 1 1 61 61 ASP C C 61 176.158 176.158 177.260 -1.102 18216
790 1 2 . 1 1 61 61 ASP CA C 61 56.199 56.199 56.682 -0.483 18216
791 1 2 . 1 1 61 61 ASP CB C 61 39.990 39.990 40.215 -0.225 18216
792 1 2 . 1 1 61 61 ASP H H 61 8.736 8.736 8.776 -0.040 18216
793 1 2 . 1 1 62 62 GLU N N 62 118.044 118.044 116.166 1.878 18216
794 1 2 . 1 1 62 62 GLU HA H 62 4.237 4.237 4.485 -0.248 18216
795 1 2 . 1 1 62 62 GLU C C 62 177.114 177.114 176.476 0.638 18216
796 1 2 . 1 1 62 62 GLU CA C 62 57.354 57.354 54.871 2.483 18216
797 1 2 . 1 1 62 62 GLU CB C 62 29.151 29.151 28.889 0.262 18216
798 1 2 . 1 1 62 62 GLU H H 62 7.419 7.419 7.920 -0.501 18216
799 1 2 . 1 1 63 63 ALA N N 63 123.014 123.014 123.198 -0.184 18216
800 1 2 . 1 1 63 63 ALA HA H 63 3.708 3.708 4.141 -0.433 18216
801 1 2 . 1 1 63 63 ALA C C 63 177.936 177.936 177.319 0.617 18216
802 1 2 . 1 1 63 63 ALA CA C 63 55.400 55.400 54.639 0.761 18216
803 1 2 . 1 1 63 63 ALA CB C 63 18.245 18.245 18.763 -0.518 18216
804 1 2 . 1 1 63 63 ALA H H 63 8.338 8.338 7.789 0.549 18216
805 1 2 . 1 1 64 64 THR N N 64 107.396 107.396 106.825 0.571 18216
806 1 2 . 1 1 64 64 THR HA H 64 4.038 4.038 4.418 -0.380 18216
807 1 2 . 1 1 64 64 THR C C 64 173.058 173.058 174.998 -1.940 18216
808 1 2 . 1 1 64 64 THR CA C 64 64.120 64.120 62.092 2.028 18216
809 1 2 . 1 1 64 64 THR CB C 64 69.241 69.241 68.401 0.840 18216
810 1 2 . 1 1 64 64 THR H H 64 7.534 7.534 7.857 -0.323 18216
811 1 2 . 1 1 65 65 LYS N N 65 118.248 118.248 120.323 -2.075 18216
812 1 2 . 1 1 65 65 LYS HA H 65 4.233 4.233 4.593 -0.360 18216
813 1 2 . 1 1 65 65 LYS C C 65 174.655 174.655 174.644 0.011 18216
814 1 2 . 1 1 65 65 LYS CA C 65 56.591 56.591 55.523 1.068 18216
815 1 2 . 1 1 65 65 LYS CB C 65 33.090 33.090 34.187 -1.097 18216
816 1 2 . 1 1 65 65 LYS H H 65 7.201 7.201 7.553 -0.352 18216
817 1 2 . 1 1 66 66 ILE N N 66 121.918 121.918 112.470 9.448 18216
818 1 2 . 1 1 66 66 ILE HA H 66 3.872 3.872 4.565 -0.693 18216
819 1 2 . 1 1 66 66 ILE C C 66 172.490 172.490 175.142 -2.652 18216
820 1 2 . 1 1 66 66 ILE CA C 66 62.250 62.250 59.678 2.572 18216
821 1 2 . 1 1 66 66 ILE CB C 66 37.132 37.132 38.307 -1.175 18216
822 1 2 . 1 1 66 66 ILE H H 66 7.323 7.323 7.230 0.093 18216
823 1 2 . 1 1 67 67 LYS N N 67 126.438 126.438 121.498 4.940 18216
824 1 2 . 1 1 67 67 LYS HA H 67 4.787 4.787 4.265 0.522 18216
825 1 2 . 1 1 67 67 LYS C C 67 176.156 176.156 176.326 -0.170 18216
826 1 2 . 1 1 67 67 LYS CA C 67 56.078 56.078 58.734 -2.656 18216
827 1 2 . 1 1 67 67 LYS CB C 67 35.435 35.435 32.322 3.113 18216
828 1 2 . 1 1 67 67 LYS H H 67 9.625 9.625 8.380 1.245 18216
829 1 2 . 1 1 68 68 THR N N 68 111.201 111.201 109.790 1.411 18216
830 1 2 . 1 1 68 68 THR HA H 68 5.041 5.041 4.382 0.659 18216
831 1 2 . 1 1 68 68 THR C C 68 173.425 173.425 175.639 -2.214 18216
832 1 2 . 1 1 68 68 THR CA C 68 58.436 58.436 60.595 -2.159 18216
833 1 2 . 1 1 68 68 THR CB C 68 73.683 73.683 69.548 4.135 18216
834 1 2 . 1 1 68 68 THR H H 68 8.308 8.308 7.516 0.792 18216
835 1 2 . 1 1 69 69 VAL N N 69 120.740 120.740 121.054 -0.314 18216
836 1 2 . 1 1 69 69 VAL HA H 69 3.456 3.456 3.803 -0.347 18216
837 1 2 . 1 1 69 69 VAL C C 69 176.481 176.481 177.623 -1.142 18216
838 1 2 . 1 1 69 69 VAL CA C 69 67.506 67.506 66.374 1.132 18216
839 1 2 . 1 1 69 69 VAL CB C 69 31.255 31.255 30.864 0.390 18216
840 1 2 . 1 1 69 69 VAL H H 69 7.685 7.685 8.543 -0.858 18216
841 1 2 . 1 1 70 70 SER N N 70 114.441 114.441 115.489 -1.048 18216
842 1 2 . 1 1 70 70 SER HA H 70 4.094 4.094 4.279 -0.185 18216
843 1 2 . 1 1 70 70 SER C C 70 174.461 174.461 175.999 -1.538 18216
844 1 2 . 1 1 70 70 SER CA C 70 61.222 61.222 61.218 0.004 18216
845 1 2 . 1 1 70 70 SER CB C 70 62.761 62.761 62.976 -0.215 18216
846 1 2 . 1 1 70 70 SER H H 70 8.866 8.866 8.210 0.656 18216
847 1 2 . 1 1 71 71 ASP N N 71 121.065 121.065 122.373 -1.308 18216
848 1 2 . 1 1 71 71 ASP HA H 71 4.434 4.434 4.591 -0.157 18216
849 1 2 . 1 1 71 71 ASP C C 71 177.272 177.272 178.319 -1.047 18216
850 1 2 . 1 1 71 71 ASP CA C 71 57.801 57.801 57.316 0.485 18216
851 1 2 . 1 1 71 71 ASP CB C 71 41.976 41.976 40.502 1.474 18216
852 1 2 . 1 1 71 71 ASP H H 71 8.094 8.094 7.916 0.178 18216
853 1 2 . 1 1 72 72 VAL N N 72 120.351 120.351 120.777 -0.426 18216
854 1 2 . 1 1 72 72 VAL HA H 72 3.706 3.706 3.827 -0.121 18216
855 1 2 . 1 1 72 72 VAL C C 72 174.409 174.409 176.932 -2.523 18216
856 1 2 . 1 1 72 72 VAL CA C 72 66.232 66.232 65.925 0.307 18216
857 1 2 . 1 1 72 72 VAL CB C 72 31.733 31.733 31.740 -0.007 18216
858 1 2 . 1 1 72 72 VAL H H 72 7.714 7.714 8.419 -0.705 18216
859 1 2 . 1 1 73 73 ILE N N 73 120.114 120.114 117.174 2.940 18216
860 1 2 . 1 1 73 73 ILE HA H 73 3.365 3.365 4.006 -0.641 18216
861 1 2 . 1 1 73 73 ILE C C 73 175.111 175.111 177.988 -2.877 18216
862 1 2 . 1 1 73 73 ILE CA C 73 66.114 66.114 62.261 3.853 18216
863 1 2 . 1 1 73 73 ILE CB C 73 38.264 38.264 36.531 1.733 18216
864 1 2 . 1 1 73 73 ILE H H 73 7.710 7.710 7.534 0.176 18216
865 1 2 . 1 1 74 74 LYS N N 74 118.158 118.158 120.938 -2.780 18216
866 1 2 . 1 1 74 74 LYS HA H 74 3.863 3.863 4.133 -0.270 18216
867 1 2 . 1 1 74 74 LYS C C 74 175.814 175.814 178.547 -2.733 18216
868 1 2 . 1 1 74 74 LYS CA C 74 59.868 59.868 58.731 1.137 18216
869 1 2 . 1 1 74 74 LYS CB C 74 32.727 32.727 32.812 -0.085 18216
870 1 2 . 1 1 74 74 LYS H H 74 8.422 8.422 7.573 0.849 18216
871 1 2 . 1 1 75 75 TYR N N 75 119.834 119.834 120.187 -0.353 18216
872 1 2 . 1 1 75 75 TYR HA H 75 3.959 3.959 4.316 -0.357 18216
873 1 2 . 1 1 75 75 TYR C C 75 176.122 176.122 177.932 -1.810 18216
874 1 2 . 1 1 75 75 TYR CA C 75 62.025 62.025 61.424 0.601 18216
875 1 2 . 1 1 75 75 TYR CB C 75 38.891 38.891 39.475 -0.584 18216
876 1 2 . 1 1 75 75 TYR H H 75 7.701 7.701 8.192 -0.491 18216
877 1 2 . 1 1 76 76 ILE N N 76 117.609 117.609 119.440 -1.831 18216
878 1 2 . 1 1 76 76 ILE HA H 76 3.255 3.255 3.440 -0.185 18216
879 1 2 . 1 1 76 76 ILE C C 76 176.730 176.730 177.337 -0.607 18216
880 1 2 . 1 1 76 76 ILE CA C 76 65.383 65.383 65.435 -0.052 18216
881 1 2 . 1 1 76 76 ILE CB C 76 38.797 38.797 37.228 1.569 18216
882 1 2 . 1 1 76 76 ILE H H 76 8.032 8.032 8.021 0.011 18216
883 1 2 . 1 1 77 77 LYS N N 77 117.750 117.750 119.218 -1.468 18216
884 1 2 . 1 1 77 77 LYS HA H 77 3.804 3.804 3.865 -0.061 18216
885 1 2 . 1 1 77 77 LYS C C 77 177.793 177.793 177.905 -0.112 18216
886 1 2 . 1 1 77 77 LYS CA C 77 60.288 60.288 59.577 0.711 18216
887 1 2 . 1 1 77 77 LYS CB C 77 32.504 32.504 31.975 0.529 18216
888 1 2 . 1 1 77 77 LYS H H 77 8.353 8.353 7.822 0.531 18216
889 1 2 . 1 1 78 78 GLU N N 78 117.517 117.517 115.838 1.679 18216
890 1 2 . 1 1 78 78 GLU HA H 78 4.048 4.048 4.139 -0.091 18216
891 1 2 . 1 1 78 78 GLU C C 78 175.974 175.974 178.042 -2.068 18216
892 1 2 . 1 1 78 78 GLU CA C 78 58.352 58.352 57.474 0.878 18216
893 1 2 . 1 1 78 78 GLU CB C 78 29.598 29.598 29.763 -0.165 18216
894 1 2 . 1 1 78 78 GLU H H 78 8.057 8.057 7.714 0.343 18216
895 1 2 . 1 1 79 79 ARG N N 79 117.613 117.613 118.513 -0.900 18216
896 1 2 . 1 1 79 79 ARG HA H 79 4.271 4.271 4.026 0.245 18216
897 1 2 . 1 1 79 79 ARG C C 79 174.583 174.583 177.143 -2.560 18216
898 1 2 . 1 1 79 79 ARG CA C 79 55.965 55.965 57.533 -1.568 18216
899 1 2 . 1 1 79 79 ARG CB C 79 30.171 30.171 31.030 -0.859 18216
900 1 2 . 1 1 79 79 ARG H H 79 7.544 7.544 7.531 0.013 18216
901 1 2 . 1 1 80 80 GLN N N 80 119.495 119.495 117.597 1.898 18216
902 1 2 . 1 1 80 80 GLN HA H 80 4.400 4.400 4.530 -0.130 18216
903 1 2 . 1 1 80 80 GLN C C 80 173.178 173.178 174.331 -1.153 18216
904 1 2 . 1 1 80 80 GLN CA C 80 56.114 56.114 54.188 1.926 18216
905 1 2 . 1 1 80 80 GLN CB C 80 29.391 29.391 30.843 -1.452 18216
906 1 2 . 1 1 80 80 GLN H H 80 7.675 7.675 8.084 -0.409 18216
907 1 3 . 1 1 4 4 THR HA H 4 4.199 4.199 4.088 0.111 18216
908 1 3 . 1 1 4 4 THR C C 4 172.396 172.396 173.694 -1.298 18216
909 1 3 . 1 1 4 4 THR CA C 4 62.877 62.877 62.924 -0.047 18216
910 1 3 . 1 1 4 4 THR CB C 4 69.501 69.501 68.549 0.952 18216
911 1 3 . 1 1 5 5 ASP N N 5 123.982 123.982 120.464 3.518 18216
912 1 3 . 1 1 5 5 ASP HA H 5 4.560 4.560 4.564 -0.004 18216
913 1 3 . 1 1 5 5 ASP C C 5 174.716 174.716 177.607 -2.891 18216
914 1 3 . 1 1 5 5 ASP CA C 5 54.733 54.733 55.432 -0.699 18216
915 1 3 . 1 1 5 5 ASP CB C 5 41.451 41.451 41.300 0.151 18216
916 1 3 . 1 1 5 5 ASP H H 5 8.457 8.457 8.571 -0.114 18216
917 1 3 . 1 1 6 6 LYS N N 6 122.949 122.949 121.043 1.906 18216
918 1 3 . 1 1 6 6 LYS HA H 6 4.141 4.141 4.240 -0.099 18216
919 1 3 . 1 1 6 6 LYS C C 6 177.076 177.076 178.971 -1.895 18216
920 1 3 . 1 1 6 6 LYS CA C 6 58.725 58.725 58.574 0.151 18216
921 1 3 . 1 1 6 6 LYS CB C 6 32.481 32.481 32.127 0.354 18216
922 1 3 . 1 1 6 6 LYS H H 6 8.421 8.421 8.426 -0.005 18216
923 1 3 . 1 1 7 7 ILE N N 7 121.024 121.024 117.574 3.450 18216
924 1 3 . 1 1 7 7 ILE HA H 7 4.036 4.036 3.866 0.170 18216
925 1 3 . 1 1 7 7 ILE C C 7 174.780 174.780 177.355 -2.575 18216
926 1 3 . 1 1 7 7 ILE CA C 7 64.418 64.418 64.101 0.317 18216
927 1 3 . 1 1 7 7 ILE CB C 7 37.541 37.541 37.505 0.036 18216
928 1 3 . 1 1 7 7 ILE H H 7 8.055 8.055 8.156 -0.101 18216
929 1 3 . 1 1 8 8 GLU N N 8 119.901 119.901 118.977 0.924 18216
930 1 3 . 1 1 8 8 GLU HA H 8 3.620 3.620 3.864 -0.244 18216
931 1 3 . 1 1 8 8 GLU C C 8 175.403 175.403 179.039 -3.636 18216
932 1 3 . 1 1 8 8 GLU CA C 8 60.226 60.226 59.269 0.957 18216
933 1 3 . 1 1 8 8 GLU CB C 8 29.793 29.793 29.587 0.206 18216
934 1 3 . 1 1 8 8 GLU H H 8 8.178 8.178 7.570 0.608 18216
935 1 3 . 1 1 9 9 GLN N N 9 114.019 114.019 118.831 -4.812 18216
936 1 3 . 1 1 9 9 GLN HA H 9 3.887 3.887 4.145 -0.258 18216
937 1 3 . 1 1 9 9 GLN C C 9 176.383 176.383 178.557 -2.174 18216
938 1 3 . 1 1 9 9 GLN CA C 9 59.031 59.031 58.265 0.766 18216
939 1 3 . 1 1 9 9 GLN CB C 9 28.829 28.829 28.792 0.037 18216
940 1 3 . 1 1 9 9 GLN H H 9 7.923 7.923 8.150 -0.227 18216
941 1 3 . 1 1 10 10 LYS N N 10 119.999 119.999 119.923 0.076 18216
942 1 3 . 1 1 10 10 LYS HA H 10 4.182 4.182 4.165 0.017 18216
943 1 3 . 1 1 10 10 LYS C C 10 176.671 176.671 177.769 -1.098 18216
944 1 3 . 1 1 10 10 LYS CA C 10 58.067 58.067 57.826 0.241 18216
945 1 3 . 1 1 10 10 LYS CB C 10 31.522 31.522 32.123 -0.601 18216
946 1 3 . 1 1 10 10 LYS H H 10 7.783 7.783 8.032 -0.249 18216
947 1 3 . 1 1 11 11 VAL N N 11 119.291 119.291 120.907 -1.616 18216
948 1 3 . 1 1 11 11 VAL HA H 11 3.602 3.602 3.865 -0.263 18216
949 1 3 . 1 1 11 11 VAL C C 11 176.092 176.092 176.616 -0.524 18216
950 1 3 . 1 1 11 11 VAL CA C 11 67.715 67.715 65.618 2.097 18216
951 1 3 . 1 1 11 11 VAL CB C 11 30.791 30.791 32.100 -1.309 18216
952 1 3 . 1 1 11 11 VAL H H 11 8.928 8.928 7.893 1.035 18216
953 1 3 . 1 1 12 12 ILE N N 12 119.163 119.163 119.698 -0.535 18216
954 1 3 . 1 1 12 12 ILE HA H 12 3.413 3.413 3.743 -0.330 18216
955 1 3 . 1 1 12 12 ILE C C 12 175.417 175.417 177.069 -1.652 18216
956 1 3 . 1 1 12 12 ILE CA C 12 68.032 68.032 64.474 3.558 18216
957 1 3 . 1 1 12 12 ILE CB C 12 37.135 37.135 37.759 -0.624 18216
958 1 3 . 1 1 12 12 ILE H H 12 8.255 8.255 7.294 0.961 18216
959 1 3 . 1 1 13 13 GLU N N 13 118.515 118.515 118.489 0.026 18216
960 1 3 . 1 1 13 13 GLU HA H 13 3.868 3.868 4.048 -0.180 18216
961 1 3 . 1 1 13 13 GLU C C 13 177.514 177.514 177.868 -0.354 18216
962 1 3 . 1 1 13 13 GLU CA C 13 60.145 60.145 58.635 1.510 18216
963 1 3 . 1 1 13 13 GLU CB C 13 29.487 29.487 29.594 -0.107 18216
964 1 3 . 1 1 13 13 GLU H H 13 7.821 7.821 8.391 -0.570 18216
965 1 3 . 1 1 14 14 MET N N 14 120.174 120.174 119.753 0.421 18216
966 1 3 . 1 1 14 14 MET HA H 14 4.168 4.168 4.167 0.001 18216
967 1 3 . 1 1 14 14 MET C C 14 176.631 176.631 177.775 -1.144 18216
968 1 3 . 1 1 14 14 MET CA C 14 59.409 59.409 58.182 1.227 18216
969 1 3 . 1 1 14 14 MET CB C 14 33.931 33.931 33.155 0.776 18216
970 1 3 . 1 1 14 14 MET H H 14 8.610 8.610 7.448 1.162 18216
971 1 3 . 1 1 15 15 VAL N N 15 120.579 120.579 118.851 1.728 18216
972 1 3 . 1 1 15 15 VAL HA H 15 3.441 3.441 3.560 -0.119 18216
973 1 3 . 1 1 15 15 VAL C C 15 175.086 175.086 177.525 -2.439 18216
974 1 3 . 1 1 15 15 VAL CA C 15 67.096 67.096 66.589 0.507 18216
975 1 3 . 1 1 15 15 VAL CB C 15 31.481 31.481 31.303 0.178 18216
976 1 3 . 1 1 15 15 VAL H H 15 8.975 8.975 7.934 1.041 18216
977 1 3 . 1 1 16 16 ALA N N 16 121.102 121.102 120.756 0.346 18216
978 1 3 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.406 -0.628 18216
979 1 3 . 1 1 16 16 ALA C C 16 178.027 178.027 178.508 -0.481 18216
980 1 3 . 1 1 16 16 ALA CA C 16 55.944 55.944 54.285 1.659 18216
981 1 3 . 1 1 16 16 ALA CB C 16 18.234 18.234 18.684 -0.450 18216
982 1 3 . 1 1 16 16 ALA H H 16 8.387 8.387 7.611 0.776 18216
983 1 3 . 1 1 17 17 GLU N N 17 115.683 115.683 117.872 -2.189 18216
984 1 3 . 1 1 17 17 GLU HA H 17 4.102 4.102 4.322 -0.220 18216
985 1 3 . 1 1 17 17 GLU C C 17 177.810 177.810 178.035 -0.225 18216
986 1 3 . 1 1 17 17 GLU CA C 17 59.241 59.241 57.322 1.919 18216
987 1 3 . 1 1 17 17 GLU CB C 17 30.175 30.175 29.918 0.257 18216
988 1 3 . 1 1 17 17 GLU H H 17 8.043 8.043 7.851 0.192 18216
989 1 3 . 1 1 18 18 LYS N N 18 116.582 116.582 118.552 -1.970 18216
990 1 3 . 1 1 18 18 LYS HA H 18 4.186 4.186 3.978 0.208 18216
991 1 3 . 1 1 18 18 LYS C C 18 175.949 175.949 176.806 -0.857 18216
992 1 3 . 1 1 18 18 LYS CA C 18 57.029 57.029 58.758 -1.729 18216
993 1 3 . 1 1 18 18 LYS CB C 18 31.479 31.479 32.740 -1.261 18216
994 1 3 . 1 1 18 18 LYS H H 18 8.669 8.669 8.075 0.594 18216
995 1 3 . 1 1 19 19 LEU N N 19 113.633 113.633 115.940 -2.307 18216
996 1 3 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.361 0.130 18216
997 1 3 . 1 1 19 19 LEU C C 19 174.261 174.261 174.966 -0.705 18216
998 1 3 . 1 1 19 19 LEU CA C 19 54.230 54.230 52.665 1.565 18216
999 1 3 . 1 1 19 19 LEU CB C 19 40.477 40.477 40.816 -0.339 18216
1000 1 3 . 1 1 19 19 LEU H H 19 8.226 8.226 7.299 0.927 18216
1001 1 3 . 1 1 20 20 ASN N N 20 117.866 117.866 115.506 2.360 18216
1002 1 3 . 1 1 20 20 ASN HA H 20 4.416 4.416 4.431 -0.015 18216
1003 1 3 . 1 1 20 20 ASN C C 20 172.278 172.278 174.493 -2.215 18216
1004 1 3 . 1 1 20 20 ASN CA C 20 54.058 54.058 54.096 -0.038 18216
1005 1 3 . 1 1 20 20 ASN CB C 20 36.788 36.788 36.829 -0.041 18216
1006 1 3 . 1 1 20 20 ASN H H 20 7.616 7.616 7.262 0.354 18216
1007 1 3 . 1 1 21 21 LYS N N 21 117.035 117.035 119.629 -2.594 18216
1008 1 3 . 1 1 21 21 LYS HA H 21 4.717 4.717 4.326 0.391 18216
1009 1 3 . 1 1 21 21 LYS C C 21 173.009 173.009 176.187 -3.178 18216
1010 1 3 . 1 1 21 21 LYS CA C 21 52.589 52.589 55.335 -2.746 18216
1011 1 3 . 1 1 21 21 LYS CB C 21 36.114 36.114 33.325 2.789 18216
1012 1 3 . 1 1 21 21 LYS H H 21 8.473 8.473 7.295 1.178 18216
1013 1 3 . 1 1 22 22 ASP N N 22 120.954 120.954 126.236 -5.282 18216
1014 1 3 . 1 1 22 22 ASP HA H 22 4.422 4.422 4.491 -0.069 18216
1015 1 3 . 1 1 22 22 ASP C C 22 175.257 175.257 177.787 -2.530 18216
1016 1 3 . 1 1 22 22 ASP CA C 22 54.220 54.220 54.615 -0.395 18216
1017 1 3 . 1 1 22 22 ASP CB C 22 41.895 41.895 42.197 -0.302 18216
1018 1 3 . 1 1 22 22 ASP H H 22 8.261 8.261 8.823 -0.562 18216
1019 1 3 . 1 1 23 23 LYS N N 23 125.865 125.865 124.702 1.163 18216
1020 1 3 . 1 1 23 23 LYS HA H 23 3.742 3.742 4.024 -0.282 18216
1021 1 3 . 1 1 23 23 LYS C C 23 175.599 175.599 177.338 -1.739 18216
1022 1 3 . 1 1 23 23 LYS CA C 23 59.607 59.607 59.037 0.570 18216
1023 1 3 . 1 1 23 23 LYS CB C 23 32.184 32.184 32.383 -0.199 18216
1024 1 3 . 1 1 23 23 LYS H H 23 8.697 8.697 8.652 0.045 18216
1025 1 3 . 1 1 24 24 ALA N N 24 118.731 118.731 119.647 -0.916 18216
1026 1 3 . 1 1 24 24 ALA HA H 24 4.110 4.110 4.234 -0.124 18216
1027 1 3 . 1 1 24 24 ALA C C 24 177.449 177.449 178.158 -0.709 18216
1028 1 3 . 1 1 24 24 ALA CA C 24 54.192 54.192 53.467 0.725 18216
1029 1 3 . 1 1 24 24 ALA CB C 24 19.018 19.018 18.949 0.069 18216
1030 1 3 . 1 1 24 24 ALA H H 24 8.509 8.509 8.089 0.420 18216
1031 1 3 . 1 1 25 25 ILE N N 25 110.020 110.020 116.615 -6.595 18216
1032 1 3 . 1 1 25 25 ILE HA H 25 4.406 4.406 4.182 0.224 18216
1033 1 3 . 1 1 25 25 ILE C C 25 173.524 173.524 176.014 -2.490 18216
1034 1 3 . 1 1 25 25 ILE CA C 25 60.373 60.373 61.447 -1.074 18216
1035 1 3 . 1 1 25 25 ILE CB C 25 38.423 38.423 39.797 -1.375 18216
1036 1 3 . 1 1 25 25 ILE H H 25 7.562 7.562 7.739 -0.177 18216
1037 1 3 . 1 1 26 26 ILE N N 26 122.932 122.932 122.821 0.111 18216
1038 1 3 . 1 1 26 26 ILE HA H 26 3.961 3.961 3.992 -0.031 18216
1039 1 3 . 1 1 26 26 ILE C C 26 172.610 172.610 175.594 -2.984 18216
1040 1 3 . 1 1 26 26 ILE CA C 26 61.520 61.520 62.592 -1.071 18216
1041 1 3 . 1 1 26 26 ILE CB C 26 37.367 37.367 36.382 0.985 18216
1042 1 3 . 1 1 26 26 ILE H H 26 7.377 7.377 7.491 -0.114 18216
1043 1 3 . 1 1 27 27 THR N N 27 116.747 116.747 117.762 -1.015 18216
1044 1 3 . 1 1 27 27 THR HA H 27 4.857 4.857 4.605 0.252 18216
1045 1 3 . 1 1 27 27 THR C C 27 174.186 174.186 175.460 -1.274 18216
1046 1 3 . 1 1 27 27 THR CA C 27 58.917 58.917 60.145 -1.228 18216
1047 1 3 . 1 1 27 27 THR CB C 27 72.257 72.257 72.002 0.255 18216
1048 1 3 . 1 1 27 27 THR H H 27 8.549 8.549 7.617 0.932 18216
1049 1 3 . 1 1 28 28 THR N N 28 110.578 110.578 117.221 -6.643 18216
1050 1 3 . 1 1 28 28 THR HA H 28 3.743 3.743 4.052 -0.309 18216
1051 1 3 . 1 1 28 28 THR C C 28 172.642 172.642 174.857 -2.215 18216
1052 1 3 . 1 1 28 28 THR CA C 28 65.306 65.306 64.366 0.940 18216
1053 1 3 . 1 1 28 28 THR CB C 28 67.621 67.621 68.927 -1.306 18216
1054 1 3 . 1 1 28 28 THR H H 28 8.817 8.817 8.815 0.002 18216
1055 1 3 . 1 1 29 29 ASP N N 29 117.036 117.036 121.021 -3.985 18216
1056 1 3 . 1 1 29 29 ASP HA H 29 4.719 4.719 4.765 -0.046 18216
1057 1 3 . 1 1 29 29 ASP C C 29 174.246 174.246 175.566 -1.320 18216
1058 1 3 . 1 1 29 29 ASP CA C 29 54.208 54.208 53.476 0.732 18216
1059 1 3 . 1 1 29 29 ASP CB C 29 41.567 41.567 40.477 1.090 18216
1060 1 3 . 1 1 29 29 ASP H H 29 7.777 7.777 8.450 -0.673 18216
1061 1 3 . 1 1 30 30 SER N N 30 117.171 117.171 116.096 1.075 18216
1062 1 3 . 1 1 30 30 SER HA H 30 4.063 4.063 4.260 -0.197 18216
1063 1 3 . 1 1 30 30 SER C C 30 171.138 171.138 174.349 -3.211 18216
1064 1 3 . 1 1 30 30 SER CA C 30 61.581 61.581 59.460 2.121 18216
1065 1 3 . 1 1 30 30 SER CB C 30 63.349 63.349 64.141 -0.792 18216
1066 1 3 . 1 1 30 30 SER H H 30 7.619 7.619 7.772 -0.153 18216
1067 1 3 . 1 1 31 31 ARG N N 31 124.648 124.648 125.773 -1.125 18216
1068 1 3 . 1 1 31 31 ARG HA H 31 4.644 4.644 4.367 0.277 18216
1069 1 3 . 1 1 31 31 ARG C C 31 176.660 176.660 176.449 0.211 18216
1070 1 3 . 1 1 31 31 ARG CA C 31 54.323 54.323 54.819 -0.496 18216
1071 1 3 . 1 1 31 31 ARG CB C 31 30.539 30.539 30.229 0.310 18216
1072 1 3 . 1 1 31 31 ARG H H 31 10.379 10.379 8.659 1.720 18216
1073 1 3 . 1 1 32 32 PHE N N 32 124.068 124.068 118.122 5.946 18216
1074 1 3 . 1 1 32 32 PHE HA H 32 3.964 3.964 4.221 -0.257 18216
1075 1 3 . 1 1 32 32 PHE C C 32 173.376 173.376 176.952 -3.576 18216
1076 1 3 . 1 1 32 32 PHE CA C 32 62.578 62.578 59.939 2.639 18216
1077 1 3 . 1 1 32 32 PHE CB C 32 38.147 38.147 38.048 0.099 18216
1078 1 3 . 1 1 32 32 PHE H H 32 7.833 7.833 7.805 0.028 18216
1079 1 3 . 1 1 33 33 ILE N N 33 116.395 116.395 119.842 -3.447 18216
1080 1 3 . 1 1 33 33 ILE HA H 33 4.044 4.044 3.840 0.204 18216
1081 1 3 . 1 1 33 33 ILE C C 33 178.005 178.005 177.308 0.697 18216
1082 1 3 . 1 1 33 33 ILE CA C 33 64.293 64.293 63.717 0.576 18216
1083 1 3 . 1 1 33 33 ILE CB C 33 36.905 36.905 37.946 -1.041 18216
1084 1 3 . 1 1 33 33 ILE H H 33 8.696 8.696 7.331 1.365 18216
1085 1 3 . 1 1 34 34 GLU N N 34 117.346 117.346 118.983 -1.637 18216
1086 1 3 . 1 1 34 34 GLU HA H 34 3.859 3.859 4.169 -0.310 18216
1087 1 3 . 1 1 34 34 GLU C C 34 175.723 175.723 178.181 -2.458 18216
1088 1 3 . 1 1 34 34 GLU CA C 34 62.485 62.485 58.561 3.924 18216
1089 1 3 . 1 1 34 34 GLU CB C 34 29.032 29.032 29.503 -0.471 18216
1090 1 3 . 1 1 34 34 GLU H H 34 9.408 9.408 7.735 1.673 18216
1091 1 3 . 1 1 35 35 ASP N N 35 112.053 112.053 119.806 -7.753 18216
1092 1 3 . 1 1 35 35 ASP HA H 35 5.026 5.026 4.390 0.636 18216
1093 1 3 . 1 1 35 35 ASP C C 35 175.237 175.237 177.598 -2.361 18216
1094 1 3 . 1 1 35 35 ASP CA C 35 55.996 55.996 56.703 -0.707 18216
1095 1 3 . 1 1 35 35 ASP CB C 35 41.508 41.508 41.026 0.482 18216
1096 1 3 . 1 1 35 35 ASP H H 35 7.527 7.527 8.358 -0.831 18216
1097 1 3 . 1 1 36 36 LEU N N 36 115.898 115.898 119.026 -3.128 18216
1098 1 3 . 1 1 36 36 LEU HA H 36 4.274 4.274 4.333 -0.059 18216
1099 1 3 . 1 1 36 36 LEU C C 36 172.955 172.955 176.300 -3.345 18216
1100 1 3 . 1 1 36 36 LEU CA C 36 54.739 54.739 55.008 -0.269 18216
1101 1 3 . 1 1 36 36 LEU CB C 36 40.891 40.891 42.663 -1.772 18216
1102 1 3 . 1 1 36 36 LEU H H 36 7.648 7.648 7.745 -0.097 18216
1103 1 3 . 1 1 37 37 LYS N N 37 114.307 114.307 118.079 -3.772 18216
1104 1 3 . 1 1 37 37 LYS HA H 37 4.207 4.207 4.045 0.162 18216
1105 1 3 . 1 1 37 37 LYS C C 37 174.539 174.539 175.113 -0.574 18216
1106 1 3 . 1 1 37 37 LYS CA C 37 55.942 55.942 56.631 -0.689 18216
1107 1 3 . 1 1 37 37 LYS CB C 37 28.513 28.513 29.906 -1.393 18216
1108 1 3 . 1 1 37 37 LYS H H 37 7.247 7.247 7.414 -0.167 18216
1109 1 3 . 1 1 38 38 ALA N N 38 121.453 121.453 122.700 -1.247 18216
1110 1 3 . 1 1 38 38 ALA HA H 38 4.392 4.392 4.189 0.203 18216
1111 1 3 . 1 1 38 38 ALA C C 38 175.605 175.605 177.432 -1.827 18216
1112 1 3 . 1 1 38 38 ALA CA C 38 52.008 52.008 52.450 -0.443 18216
1113 1 3 . 1 1 38 38 ALA CB C 38 20.568 20.568 19.240 1.328 18216
1114 1 3 . 1 1 38 38 ALA H H 38 8.442 8.442 7.609 0.833 18216
1115 1 3 . 1 1 39 39 ASP N N 39 123.391 123.391 125.170 -1.779 18216
1116 1 3 . 1 1 39 39 ASP HA H 39 4.782 4.782 4.535 0.247 18216
1117 1 3 . 1 1 39 39 ASP C C 39 175.798 175.798 177.139 -1.341 18216
1118 1 3 . 1 1 39 39 ASP CA C 39 52.823 52.823 54.188 -1.365 18216
1119 1 3 . 1 1 39 39 ASP CB C 39 42.613 42.613 41.270 1.343 18216
1120 1 3 . 1 1 39 39 ASP H H 39 9.038 9.038 8.420 0.618 18216
1121 1 3 . 1 1 40 40 SER N N 40 116.961 116.961 115.378 1.583 18216
1122 1 3 . 1 1 40 40 SER HA H 40 4.226 4.226 4.320 -0.094 18216
1123 1 3 . 1 1 40 40 SER C C 40 174.197 174.197 176.631 -2.434 18216
1124 1 3 . 1 1 40 40 SER CA C 40 60.234 60.234 61.259 -1.025 18216
1125 1 3 . 1 1 40 40 SER CB C 40 65.619 65.619 63.374 2.245 18216
1126 1 3 . 1 1 40 40 SER H H 40 8.936 8.936 8.435 0.501 18216
1127 1 3 . 1 1 41 41 LEU N N 41 124.152 124.152 116.547 7.605 18216
1128 1 3 . 1 1 41 41 LEU HA H 41 4.187 4.187 4.292 -0.105 18216
1129 1 3 . 1 1 41 41 LEU C C 41 175.316 175.316 177.392 -2.076 18216
1130 1 3 . 1 1 41 41 LEU CA C 41 57.873 57.873 57.635 0.238 18216
1131 1 3 . 1 1 41 41 LEU CB C 41 41.085 41.085 40.984 0.101 18216
1132 1 3 . 1 1 41 41 LEU H H 41 8.279 8.279 8.084 0.195 18216
1133 1 3 . 1 1 42 42 ASP N N 42 120.193 120.193 119.360 0.833 18216
1134 1 3 . 1 1 42 42 ASP HA H 42 4.415 4.415 4.540 -0.125 18216
1135 1 3 . 1 1 42 42 ASP C C 42 176.858 176.858 178.516 -1.658 18216
1136 1 3 . 1 1 42 42 ASP CA C 42 57.144 57.144 56.965 0.179 18216
1137 1 3 . 1 1 42 42 ASP CB C 42 40.895 40.895 40.600 0.295 18216
1138 1 3 . 1 1 42 42 ASP H H 42 8.002 8.002 8.310 -0.308 18216
1139 1 3 . 1 1 43 43 THR N N 43 112.919 112.919 115.791 -2.872 18216
1140 1 3 . 1 1 43 43 THR HA H 43 3.554 3.554 3.924 -0.370 18216
1141 1 3 . 1 1 43 43 THR CA C 43 66.658 66.658 66.392 0.266 18216
1142 1 3 . 1 1 43 43 THR CB C 43 68.423 68.423 68.666 -0.243 18216
1143 1 3 . 1 1 43 43 THR H H 43 7.939 7.939 7.918 0.021 18216
1144 1 3 . 1 1 44 44 VAL HA H 44 3.645 3.645 3.637 0.008 18216
1145 1 3 . 1 1 44 44 VAL C C 44 176.576 176.576 177.823 -1.247 18216
1146 1 3 . 1 1 44 44 VAL CA C 44 66.873 66.873 66.270 0.603 18216
1147 1 3 . 1 1 44 44 VAL CB C 44 31.658 31.658 31.217 0.441 18216
1148 1 3 . 1 1 45 45 GLU N N 45 119.120 119.120 119.756 -0.636 18216
1149 1 3 . 1 1 45 45 GLU HA H 45 4.060 4.060 4.179 -0.119 18216
1150 1 3 . 1 1 45 45 GLU C C 45 178.332 178.332 178.624 -0.292 18216
1151 1 3 . 1 1 45 45 GLU CA C 45 59.618 59.618 58.529 1.089 18216
1152 1 3 . 1 1 45 45 GLU CB C 45 29.229 29.229 29.904 -0.675 18216
1153 1 3 . 1 1 45 45 GLU H H 45 7.867 7.867 7.561 0.306 18216
1154 1 3 . 1 1 46 46 LEU N N 46 121.527 121.527 120.572 0.955 18216
1155 1 3 . 1 1 46 46 LEU HA H 46 3.997 3.997 3.980 0.017 18216
1156 1 3 . 1 1 46 46 LEU C C 46 175.472 175.472 179.720 -4.248 18216
1157 1 3 . 1 1 46 46 LEU CA C 46 58.391 58.391 58.077 0.314 18216
1158 1 3 . 1 1 46 46 LEU CB C 46 41.312 41.312 42.139 -0.827 18216
1159 1 3 . 1 1 46 46 LEU H H 46 8.200 8.200 8.250 -0.050 18216
1160 1 3 . 1 1 47 47 MET N N 47 117.675 117.675 116.234 1.441 18216
1161 1 3 . 1 1 47 47 MET HA H 47 4.141 4.141 4.019 0.122 18216
1162 1 3 . 1 1 47 47 MET C C 47 177.030 177.030 178.419 -1.389 18216
1163 1 3 . 1 1 47 47 MET CA C 47 57.924 57.924 58.429 -0.505 18216
1164 1 3 . 1 1 47 47 MET CB C 47 31.672 31.672 32.151 -0.479 18216
1165 1 3 . 1 1 47 47 MET H H 47 8.330 8.330 8.749 -0.419 18216
1166 1 3 . 1 1 48 48 MET N N 48 117.614 117.614 120.585 -2.971 18216
1167 1 3 . 1 1 48 48 MET HA H 48 4.343 4.343 4.419 -0.076 18216
1168 1 3 . 1 1 48 48 MET C C 48 176.562 176.562 177.873 -1.311 18216
1169 1 3 . 1 1 48 48 MET CA C 48 58.942 58.942 57.587 1.355 18216
1170 1 3 . 1 1 48 48 MET CB C 48 32.951 32.951 31.653 1.298 18216
1171 1 3 . 1 1 48 48 MET H H 48 8.148 8.148 7.806 0.342 18216
1172 1 3 . 1 1 49 49 ALA N N 49 121.729 121.729 122.239 -0.510 18216
1173 1 3 . 1 1 49 49 ALA HA H 49 4.220 4.220 4.044 0.176 18216
1174 1 3 . 1 1 49 49 ALA C C 49 179.111 179.111 179.423 -0.312 18216
1175 1 3 . 1 1 49 49 ALA CA C 49 54.902 54.902 54.911 -0.009 18216
1176 1 3 . 1 1 49 49 ALA CB C 49 17.956 17.956 17.838 0.118 18216
1177 1 3 . 1 1 49 49 ALA H H 49 7.890 7.890 7.826 0.064 18216
1178 1 3 . 1 1 50 50 ILE N N 50 122.294 122.294 116.714 5.580 18216
1179 1 3 . 1 1 50 50 ILE HA H 50 3.716 3.716 3.893 -0.177 18216
1180 1 3 . 1 1 50 50 ILE C C 50 175.507 175.507 178.342 -2.835 18216
1181 1 3 . 1 1 50 50 ILE CA C 50 64.908 64.908 62.540 2.368 18216
1182 1 3 . 1 1 50 50 ILE CB C 50 36.664 36.664 36.477 0.187 18216
1183 1 3 . 1 1 50 50 ILE H H 50 8.428 8.428 8.020 0.408 18216
1184 1 3 . 1 1 51 51 GLU N N 51 120.060 120.060 120.134 -0.074 18216
1185 1 3 . 1 1 51 51 GLU HA H 51 4.059 4.059 4.366 -0.307 18216
1186 1 3 . 1 1 51 51 GLU C C 51 178.398 178.398 179.353 -0.955 18216
1187 1 3 . 1 1 51 51 GLU CA C 51 60.419 60.419 59.591 0.828 18216
1188 1 3 . 1 1 51 51 GLU CB C 51 30.212 30.212 29.999 0.213 18216
1189 1 3 . 1 1 51 51 GLU H H 51 8.281 8.281 8.231 0.050 18216
1190 1 3 . 1 1 52 52 VAL N N 52 117.342 117.342 115.913 1.429 18216
1191 1 3 . 1 1 52 52 VAL HA H 52 3.725 3.725 3.874 -0.149 18216
1192 1 3 . 1 1 52 52 VAL C C 52 176.701 176.701 177.265 -0.564 18216
1193 1 3 . 1 1 52 52 VAL CA C 52 65.682 65.682 65.256 0.426 18216
1194 1 3 . 1 1 52 52 VAL CB C 52 32.278 32.278 31.102 1.176 18216
1195 1 3 . 1 1 52 52 VAL H H 52 7.714 7.714 7.502 0.212 18216
1196 1 3 . 1 1 53 53 GLU N N 53 120.657 120.657 120.288 0.369 18216
1197 1 3 . 1 1 53 53 GLU HA H 53 3.876 3.876 4.133 -0.257 18216
1198 1 3 . 1 1 53 53 GLU C C 53 175.734 175.734 177.874 -2.140 18216
1199 1 3 . 1 1 53 53 GLU CA C 53 58.823 58.823 58.819 0.004 18216
1200 1 3 . 1 1 53 53 GLU CB C 53 29.817 29.817 29.909 -0.092 18216
1201 1 3 . 1 1 53 53 GLU H H 53 8.191 8.191 8.149 0.042 18216
1202 1 3 . 1 1 54 54 TYR N N 54 111.170 111.170 116.960 -5.790 18216
1203 1 3 . 1 1 54 54 TYR HA H 54 4.483 4.483 4.430 0.053 18216
1204 1 3 . 1 1 54 54 TYR C C 54 174.031 174.031 176.868 -2.837 18216
1205 1 3 . 1 1 54 54 TYR CA C 54 59.478 59.478 58.635 0.844 18216
1206 1 3 . 1 1 54 54 TYR CB C 54 39.373 39.373 39.629 -0.256 18216
1207 1 3 . 1 1 54 54 TYR H H 54 8.106 8.106 7.618 0.488 18216
1208 1 3 . 1 1 55 55 GLY N N 55 112.483 112.483 107.568 4.915 18216
1209 1 3 . 1 1 55 55 GLY C C 55 172.863 172.863 174.111 -1.248 18216
1210 1 3 . 1 1 55 55 GLY CA C 55 47.593 47.593 45.286 2.307 18216
1211 1 3 . 1 1 55 55 GLY H H 55 8.047 8.047 7.973 0.074 18216
1212 1 3 . 1 1 56 56 ILE N N 56 112.002 112.002 112.696 -0.694 18216
1213 1 3 . 1 1 56 56 ILE HA H 56 4.692 4.692 4.547 0.145 18216
1214 1 3 . 1 1 56 56 ILE C C 56 171.179 171.179 173.730 -2.551 18216
1215 1 3 . 1 1 56 56 ILE CA C 56 58.776 58.776 58.080 0.696 18216
1216 1 3 . 1 1 56 56 ILE CB C 56 42.063 42.063 40.868 1.195 18216
1217 1 3 . 1 1 56 56 ILE H H 56 7.491 7.491 7.288 0.203 18216
1218 1 3 . 1 1 57 57 ASP N N 57 119.662 119.662 120.289 -0.627 18216
1219 1 3 . 1 1 57 57 ASP HA H 57 4.940 4.940 4.856 0.084 18216
1220 1 3 . 1 1 57 57 ASP C C 57 174.016 174.016 174.843 -0.827 18216
1221 1 3 . 1 1 57 57 ASP CA C 57 52.946 52.946 53.597 -0.651 18216
1222 1 3 . 1 1 57 57 ASP CB C 57 43.115 43.115 43.060 0.055 18216
1223 1 3 . 1 1 57 57 ASP H H 57 8.314 8.314 8.405 -0.091 18216
1224 1 3 . 1 1 58 58 ILE N N 58 125.903 125.903 125.078 0.825 18216
1225 1 3 . 1 1 58 58 ILE HA H 58 4.360 4.360 4.461 -0.101 18216
1226 1 3 . 1 1 58 58 ILE C C 58 170.591 170.591 174.000 -3.409 18216
1227 1 3 . 1 1 58 58 ILE CA C 58 59.354 59.354 58.459 0.895 18216
1228 1 3 . 1 1 58 58 ILE CB C 58 37.984 37.984 40.069 -2.085 18216
1229 1 3 . 1 1 58 58 ILE H H 58 9.901 9.901 8.485 1.416 18216
1230 1 3 . 1 1 59 59 PRO HA H 59 4.536 4.536 4.657 -0.121 18216
1231 1 3 . 1 1 59 59 PRO C C 59 175.502 175.502 177.037 -1.535 18216
1232 1 3 . 1 1 59 59 PRO CA C 59 62.523 62.523 62.056 0.467 18216
1233 1 3 . 1 1 59 59 PRO CB C 59 32.790 32.790 32.660 0.131 18216
1234 1 3 . 1 1 60 60 ASP N N 60 122.930 122.930 120.107 2.823 18216
1235 1 3 . 1 1 60 60 ASP HA H 60 4.233 4.233 4.254 -0.021 18216
1236 1 3 . 1 1 60 60 ASP C C 60 175.742 175.742 178.143 -2.401 18216
1237 1 3 . 1 1 60 60 ASP CA C 60 57.966 57.966 57.576 0.390 18216
1238 1 3 . 1 1 60 60 ASP CB C 60 40.410 40.410 40.291 0.119 18216
1239 1 3 . 1 1 60 60 ASP H H 60 8.880 8.880 8.684 0.196 18216
1240 1 3 . 1 1 61 61 ASP N N 61 115.336 115.336 119.638 -4.302 18216
1241 1 3 . 1 1 61 61 ASP HA H 61 4.342 4.342 4.417 -0.075 18216
1242 1 3 . 1 1 61 61 ASP C C 61 176.158 176.158 177.584 -1.426 18216
1243 1 3 . 1 1 61 61 ASP CA C 61 56.199 56.199 56.838 -0.639 18216
1244 1 3 . 1 1 61 61 ASP CB C 61 39.990 39.990 40.403 -0.413 18216
1245 1 3 . 1 1 61 61 ASP H H 61 8.736 8.736 8.710 0.026 18216
1246 1 3 . 1 1 62 62 GLU N N 62 118.044 118.044 116.028 2.016 18216
1247 1 3 . 1 1 62 62 GLU HA H 62 4.237 4.237 4.434 -0.197 18216
1248 1 3 . 1 1 62 62 GLU C C 62 177.114 177.114 177.023 0.091 18216
1249 1 3 . 1 1 62 62 GLU CA C 62 57.354 57.354 54.979 2.375 18216
1250 1 3 . 1 1 62 62 GLU CB C 62 29.151 29.151 28.772 0.379 18216
1251 1 3 . 1 1 62 62 GLU H H 62 7.419 7.419 7.953 -0.534 18216
1252 1 3 . 1 1 63 63 ALA N N 63 123.014 123.014 123.431 -0.417 18216
1253 1 3 . 1 1 63 63 ALA HA H 63 3.708 3.708 4.164 -0.456 18216
1254 1 3 . 1 1 63 63 ALA C C 63 177.936 177.936 177.803 0.133 18216
1255 1 3 . 1 1 63 63 ALA CA C 63 55.400 55.400 54.529 0.872 18216
1256 1 3 . 1 1 63 63 ALA CB C 63 18.245 18.245 18.715 -0.470 18216
1257 1 3 . 1 1 63 63 ALA H H 63 8.338 8.338 7.431 0.907 18216
1258 1 3 . 1 1 64 64 THR N N 64 107.396 107.396 107.419 -0.023 18216
1259 1 3 . 1 1 64 64 THR HA H 64 4.038 4.038 4.336 -0.298 18216
1260 1 3 . 1 1 64 64 THR C C 64 173.058 173.058 174.706 -1.648 18216
1261 1 3 . 1 1 64 64 THR CA C 64 64.120 64.120 61.361 2.759 18216
1262 1 3 . 1 1 64 64 THR CB C 64 69.241 69.241 68.955 0.286 18216
1263 1 3 . 1 1 64 64 THR H H 64 7.534 7.534 7.952 -0.418 18216
1264 1 3 . 1 1 65 65 LYS N N 65 118.248 118.248 119.992 -1.744 18216
1265 1 3 . 1 1 65 65 LYS HA H 65 4.233 4.233 4.608 -0.375 18216
1266 1 3 . 1 1 65 65 LYS C C 65 174.655 174.655 174.903 -0.248 18216
1267 1 3 . 1 1 65 65 LYS CA C 65 56.591 56.591 55.056 1.535 18216
1268 1 3 . 1 1 65 65 LYS CB C 65 33.090 33.090 33.194 -0.104 18216
1269 1 3 . 1 1 65 65 LYS H H 65 7.201 7.201 7.768 -0.567 18216
1270 1 3 . 1 1 66 66 ILE N N 66 121.918 121.918 111.833 10.085 18216
1271 1 3 . 1 1 66 66 ILE HA H 66 3.872 3.872 4.560 -0.688 18216
1272 1 3 . 1 1 66 66 ILE C C 66 172.490 172.490 175.068 -2.578 18216
1273 1 3 . 1 1 66 66 ILE CA C 66 62.250 62.250 59.535 2.715 18216
1274 1 3 . 1 1 66 66 ILE CB C 66 37.132 37.132 38.208 -1.076 18216
1275 1 3 . 1 1 66 66 ILE H H 66 7.323 7.323 7.244 0.079 18216
1276 1 3 . 1 1 67 67 LYS N N 67 126.438 126.438 120.624 5.814 18216
1277 1 3 . 1 1 67 67 LYS HA H 67 4.787 4.787 4.251 0.536 18216
1278 1 3 . 1 1 67 67 LYS C C 67 176.156 176.156 176.854 -0.698 18216
1279 1 3 . 1 1 67 67 LYS CA C 67 56.078 56.078 58.605 -2.527 18216
1280 1 3 . 1 1 67 67 LYS CB C 67 35.435 35.435 32.651 2.784 18216
1281 1 3 . 1 1 67 67 LYS H H 67 9.625 9.625 8.287 1.338 18216
1282 1 3 . 1 1 68 68 THR N N 68 111.201 111.201 111.476 -0.275 18216
1283 1 3 . 1 1 68 68 THR HA H 68 5.041 5.041 4.335 0.706 18216
1284 1 3 . 1 1 68 68 THR C C 68 173.425 173.425 175.526 -2.101 18216
1285 1 3 . 1 1 68 68 THR CA C 68 58.436 58.436 61.838 -3.402 18216
1286 1 3 . 1 1 68 68 THR CB C 68 73.683 73.683 70.255 3.428 18216
1287 1 3 . 1 1 68 68 THR H H 68 8.308 8.308 7.711 0.597 18216
1288 1 3 . 1 1 69 69 VAL N N 69 120.740 120.740 123.804 -3.064 18216
1289 1 3 . 1 1 69 69 VAL HA H 69 3.456 3.456 3.697 -0.241 18216
1290 1 3 . 1 1 69 69 VAL C C 69 176.481 176.481 177.615 -1.134 18216
1291 1 3 . 1 1 69 69 VAL CA C 69 67.506 67.506 67.180 0.326 18216
1292 1 3 . 1 1 69 69 VAL CB C 69 31.255 31.255 31.562 -0.307 18216
1293 1 3 . 1 1 69 69 VAL H H 69 7.685 7.685 8.648 -0.963 18216
1294 1 3 . 1 1 70 70 SER N N 70 114.441 114.441 113.181 1.260 18216
1295 1 3 . 1 1 70 70 SER HA H 70 4.094 4.094 4.281 -0.187 18216
1296 1 3 . 1 1 70 70 SER C C 70 174.461 174.461 175.910 -1.449 18216
1297 1 3 . 1 1 70 70 SER CA C 70 61.222 61.222 61.295 -0.073 18216
1298 1 3 . 1 1 70 70 SER CB C 70 62.761 62.761 63.040 -0.279 18216
1299 1 3 . 1 1 70 70 SER H H 70 8.866 8.866 8.454 0.412 18216
1300 1 3 . 1 1 71 71 ASP N N 71 121.065 121.065 122.232 -1.167 18216
1301 1 3 . 1 1 71 71 ASP HA H 71 4.434 4.434 4.655 -0.221 18216
1302 1 3 . 1 1 71 71 ASP C C 71 177.272 177.272 178.456 -1.184 18216
1303 1 3 . 1 1 71 71 ASP CA C 71 57.801 57.801 56.401 1.400 18216
1304 1 3 . 1 1 71 71 ASP CB C 71 41.976 41.976 40.638 1.338 18216
1305 1 3 . 1 1 71 71 ASP H H 71 8.094 8.094 7.741 0.353 18216
1306 1 3 . 1 1 72 72 VAL N N 72 120.351 120.351 121.086 -0.735 18216
1307 1 3 . 1 1 72 72 VAL HA H 72 3.706 3.706 3.632 0.074 18216
1308 1 3 . 1 1 72 72 VAL C C 72 174.409 174.409 177.375 -2.966 18216
1309 1 3 . 1 1 72 72 VAL CA C 72 66.232 66.232 66.596 -0.364 18216
1310 1 3 . 1 1 72 72 VAL CB C 72 31.733 31.733 31.380 0.353 18216
1311 1 3 . 1 1 72 72 VAL H H 72 7.714 7.714 8.470 -0.756 18216
1312 1 3 . 1 1 73 73 ILE N N 73 120.114 120.114 118.182 1.932 18216
1313 1 3 . 1 1 73 73 ILE HA H 73 3.365 3.365 3.730 -0.365 18216
1314 1 3 . 1 1 73 73 ILE C C 73 175.111 175.111 178.398 -3.287 18216
1315 1 3 . 1 1 73 73 ILE CA C 73 66.114 66.114 63.536 2.578 18216
1316 1 3 . 1 1 73 73 ILE CB C 73 38.264 38.264 36.311 1.953 18216
1317 1 3 . 1 1 73 73 ILE H H 73 7.710 7.710 7.535 0.175 18216
1318 1 3 . 1 1 74 74 LYS N N 74 118.158 118.158 120.868 -2.710 18216
1319 1 3 . 1 1 74 74 LYS HA H 74 3.863 3.863 3.932 -0.069 18216
1320 1 3 . 1 1 74 74 LYS C C 74 175.814 175.814 178.832 -3.018 18216
1321 1 3 . 1 1 74 74 LYS CA C 74 59.868 59.868 59.667 0.201 18216
1322 1 3 . 1 1 74 74 LYS CB C 74 32.727 32.727 32.163 0.564 18216
1323 1 3 . 1 1 74 74 LYS H H 74 8.422 8.422 7.623 0.799 18216
1324 1 3 . 1 1 75 75 TYR N N 75 119.834 119.834 119.956 -0.122 18216
1325 1 3 . 1 1 75 75 TYR HA H 75 3.959 3.959 4.264 -0.305 18216
1326 1 3 . 1 1 75 75 TYR C C 75 176.122 176.122 178.075 -1.953 18216
1327 1 3 . 1 1 75 75 TYR CA C 75 62.025 62.025 61.482 0.543 18216
1328 1 3 . 1 1 75 75 TYR CB C 75 38.891 38.891 39.080 -0.189 18216
1329 1 3 . 1 1 75 75 TYR H H 75 7.701 7.701 7.871 -0.170 18216
1330 1 3 . 1 1 76 76 ILE N N 76 117.609 117.609 119.113 -1.504 18216
1331 1 3 . 1 1 76 76 ILE HA H 76 3.255 3.255 3.490 -0.235 18216
1332 1 3 . 1 1 76 76 ILE C C 76 176.730 176.730 177.738 -1.008 18216
1333 1 3 . 1 1 76 76 ILE CA C 76 65.383 65.383 65.362 0.021 18216
1334 1 3 . 1 1 76 76 ILE CB C 76 38.797 38.797 37.379 1.418 18216
1335 1 3 . 1 1 76 76 ILE H H 76 8.032 8.032 8.695 -0.663 18216
1336 1 3 . 1 1 77 77 LYS N N 77 117.750 117.750 120.543 -2.793 18216
1337 1 3 . 1 1 77 77 LYS HA H 77 3.804 3.804 3.853 -0.049 18216
1338 1 3 . 1 1 77 77 LYS C C 77 177.793 177.793 178.986 -1.193 18216
1339 1 3 . 1 1 77 77 LYS CA C 77 60.288 60.288 60.089 0.199 18216
1340 1 3 . 1 1 77 77 LYS CB C 77 32.504 32.504 31.966 0.538 18216
1341 1 3 . 1 1 77 77 LYS H H 77 8.353 8.353 7.961 0.392 18216
1342 1 3 . 1 1 78 78 GLU N N 78 117.517 117.517 118.721 -1.204 18216
1343 1 3 . 1 1 78 78 GLU HA H 78 4.048 4.048 4.002 0.046 18216
1344 1 3 . 1 1 78 78 GLU C C 78 175.974 175.974 177.985 -2.011 18216
1345 1 3 . 1 1 78 78 GLU CA C 78 58.352 58.352 58.472 -0.120 18216
1346 1 3 . 1 1 78 78 GLU CB C 78 29.598 29.598 28.647 0.951 18216
1347 1 3 . 1 1 78 78 GLU H H 78 8.057 8.057 8.199 -0.142 18216
1348 1 3 . 1 1 79 79 ARG N N 79 117.613 117.613 117.657 -0.044 18216
1349 1 3 . 1 1 79 79 ARG HA H 79 4.271 4.271 4.041 0.230 18216
1350 1 3 . 1 1 79 79 ARG C C 79 174.583 174.583 176.888 -2.305 18216
1351 1 3 . 1 1 79 79 ARG CA C 79 55.965 55.965 56.449 -0.484 18216
1352 1 3 . 1 1 79 79 ARG CB C 79 30.171 30.171 30.427 -0.257 18216
1353 1 3 . 1 1 79 79 ARG H H 79 7.544 7.544 7.467 0.077 18216
1354 1 3 . 1 1 80 80 GLN N N 80 119.495 119.495 119.189 0.306 18216
1355 1 3 . 1 1 80 80 GLN HA H 80 4.400 4.400 4.214 0.186 18216
1356 1 3 . 1 1 80 80 GLN C C 80 173.178 173.178 174.815 -1.637 18216
1357 1 3 . 1 1 80 80 GLN CA C 80 56.114 56.114 56.690 -0.576 18216
1358 1 3 . 1 1 80 80 GLN CB C 80 29.391 29.391 28.836 0.555 18216
1359 1 3 . 1 1 80 80 GLN H H 80 7.675 7.675 7.685 -0.010 18216
1360 1 4 . 1 1 4 4 THR HA H 4 4.199 4.199 4.162 0.037 18216
1361 1 4 . 1 1 4 4 THR C C 4 172.396 172.396 173.695 -1.299 18216
1362 1 4 . 1 1 4 4 THR CA C 4 62.877 62.877 63.094 -0.217 18216
1363 1 4 . 1 1 4 4 THR CB C 4 69.501 69.501 68.303 1.198 18216
1364 1 4 . 1 1 5 5 ASP N N 5 123.982 123.982 117.970 6.012 18216
1365 1 4 . 1 1 5 5 ASP HA H 5 4.560 4.560 4.471 0.089 18216
1366 1 4 . 1 1 5 5 ASP C C 5 174.716 174.716 177.667 -2.951 18216
1367 1 4 . 1 1 5 5 ASP CA C 5 54.733 54.733 54.535 0.198 18216
1368 1 4 . 1 1 5 5 ASP CB C 5 41.451 41.451 41.265 0.186 18216
1369 1 4 . 1 1 5 5 ASP H H 5 8.457 8.457 8.466 -0.009 18216
1370 1 4 . 1 1 6 6 LYS N N 6 122.949 122.949 121.697 1.252 18216
1371 1 4 . 1 1 6 6 LYS HA H 6 4.141 4.141 4.096 0.045 18216
1372 1 4 . 1 1 6 6 LYS C C 6 177.076 177.076 178.253 -1.177 18216
1373 1 4 . 1 1 6 6 LYS CA C 6 58.725 58.725 58.436 0.289 18216
1374 1 4 . 1 1 6 6 LYS CB C 6 32.481 32.481 31.988 0.493 18216
1375 1 4 . 1 1 6 6 LYS H H 6 8.421 8.421 8.435 -0.014 18216
1376 1 4 . 1 1 7 7 ILE N N 7 121.024 121.024 117.976 3.048 18216
1377 1 4 . 1 1 7 7 ILE HA H 7 4.036 4.036 3.771 0.265 18216
1378 1 4 . 1 1 7 7 ILE C C 7 174.780 174.780 177.780 -3.000 18216
1379 1 4 . 1 1 7 7 ILE CA C 7 64.418 64.418 64.338 0.080 18216
1380 1 4 . 1 1 7 7 ILE CB C 7 37.541 37.541 37.541 0.000 18216
1381 1 4 . 1 1 7 7 ILE H H 7 8.055 8.055 8.162 -0.107 18216
1382 1 4 . 1 1 8 8 GLU N N 8 119.901 119.901 119.760 0.141 18216
1383 1 4 . 1 1 8 8 GLU HA H 8 3.620 3.620 3.901 -0.281 18216
1384 1 4 . 1 1 8 8 GLU C C 8 175.403 175.403 179.568 -4.165 18216
1385 1 4 . 1 1 8 8 GLU CA C 8 60.226 60.226 59.540 0.686 18216
1386 1 4 . 1 1 8 8 GLU CB C 8 29.793 29.793 29.184 0.609 18216
1387 1 4 . 1 1 8 8 GLU H H 8 8.178 8.178 7.891 0.287 18216
1388 1 4 . 1 1 9 9 GLN N N 9 114.019 114.019 118.247 -4.228 18216
1389 1 4 . 1 1 9 9 GLN HA H 9 3.887 3.887 4.184 -0.297 18216
1390 1 4 . 1 1 9 9 GLN C C 9 176.383 176.383 178.647 -2.264 18216
1391 1 4 . 1 1 9 9 GLN CA C 9 59.031 59.031 57.896 1.135 18216
1392 1 4 . 1 1 9 9 GLN CB C 9 28.829 28.829 28.597 0.232 18216
1393 1 4 . 1 1 9 9 GLN H H 9 7.923 7.923 8.088 -0.165 18216
1394 1 4 . 1 1 10 10 LYS N N 10 119.999 119.999 120.167 -0.168 18216
1395 1 4 . 1 1 10 10 LYS HA H 10 4.182 4.182 4.146 0.036 18216
1396 1 4 . 1 1 10 10 LYS C C 10 176.671 176.671 177.995 -1.324 18216
1397 1 4 . 1 1 10 10 LYS CA C 10 58.067 58.067 57.854 0.213 18216
1398 1 4 . 1 1 10 10 LYS CB C 10 31.522 31.522 32.049 -0.527 18216
1399 1 4 . 1 1 10 10 LYS H H 10 7.783 7.783 8.142 -0.359 18216
1400 1 4 . 1 1 11 11 VAL N N 11 119.291 119.291 121.151 -1.860 18216
1401 1 4 . 1 1 11 11 VAL HA H 11 3.602 3.602 3.813 -0.211 18216
1402 1 4 . 1 1 11 11 VAL C C 11 176.092 176.092 176.943 -0.851 18216
1403 1 4 . 1 1 11 11 VAL CA C 11 67.715 67.715 65.845 1.870 18216
1404 1 4 . 1 1 11 11 VAL CB C 11 30.791 30.791 31.931 -1.140 18216
1405 1 4 . 1 1 11 11 VAL H H 11 8.928 8.928 7.534 1.394 18216
1406 1 4 . 1 1 12 12 ILE N N 12 119.163 119.163 119.188 -0.025 18216
1407 1 4 . 1 1 12 12 ILE HA H 12 3.413 3.413 3.724 -0.311 18216
1408 1 4 . 1 1 12 12 ILE C C 12 175.417 175.417 176.974 -1.557 18216
1409 1 4 . 1 1 12 12 ILE CA C 12 68.032 68.032 64.654 3.378 18216
1410 1 4 . 1 1 12 12 ILE CB C 12 37.135 37.135 37.791 -0.656 18216
1411 1 4 . 1 1 12 12 ILE H H 12 8.255 8.255 7.482 0.773 18216
1412 1 4 . 1 1 13 13 GLU N N 13 118.515 118.515 119.311 -0.796 18216
1413 1 4 . 1 1 13 13 GLU HA H 13 3.868 3.868 4.089 -0.221 18216
1414 1 4 . 1 1 13 13 GLU C C 13 177.514 177.514 177.658 -0.144 18216
1415 1 4 . 1 1 13 13 GLU CA C 13 60.145 60.145 58.675 1.470 18216
1416 1 4 . 1 1 13 13 GLU CB C 13 29.487 29.487 29.621 -0.134 18216
1417 1 4 . 1 1 13 13 GLU H H 13 7.821 7.821 7.774 0.047 18216
1418 1 4 . 1 1 14 14 MET N N 14 120.174 120.174 118.576 1.598 18216
1419 1 4 . 1 1 14 14 MET HA H 14 4.168 4.168 4.217 -0.049 18216
1420 1 4 . 1 1 14 14 MET C C 14 176.631 176.631 177.908 -1.277 18216
1421 1 4 . 1 1 14 14 MET CA C 14 59.409 59.409 57.987 1.422 18216
1422 1 4 . 1 1 14 14 MET CB C 14 33.931 33.931 33.496 0.435 18216
1423 1 4 . 1 1 14 14 MET H H 14 8.610 8.610 7.404 1.206 18216
1424 1 4 . 1 1 15 15 VAL N N 15 120.579 120.579 119.251 1.328 18216
1425 1 4 . 1 1 15 15 VAL HA H 15 3.441 3.441 3.535 -0.094 18216
1426 1 4 . 1 1 15 15 VAL C C 15 175.086 175.086 177.914 -2.828 18216
1427 1 4 . 1 1 15 15 VAL CA C 15 67.096 67.096 66.433 0.663 18216
1428 1 4 . 1 1 15 15 VAL CB C 15 31.481 31.481 30.533 0.948 18216
1429 1 4 . 1 1 15 15 VAL H H 15 8.975 8.975 8.368 0.607 18216
1430 1 4 . 1 1 16 16 ALA N N 16 121.102 121.102 120.547 0.555 18216
1431 1 4 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.259 -0.481 18216
1432 1 4 . 1 1 16 16 ALA C C 16 178.027 178.027 178.911 -0.884 18216
1433 1 4 . 1 1 16 16 ALA CA C 16 55.944 55.944 54.662 1.282 18216
1434 1 4 . 1 1 16 16 ALA CB C 16 18.234 18.234 18.498 -0.264 18216
1435 1 4 . 1 1 16 16 ALA H H 16 8.387 8.387 7.637 0.750 18216
1436 1 4 . 1 1 17 17 GLU N N 17 115.683 115.683 115.357 0.326 18216
1437 1 4 . 1 1 17 17 GLU HA H 17 4.102 4.102 4.282 -0.180 18216
1438 1 4 . 1 1 17 17 GLU C C 17 177.810 177.810 177.548 0.262 18216
1439 1 4 . 1 1 17 17 GLU CA C 17 59.241 59.241 56.806 2.435 18216
1440 1 4 . 1 1 17 17 GLU CB C 17 30.175 30.175 30.378 -0.203 18216
1441 1 4 . 1 1 17 17 GLU H H 17 8.043 8.043 8.015 0.028 18216
1442 1 4 . 1 1 18 18 LYS N N 18 116.582 116.582 119.002 -2.420 18216
1443 1 4 . 1 1 18 18 LYS HA H 18 4.186 4.186 4.010 0.176 18216
1444 1 4 . 1 1 18 18 LYS C C 18 175.949 175.949 176.761 -0.812 18216
1445 1 4 . 1 1 18 18 LYS CA C 18 57.029 57.029 59.136 -2.107 18216
1446 1 4 . 1 1 18 18 LYS CB C 18 31.479 31.479 33.082 -1.603 18216
1447 1 4 . 1 1 18 18 LYS H H 18 8.669 8.669 7.825 0.844 18216
1448 1 4 . 1 1 19 19 LEU N N 19 113.633 113.633 117.019 -3.386 18216
1449 1 4 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.302 0.189 18216
1450 1 4 . 1 1 19 19 LEU C C 19 174.261 174.261 175.579 -1.318 18216
1451 1 4 . 1 1 19 19 LEU CA C 19 54.230 54.230 53.274 0.956 18216
1452 1 4 . 1 1 19 19 LEU CB C 19 40.477 40.477 41.055 -0.578 18216
1453 1 4 . 1 1 19 19 LEU H H 19 8.226 8.226 7.565 0.661 18216
1454 1 4 . 1 1 20 20 ASN N N 20 117.866 117.866 117.419 0.447 18216
1455 1 4 . 1 1 20 20 ASN HA H 20 4.416 4.416 4.446 -0.030 18216
1456 1 4 . 1 1 20 20 ASN C C 20 172.278 172.278 173.903 -1.625 18216
1457 1 4 . 1 1 20 20 ASN CA C 20 54.058 54.058 54.056 0.002 18216
1458 1 4 . 1 1 20 20 ASN CB C 20 36.788 36.788 37.461 -0.673 18216
1459 1 4 . 1 1 20 20 ASN H H 20 7.616 7.616 7.947 -0.331 18216
1460 1 4 . 1 1 21 21 LYS N N 21 117.035 117.035 119.937 -2.902 18216
1461 1 4 . 1 1 21 21 LYS HA H 21 4.717 4.717 4.474 0.243 18216
1462 1 4 . 1 1 21 21 LYS C C 21 173.009 173.009 175.909 -2.900 18216
1463 1 4 . 1 1 21 21 LYS CA C 21 52.589 52.589 54.468 -1.879 18216
1464 1 4 . 1 1 21 21 LYS CB C 21 36.114 36.114 33.873 2.241 18216
1465 1 4 . 1 1 21 21 LYS H H 21 8.473 8.473 7.334 1.139 18216
1466 1 4 . 1 1 22 22 ASP N N 22 120.954 120.954 126.439 -5.485 18216
1467 1 4 . 1 1 22 22 ASP HA H 22 4.422 4.422 4.406 0.016 18216
1468 1 4 . 1 1 22 22 ASP C C 22 175.257 175.257 177.628 -2.371 18216
1469 1 4 . 1 1 22 22 ASP CA C 22 54.220 54.220 54.893 -0.673 18216
1470 1 4 . 1 1 22 22 ASP CB C 22 41.895 41.895 42.458 -0.563 18216
1471 1 4 . 1 1 22 22 ASP H H 22 8.261 8.261 8.858 -0.597 18216
1472 1 4 . 1 1 23 23 LYS N N 23 125.865 125.865 124.768 1.097 18216
1473 1 4 . 1 1 23 23 LYS HA H 23 3.742 3.742 4.038 -0.296 18216
1474 1 4 . 1 1 23 23 LYS C C 23 175.599 175.599 176.822 -1.223 18216
1475 1 4 . 1 1 23 23 LYS CA C 23 59.607 59.607 58.685 0.922 18216
1476 1 4 . 1 1 23 23 LYS CB C 23 32.184 32.184 32.175 0.009 18216
1477 1 4 . 1 1 23 23 LYS H H 23 8.697 8.697 8.613 0.084 18216
1478 1 4 . 1 1 24 24 ALA N N 24 118.731 118.731 120.194 -1.463 18216
1479 1 4 . 1 1 24 24 ALA HA H 24 4.110 4.110 4.280 -0.170 18216
1480 1 4 . 1 1 24 24 ALA C C 24 177.449 177.449 177.787 -0.338 18216
1481 1 4 . 1 1 24 24 ALA CA C 24 54.192 54.192 52.993 1.199 18216
1482 1 4 . 1 1 24 24 ALA CB C 24 19.018 19.018 19.004 0.014 18216
1483 1 4 . 1 1 24 24 ALA H H 24 8.509 8.509 8.063 0.446 18216
1484 1 4 . 1 1 25 25 ILE N N 25 110.020 110.020 116.359 -6.339 18216
1485 1 4 . 1 1 25 25 ILE HA H 25 4.406 4.406 4.237 0.169 18216
1486 1 4 . 1 1 25 25 ILE C C 25 173.524 173.524 175.765 -2.241 18216
1487 1 4 . 1 1 25 25 ILE CA C 25 60.373 60.373 61.432 -1.059 18216
1488 1 4 . 1 1 25 25 ILE CB C 25 38.423 38.423 39.967 -1.544 18216
1489 1 4 . 1 1 25 25 ILE H H 25 7.562 7.562 7.670 -0.108 18216
1490 1 4 . 1 1 26 26 ILE N N 26 122.932 122.932 121.478 1.454 18216
1491 1 4 . 1 1 26 26 ILE HA H 26 3.961 3.961 3.989 -0.028 18216
1492 1 4 . 1 1 26 26 ILE C C 26 172.610 172.610 175.457 -2.847 18216
1493 1 4 . 1 1 26 26 ILE CA C 26 61.520 61.520 61.847 -0.327 18216
1494 1 4 . 1 1 26 26 ILE CB C 26 37.367 37.367 36.840 0.527 18216
1495 1 4 . 1 1 26 26 ILE H H 26 7.377 7.377 7.538 -0.161 18216
1496 1 4 . 1 1 27 27 THR N N 27 116.747 116.747 115.975 0.772 18216
1497 1 4 . 1 1 27 27 THR HA H 27 4.857 4.857 4.652 0.205 18216
1498 1 4 . 1 1 27 27 THR C C 27 174.186 174.186 175.494 -1.308 18216
1499 1 4 . 1 1 27 27 THR CA C 27 58.917 58.917 60.541 -1.625 18216
1500 1 4 . 1 1 27 27 THR CB C 27 72.257 72.257 71.419 0.838 18216
1501 1 4 . 1 1 27 27 THR H H 27 8.549 8.549 7.971 0.578 18216
1502 1 4 . 1 1 28 28 THR N N 28 110.578 110.578 113.376 -2.798 18216
1503 1 4 . 1 1 28 28 THR HA H 28 3.743 3.743 3.894 -0.151 18216
1504 1 4 . 1 1 28 28 THR C C 28 172.642 172.642 174.826 -2.184 18216
1505 1 4 . 1 1 28 28 THR CA C 28 65.306 65.306 65.358 -0.052 18216
1506 1 4 . 1 1 28 28 THR CB C 28 67.621 67.621 68.728 -1.107 18216
1507 1 4 . 1 1 28 28 THR H H 28 8.817 8.817 8.583 0.234 18216
1508 1 4 . 1 1 29 29 ASP N N 29 117.036 117.036 119.154 -2.118 18216
1509 1 4 . 1 1 29 29 ASP HA H 29 4.719 4.719 4.764 -0.045 18216
1510 1 4 . 1 1 29 29 ASP C C 29 174.246 174.246 175.117 -0.871 18216
1511 1 4 . 1 1 29 29 ASP CA C 29 54.208 54.208 52.260 1.948 18216
1512 1 4 . 1 1 29 29 ASP CB C 29 41.567 41.567 39.824 1.743 18216
1513 1 4 . 1 1 29 29 ASP H H 29 7.777 7.777 8.069 -0.292 18216
1514 1 4 . 1 1 30 30 SER N N 30 117.171 117.171 115.719 1.452 18216
1515 1 4 . 1 1 30 30 SER HA H 30 4.063 4.063 4.185 -0.122 18216
1516 1 4 . 1 1 30 30 SER C C 30 171.138 171.138 174.481 -3.343 18216
1517 1 4 . 1 1 30 30 SER CA C 30 61.581 61.581 59.291 2.290 18216
1518 1 4 . 1 1 30 30 SER CB C 30 63.349 63.349 63.547 -0.198 18216
1519 1 4 . 1 1 30 30 SER H H 30 7.619 7.619 7.697 -0.078 18216
1520 1 4 . 1 1 31 31 ARG N N 31 124.648 124.648 128.502 -3.854 18216
1521 1 4 . 1 1 31 31 ARG HA H 31 4.644 4.644 4.196 0.448 18216
1522 1 4 . 1 1 31 31 ARG C C 31 176.660 176.660 176.366 0.294 18216
1523 1 4 . 1 1 31 31 ARG CA C 31 54.323 54.323 54.443 -0.120 18216
1524 1 4 . 1 1 31 31 ARG CB C 31 30.539 30.539 29.048 1.491 18216
1525 1 4 . 1 1 31 31 ARG H H 31 10.379 10.379 8.856 1.523 18216
1526 1 4 . 1 1 32 32 PHE N N 32 124.068 124.068 119.114 4.954 18216
1527 1 4 . 1 1 32 32 PHE HA H 32 3.964 3.964 4.173 -0.209 18216
1528 1 4 . 1 1 32 32 PHE C C 32 173.376 173.376 176.905 -3.529 18216
1529 1 4 . 1 1 32 32 PHE CA C 32 62.578 62.578 60.470 2.108 18216
1530 1 4 . 1 1 32 32 PHE CB C 32 38.147 38.147 37.777 0.370 18216
1531 1 4 . 1 1 32 32 PHE H H 32 7.833 7.833 7.217 0.616 18216
1532 1 4 . 1 1 33 33 ILE N N 33 116.395 116.395 119.612 -3.217 18216
1533 1 4 . 1 1 33 33 ILE HA H 33 4.044 4.044 3.823 0.221 18216
1534 1 4 . 1 1 33 33 ILE C C 33 178.005 178.005 177.406 0.599 18216
1535 1 4 . 1 1 33 33 ILE CA C 33 64.293 64.293 63.725 0.568 18216
1536 1 4 . 1 1 33 33 ILE CB C 33 36.905 36.905 37.971 -1.066 18216
1537 1 4 . 1 1 33 33 ILE H H 33 8.696 8.696 7.554 1.142 18216
1538 1 4 . 1 1 34 34 GLU N N 34 117.346 117.346 118.446 -1.100 18216
1539 1 4 . 1 1 34 34 GLU HA H 34 3.859 3.859 4.101 -0.242 18216
1540 1 4 . 1 1 34 34 GLU C C 34 175.723 175.723 177.748 -2.025 18216
1541 1 4 . 1 1 34 34 GLU CA C 34 62.485 62.485 58.623 3.862 18216
1542 1 4 . 1 1 34 34 GLU CB C 34 29.032 29.032 29.786 -0.754 18216
1543 1 4 . 1 1 34 34 GLU H H 34 9.408 9.408 7.827 1.581 18216
1544 1 4 . 1 1 35 35 ASP N N 35 112.053 112.053 119.196 -7.143 18216
1545 1 4 . 1 1 35 35 ASP HA H 35 5.026 5.026 4.448 0.578 18216
1546 1 4 . 1 1 35 35 ASP C C 35 175.237 175.237 177.939 -2.702 18216
1547 1 4 . 1 1 35 35 ASP CA C 35 55.996 55.996 56.592 -0.596 18216
1548 1 4 . 1 1 35 35 ASP CB C 35 41.508 41.508 40.943 0.565 18216
1549 1 4 . 1 1 35 35 ASP H H 35 7.527 7.527 8.410 -0.883 18216
1550 1 4 . 1 1 36 36 LEU N N 36 115.898 115.898 118.697 -2.799 18216
1551 1 4 . 1 1 36 36 LEU HA H 36 4.274 4.274 4.372 -0.098 18216
1552 1 4 . 1 1 36 36 LEU C C 36 172.955 172.955 175.771 -2.816 18216
1553 1 4 . 1 1 36 36 LEU CA C 36 54.739 54.739 55.163 -0.425 18216
1554 1 4 . 1 1 36 36 LEU CB C 36 40.891 40.891 42.421 -1.530 18216
1555 1 4 . 1 1 36 36 LEU H H 36 7.648 7.648 7.741 -0.093 18216
1556 1 4 . 1 1 37 37 LYS N N 37 114.307 114.307 117.623 -3.316 18216
1557 1 4 . 1 1 37 37 LYS HA H 37 4.207 4.207 4.052 0.155 18216
1558 1 4 . 1 1 37 37 LYS C C 37 174.539 174.539 175.396 -0.857 18216
1559 1 4 . 1 1 37 37 LYS CA C 37 55.942 55.942 56.540 -0.598 18216
1560 1 4 . 1 1 37 37 LYS CB C 37 28.513 28.513 29.885 -1.372 18216
1561 1 4 . 1 1 37 37 LYS H H 37 7.247 7.247 7.219 0.028 18216
1562 1 4 . 1 1 38 38 ALA N N 38 121.453 121.453 121.875 -0.422 18216
1563 1 4 . 1 1 38 38 ALA HA H 38 4.392 4.392 4.161 0.231 18216
1564 1 4 . 1 1 38 38 ALA C C 38 175.605 175.605 177.486 -1.881 18216
1565 1 4 . 1 1 38 38 ALA CA C 38 52.008 52.008 52.776 -0.768 18216
1566 1 4 . 1 1 38 38 ALA CB C 38 20.568 20.568 19.439 1.129 18216
1567 1 4 . 1 1 38 38 ALA H H 38 8.442 8.442 7.596 0.846 18216
1568 1 4 . 1 1 39 39 ASP N N 39 123.391 123.391 124.103 -0.712 18216
1569 1 4 . 1 1 39 39 ASP HA H 39 4.782 4.782 4.480 0.302 18216
1570 1 4 . 1 1 39 39 ASP C C 39 175.798 175.798 177.501 -1.703 18216
1571 1 4 . 1 1 39 39 ASP CA C 39 52.823 52.823 55.390 -2.567 18216
1572 1 4 . 1 1 39 39 ASP CB C 39 42.613 42.613 41.924 0.689 18216
1573 1 4 . 1 1 39 39 ASP H H 39 9.038 9.038 8.457 0.581 18216
1574 1 4 . 1 1 40 40 SER N N 40 116.961 116.961 114.511 2.450 18216
1575 1 4 . 1 1 40 40 SER HA H 40 4.226 4.226 4.416 -0.190 18216
1576 1 4 . 1 1 40 40 SER C C 40 174.197 174.197 176.521 -2.324 18216
1577 1 4 . 1 1 40 40 SER CA C 40 60.234 60.234 61.656 -1.421 18216
1578 1 4 . 1 1 40 40 SER CB C 40 65.619 65.619 63.762 1.857 18216
1579 1 4 . 1 1 40 40 SER H H 40 8.936 8.936 8.562 0.374 18216
1580 1 4 . 1 1 41 41 LEU N N 41 124.152 124.152 117.841 6.311 18216
1581 1 4 . 1 1 41 41 LEU HA H 41 4.187 4.187 4.409 -0.222 18216
1582 1 4 . 1 1 41 41 LEU C C 41 175.316 175.316 177.193 -1.877 18216
1583 1 4 . 1 1 41 41 LEU CA C 41 57.873 57.873 57.437 0.437 18216
1584 1 4 . 1 1 41 41 LEU CB C 41 41.085 41.085 41.319 -0.234 18216
1585 1 4 . 1 1 41 41 LEU H H 41 8.279 8.279 8.004 0.275 18216
1586 1 4 . 1 1 42 42 ASP N N 42 120.193 120.193 118.696 1.497 18216
1587 1 4 . 1 1 42 42 ASP HA H 42 4.415 4.415 4.585 -0.170 18216
1588 1 4 . 1 1 42 42 ASP C C 42 176.858 176.858 178.199 -1.341 18216
1589 1 4 . 1 1 42 42 ASP CA C 42 57.144 57.144 57.274 -0.130 18216
1590 1 4 . 1 1 42 42 ASP CB C 42 40.895 40.895 41.176 -0.281 18216
1591 1 4 . 1 1 42 42 ASP H H 42 8.002 8.002 8.449 -0.447 18216
1592 1 4 . 1 1 43 43 THR N N 43 112.919 112.919 116.495 -3.576 18216
1593 1 4 . 1 1 43 43 THR HA H 43 3.554 3.554 3.961 -0.407 18216
1594 1 4 . 1 1 43 43 THR CA C 43 66.658 66.658 65.747 0.911 18216
1595 1 4 . 1 1 43 43 THR CB C 43 68.423 68.423 68.227 0.196 18216
1596 1 4 . 1 1 43 43 THR H H 43 7.939 7.939 7.704 0.235 18216
1597 1 4 . 1 1 44 44 VAL HA H 44 3.645 3.645 3.667 -0.022 18216
1598 1 4 . 1 1 44 44 VAL C C 44 176.576 176.576 177.462 -0.886 18216
1599 1 4 . 1 1 44 44 VAL CA C 44 66.873 66.873 66.394 0.479 18216
1600 1 4 . 1 1 44 44 VAL CB C 44 31.658 31.658 31.878 -0.220 18216
1601 1 4 . 1 1 45 45 GLU N N 45 119.120 119.120 119.559 -0.439 18216
1602 1 4 . 1 1 45 45 GLU HA H 45 4.060 4.060 4.163 -0.103 18216
1603 1 4 . 1 1 45 45 GLU C C 45 178.332 178.332 178.686 -0.354 18216
1604 1 4 . 1 1 45 45 GLU CA C 45 59.618 59.618 58.824 0.794 18216
1605 1 4 . 1 1 45 45 GLU CB C 45 29.229 29.229 29.819 -0.590 18216
1606 1 4 . 1 1 45 45 GLU H H 45 7.867 7.867 7.604 0.263 18216
1607 1 4 . 1 1 46 46 LEU N N 46 121.527 121.527 120.559 0.968 18216
1608 1 4 . 1 1 46 46 LEU HA H 46 3.997 3.997 3.966 0.031 18216
1609 1 4 . 1 1 46 46 LEU C C 46 175.472 175.472 179.716 -4.244 18216
1610 1 4 . 1 1 46 46 LEU CA C 46 58.391 58.391 58.130 0.261 18216
1611 1 4 . 1 1 46 46 LEU CB C 46 41.312 41.312 42.089 -0.777 18216
1612 1 4 . 1 1 46 46 LEU H H 46 8.200 8.200 8.279 -0.079 18216
1613 1 4 . 1 1 47 47 MET N N 47 117.675 117.675 116.208 1.467 18216
1614 1 4 . 1 1 47 47 MET HA H 47 4.141 4.141 3.968 0.173 18216
1615 1 4 . 1 1 47 47 MET C C 47 177.030 177.030 178.357 -1.327 18216
1616 1 4 . 1 1 47 47 MET CA C 47 57.924 57.924 58.558 -0.634 18216
1617 1 4 . 1 1 47 47 MET CB C 47 31.672 31.672 32.167 -0.495 18216
1618 1 4 . 1 1 47 47 MET H H 47 8.330 8.330 8.721 -0.391 18216
1619 1 4 . 1 1 48 48 MET N N 48 117.614 117.614 120.386 -2.772 18216
1620 1 4 . 1 1 48 48 MET HA H 48 4.343 4.343 4.198 0.145 18216
1621 1 4 . 1 1 48 48 MET C C 48 176.562 176.562 177.699 -1.137 18216
1622 1 4 . 1 1 48 48 MET CA C 48 58.942 58.942 57.474 1.468 18216
1623 1 4 . 1 1 48 48 MET CB C 48 32.951 32.951 31.567 1.384 18216
1624 1 4 . 1 1 48 48 MET H H 48 8.148 8.148 7.835 0.313 18216
1625 1 4 . 1 1 49 49 ALA N N 49 121.729 121.729 122.601 -0.872 18216
1626 1 4 . 1 1 49 49 ALA HA H 49 4.220 4.220 4.046 0.174 18216
1627 1 4 . 1 1 49 49 ALA C C 49 179.111 179.111 179.380 -0.269 18216
1628 1 4 . 1 1 49 49 ALA CA C 49 54.902 54.902 54.965 -0.062 18216
1629 1 4 . 1 1 49 49 ALA CB C 49 17.956 17.956 17.892 0.063 18216
1630 1 4 . 1 1 49 49 ALA H H 49 7.890 7.890 7.763 0.127 18216
1631 1 4 . 1 1 50 50 ILE N N 50 122.294 122.294 116.962 5.332 18216
1632 1 4 . 1 1 50 50 ILE HA H 50 3.716 3.716 3.885 -0.169 18216
1633 1 4 . 1 1 50 50 ILE C C 50 175.507 175.507 178.167 -2.660 18216
1634 1 4 . 1 1 50 50 ILE CA C 50 64.908 64.908 63.279 1.629 18216
1635 1 4 . 1 1 50 50 ILE CB C 50 36.664 36.664 36.584 0.080 18216
1636 1 4 . 1 1 50 50 ILE H H 50 8.428 8.428 7.972 0.456 18216
1637 1 4 . 1 1 51 51 GLU N N 51 120.060 120.060 119.916 0.144 18216
1638 1 4 . 1 1 51 51 GLU HA H 51 4.059 4.059 4.324 -0.265 18216
1639 1 4 . 1 1 51 51 GLU C C 51 178.398 178.398 179.333 -0.935 18216
1640 1 4 . 1 1 51 51 GLU CA C 51 60.419 60.419 59.376 1.043 18216
1641 1 4 . 1 1 51 51 GLU CB C 51 30.212 30.212 30.202 0.010 18216
1642 1 4 . 1 1 51 51 GLU H H 51 8.281 8.281 8.063 0.218 18216
1643 1 4 . 1 1 52 52 VAL N N 52 117.342 117.342 115.770 1.572 18216
1644 1 4 . 1 1 52 52 VAL HA H 52 3.725 3.725 3.880 -0.155 18216
1645 1 4 . 1 1 52 52 VAL C C 52 176.701 176.701 177.438 -0.737 18216
1646 1 4 . 1 1 52 52 VAL CA C 52 65.682 65.682 65.285 0.397 18216
1647 1 4 . 1 1 52 52 VAL CB C 52 32.278 32.278 31.008 1.270 18216
1648 1 4 . 1 1 52 52 VAL H H 52 7.714 7.714 7.553 0.161 18216
1649 1 4 . 1 1 53 53 GLU N N 53 120.657 120.657 120.447 0.210 18216
1650 1 4 . 1 1 53 53 GLU HA H 53 3.876 3.876 4.184 -0.308 18216
1651 1 4 . 1 1 53 53 GLU C C 53 175.734 175.734 178.115 -2.381 18216
1652 1 4 . 1 1 53 53 GLU CA C 53 58.823 58.823 58.716 0.107 18216
1653 1 4 . 1 1 53 53 GLU CB C 53 29.817 29.817 30.008 -0.191 18216
1654 1 4 . 1 1 53 53 GLU H H 53 8.191 8.191 8.205 -0.014 18216
1655 1 4 . 1 1 54 54 TYR N N 54 111.170 111.170 117.593 -6.423 18216
1656 1 4 . 1 1 54 54 TYR HA H 54 4.483 4.483 4.386 0.097 18216
1657 1 4 . 1 1 54 54 TYR C C 54 174.031 174.031 177.014 -2.983 18216
1658 1 4 . 1 1 54 54 TYR CA C 54 59.478 59.478 59.103 0.375 18216
1659 1 4 . 1 1 54 54 TYR CB C 54 39.373 39.373 39.586 -0.213 18216
1660 1 4 . 1 1 54 54 TYR H H 54 8.106 8.106 7.763 0.343 18216
1661 1 4 . 1 1 55 55 GLY N N 55 112.483 112.483 107.102 5.381 18216
1662 1 4 . 1 1 55 55 GLY C C 55 172.863 172.863 173.956 -1.093 18216
1663 1 4 . 1 1 55 55 GLY CA C 55 47.593 47.593 45.400 2.193 18216
1664 1 4 . 1 1 55 55 GLY H H 55 8.047 8.047 8.220 -0.173 18216
1665 1 4 . 1 1 56 56 ILE N N 56 112.002 112.002 114.828 -2.826 18216
1666 1 4 . 1 1 56 56 ILE HA H 56 4.692 4.692 4.587 0.105 18216
1667 1 4 . 1 1 56 56 ILE C C 56 171.179 171.179 173.816 -2.637 18216
1668 1 4 . 1 1 56 56 ILE CA C 56 58.776 58.776 58.813 -0.037 18216
1669 1 4 . 1 1 56 56 ILE CB C 56 42.063 42.063 40.011 2.052 18216
1670 1 4 . 1 1 56 56 ILE H H 56 7.491 7.491 7.404 0.087 18216
1671 1 4 . 1 1 57 57 ASP N N 57 119.662 119.662 119.534 0.128 18216
1672 1 4 . 1 1 57 57 ASP HA H 57 4.940 4.940 5.266 -0.326 18216
1673 1 4 . 1 1 57 57 ASP C C 57 174.016 174.016 175.043 -1.027 18216
1674 1 4 . 1 1 57 57 ASP CA C 57 52.946 52.946 53.261 -0.315 18216
1675 1 4 . 1 1 57 57 ASP CB C 57 43.115 43.115 44.047 -0.932 18216
1676 1 4 . 1 1 57 57 ASP H H 57 8.314 8.314 8.268 0.046 18216
1677 1 4 . 1 1 58 58 ILE N N 58 125.903 125.903 122.023 3.880 18216
1678 1 4 . 1 1 58 58 ILE HA H 58 4.360 4.360 4.464 -0.104 18216
1679 1 4 . 1 1 58 58 ILE C C 58 170.591 170.591 173.812 -3.221 18216
1680 1 4 . 1 1 58 58 ILE CA C 58 59.354 59.354 59.005 0.348 18216
1681 1 4 . 1 1 58 58 ILE CB C 58 37.984 37.984 40.676 -2.692 18216
1682 1 4 . 1 1 58 58 ILE H H 58 9.901 9.901 8.132 1.769 18216
1683 1 4 . 1 1 59 59 PRO HA H 59 4.536 4.536 4.670 -0.134 18216
1684 1 4 . 1 1 59 59 PRO C C 59 175.502 175.502 177.151 -1.649 18216
1685 1 4 . 1 1 59 59 PRO CA C 59 62.523 62.523 61.946 0.577 18216
1686 1 4 . 1 1 59 59 PRO CB C 59 32.790 32.790 32.780 0.010 18216
1687 1 4 . 1 1 60 60 ASP N N 60 122.930 122.930 120.039 2.891 18216
1688 1 4 . 1 1 60 60 ASP HA H 60 4.233 4.233 4.235 -0.002 18216
1689 1 4 . 1 1 60 60 ASP C C 60 175.742 175.742 178.225 -2.483 18216
1690 1 4 . 1 1 60 60 ASP CA C 60 57.966 57.966 57.992 -0.026 18216
1691 1 4 . 1 1 60 60 ASP CB C 60 40.410 40.410 40.456 -0.046 18216
1692 1 4 . 1 1 60 60 ASP H H 60 8.880 8.880 8.679 0.201 18216
1693 1 4 . 1 1 61 61 ASP N N 61 115.336 115.336 118.930 -3.594 18216
1694 1 4 . 1 1 61 61 ASP HA H 61 4.342 4.342 4.426 -0.084 18216
1695 1 4 . 1 1 61 61 ASP C C 61 176.158 176.158 177.340 -1.182 18216
1696 1 4 . 1 1 61 61 ASP CA C 61 56.199 56.199 56.442 -0.243 18216
1697 1 4 . 1 1 61 61 ASP CB C 61 39.990 39.990 40.703 -0.713 18216
1698 1 4 . 1 1 61 61 ASP H H 61 8.736 8.736 8.623 0.113 18216
1699 1 4 . 1 1 62 62 GLU N N 62 118.044 118.044 116.804 1.240 18216
1700 1 4 . 1 1 62 62 GLU HA H 62 4.237 4.237 4.436 -0.199 18216
1701 1 4 . 1 1 62 62 GLU C C 62 177.114 177.114 176.627 0.487 18216
1702 1 4 . 1 1 62 62 GLU CA C 62 57.354 57.354 55.102 2.252 18216
1703 1 4 . 1 1 62 62 GLU CB C 62 29.151 29.151 28.907 0.244 18216
1704 1 4 . 1 1 62 62 GLU H H 62 7.419 7.419 7.926 -0.507 18216
1705 1 4 . 1 1 63 63 ALA N N 63 123.014 123.014 123.515 -0.501 18216
1706 1 4 . 1 1 63 63 ALA HA H 63 3.708 3.708 4.122 -0.414 18216
1707 1 4 . 1 1 63 63 ALA C C 63 177.936 177.936 178.214 -0.278 18216
1708 1 4 . 1 1 63 63 ALA CA C 63 55.400 55.400 54.826 0.574 18216
1709 1 4 . 1 1 63 63 ALA CB C 63 18.245 18.245 18.679 -0.434 18216
1710 1 4 . 1 1 63 63 ALA H H 63 8.338 8.338 7.501 0.837 18216
1711 1 4 . 1 1 64 64 THR N N 64 107.396 107.396 106.963 0.433 18216
1712 1 4 . 1 1 64 64 THR HA H 64 4.038 4.038 4.303 -0.265 18216
1713 1 4 . 1 1 64 64 THR C C 64 173.058 173.058 174.867 -1.809 18216
1714 1 4 . 1 1 64 64 THR CA C 64 64.120 64.120 61.571 2.549 18216
1715 1 4 . 1 1 64 64 THR CB C 64 69.241 69.241 68.756 0.485 18216
1716 1 4 . 1 1 64 64 THR H H 64 7.534 7.534 8.152 -0.618 18216
1717 1 4 . 1 1 65 65 LYS N N 65 118.248 118.248 120.544 -2.296 18216
1718 1 4 . 1 1 65 65 LYS HA H 65 4.233 4.233 4.492 -0.259 18216
1719 1 4 . 1 1 65 65 LYS C C 65 174.655 174.655 175.028 -0.373 18216
1720 1 4 . 1 1 65 65 LYS CA C 65 56.591 56.591 55.195 1.396 18216
1721 1 4 . 1 1 65 65 LYS CB C 65 33.090 33.090 33.543 -0.453 18216
1722 1 4 . 1 1 65 65 LYS H H 65 7.201 7.201 7.812 -0.611 18216
1723 1 4 . 1 1 66 66 ILE N N 66 121.918 121.918 112.842 9.076 18216
1724 1 4 . 1 1 66 66 ILE HA H 66 3.872 3.872 4.615 -0.743 18216
1725 1 4 . 1 1 66 66 ILE C C 66 172.490 172.490 175.052 -2.562 18216
1726 1 4 . 1 1 66 66 ILE CA C 66 62.250 62.250 60.014 2.236 18216
1727 1 4 . 1 1 66 66 ILE CB C 66 37.132 37.132 38.286 -1.154 18216
1728 1 4 . 1 1 66 66 ILE H H 66 7.323 7.323 7.228 0.095 18216
1729 1 4 . 1 1 67 67 LYS N N 67 126.438 126.438 122.035 4.403 18216
1730 1 4 . 1 1 67 67 LYS HA H 67 4.787 4.787 4.275 0.512 18216
1731 1 4 . 1 1 67 67 LYS C C 67 176.156 176.156 176.882 -0.726 18216
1732 1 4 . 1 1 67 67 LYS CA C 67 56.078 56.078 59.002 -2.924 18216
1733 1 4 . 1 1 67 67 LYS CB C 67 35.435 35.435 32.553 2.882 18216
1734 1 4 . 1 1 67 67 LYS H H 67 9.625 9.625 8.374 1.251 18216
1735 1 4 . 1 1 68 68 THR N N 68 111.201 111.201 114.436 -3.235 18216
1736 1 4 . 1 1 68 68 THR HA H 68 5.041 5.041 4.333 0.708 18216
1737 1 4 . 1 1 68 68 THR C C 68 173.425 173.425 175.718 -2.293 18216
1738 1 4 . 1 1 68 68 THR CA C 68 58.436 58.436 61.903 -3.467 18216
1739 1 4 . 1 1 68 68 THR CB C 68 73.683 73.683 69.423 4.260 18216
1740 1 4 . 1 1 68 68 THR H H 68 8.308 8.308 7.604 0.704 18216
1741 1 4 . 1 1 69 69 VAL N N 69 120.740 120.740 122.983 -2.243 18216
1742 1 4 . 1 1 69 69 VAL HA H 69 3.456 3.456 3.786 -0.330 18216
1743 1 4 . 1 1 69 69 VAL C C 69 176.481 176.481 177.586 -1.105 18216
1744 1 4 . 1 1 69 69 VAL CA C 69 67.506 67.506 65.683 1.823 18216
1745 1 4 . 1 1 69 69 VAL CB C 69 31.255 31.255 30.268 0.987 18216
1746 1 4 . 1 1 69 69 VAL H H 69 7.685 7.685 8.597 -0.912 18216
1747 1 4 . 1 1 70 70 SER N N 70 114.441 114.441 113.958 0.483 18216
1748 1 4 . 1 1 70 70 SER HA H 70 4.094 4.094 4.294 -0.200 18216
1749 1 4 . 1 1 70 70 SER C C 70 174.461 174.461 175.867 -1.406 18216
1750 1 4 . 1 1 70 70 SER CA C 70 61.222 61.222 61.537 -0.315 18216
1751 1 4 . 1 1 70 70 SER CB C 70 62.761 62.761 63.078 -0.317 18216
1752 1 4 . 1 1 70 70 SER H H 70 8.866 8.866 8.150 0.716 18216
1753 1 4 . 1 1 71 71 ASP N N 71 121.065 121.065 123.368 -2.303 18216
1754 1 4 . 1 1 71 71 ASP HA H 71 4.434 4.434 4.703 -0.269 18216
1755 1 4 . 1 1 71 71 ASP C C 71 177.272 177.272 178.502 -1.230 18216
1756 1 4 . 1 1 71 71 ASP CA C 71 57.801 57.801 56.260 1.541 18216
1757 1 4 . 1 1 71 71 ASP CB C 71 41.976 41.976 40.706 1.270 18216
1758 1 4 . 1 1 71 71 ASP H H 71 8.094 8.094 7.811 0.283 18216
1759 1 4 . 1 1 72 72 VAL N N 72 120.351 120.351 121.076 -0.725 18216
1760 1 4 . 1 1 72 72 VAL HA H 72 3.706 3.706 3.664 0.042 18216
1761 1 4 . 1 1 72 72 VAL C C 72 174.409 174.409 177.310 -2.901 18216
1762 1 4 . 1 1 72 72 VAL CA C 72 66.232 66.232 66.541 -0.309 18216
1763 1 4 . 1 1 72 72 VAL CB C 72 31.733 31.733 31.379 0.354 18216
1764 1 4 . 1 1 72 72 VAL H H 72 7.714 7.714 8.463 -0.749 18216
1765 1 4 . 1 1 73 73 ILE N N 73 120.114 120.114 117.258 2.856 18216
1766 1 4 . 1 1 73 73 ILE HA H 73 3.365 3.365 3.791 -0.426 18216
1767 1 4 . 1 1 73 73 ILE C C 73 175.111 175.111 178.524 -3.413 18216
1768 1 4 . 1 1 73 73 ILE CA C 73 66.114 66.114 63.181 2.933 18216
1769 1 4 . 1 1 73 73 ILE CB C 73 38.264 38.264 36.270 1.994 18216
1770 1 4 . 1 1 73 73 ILE H H 73 7.710 7.710 7.572 0.138 18216
1771 1 4 . 1 1 74 74 LYS N N 74 118.158 118.158 121.406 -3.248 18216
1772 1 4 . 1 1 74 74 LYS HA H 74 3.863 3.863 4.024 -0.161 18216
1773 1 4 . 1 1 74 74 LYS C C 74 175.814 175.814 178.590 -2.776 18216
1774 1 4 . 1 1 74 74 LYS CA C 74 59.868 59.868 59.413 0.455 18216
1775 1 4 . 1 1 74 74 LYS CB C 74 32.727 32.727 32.317 0.410 18216
1776 1 4 . 1 1 74 74 LYS H H 74 8.422 8.422 7.499 0.923 18216
1777 1 4 . 1 1 75 75 TYR N N 75 119.834 119.834 120.476 -0.642 18216
1778 1 4 . 1 1 75 75 TYR HA H 75 3.959 3.959 4.271 -0.312 18216
1779 1 4 . 1 1 75 75 TYR C C 75 176.122 176.122 177.994 -1.872 18216
1780 1 4 . 1 1 75 75 TYR CA C 75 62.025 62.025 61.517 0.509 18216
1781 1 4 . 1 1 75 75 TYR CB C 75 38.891 38.891 39.205 -0.314 18216
1782 1 4 . 1 1 75 75 TYR H H 75 7.701 7.701 8.057 -0.356 18216
1783 1 4 . 1 1 76 76 ILE N N 76 117.609 117.609 118.309 -0.700 18216
1784 1 4 . 1 1 76 76 ILE HA H 76 3.255 3.255 3.380 -0.125 18216
1785 1 4 . 1 1 76 76 ILE C C 76 176.730 176.730 177.584 -0.854 18216
1786 1 4 . 1 1 76 76 ILE CA C 76 65.383 65.383 65.191 0.192 18216
1787 1 4 . 1 1 76 76 ILE CB C 76 38.797 38.797 37.216 1.581 18216
1788 1 4 . 1 1 76 76 ILE H H 76 8.032 8.032 8.579 -0.547 18216
1789 1 4 . 1 1 77 77 LYS N N 77 117.750 117.750 120.281 -2.531 18216
1790 1 4 . 1 1 77 77 LYS HA H 77 3.804 3.804 3.873 -0.069 18216
1791 1 4 . 1 1 77 77 LYS C C 77 177.793 177.793 178.934 -1.141 18216
1792 1 4 . 1 1 77 77 LYS CA C 77 60.288 60.288 59.529 0.759 18216
1793 1 4 . 1 1 77 77 LYS CB C 77 32.504 32.504 31.962 0.542 18216
1794 1 4 . 1 1 77 77 LYS H H 77 8.353 8.353 7.550 0.803 18216
1795 1 4 . 1 1 78 78 GLU N N 78 117.517 117.517 119.324 -1.807 18216
1796 1 4 . 1 1 78 78 GLU HA H 78 4.048 4.048 3.991 0.057 18216
1797 1 4 . 1 1 78 78 GLU C C 78 175.974 175.974 178.061 -2.087 18216
1798 1 4 . 1 1 78 78 GLU CA C 78 58.352 58.352 58.346 0.006 18216
1799 1 4 . 1 1 78 78 GLU CB C 78 29.598 29.598 29.096 0.502 18216
1800 1 4 . 1 1 78 78 GLU H H 78 8.057 8.057 7.684 0.373 18216
1801 1 4 . 1 1 79 79 ARG N N 79 117.613 117.613 117.617 -0.004 18216
1802 1 4 . 1 1 79 79 ARG HA H 79 4.271 4.271 4.024 0.247 18216
1803 1 4 . 1 1 79 79 ARG C C 79 174.583 174.583 177.101 -2.518 18216
1804 1 4 . 1 1 79 79 ARG CA C 79 55.965 55.965 56.727 -0.762 18216
1805 1 4 . 1 1 79 79 ARG CB C 79 30.171 30.171 30.300 -0.129 18216
1806 1 4 . 1 1 79 79 ARG H H 79 7.544 7.544 7.568 -0.024 18216
1807 1 4 . 1 1 80 80 GLN N N 80 119.495 119.495 119.246 0.249 18216
1808 1 4 . 1 1 80 80 GLN HA H 80 4.400 4.400 4.245 0.155 18216
1809 1 4 . 1 1 80 80 GLN C C 80 173.178 173.178 174.895 -1.717 18216
1810 1 4 . 1 1 80 80 GLN CA C 80 56.114 56.114 56.370 -0.256 18216
1811 1 4 . 1 1 80 80 GLN CB C 80 29.391 29.391 29.399 -0.008 18216
1812 1 4 . 1 1 80 80 GLN H H 80 7.675 7.675 7.682 -0.007 18216
1813 1 5 . 1 1 4 4 THR HA H 4 4.199 4.199 4.428 -0.229 18216
1814 1 5 . 1 1 4 4 THR C C 4 172.396 172.396 174.686 -2.290 18216
1815 1 5 . 1 1 4 4 THR CA C 4 62.877 62.877 63.045 -0.168 18216
1816 1 5 . 1 1 4 4 THR CB C 4 69.501 69.501 69.732 -0.231 18216
1817 1 5 . 1 1 5 5 ASP N N 5 123.982 123.982 123.283 0.699 18216
1818 1 5 . 1 1 5 5 ASP HA H 5 4.560 4.560 4.365 0.195 18216
1819 1 5 . 1 1 5 5 ASP C C 5 174.716 174.716 177.864 -3.148 18216
1820 1 5 . 1 1 5 5 ASP CA C 5 54.733 54.733 57.832 -3.099 18216
1821 1 5 . 1 1 5 5 ASP CB C 5 41.451 41.451 41.010 0.441 18216
1822 1 5 . 1 1 5 5 ASP H H 5 8.457 8.457 8.642 -0.185 18216
1823 1 5 . 1 1 6 6 LYS N N 6 122.949 122.949 117.445 5.504 18216
1824 1 5 . 1 1 6 6 LYS HA H 6 4.141 4.141 4.089 0.052 18216
1825 1 5 . 1 1 6 6 LYS C C 6 177.076 177.076 178.981 -1.905 18216
1826 1 5 . 1 1 6 6 LYS CA C 6 58.725 58.725 58.739 -0.014 18216
1827 1 5 . 1 1 6 6 LYS CB C 6 32.481 32.481 31.952 0.529 18216
1828 1 5 . 1 1 6 6 LYS H H 6 8.421 8.421 8.307 0.114 18216
1829 1 5 . 1 1 7 7 ILE N N 7 121.024 121.024 118.779 2.245 18216
1830 1 5 . 1 1 7 7 ILE HA H 7 4.036 4.036 3.775 0.261 18216
1831 1 5 . 1 1 7 7 ILE C C 7 174.780 174.780 177.551 -2.771 18216
1832 1 5 . 1 1 7 7 ILE CA C 7 64.418 64.418 64.808 -0.390 18216
1833 1 5 . 1 1 7 7 ILE CB C 7 37.541 37.541 37.688 -0.146 18216
1834 1 5 . 1 1 7 7 ILE H H 7 8.055 8.055 7.810 0.245 18216
1835 1 5 . 1 1 8 8 GLU N N 8 119.901 119.901 119.115 0.786 18216
1836 1 5 . 1 1 8 8 GLU HA H 8 3.620 3.620 3.848 -0.228 18216
1837 1 5 . 1 1 8 8 GLU C C 8 175.403 175.403 179.194 -3.791 18216
1838 1 5 . 1 1 8 8 GLU CA C 8 60.226 60.226 59.561 0.665 18216
1839 1 5 . 1 1 8 8 GLU CB C 8 29.793 29.793 29.276 0.517 18216
1840 1 5 . 1 1 8 8 GLU H H 8 8.178 8.178 7.793 0.385 18216
1841 1 5 . 1 1 9 9 GLN N N 9 114.019 114.019 118.251 -4.232 18216
1842 1 5 . 1 1 9 9 GLN HA H 9 3.887 3.887 4.242 -0.355 18216
1843 1 5 . 1 1 9 9 GLN C C 9 176.383 176.383 178.304 -1.921 18216
1844 1 5 . 1 1 9 9 GLN CA C 9 59.031 59.031 57.656 1.375 18216
1845 1 5 . 1 1 9 9 GLN CB C 9 28.829 28.829 28.936 -0.107 18216
1846 1 5 . 1 1 9 9 GLN H H 9 7.923 7.923 7.785 0.138 18216
1847 1 5 . 1 1 10 10 LYS N N 10 119.999 119.999 120.905 -0.906 18216
1848 1 5 . 1 1 10 10 LYS HA H 10 4.182 4.182 4.196 -0.014 18216
1849 1 5 . 1 1 10 10 LYS C C 10 176.671 176.671 178.266 -1.595 18216
1850 1 5 . 1 1 10 10 LYS CA C 10 58.067 58.067 57.930 0.137 18216
1851 1 5 . 1 1 10 10 LYS CB C 10 31.522 31.522 32.060 -0.538 18216
1852 1 5 . 1 1 10 10 LYS H H 10 7.783 7.783 8.147 -0.364 18216
1853 1 5 . 1 1 11 11 VAL N N 11 119.291 119.291 121.153 -1.862 18216
1854 1 5 . 1 1 11 11 VAL HA H 11 3.602 3.602 3.898 -0.296 18216
1855 1 5 . 1 1 11 11 VAL C C 11 176.092 176.092 176.915 -0.823 18216
1856 1 5 . 1 1 11 11 VAL CA C 11 67.715 67.715 65.536 2.179 18216
1857 1 5 . 1 1 11 11 VAL CB C 11 30.791 30.791 32.053 -1.262 18216
1858 1 5 . 1 1 11 11 VAL H H 11 8.928 8.928 7.692 1.236 18216
1859 1 5 . 1 1 12 12 ILE N N 12 119.163 119.163 120.045 -0.882 18216
1860 1 5 . 1 1 12 12 ILE HA H 12 3.413 3.413 3.715 -0.302 18216
1861 1 5 . 1 1 12 12 ILE C C 12 175.417 175.417 177.002 -1.585 18216
1862 1 5 . 1 1 12 12 ILE CA C 12 68.032 68.032 64.398 3.634 18216
1863 1 5 . 1 1 12 12 ILE CB C 12 37.135 37.135 37.850 -0.715 18216
1864 1 5 . 1 1 12 12 ILE H H 12 8.255 8.255 7.335 0.920 18216
1865 1 5 . 1 1 13 13 GLU N N 13 118.515 118.515 119.076 -0.561 18216
1866 1 5 . 1 1 13 13 GLU HA H 13 3.868 3.868 4.034 -0.166 18216
1867 1 5 . 1 1 13 13 GLU C C 13 177.514 177.514 177.934 -0.420 18216
1868 1 5 . 1 1 13 13 GLU CA C 13 60.145 60.145 58.839 1.306 18216
1869 1 5 . 1 1 13 13 GLU CB C 13 29.487 29.487 29.538 -0.051 18216
1870 1 5 . 1 1 13 13 GLU H H 13 7.821 7.821 8.312 -0.491 18216
1871 1 5 . 1 1 14 14 MET N N 14 120.174 120.174 119.169 1.005 18216
1872 1 5 . 1 1 14 14 MET HA H 14 4.168 4.168 4.116 0.052 18216
1873 1 5 . 1 1 14 14 MET C C 14 176.631 176.631 177.909 -1.278 18216
1874 1 5 . 1 1 14 14 MET CA C 14 59.409 59.409 58.264 1.145 18216
1875 1 5 . 1 1 14 14 MET CB C 14 33.931 33.931 32.778 1.153 18216
1876 1 5 . 1 1 14 14 MET H H 14 8.610 8.610 7.441 1.169 18216
1877 1 5 . 1 1 15 15 VAL N N 15 120.579 120.579 119.267 1.312 18216
1878 1 5 . 1 1 15 15 VAL HA H 15 3.441 3.441 3.494 -0.053 18216
1879 1 5 . 1 1 15 15 VAL C C 15 175.086 175.086 177.627 -2.541 18216
1880 1 5 . 1 1 15 15 VAL CA C 15 67.096 67.096 67.058 0.038 18216
1881 1 5 . 1 1 15 15 VAL CB C 15 31.481 31.481 31.022 0.459 18216
1882 1 5 . 1 1 15 15 VAL H H 15 8.975 8.975 7.728 1.247 18216
1883 1 5 . 1 1 16 16 ALA N N 16 121.102 121.102 119.928 1.174 18216
1884 1 5 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.342 -0.564 18216
1885 1 5 . 1 1 16 16 ALA C C 16 178.027 178.027 179.746 -1.719 18216
1886 1 5 . 1 1 16 16 ALA CA C 16 55.944 55.944 54.563 1.381 18216
1887 1 5 . 1 1 16 16 ALA CB C 16 18.234 18.234 18.481 -0.247 18216
1888 1 5 . 1 1 16 16 ALA H H 16 8.387 8.387 7.661 0.726 18216
1889 1 5 . 1 1 17 17 GLU N N 17 115.683 115.683 116.187 -0.504 18216
1890 1 5 . 1 1 17 17 GLU HA H 17 4.102 4.102 4.305 -0.203 18216
1891 1 5 . 1 1 17 17 GLU C C 17 177.810 177.810 177.821 -0.011 18216
1892 1 5 . 1 1 17 17 GLU CA C 17 59.241 59.241 56.973 2.268 18216
1893 1 5 . 1 1 17 17 GLU CB C 17 30.175 30.175 30.061 0.114 18216
1894 1 5 . 1 1 17 17 GLU H H 17 8.043 8.043 7.945 0.098 18216
1895 1 5 . 1 1 18 18 LYS N N 18 116.582 116.582 119.213 -2.631 18216
1896 1 5 . 1 1 18 18 LYS HA H 18 4.186 4.186 3.976 0.210 18216
1897 1 5 . 1 1 18 18 LYS C C 18 175.949 175.949 176.771 -0.822 18216
1898 1 5 . 1 1 18 18 LYS CA C 18 57.029 57.029 58.643 -1.614 18216
1899 1 5 . 1 1 18 18 LYS CB C 18 31.479 31.479 32.736 -1.257 18216
1900 1 5 . 1 1 18 18 LYS H H 18 8.669 8.669 7.973 0.696 18216
1901 1 5 . 1 1 19 19 LEU N N 19 113.633 113.633 117.002 -3.369 18216
1902 1 5 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.374 0.117 18216
1903 1 5 . 1 1 19 19 LEU C C 19 174.261 174.261 175.390 -1.129 18216
1904 1 5 . 1 1 19 19 LEU CA C 19 54.230 54.230 52.952 1.278 18216
1905 1 5 . 1 1 19 19 LEU CB C 19 40.477 40.477 41.278 -0.801 18216
1906 1 5 . 1 1 19 19 LEU H H 19 8.226 8.226 7.498 0.728 18216
1907 1 5 . 1 1 20 20 ASN N N 20 117.866 117.866 117.976 -0.110 18216
1908 1 5 . 1 1 20 20 ASN HA H 20 4.416 4.416 4.452 -0.036 18216
1909 1 5 . 1 1 20 20 ASN C C 20 172.278 172.278 173.823 -1.545 18216
1910 1 5 . 1 1 20 20 ASN CA C 20 54.058 54.058 54.013 0.045 18216
1911 1 5 . 1 1 20 20 ASN CB C 20 36.788 36.788 37.008 -0.220 18216
1912 1 5 . 1 1 20 20 ASN H H 20 7.616 7.616 8.019 -0.403 18216
1913 1 5 . 1 1 21 21 LYS N N 21 117.035 117.035 120.157 -3.122 18216
1914 1 5 . 1 1 21 21 LYS HA H 21 4.717 4.717 4.440 0.277 18216
1915 1 5 . 1 1 21 21 LYS C C 21 173.009 173.009 175.584 -2.575 18216
1916 1 5 . 1 1 21 21 LYS CA C 21 52.589 52.589 55.148 -2.559 18216
1917 1 5 . 1 1 21 21 LYS CB C 21 36.114 36.114 34.903 1.211 18216
1918 1 5 . 1 1 21 21 LYS H H 21 8.473 8.473 7.557 0.916 18216
1919 1 5 . 1 1 22 22 ASP N N 22 120.954 120.954 126.097 -5.143 18216
1920 1 5 . 1 1 22 22 ASP HA H 22 4.422 4.422 4.443 -0.021 18216
1921 1 5 . 1 1 22 22 ASP C C 22 175.257 175.257 177.783 -2.526 18216
1922 1 5 . 1 1 22 22 ASP CA C 22 54.220 54.220 54.575 -0.355 18216
1923 1 5 . 1 1 22 22 ASP CB C 22 41.895 41.895 42.471 -0.576 18216
1924 1 5 . 1 1 22 22 ASP H H 22 8.261 8.261 8.850 -0.589 18216
1925 1 5 . 1 1 23 23 LYS N N 23 125.865 125.865 125.300 0.565 18216
1926 1 5 . 1 1 23 23 LYS HA H 23 3.742 3.742 4.075 -0.333 18216
1927 1 5 . 1 1 23 23 LYS C C 23 175.599 175.599 176.553 -0.954 18216
1928 1 5 . 1 1 23 23 LYS CA C 23 59.607 59.607 58.680 0.927 18216
1929 1 5 . 1 1 23 23 LYS CB C 23 32.184 32.184 31.770 0.414 18216
1930 1 5 . 1 1 23 23 LYS H H 23 8.697 8.697 8.641 0.056 18216
1931 1 5 . 1 1 24 24 ALA N N 24 118.731 118.731 120.095 -1.364 18216
1932 1 5 . 1 1 24 24 ALA HA H 24 4.110 4.110 4.323 -0.213 18216
1933 1 5 . 1 1 24 24 ALA C C 24 177.449 177.449 177.732 -0.283 18216
1934 1 5 . 1 1 24 24 ALA CA C 24 54.192 54.192 52.665 1.527 18216
1935 1 5 . 1 1 24 24 ALA CB C 24 19.018 19.018 19.120 -0.103 18216
1936 1 5 . 1 1 24 24 ALA H H 24 8.509 8.509 7.961 0.548 18216
1937 1 5 . 1 1 25 25 ILE N N 25 110.020 110.020 116.030 -6.010 18216
1938 1 5 . 1 1 25 25 ILE HA H 25 4.406 4.406 4.227 0.179 18216
1939 1 5 . 1 1 25 25 ILE C C 25 173.524 173.524 175.597 -2.073 18216
1940 1 5 . 1 1 25 25 ILE CA C 25 60.373 60.373 61.415 -1.042 18216
1941 1 5 . 1 1 25 25 ILE CB C 25 38.423 38.423 40.049 -1.626 18216
1942 1 5 . 1 1 25 25 ILE H H 25 7.562 7.562 7.842 -0.280 18216
1943 1 5 . 1 1 26 26 ILE N N 26 122.932 122.932 123.000 -0.068 18216
1944 1 5 . 1 1 26 26 ILE HA H 26 3.961 3.961 4.006 -0.045 18216
1945 1 5 . 1 1 26 26 ILE C C 26 172.610 172.610 175.553 -2.943 18216
1946 1 5 . 1 1 26 26 ILE CA C 26 61.520 61.520 62.070 -0.550 18216
1947 1 5 . 1 1 26 26 ILE CB C 26 37.367 37.367 35.978 1.389 18216
1948 1 5 . 1 1 26 26 ILE H H 26 7.377 7.377 7.562 -0.185 18216
1949 1 5 . 1 1 27 27 THR N N 27 116.747 116.747 118.043 -1.296 18216
1950 1 5 . 1 1 27 27 THR HA H 27 4.857 4.857 4.728 0.129 18216
1951 1 5 . 1 1 27 27 THR C C 27 174.186 174.186 174.834 -0.648 18216
1952 1 5 . 1 1 27 27 THR CA C 27 58.917 58.917 59.822 -0.905 18216
1953 1 5 . 1 1 27 27 THR CB C 27 72.257 72.257 70.959 1.298 18216
1954 1 5 . 1 1 27 27 THR H H 27 8.549 8.549 7.697 0.852 18216
1955 1 5 . 1 1 28 28 THR N N 28 110.578 110.578 109.420 1.158 18216
1956 1 5 . 1 1 28 28 THR HA H 28 3.743 3.743 4.052 -0.309 18216
1957 1 5 . 1 1 28 28 THR C C 28 172.642 172.642 175.335 -2.693 18216
1958 1 5 . 1 1 28 28 THR CA C 28 65.306 65.306 64.601 0.705 18216
1959 1 5 . 1 1 28 28 THR CB C 28 67.621 67.621 69.041 -1.420 18216
1960 1 5 . 1 1 28 28 THR H H 28 8.817 8.817 8.323 0.494 18216
1961 1 5 . 1 1 29 29 ASP N N 29 117.036 117.036 119.785 -2.749 18216
1962 1 5 . 1 1 29 29 ASP HA H 29 4.719 4.719 4.600 0.119 18216
1963 1 5 . 1 1 29 29 ASP C C 29 174.246 174.246 176.636 -2.390 18216
1964 1 5 . 1 1 29 29 ASP CA C 29 54.208 54.208 55.519 -1.311 18216
1965 1 5 . 1 1 29 29 ASP CB C 29 41.567 41.567 40.416 1.151 18216
1966 1 5 . 1 1 29 29 ASP H H 29 7.777 7.777 8.240 -0.463 18216
1967 1 5 . 1 1 30 30 SER N N 30 117.171 117.171 112.780 4.391 18216
1968 1 5 . 1 1 30 30 SER HA H 30 4.063 4.063 4.172 -0.109 18216
1969 1 5 . 1 1 30 30 SER C C 30 171.138 171.138 174.011 -2.873 18216
1970 1 5 . 1 1 30 30 SER CA C 30 61.581 61.581 59.521 2.060 18216
1971 1 5 . 1 1 30 30 SER CB C 30 63.349 63.349 61.792 1.556 18216
1972 1 5 . 1 1 30 30 SER H H 30 7.619 7.619 7.625 -0.006 18216
1973 1 5 . 1 1 31 31 ARG N N 31 124.648 124.648 120.852 3.796 18216
1974 1 5 . 1 1 31 31 ARG HA H 31 4.644 4.644 4.132 0.512 18216
1975 1 5 . 1 1 31 31 ARG C C 31 176.660 176.660 176.513 0.147 18216
1976 1 5 . 1 1 31 31 ARG CA C 31 54.323 54.323 55.003 -0.680 18216
1977 1 5 . 1 1 31 31 ARG CB C 31 30.539 30.539 29.907 0.632 18216
1978 1 5 . 1 1 31 31 ARG H H 31 10.379 10.379 7.404 2.975 18216
1979 1 5 . 1 1 32 32 PHE N N 32 124.068 124.068 117.893 6.175 18216
1980 1 5 . 1 1 32 32 PHE HA H 32 3.964 3.964 4.184 -0.220 18216
1981 1 5 . 1 1 32 32 PHE C C 32 173.376 173.376 177.336 -3.960 18216
1982 1 5 . 1 1 32 32 PHE CA C 32 62.578 62.578 60.051 2.527 18216
1983 1 5 . 1 1 32 32 PHE CB C 32 38.147 38.147 37.913 0.233 18216
1984 1 5 . 1 1 32 32 PHE H H 32 7.833 7.833 7.629 0.204 18216
1985 1 5 . 1 1 33 33 ILE N N 33 116.395 116.395 119.806 -3.411 18216
1986 1 5 . 1 1 33 33 ILE HA H 33 4.044 4.044 3.800 0.244 18216
1987 1 5 . 1 1 33 33 ILE C C 33 178.005 178.005 177.472 0.533 18216
1988 1 5 . 1 1 33 33 ILE CA C 33 64.293 64.293 63.608 0.685 18216
1989 1 5 . 1 1 33 33 ILE CB C 33 36.905 36.905 37.895 -0.991 18216
1990 1 5 . 1 1 33 33 ILE H H 33 8.696 8.696 7.502 1.194 18216
1991 1 5 . 1 1 34 34 GLU N N 34 117.346 117.346 119.087 -1.741 18216
1992 1 5 . 1 1 34 34 GLU HA H 34 3.859 3.859 4.127 -0.268 18216
1993 1 5 . 1 1 34 34 GLU C C 34 175.723 175.723 178.242 -2.519 18216
1994 1 5 . 1 1 34 34 GLU CA C 34 62.485 62.485 58.619 3.866 18216
1995 1 5 . 1 1 34 34 GLU CB C 34 29.032 29.032 29.838 -0.806 18216
1996 1 5 . 1 1 34 34 GLU H H 34 9.408 9.408 7.774 1.634 18216
1997 1 5 . 1 1 35 35 ASP N N 35 112.053 112.053 119.858 -7.805 18216
1998 1 5 . 1 1 35 35 ASP HA H 35 5.026 5.026 4.389 0.637 18216
1999 1 5 . 1 1 35 35 ASP C C 35 175.237 175.237 177.884 -2.647 18216
2000 1 5 . 1 1 35 35 ASP CA C 35 55.996 55.996 56.636 -0.640 18216
2001 1 5 . 1 1 35 35 ASP CB C 35 41.508 41.508 40.899 0.609 18216
2002 1 5 . 1 1 35 35 ASP H H 35 7.527 7.527 8.273 -0.746 18216
2003 1 5 . 1 1 36 36 LEU N N 36 115.898 115.898 118.843 -2.945 18216
2004 1 5 . 1 1 36 36 LEU HA H 36 4.274 4.274 4.361 -0.087 18216
2005 1 5 . 1 1 36 36 LEU C C 36 172.955 172.955 176.210 -3.255 18216
2006 1 5 . 1 1 36 36 LEU CA C 36 54.739 54.739 55.121 -0.382 18216
2007 1 5 . 1 1 36 36 LEU CB C 36 40.891 40.891 42.022 -1.131 18216
2008 1 5 . 1 1 36 36 LEU H H 36 7.648 7.648 7.744 -0.096 18216
2009 1 5 . 1 1 37 37 LYS N N 37 114.307 114.307 115.685 -1.378 18216
2010 1 5 . 1 1 37 37 LYS HA H 37 4.207 4.207 4.115 0.092 18216
2011 1 5 . 1 1 37 37 LYS C C 37 174.539 174.539 175.782 -1.243 18216
2012 1 5 . 1 1 37 37 LYS CA C 37 55.942 55.942 56.782 -0.840 18216
2013 1 5 . 1 1 37 37 LYS CB C 37 28.513 28.513 29.114 -0.601 18216
2014 1 5 . 1 1 37 37 LYS H H 37 7.247 7.247 7.459 -0.212 18216
2015 1 5 . 1 1 38 38 ALA N N 38 121.453 121.453 122.399 -0.946 18216
2016 1 5 . 1 1 38 38 ALA HA H 38 4.392 4.392 4.154 0.238 18216
2017 1 5 . 1 1 38 38 ALA C C 38 175.605 175.605 176.791 -1.186 18216
2018 1 5 . 1 1 38 38 ALA CA C 38 52.008 52.008 52.710 -0.702 18216
2019 1 5 . 1 1 38 38 ALA CB C 38 20.568 20.568 19.868 0.700 18216
2020 1 5 . 1 1 38 38 ALA H H 38 8.442 8.442 7.835 0.607 18216
2021 1 5 . 1 1 39 39 ASP N N 39 123.391 123.391 120.676 2.715 18216
2022 1 5 . 1 1 39 39 ASP HA H 39 4.782 4.782 4.855 -0.073 18216
2023 1 5 . 1 1 39 39 ASP C C 39 175.798 175.798 176.898 -1.100 18216
2024 1 5 . 1 1 39 39 ASP CA C 39 52.823 52.823 53.813 -0.990 18216
2025 1 5 . 1 1 39 39 ASP CB C 39 42.613 42.613 42.714 -0.101 18216
2026 1 5 . 1 1 39 39 ASP H H 39 9.038 9.038 8.179 0.859 18216
2027 1 5 . 1 1 40 40 SER N N 40 116.961 116.961 115.226 1.735 18216
2028 1 5 . 1 1 40 40 SER HA H 40 4.226 4.226 4.322 -0.096 18216
2029 1 5 . 1 1 40 40 SER C C 40 174.197 174.197 175.836 -1.639 18216
2030 1 5 . 1 1 40 40 SER CA C 40 60.234 60.234 61.062 -0.827 18216
2031 1 5 . 1 1 40 40 SER CB C 40 65.619 65.619 63.541 2.078 18216
2032 1 5 . 1 1 40 40 SER H H 40 8.936 8.936 8.599 0.337 18216
2033 1 5 . 1 1 41 41 LEU N N 41 124.152 124.152 117.061 7.091 18216
2034 1 5 . 1 1 41 41 LEU HA H 41 4.187 4.187 4.225 -0.038 18216
2035 1 5 . 1 1 41 41 LEU C C 41 175.316 175.316 177.631 -2.315 18216
2036 1 5 . 1 1 41 41 LEU CA C 41 57.873 57.873 57.117 0.756 18216
2037 1 5 . 1 1 41 41 LEU CB C 41 41.085 41.085 41.436 -0.351 18216
2038 1 5 . 1 1 41 41 LEU H H 41 8.279 8.279 7.977 0.302 18216
2039 1 5 . 1 1 42 42 ASP N N 42 120.193 120.193 119.455 0.738 18216
2040 1 5 . 1 1 42 42 ASP HA H 42 4.415 4.415 4.548 -0.133 18216
2041 1 5 . 1 1 42 42 ASP C C 42 176.858 176.858 178.375 -1.517 18216
2042 1 5 . 1 1 42 42 ASP CA C 42 57.144 57.144 57.404 -0.260 18216
2043 1 5 . 1 1 42 42 ASP CB C 42 40.895 40.895 40.193 0.702 18216
2044 1 5 . 1 1 42 42 ASP H H 42 8.002 8.002 8.488 -0.486 18216
2045 1 5 . 1 1 43 43 THR N N 43 112.919 112.919 115.229 -2.310 18216
2046 1 5 . 1 1 43 43 THR HA H 43 3.554 3.554 3.986 -0.432 18216
2047 1 5 . 1 1 43 43 THR CA C 43 66.658 66.658 65.926 0.732 18216
2048 1 5 . 1 1 43 43 THR CB C 43 68.423 68.423 68.479 -0.056 18216
2049 1 5 . 1 1 43 43 THR H H 43 7.939 7.939 7.662 0.277 18216
2050 1 5 . 1 1 44 44 VAL HA H 44 3.645 3.645 3.724 -0.079 18216
2051 1 5 . 1 1 44 44 VAL C C 44 176.576 176.576 177.673 -1.097 18216
2052 1 5 . 1 1 44 44 VAL CA C 44 66.873 66.873 65.825 1.048 18216
2053 1 5 . 1 1 44 44 VAL CB C 44 31.658 31.658 30.740 0.918 18216
2054 1 5 . 1 1 45 45 GLU N N 45 119.120 119.120 119.321 -0.201 18216
2055 1 5 . 1 1 45 45 GLU HA H 45 4.060 4.060 4.208 -0.148 18216
2056 1 5 . 1 1 45 45 GLU C C 45 178.332 178.332 179.046 -0.714 18216
2057 1 5 . 1 1 45 45 GLU CA C 45 59.618 59.618 58.622 0.996 18216
2058 1 5 . 1 1 45 45 GLU CB C 45 29.229 29.229 29.930 -0.701 18216
2059 1 5 . 1 1 45 45 GLU H H 45 7.867 7.867 7.614 0.253 18216
2060 1 5 . 1 1 46 46 LEU N N 46 121.527 121.527 120.449 1.078 18216
2061 1 5 . 1 1 46 46 LEU HA H 46 3.997 3.997 3.944 0.053 18216
2062 1 5 . 1 1 46 46 LEU C C 46 175.472 175.472 179.587 -4.115 18216
2063 1 5 . 1 1 46 46 LEU CA C 46 58.391 58.391 57.969 0.422 18216
2064 1 5 . 1 1 46 46 LEU CB C 46 41.312 41.312 42.066 -0.754 18216
2065 1 5 . 1 1 46 46 LEU H H 46 8.200 8.200 8.474 -0.274 18216
2066 1 5 . 1 1 47 47 MET N N 47 117.675 117.675 116.144 1.531 18216
2067 1 5 . 1 1 47 47 MET HA H 47 4.141 4.141 4.054 0.087 18216
2068 1 5 . 1 1 47 47 MET C C 47 177.030 177.030 177.874 -0.844 18216
2069 1 5 . 1 1 47 47 MET CA C 47 57.924 57.924 58.294 -0.370 18216
2070 1 5 . 1 1 47 47 MET CB C 47 31.672 31.672 32.487 -0.815 18216
2071 1 5 . 1 1 47 47 MET H H 47 8.330 8.330 8.111 0.219 18216
2072 1 5 . 1 1 48 48 MET N N 48 117.614 117.614 118.463 -0.849 18216
2073 1 5 . 1 1 48 48 MET HA H 48 4.343 4.343 4.652 -0.309 18216
2074 1 5 . 1 1 48 48 MET C C 48 176.562 176.562 178.189 -1.627 18216
2075 1 5 . 1 1 48 48 MET CA C 48 58.942 58.942 56.839 2.103 18216
2076 1 5 . 1 1 48 48 MET CB C 48 32.951 32.951 32.423 0.528 18216
2077 1 5 . 1 1 48 48 MET H H 48 8.148 8.148 7.617 0.531 18216
2078 1 5 . 1 1 49 49 ALA N N 49 121.729 121.729 123.616 -1.887 18216
2079 1 5 . 1 1 49 49 ALA HA H 49 4.220 4.220 4.039 0.181 18216
2080 1 5 . 1 1 49 49 ALA C C 49 179.111 179.111 179.319 -0.208 18216
2081 1 5 . 1 1 49 49 ALA CA C 49 54.902 54.902 55.271 -0.369 18216
2082 1 5 . 1 1 49 49 ALA CB C 49 17.956 17.956 17.634 0.322 18216
2083 1 5 . 1 1 49 49 ALA H H 49 7.890 7.890 7.825 0.065 18216
2084 1 5 . 1 1 50 50 ILE N N 50 122.294 122.294 116.426 5.868 18216
2085 1 5 . 1 1 50 50 ILE HA H 50 3.716 3.716 3.859 -0.143 18216
2086 1 5 . 1 1 50 50 ILE C C 50 175.507 175.507 178.180 -2.673 18216
2087 1 5 . 1 1 50 50 ILE CA C 50 64.908 64.908 63.078 1.830 18216
2088 1 5 . 1 1 50 50 ILE CB C 50 36.664 36.664 36.591 0.073 18216
2089 1 5 . 1 1 50 50 ILE H H 50 8.428 8.428 7.616 0.812 18216
2090 1 5 . 1 1 51 51 GLU N N 51 120.060 120.060 120.236 -0.176 18216
2091 1 5 . 1 1 51 51 GLU HA H 51 4.059 4.059 4.329 -0.270 18216
2092 1 5 . 1 1 51 51 GLU C C 51 178.398 178.398 179.346 -0.948 18216
2093 1 5 . 1 1 51 51 GLU CA C 51 60.419 60.419 59.493 0.926 18216
2094 1 5 . 1 1 51 51 GLU CB C 51 30.212 30.212 30.242 -0.031 18216
2095 1 5 . 1 1 51 51 GLU H H 51 8.281 8.281 8.132 0.149 18216
2096 1 5 . 1 1 52 52 VAL N N 52 117.342 117.342 115.501 1.841 18216
2097 1 5 . 1 1 52 52 VAL HA H 52 3.725 3.725 3.887 -0.162 18216
2098 1 5 . 1 1 52 52 VAL C C 52 176.701 176.701 177.408 -0.707 18216
2099 1 5 . 1 1 52 52 VAL CA C 52 65.682 65.682 65.750 -0.068 18216
2100 1 5 . 1 1 52 52 VAL CB C 52 32.278 32.278 31.539 0.739 18216
2101 1 5 . 1 1 52 52 VAL H H 52 7.714 7.714 7.608 0.106 18216
2102 1 5 . 1 1 53 53 GLU N N 53 120.657 120.657 120.340 0.317 18216
2103 1 5 . 1 1 53 53 GLU HA H 53 3.876 3.876 4.128 -0.252 18216
2104 1 5 . 1 1 53 53 GLU C C 53 175.734 175.734 177.747 -2.013 18216
2105 1 5 . 1 1 53 53 GLU CA C 53 58.823 58.823 58.793 0.030 18216
2106 1 5 . 1 1 53 53 GLU CB C 53 29.817 29.817 29.895 -0.078 18216
2107 1 5 . 1 1 53 53 GLU H H 53 8.191 8.191 8.108 0.083 18216
2108 1 5 . 1 1 54 54 TYR N N 54 111.170 111.170 117.672 -6.502 18216
2109 1 5 . 1 1 54 54 TYR HA H 54 4.483 4.483 4.413 0.070 18216
2110 1 5 . 1 1 54 54 TYR C C 54 174.031 174.031 176.735 -2.704 18216
2111 1 5 . 1 1 54 54 TYR CA C 54 59.478 59.478 59.081 0.397 18216
2112 1 5 . 1 1 54 54 TYR CB C 54 39.373 39.373 39.527 -0.154 18216
2113 1 5 . 1 1 54 54 TYR H H 54 8.106 8.106 7.684 0.422 18216
2114 1 5 . 1 1 55 55 GLY N N 55 112.483 112.483 107.835 4.648 18216
2115 1 5 . 1 1 55 55 GLY C C 55 172.863 172.863 173.995 -1.132 18216
2116 1 5 . 1 1 55 55 GLY CA C 55 47.593 47.593 45.128 2.465 18216
2117 1 5 . 1 1 55 55 GLY H H 55 8.047 8.047 8.124 -0.077 18216
2118 1 5 . 1 1 56 56 ILE N N 56 112.002 112.002 112.851 -0.849 18216
2119 1 5 . 1 1 56 56 ILE HA H 56 4.692 4.692 4.600 0.092 18216
2120 1 5 . 1 1 56 56 ILE C C 56 171.179 171.179 173.232 -2.053 18216
2121 1 5 . 1 1 56 56 ILE CA C 56 58.776 58.776 58.233 0.544 18216
2122 1 5 . 1 1 56 56 ILE CB C 56 42.063 42.063 41.175 0.888 18216
2123 1 5 . 1 1 56 56 ILE H H 56 7.491 7.491 7.620 -0.129 18216
2124 1 5 . 1 1 57 57 ASP N N 57 119.662 119.662 120.500 -0.838 18216
2125 1 5 . 1 1 57 57 ASP HA H 57 4.940 4.940 5.056 -0.116 18216
2126 1 5 . 1 1 57 57 ASP C C 57 174.016 174.016 174.983 -0.967 18216
2127 1 5 . 1 1 57 57 ASP CA C 57 52.946 52.946 53.488 -0.542 18216
2128 1 5 . 1 1 57 57 ASP CB C 57 43.115 43.115 43.609 -0.494 18216
2129 1 5 . 1 1 57 57 ASP H H 57 8.314 8.314 8.452 -0.138 18216
2130 1 5 . 1 1 58 58 ILE N N 58 125.903 125.903 124.052 1.851 18216
2131 1 5 . 1 1 58 58 ILE HA H 58 4.360 4.360 4.492 -0.132 18216
2132 1 5 . 1 1 58 58 ILE C C 58 170.591 170.591 173.895 -3.304 18216
2133 1 5 . 1 1 58 58 ILE CA C 58 59.354 59.354 58.217 1.137 18216
2134 1 5 . 1 1 58 58 ILE CB C 58 37.984 37.984 40.396 -2.412 18216
2135 1 5 . 1 1 58 58 ILE H H 58 9.901 9.901 8.647 1.254 18216
2136 1 5 . 1 1 59 59 PRO HA H 59 4.536 4.536 4.693 -0.157 18216
2137 1 5 . 1 1 59 59 PRO C C 59 175.502 175.502 177.048 -1.546 18216
2138 1 5 . 1 1 59 59 PRO CA C 59 62.523 62.523 62.014 0.509 18216
2139 1 5 . 1 1 59 59 PRO CB C 59 32.790 32.790 32.694 0.096 18216
2140 1 5 . 1 1 60 60 ASP N N 60 122.930 122.930 120.269 2.661 18216
2141 1 5 . 1 1 60 60 ASP HA H 60 4.233 4.233 4.298 -0.065 18216
2142 1 5 . 1 1 60 60 ASP C C 60 175.742 175.742 178.361 -2.619 18216
2143 1 5 . 1 1 60 60 ASP CA C 60 57.966 57.966 57.167 0.799 18216
2144 1 5 . 1 1 60 60 ASP CB C 60 40.410 40.410 40.325 0.085 18216
2145 1 5 . 1 1 60 60 ASP H H 60 8.880 8.880 8.737 0.143 18216
2146 1 5 . 1 1 61 61 ASP N N 61 115.336 115.336 119.252 -3.916 18216
2147 1 5 . 1 1 61 61 ASP HA H 61 4.342 4.342 4.425 -0.083 18216
2148 1 5 . 1 1 61 61 ASP C C 61 176.158 176.158 177.471 -1.313 18216
2149 1 5 . 1 1 61 61 ASP CA C 61 56.199 56.199 56.960 -0.761 18216
2150 1 5 . 1 1 61 61 ASP CB C 61 39.990 39.990 40.708 -0.718 18216
2151 1 5 . 1 1 61 61 ASP H H 61 8.736 8.736 8.525 0.211 18216
2152 1 5 . 1 1 62 62 GLU N N 62 118.044 118.044 116.346 1.698 18216
2153 1 5 . 1 1 62 62 GLU HA H 62 4.237 4.237 4.343 -0.106 18216
2154 1 5 . 1 1 62 62 GLU C C 62 177.114 177.114 177.044 0.070 18216
2155 1 5 . 1 1 62 62 GLU CA C 62 57.354 57.354 54.862 2.492 18216
2156 1 5 . 1 1 62 62 GLU CB C 62 29.151 29.151 28.671 0.480 18216
2157 1 5 . 1 1 62 62 GLU H H 62 7.419 7.419 7.978 -0.559 18216
2158 1 5 . 1 1 63 63 ALA N N 63 123.014 123.014 123.622 -0.608 18216
2159 1 5 . 1 1 63 63 ALA HA H 63 3.708 3.708 4.120 -0.412 18216
2160 1 5 . 1 1 63 63 ALA C C 63 177.936 177.936 178.104 -0.168 18216
2161 1 5 . 1 1 63 63 ALA CA C 63 55.400 55.400 54.782 0.618 18216
2162 1 5 . 1 1 63 63 ALA CB C 63 18.245 18.245 18.608 -0.363 18216
2163 1 5 . 1 1 63 63 ALA H H 63 8.338 8.338 7.268 1.070 18216
2164 1 5 . 1 1 64 64 THR N N 64 107.396 107.396 106.220 1.176 18216
2165 1 5 . 1 1 64 64 THR HA H 64 4.038 4.038 4.353 -0.315 18216
2166 1 5 . 1 1 64 64 THR C C 64 173.058 173.058 175.941 -2.883 18216
2167 1 5 . 1 1 64 64 THR CA C 64 64.120 64.120 62.583 1.537 18216
2168 1 5 . 1 1 64 64 THR CB C 64 69.241 69.241 69.115 0.126 18216
2169 1 5 . 1 1 64 64 THR H H 64 7.534 7.534 7.800 -0.266 18216
2170 1 5 . 1 1 65 65 LYS N N 65 118.248 118.248 120.483 -2.235 18216
2171 1 5 . 1 1 65 65 LYS HA H 65 4.233 4.233 4.146 0.087 18216
2172 1 5 . 1 1 65 65 LYS C C 65 174.655 174.655 175.623 -0.968 18216
2173 1 5 . 1 1 65 65 LYS CA C 65 56.591 56.591 57.742 -1.151 18216
2174 1 5 . 1 1 65 65 LYS CB C 65 33.090 33.090 32.613 0.477 18216
2175 1 5 . 1 1 65 65 LYS H H 65 7.201 7.201 7.891 -0.690 18216
2176 1 5 . 1 1 66 66 ILE N N 66 121.918 121.918 112.350 9.568 18216
2177 1 5 . 1 1 66 66 ILE HA H 66 3.872 3.872 4.518 -0.646 18216
2178 1 5 . 1 1 66 66 ILE C C 66 172.490 172.490 174.968 -2.478 18216
2179 1 5 . 1 1 66 66 ILE CA C 66 62.250 62.250 59.364 2.886 18216
2180 1 5 . 1 1 66 66 ILE CB C 66 37.132 37.132 37.898 -0.766 18216
2181 1 5 . 1 1 66 66 ILE H H 66 7.323 7.323 7.213 0.110 18216
2182 1 5 . 1 1 67 67 LYS N N 67 126.438 126.438 120.396 6.042 18216
2183 1 5 . 1 1 67 67 LYS HA H 67 4.787 4.787 4.282 0.505 18216
2184 1 5 . 1 1 67 67 LYS C C 67 176.156 176.156 176.910 -0.754 18216
2185 1 5 . 1 1 67 67 LYS CA C 67 56.078 56.078 58.278 -2.200 18216
2186 1 5 . 1 1 67 67 LYS CB C 67 35.435 35.435 32.874 2.561 18216
2187 1 5 . 1 1 67 67 LYS H H 67 9.625 9.625 8.075 1.550 18216
2188 1 5 . 1 1 68 68 THR N N 68 111.201 111.201 110.946 0.255 18216
2189 1 5 . 1 1 68 68 THR HA H 68 5.041 5.041 4.467 0.574 18216
2190 1 5 . 1 1 68 68 THR C C 68 173.425 173.425 175.420 -1.995 18216
2191 1 5 . 1 1 68 68 THR CA C 68 58.436 58.436 61.218 -2.782 18216
2192 1 5 . 1 1 68 68 THR CB C 68 73.683 73.683 70.878 2.805 18216
2193 1 5 . 1 1 68 68 THR H H 68 8.308 8.308 7.655 0.653 18216
2194 1 5 . 1 1 69 69 VAL N N 69 120.740 120.740 123.429 -2.689 18216
2195 1 5 . 1 1 69 69 VAL HA H 69 3.456 3.456 3.701 -0.245 18216
2196 1 5 . 1 1 69 69 VAL C C 69 176.481 176.481 177.693 -1.212 18216
2197 1 5 . 1 1 69 69 VAL CA C 69 67.506 67.506 66.955 0.551 18216
2198 1 5 . 1 1 69 69 VAL CB C 69 31.255 31.255 31.326 -0.071 18216
2199 1 5 . 1 1 69 69 VAL H H 69 7.685 7.685 8.519 -0.834 18216
2200 1 5 . 1 1 70 70 SER N N 70 114.441 114.441 114.006 0.435 18216
2201 1 5 . 1 1 70 70 SER HA H 70 4.094 4.094 4.292 -0.198 18216
2202 1 5 . 1 1 70 70 SER C C 70 174.461 174.461 176.136 -1.675 18216
2203 1 5 . 1 1 70 70 SER CA C 70 61.222 61.222 61.556 -0.334 18216
2204 1 5 . 1 1 70 70 SER CB C 70 62.761 62.761 63.064 -0.303 18216
2205 1 5 . 1 1 70 70 SER H H 70 8.866 8.866 8.115 0.751 18216
2206 1 5 . 1 1 71 71 ASP N N 71 121.065 121.065 122.905 -1.840 18216
2207 1 5 . 1 1 71 71 ASP HA H 71 4.434 4.434 4.651 -0.217 18216
2208 1 5 . 1 1 71 71 ASP C C 71 177.272 177.272 178.458 -1.186 18216
2209 1 5 . 1 1 71 71 ASP CA C 71 57.801 57.801 56.467 1.334 18216
2210 1 5 . 1 1 71 71 ASP CB C 71 41.976 41.976 40.803 1.173 18216
2211 1 5 . 1 1 71 71 ASP H H 71 8.094 8.094 7.776 0.318 18216
2212 1 5 . 1 1 72 72 VAL N N 72 120.351 120.351 121.418 -1.067 18216
2213 1 5 . 1 1 72 72 VAL HA H 72 3.706 3.706 3.590 0.116 18216
2214 1 5 . 1 1 72 72 VAL C C 72 174.409 174.409 177.449 -3.040 18216
2215 1 5 . 1 1 72 72 VAL CA C 72 66.232 66.232 67.003 -0.771 18216
2216 1 5 . 1 1 72 72 VAL CB C 72 31.733 31.733 31.907 -0.174 18216
2217 1 5 . 1 1 72 72 VAL H H 72 7.714 7.714 8.438 -0.724 18216
2218 1 5 . 1 1 73 73 ILE N N 73 120.114 120.114 116.684 3.430 18216
2219 1 5 . 1 1 73 73 ILE HA H 73 3.365 3.365 3.785 -0.420 18216
2220 1 5 . 1 1 73 73 ILE C C 73 175.111 175.111 178.427 -3.316 18216
2221 1 5 . 1 1 73 73 ILE CA C 73 66.114 66.114 63.233 2.881 18216
2222 1 5 . 1 1 73 73 ILE CB C 73 38.264 38.264 36.289 1.975 18216
2223 1 5 . 1 1 73 73 ILE H H 73 7.710 7.710 7.580 0.130 18216
2224 1 5 . 1 1 74 74 LYS N N 74 118.158 118.158 121.243 -3.085 18216
2225 1 5 . 1 1 74 74 LYS HA H 74 3.863 3.863 4.040 -0.177 18216
2226 1 5 . 1 1 74 74 LYS C C 74 175.814 175.814 178.757 -2.943 18216
2227 1 5 . 1 1 74 74 LYS CA C 74 59.868 59.868 59.319 0.549 18216
2228 1 5 . 1 1 74 74 LYS CB C 74 32.727 32.727 32.399 0.328 18216
2229 1 5 . 1 1 74 74 LYS H H 74 8.422 8.422 7.528 0.894 18216
2230 1 5 . 1 1 75 75 TYR N N 75 119.834 119.834 120.453 -0.619 18216
2231 1 5 . 1 1 75 75 TYR HA H 75 3.959 3.959 4.325 -0.366 18216
2232 1 5 . 1 1 75 75 TYR C C 75 176.122 176.122 177.961 -1.839 18216
2233 1 5 . 1 1 75 75 TYR CA C 75 62.025 62.025 61.390 0.635 18216
2234 1 5 . 1 1 75 75 TYR CB C 75 38.891 38.891 39.517 -0.627 18216
2235 1 5 . 1 1 75 75 TYR H H 75 7.701 7.701 8.100 -0.399 18216
2236 1 5 . 1 1 76 76 ILE N N 76 117.609 117.609 118.732 -1.123 18216
2237 1 5 . 1 1 76 76 ILE HA H 76 3.255 3.255 3.348 -0.093 18216
2238 1 5 . 1 1 76 76 ILE C C 76 176.730 176.730 177.415 -0.685 18216
2239 1 5 . 1 1 76 76 ILE CA C 76 65.383 65.383 65.268 0.115 18216
2240 1 5 . 1 1 76 76 ILE CB C 76 38.797 38.797 37.262 1.535 18216
2241 1 5 . 1 1 76 76 ILE H H 76 8.032 8.032 8.636 -0.604 18216
2242 1 5 . 1 1 77 77 LYS N N 77 117.750 117.750 120.323 -2.573 18216
2243 1 5 . 1 1 77 77 LYS HA H 77 3.804 3.804 3.853 -0.049 18216
2244 1 5 . 1 1 77 77 LYS C C 77 177.793 177.793 179.245 -1.452 18216
2245 1 5 . 1 1 77 77 LYS CA C 77 60.288 60.288 59.809 0.479 18216
2246 1 5 . 1 1 77 77 LYS CB C 77 32.504 32.504 31.869 0.635 18216
2247 1 5 . 1 1 77 77 LYS H H 77 8.353 8.353 7.504 0.849 18216
2248 1 5 . 1 1 78 78 GLU N N 78 117.517 117.517 117.216 0.301 18216
2249 1 5 . 1 1 78 78 GLU HA H 78 4.048 4.048 4.037 0.011 18216
2250 1 5 . 1 1 78 78 GLU C C 78 175.974 175.974 177.824 -1.850 18216
2251 1 5 . 1 1 78 78 GLU CA C 78 58.352 58.352 58.053 0.299 18216
2252 1 5 . 1 1 78 78 GLU CB C 78 29.598 29.598 28.851 0.747 18216
2253 1 5 . 1 1 78 78 GLU H H 78 8.057 8.057 7.959 0.098 18216
2254 1 5 . 1 1 79 79 ARG N N 79 117.613 117.613 117.678 -0.065 18216
2255 1 5 . 1 1 79 79 ARG HA H 79 4.271 4.271 3.980 0.291 18216
2256 1 5 . 1 1 79 79 ARG C C 79 174.583 174.583 176.738 -2.155 18216
2257 1 5 . 1 1 79 79 ARG CA C 79 55.965 55.965 56.332 -0.367 18216
2258 1 5 . 1 1 79 79 ARG CB C 79 30.171 30.171 30.291 -0.120 18216
2259 1 5 . 1 1 79 79 ARG H H 79 7.544 7.544 7.340 0.204 18216
2260 1 5 . 1 1 80 80 GLN N N 80 119.495 119.495 119.282 0.213 18216
2261 1 5 . 1 1 80 80 GLN HA H 80 4.400 4.400 4.202 0.198 18216
2262 1 5 . 1 1 80 80 GLN C C 80 173.178 173.178 175.516 -2.338 18216
2263 1 5 . 1 1 80 80 GLN CA C 80 56.114 56.114 55.867 0.247 18216
2264 1 5 . 1 1 80 80 GLN CB C 80 29.391 29.391 28.773 0.618 18216
2265 1 5 . 1 1 80 80 GLN H H 80 7.675 7.675 7.672 0.003 18216
2266 1 6 . 1 1 4 4 THR HA H 4 4.199 4.199 4.266 -0.067 18216
2267 1 6 . 1 1 4 4 THR C C 4 172.396 172.396 173.692 -1.296 18216
2268 1 6 . 1 1 4 4 THR CA C 4 62.877 62.877 63.502 -0.625 18216
2269 1 6 . 1 1 4 4 THR CB C 4 69.501 69.501 68.795 0.706 18216
2270 1 6 . 1 1 5 5 ASP N N 5 123.982 123.982 125.246 -1.264 18216
2271 1 6 . 1 1 5 5 ASP HA H 5 4.560 4.560 4.729 -0.169 18216
2272 1 6 . 1 1 5 5 ASP C C 5 174.716 174.716 177.549 -2.833 18216
2273 1 6 . 1 1 5 5 ASP CA C 5 54.733 54.733 55.600 -0.867 18216
2274 1 6 . 1 1 5 5 ASP CB C 5 41.451 41.451 42.395 -0.944 18216
2275 1 6 . 1 1 5 5 ASP H H 5 8.457 8.457 8.007 0.450 18216
2276 1 6 . 1 1 6 6 LYS N N 6 122.949 122.949 121.388 1.561 18216
2277 1 6 . 1 1 6 6 LYS HA H 6 4.141 4.141 4.041 0.100 18216
2278 1 6 . 1 1 6 6 LYS C C 6 177.076 177.076 178.165 -1.089 18216
2279 1 6 . 1 1 6 6 LYS CA C 6 58.725 58.725 58.729 -0.004 18216
2280 1 6 . 1 1 6 6 LYS CB C 6 32.481 32.481 32.284 0.197 18216
2281 1 6 . 1 1 6 6 LYS H H 6 8.421 8.421 8.402 0.019 18216
2282 1 6 . 1 1 7 7 ILE N N 7 121.024 121.024 117.889 3.135 18216
2283 1 6 . 1 1 7 7 ILE HA H 7 4.036 4.036 3.836 0.200 18216
2284 1 6 . 1 1 7 7 ILE C C 7 174.780 174.780 177.833 -3.053 18216
2285 1 6 . 1 1 7 7 ILE CA C 7 64.418 64.418 64.464 -0.046 18216
2286 1 6 . 1 1 7 7 ILE CB C 7 37.541 37.541 37.696 -0.155 18216
2287 1 6 . 1 1 7 7 ILE H H 7 8.055 8.055 8.122 -0.067 18216
2288 1 6 . 1 1 8 8 GLU N N 8 119.901 119.901 118.435 1.466 18216
2289 1 6 . 1 1 8 8 GLU HA H 8 3.620 3.620 3.982 -0.362 18216
2290 1 6 . 1 1 8 8 GLU C C 8 175.403 175.403 177.671 -2.268 18216
2291 1 6 . 1 1 8 8 GLU CA C 8 60.226 60.226 59.012 1.214 18216
2292 1 6 . 1 1 8 8 GLU CB C 8 29.793 29.793 29.583 0.210 18216
2293 1 6 . 1 1 8 8 GLU H H 8 8.178 8.178 7.977 0.201 18216
2294 1 6 . 1 1 9 9 GLN N N 9 114.019 114.019 116.837 -2.818 18216
2295 1 6 . 1 1 9 9 GLN HA H 9 3.887 3.887 4.386 -0.499 18216
2296 1 6 . 1 1 9 9 GLN C C 9 176.383 176.383 177.985 -1.602 18216
2297 1 6 . 1 1 9 9 GLN CA C 9 59.031 59.031 57.316 1.715 18216
2298 1 6 . 1 1 9 9 GLN CB C 9 28.829 28.829 29.616 -0.787 18216
2299 1 6 . 1 1 9 9 GLN H H 9 7.923 7.923 7.549 0.374 18216
2300 1 6 . 1 1 10 10 LYS N N 10 119.999 119.999 122.079 -2.080 18216
2301 1 6 . 1 1 10 10 LYS HA H 10 4.182 4.182 4.088 0.094 18216
2302 1 6 . 1 1 10 10 LYS C C 10 176.671 176.671 178.550 -1.879 18216
2303 1 6 . 1 1 10 10 LYS CA C 10 58.067 58.067 58.985 -0.918 18216
2304 1 6 . 1 1 10 10 LYS CB C 10 31.522 31.522 32.396 -0.874 18216
2305 1 6 . 1 1 10 10 LYS H H 10 7.783 7.783 8.223 -0.440 18216
2306 1 6 . 1 1 11 11 VAL N N 11 119.291 119.291 121.677 -2.386 18216
2307 1 6 . 1 1 11 11 VAL HA H 11 3.602 3.602 3.846 -0.244 18216
2308 1 6 . 1 1 11 11 VAL C C 11 176.092 176.092 176.992 -0.900 18216
2309 1 6 . 1 1 11 11 VAL CA C 11 67.715 67.715 65.323 2.392 18216
2310 1 6 . 1 1 11 11 VAL CB C 11 30.791 30.791 31.247 -0.456 18216
2311 1 6 . 1 1 11 11 VAL H H 11 8.928 8.928 7.694 1.234 18216
2312 1 6 . 1 1 12 12 ILE N N 12 119.163 119.163 119.624 -0.461 18216
2313 1 6 . 1 1 12 12 ILE HA H 12 3.413 3.413 3.749 -0.336 18216
2314 1 6 . 1 1 12 12 ILE C C 12 175.417 175.417 177.320 -1.903 18216
2315 1 6 . 1 1 12 12 ILE CA C 12 68.032 68.032 64.944 3.088 18216
2316 1 6 . 1 1 12 12 ILE CB C 12 37.135 37.135 37.713 -0.578 18216
2317 1 6 . 1 1 12 12 ILE H H 12 8.255 8.255 7.524 0.731 18216
2318 1 6 . 1 1 13 13 GLU N N 13 118.515 118.515 119.071 -0.556 18216
2319 1 6 . 1 1 13 13 GLU HA H 13 3.868 3.868 4.104 -0.236 18216
2320 1 6 . 1 1 13 13 GLU C C 13 177.514 177.514 177.919 -0.405 18216
2321 1 6 . 1 1 13 13 GLU CA C 13 60.145 60.145 58.497 1.648 18216
2322 1 6 . 1 1 13 13 GLU CB C 13 29.487 29.487 29.325 0.163 18216
2323 1 6 . 1 1 13 13 GLU H H 13 7.821 7.821 7.953 -0.132 18216
2324 1 6 . 1 1 14 14 MET N N 14 120.174 120.174 118.853 1.321 18216
2325 1 6 . 1 1 14 14 MET HA H 14 4.168 4.168 4.196 -0.028 18216
2326 1 6 . 1 1 14 14 MET C C 14 176.631 176.631 177.766 -1.135 18216
2327 1 6 . 1 1 14 14 MET CA C 14 59.409 59.409 58.188 1.222 18216
2328 1 6 . 1 1 14 14 MET CB C 14 33.931 33.931 33.058 0.873 18216
2329 1 6 . 1 1 14 14 MET H H 14 8.610 8.610 7.497 1.113 18216
2330 1 6 . 1 1 15 15 VAL N N 15 120.579 120.579 118.647 1.932 18216
2331 1 6 . 1 1 15 15 VAL HA H 15 3.441 3.441 3.651 -0.210 18216
2332 1 6 . 1 1 15 15 VAL C C 15 175.086 175.086 177.840 -2.754 18216
2333 1 6 . 1 1 15 15 VAL CA C 15 67.096 67.096 65.876 1.220 18216
2334 1 6 . 1 1 15 15 VAL CB C 15 31.481 31.481 30.622 0.859 18216
2335 1 6 . 1 1 15 15 VAL H H 15 8.975 8.975 8.313 0.662 18216
2336 1 6 . 1 1 16 16 ALA N N 16 121.102 121.102 120.920 0.182 18216
2337 1 6 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.509 -0.731 18216
2338 1 6 . 1 1 16 16 ALA C C 16 178.027 178.027 178.637 -0.610 18216
2339 1 6 . 1 1 16 16 ALA CA C 16 55.944 55.944 54.337 1.607 18216
2340 1 6 . 1 1 16 16 ALA CB C 16 18.234 18.234 18.701 -0.467 18216
2341 1 6 . 1 1 16 16 ALA H H 16 8.387 8.387 7.555 0.832 18216
2342 1 6 . 1 1 17 17 GLU N N 17 115.683 115.683 117.166 -1.483 18216
2343 1 6 . 1 1 17 17 GLU HA H 17 4.102 4.102 4.351 -0.249 18216
2344 1 6 . 1 1 17 17 GLU C C 17 177.810 177.810 177.688 0.122 18216
2345 1 6 . 1 1 17 17 GLU CA C 17 59.241 59.241 57.044 2.197 18216
2346 1 6 . 1 1 17 17 GLU CB C 17 30.175 30.175 30.049 0.126 18216
2347 1 6 . 1 1 17 17 GLU H H 17 8.043 8.043 7.968 0.075 18216
2348 1 6 . 1 1 18 18 LYS N N 18 116.582 116.582 118.698 -2.116 18216
2349 1 6 . 1 1 18 18 LYS HA H 18 4.186 4.186 4.083 0.103 18216
2350 1 6 . 1 1 18 18 LYS C C 18 175.949 175.949 176.608 -0.659 18216
2351 1 6 . 1 1 18 18 LYS CA C 18 57.029 57.029 58.597 -1.568 18216
2352 1 6 . 1 1 18 18 LYS CB C 18 31.479 31.479 33.091 -1.612 18216
2353 1 6 . 1 1 18 18 LYS H H 18 8.669 8.669 7.949 0.720 18216
2354 1 6 . 1 1 19 19 LEU N N 19 113.633 113.633 118.481 -4.848 18216
2355 1 6 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.227 0.264 18216
2356 1 6 . 1 1 19 19 LEU C C 19 174.261 174.261 175.218 -0.957 18216
2357 1 6 . 1 1 19 19 LEU CA C 19 54.230 54.230 53.134 1.096 18216
2358 1 6 . 1 1 19 19 LEU CB C 19 40.477 40.477 40.959 -0.482 18216
2359 1 6 . 1 1 19 19 LEU H H 19 8.226 8.226 7.227 0.999 18216
2360 1 6 . 1 1 20 20 ASN N N 20 117.866 117.866 117.906 -0.040 18216
2361 1 6 . 1 1 20 20 ASN HA H 20 4.416 4.416 4.452 -0.036 18216
2362 1 6 . 1 1 20 20 ASN C C 20 172.278 172.278 174.097 -1.819 18216
2363 1 6 . 1 1 20 20 ASN CA C 20 54.058 54.058 54.159 -0.101 18216
2364 1 6 . 1 1 20 20 ASN CB C 20 36.788 36.788 37.395 -0.607 18216
2365 1 6 . 1 1 20 20 ASN H H 20 7.616 7.616 8.127 -0.511 18216
2366 1 6 . 1 1 21 21 LYS N N 21 117.035 117.035 119.969 -2.934 18216
2367 1 6 . 1 1 21 21 LYS HA H 21 4.717 4.717 4.369 0.348 18216
2368 1 6 . 1 1 21 21 LYS C C 21 173.009 173.009 175.860 -2.851 18216
2369 1 6 . 1 1 21 21 LYS CA C 21 52.589 52.589 55.158 -2.570 18216
2370 1 6 . 1 1 21 21 LYS CB C 21 36.114 36.114 33.711 2.403 18216
2371 1 6 . 1 1 21 21 LYS H H 21 8.473 8.473 7.364 1.109 18216
2372 1 6 . 1 1 22 22 ASP N N 22 120.954 120.954 126.603 -5.649 18216
2373 1 6 . 1 1 22 22 ASP HA H 22 4.422 4.422 4.487 -0.065 18216
2374 1 6 . 1 1 22 22 ASP C C 22 175.257 175.257 177.565 -2.308 18216
2375 1 6 . 1 1 22 22 ASP CA C 22 54.220 54.220 54.970 -0.750 18216
2376 1 6 . 1 1 22 22 ASP CB C 22 41.895 41.895 42.723 -0.828 18216
2377 1 6 . 1 1 22 22 ASP H H 22 8.261 8.261 8.837 -0.576 18216
2378 1 6 . 1 1 23 23 LYS N N 23 125.865 125.865 121.648 4.217 18216
2379 1 6 . 1 1 23 23 LYS HA H 23 3.742 3.742 4.020 -0.278 18216
2380 1 6 . 1 1 23 23 LYS C C 23 175.599 175.599 176.713 -1.114 18216
2381 1 6 . 1 1 23 23 LYS CA C 23 59.607 59.607 58.373 1.234 18216
2382 1 6 . 1 1 23 23 LYS CB C 23 32.184 32.184 31.903 0.281 18216
2383 1 6 . 1 1 23 23 LYS H H 23 8.697 8.697 8.582 0.115 18216
2384 1 6 . 1 1 24 24 ALA N N 24 118.731 118.731 120.986 -2.255 18216
2385 1 6 . 1 1 24 24 ALA HA H 24 4.110 4.110 4.245 -0.135 18216
2386 1 6 . 1 1 24 24 ALA C C 24 177.449 177.449 178.140 -0.691 18216
2387 1 6 . 1 1 24 24 ALA CA C 24 54.192 54.192 53.509 0.683 18216
2388 1 6 . 1 1 24 24 ALA CB C 24 19.018 19.018 19.209 -0.191 18216
2389 1 6 . 1 1 24 24 ALA H H 24 8.509 8.509 7.666 0.843 18216
2390 1 6 . 1 1 25 25 ILE N N 25 110.020 110.020 116.008 -5.988 18216
2391 1 6 . 1 1 25 25 ILE HA H 25 4.406 4.406 4.209 0.197 18216
2392 1 6 . 1 1 25 25 ILE C C 25 173.524 173.524 175.794 -2.270 18216
2393 1 6 . 1 1 25 25 ILE CA C 25 60.373 60.373 61.440 -1.067 18216
2394 1 6 . 1 1 25 25 ILE CB C 25 38.423 38.423 39.879 -1.456 18216
2395 1 6 . 1 1 25 25 ILE H H 25 7.562 7.562 7.844 -0.282 18216
2396 1 6 . 1 1 26 26 ILE N N 26 122.932 122.932 122.431 0.501 18216
2397 1 6 . 1 1 26 26 ILE HA H 26 3.961 3.961 3.935 0.026 18216
2398 1 6 . 1 1 26 26 ILE C C 26 172.610 172.610 175.701 -3.091 18216
2399 1 6 . 1 1 26 26 ILE CA C 26 61.520 61.520 61.895 -0.374 18216
2400 1 6 . 1 1 26 26 ILE CB C 26 37.367 37.367 35.187 2.180 18216
2401 1 6 . 1 1 26 26 ILE H H 26 7.377 7.377 7.547 -0.170 18216
2402 1 6 . 1 1 27 27 THR N N 27 116.747 116.747 117.731 -0.984 18216
2403 1 6 . 1 1 27 27 THR HA H 27 4.857 4.857 4.806 0.051 18216
2404 1 6 . 1 1 27 27 THR C C 27 174.186 174.186 176.085 -1.899 18216
2405 1 6 . 1 1 27 27 THR CA C 27 58.917 58.917 59.781 -0.863 18216
2406 1 6 . 1 1 27 27 THR CB C 27 72.257 72.257 72.184 0.073 18216
2407 1 6 . 1 1 27 27 THR H H 27 8.549 8.549 8.212 0.337 18216
2408 1 6 . 1 1 28 28 THR N N 28 110.578 110.578 113.611 -3.033 18216
2409 1 6 . 1 1 28 28 THR HA H 28 3.743 3.743 3.991 -0.248 18216
2410 1 6 . 1 1 28 28 THR C C 28 172.642 172.642 174.933 -2.291 18216
2411 1 6 . 1 1 28 28 THR CA C 28 65.306 65.306 64.950 0.356 18216
2412 1 6 . 1 1 28 28 THR CB C 28 67.621 67.621 68.827 -1.206 18216
2413 1 6 . 1 1 28 28 THR H H 28 8.817 8.817 8.861 -0.044 18216
2414 1 6 . 1 1 29 29 ASP N N 29 117.036 117.036 119.023 -1.987 18216
2415 1 6 . 1 1 29 29 ASP HA H 29 4.719 4.719 4.775 -0.056 18216
2416 1 6 . 1 1 29 29 ASP C C 29 174.246 174.246 175.336 -1.090 18216
2417 1 6 . 1 1 29 29 ASP CA C 29 54.208 54.208 53.150 1.058 18216
2418 1 6 . 1 1 29 29 ASP CB C 29 41.567 41.567 40.759 0.808 18216
2419 1 6 . 1 1 29 29 ASP H H 29 7.777 7.777 8.107 -0.330 18216
2420 1 6 . 1 1 30 30 SER N N 30 117.171 117.171 117.065 0.106 18216
2421 1 6 . 1 1 30 30 SER HA H 30 4.063 4.063 4.217 -0.154 18216
2422 1 6 . 1 1 30 30 SER C C 30 171.138 171.138 174.543 -3.405 18216
2423 1 6 . 1 1 30 30 SER CA C 30 61.581 61.581 60.136 1.446 18216
2424 1 6 . 1 1 30 30 SER CB C 30 63.349 63.349 63.358 -0.009 18216
2425 1 6 . 1 1 30 30 SER H H 30 7.619 7.619 7.888 -0.269 18216
2426 1 6 . 1 1 31 31 ARG N N 31 124.648 124.648 127.047 -2.399 18216
2427 1 6 . 1 1 31 31 ARG HA H 31 4.644 4.644 4.264 0.380 18216
2428 1 6 . 1 1 31 31 ARG C C 31 176.660 176.660 176.938 -0.278 18216
2429 1 6 . 1 1 31 31 ARG CA C 31 54.323 54.323 54.361 -0.038 18216
2430 1 6 . 1 1 31 31 ARG CB C 31 30.539 30.539 29.508 1.031 18216
2431 1 6 . 1 1 31 31 ARG H H 31 10.379 10.379 8.317 2.062 18216
2432 1 6 . 1 1 32 32 PHE N N 32 124.068 124.068 118.561 5.507 18216
2433 1 6 . 1 1 32 32 PHE HA H 32 3.964 3.964 4.186 -0.222 18216
2434 1 6 . 1 1 32 32 PHE C C 32 173.376 173.376 177.385 -4.009 18216
2435 1 6 . 1 1 32 32 PHE CA C 32 62.578 62.578 60.091 2.487 18216
2436 1 6 . 1 1 32 32 PHE CB C 32 38.147 38.147 37.877 0.270 18216
2437 1 6 . 1 1 32 32 PHE H H 32 7.833 7.833 7.106 0.727 18216
2438 1 6 . 1 1 33 33 ILE N N 33 116.395 116.395 119.938 -3.543 18216
2439 1 6 . 1 1 33 33 ILE HA H 33 4.044 4.044 3.815 0.229 18216
2440 1 6 . 1 1 33 33 ILE C C 33 178.005 178.005 177.265 0.740 18216
2441 1 6 . 1 1 33 33 ILE CA C 33 64.293 64.293 63.829 0.464 18216
2442 1 6 . 1 1 33 33 ILE CB C 33 36.905 36.905 37.850 -0.945 18216
2443 1 6 . 1 1 33 33 ILE H H 33 8.696 8.696 7.665 1.031 18216
2444 1 6 . 1 1 34 34 GLU N N 34 117.346 117.346 119.135 -1.789 18216
2445 1 6 . 1 1 34 34 GLU HA H 34 3.859 3.859 4.114 -0.255 18216
2446 1 6 . 1 1 34 34 GLU C C 34 175.723 175.723 177.661 -1.938 18216
2447 1 6 . 1 1 34 34 GLU CA C 34 62.485 62.485 58.619 3.866 18216
2448 1 6 . 1 1 34 34 GLU CB C 34 29.032 29.032 29.722 -0.690 18216
2449 1 6 . 1 1 34 34 GLU H H 34 9.408 9.408 7.774 1.634 18216
2450 1 6 . 1 1 35 35 ASP N N 35 112.053 112.053 119.338 -7.285 18216
2451 1 6 . 1 1 35 35 ASP HA H 35 5.026 5.026 4.459 0.567 18216
2452 1 6 . 1 1 35 35 ASP C C 35 175.237 175.237 177.869 -2.632 18216
2453 1 6 . 1 1 35 35 ASP CA C 35 55.996 55.996 56.553 -0.557 18216
2454 1 6 . 1 1 35 35 ASP CB C 35 41.508 41.508 40.949 0.559 18216
2455 1 6 . 1 1 35 35 ASP H H 35 7.527 7.527 8.278 -0.751 18216
2456 1 6 . 1 1 36 36 LEU N N 36 115.898 115.898 118.286 -2.388 18216
2457 1 6 . 1 1 36 36 LEU HA H 36 4.274 4.274 4.363 -0.089 18216
2458 1 6 . 1 1 36 36 LEU C C 36 172.955 172.955 176.316 -3.361 18216
2459 1 6 . 1 1 36 36 LEU CA C 36 54.739 54.739 55.139 -0.400 18216
2460 1 6 . 1 1 36 36 LEU CB C 36 40.891 40.891 42.607 -1.716 18216
2461 1 6 . 1 1 36 36 LEU H H 36 7.648 7.648 7.785 -0.137 18216
2462 1 6 . 1 1 37 37 LYS N N 37 114.307 114.307 116.401 -2.094 18216
2463 1 6 . 1 1 37 37 LYS HA H 37 4.207 4.207 4.098 0.109 18216
2464 1 6 . 1 1 37 37 LYS C C 37 174.539 174.539 175.295 -0.756 18216
2465 1 6 . 1 1 37 37 LYS CA C 37 55.942 55.942 56.807 -0.865 18216
2466 1 6 . 1 1 37 37 LYS CB C 37 28.513 28.513 29.118 -0.605 18216
2467 1 6 . 1 1 37 37 LYS H H 37 7.247 7.247 7.466 -0.219 18216
2468 1 6 . 1 1 38 38 ALA N N 38 121.453 121.453 121.666 -0.213 18216
2469 1 6 . 1 1 38 38 ALA HA H 38 4.392 4.392 4.164 0.228 18216
2470 1 6 . 1 1 38 38 ALA C C 38 175.605 175.605 177.605 -2.000 18216
2471 1 6 . 1 1 38 38 ALA CA C 38 52.008 52.008 52.842 -0.834 18216
2472 1 6 . 1 1 38 38 ALA CB C 38 20.568 20.568 19.846 0.722 18216
2473 1 6 . 1 1 38 38 ALA H H 38 8.442 8.442 7.548 0.894 18216
2474 1 6 . 1 1 39 39 ASP N N 39 123.391 123.391 123.949 -0.558 18216
2475 1 6 . 1 1 39 39 ASP HA H 39 4.782 4.782 4.511 0.271 18216
2476 1 6 . 1 1 39 39 ASP C C 39 175.798 175.798 177.219 -1.421 18216
2477 1 6 . 1 1 39 39 ASP CA C 39 52.823 52.823 54.395 -1.572 18216
2478 1 6 . 1 1 39 39 ASP CB C 39 42.613 42.613 41.521 1.092 18216
2479 1 6 . 1 1 39 39 ASP H H 39 9.038 9.038 8.494 0.544 18216
2480 1 6 . 1 1 40 40 SER N N 40 116.961 116.961 113.655 3.306 18216
2481 1 6 . 1 1 40 40 SER HA H 40 4.226 4.226 4.444 -0.218 18216
2482 1 6 . 1 1 40 40 SER C C 40 174.197 174.197 176.452 -2.255 18216
2483 1 6 . 1 1 40 40 SER CA C 40 60.234 60.234 60.349 -0.115 18216
2484 1 6 . 1 1 40 40 SER CB C 40 65.619 65.619 63.547 2.072 18216
2485 1 6 . 1 1 40 40 SER H H 40 8.936 8.936 8.448 0.488 18216
2486 1 6 . 1 1 41 41 LEU N N 41 124.152 124.152 118.185 5.967 18216
2487 1 6 . 1 1 41 41 LEU HA H 41 4.187 4.187 4.566 -0.379 18216
2488 1 6 . 1 1 41 41 LEU C C 41 175.316 175.316 177.036 -1.720 18216
2489 1 6 . 1 1 41 41 LEU CA C 41 57.873 57.873 57.339 0.534 18216
2490 1 6 . 1 1 41 41 LEU CB C 41 41.085 41.085 41.276 -0.191 18216
2491 1 6 . 1 1 41 41 LEU H H 41 8.279 8.279 7.912 0.367 18216
2492 1 6 . 1 1 42 42 ASP N N 42 120.193 120.193 118.138 2.055 18216
2493 1 6 . 1 1 42 42 ASP HA H 42 4.415 4.415 4.579 -0.164 18216
2494 1 6 . 1 1 42 42 ASP C C 42 176.858 176.858 178.184 -1.326 18216
2495 1 6 . 1 1 42 42 ASP CA C 42 57.144 57.144 56.652 0.492 18216
2496 1 6 . 1 1 42 42 ASP CB C 42 40.895 40.895 40.761 0.134 18216
2497 1 6 . 1 1 42 42 ASP H H 42 8.002 8.002 8.550 -0.548 18216
2498 1 6 . 1 1 43 43 THR N N 43 112.919 112.919 114.509 -1.590 18216
2499 1 6 . 1 1 43 43 THR HA H 43 3.554 3.554 3.960 -0.406 18216
2500 1 6 . 1 1 43 43 THR CA C 43 66.658 66.658 65.781 0.877 18216
2501 1 6 . 1 1 43 43 THR CB C 43 68.423 68.423 68.636 -0.213 18216
2502 1 6 . 1 1 43 43 THR H H 43 7.939 7.939 7.589 0.350 18216
2503 1 6 . 1 1 44 44 VAL HA H 44 3.645 3.645 3.725 -0.080 18216
2504 1 6 . 1 1 44 44 VAL C C 44 176.576 176.576 177.624 -1.048 18216
2505 1 6 . 1 1 44 44 VAL CA C 44 66.873 66.873 65.409 1.464 18216
2506 1 6 . 1 1 44 44 VAL CB C 44 31.658 31.658 30.669 0.989 18216
2507 1 6 . 1 1 45 45 GLU N N 45 119.120 119.120 120.351 -1.231 18216
2508 1 6 . 1 1 45 45 GLU HA H 45 4.060 4.060 4.198 -0.138 18216
2509 1 6 . 1 1 45 45 GLU C C 45 178.332 178.332 178.805 -0.473 18216
2510 1 6 . 1 1 45 45 GLU CA C 45 59.618 59.618 58.645 0.973 18216
2511 1 6 . 1 1 45 45 GLU CB C 45 29.229 29.229 30.005 -0.776 18216
2512 1 6 . 1 1 45 45 GLU H H 45 7.867 7.867 7.695 0.172 18216
2513 1 6 . 1 1 46 46 LEU N N 46 121.527 121.527 120.583 0.944 18216
2514 1 6 . 1 1 46 46 LEU HA H 46 3.997 3.997 3.971 0.026 18216
2515 1 6 . 1 1 46 46 LEU C C 46 175.472 175.472 179.575 -4.103 18216
2516 1 6 . 1 1 46 46 LEU CA C 46 58.391 58.391 58.231 0.160 18216
2517 1 6 . 1 1 46 46 LEU CB C 46 41.312 41.312 42.135 -0.823 18216
2518 1 6 . 1 1 46 46 LEU H H 46 8.200 8.200 8.150 0.050 18216
2519 1 6 . 1 1 47 47 MET N N 47 117.675 117.675 115.489 2.186 18216
2520 1 6 . 1 1 47 47 MET HA H 47 4.141 4.141 4.033 0.108 18216
2521 1 6 . 1 1 47 47 MET C C 47 177.030 177.030 178.487 -1.457 18216
2522 1 6 . 1 1 47 47 MET CA C 47 57.924 57.924 58.340 -0.416 18216
2523 1 6 . 1 1 47 47 MET CB C 47 31.672 31.672 32.264 -0.592 18216
2524 1 6 . 1 1 47 47 MET H H 47 8.330 8.330 8.560 -0.230 18216
2525 1 6 . 1 1 48 48 MET N N 48 117.614 117.614 119.831 -2.217 18216
2526 1 6 . 1 1 48 48 MET HA H 48 4.343 4.343 4.172 0.171 18216
2527 1 6 . 1 1 48 48 MET C C 48 176.562 176.562 177.708 -1.146 18216
2528 1 6 . 1 1 48 48 MET CA C 48 58.942 58.942 57.868 1.073 18216
2529 1 6 . 1 1 48 48 MET CB C 48 32.951 32.951 31.699 1.252 18216
2530 1 6 . 1 1 48 48 MET H H 48 8.148 8.148 7.732 0.416 18216
2531 1 6 . 1 1 49 49 ALA N N 49 121.729 121.729 122.306 -0.577 18216
2532 1 6 . 1 1 49 49 ALA HA H 49 4.220 4.220 4.038 0.182 18216
2533 1 6 . 1 1 49 49 ALA C C 49 179.111 179.111 179.430 -0.319 18216
2534 1 6 . 1 1 49 49 ALA CA C 49 54.902 54.902 54.987 -0.085 18216
2535 1 6 . 1 1 49 49 ALA CB C 49 17.956 17.956 17.812 0.144 18216
2536 1 6 . 1 1 49 49 ALA H H 49 7.890 7.890 7.832 0.058 18216
2537 1 6 . 1 1 50 50 ILE N N 50 122.294 122.294 116.876 5.418 18216
2538 1 6 . 1 1 50 50 ILE HA H 50 3.716 3.716 3.918 -0.202 18216
2539 1 6 . 1 1 50 50 ILE C C 50 175.507 175.507 178.066 -2.559 18216
2540 1 6 . 1 1 50 50 ILE CA C 50 64.908 64.908 63.011 1.897 18216
2541 1 6 . 1 1 50 50 ILE CB C 50 36.664 36.664 36.494 0.170 18216
2542 1 6 . 1 1 50 50 ILE H H 50 8.428 8.428 7.885 0.543 18216
2543 1 6 . 1 1 51 51 GLU N N 51 120.060 120.060 120.090 -0.030 18216
2544 1 6 . 1 1 51 51 GLU HA H 51 4.059 4.059 4.327 -0.268 18216
2545 1 6 . 1 1 51 51 GLU C C 51 178.398 178.398 179.322 -0.924 18216
2546 1 6 . 1 1 51 51 GLU CA C 51 60.419 60.419 58.726 1.693 18216
2547 1 6 . 1 1 51 51 GLU CB C 51 30.212 30.212 29.790 0.422 18216
2548 1 6 . 1 1 51 51 GLU H H 51 8.281 8.281 8.353 -0.072 18216
2549 1 6 . 1 1 52 52 VAL N N 52 117.342 117.342 116.438 0.904 18216
2550 1 6 . 1 1 52 52 VAL HA H 52 3.725 3.725 3.962 -0.237 18216
2551 1 6 . 1 1 52 52 VAL C C 52 176.701 176.701 177.637 -0.936 18216
2552 1 6 . 1 1 52 52 VAL CA C 52 65.682 65.682 64.551 1.131 18216
2553 1 6 . 1 1 52 52 VAL CB C 52 32.278 32.278 30.792 1.486 18216
2554 1 6 . 1 1 52 52 VAL H H 52 7.714 7.714 7.641 0.073 18216
2555 1 6 . 1 1 53 53 GLU N N 53 120.657 120.657 120.178 0.479 18216
2556 1 6 . 1 1 53 53 GLU HA H 53 3.876 3.876 4.141 -0.265 18216
2557 1 6 . 1 1 53 53 GLU C C 53 175.734 175.734 177.636 -1.902 18216
2558 1 6 . 1 1 53 53 GLU CA C 53 58.823 58.823 58.679 0.144 18216
2559 1 6 . 1 1 53 53 GLU CB C 53 29.817 29.817 30.000 -0.183 18216
2560 1 6 . 1 1 53 53 GLU H H 53 8.191 8.191 8.093 0.098 18216
2561 1 6 . 1 1 54 54 TYR N N 54 111.170 111.170 117.825 -6.655 18216
2562 1 6 . 1 1 54 54 TYR HA H 54 4.483 4.483 4.456 0.027 18216
2563 1 6 . 1 1 54 54 TYR C C 54 174.031 174.031 176.341 -2.310 18216
2564 1 6 . 1 1 54 54 TYR CA C 54 59.478 59.478 58.812 0.666 18216
2565 1 6 . 1 1 54 54 TYR CB C 54 39.373 39.373 39.448 -0.075 18216
2566 1 6 . 1 1 54 54 TYR H H 54 8.106 8.106 7.749 0.357 18216
2567 1 6 . 1 1 55 55 GLY N N 55 112.483 112.483 108.385 4.098 18216
2568 1 6 . 1 1 55 55 GLY C C 55 172.863 172.863 174.321 -1.458 18216
2569 1 6 . 1 1 55 55 GLY CA C 55 47.593 47.593 45.383 2.210 18216
2570 1 6 . 1 1 55 55 GLY H H 55 8.047 8.047 8.013 0.034 18216
2571 1 6 . 1 1 56 56 ILE N N 56 112.002 112.002 113.249 -1.247 18216
2572 1 6 . 1 1 56 56 ILE HA H 56 4.692 4.692 4.576 0.116 18216
2573 1 6 . 1 1 56 56 ILE C C 56 171.179 171.179 173.596 -2.417 18216
2574 1 6 . 1 1 56 56 ILE CA C 56 58.776 58.776 58.190 0.586 18216
2575 1 6 . 1 1 56 56 ILE CB C 56 42.063 42.063 40.740 1.323 18216
2576 1 6 . 1 1 56 56 ILE H H 56 7.491 7.491 7.303 0.188 18216
2577 1 6 . 1 1 57 57 ASP N N 57 119.662 119.662 120.334 -0.672 18216
2578 1 6 . 1 1 57 57 ASP HA H 57 4.940 4.940 4.863 0.077 18216
2579 1 6 . 1 1 57 57 ASP C C 57 174.016 174.016 174.917 -0.901 18216
2580 1 6 . 1 1 57 57 ASP CA C 57 52.946 52.946 53.875 -0.929 18216
2581 1 6 . 1 1 57 57 ASP CB C 57 43.115 43.115 42.924 0.191 18216
2582 1 6 . 1 1 57 57 ASP H H 57 8.314 8.314 8.406 -0.092 18216
2583 1 6 . 1 1 58 58 ILE N N 58 125.903 125.903 125.533 0.370 18216
2584 1 6 . 1 1 58 58 ILE HA H 58 4.360 4.360 4.510 -0.150 18216
2585 1 6 . 1 1 58 58 ILE C C 58 170.591 170.591 173.910 -3.319 18216
2586 1 6 . 1 1 58 58 ILE CA C 58 59.354 59.354 58.839 0.515 18216
2587 1 6 . 1 1 58 58 ILE CB C 58 37.984 37.984 40.392 -2.408 18216
2588 1 6 . 1 1 58 58 ILE H H 58 9.901 9.901 8.051 1.850 18216
2589 1 6 . 1 1 59 59 PRO HA H 59 4.536 4.536 4.636 -0.100 18216
2590 1 6 . 1 1 59 59 PRO C C 59 175.502 175.502 176.982 -1.480 18216
2591 1 6 . 1 1 59 59 PRO CA C 59 62.523 62.523 62.086 0.437 18216
2592 1 6 . 1 1 59 59 PRO CB C 59 32.790 32.790 32.799 -0.009 18216
2593 1 6 . 1 1 60 60 ASP N N 60 122.930 122.930 119.732 3.198 18216
2594 1 6 . 1 1 60 60 ASP HA H 60 4.233 4.233 4.272 -0.039 18216
2595 1 6 . 1 1 60 60 ASP C C 60 175.742 175.742 178.037 -2.295 18216
2596 1 6 . 1 1 60 60 ASP CA C 60 57.966 57.966 57.072 0.894 18216
2597 1 6 . 1 1 60 60 ASP CB C 60 40.410 40.410 40.522 -0.112 18216
2598 1 6 . 1 1 60 60 ASP H H 60 8.880 8.880 8.704 0.176 18216
2599 1 6 . 1 1 61 61 ASP N N 61 115.336 115.336 118.206 -2.870 18216
2600 1 6 . 1 1 61 61 ASP HA H 61 4.342 4.342 4.446 -0.104 18216
2601 1 6 . 1 1 61 61 ASP C C 61 176.158 176.158 177.683 -1.525 18216
2602 1 6 . 1 1 61 61 ASP CA C 61 56.199 56.199 56.427 -0.228 18216
2603 1 6 . 1 1 61 61 ASP CB C 61 39.990 39.990 40.358 -0.368 18216
2604 1 6 . 1 1 61 61 ASP H H 61 8.736 8.736 8.683 0.053 18216
2605 1 6 . 1 1 62 62 GLU N N 62 118.044 118.044 117.119 0.925 18216
2606 1 6 . 1 1 62 62 GLU HA H 62 4.237 4.237 4.455 -0.218 18216
2607 1 6 . 1 1 62 62 GLU C C 62 177.114 177.114 176.809 0.305 18216
2608 1 6 . 1 1 62 62 GLU CA C 62 57.354 57.354 55.290 2.064 18216
2609 1 6 . 1 1 62 62 GLU CB C 62 29.151 29.151 28.971 0.180 18216
2610 1 6 . 1 1 62 62 GLU H H 62 7.419 7.419 7.977 -0.558 18216
2611 1 6 . 1 1 63 63 ALA N N 63 123.014 123.014 123.289 -0.275 18216
2612 1 6 . 1 1 63 63 ALA HA H 63 3.708 3.708 4.106 -0.398 18216
2613 1 6 . 1 1 63 63 ALA C C 63 177.936 177.936 177.875 0.061 18216
2614 1 6 . 1 1 63 63 ALA CA C 63 55.400 55.400 54.680 0.720 18216
2615 1 6 . 1 1 63 63 ALA CB C 63 18.245 18.245 18.692 -0.447 18216
2616 1 6 . 1 1 63 63 ALA H H 63 8.338 8.338 7.339 0.999 18216
2617 1 6 . 1 1 64 64 THR N N 64 107.396 107.396 108.791 -1.395 18216
2618 1 6 . 1 1 64 64 THR HA H 64 4.038 4.038 4.336 -0.298 18216
2619 1 6 . 1 1 64 64 THR C C 64 173.058 173.058 175.090 -2.032 18216
2620 1 6 . 1 1 64 64 THR CA C 64 64.120 64.120 61.239 2.881 18216
2621 1 6 . 1 1 64 64 THR CB C 64 69.241 69.241 68.482 0.759 18216
2622 1 6 . 1 1 64 64 THR H H 64 7.534 7.534 8.006 -0.472 18216
2623 1 6 . 1 1 65 65 LYS N N 65 118.248 118.248 120.201 -1.953 18216
2624 1 6 . 1 1 65 65 LYS HA H 65 4.233 4.233 4.484 -0.251 18216
2625 1 6 . 1 1 65 65 LYS C C 65 174.655 174.655 175.316 -0.661 18216
2626 1 6 . 1 1 65 65 LYS CA C 65 56.591 56.591 56.251 0.340 18216
2627 1 6 . 1 1 65 65 LYS CB C 65 33.090 33.090 33.543 -0.453 18216
2628 1 6 . 1 1 65 65 LYS H H 65 7.201 7.201 8.060 -0.859 18216
2629 1 6 . 1 1 66 66 ILE N N 66 121.918 121.918 113.024 8.894 18216
2630 1 6 . 1 1 66 66 ILE HA H 66 3.872 3.872 4.502 -0.630 18216
2631 1 6 . 1 1 66 66 ILE C C 66 172.490 172.490 174.909 -2.419 18216
2632 1 6 . 1 1 66 66 ILE CA C 66 62.250 62.250 59.730 2.520 18216
2633 1 6 . 1 1 66 66 ILE CB C 66 37.132 37.132 37.754 -0.622 18216
2634 1 6 . 1 1 66 66 ILE H H 66 7.323 7.323 7.288 0.035 18216
2635 1 6 . 1 1 67 67 LYS N N 67 126.438 126.438 120.372 6.066 18216
2636 1 6 . 1 1 67 67 LYS HA H 67 4.787 4.787 4.177 0.610 18216
2637 1 6 . 1 1 67 67 LYS C C 67 176.156 176.156 176.380 -0.224 18216
2638 1 6 . 1 1 67 67 LYS CA C 67 56.078 56.078 57.970 -1.892 18216
2639 1 6 . 1 1 67 67 LYS CB C 67 35.435 35.435 32.742 2.693 18216
2640 1 6 . 1 1 67 67 LYS H H 67 9.625 9.625 8.249 1.376 18216
2641 1 6 . 1 1 68 68 THR N N 68 111.201 111.201 112.935 -1.734 18216
2642 1 6 . 1 1 68 68 THR HA H 68 5.041 5.041 4.311 0.730 18216
2643 1 6 . 1 1 68 68 THR C C 68 173.425 173.425 175.791 -2.366 18216
2644 1 6 . 1 1 68 68 THR CA C 68 58.436 58.436 62.008 -3.572 18216
2645 1 6 . 1 1 68 68 THR CB C 68 73.683 73.683 70.231 3.452 18216
2646 1 6 . 1 1 68 68 THR H H 68 8.308 8.308 7.527 0.781 18216
2647 1 6 . 1 1 69 69 VAL N N 69 120.740 120.740 124.002 -3.262 18216
2648 1 6 . 1 1 69 69 VAL HA H 69 3.456 3.456 3.691 -0.235 18216
2649 1 6 . 1 1 69 69 VAL C C 69 176.481 176.481 177.512 -1.031 18216
2650 1 6 . 1 1 69 69 VAL CA C 69 67.506 67.506 66.893 0.613 18216
2651 1 6 . 1 1 69 69 VAL CB C 69 31.255 31.255 31.411 -0.156 18216
2652 1 6 . 1 1 69 69 VAL H H 69 7.685 7.685 8.898 -1.213 18216
2653 1 6 . 1 1 70 70 SER N N 70 114.441 114.441 113.646 0.795 18216
2654 1 6 . 1 1 70 70 SER HA H 70 4.094 4.094 4.234 -0.140 18216
2655 1 6 . 1 1 70 70 SER C C 70 174.461 174.461 176.284 -1.823 18216
2656 1 6 . 1 1 70 70 SER CA C 70 61.222 61.222 61.183 0.039 18216
2657 1 6 . 1 1 70 70 SER CB C 70 62.761 62.761 63.011 -0.250 18216
2658 1 6 . 1 1 70 70 SER H H 70 8.866 8.866 8.135 0.731 18216
2659 1 6 . 1 1 71 71 ASP N N 71 121.065 121.065 122.456 -1.391 18216
2660 1 6 . 1 1 71 71 ASP HA H 71 4.434 4.434 4.643 -0.209 18216
2661 1 6 . 1 1 71 71 ASP C C 71 177.272 177.272 178.392 -1.120 18216
2662 1 6 . 1 1 71 71 ASP CA C 71 57.801 57.801 56.287 1.514 18216
2663 1 6 . 1 1 71 71 ASP CB C 71 41.976 41.976 41.007 0.969 18216
2664 1 6 . 1 1 71 71 ASP H H 71 8.094 8.094 7.657 0.437 18216
2665 1 6 . 1 1 72 72 VAL N N 72 120.351 120.351 120.860 -0.509 18216
2666 1 6 . 1 1 72 72 VAL HA H 72 3.706 3.706 3.571 0.135 18216
2667 1 6 . 1 1 72 72 VAL C C 72 174.409 174.409 177.301 -2.892 18216
2668 1 6 . 1 1 72 72 VAL CA C 72 66.232 66.232 67.209 -0.977 18216
2669 1 6 . 1 1 72 72 VAL CB C 72 31.733 31.733 31.697 0.036 18216
2670 1 6 . 1 1 72 72 VAL H H 72 7.714 7.714 8.484 -0.770 18216
2671 1 6 . 1 1 73 73 ILE N N 73 120.114 120.114 117.118 2.996 18216
2672 1 6 . 1 1 73 73 ILE HA H 73 3.365 3.365 3.828 -0.463 18216
2673 1 6 . 1 1 73 73 ILE C C 73 175.111 175.111 178.539 -3.428 18216
2674 1 6 . 1 1 73 73 ILE CA C 73 66.114 66.114 63.126 2.988 18216
2675 1 6 . 1 1 73 73 ILE CB C 73 38.264 38.264 36.320 1.944 18216
2676 1 6 . 1 1 73 73 ILE H H 73 7.710 7.710 7.599 0.111 18216
2677 1 6 . 1 1 74 74 LYS N N 74 118.158 118.158 121.098 -2.940 18216
2678 1 6 . 1 1 74 74 LYS HA H 74 3.863 3.863 4.041 -0.178 18216
2679 1 6 . 1 1 74 74 LYS C C 74 175.814 175.814 178.755 -2.941 18216
2680 1 6 . 1 1 74 74 LYS CA C 74 59.868 59.868 59.289 0.579 18216
2681 1 6 . 1 1 74 74 LYS CB C 74 32.727 32.727 32.419 0.308 18216
2682 1 6 . 1 1 74 74 LYS H H 74 8.422 8.422 7.522 0.900 18216
2683 1 6 . 1 1 75 75 TYR N N 75 119.834 119.834 120.263 -0.429 18216
2684 1 6 . 1 1 75 75 TYR HA H 75 3.959 3.959 4.324 -0.365 18216
2685 1 6 . 1 1 75 75 TYR C C 75 176.122 176.122 177.868 -1.746 18216
2686 1 6 . 1 1 75 75 TYR CA C 75 62.025 62.025 61.298 0.727 18216
2687 1 6 . 1 1 75 75 TYR CB C 75 38.891 38.891 39.312 -0.422 18216
2688 1 6 . 1 1 75 75 TYR H H 75 7.701 7.701 8.124 -0.423 18216
2689 1 6 . 1 1 76 76 ILE N N 76 117.609 117.609 118.589 -0.980 18216
2690 1 6 . 1 1 76 76 ILE HA H 76 3.255 3.255 3.475 -0.220 18216
2691 1 6 . 1 1 76 76 ILE C C 76 176.730 176.730 177.392 -0.662 18216
2692 1 6 . 1 1 76 76 ILE CA C 76 65.383 65.383 65.082 0.301 18216
2693 1 6 . 1 1 76 76 ILE CB C 76 38.797 38.797 37.193 1.604 18216
2694 1 6 . 1 1 76 76 ILE H H 76 8.032 8.032 8.612 -0.580 18216
2695 1 6 . 1 1 77 77 LYS N N 77 117.750 117.750 120.678 -2.928 18216
2696 1 6 . 1 1 77 77 LYS HA H 77 3.804 3.804 3.890 -0.086 18216
2697 1 6 . 1 1 77 77 LYS C C 77 177.793 177.793 178.337 -0.544 18216
2698 1 6 . 1 1 77 77 LYS CA C 77 60.288 60.288 59.501 0.787 18216
2699 1 6 . 1 1 77 77 LYS CB C 77 32.504 32.504 31.795 0.709 18216
2700 1 6 . 1 1 77 77 LYS H H 77 8.353 8.353 7.656 0.697 18216
2701 1 6 . 1 1 78 78 GLU N N 78 117.517 117.517 116.308 1.209 18216
2702 1 6 . 1 1 78 78 GLU HA H 78 4.048 4.048 4.124 -0.076 18216
2703 1 6 . 1 1 78 78 GLU C C 78 175.974 175.974 177.636 -1.662 18216
2704 1 6 . 1 1 78 78 GLU CA C 78 58.352 58.352 57.808 0.544 18216
2705 1 6 . 1 1 78 78 GLU CB C 78 29.598 29.598 29.731 -0.133 18216
2706 1 6 . 1 1 78 78 GLU H H 78 8.057 8.057 7.681 0.376 18216
2707 1 6 . 1 1 79 79 ARG N N 79 117.613 117.613 118.419 -0.806 18216
2708 1 6 . 1 1 79 79 ARG HA H 79 4.271 4.271 4.096 0.175 18216
2709 1 6 . 1 1 79 79 ARG C C 79 174.583 174.583 177.261 -2.678 18216
2710 1 6 . 1 1 79 79 ARG CA C 79 55.965 55.965 56.691 -0.725 18216
2711 1 6 . 1 1 79 79 ARG CB C 79 30.171 30.171 30.543 -0.372 18216
2712 1 6 . 1 1 79 79 ARG H H 79 7.544 7.544 7.226 0.318 18216
2713 1 6 . 1 1 80 80 GLN N N 80 119.495 119.495 118.908 0.587 18216
2714 1 6 . 1 1 80 80 GLN HA H 80 4.400 4.400 4.246 0.154 18216
2715 1 6 . 1 1 80 80 GLN C C 80 173.178 173.178 175.364 -2.186 18216
2716 1 6 . 1 1 80 80 GLN CA C 80 56.114 56.114 56.187 -0.073 18216
2717 1 6 . 1 1 80 80 GLN CB C 80 29.391 29.391 29.167 0.224 18216
2718 1 6 . 1 1 80 80 GLN H H 80 7.675 7.675 7.915 -0.240 18216
2719 1 7 . 1 1 4 4 THR HA H 4 4.199 4.199 4.013 0.186 18216
2720 1 7 . 1 1 4 4 THR C C 4 172.396 172.396 173.779 -1.383 18216
2721 1 7 . 1 1 4 4 THR CA C 4 62.877 62.877 62.971 -0.094 18216
2722 1 7 . 1 1 4 4 THR CB C 4 69.501 69.501 68.464 1.037 18216
2723 1 7 . 1 1 5 5 ASP N N 5 123.982 123.982 119.388 4.594 18216
2724 1 7 . 1 1 5 5 ASP HA H 5 4.560 4.560 4.566 -0.006 18216
2725 1 7 . 1 1 5 5 ASP C C 5 174.716 174.716 177.302 -2.586 18216
2726 1 7 . 1 1 5 5 ASP CA C 5 54.733 54.733 55.083 -0.350 18216
2727 1 7 . 1 1 5 5 ASP CB C 5 41.451 41.451 41.881 -0.430 18216
2728 1 7 . 1 1 5 5 ASP H H 5 8.457 8.457 8.627 -0.170 18216
2729 1 7 . 1 1 6 6 LYS N N 6 122.949 122.949 121.118 1.831 18216
2730 1 7 . 1 1 6 6 LYS HA H 6 4.141 4.141 4.331 -0.190 18216
2731 1 7 . 1 1 6 6 LYS C C 6 177.076 177.076 178.548 -1.472 18216
2732 1 7 . 1 1 6 6 LYS CA C 6 58.725 58.725 57.422 1.303 18216
2733 1 7 . 1 1 6 6 LYS CB C 6 32.481 32.481 32.339 0.142 18216
2734 1 7 . 1 1 6 6 LYS H H 6 8.421 8.421 8.487 -0.066 18216
2735 1 7 . 1 1 7 7 ILE N N 7 121.024 121.024 118.188 2.836 18216
2736 1 7 . 1 1 7 7 ILE HA H 7 4.036 4.036 3.878 0.158 18216
2737 1 7 . 1 1 7 7 ILE C C 7 174.780 174.780 177.700 -2.920 18216
2738 1 7 . 1 1 7 7 ILE CA C 7 64.418 64.418 64.291 0.127 18216
2739 1 7 . 1 1 7 7 ILE CB C 7 37.541 37.541 37.533 0.008 18216
2740 1 7 . 1 1 7 7 ILE H H 7 8.055 8.055 8.094 -0.039 18216
2741 1 7 . 1 1 8 8 GLU N N 8 119.901 119.901 119.419 0.482 18216
2742 1 7 . 1 1 8 8 GLU HA H 8 3.620 3.620 3.992 -0.372 18216
2743 1 7 . 1 1 8 8 GLU C C 8 175.403 175.403 177.887 -2.484 18216
2744 1 7 . 1 1 8 8 GLU CA C 8 60.226 60.226 59.325 0.901 18216
2745 1 7 . 1 1 8 8 GLU CB C 8 29.793 29.793 29.390 0.404 18216
2746 1 7 . 1 1 8 8 GLU H H 8 8.178 8.178 8.066 0.112 18216
2747 1 7 . 1 1 9 9 GLN N N 9 114.019 114.019 116.389 -2.370 18216
2748 1 7 . 1 1 9 9 GLN HA H 9 3.887 3.887 4.295 -0.408 18216
2749 1 7 . 1 1 9 9 GLN C C 9 176.383 176.383 177.346 -0.963 18216
2750 1 7 . 1 1 9 9 GLN CA C 9 59.031 59.031 57.598 1.433 18216
2751 1 7 . 1 1 9 9 GLN CB C 9 28.829 28.829 29.252 -0.423 18216
2752 1 7 . 1 1 9 9 GLN H H 9 7.923 7.923 8.032 -0.109 18216
2753 1 7 . 1 1 10 10 LYS N N 10 119.999 119.999 119.146 0.853 18216
2754 1 7 . 1 1 10 10 LYS HA H 10 4.182 4.182 4.280 -0.098 18216
2755 1 7 . 1 1 10 10 LYS C C 10 176.671 176.671 178.784 -2.113 18216
2756 1 7 . 1 1 10 10 LYS CA C 10 58.067 58.067 58.133 -0.065 18216
2757 1 7 . 1 1 10 10 LYS CB C 10 31.522 31.522 32.873 -1.351 18216
2758 1 7 . 1 1 10 10 LYS H H 10 7.783 7.783 7.739 0.044 18216
2759 1 7 . 1 1 11 11 VAL N N 11 119.291 119.291 122.137 -2.846 18216
2760 1 7 . 1 1 11 11 VAL HA H 11 3.602 3.602 3.835 -0.233 18216
2761 1 7 . 1 1 11 11 VAL C C 11 176.092 176.092 176.965 -0.873 18216
2762 1 7 . 1 1 11 11 VAL CA C 11 67.715 67.715 65.831 1.884 18216
2763 1 7 . 1 1 11 11 VAL CB C 11 30.791 30.791 31.957 -1.166 18216
2764 1 7 . 1 1 11 11 VAL H H 11 8.928 8.928 8.084 0.844 18216
2765 1 7 . 1 1 12 12 ILE N N 12 119.163 119.163 118.637 0.526 18216
2766 1 7 . 1 1 12 12 ILE HA H 12 3.413 3.413 3.681 -0.268 18216
2767 1 7 . 1 1 12 12 ILE C C 12 175.417 175.417 177.338 -1.921 18216
2768 1 7 . 1 1 12 12 ILE CA C 12 68.032 68.032 64.374 3.658 18216
2769 1 7 . 1 1 12 12 ILE CB C 12 37.135 37.135 37.830 -0.695 18216
2770 1 7 . 1 1 12 12 ILE H H 12 8.255 8.255 7.636 0.619 18216
2771 1 7 . 1 1 13 13 GLU N N 13 118.515 118.515 118.760 -0.245 18216
2772 1 7 . 1 1 13 13 GLU HA H 13 3.868 3.868 4.033 -0.165 18216
2773 1 7 . 1 1 13 13 GLU C C 13 177.514 177.514 178.378 -0.864 18216
2774 1 7 . 1 1 13 13 GLU CA C 13 60.145 60.145 58.560 1.585 18216
2775 1 7 . 1 1 13 13 GLU CB C 13 29.487 29.487 29.741 -0.255 18216
2776 1 7 . 1 1 13 13 GLU H H 13 7.821 7.821 7.833 -0.012 18216
2777 1 7 . 1 1 14 14 MET N N 14 120.174 120.174 120.260 -0.086 18216
2778 1 7 . 1 1 14 14 MET HA H 14 4.168 4.168 4.071 0.097 18216
2779 1 7 . 1 1 14 14 MET C C 14 176.631 176.631 178.041 -1.410 18216
2780 1 7 . 1 1 14 14 MET CA C 14 59.409 59.409 58.313 1.096 18216
2781 1 7 . 1 1 14 14 MET CB C 14 33.931 33.931 32.812 1.119 18216
2782 1 7 . 1 1 14 14 MET H H 14 8.610 8.610 7.405 1.205 18216
2783 1 7 . 1 1 15 15 VAL N N 15 120.579 120.579 117.908 2.671 18216
2784 1 7 . 1 1 15 15 VAL HA H 15 3.441 3.441 3.622 -0.181 18216
2785 1 7 . 1 1 15 15 VAL C C 15 175.086 175.086 178.007 -2.921 18216
2786 1 7 . 1 1 15 15 VAL CA C 15 67.096 67.096 66.065 1.031 18216
2787 1 7 . 1 1 15 15 VAL CB C 15 31.481 31.481 30.443 1.038 18216
2788 1 7 . 1 1 15 15 VAL H H 15 8.975 8.975 8.288 0.687 18216
2789 1 7 . 1 1 16 16 ALA N N 16 121.102 121.102 120.754 0.348 18216
2790 1 7 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.435 -0.657 18216
2791 1 7 . 1 1 16 16 ALA C C 16 178.027 178.027 179.174 -1.147 18216
2792 1 7 . 1 1 16 16 ALA CA C 16 55.944 55.944 54.203 1.742 18216
2793 1 7 . 1 1 16 16 ALA CB C 16 18.234 18.234 18.719 -0.485 18216
2794 1 7 . 1 1 16 16 ALA H H 16 8.387 8.387 7.488 0.899 18216
2795 1 7 . 1 1 17 17 GLU N N 17 115.683 115.683 117.322 -1.639 18216
2796 1 7 . 1 1 17 17 GLU HA H 17 4.102 4.102 4.315 -0.213 18216
2797 1 7 . 1 1 17 17 GLU C C 17 177.810 177.810 177.586 0.224 18216
2798 1 7 . 1 1 17 17 GLU CA C 17 59.241 59.241 57.110 2.131 18216
2799 1 7 . 1 1 17 17 GLU CB C 17 30.175 30.175 30.092 0.083 18216
2800 1 7 . 1 1 17 17 GLU H H 17 8.043 8.043 7.948 0.095 18216
2801 1 7 . 1 1 18 18 LYS N N 18 116.582 116.582 118.658 -2.076 18216
2802 1 7 . 1 1 18 18 LYS HA H 18 4.186 4.186 4.050 0.136 18216
2803 1 7 . 1 1 18 18 LYS C C 18 175.949 175.949 176.539 -0.590 18216
2804 1 7 . 1 1 18 18 LYS CA C 18 57.029 57.029 58.753 -1.724 18216
2805 1 7 . 1 1 18 18 LYS CB C 18 31.479 31.479 33.072 -1.593 18216
2806 1 7 . 1 1 18 18 LYS H H 18 8.669 8.669 7.890 0.779 18216
2807 1 7 . 1 1 19 19 LEU N N 19 113.633 113.633 118.351 -4.718 18216
2808 1 7 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.294 0.197 18216
2809 1 7 . 1 1 19 19 LEU C C 19 174.261 174.261 175.389 -1.128 18216
2810 1 7 . 1 1 19 19 LEU CA C 19 54.230 54.230 53.132 1.098 18216
2811 1 7 . 1 1 19 19 LEU CB C 19 40.477 40.477 41.434 -0.957 18216
2812 1 7 . 1 1 19 19 LEU H H 19 8.226 8.226 7.260 0.966 18216
2813 1 7 . 1 1 20 20 ASN N N 20 117.866 117.866 118.301 -0.435 18216
2814 1 7 . 1 1 20 20 ASN HA H 20 4.416 4.416 4.469 -0.053 18216
2815 1 7 . 1 1 20 20 ASN C C 20 172.278 172.278 173.883 -1.605 18216
2816 1 7 . 1 1 20 20 ASN CA C 20 54.058 54.058 54.131 -0.073 18216
2817 1 7 . 1 1 20 20 ASN CB C 20 36.788 36.788 37.501 -0.713 18216
2818 1 7 . 1 1 20 20 ASN H H 20 7.616 7.616 8.152 -0.536 18216
2819 1 7 . 1 1 21 21 LYS N N 21 117.035 117.035 120.268 -3.233 18216
2820 1 7 . 1 1 21 21 LYS HA H 21 4.717 4.717 4.454 0.263 18216
2821 1 7 . 1 1 21 21 LYS C C 21 173.009 173.009 175.737 -2.728 18216
2822 1 7 . 1 1 21 21 LYS CA C 21 52.589 52.589 55.232 -2.643 18216
2823 1 7 . 1 1 21 21 LYS CB C 21 36.114 36.114 34.420 1.694 18216
2824 1 7 . 1 1 21 21 LYS H H 21 8.473 8.473 7.349 1.124 18216
2825 1 7 . 1 1 22 22 ASP N N 22 120.954 120.954 126.470 -5.516 18216
2826 1 7 . 1 1 22 22 ASP HA H 22 4.422 4.422 4.465 -0.043 18216
2827 1 7 . 1 1 22 22 ASP C C 22 175.257 175.257 177.402 -2.145 18216
2828 1 7 . 1 1 22 22 ASP CA C 22 54.220 54.220 54.739 -0.519 18216
2829 1 7 . 1 1 22 22 ASP CB C 22 41.895 41.895 42.441 -0.546 18216
2830 1 7 . 1 1 22 22 ASP H H 22 8.261 8.261 8.811 -0.550 18216
2831 1 7 . 1 1 23 23 LYS N N 23 125.865 125.865 124.150 1.715 18216
2832 1 7 . 1 1 23 23 LYS HA H 23 3.742 3.742 4.018 -0.276 18216
2833 1 7 . 1 1 23 23 LYS C C 23 175.599 175.599 177.532 -1.933 18216
2834 1 7 . 1 1 23 23 LYS CA C 23 59.607 59.607 59.297 0.310 18216
2835 1 7 . 1 1 23 23 LYS CB C 23 32.184 32.184 32.255 -0.071 18216
2836 1 7 . 1 1 23 23 LYS H H 23 8.697 8.697 8.731 -0.034 18216
2837 1 7 . 1 1 24 24 ALA N N 24 118.731 118.731 119.466 -0.735 18216
2838 1 7 . 1 1 24 24 ALA HA H 24 4.110 4.110 4.134 -0.024 18216
2839 1 7 . 1 1 24 24 ALA C C 24 177.449 177.449 178.427 -0.978 18216
2840 1 7 . 1 1 24 24 ALA CA C 24 54.192 54.192 54.049 0.143 18216
2841 1 7 . 1 1 24 24 ALA CB C 24 19.018 19.018 18.772 0.246 18216
2842 1 7 . 1 1 24 24 ALA H H 24 8.509 8.509 8.075 0.434 18216
2843 1 7 . 1 1 25 25 ILE N N 25 110.020 110.020 116.242 -6.222 18216
2844 1 7 . 1 1 25 25 ILE HA H 25 4.406 4.406 4.208 0.198 18216
2845 1 7 . 1 1 25 25 ILE C C 25 173.524 173.524 176.446 -2.922 18216
2846 1 7 . 1 1 25 25 ILE CA C 25 60.373 60.373 61.212 -0.839 18216
2847 1 7 . 1 1 25 25 ILE CB C 25 38.423 38.423 38.273 0.150 18216
2848 1 7 . 1 1 25 25 ILE H H 25 7.562 7.562 7.555 0.007 18216
2849 1 7 . 1 1 26 26 ILE N N 26 122.932 122.932 121.491 1.441 18216
2850 1 7 . 1 1 26 26 ILE HA H 26 3.961 3.961 3.990 -0.029 18216
2851 1 7 . 1 1 26 26 ILE C C 26 172.610 172.610 175.586 -2.976 18216
2852 1 7 . 1 1 26 26 ILE CA C 26 61.520 61.520 61.998 -0.478 18216
2853 1 7 . 1 1 26 26 ILE CB C 26 37.367 37.367 36.231 1.136 18216
2854 1 7 . 1 1 26 26 ILE H H 26 7.377 7.377 7.570 -0.193 18216
2855 1 7 . 1 1 27 27 THR N N 27 116.747 116.747 120.934 -4.187 18216
2856 1 7 . 1 1 27 27 THR HA H 27 4.857 4.857 4.627 0.230 18216
2857 1 7 . 1 1 27 27 THR C C 27 174.186 174.186 174.807 -0.621 18216
2858 1 7 . 1 1 27 27 THR CA C 27 58.917 58.917 60.481 -1.564 18216
2859 1 7 . 1 1 27 27 THR CB C 27 72.257 72.257 71.495 0.762 18216
2860 1 7 . 1 1 27 27 THR H H 27 8.549 8.549 7.657 0.892 18216
2861 1 7 . 1 1 28 28 THR N N 28 110.578 110.578 117.303 -6.725 18216
2862 1 7 . 1 1 28 28 THR HA H 28 3.743 3.743 4.259 -0.516 18216
2863 1 7 . 1 1 28 28 THR C C 28 172.642 172.642 174.235 -1.593 18216
2864 1 7 . 1 1 28 28 THR CA C 28 65.306 65.306 64.210 1.097 18216
2865 1 7 . 1 1 28 28 THR CB C 28 67.621 67.621 68.617 -0.996 18216
2866 1 7 . 1 1 28 28 THR H H 28 8.817 8.817 8.682 0.135 18216
2867 1 7 . 1 1 29 29 ASP N N 29 117.036 117.036 121.773 -4.737 18216
2868 1 7 . 1 1 29 29 ASP HA H 29 4.719 4.719 4.795 -0.076 18216
2869 1 7 . 1 1 29 29 ASP C C 29 174.246 174.246 175.714 -1.468 18216
2870 1 7 . 1 1 29 29 ASP CA C 29 54.208 54.208 53.385 0.823 18216
2871 1 7 . 1 1 29 29 ASP CB C 29 41.567 41.567 41.905 -0.338 18216
2872 1 7 . 1 1 29 29 ASP H H 29 7.777 7.777 7.715 0.062 18216
2873 1 7 . 1 1 30 30 SER N N 30 117.171 117.171 116.491 0.680 18216
2874 1 7 . 1 1 30 30 SER HA H 30 4.063 4.063 4.298 -0.235 18216
2875 1 7 . 1 1 30 30 SER C C 30 171.138 171.138 174.178 -3.040 18216
2876 1 7 . 1 1 30 30 SER CA C 30 61.581 61.581 59.927 1.654 18216
2877 1 7 . 1 1 30 30 SER CB C 30 63.349 63.349 63.933 -0.584 18216
2878 1 7 . 1 1 30 30 SER H H 30 7.619 7.619 7.445 0.174 18216
2879 1 7 . 1 1 31 31 ARG N N 31 124.648 124.648 126.106 -1.458 18216
2880 1 7 . 1 1 31 31 ARG HA H 31 4.644 4.644 4.382 0.262 18216
2881 1 7 . 1 1 31 31 ARG C C 31 176.660 176.660 176.504 0.156 18216
2882 1 7 . 1 1 31 31 ARG CA C 31 54.323 54.323 54.955 -0.632 18216
2883 1 7 . 1 1 31 31 ARG CB C 31 30.539 30.539 30.220 0.319 18216
2884 1 7 . 1 1 31 31 ARG H H 31 10.379 10.379 8.474 1.905 18216
2885 1 7 . 1 1 32 32 PHE N N 32 124.068 124.068 117.903 6.165 18216
2886 1 7 . 1 1 32 32 PHE HA H 32 3.964 3.964 4.175 -0.211 18216
2887 1 7 . 1 1 32 32 PHE C C 32 173.376 173.376 177.358 -3.982 18216
2888 1 7 . 1 1 32 32 PHE CA C 32 62.578 62.578 60.131 2.447 18216
2889 1 7 . 1 1 32 32 PHE CB C 32 38.147 38.147 37.868 0.279 18216
2890 1 7 . 1 1 32 32 PHE H H 32 7.833 7.833 7.648 0.185 18216
2891 1 7 . 1 1 33 33 ILE N N 33 116.395 116.395 119.615 -3.220 18216
2892 1 7 . 1 1 33 33 ILE HA H 33 4.044 4.044 3.853 0.191 18216
2893 1 7 . 1 1 33 33 ILE C C 33 178.005 178.005 177.428 0.577 18216
2894 1 7 . 1 1 33 33 ILE CA C 33 64.293 64.293 63.521 0.772 18216
2895 1 7 . 1 1 33 33 ILE CB C 33 36.905 36.905 37.976 -1.071 18216
2896 1 7 . 1 1 33 33 ILE H H 33 8.696 8.696 7.322 1.374 18216
2897 1 7 . 1 1 34 34 GLU N N 34 117.346 117.346 118.725 -1.379 18216
2898 1 7 . 1 1 34 34 GLU HA H 34 3.859 3.859 4.179 -0.320 18216
2899 1 7 . 1 1 34 34 GLU C C 34 175.723 175.723 178.688 -2.965 18216
2900 1 7 . 1 1 34 34 GLU CA C 34 62.485 62.485 58.788 3.697 18216
2901 1 7 . 1 1 34 34 GLU CB C 34 29.032 29.032 29.704 -0.672 18216
2902 1 7 . 1 1 34 34 GLU H H 34 9.408 9.408 7.783 1.625 18216
2903 1 7 . 1 1 35 35 ASP N N 35 112.053 112.053 119.827 -7.774 18216
2904 1 7 . 1 1 35 35 ASP HA H 35 5.026 5.026 4.462 0.564 18216
2905 1 7 . 1 1 35 35 ASP C C 35 175.237 175.237 177.825 -2.588 18216
2906 1 7 . 1 1 35 35 ASP CA C 35 55.996 55.996 56.602 -0.606 18216
2907 1 7 . 1 1 35 35 ASP CB C 35 41.508 41.508 41.063 0.445 18216
2908 1 7 . 1 1 35 35 ASP H H 35 7.527 7.527 8.293 -0.766 18216
2909 1 7 . 1 1 36 36 LEU N N 36 115.898 115.898 118.029 -2.131 18216
2910 1 7 . 1 1 36 36 LEU HA H 36 4.274 4.274 4.369 -0.095 18216
2911 1 7 . 1 1 36 36 LEU C C 36 172.955 172.955 175.618 -2.663 18216
2912 1 7 . 1 1 36 36 LEU CA C 36 54.739 54.739 55.075 -0.336 18216
2913 1 7 . 1 1 36 36 LEU CB C 36 40.891 40.891 42.908 -2.017 18216
2914 1 7 . 1 1 36 36 LEU H H 36 7.648 7.648 7.584 0.064 18216
2915 1 7 . 1 1 37 37 LYS N N 37 114.307 114.307 117.791 -3.484 18216
2916 1 7 . 1 1 37 37 LYS HA H 37 4.207 4.207 4.071 0.136 18216
2917 1 7 . 1 1 37 37 LYS C C 37 174.539 174.539 175.263 -0.724 18216
2918 1 7 . 1 1 37 37 LYS CA C 37 55.942 55.942 56.648 -0.706 18216
2919 1 7 . 1 1 37 37 LYS CB C 37 28.513 28.513 29.890 -1.377 18216
2920 1 7 . 1 1 37 37 LYS H H 37 7.247 7.247 7.264 -0.017 18216
2921 1 7 . 1 1 38 38 ALA N N 38 121.453 121.453 121.576 -0.123 18216
2922 1 7 . 1 1 38 38 ALA HA H 38 4.392 4.392 4.138 0.254 18216
2923 1 7 . 1 1 38 38 ALA C C 38 175.605 175.605 177.112 -1.507 18216
2924 1 7 . 1 1 38 38 ALA CA C 38 52.008 52.008 52.624 -0.616 18216
2925 1 7 . 1 1 38 38 ALA CB C 38 20.568 20.568 19.067 1.501 18216
2926 1 7 . 1 1 38 38 ALA H H 38 8.442 8.442 7.466 0.976 18216
2927 1 7 . 1 1 39 39 ASP N N 39 123.391 123.391 124.887 -1.496 18216
2928 1 7 . 1 1 39 39 ASP HA H 39 4.782 4.782 4.585 0.197 18216
2929 1 7 . 1 1 39 39 ASP C C 39 175.798 175.798 177.538 -1.740 18216
2930 1 7 . 1 1 39 39 ASP CA C 39 52.823 52.823 54.488 -1.665 18216
2931 1 7 . 1 1 39 39 ASP CB C 39 42.613 42.613 42.096 0.517 18216
2932 1 7 . 1 1 39 39 ASP H H 39 9.038 9.038 8.404 0.634 18216
2933 1 7 . 1 1 40 40 SER N N 40 116.961 116.961 116.701 0.260 18216
2934 1 7 . 1 1 40 40 SER HA H 40 4.226 4.226 4.193 0.033 18216
2935 1 7 . 1 1 40 40 SER C C 40 174.197 174.197 176.673 -2.476 18216
2936 1 7 . 1 1 40 40 SER CA C 40 60.234 60.234 61.554 -1.320 18216
2937 1 7 . 1 1 40 40 SER CB C 40 65.619 65.619 63.374 2.245 18216
2938 1 7 . 1 1 40 40 SER H H 40 8.936 8.936 8.494 0.442 18216
2939 1 7 . 1 1 41 41 LEU N N 41 124.152 124.152 116.430 7.722 18216
2940 1 7 . 1 1 41 41 LEU HA H 41 4.187 4.187 4.214 -0.027 18216
2941 1 7 . 1 1 41 41 LEU C C 41 175.316 175.316 177.556 -2.240 18216
2942 1 7 . 1 1 41 41 LEU CA C 41 57.873 57.873 57.614 0.259 18216
2943 1 7 . 1 1 41 41 LEU CB C 41 41.085 41.085 40.881 0.204 18216
2944 1 7 . 1 1 41 41 LEU H H 41 8.279 8.279 8.085 0.194 18216
2945 1 7 . 1 1 42 42 ASP N N 42 120.193 120.193 119.091 1.102 18216
2946 1 7 . 1 1 42 42 ASP HA H 42 4.415 4.415 4.476 -0.061 18216
2947 1 7 . 1 1 42 42 ASP C C 42 176.858 176.858 178.335 -1.477 18216
2948 1 7 . 1 1 42 42 ASP CA C 42 57.144 57.144 56.925 0.219 18216
2949 1 7 . 1 1 42 42 ASP CB C 42 40.895 40.895 40.435 0.460 18216
2950 1 7 . 1 1 42 42 ASP H H 42 8.002 8.002 8.120 -0.118 18216
2951 1 7 . 1 1 43 43 THR N N 43 112.919 112.919 115.208 -2.289 18216
2952 1 7 . 1 1 43 43 THR HA H 43 3.554 3.554 4.007 -0.453 18216
2953 1 7 . 1 1 43 43 THR CA C 43 66.658 66.658 66.241 0.417 18216
2954 1 7 . 1 1 43 43 THR CB C 43 68.423 68.423 68.333 0.090 18216
2955 1 7 . 1 1 43 43 THR H H 43 7.939 7.939 8.412 -0.473 18216
2956 1 7 . 1 1 44 44 VAL HA H 44 3.645 3.645 3.677 -0.032 18216
2957 1 7 . 1 1 44 44 VAL C C 44 176.576 176.576 178.157 -1.581 18216
2958 1 7 . 1 1 44 44 VAL CA C 44 66.873 66.873 67.011 -0.138 18216
2959 1 7 . 1 1 44 44 VAL CB C 44 31.658 31.658 30.775 0.883 18216
2960 1 7 . 1 1 45 45 GLU N N 45 119.120 119.120 119.861 -0.741 18216
2961 1 7 . 1 1 45 45 GLU HA H 45 4.060 4.060 4.189 -0.130 18216
2962 1 7 . 1 1 45 45 GLU C C 45 178.332 178.332 179.112 -0.780 18216
2963 1 7 . 1 1 45 45 GLU CA C 45 59.618 59.618 58.702 0.916 18216
2964 1 7 . 1 1 45 45 GLU CB C 45 29.229 29.229 29.803 -0.574 18216
2965 1 7 . 1 1 45 45 GLU H H 45 7.867 7.867 7.621 0.246 18216
2966 1 7 . 1 1 46 46 LEU N N 46 121.527 121.527 120.325 1.202 18216
2967 1 7 . 1 1 46 46 LEU HA H 46 3.997 3.997 3.950 0.047 18216
2968 1 7 . 1 1 46 46 LEU C C 46 175.472 175.472 179.535 -4.063 18216
2969 1 7 . 1 1 46 46 LEU CA C 46 58.391 58.391 57.944 0.447 18216
2970 1 7 . 1 1 46 46 LEU CB C 46 41.312 41.312 42.079 -0.767 18216
2971 1 7 . 1 1 46 46 LEU H H 46 8.200 8.200 8.372 -0.172 18216
2972 1 7 . 1 1 47 47 MET N N 47 117.675 117.675 116.782 0.893 18216
2973 1 7 . 1 1 47 47 MET HA H 47 4.141 4.141 4.067 0.074 18216
2974 1 7 . 1 1 47 47 MET C C 47 177.030 177.030 178.516 -1.486 18216
2975 1 7 . 1 1 47 47 MET CA C 47 57.924 57.924 58.335 -0.411 18216
2976 1 7 . 1 1 47 47 MET CB C 47 31.672 31.672 32.403 -0.731 18216
2977 1 7 . 1 1 47 47 MET H H 47 8.330 8.330 8.282 0.048 18216
2978 1 7 . 1 1 48 48 MET N N 48 117.614 117.614 120.453 -2.839 18216
2979 1 7 . 1 1 48 48 MET HA H 48 4.343 4.343 4.205 0.138 18216
2980 1 7 . 1 1 48 48 MET C C 48 176.562 176.562 177.697 -1.135 18216
2981 1 7 . 1 1 48 48 MET CA C 48 58.942 58.942 57.725 1.217 18216
2982 1 7 . 1 1 48 48 MET CB C 48 32.951 32.951 31.755 1.196 18216
2983 1 7 . 1 1 48 48 MET H H 48 8.148 8.148 7.736 0.412 18216
2984 1 7 . 1 1 49 49 ALA N N 49 121.729 121.729 122.490 -0.761 18216
2985 1 7 . 1 1 49 49 ALA HA H 49 4.220 4.220 4.028 0.192 18216
2986 1 7 . 1 1 49 49 ALA C C 49 179.111 179.111 179.409 -0.298 18216
2987 1 7 . 1 1 49 49 ALA CA C 49 54.902 54.902 54.923 -0.021 18216
2988 1 7 . 1 1 49 49 ALA CB C 49 17.956 17.956 17.843 0.113 18216
2989 1 7 . 1 1 49 49 ALA H H 49 7.890 7.890 7.672 0.218 18216
2990 1 7 . 1 1 50 50 ILE N N 50 122.294 122.294 116.928 5.366 18216
2991 1 7 . 1 1 50 50 ILE HA H 50 3.716 3.716 3.850 -0.134 18216
2992 1 7 . 1 1 50 50 ILE C C 50 175.507 175.507 178.252 -2.745 18216
2993 1 7 . 1 1 50 50 ILE CA C 50 64.908 64.908 62.982 1.926 18216
2994 1 7 . 1 1 50 50 ILE CB C 50 36.664 36.664 36.532 0.132 18216
2995 1 7 . 1 1 50 50 ILE H H 50 8.428 8.428 8.117 0.311 18216
2996 1 7 . 1 1 51 51 GLU N N 51 120.060 120.060 120.007 0.053 18216
2997 1 7 . 1 1 51 51 GLU HA H 51 4.059 4.059 4.351 -0.292 18216
2998 1 7 . 1 1 51 51 GLU C C 51 178.398 178.398 179.448 -1.050 18216
2999 1 7 . 1 1 51 51 GLU CA C 51 60.419 60.419 59.278 1.141 18216
3000 1 7 . 1 1 51 51 GLU CB C 51 30.212 30.212 30.353 -0.141 18216
3001 1 7 . 1 1 51 51 GLU H H 51 8.281 8.281 8.214 0.067 18216
3002 1 7 . 1 1 52 52 VAL N N 52 117.342 117.342 114.844 2.498 18216
3003 1 7 . 1 1 52 52 VAL HA H 52 3.725 3.725 3.897 -0.172 18216
3004 1 7 . 1 1 52 52 VAL C C 52 176.701 176.701 177.403 -0.702 18216
3005 1 7 . 1 1 52 52 VAL CA C 52 65.682 65.682 65.534 0.148 18216
3006 1 7 . 1 1 52 52 VAL CB C 52 32.278 32.278 31.363 0.914 18216
3007 1 7 . 1 1 52 52 VAL H H 52 7.714 7.714 7.493 0.221 18216
3008 1 7 . 1 1 53 53 GLU N N 53 120.657 120.657 120.872 -0.215 18216
3009 1 7 . 1 1 53 53 GLU HA H 53 3.876 3.876 4.121 -0.245 18216
3010 1 7 . 1 1 53 53 GLU C C 53 175.734 175.734 177.796 -2.062 18216
3011 1 7 . 1 1 53 53 GLU CA C 53 58.823 58.823 58.683 0.140 18216
3012 1 7 . 1 1 53 53 GLU CB C 53 29.817 29.817 29.945 -0.128 18216
3013 1 7 . 1 1 53 53 GLU H H 53 8.191 8.191 8.140 0.051 18216
3014 1 7 . 1 1 54 54 TYR N N 54 111.170 111.170 117.566 -6.396 18216
3015 1 7 . 1 1 54 54 TYR HA H 54 4.483 4.483 4.467 0.016 18216
3016 1 7 . 1 1 54 54 TYR C C 54 174.031 174.031 176.758 -2.727 18216
3017 1 7 . 1 1 54 54 TYR CA C 54 59.478 59.478 59.040 0.438 18216
3018 1 7 . 1 1 54 54 TYR CB C 54 39.373 39.373 39.151 0.222 18216
3019 1 7 . 1 1 54 54 TYR H H 54 8.106 8.106 7.623 0.483 18216
3020 1 7 . 1 1 55 55 GLY N N 55 112.483 112.483 107.496 4.987 18216
3021 1 7 . 1 1 55 55 GLY C C 55 172.863 172.863 173.788 -0.925 18216
3022 1 7 . 1 1 55 55 GLY CA C 55 47.593 47.593 45.283 2.310 18216
3023 1 7 . 1 1 55 55 GLY H H 55 8.047 8.047 8.093 -0.046 18216
3024 1 7 . 1 1 56 56 ILE N N 56 112.002 112.002 112.625 -0.623 18216
3025 1 7 . 1 1 56 56 ILE HA H 56 4.692 4.692 4.547 0.145 18216
3026 1 7 . 1 1 56 56 ILE C C 56 171.179 171.179 173.459 -2.280 18216
3027 1 7 . 1 1 56 56 ILE CA C 56 58.776 58.776 58.240 0.536 18216
3028 1 7 . 1 1 56 56 ILE CB C 56 42.063 42.063 40.714 1.349 18216
3029 1 7 . 1 1 56 56 ILE H H 56 7.491 7.491 7.479 0.012 18216
3030 1 7 . 1 1 57 57 ASP N N 57 119.662 119.662 119.907 -0.245 18216
3031 1 7 . 1 1 57 57 ASP HA H 57 4.940 4.940 5.096 -0.156 18216
3032 1 7 . 1 1 57 57 ASP C C 57 174.016 174.016 174.700 -0.684 18216
3033 1 7 . 1 1 57 57 ASP CA C 57 52.946 52.946 53.749 -0.803 18216
3034 1 7 . 1 1 57 57 ASP CB C 57 43.115 43.115 43.452 -0.337 18216
3035 1 7 . 1 1 57 57 ASP H H 57 8.314 8.314 8.427 -0.113 18216
3036 1 7 . 1 1 58 58 ILE N N 58 125.903 125.903 121.874 4.029 18216
3037 1 7 . 1 1 58 58 ILE HA H 58 4.360 4.360 4.485 -0.125 18216
3038 1 7 . 1 1 58 58 ILE C C 58 170.591 170.591 174.002 -3.411 18216
3039 1 7 . 1 1 58 58 ILE CA C 58 59.354 59.354 58.113 1.241 18216
3040 1 7 . 1 1 58 58 ILE CB C 58 37.984 37.984 40.552 -2.568 18216
3041 1 7 . 1 1 58 58 ILE H H 58 9.901 9.901 8.588 1.313 18216
3042 1 7 . 1 1 59 59 PRO HA H 59 4.536 4.536 4.690 -0.154 18216
3043 1 7 . 1 1 59 59 PRO C C 59 175.502 175.502 177.023 -1.521 18216
3044 1 7 . 1 1 59 59 PRO CA C 59 62.523 62.523 61.953 0.570 18216
3045 1 7 . 1 1 59 59 PRO CB C 59 32.790 32.790 32.737 0.053 18216
3046 1 7 . 1 1 60 60 ASP N N 60 122.930 122.930 120.160 2.770 18216
3047 1 7 . 1 1 60 60 ASP HA H 60 4.233 4.233 4.272 -0.039 18216
3048 1 7 . 1 1 60 60 ASP C C 60 175.742 175.742 178.267 -2.525 18216
3049 1 7 . 1 1 60 60 ASP CA C 60 57.966 57.966 57.572 0.395 18216
3050 1 7 . 1 1 60 60 ASP CB C 60 40.410 40.410 40.402 0.008 18216
3051 1 7 . 1 1 60 60 ASP H H 60 8.880 8.880 8.731 0.149 18216
3052 1 7 . 1 1 61 61 ASP N N 61 115.336 115.336 118.261 -2.925 18216
3053 1 7 . 1 1 61 61 ASP HA H 61 4.342 4.342 4.438 -0.096 18216
3054 1 7 . 1 1 61 61 ASP C C 61 176.158 176.158 177.616 -1.458 18216
3055 1 7 . 1 1 61 61 ASP CA C 61 56.199 56.199 56.544 -0.345 18216
3056 1 7 . 1 1 61 61 ASP CB C 61 39.990 39.990 40.381 -0.391 18216
3057 1 7 . 1 1 61 61 ASP H H 61 8.736 8.736 8.755 -0.019 18216
3058 1 7 . 1 1 62 62 GLU N N 62 118.044 118.044 116.140 1.904 18216
3059 1 7 . 1 1 62 62 GLU HA H 62 4.237 4.237 4.383 -0.146 18216
3060 1 7 . 1 1 62 62 GLU C C 62 177.114 177.114 176.502 0.612 18216
3061 1 7 . 1 1 62 62 GLU CA C 62 57.354 57.354 55.030 2.324 18216
3062 1 7 . 1 1 62 62 GLU CB C 62 29.151 29.151 28.866 0.285 18216
3063 1 7 . 1 1 62 62 GLU H H 62 7.419 7.419 7.929 -0.510 18216
3064 1 7 . 1 1 63 63 ALA N N 63 123.014 123.014 122.568 0.446 18216
3065 1 7 . 1 1 63 63 ALA HA H 63 3.708 3.708 4.165 -0.457 18216
3066 1 7 . 1 1 63 63 ALA C C 63 177.936 177.936 177.258 0.678 18216
3067 1 7 . 1 1 63 63 ALA CA C 63 55.400 55.400 54.347 1.053 18216
3068 1 7 . 1 1 63 63 ALA CB C 63 18.245 18.245 18.732 -0.487 18216
3069 1 7 . 1 1 63 63 ALA H H 63 8.338 8.338 7.418 0.920 18216
3070 1 7 . 1 1 64 64 THR N N 64 107.396 107.396 105.007 2.389 18216
3071 1 7 . 1 1 64 64 THR HA H 64 4.038 4.038 4.247 -0.209 18216
3072 1 7 . 1 1 64 64 THR C C 64 173.058 173.058 175.445 -2.387 18216
3073 1 7 . 1 1 64 64 THR CA C 64 64.120 64.120 62.236 1.884 18216
3074 1 7 . 1 1 64 64 THR CB C 64 69.241 69.241 69.749 -0.507 18216
3075 1 7 . 1 1 64 64 THR H H 64 7.534 7.534 7.631 -0.097 18216
3076 1 7 . 1 1 65 65 LYS N N 65 118.248 118.248 120.792 -2.544 18216
3077 1 7 . 1 1 65 65 LYS HA H 65 4.233 4.233 4.361 -0.128 18216
3078 1 7 . 1 1 65 65 LYS C C 65 174.655 174.655 175.381 -0.726 18216
3079 1 7 . 1 1 65 65 LYS CA C 65 56.591 56.591 56.289 0.302 18216
3080 1 7 . 1 1 65 65 LYS CB C 65 33.090 33.090 32.397 0.693 18216
3081 1 7 . 1 1 65 65 LYS H H 65 7.201 7.201 7.627 -0.426 18216
3082 1 7 . 1 1 66 66 ILE N N 66 121.918 121.918 109.615 12.303 18216
3083 1 7 . 1 1 66 66 ILE HA H 66 3.872 3.872 4.616 -0.744 18216
3084 1 7 . 1 1 66 66 ILE C C 66 172.490 172.490 174.855 -2.365 18216
3085 1 7 . 1 1 66 66 ILE CA C 66 62.250 62.250 59.378 2.872 18216
3086 1 7 . 1 1 66 66 ILE CB C 66 37.132 37.132 37.625 -0.493 18216
3087 1 7 . 1 1 66 66 ILE H H 66 7.323 7.323 7.328 -0.005 18216
3088 1 7 . 1 1 67 67 LYS N N 67 126.438 126.438 121.339 5.099 18216
3089 1 7 . 1 1 67 67 LYS HA H 67 4.787 4.787 4.293 0.494 18216
3090 1 7 . 1 1 67 67 LYS C C 67 176.156 176.156 176.910 -0.754 18216
3091 1 7 . 1 1 67 67 LYS CA C 67 56.078 56.078 59.383 -3.304 18216
3092 1 7 . 1 1 67 67 LYS CB C 67 35.435 35.435 33.218 2.217 18216
3093 1 7 . 1 1 67 67 LYS H H 67 9.625 9.625 7.656 1.969 18216
3094 1 7 . 1 1 68 68 THR N N 68 111.201 111.201 111.373 -0.172 18216
3095 1 7 . 1 1 68 68 THR HA H 68 5.041 5.041 4.445 0.596 18216
3096 1 7 . 1 1 68 68 THR C C 68 173.425 173.425 175.856 -2.431 18216
3097 1 7 . 1 1 68 68 THR CA C 68 58.436 58.436 60.622 -2.186 18216
3098 1 7 . 1 1 68 68 THR CB C 68 73.683 73.683 69.779 3.904 18216
3099 1 7 . 1 1 68 68 THR H H 68 8.308 8.308 7.932 0.376 18216
3100 1 7 . 1 1 69 69 VAL N N 69 120.740 120.740 123.217 -2.477 18216
3101 1 7 . 1 1 69 69 VAL HA H 69 3.456 3.456 3.779 -0.323 18216
3102 1 7 . 1 1 69 69 VAL C C 69 176.481 176.481 177.617 -1.136 18216
3103 1 7 . 1 1 69 69 VAL CA C 69 67.506 67.506 65.230 2.276 18216
3104 1 7 . 1 1 69 69 VAL CB C 69 31.255 31.255 31.189 0.065 18216
3105 1 7 . 1 1 69 69 VAL H H 69 7.685 7.685 8.738 -1.053 18216
3106 1 7 . 1 1 70 70 SER N N 70 114.441 114.441 113.934 0.507 18216
3107 1 7 . 1 1 70 70 SER HA H 70 4.094 4.094 4.302 -0.208 18216
3108 1 7 . 1 1 70 70 SER C C 70 174.461 174.461 176.198 -1.737 18216
3109 1 7 . 1 1 70 70 SER CA C 70 61.222 61.222 60.825 0.397 18216
3110 1 7 . 1 1 70 70 SER CB C 70 62.761 62.761 62.945 -0.184 18216
3111 1 7 . 1 1 70 70 SER H H 70 8.866 8.866 8.477 0.389 18216
3112 1 7 . 1 1 71 71 ASP N N 71 121.065 121.065 122.571 -1.506 18216
3113 1 7 . 1 1 71 71 ASP HA H 71 4.434 4.434 4.613 -0.179 18216
3114 1 7 . 1 1 71 71 ASP C C 71 177.272 177.272 178.263 -0.991 18216
3115 1 7 . 1 1 71 71 ASP CA C 71 57.801 57.801 57.134 0.667 18216
3116 1 7 . 1 1 71 71 ASP CB C 71 41.976 41.976 40.832 1.144 18216
3117 1 7 . 1 1 71 71 ASP H H 71 8.094 8.094 7.758 0.336 18216
3118 1 7 . 1 1 72 72 VAL N N 72 120.351 120.351 121.049 -0.698 18216
3119 1 7 . 1 1 72 72 VAL HA H 72 3.706 3.706 3.726 -0.020 18216
3120 1 7 . 1 1 72 72 VAL C C 72 174.409 174.409 177.514 -3.105 18216
3121 1 7 . 1 1 72 72 VAL CA C 72 66.232 66.232 66.829 -0.597 18216
3122 1 7 . 1 1 72 72 VAL CB C 72 31.733 31.733 31.458 0.275 18216
3123 1 7 . 1 1 72 72 VAL H H 72 7.714 7.714 8.464 -0.750 18216
3124 1 7 . 1 1 73 73 ILE N N 73 120.114 120.114 117.211 2.903 18216
3125 1 7 . 1 1 73 73 ILE HA H 73 3.365 3.365 3.790 -0.425 18216
3126 1 7 . 1 1 73 73 ILE C C 73 175.111 175.111 178.556 -3.445 18216
3127 1 7 . 1 1 73 73 ILE CA C 73 66.114 66.114 63.108 3.006 18216
3128 1 7 . 1 1 73 73 ILE CB C 73 38.264 38.264 36.188 2.076 18216
3129 1 7 . 1 1 73 73 ILE H H 73 7.710 7.710 7.565 0.145 18216
3130 1 7 . 1 1 74 74 LYS N N 74 118.158 118.158 121.309 -3.151 18216
3131 1 7 . 1 1 74 74 LYS HA H 74 3.863 3.863 4.034 -0.171 18216
3132 1 7 . 1 1 74 74 LYS C C 74 175.814 175.814 178.697 -2.883 18216
3133 1 7 . 1 1 74 74 LYS CA C 74 59.868 59.868 59.374 0.494 18216
3134 1 7 . 1 1 74 74 LYS CB C 74 32.727 32.727 32.378 0.349 18216
3135 1 7 . 1 1 74 74 LYS H H 74 8.422 8.422 7.511 0.911 18216
3136 1 7 . 1 1 75 75 TYR N N 75 119.834 119.834 120.424 -0.590 18216
3137 1 7 . 1 1 75 75 TYR HA H 75 3.959 3.959 4.303 -0.344 18216
3138 1 7 . 1 1 75 75 TYR C C 75 176.122 176.122 178.054 -1.932 18216
3139 1 7 . 1 1 75 75 TYR CA C 75 62.025 62.025 61.427 0.598 18216
3140 1 7 . 1 1 75 75 TYR CB C 75 38.891 38.891 39.384 -0.493 18216
3141 1 7 . 1 1 75 75 TYR H H 75 7.701 7.701 8.088 -0.387 18216
3142 1 7 . 1 1 76 76 ILE N N 76 117.609 117.609 118.501 -0.892 18216
3143 1 7 . 1 1 76 76 ILE HA H 76 3.255 3.255 3.386 -0.131 18216
3144 1 7 . 1 1 76 76 ILE C C 76 176.730 176.730 177.432 -0.702 18216
3145 1 7 . 1 1 76 76 ILE CA C 76 65.383 65.383 65.147 0.236 18216
3146 1 7 . 1 1 76 76 ILE CB C 76 38.797 38.797 37.258 1.539 18216
3147 1 7 . 1 1 76 76 ILE H H 76 8.032 8.032 8.675 -0.643 18216
3148 1 7 . 1 1 77 77 LYS N N 77 117.750 117.750 120.851 -3.101 18216
3149 1 7 . 1 1 77 77 LYS HA H 77 3.804 3.804 3.857 -0.053 18216
3150 1 7 . 1 1 77 77 LYS C C 77 177.793 177.793 179.017 -1.224 18216
3151 1 7 . 1 1 77 77 LYS CA C 77 60.288 60.288 59.638 0.650 18216
3152 1 7 . 1 1 77 77 LYS CB C 77 32.504 32.504 31.845 0.659 18216
3153 1 7 . 1 1 77 77 LYS H H 77 8.353 8.353 7.597 0.756 18216
3154 1 7 . 1 1 78 78 GLU N N 78 117.517 117.517 117.248 0.269 18216
3155 1 7 . 1 1 78 78 GLU HA H 78 4.048 4.048 4.017 0.031 18216
3156 1 7 . 1 1 78 78 GLU C C 78 175.974 175.974 177.879 -1.905 18216
3157 1 7 . 1 1 78 78 GLU CA C 78 58.352 58.352 58.264 0.088 18216
3158 1 7 . 1 1 78 78 GLU CB C 78 29.598 29.598 29.276 0.322 18216
3159 1 7 . 1 1 78 78 GLU H H 78 8.057 8.057 7.906 0.151 18216
3160 1 7 . 1 1 79 79 ARG N N 79 117.613 117.613 117.815 -0.202 18216
3161 1 7 . 1 1 79 79 ARG HA H 79 4.271 4.271 3.997 0.274 18216
3162 1 7 . 1 1 79 79 ARG C C 79 174.583 174.583 176.363 -1.780 18216
3163 1 7 . 1 1 79 79 ARG CA C 79 55.965 55.965 56.491 -0.526 18216
3164 1 7 . 1 1 79 79 ARG CB C 79 30.171 30.171 30.500 -0.329 18216
3165 1 7 . 1 1 79 79 ARG H H 79 7.544 7.544 7.245 0.299 18216
3166 1 7 . 1 1 80 80 GLN N N 80 119.495 119.495 118.977 0.518 18216
3167 1 7 . 1 1 80 80 GLN HA H 80 4.400 4.400 4.222 0.178 18216
3168 1 7 . 1 1 80 80 GLN C C 80 173.178 173.178 175.449 -2.271 18216
3169 1 7 . 1 1 80 80 GLN CA C 80 56.114 56.114 56.437 -0.323 18216
3170 1 7 . 1 1 80 80 GLN CB C 80 29.391 29.391 28.684 0.707 18216
3171 1 7 . 1 1 80 80 GLN H H 80 7.675 7.675 7.794 -0.119 18216
3172 1 8 . 1 1 4 4 THR HA H 4 4.199 4.199 4.169 0.030 18216
3173 1 8 . 1 1 4 4 THR C C 4 172.396 172.396 173.776 -1.380 18216
3174 1 8 . 1 1 4 4 THR CA C 4 62.877 62.877 63.366 -0.489 18216
3175 1 8 . 1 1 4 4 THR CB C 4 69.501 69.501 68.589 0.912 18216
3176 1 8 . 1 1 5 5 ASP N N 5 123.982 123.982 119.844 4.138 18216
3177 1 8 . 1 1 5 5 ASP HA H 5 4.560 4.560 4.604 -0.044 18216
3178 1 8 . 1 1 5 5 ASP C C 5 174.716 174.716 177.859 -3.143 18216
3179 1 8 . 1 1 5 5 ASP CA C 5 54.733 54.733 55.845 -1.112 18216
3180 1 8 . 1 1 5 5 ASP CB C 5 41.451 41.451 41.252 0.199 18216
3181 1 8 . 1 1 5 5 ASP H H 5 8.457 8.457 8.462 -0.005 18216
3182 1 8 . 1 1 6 6 LYS N N 6 122.949 122.949 120.052 2.897 18216
3183 1 8 . 1 1 6 6 LYS HA H 6 4.141 4.141 4.141 -0.000 18216
3184 1 8 . 1 1 6 6 LYS C C 6 177.076 177.076 178.647 -1.571 18216
3185 1 8 . 1 1 6 6 LYS CA C 6 58.725 58.725 58.609 0.116 18216
3186 1 8 . 1 1 6 6 LYS CB C 6 32.481 32.481 31.784 0.697 18216
3187 1 8 . 1 1 6 6 LYS H H 6 8.421 8.421 8.376 0.045 18216
3188 1 8 . 1 1 7 7 ILE N N 7 121.024 121.024 118.395 2.629 18216
3189 1 8 . 1 1 7 7 ILE HA H 7 4.036 4.036 3.782 0.254 18216
3190 1 8 . 1 1 7 7 ILE C C 7 174.780 174.780 177.543 -2.763 18216
3191 1 8 . 1 1 7 7 ILE CA C 7 64.418 64.418 64.486 -0.067 18216
3192 1 8 . 1 1 7 7 ILE CB C 7 37.541 37.541 37.540 0.001 18216
3193 1 8 . 1 1 7 7 ILE H H 7 8.055 8.055 8.204 -0.149 18216
3194 1 8 . 1 1 8 8 GLU N N 8 119.901 119.901 119.111 0.790 18216
3195 1 8 . 1 1 8 8 GLU HA H 8 3.620 3.620 3.966 -0.346 18216
3196 1 8 . 1 1 8 8 GLU C C 8 175.403 175.403 178.845 -3.442 18216
3197 1 8 . 1 1 8 8 GLU CA C 8 60.226 60.226 59.562 0.664 18216
3198 1 8 . 1 1 8 8 GLU CB C 8 29.793 29.793 29.230 0.563 18216
3199 1 8 . 1 1 8 8 GLU H H 8 8.178 8.178 7.738 0.440 18216
3200 1 8 . 1 1 9 9 GLN N N 9 114.019 114.019 118.191 -4.172 18216
3201 1 8 . 1 1 9 9 GLN HA H 9 3.887 3.887 4.325 -0.438 18216
3202 1 8 . 1 1 9 9 GLN C C 9 176.383 176.383 178.206 -1.823 18216
3203 1 8 . 1 1 9 9 GLN CA C 9 59.031 59.031 57.429 1.602 18216
3204 1 8 . 1 1 9 9 GLN CB C 9 28.829 28.829 29.127 -0.298 18216
3205 1 8 . 1 1 9 9 GLN H H 9 7.923 7.923 7.758 0.165 18216
3206 1 8 . 1 1 10 10 LYS N N 10 119.999 119.999 120.992 -0.993 18216
3207 1 8 . 1 1 10 10 LYS HA H 10 4.182 4.182 4.172 0.010 18216
3208 1 8 . 1 1 10 10 LYS C C 10 176.671 176.671 177.789 -1.118 18216
3209 1 8 . 1 1 10 10 LYS CA C 10 58.067 58.067 58.065 0.003 18216
3210 1 8 . 1 1 10 10 LYS CB C 10 31.522 31.522 32.210 -0.688 18216
3211 1 8 . 1 1 10 10 LYS H H 10 7.783 7.783 8.110 -0.327 18216
3212 1 8 . 1 1 11 11 VAL N N 11 119.291 119.291 121.193 -1.902 18216
3213 1 8 . 1 1 11 11 VAL HA H 11 3.602 3.602 3.859 -0.257 18216
3214 1 8 . 1 1 11 11 VAL C C 11 176.092 176.092 176.844 -0.752 18216
3215 1 8 . 1 1 11 11 VAL CA C 11 67.715 67.715 65.286 2.429 18216
3216 1 8 . 1 1 11 11 VAL CB C 11 30.791 30.791 31.730 -0.939 18216
3217 1 8 . 1 1 11 11 VAL H H 11 8.928 8.928 7.728 1.200 18216
3218 1 8 . 1 1 12 12 ILE N N 12 119.163 119.163 119.778 -0.615 18216
3219 1 8 . 1 1 12 12 ILE HA H 12 3.413 3.413 3.742 -0.329 18216
3220 1 8 . 1 1 12 12 ILE C C 12 175.417 175.417 177.176 -1.759 18216
3221 1 8 . 1 1 12 12 ILE CA C 12 68.032 68.032 64.528 3.504 18216
3222 1 8 . 1 1 12 12 ILE CB C 12 37.135 37.135 37.812 -0.677 18216
3223 1 8 . 1 1 12 12 ILE H H 12 8.255 8.255 7.277 0.978 18216
3224 1 8 . 1 1 13 13 GLU N N 13 118.515 118.515 118.617 -0.102 18216
3225 1 8 . 1 1 13 13 GLU HA H 13 3.868 3.868 4.071 -0.203 18216
3226 1 8 . 1 1 13 13 GLU C C 13 177.514 177.514 177.728 -0.214 18216
3227 1 8 . 1 1 13 13 GLU CA C 13 60.145 60.145 58.962 1.183 18216
3228 1 8 . 1 1 13 13 GLU CB C 13 29.487 29.487 29.393 0.094 18216
3229 1 8 . 1 1 13 13 GLU H H 13 7.821 7.821 8.356 -0.535 18216
3230 1 8 . 1 1 14 14 MET N N 14 120.174 120.174 118.693 1.481 18216
3231 1 8 . 1 1 14 14 MET HA H 14 4.168 4.168 4.202 -0.034 18216
3232 1 8 . 1 1 14 14 MET C C 14 176.631 176.631 177.688 -1.057 18216
3233 1 8 . 1 1 14 14 MET CA C 14 59.409 59.409 58.375 1.034 18216
3234 1 8 . 1 1 14 14 MET CB C 14 33.931 33.931 33.018 0.913 18216
3235 1 8 . 1 1 14 14 MET H H 14 8.610 8.610 7.441 1.169 18216
3236 1 8 . 1 1 15 15 VAL N N 15 120.579 120.579 118.981 1.598 18216
3237 1 8 . 1 1 15 15 VAL HA H 15 3.441 3.441 3.578 -0.137 18216
3238 1 8 . 1 1 15 15 VAL C C 15 175.086 175.086 177.717 -2.631 18216
3239 1 8 . 1 1 15 15 VAL CA C 15 67.096 67.096 66.455 0.641 18216
3240 1 8 . 1 1 15 15 VAL CB C 15 31.481 31.481 30.803 0.678 18216
3241 1 8 . 1 1 15 15 VAL H H 15 8.975 8.975 8.087 0.888 18216
3242 1 8 . 1 1 16 16 ALA N N 16 121.102 121.102 120.686 0.416 18216
3243 1 8 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.374 -0.596 18216
3244 1 8 . 1 1 16 16 ALA C C 16 178.027 178.027 179.420 -1.393 18216
3245 1 8 . 1 1 16 16 ALA CA C 16 55.944 55.944 54.346 1.598 18216
3246 1 8 . 1 1 16 16 ALA CB C 16 18.234 18.234 18.542 -0.308 18216
3247 1 8 . 1 1 16 16 ALA H H 16 8.387 8.387 7.584 0.803 18216
3248 1 8 . 1 1 17 17 GLU N N 17 115.683 115.683 117.373 -1.690 18216
3249 1 8 . 1 1 17 17 GLU HA H 17 4.102 4.102 4.264 -0.162 18216
3250 1 8 . 1 1 17 17 GLU C C 17 177.810 177.810 177.922 -0.112 18216
3251 1 8 . 1 1 17 17 GLU CA C 17 59.241 59.241 57.094 2.147 18216
3252 1 8 . 1 1 17 17 GLU CB C 17 30.175 30.175 30.182 -0.007 18216
3253 1 8 . 1 1 17 17 GLU H H 17 8.043 8.043 8.018 0.025 18216
3254 1 8 . 1 1 18 18 LYS N N 18 116.582 116.582 119.046 -2.464 18216
3255 1 8 . 1 1 18 18 LYS HA H 18 4.186 4.186 3.963 0.223 18216
3256 1 8 . 1 1 18 18 LYS C C 18 175.949 175.949 176.944 -0.995 18216
3257 1 8 . 1 1 18 18 LYS CA C 18 57.029 57.029 59.186 -2.157 18216
3258 1 8 . 1 1 18 18 LYS CB C 18 31.479 31.479 32.830 -1.351 18216
3259 1 8 . 1 1 18 18 LYS H H 18 8.669 8.669 8.002 0.667 18216
3260 1 8 . 1 1 19 19 LEU N N 19 113.633 113.633 117.316 -3.683 18216
3261 1 8 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.308 0.183 18216
3262 1 8 . 1 1 19 19 LEU C C 19 174.261 174.261 175.215 -0.954 18216
3263 1 8 . 1 1 19 19 LEU CA C 19 54.230 54.230 52.894 1.336 18216
3264 1 8 . 1 1 19 19 LEU CB C 19 40.477 40.477 41.335 -0.858 18216
3265 1 8 . 1 1 19 19 LEU H H 19 8.226 8.226 7.128 1.098 18216
3266 1 8 . 1 1 20 20 ASN N N 20 117.866 117.866 116.742 1.124 18216
3267 1 8 . 1 1 20 20 ASN HA H 20 4.416 4.416 4.463 -0.047 18216
3268 1 8 . 1 1 20 20 ASN C C 20 172.278 172.278 174.093 -1.815 18216
3269 1 8 . 1 1 20 20 ASN CA C 20 54.058 54.058 54.290 -0.232 18216
3270 1 8 . 1 1 20 20 ASN CB C 20 36.788 36.788 36.748 0.040 18216
3271 1 8 . 1 1 20 20 ASN H H 20 7.616 7.616 8.039 -0.423 18216
3272 1 8 . 1 1 21 21 LYS N N 21 117.035 117.035 120.268 -3.233 18216
3273 1 8 . 1 1 21 21 LYS HA H 21 4.717 4.717 4.433 0.284 18216
3274 1 8 . 1 1 21 21 LYS C C 21 173.009 173.009 175.706 -2.697 18216
3275 1 8 . 1 1 21 21 LYS CA C 21 52.589 52.589 54.970 -2.381 18216
3276 1 8 . 1 1 21 21 LYS CB C 21 36.114 36.114 34.852 1.262 18216
3277 1 8 . 1 1 21 21 LYS H H 21 8.473 8.473 7.575 0.898 18216
3278 1 8 . 1 1 22 22 ASP N N 22 120.954 120.954 126.832 -5.878 18216
3279 1 8 . 1 1 22 22 ASP HA H 22 4.422 4.422 4.459 -0.037 18216
3280 1 8 . 1 1 22 22 ASP C C 22 175.257 175.257 177.521 -2.264 18216
3281 1 8 . 1 1 22 22 ASP CA C 22 54.220 54.220 55.299 -1.079 18216
3282 1 8 . 1 1 22 22 ASP CB C 22 41.895 41.895 42.477 -0.582 18216
3283 1 8 . 1 1 22 22 ASP H H 22 8.261 8.261 8.899 -0.638 18216
3284 1 8 . 1 1 23 23 LYS N N 23 125.865 125.865 124.401 1.464 18216
3285 1 8 . 1 1 23 23 LYS HA H 23 3.742 3.742 4.081 -0.339 18216
3286 1 8 . 1 1 23 23 LYS C C 23 175.599 175.599 177.117 -1.518 18216
3287 1 8 . 1 1 23 23 LYS CA C 23 59.607 59.607 58.470 1.137 18216
3288 1 8 . 1 1 23 23 LYS CB C 23 32.184 32.184 32.169 0.015 18216
3289 1 8 . 1 1 23 23 LYS H H 23 8.697 8.697 8.624 0.073 18216
3290 1 8 . 1 1 24 24 ALA N N 24 118.731 118.731 120.185 -1.454 18216
3291 1 8 . 1 1 24 24 ALA HA H 24 4.110 4.110 4.299 -0.189 18216
3292 1 8 . 1 1 24 24 ALA C C 24 177.449 177.449 178.008 -0.559 18216
3293 1 8 . 1 1 24 24 ALA CA C 24 54.192 54.192 53.087 1.105 18216
3294 1 8 . 1 1 24 24 ALA CB C 24 19.018 19.018 19.339 -0.321 18216
3295 1 8 . 1 1 24 24 ALA H H 24 8.509 8.509 7.876 0.633 18216
3296 1 8 . 1 1 25 25 ILE N N 25 110.020 110.020 116.157 -6.137 18216
3297 1 8 . 1 1 25 25 ILE HA H 25 4.406 4.406 4.242 0.164 18216
3298 1 8 . 1 1 25 25 ILE C C 25 173.524 173.524 175.510 -1.986 18216
3299 1 8 . 1 1 25 25 ILE CA C 25 60.373 60.373 61.452 -1.079 18216
3300 1 8 . 1 1 25 25 ILE CB C 25 38.423 38.423 39.847 -1.424 18216
3301 1 8 . 1 1 25 25 ILE H H 25 7.562 7.562 7.765 -0.203 18216
3302 1 8 . 1 1 26 26 ILE N N 26 122.932 122.932 122.166 0.766 18216
3303 1 8 . 1 1 26 26 ILE HA H 26 3.961 3.961 3.921 0.040 18216
3304 1 8 . 1 1 26 26 ILE C C 26 172.610 172.610 175.810 -3.200 18216
3305 1 8 . 1 1 26 26 ILE CA C 26 61.520 61.520 62.116 -0.596 18216
3306 1 8 . 1 1 26 26 ILE CB C 26 37.367 37.367 35.576 1.791 18216
3307 1 8 . 1 1 26 26 ILE H H 26 7.377 7.377 7.594 -0.217 18216
3308 1 8 . 1 1 27 27 THR N N 27 116.747 116.747 119.606 -2.859 18216
3309 1 8 . 1 1 27 27 THR HA H 27 4.857 4.857 4.698 0.159 18216
3310 1 8 . 1 1 27 27 THR C C 27 174.186 174.186 175.019 -0.833 18216
3311 1 8 . 1 1 27 27 THR CA C 27 58.917 58.917 60.376 -1.459 18216
3312 1 8 . 1 1 27 27 THR CB C 27 72.257 72.257 71.648 0.609 18216
3313 1 8 . 1 1 27 27 THR H H 27 8.549 8.549 8.383 0.166 18216
3314 1 8 . 1 1 28 28 THR N N 28 110.578 110.578 116.237 -5.659 18216
3315 1 8 . 1 1 28 28 THR HA H 28 3.743 3.743 4.043 -0.300 18216
3316 1 8 . 1 1 28 28 THR C C 28 172.642 172.642 175.710 -3.068 18216
3317 1 8 . 1 1 28 28 THR CA C 28 65.306 65.306 64.851 0.455 18216
3318 1 8 . 1 1 28 28 THR CB C 28 67.621 67.621 68.992 -1.371 18216
3319 1 8 . 1 1 28 28 THR H H 28 8.817 8.817 8.652 0.165 18216
3320 1 8 . 1 1 29 29 ASP N N 29 117.036 117.036 117.822 -0.786 18216
3321 1 8 . 1 1 29 29 ASP HA H 29 4.719 4.719 4.729 -0.010 18216
3322 1 8 . 1 1 29 29 ASP C C 29 174.246 174.246 175.697 -1.451 18216
3323 1 8 . 1 1 29 29 ASP CA C 29 54.208 54.208 52.687 1.521 18216
3324 1 8 . 1 1 29 29 ASP CB C 29 41.567 41.567 40.793 0.774 18216
3325 1 8 . 1 1 29 29 ASP H H 29 7.777 7.777 8.160 -0.383 18216
3326 1 8 . 1 1 30 30 SER N N 30 117.171 117.171 116.459 0.712 18216
3327 1 8 . 1 1 30 30 SER HA H 30 4.063 4.063 4.296 -0.233 18216
3328 1 8 . 1 1 30 30 SER C C 30 171.138 171.138 174.569 -3.431 18216
3329 1 8 . 1 1 30 30 SER CA C 30 61.581 61.581 59.941 1.640 18216
3330 1 8 . 1 1 30 30 SER CB C 30 63.349 63.349 63.477 -0.128 18216
3331 1 8 . 1 1 30 30 SER H H 30 7.619 7.619 7.860 -0.241 18216
3332 1 8 . 1 1 31 31 ARG N N 31 124.648 124.648 127.166 -2.518 18216
3333 1 8 . 1 1 31 31 ARG HA H 31 4.644 4.644 4.323 0.321 18216
3334 1 8 . 1 1 31 31 ARG C C 31 176.660 176.660 176.716 -0.056 18216
3335 1 8 . 1 1 31 31 ARG CA C 31 54.323 54.323 54.671 -0.348 18216
3336 1 8 . 1 1 31 31 ARG CB C 31 30.539 30.539 29.552 0.987 18216
3337 1 8 . 1 1 31 31 ARG H H 31 10.379 10.379 8.606 1.773 18216
3338 1 8 . 1 1 32 32 PHE N N 32 124.068 124.068 118.201 5.867 18216
3339 1 8 . 1 1 32 32 PHE HA H 32 3.964 3.964 4.159 -0.195 18216
3340 1 8 . 1 1 32 32 PHE C C 32 173.376 173.376 177.338 -3.962 18216
3341 1 8 . 1 1 32 32 PHE CA C 32 62.578 62.578 60.134 2.444 18216
3342 1 8 . 1 1 32 32 PHE CB C 32 38.147 38.147 38.059 0.088 18216
3343 1 8 . 1 1 32 32 PHE H H 32 7.833 7.833 7.618 0.215 18216
3344 1 8 . 1 1 33 33 ILE N N 33 116.395 116.395 120.042 -3.647 18216
3345 1 8 . 1 1 33 33 ILE HA H 33 4.044 4.044 3.828 0.216 18216
3346 1 8 . 1 1 33 33 ILE C C 33 178.005 178.005 177.319 0.686 18216
3347 1 8 . 1 1 33 33 ILE CA C 33 64.293 64.293 63.700 0.593 18216
3348 1 8 . 1 1 33 33 ILE CB C 33 36.905 36.905 37.922 -1.017 18216
3349 1 8 . 1 1 33 33 ILE H H 33 8.696 8.696 7.495 1.201 18216
3350 1 8 . 1 1 34 34 GLU N N 34 117.346 117.346 118.853 -1.507 18216
3351 1 8 . 1 1 34 34 GLU HA H 34 3.859 3.859 4.147 -0.288 18216
3352 1 8 . 1 1 34 34 GLU C C 34 175.723 175.723 178.959 -3.236 18216
3353 1 8 . 1 1 34 34 GLU CA C 34 62.485 62.485 59.018 3.467 18216
3354 1 8 . 1 1 34 34 GLU CB C 34 29.032 29.032 29.759 -0.727 18216
3355 1 8 . 1 1 34 34 GLU H H 34 9.408 9.408 7.817 1.591 18216
3356 1 8 . 1 1 35 35 ASP N N 35 112.053 112.053 120.433 -8.380 18216
3357 1 8 . 1 1 35 35 ASP HA H 35 5.026 5.026 4.389 0.637 18216
3358 1 8 . 1 1 35 35 ASP C C 35 175.237 175.237 177.970 -2.733 18216
3359 1 8 . 1 1 35 35 ASP CA C 35 55.996 55.996 57.082 -1.086 18216
3360 1 8 . 1 1 35 35 ASP CB C 35 41.508 41.508 41.012 0.496 18216
3361 1 8 . 1 1 35 35 ASP H H 35 7.527 7.527 8.454 -0.927 18216
3362 1 8 . 1 1 36 36 LEU N N 36 115.898 115.898 118.790 -2.892 18216
3363 1 8 . 1 1 36 36 LEU HA H 36 4.274 4.274 4.331 -0.057 18216
3364 1 8 . 1 1 36 36 LEU C C 36 172.955 172.955 176.333 -3.378 18216
3365 1 8 . 1 1 36 36 LEU CA C 36 54.739 54.739 55.124 -0.385 18216
3366 1 8 . 1 1 36 36 LEU CB C 36 40.891 40.891 42.693 -1.802 18216
3367 1 8 . 1 1 36 36 LEU H H 36 7.648 7.648 7.696 -0.048 18216
3368 1 8 . 1 1 37 37 LYS N N 37 114.307 114.307 116.634 -2.327 18216
3369 1 8 . 1 1 37 37 LYS HA H 37 4.207 4.207 4.080 0.127 18216
3370 1 8 . 1 1 37 37 LYS C C 37 174.539 174.539 175.283 -0.744 18216
3371 1 8 . 1 1 37 37 LYS CA C 37 55.942 55.942 56.831 -0.889 18216
3372 1 8 . 1 1 37 37 LYS CB C 37 28.513 28.513 29.239 -0.726 18216
3373 1 8 . 1 1 37 37 LYS H H 37 7.247 7.247 7.460 -0.213 18216
3374 1 8 . 1 1 38 38 ALA N N 38 121.453 121.453 122.879 -1.426 18216
3375 1 8 . 1 1 38 38 ALA HA H 38 4.392 4.392 4.175 0.217 18216
3376 1 8 . 1 1 38 38 ALA C C 38 175.605 175.605 177.182 -1.577 18216
3377 1 8 . 1 1 38 38 ALA CA C 38 52.008 52.008 52.379 -0.371 18216
3378 1 8 . 1 1 38 38 ALA CB C 38 20.568 20.568 19.442 1.126 18216
3379 1 8 . 1 1 38 38 ALA H H 38 8.442 8.442 7.831 0.611 18216
3380 1 8 . 1 1 39 39 ASP N N 39 123.391 123.391 125.252 -1.861 18216
3381 1 8 . 1 1 39 39 ASP HA H 39 4.782 4.782 4.458 0.324 18216
3382 1 8 . 1 1 39 39 ASP C C 39 175.798 175.798 177.252 -1.454 18216
3383 1 8 . 1 1 39 39 ASP CA C 39 52.823 52.823 54.400 -1.577 18216
3384 1 8 . 1 1 39 39 ASP CB C 39 42.613 42.613 41.559 1.054 18216
3385 1 8 . 1 1 39 39 ASP H H 39 9.038 9.038 8.239 0.799 18216
3386 1 8 . 1 1 40 40 SER N N 40 116.961 116.961 114.495 2.466 18216
3387 1 8 . 1 1 40 40 SER HA H 40 4.226 4.226 4.227 -0.001 18216
3388 1 8 . 1 1 40 40 SER C C 40 174.197 174.197 175.836 -1.639 18216
3389 1 8 . 1 1 40 40 SER CA C 40 60.234 60.234 60.712 -0.478 18216
3390 1 8 . 1 1 40 40 SER CB C 40 65.619 65.619 63.476 2.143 18216
3391 1 8 . 1 1 40 40 SER H H 40 8.936 8.936 8.489 0.447 18216
3392 1 8 . 1 1 41 41 LEU N N 41 124.152 124.152 117.546 6.606 18216
3393 1 8 . 1 1 41 41 LEU HA H 41 4.187 4.187 4.540 -0.353 18216
3394 1 8 . 1 1 41 41 LEU C C 41 175.316 175.316 177.308 -1.992 18216
3395 1 8 . 1 1 41 41 LEU CA C 41 57.873 57.873 56.508 1.365 18216
3396 1 8 . 1 1 41 41 LEU CB C 41 41.085 41.085 40.761 0.324 18216
3397 1 8 . 1 1 41 41 LEU H H 41 8.279 8.279 7.861 0.418 18216
3398 1 8 . 1 1 42 42 ASP N N 42 120.193 120.193 120.440 -0.247 18216
3399 1 8 . 1 1 42 42 ASP HA H 42 4.415 4.415 4.459 -0.044 18216
3400 1 8 . 1 1 42 42 ASP C C 42 176.858 176.858 178.015 -1.157 18216
3401 1 8 . 1 1 42 42 ASP CA C 42 57.144 57.144 57.236 -0.092 18216
3402 1 8 . 1 1 42 42 ASP CB C 42 40.895 40.895 40.745 0.150 18216
3403 1 8 . 1 1 42 42 ASP H H 42 8.002 8.002 8.149 -0.147 18216
3404 1 8 . 1 1 43 43 THR N N 43 112.919 112.919 115.209 -2.290 18216
3405 1 8 . 1 1 43 43 THR HA H 43 3.554 3.554 3.949 -0.395 18216
3406 1 8 . 1 1 43 43 THR CA C 43 66.658 66.658 65.915 0.743 18216
3407 1 8 . 1 1 43 43 THR CB C 43 68.423 68.423 68.534 -0.111 18216
3408 1 8 . 1 1 43 43 THR H H 43 7.939 7.939 7.538 0.401 18216
3409 1 8 . 1 1 44 44 VAL HA H 44 3.645 3.645 3.602 0.043 18216
3410 1 8 . 1 1 44 44 VAL C C 44 176.576 176.576 178.019 -1.443 18216
3411 1 8 . 1 1 44 44 VAL CA C 44 66.873 66.873 66.607 0.266 18216
3412 1 8 . 1 1 44 44 VAL CB C 44 31.658 31.658 31.108 0.551 18216
3413 1 8 . 1 1 45 45 GLU N N 45 119.120 119.120 119.394 -0.274 18216
3414 1 8 . 1 1 45 45 GLU HA H 45 4.060 4.060 4.177 -0.117 18216
3415 1 8 . 1 1 45 45 GLU C C 45 178.332 178.332 179.088 -0.756 18216
3416 1 8 . 1 1 45 45 GLU CA C 45 59.618 59.618 58.781 0.837 18216
3417 1 8 . 1 1 45 45 GLU CB C 45 29.229 29.229 29.689 -0.460 18216
3418 1 8 . 1 1 45 45 GLU H H 45 7.867 7.867 7.635 0.232 18216
3419 1 8 . 1 1 46 46 LEU N N 46 121.527 121.527 119.963 1.564 18216
3420 1 8 . 1 1 46 46 LEU HA H 46 3.997 3.997 3.928 0.069 18216
3421 1 8 . 1 1 46 46 LEU C C 46 175.472 175.472 179.834 -4.362 18216
3422 1 8 . 1 1 46 46 LEU CA C 46 58.391 58.391 58.066 0.325 18216
3423 1 8 . 1 1 46 46 LEU CB C 46 41.312 41.312 41.949 -0.637 18216
3424 1 8 . 1 1 46 46 LEU H H 46 8.200 8.200 8.494 -0.294 18216
3425 1 8 . 1 1 47 47 MET N N 47 117.675 117.675 115.946 1.729 18216
3426 1 8 . 1 1 47 47 MET HA H 47 4.141 4.141 4.061 0.080 18216
3427 1 8 . 1 1 47 47 MET C C 47 177.030 177.030 178.341 -1.311 18216
3428 1 8 . 1 1 47 47 MET CA C 47 57.924 57.924 58.371 -0.447 18216
3429 1 8 . 1 1 47 47 MET CB C 47 31.672 31.672 32.331 -0.659 18216
3430 1 8 . 1 1 47 47 MET H H 47 8.330 8.330 8.218 0.112 18216
3431 1 8 . 1 1 48 48 MET N N 48 117.614 117.614 121.310 -3.696 18216
3432 1 8 . 1 1 48 48 MET HA H 48 4.343 4.343 4.460 -0.117 18216
3433 1 8 . 1 1 48 48 MET C C 48 176.562 176.562 177.457 -0.895 18216
3434 1 8 . 1 1 48 48 MET CA C 48 58.942 58.942 57.630 1.312 18216
3435 1 8 . 1 1 48 48 MET CB C 48 32.951 32.951 31.967 0.984 18216
3436 1 8 . 1 1 48 48 MET H H 48 8.148 8.148 7.626 0.522 18216
3437 1 8 . 1 1 49 49 ALA N N 49 121.729 121.729 121.659 0.070 18216
3438 1 8 . 1 1 49 49 ALA HA H 49 4.220 4.220 4.093 0.127 18216
3439 1 8 . 1 1 49 49 ALA C C 49 179.111 179.111 179.749 -0.638 18216
3440 1 8 . 1 1 49 49 ALA CA C 49 54.902 54.902 54.735 0.167 18216
3441 1 8 . 1 1 49 49 ALA CB C 49 17.956 17.956 17.911 0.045 18216
3442 1 8 . 1 1 49 49 ALA H H 49 7.890 7.890 7.799 0.091 18216
3443 1 8 . 1 1 50 50 ILE N N 50 122.294 122.294 116.426 5.868 18216
3444 1 8 . 1 1 50 50 ILE HA H 50 3.716 3.716 4.027 -0.311 18216
3445 1 8 . 1 1 50 50 ILE C C 50 175.507 175.507 178.001 -2.494 18216
3446 1 8 . 1 1 50 50 ILE CA C 50 64.908 64.908 62.058 2.850 18216
3447 1 8 . 1 1 50 50 ILE CB C 50 36.664 36.664 36.792 -0.128 18216
3448 1 8 . 1 1 50 50 ILE H H 50 8.428 8.428 8.209 0.219 18216
3449 1 8 . 1 1 51 51 GLU N N 51 120.060 120.060 120.675 -0.615 18216
3450 1 8 . 1 1 51 51 GLU HA H 51 4.059 4.059 4.349 -0.290 18216
3451 1 8 . 1 1 51 51 GLU C C 51 178.398 178.398 179.268 -0.870 18216
3452 1 8 . 1 1 51 51 GLU CA C 51 60.419 60.419 59.254 1.165 18216
3453 1 8 . 1 1 51 51 GLU CB C 51 30.212 30.212 30.017 0.195 18216
3454 1 8 . 1 1 51 51 GLU H H 51 8.281 8.281 8.074 0.207 18216
3455 1 8 . 1 1 52 52 VAL N N 52 117.342 117.342 117.459 -0.117 18216
3456 1 8 . 1 1 52 52 VAL HA H 52 3.725 3.725 3.930 -0.205 18216
3457 1 8 . 1 1 52 52 VAL C C 52 176.701 176.701 177.187 -0.486 18216
3458 1 8 . 1 1 52 52 VAL CA C 52 65.682 65.682 65.292 0.390 18216
3459 1 8 . 1 1 52 52 VAL CB C 52 32.278 32.278 31.207 1.071 18216
3460 1 8 . 1 1 52 52 VAL H H 52 7.714 7.714 7.636 0.078 18216
3461 1 8 . 1 1 53 53 GLU N N 53 120.657 120.657 120.466 0.191 18216
3462 1 8 . 1 1 53 53 GLU HA H 53 3.876 3.876 4.143 -0.267 18216
3463 1 8 . 1 1 53 53 GLU C C 53 175.734 175.734 178.333 -2.599 18216
3464 1 8 . 1 1 53 53 GLU CA C 53 58.823 58.823 57.984 0.839 18216
3465 1 8 . 1 1 53 53 GLU CB C 53 29.817 29.817 29.637 0.180 18216
3466 1 8 . 1 1 53 53 GLU H H 53 8.191 8.191 7.878 0.313 18216
3467 1 8 . 1 1 54 54 TYR N N 54 111.170 111.170 117.863 -6.693 18216
3468 1 8 . 1 1 54 54 TYR HA H 54 4.483 4.483 4.397 0.086 18216
3469 1 8 . 1 1 54 54 TYR C C 54 174.031 174.031 176.910 -2.879 18216
3470 1 8 . 1 1 54 54 TYR CA C 54 59.478 59.478 59.091 0.387 18216
3471 1 8 . 1 1 54 54 TYR CB C 54 39.373 39.373 39.352 0.021 18216
3472 1 8 . 1 1 54 54 TYR H H 54 8.106 8.106 7.641 0.465 18216
3473 1 8 . 1 1 55 55 GLY N N 55 112.483 112.483 108.150 4.333 18216
3474 1 8 . 1 1 55 55 GLY C C 55 172.863 172.863 173.823 -0.960 18216
3475 1 8 . 1 1 55 55 GLY CA C 55 47.593 47.593 45.545 2.048 18216
3476 1 8 . 1 1 55 55 GLY H H 55 8.047 8.047 8.034 0.013 18216
3477 1 8 . 1 1 56 56 ILE N N 56 112.002 112.002 114.030 -2.028 18216
3478 1 8 . 1 1 56 56 ILE HA H 56 4.692 4.692 4.593 0.099 18216
3479 1 8 . 1 1 56 56 ILE C C 56 171.179 171.179 174.211 -3.032 18216
3480 1 8 . 1 1 56 56 ILE CA C 56 58.776 58.776 58.327 0.449 18216
3481 1 8 . 1 1 56 56 ILE CB C 56 42.063 42.063 41.083 0.980 18216
3482 1 8 . 1 1 56 56 ILE H H 56 7.491 7.491 7.346 0.145 18216
3483 1 8 . 1 1 57 57 ASP N N 57 119.662 119.662 123.111 -3.449 18216
3484 1 8 . 1 1 57 57 ASP HA H 57 4.940 4.940 4.784 0.156 18216
3485 1 8 . 1 1 57 57 ASP C C 57 174.016 174.016 174.993 -0.977 18216
3486 1 8 . 1 1 57 57 ASP CA C 57 52.946 52.946 55.044 -2.099 18216
3487 1 8 . 1 1 57 57 ASP CB C 57 43.115 43.115 41.414 1.701 18216
3488 1 8 . 1 1 57 57 ASP H H 57 8.314 8.314 8.568 -0.254 18216
3489 1 8 . 1 1 58 58 ILE N N 58 125.903 125.903 124.272 1.631 18216
3490 1 8 . 1 1 58 58 ILE HA H 58 4.360 4.360 4.492 -0.132 18216
3491 1 8 . 1 1 58 58 ILE C C 58 170.591 170.591 173.745 -3.154 18216
3492 1 8 . 1 1 58 58 ILE CA C 58 59.354 59.354 58.633 0.721 18216
3493 1 8 . 1 1 58 58 ILE CB C 58 37.984 37.984 39.966 -1.982 18216
3494 1 8 . 1 1 58 58 ILE H H 58 9.901 9.901 8.246 1.655 18216
3495 1 8 . 1 1 59 59 PRO HA H 59 4.536 4.536 4.684 -0.148 18216
3496 1 8 . 1 1 59 59 PRO C C 59 175.502 175.502 177.091 -1.589 18216
3497 1 8 . 1 1 59 59 PRO CA C 59 62.523 62.523 61.931 0.592 18216
3498 1 8 . 1 1 59 59 PRO CB C 59 32.790 32.790 32.685 0.105 18216
3499 1 8 . 1 1 60 60 ASP N N 60 122.930 122.930 120.200 2.730 18216
3500 1 8 . 1 1 60 60 ASP HA H 60 4.233 4.233 4.251 -0.018 18216
3501 1 8 . 1 1 60 60 ASP C C 60 175.742 175.742 178.241 -2.499 18216
3502 1 8 . 1 1 60 60 ASP CA C 60 57.966 57.966 57.582 0.384 18216
3503 1 8 . 1 1 60 60 ASP CB C 60 40.410 40.410 40.317 0.093 18216
3504 1 8 . 1 1 60 60 ASP H H 60 8.880 8.880 8.668 0.212 18216
3505 1 8 . 1 1 61 61 ASP N N 61 115.336 115.336 118.992 -3.656 18216
3506 1 8 . 1 1 61 61 ASP HA H 61 4.342 4.342 4.415 -0.073 18216
3507 1 8 . 1 1 61 61 ASP C C 61 176.158 176.158 177.613 -1.455 18216
3508 1 8 . 1 1 61 61 ASP CA C 61 56.199 56.199 56.663 -0.464 18216
3509 1 8 . 1 1 61 61 ASP CB C 61 39.990 39.990 40.395 -0.405 18216
3510 1 8 . 1 1 61 61 ASP H H 61 8.736 8.736 8.738 -0.002 18216
3511 1 8 . 1 1 62 62 GLU N N 62 118.044 118.044 116.131 1.913 18216
3512 1 8 . 1 1 62 62 GLU HA H 62 4.237 4.237 4.465 -0.228 18216
3513 1 8 . 1 1 62 62 GLU C C 62 177.114 177.114 176.611 0.503 18216
3514 1 8 . 1 1 62 62 GLU CA C 62 57.354 57.354 55.130 2.224 18216
3515 1 8 . 1 1 62 62 GLU CB C 62 29.151 29.151 29.104 0.047 18216
3516 1 8 . 1 1 62 62 GLU H H 62 7.419 7.419 7.947 -0.528 18216
3517 1 8 . 1 1 63 63 ALA N N 63 123.014 123.014 122.507 0.507 18216
3518 1 8 . 1 1 63 63 ALA HA H 63 3.708 3.708 4.126 -0.418 18216
3519 1 8 . 1 1 63 63 ALA C C 63 177.936 177.936 177.236 0.700 18216
3520 1 8 . 1 1 63 63 ALA CA C 63 55.400 55.400 54.301 1.099 18216
3521 1 8 . 1 1 63 63 ALA CB C 63 18.245 18.245 18.703 -0.458 18216
3522 1 8 . 1 1 63 63 ALA H H 63 8.338 8.338 7.529 0.809 18216
3523 1 8 . 1 1 64 64 THR N N 64 107.396 107.396 105.303 2.093 18216
3524 1 8 . 1 1 64 64 THR HA H 64 4.038 4.038 4.271 -0.233 18216
3525 1 8 . 1 1 64 64 THR C C 64 173.058 173.058 175.713 -2.655 18216
3526 1 8 . 1 1 64 64 THR CA C 64 64.120 64.120 62.454 1.666 18216
3527 1 8 . 1 1 64 64 THR CB C 64 69.241 69.241 69.823 -0.582 18216
3528 1 8 . 1 1 64 64 THR H H 64 7.534 7.534 7.648 -0.114 18216
3529 1 8 . 1 1 65 65 LYS N N 65 118.248 118.248 120.561 -2.313 18216
3530 1 8 . 1 1 65 65 LYS HA H 65 4.233 4.233 4.259 -0.026 18216
3531 1 8 . 1 1 65 65 LYS C C 65 174.655 174.655 175.341 -0.686 18216
3532 1 8 . 1 1 65 65 LYS CA C 65 56.591 56.591 57.500 -0.909 18216
3533 1 8 . 1 1 65 65 LYS CB C 65 33.090 33.090 32.785 0.305 18216
3534 1 8 . 1 1 65 65 LYS H H 65 7.201 7.201 7.526 -0.325 18216
3535 1 8 . 1 1 66 66 ILE N N 66 121.918 121.918 110.319 11.599 18216
3536 1 8 . 1 1 66 66 ILE HA H 66 3.872 3.872 4.523 -0.651 18216
3537 1 8 . 1 1 66 66 ILE C C 66 172.490 172.490 174.837 -2.347 18216
3538 1 8 . 1 1 66 66 ILE CA C 66 62.250 62.250 58.914 3.336 18216
3539 1 8 . 1 1 66 66 ILE CB C 66 37.132 37.132 37.249 -0.117 18216
3540 1 8 . 1 1 66 66 ILE H H 66 7.323 7.323 7.354 -0.031 18216
3541 1 8 . 1 1 67 67 LYS N N 67 126.438 126.438 121.177 5.261 18216
3542 1 8 . 1 1 67 67 LYS HA H 67 4.787 4.787 4.240 0.547 18216
3543 1 8 . 1 1 67 67 LYS C C 67 176.156 176.156 177.241 -1.085 18216
3544 1 8 . 1 1 67 67 LYS CA C 67 56.078 56.078 58.890 -2.812 18216
3545 1 8 . 1 1 67 67 LYS CB C 67 35.435 35.435 33.278 2.157 18216
3546 1 8 . 1 1 67 67 LYS H H 67 9.625 9.625 7.552 2.073 18216
3547 1 8 . 1 1 68 68 THR N N 68 111.201 111.201 111.038 0.163 18216
3548 1 8 . 1 1 68 68 THR HA H 68 5.041 5.041 4.462 0.579 18216
3549 1 8 . 1 1 68 68 THR C C 68 173.425 173.425 175.127 -1.702 18216
3550 1 8 . 1 1 68 68 THR CA C 68 58.436 58.436 61.019 -2.583 18216
3551 1 8 . 1 1 68 68 THR CB C 68 73.683 73.683 70.672 3.011 18216
3552 1 8 . 1 1 68 68 THR H H 68 8.308 8.308 7.776 0.532 18216
3553 1 8 . 1 1 69 69 VAL N N 69 120.740 120.740 120.757 -0.017 18216
3554 1 8 . 1 1 69 69 VAL HA H 69 3.456 3.456 3.892 -0.436 18216
3555 1 8 . 1 1 69 69 VAL C C 69 176.481 176.481 177.760 -1.279 18216
3556 1 8 . 1 1 69 69 VAL CA C 69 67.506 67.506 65.290 2.216 18216
3557 1 8 . 1 1 69 69 VAL CB C 69 31.255 31.255 30.815 0.440 18216
3558 1 8 . 1 1 69 69 VAL H H 69 7.685 7.685 8.514 -0.830 18216
3559 1 8 . 1 1 70 70 SER N N 70 114.441 114.441 115.551 -1.110 18216
3560 1 8 . 1 1 70 70 SER HA H 70 4.094 4.094 4.274 -0.180 18216
3561 1 8 . 1 1 70 70 SER C C 70 174.461 174.461 176.038 -1.577 18216
3562 1 8 . 1 1 70 70 SER CA C 70 61.222 61.222 61.148 0.074 18216
3563 1 8 . 1 1 70 70 SER CB C 70 62.761 62.761 63.204 -0.443 18216
3564 1 8 . 1 1 70 70 SER H H 70 8.866 8.866 8.390 0.476 18216
3565 1 8 . 1 1 71 71 ASP N N 71 121.065 121.065 123.749 -2.684 18216
3566 1 8 . 1 1 71 71 ASP HA H 71 4.434 4.434 4.635 -0.201 18216
3567 1 8 . 1 1 71 71 ASP C C 71 177.272 177.272 177.964 -0.692 18216
3568 1 8 . 1 1 71 71 ASP CA C 71 57.801 57.801 57.326 0.475 18216
3569 1 8 . 1 1 71 71 ASP CB C 71 41.976 41.976 40.546 1.430 18216
3570 1 8 . 1 1 71 71 ASP H H 71 8.094 8.094 7.808 0.286 18216
3571 1 8 . 1 1 72 72 VAL N N 72 120.351 120.351 120.593 -0.242 18216
3572 1 8 . 1 1 72 72 VAL HA H 72 3.706 3.706 3.789 -0.083 18216
3573 1 8 . 1 1 72 72 VAL C C 72 174.409 174.409 176.961 -2.552 18216
3574 1 8 . 1 1 72 72 VAL CA C 72 66.232 66.232 66.020 0.212 18216
3575 1 8 . 1 1 72 72 VAL CB C 72 31.733 31.733 32.167 -0.434 18216
3576 1 8 . 1 1 72 72 VAL H H 72 7.714 7.714 8.347 -0.633 18216
3577 1 8 . 1 1 73 73 ILE N N 73 120.114 120.114 117.898 2.216 18216
3578 1 8 . 1 1 73 73 ILE HA H 73 3.365 3.365 3.955 -0.590 18216
3579 1 8 . 1 1 73 73 ILE C C 73 175.111 175.111 177.623 -2.512 18216
3580 1 8 . 1 1 73 73 ILE CA C 73 66.114 66.114 62.517 3.596 18216
3581 1 8 . 1 1 73 73 ILE CB C 73 38.264 38.264 36.675 1.589 18216
3582 1 8 . 1 1 73 73 ILE H H 73 7.710 7.710 7.531 0.179 18216
3583 1 8 . 1 1 74 74 LYS N N 74 118.158 118.158 120.583 -2.425 18216
3584 1 8 . 1 1 74 74 LYS HA H 74 3.863 3.863 4.137 -0.274 18216
3585 1 8 . 1 1 74 74 LYS C C 74 175.814 175.814 178.701 -2.887 18216
3586 1 8 . 1 1 74 74 LYS CA C 74 59.868 59.868 58.726 1.142 18216
3587 1 8 . 1 1 74 74 LYS CB C 74 32.727 32.727 32.939 -0.212 18216
3588 1 8 . 1 1 74 74 LYS H H 74 8.422 8.422 7.560 0.862 18216
3589 1 8 . 1 1 75 75 TYR N N 75 119.834 119.834 120.892 -1.058 18216
3590 1 8 . 1 1 75 75 TYR HA H 75 3.959 3.959 4.360 -0.401 18216
3591 1 8 . 1 1 75 75 TYR C C 75 176.122 176.122 177.570 -1.448 18216
3592 1 8 . 1 1 75 75 TYR CA C 75 62.025 62.025 61.464 0.561 18216
3593 1 8 . 1 1 75 75 TYR CB C 75 38.891 38.891 39.349 -0.458 18216
3594 1 8 . 1 1 75 75 TYR H H 75 7.701 7.701 8.281 -0.580 18216
3595 1 8 . 1 1 76 76 ILE N N 76 117.609 117.609 118.707 -1.098 18216
3596 1 8 . 1 1 76 76 ILE HA H 76 3.255 3.255 3.444 -0.189 18216
3597 1 8 . 1 1 76 76 ILE C C 76 176.730 176.730 177.815 -1.085 18216
3598 1 8 . 1 1 76 76 ILE CA C 76 65.383 65.383 65.109 0.274 18216
3599 1 8 . 1 1 76 76 ILE CB C 76 38.797 38.797 37.324 1.473 18216
3600 1 8 . 1 1 76 76 ILE H H 76 8.032 8.032 7.951 0.081 18216
3601 1 8 . 1 1 77 77 LYS N N 77 117.750 117.750 119.530 -1.780 18216
3602 1 8 . 1 1 77 77 LYS HA H 77 3.804 3.804 3.896 -0.092 18216
3603 1 8 . 1 1 77 77 LYS C C 77 177.793 177.793 177.776 0.017 18216
3604 1 8 . 1 1 77 77 LYS CA C 77 60.288 60.288 59.370 0.918 18216
3605 1 8 . 1 1 77 77 LYS CB C 77 32.504 32.504 31.970 0.534 18216
3606 1 8 . 1 1 77 77 LYS H H 77 8.353 8.353 7.802 0.551 18216
3607 1 8 . 1 1 78 78 GLU N N 78 117.517 117.517 116.651 0.866 18216
3608 1 8 . 1 1 78 78 GLU HA H 78 4.048 4.048 4.104 -0.056 18216
3609 1 8 . 1 1 78 78 GLU C C 78 175.974 175.974 178.177 -2.203 18216
3610 1 8 . 1 1 78 78 GLU CA C 78 58.352 58.352 57.894 0.458 18216
3611 1 8 . 1 1 78 78 GLU CB C 78 29.598 29.598 29.715 -0.117 18216
3612 1 8 . 1 1 78 78 GLU H H 78 8.057 8.057 7.620 0.437 18216
3613 1 8 . 1 1 79 79 ARG N N 79 117.613 117.613 119.313 -1.700 18216
3614 1 8 . 1 1 79 79 ARG HA H 79 4.271 4.271 4.059 0.212 18216
3615 1 8 . 1 1 79 79 ARG C C 79 174.583 174.583 177.412 -2.829 18216
3616 1 8 . 1 1 79 79 ARG CA C 79 55.965 55.965 57.160 -1.196 18216
3617 1 8 . 1 1 79 79 ARG CB C 79 30.171 30.171 30.536 -0.365 18216
3618 1 8 . 1 1 79 79 ARG H H 79 7.544 7.544 7.761 -0.217 18216
3619 1 8 . 1 1 80 80 GLN N N 80 119.495 119.495 119.078 0.417 18216
3620 1 8 . 1 1 80 80 GLN HA H 80 4.400 4.400 4.167 0.233 18216
3621 1 8 . 1 1 80 80 GLN C C 80 173.178 173.178 174.570 -1.392 18216
3622 1 8 . 1 1 80 80 GLN CA C 80 56.114 56.114 57.073 -0.959 18216
3623 1 8 . 1 1 80 80 GLN CB C 80 29.391 29.391 29.192 0.199 18216
3624 1 8 . 1 1 80 80 GLN H H 80 7.675 7.675 7.996 -0.321 18216
3625 1 9 . 1 1 4 4 THR HA H 4 4.199 4.199 4.543 -0.344 18216
3626 1 9 . 1 1 4 4 THR C C 4 172.396 172.396 175.309 -2.913 18216
3627 1 9 . 1 1 4 4 THR CA C 4 62.877 62.877 63.552 -0.675 18216
3628 1 9 . 1 1 4 4 THR CB C 4 69.501 69.501 69.638 -0.137 18216
3629 1 9 . 1 1 5 5 ASP N N 5 123.982 123.982 122.752 1.230 18216
3630 1 9 . 1 1 5 5 ASP HA H 5 4.560 4.560 4.363 0.197 18216
3631 1 9 . 1 1 5 5 ASP C C 5 174.716 174.716 177.917 -3.201 18216
3632 1 9 . 1 1 5 5 ASP CA C 5 54.733 54.733 57.544 -2.811 18216
3633 1 9 . 1 1 5 5 ASP CB C 5 41.451 41.451 40.950 0.500 18216
3634 1 9 . 1 1 5 5 ASP H H 5 8.457 8.457 7.878 0.579 18216
3635 1 9 . 1 1 6 6 LYS N N 6 122.949 122.949 118.577 4.372 18216
3636 1 9 . 1 1 6 6 LYS HA H 6 4.141 4.141 4.121 0.020 18216
3637 1 9 . 1 1 6 6 LYS C C 6 177.076 177.076 178.567 -1.491 18216
3638 1 9 . 1 1 6 6 LYS CA C 6 58.725 58.725 58.597 0.128 18216
3639 1 9 . 1 1 6 6 LYS CB C 6 32.481 32.481 32.061 0.420 18216
3640 1 9 . 1 1 6 6 LYS H H 6 8.421 8.421 8.333 0.088 18216
3641 1 9 . 1 1 7 7 ILE N N 7 121.024 121.024 118.357 2.667 18216
3642 1 9 . 1 1 7 7 ILE HA H 7 4.036 4.036 3.798 0.238 18216
3643 1 9 . 1 1 7 7 ILE C C 7 174.780 174.780 177.766 -2.986 18216
3644 1 9 . 1 1 7 7 ILE CA C 7 64.418 64.418 64.652 -0.234 18216
3645 1 9 . 1 1 7 7 ILE CB C 7 37.541 37.541 37.705 -0.164 18216
3646 1 9 . 1 1 7 7 ILE H H 7 8.055 8.055 7.813 0.242 18216
3647 1 9 . 1 1 8 8 GLU N N 8 119.901 119.901 119.172 0.729 18216
3648 1 9 . 1 1 8 8 GLU HA H 8 3.620 3.620 3.901 -0.281 18216
3649 1 9 . 1 1 8 8 GLU C C 8 175.403 175.403 179.425 -4.022 18216
3650 1 9 . 1 1 8 8 GLU CA C 8 60.226 60.226 59.688 0.538 18216
3651 1 9 . 1 1 8 8 GLU CB C 8 29.793 29.793 29.253 0.540 18216
3652 1 9 . 1 1 8 8 GLU H H 8 8.178 8.178 7.798 0.381 18216
3653 1 9 . 1 1 9 9 GLN N N 9 114.019 114.019 117.467 -3.448 18216
3654 1 9 . 1 1 9 9 GLN HA H 9 3.887 3.887 4.258 -0.371 18216
3655 1 9 . 1 1 9 9 GLN C C 9 176.383 176.383 178.175 -1.792 18216
3656 1 9 . 1 1 9 9 GLN CA C 9 59.031 59.031 57.443 1.589 18216
3657 1 9 . 1 1 9 9 GLN CB C 9 28.829 28.829 28.345 0.484 18216
3658 1 9 . 1 1 9 9 GLN H H 9 7.923 7.923 8.025 -0.102 18216
3659 1 9 . 1 1 10 10 LYS N N 10 119.999 119.999 121.571 -1.572 18216
3660 1 9 . 1 1 10 10 LYS HA H 10 4.182 4.182 4.173 0.009 18216
3661 1 9 . 1 1 10 10 LYS C C 10 176.671 176.671 178.262 -1.591 18216
3662 1 9 . 1 1 10 10 LYS CA C 10 58.067 58.067 58.156 -0.089 18216
3663 1 9 . 1 1 10 10 LYS CB C 10 31.522 31.522 31.994 -0.472 18216
3664 1 9 . 1 1 10 10 LYS H H 10 7.783 7.783 8.074 -0.291 18216
3665 1 9 . 1 1 11 11 VAL N N 11 119.291 119.291 121.240 -1.949 18216
3666 1 9 . 1 1 11 11 VAL HA H 11 3.602 3.602 3.829 -0.227 18216
3667 1 9 . 1 1 11 11 VAL C C 11 176.092 176.092 176.800 -0.708 18216
3668 1 9 . 1 1 11 11 VAL CA C 11 67.715 67.715 65.574 2.141 18216
3669 1 9 . 1 1 11 11 VAL CB C 11 30.791 30.791 31.939 -1.148 18216
3670 1 9 . 1 1 11 11 VAL H H 11 8.928 8.928 7.643 1.285 18216
3671 1 9 . 1 1 12 12 ILE N N 12 119.163 119.163 119.545 -0.382 18216
3672 1 9 . 1 1 12 12 ILE HA H 12 3.413 3.413 3.741 -0.328 18216
3673 1 9 . 1 1 12 12 ILE C C 12 175.417 175.417 177.250 -1.833 18216
3674 1 9 . 1 1 12 12 ILE CA C 12 68.032 68.032 64.759 3.273 18216
3675 1 9 . 1 1 12 12 ILE CB C 12 37.135 37.135 37.768 -0.633 18216
3676 1 9 . 1 1 12 12 ILE H H 12 8.255 8.255 7.323 0.932 18216
3677 1 9 . 1 1 13 13 GLU N N 13 118.515 118.515 118.589 -0.074 18216
3678 1 9 . 1 1 13 13 GLU HA H 13 3.868 3.868 4.040 -0.172 18216
3679 1 9 . 1 1 13 13 GLU C C 13 177.514 177.514 178.278 -0.764 18216
3680 1 9 . 1 1 13 13 GLU CA C 13 60.145 60.145 58.636 1.509 18216
3681 1 9 . 1 1 13 13 GLU CB C 13 29.487 29.487 29.642 -0.155 18216
3682 1 9 . 1 1 13 13 GLU H H 13 7.821 7.821 7.735 0.086 18216
3683 1 9 . 1 1 14 14 MET N N 14 120.174 120.174 120.197 -0.023 18216
3684 1 9 . 1 1 14 14 MET HA H 14 4.168 4.168 4.118 0.050 18216
3685 1 9 . 1 1 14 14 MET C C 14 176.631 176.631 177.803 -1.172 18216
3686 1 9 . 1 1 14 14 MET CA C 14 59.409 59.409 58.466 0.943 18216
3687 1 9 . 1 1 14 14 MET CB C 14 33.931 33.931 32.680 1.251 18216
3688 1 9 . 1 1 14 14 MET H H 14 8.610 8.610 7.584 1.026 18216
3689 1 9 . 1 1 15 15 VAL N N 15 120.579 120.579 118.404 2.175 18216
3690 1 9 . 1 1 15 15 VAL HA H 15 3.441 3.441 3.636 -0.195 18216
3691 1 9 . 1 1 15 15 VAL C C 15 175.086 175.086 177.829 -2.743 18216
3692 1 9 . 1 1 15 15 VAL CA C 15 67.096 67.096 65.714 1.382 18216
3693 1 9 . 1 1 15 15 VAL CB C 15 31.481 31.481 30.508 0.973 18216
3694 1 9 . 1 1 15 15 VAL H H 15 8.975 8.975 8.120 0.855 18216
3695 1 9 . 1 1 16 16 ALA N N 16 121.102 121.102 120.958 0.144 18216
3696 1 9 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.366 -0.588 18216
3697 1 9 . 1 1 16 16 ALA C C 16 178.027 178.027 178.660 -0.633 18216
3698 1 9 . 1 1 16 16 ALA CA C 16 55.944 55.944 54.407 1.537 18216
3699 1 9 . 1 1 16 16 ALA CB C 16 18.234 18.234 18.586 -0.352 18216
3700 1 9 . 1 1 16 16 ALA H H 16 8.387 8.387 7.562 0.825 18216
3701 1 9 . 1 1 17 17 GLU N N 17 115.683 115.683 116.938 -1.255 18216
3702 1 9 . 1 1 17 17 GLU HA H 17 4.102 4.102 4.234 -0.132 18216
3703 1 9 . 1 1 17 17 GLU C C 17 177.810 177.810 177.969 -0.159 18216
3704 1 9 . 1 1 17 17 GLU CA C 17 59.241 59.241 57.180 2.061 18216
3705 1 9 . 1 1 17 17 GLU CB C 17 30.175 30.175 30.312 -0.137 18216
3706 1 9 . 1 1 17 17 GLU H H 17 8.043 8.043 8.004 0.039 18216
3707 1 9 . 1 1 18 18 LYS N N 18 116.582 116.582 118.644 -2.062 18216
3708 1 9 . 1 1 18 18 LYS HA H 18 4.186 4.186 3.978 0.208 18216
3709 1 9 . 1 1 18 18 LYS C C 18 175.949 175.949 176.753 -0.804 18216
3710 1 9 . 1 1 18 18 LYS CA C 18 57.029 57.029 58.970 -1.941 18216
3711 1 9 . 1 1 18 18 LYS CB C 18 31.479 31.479 32.869 -1.390 18216
3712 1 9 . 1 1 18 18 LYS H H 18 8.669 8.669 7.996 0.673 18216
3713 1 9 . 1 1 19 19 LEU N N 19 113.633 113.633 115.753 -2.120 18216
3714 1 9 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.327 0.164 18216
3715 1 9 . 1 1 19 19 LEU C C 19 174.261 174.261 175.291 -1.030 18216
3716 1 9 . 1 1 19 19 LEU CA C 19 54.230 54.230 52.700 1.530 18216
3717 1 9 . 1 1 19 19 LEU CB C 19 40.477 40.477 40.569 -0.092 18216
3718 1 9 . 1 1 19 19 LEU H H 19 8.226 8.226 7.291 0.935 18216
3719 1 9 . 1 1 20 20 ASN N N 20 117.866 117.866 117.510 0.356 18216
3720 1 9 . 1 1 20 20 ASN HA H 20 4.416 4.416 4.415 0.001 18216
3721 1 9 . 1 1 20 20 ASN C C 20 172.278 172.278 174.371 -2.093 18216
3722 1 9 . 1 1 20 20 ASN CA C 20 54.058 54.058 54.066 -0.008 18216
3723 1 9 . 1 1 20 20 ASN CB C 20 36.788 36.788 37.537 -0.749 18216
3724 1 9 . 1 1 20 20 ASN H H 20 7.616 7.616 7.242 0.374 18216
3725 1 9 . 1 1 21 21 LYS N N 21 117.035 117.035 119.232 -2.197 18216
3726 1 9 . 1 1 21 21 LYS HA H 21 4.717 4.717 4.310 0.407 18216
3727 1 9 . 1 1 21 21 LYS C C 21 173.009 173.009 176.111 -3.102 18216
3728 1 9 . 1 1 21 21 LYS CA C 21 52.589 52.589 55.916 -3.327 18216
3729 1 9 . 1 1 21 21 LYS CB C 21 36.114 36.114 33.429 2.685 18216
3730 1 9 . 1 1 21 21 LYS H H 21 8.473 8.473 7.226 1.247 18216
3731 1 9 . 1 1 22 22 ASP N N 22 120.954 120.954 125.765 -4.811 18216
3732 1 9 . 1 1 22 22 ASP HA H 22 4.422 4.422 4.438 -0.016 18216
3733 1 9 . 1 1 22 22 ASP C C 22 175.257 175.257 177.771 -2.514 18216
3734 1 9 . 1 1 22 22 ASP CA C 22 54.220 54.220 54.641 -0.421 18216
3735 1 9 . 1 1 22 22 ASP CB C 22 41.895 41.895 42.493 -0.598 18216
3736 1 9 . 1 1 22 22 ASP H H 22 8.261 8.261 8.759 -0.498 18216
3737 1 9 . 1 1 23 23 LYS N N 23 125.865 125.865 124.403 1.462 18216
3738 1 9 . 1 1 23 23 LYS HA H 23 3.742 3.742 4.055 -0.313 18216
3739 1 9 . 1 1 23 23 LYS C C 23 175.599 175.599 176.940 -1.341 18216
3740 1 9 . 1 1 23 23 LYS CA C 23 59.607 59.607 58.663 0.943 18216
3741 1 9 . 1 1 23 23 LYS CB C 23 32.184 32.184 32.098 0.086 18216
3742 1 9 . 1 1 23 23 LYS H H 23 8.697 8.697 8.657 0.040 18216
3743 1 9 . 1 1 24 24 ALA N N 24 118.731 118.731 120.408 -1.677 18216
3744 1 9 . 1 1 24 24 ALA HA H 24 4.110 4.110 4.286 -0.176 18216
3745 1 9 . 1 1 24 24 ALA C C 24 177.449 177.449 178.013 -0.564 18216
3746 1 9 . 1 1 24 24 ALA CA C 24 54.192 54.192 53.042 1.150 18216
3747 1 9 . 1 1 24 24 ALA CB C 24 19.018 19.018 19.146 -0.129 18216
3748 1 9 . 1 1 24 24 ALA H H 24 8.509 8.509 8.023 0.486 18216
3749 1 9 . 1 1 25 25 ILE N N 25 110.020 110.020 116.383 -6.363 18216
3750 1 9 . 1 1 25 25 ILE HA H 25 4.406 4.406 4.236 0.170 18216
3751 1 9 . 1 1 25 25 ILE C C 25 173.524 173.524 175.758 -2.234 18216
3752 1 9 . 1 1 25 25 ILE CA C 25 60.373 60.373 61.434 -1.061 18216
3753 1 9 . 1 1 25 25 ILE CB C 25 38.423 38.423 39.885 -1.462 18216
3754 1 9 . 1 1 25 25 ILE H H 25 7.562 7.562 7.647 -0.085 18216
3755 1 9 . 1 1 26 26 ILE N N 26 122.932 122.932 122.693 0.239 18216
3756 1 9 . 1 1 26 26 ILE HA H 26 3.961 3.961 3.998 -0.037 18216
3757 1 9 . 1 1 26 26 ILE C C 26 172.610 172.610 175.470 -2.860 18216
3758 1 9 . 1 1 26 26 ILE CA C 26 61.520 61.520 62.115 -0.595 18216
3759 1 9 . 1 1 26 26 ILE CB C 26 37.367 37.367 36.857 0.510 18216
3760 1 9 . 1 1 26 26 ILE H H 26 7.377 7.377 7.569 -0.192 18216
3761 1 9 . 1 1 27 27 THR N N 27 116.747 116.747 117.802 -1.055 18216
3762 1 9 . 1 1 27 27 THR HA H 27 4.857 4.857 4.651 0.206 18216
3763 1 9 . 1 1 27 27 THR C C 27 174.186 174.186 175.334 -1.148 18216
3764 1 9 . 1 1 27 27 THR CA C 27 58.917 58.917 60.599 -1.682 18216
3765 1 9 . 1 1 27 27 THR CB C 27 72.257 72.257 71.093 1.164 18216
3766 1 9 . 1 1 27 27 THR H H 27 8.549 8.549 7.999 0.550 18216
3767 1 9 . 1 1 28 28 THR N N 28 110.578 110.578 110.947 -0.369 18216
3768 1 9 . 1 1 28 28 THR HA H 28 3.743 3.743 4.040 -0.297 18216
3769 1 9 . 1 1 28 28 THR C C 28 172.642 172.642 174.849 -2.207 18216
3770 1 9 . 1 1 28 28 THR CA C 28 65.306 65.306 65.124 0.182 18216
3771 1 9 . 1 1 28 28 THR CB C 28 67.621 67.621 68.791 -1.170 18216
3772 1 9 . 1 1 28 28 THR H H 28 8.817 8.817 8.599 0.218 18216
3773 1 9 . 1 1 29 29 ASP N N 29 117.036 117.036 119.872 -2.836 18216
3774 1 9 . 1 1 29 29 ASP HA H 29 4.719 4.719 4.798 -0.079 18216
3775 1 9 . 1 1 29 29 ASP C C 29 174.246 174.246 175.278 -1.032 18216
3776 1 9 . 1 1 29 29 ASP CA C 29 54.208 54.208 52.151 2.057 18216
3777 1 9 . 1 1 29 29 ASP CB C 29 41.567 41.567 40.106 1.461 18216
3778 1 9 . 1 1 29 29 ASP H H 29 7.777 7.777 8.273 -0.496 18216
3779 1 9 . 1 1 30 30 SER N N 30 117.171 117.171 115.496 1.675 18216
3780 1 9 . 1 1 30 30 SER HA H 30 4.063 4.063 4.175 -0.112 18216
3781 1 9 . 1 1 30 30 SER C C 30 171.138 171.138 174.808 -3.670 18216
3782 1 9 . 1 1 30 30 SER CA C 30 61.581 61.581 59.505 2.075 18216
3783 1 9 . 1 1 30 30 SER CB C 30 63.349 63.349 63.244 0.105 18216
3784 1 9 . 1 1 30 30 SER H H 30 7.619 7.619 7.449 0.170 18216
3785 1 9 . 1 1 31 31 ARG N N 31 124.648 124.648 126.051 -1.403 18216
3786 1 9 . 1 1 31 31 ARG HA H 31 4.644 4.644 4.183 0.461 18216
3787 1 9 . 1 1 31 31 ARG C C 31 176.660 176.660 176.678 -0.018 18216
3788 1 9 . 1 1 31 31 ARG CA C 31 54.323 54.323 54.307 0.016 18216
3789 1 9 . 1 1 31 31 ARG CB C 31 30.539 30.539 29.679 0.860 18216
3790 1 9 . 1 1 31 31 ARG H H 31 10.379 10.379 8.527 1.852 18216
3791 1 9 . 1 1 32 32 PHE N N 32 124.068 124.068 118.259 5.809 18216
3792 1 9 . 1 1 32 32 PHE HA H 32 3.964 3.964 4.184 -0.220 18216
3793 1 9 . 1 1 32 32 PHE C C 32 173.376 173.376 177.434 -4.058 18216
3794 1 9 . 1 1 32 32 PHE CA C 32 62.578 62.578 60.187 2.391 18216
3795 1 9 . 1 1 32 32 PHE CB C 32 38.147 38.147 37.879 0.268 18216
3796 1 9 . 1 1 32 32 PHE H H 32 7.833 7.833 7.202 0.631 18216
3797 1 9 . 1 1 33 33 ILE N N 33 116.395 116.395 119.722 -3.327 18216
3798 1 9 . 1 1 33 33 ILE HA H 33 4.044 4.044 3.781 0.263 18216
3799 1 9 . 1 1 33 33 ILE C C 33 178.005 178.005 176.944 1.061 18216
3800 1 9 . 1 1 33 33 ILE CA C 33 64.293 64.293 63.964 0.329 18216
3801 1 9 . 1 1 33 33 ILE CB C 33 36.905 36.905 37.826 -0.921 18216
3802 1 9 . 1 1 33 33 ILE H H 33 8.696 8.696 7.574 1.122 18216
3803 1 9 . 1 1 34 34 GLU N N 34 117.346 117.346 118.355 -1.009 18216
3804 1 9 . 1 1 34 34 GLU HA H 34 3.859 3.859 4.169 -0.310 18216
3805 1 9 . 1 1 34 34 GLU C C 34 175.723 175.723 178.072 -2.349 18216
3806 1 9 . 1 1 34 34 GLU CA C 34 62.485 62.485 58.461 4.024 18216
3807 1 9 . 1 1 34 34 GLU CB C 34 29.032 29.032 29.599 -0.567 18216
3808 1 9 . 1 1 34 34 GLU H H 34 9.408 9.408 7.674 1.734 18216
3809 1 9 . 1 1 35 35 ASP N N 35 112.053 112.053 118.824 -6.771 18216
3810 1 9 . 1 1 35 35 ASP HA H 35 5.026 5.026 4.444 0.582 18216
3811 1 9 . 1 1 35 35 ASP C C 35 175.237 175.237 178.156 -2.919 18216
3812 1 9 . 1 1 35 35 ASP CA C 35 55.996 55.996 56.579 -0.583 18216
3813 1 9 . 1 1 35 35 ASP CB C 35 41.508 41.508 41.153 0.355 18216
3814 1 9 . 1 1 35 35 ASP H H 35 7.527 7.527 8.162 -0.635 18216
3815 1 9 . 1 1 36 36 LEU N N 36 115.898 115.898 118.432 -2.534 18216
3816 1 9 . 1 1 36 36 LEU HA H 36 4.274 4.274 4.355 -0.081 18216
3817 1 9 . 1 1 36 36 LEU C C 36 172.955 172.955 175.956 -3.001 18216
3818 1 9 . 1 1 36 36 LEU CA C 36 54.739 54.739 54.908 -0.169 18216
3819 1 9 . 1 1 36 36 LEU CB C 36 40.891 40.891 42.981 -2.090 18216
3820 1 9 . 1 1 36 36 LEU H H 36 7.648 7.648 7.603 0.045 18216
3821 1 9 . 1 1 37 37 LYS N N 37 114.307 114.307 118.139 -3.832 18216
3822 1 9 . 1 1 37 37 LYS HA H 37 4.207 4.207 4.056 0.151 18216
3823 1 9 . 1 1 37 37 LYS C C 37 174.539 174.539 175.231 -0.692 18216
3824 1 9 . 1 1 37 37 LYS CA C 37 55.942 55.942 56.616 -0.674 18216
3825 1 9 . 1 1 37 37 LYS CB C 37 28.513 28.513 29.796 -1.283 18216
3826 1 9 . 1 1 37 37 LYS H H 37 7.247 7.247 7.395 -0.148 18216
3827 1 9 . 1 1 38 38 ALA N N 38 121.453 121.453 122.320 -0.867 18216
3828 1 9 . 1 1 38 38 ALA HA H 38 4.392 4.392 4.171 0.221 18216
3829 1 9 . 1 1 38 38 ALA C C 38 175.605 175.605 177.630 -2.025 18216
3830 1 9 . 1 1 38 38 ALA CA C 38 52.008 52.008 52.609 -0.601 18216
3831 1 9 . 1 1 38 38 ALA CB C 38 20.568 20.568 19.866 0.702 18216
3832 1 9 . 1 1 38 38 ALA H H 38 8.442 8.442 7.518 0.924 18216
3833 1 9 . 1 1 39 39 ASP N N 39 123.391 123.391 124.026 -0.635 18216
3834 1 9 . 1 1 39 39 ASP HA H 39 4.782 4.782 4.519 0.263 18216
3835 1 9 . 1 1 39 39 ASP C C 39 175.798 175.798 177.428 -1.630 18216
3836 1 9 . 1 1 39 39 ASP CA C 39 52.823 52.823 54.575 -1.752 18216
3837 1 9 . 1 1 39 39 ASP CB C 39 42.613 42.613 41.566 1.047 18216
3838 1 9 . 1 1 39 39 ASP H H 39 9.038 9.038 8.622 0.416 18216
3839 1 9 . 1 1 40 40 SER N N 40 116.961 116.961 114.136 2.825 18216
3840 1 9 . 1 1 40 40 SER HA H 40 4.226 4.226 4.275 -0.049 18216
3841 1 9 . 1 1 40 40 SER C C 40 174.197 174.197 175.962 -1.765 18216
3842 1 9 . 1 1 40 40 SER CA C 40 60.234 60.234 60.608 -0.374 18216
3843 1 9 . 1 1 40 40 SER CB C 40 65.619 65.619 63.332 2.287 18216
3844 1 9 . 1 1 40 40 SER H H 40 8.936 8.936 8.457 0.479 18216
3845 1 9 . 1 1 41 41 LEU N N 41 124.152 124.152 116.835 7.317 18216
3846 1 9 . 1 1 41 41 LEU HA H 41 4.187 4.187 4.377 -0.190 18216
3847 1 9 . 1 1 41 41 LEU C C 41 175.316 175.316 177.058 -1.742 18216
3848 1 9 . 1 1 41 41 LEU CA C 41 57.873 57.873 56.313 1.560 18216
3849 1 9 . 1 1 41 41 LEU CB C 41 41.085 41.085 40.896 0.189 18216
3850 1 9 . 1 1 41 41 LEU H H 41 8.279 8.279 7.961 0.318 18216
3851 1 9 . 1 1 42 42 ASP N N 42 120.193 120.193 118.913 1.280 18216
3852 1 9 . 1 1 42 42 ASP HA H 42 4.415 4.415 4.549 -0.134 18216
3853 1 9 . 1 1 42 42 ASP C C 42 176.858 176.858 177.878 -1.020 18216
3854 1 9 . 1 1 42 42 ASP CA C 42 57.144 57.144 56.908 0.236 18216
3855 1 9 . 1 1 42 42 ASP CB C 42 40.895 40.895 40.676 0.219 18216
3856 1 9 . 1 1 42 42 ASP H H 42 8.002 8.002 8.349 -0.347 18216
3857 1 9 . 1 1 43 43 THR N N 43 112.919 112.919 114.965 -2.046 18216
3858 1 9 . 1 1 43 43 THR HA H 43 3.554 3.554 3.969 -0.415 18216
3859 1 9 . 1 1 43 43 THR CA C 43 66.658 66.658 65.833 0.825 18216
3860 1 9 . 1 1 43 43 THR CB C 43 68.423 68.423 68.141 0.282 18216
3861 1 9 . 1 1 43 43 THR H H 43 7.939 7.939 7.632 0.307 18216
3862 1 9 . 1 1 44 44 VAL HA H 44 3.645 3.645 3.707 -0.062 18216
3863 1 9 . 1 1 44 44 VAL C C 44 176.576 176.576 177.688 -1.112 18216
3864 1 9 . 1 1 44 44 VAL CA C 44 66.873 66.873 66.054 0.819 18216
3865 1 9 . 1 1 44 44 VAL CB C 44 31.658 31.658 31.023 0.635 18216
3866 1 9 . 1 1 45 45 GLU N N 45 119.120 119.120 119.676 -0.556 18216
3867 1 9 . 1 1 45 45 GLU HA H 45 4.060 4.060 4.193 -0.133 18216
3868 1 9 . 1 1 45 45 GLU C C 45 178.332 178.332 178.648 -0.316 18216
3869 1 9 . 1 1 45 45 GLU CA C 45 59.618 59.618 58.542 1.076 18216
3870 1 9 . 1 1 45 45 GLU CB C 45 29.229 29.229 29.987 -0.758 18216
3871 1 9 . 1 1 45 45 GLU H H 45 7.867 7.867 7.636 0.231 18216
3872 1 9 . 1 1 46 46 LEU N N 46 121.527 121.527 120.556 0.971 18216
3873 1 9 . 1 1 46 46 LEU HA H 46 3.997 3.997 3.986 0.011 18216
3874 1 9 . 1 1 46 46 LEU C C 46 175.472 175.472 179.728 -4.256 18216
3875 1 9 . 1 1 46 46 LEU CA C 46 58.391 58.391 58.122 0.269 18216
3876 1 9 . 1 1 46 46 LEU CB C 46 41.312 41.312 42.105 -0.793 18216
3877 1 9 . 1 1 46 46 LEU H H 46 8.200 8.200 8.291 -0.091 18216
3878 1 9 . 1 1 47 47 MET N N 47 117.675 117.675 116.322 1.353 18216
3879 1 9 . 1 1 47 47 MET HA H 47 4.141 4.141 3.965 0.176 18216
3880 1 9 . 1 1 47 47 MET C C 47 177.030 177.030 178.392 -1.362 18216
3881 1 9 . 1 1 47 47 MET CA C 47 57.924 57.924 58.615 -0.691 18216
3882 1 9 . 1 1 47 47 MET CB C 47 31.672 31.672 32.145 -0.473 18216
3883 1 9 . 1 1 47 47 MET H H 47 8.330 8.330 8.711 -0.381 18216
3884 1 9 . 1 1 48 48 MET N N 48 117.614 117.614 120.638 -3.024 18216
3885 1 9 . 1 1 48 48 MET HA H 48 4.343 4.343 4.463 -0.120 18216
3886 1 9 . 1 1 48 48 MET C C 48 176.562 176.562 177.843 -1.281 18216
3887 1 9 . 1 1 48 48 MET CA C 48 58.942 58.942 57.388 1.554 18216
3888 1 9 . 1 1 48 48 MET CB C 48 32.951 32.951 31.650 1.301 18216
3889 1 9 . 1 1 48 48 MET H H 48 8.148 8.148 7.821 0.327 18216
3890 1 9 . 1 1 49 49 ALA N N 49 121.729 121.729 122.141 -0.412 18216
3891 1 9 . 1 1 49 49 ALA HA H 49 4.220 4.220 4.066 0.154 18216
3892 1 9 . 1 1 49 49 ALA C C 49 179.111 179.111 179.471 -0.360 18216
3893 1 9 . 1 1 49 49 ALA CA C 49 54.902 54.902 54.764 0.138 18216
3894 1 9 . 1 1 49 49 ALA CB C 49 17.956 17.956 17.870 0.086 18216
3895 1 9 . 1 1 49 49 ALA H H 49 7.890 7.890 7.770 0.120 18216
3896 1 9 . 1 1 50 50 ILE N N 50 122.294 122.294 116.597 5.697 18216
3897 1 9 . 1 1 50 50 ILE HA H 50 3.716 3.716 3.901 -0.185 18216
3898 1 9 . 1 1 50 50 ILE C C 50 175.507 175.507 178.164 -2.657 18216
3899 1 9 . 1 1 50 50 ILE CA C 50 64.908 64.908 62.321 2.587 18216
3900 1 9 . 1 1 50 50 ILE CB C 50 36.664 36.664 36.599 0.065 18216
3901 1 9 . 1 1 50 50 ILE H H 50 8.428 8.428 8.173 0.255 18216
3902 1 9 . 1 1 51 51 GLU N N 51 120.060 120.060 120.480 -0.420 18216
3903 1 9 . 1 1 51 51 GLU HA H 51 4.059 4.059 4.350 -0.291 18216
3904 1 9 . 1 1 51 51 GLU C C 51 178.398 178.398 179.337 -0.939 18216
3905 1 9 . 1 1 51 51 GLU CA C 51 60.419 60.419 59.841 0.578 18216
3906 1 9 . 1 1 51 51 GLU CB C 51 30.212 30.212 29.939 0.273 18216
3907 1 9 . 1 1 51 51 GLU H H 51 8.281 8.281 8.228 0.053 18216
3908 1 9 . 1 1 52 52 VAL N N 52 117.342 117.342 115.767 1.575 18216
3909 1 9 . 1 1 52 52 VAL HA H 52 3.725 3.725 3.840 -0.115 18216
3910 1 9 . 1 1 52 52 VAL C C 52 176.701 176.701 177.326 -0.625 18216
3911 1 9 . 1 1 52 52 VAL CA C 52 65.682 65.682 65.386 0.296 18216
3912 1 9 . 1 1 52 52 VAL CB C 52 32.278 32.278 31.290 0.988 18216
3913 1 9 . 1 1 52 52 VAL H H 52 7.714 7.714 7.538 0.176 18216
3914 1 9 . 1 1 53 53 GLU N N 53 120.657 120.657 120.401 0.256 18216
3915 1 9 . 1 1 53 53 GLU HA H 53 3.876 3.876 4.153 -0.277 18216
3916 1 9 . 1 1 53 53 GLU C C 53 175.734 175.734 178.097 -2.363 18216
3917 1 9 . 1 1 53 53 GLU CA C 53 58.823 58.823 58.841 -0.018 18216
3918 1 9 . 1 1 53 53 GLU CB C 53 29.817 29.817 30.017 -0.201 18216
3919 1 9 . 1 1 53 53 GLU H H 53 8.191 8.191 7.887 0.304 18216
3920 1 9 . 1 1 54 54 TYR N N 54 111.170 111.170 117.230 -6.060 18216
3921 1 9 . 1 1 54 54 TYR HA H 54 4.483 4.483 4.408 0.075 18216
3922 1 9 . 1 1 54 54 TYR C C 54 174.031 174.031 176.932 -2.901 18216
3923 1 9 . 1 1 54 54 TYR CA C 54 59.478 59.478 58.748 0.730 18216
3924 1 9 . 1 1 54 54 TYR CB C 54 39.373 39.373 39.434 -0.061 18216
3925 1 9 . 1 1 54 54 TYR H H 54 8.106 8.106 7.679 0.427 18216
3926 1 9 . 1 1 55 55 GLY N N 55 112.483 112.483 107.358 5.125 18216
3927 1 9 . 1 1 55 55 GLY C C 55 172.863 172.863 173.868 -1.005 18216
3928 1 9 . 1 1 55 55 GLY CA C 55 47.593 47.593 45.290 2.303 18216
3929 1 9 . 1 1 55 55 GLY H H 55 8.047 8.047 8.145 -0.098 18216
3930 1 9 . 1 1 56 56 ILE N N 56 112.002 112.002 114.136 -2.134 18216
3931 1 9 . 1 1 56 56 ILE HA H 56 4.692 4.692 4.514 0.178 18216
3932 1 9 . 1 1 56 56 ILE C C 56 171.179 171.179 173.460 -2.281 18216
3933 1 9 . 1 1 56 56 ILE CA C 56 58.776 58.776 58.298 0.478 18216
3934 1 9 . 1 1 56 56 ILE CB C 56 42.063 42.063 40.575 1.488 18216
3935 1 9 . 1 1 56 56 ILE H H 56 7.491 7.491 7.458 0.033 18216
3936 1 9 . 1 1 57 57 ASP N N 57 119.662 119.662 119.973 -0.311 18216
3937 1 9 . 1 1 57 57 ASP HA H 57 4.940 4.940 4.944 -0.004 18216
3938 1 9 . 1 1 57 57 ASP C C 57 174.016 174.016 174.600 -0.584 18216
3939 1 9 . 1 1 57 57 ASP CA C 57 52.946 52.946 54.071 -1.125 18216
3940 1 9 . 1 1 57 57 ASP CB C 57 43.115 43.115 43.134 -0.019 18216
3941 1 9 . 1 1 57 57 ASP H H 57 8.314 8.314 8.243 0.071 18216
3942 1 9 . 1 1 58 58 ILE N N 58 125.903 125.903 121.326 4.577 18216
3943 1 9 . 1 1 58 58 ILE HA H 58 4.360 4.360 4.524 -0.164 18216
3944 1 9 . 1 1 58 58 ILE C C 58 170.591 170.591 173.739 -3.148 18216
3945 1 9 . 1 1 58 58 ILE CA C 58 59.354 59.354 58.406 0.948 18216
3946 1 9 . 1 1 58 58 ILE CB C 58 37.984 37.984 40.095 -2.111 18216
3947 1 9 . 1 1 58 58 ILE H H 58 9.901 9.901 8.344 1.557 18216
3948 1 9 . 1 1 59 59 PRO HA H 59 4.536 4.536 4.690 -0.154 18216
3949 1 9 . 1 1 59 59 PRO C C 59 175.502 175.502 177.214 -1.712 18216
3950 1 9 . 1 1 59 59 PRO CA C 59 62.523 62.523 62.112 0.411 18216
3951 1 9 . 1 1 59 59 PRO CB C 59 32.790 32.790 32.776 0.014 18216
3952 1 9 . 1 1 60 60 ASP N N 60 122.930 122.930 120.174 2.756 18216
3953 1 9 . 1 1 60 60 ASP HA H 60 4.233 4.233 4.256 -0.023 18216
3954 1 9 . 1 1 60 60 ASP C C 60 175.742 175.742 177.984 -2.242 18216
3955 1 9 . 1 1 60 60 ASP CA C 60 57.966 57.966 57.893 0.073 18216
3956 1 9 . 1 1 60 60 ASP CB C 60 40.410 40.410 40.471 -0.061 18216
3957 1 9 . 1 1 60 60 ASP H H 60 8.880 8.880 8.703 0.177 18216
3958 1 9 . 1 1 61 61 ASP N N 61 115.336 115.336 119.224 -3.888 18216
3959 1 9 . 1 1 61 61 ASP HA H 61 4.342 4.342 4.425 -0.083 18216
3960 1 9 . 1 1 61 61 ASP C C 61 176.158 176.158 177.821 -1.663 18216
3961 1 9 . 1 1 61 61 ASP CA C 61 56.199 56.199 56.676 -0.477 18216
3962 1 9 . 1 1 61 61 ASP CB C 61 39.990 39.990 40.115 -0.125 18216
3963 1 9 . 1 1 61 61 ASP H H 61 8.736 8.736 8.735 0.001 18216
3964 1 9 . 1 1 62 62 GLU N N 62 118.044 118.044 116.539 1.505 18216
3965 1 9 . 1 1 62 62 GLU HA H 62 4.237 4.237 4.405 -0.168 18216
3966 1 9 . 1 1 62 62 GLU C C 62 177.114 177.114 176.775 0.339 18216
3967 1 9 . 1 1 62 62 GLU CA C 62 57.354 57.354 55.124 2.230 18216
3968 1 9 . 1 1 62 62 GLU CB C 62 29.151 29.151 28.876 0.275 18216
3969 1 9 . 1 1 62 62 GLU H H 62 7.419 7.419 8.047 -0.628 18216
3970 1 9 . 1 1 63 63 ALA N N 63 123.014 123.014 122.459 0.555 18216
3971 1 9 . 1 1 63 63 ALA HA H 63 3.708 3.708 4.192 -0.484 18216
3972 1 9 . 1 1 63 63 ALA C C 63 177.936 177.936 177.779 0.157 18216
3973 1 9 . 1 1 63 63 ALA CA C 63 55.400 55.400 54.568 0.832 18216
3974 1 9 . 1 1 63 63 ALA CB C 63 18.245 18.245 18.708 -0.463 18216
3975 1 9 . 1 1 63 63 ALA H H 63 8.338 8.338 7.472 0.866 18216
3976 1 9 . 1 1 64 64 THR N N 64 107.396 107.396 106.582 0.814 18216
3977 1 9 . 1 1 64 64 THR HA H 64 4.038 4.038 4.340 -0.302 18216
3978 1 9 . 1 1 64 64 THR C C 64 173.058 173.058 175.255 -2.197 18216
3979 1 9 . 1 1 64 64 THR CA C 64 64.120 64.120 61.892 2.228 18216
3980 1 9 . 1 1 64 64 THR CB C 64 69.241 69.241 69.367 -0.126 18216
3981 1 9 . 1 1 64 64 THR H H 64 7.534 7.534 7.715 -0.181 18216
3982 1 9 . 1 1 65 65 LYS N N 65 118.248 118.248 120.679 -2.431 18216
3983 1 9 . 1 1 65 65 LYS HA H 65 4.233 4.233 4.854 -0.621 18216
3984 1 9 . 1 1 65 65 LYS C C 65 174.655 174.655 174.699 -0.044 18216
3985 1 9 . 1 1 65 65 LYS CA C 65 56.591 56.591 55.428 1.163 18216
3986 1 9 . 1 1 65 65 LYS CB C 65 33.090 33.090 33.974 -0.884 18216
3987 1 9 . 1 1 65 65 LYS H H 65 7.201 7.201 7.593 -0.392 18216
3988 1 9 . 1 1 66 66 ILE N N 66 121.918 121.918 112.665 9.253 18216
3989 1 9 . 1 1 66 66 ILE HA H 66 3.872 3.872 4.558 -0.686 18216
3990 1 9 . 1 1 66 66 ILE C C 66 172.490 172.490 175.067 -2.577 18216
3991 1 9 . 1 1 66 66 ILE CA C 66 62.250 62.250 59.422 2.828 18216
3992 1 9 . 1 1 66 66 ILE CB C 66 37.132 37.132 37.745 -0.613 18216
3993 1 9 . 1 1 66 66 ILE H H 66 7.323 7.323 7.189 0.134 18216
3994 1 9 . 1 1 67 67 LYS N N 67 126.438 126.438 121.642 4.796 18216
3995 1 9 . 1 1 67 67 LYS HA H 67 4.787 4.787 4.208 0.579 18216
3996 1 9 . 1 1 67 67 LYS C C 67 176.156 176.156 176.452 -0.296 18216
3997 1 9 . 1 1 67 67 LYS CA C 67 56.078 56.078 58.561 -2.483 18216
3998 1 9 . 1 1 67 67 LYS CB C 67 35.435 35.435 32.647 2.788 18216
3999 1 9 . 1 1 67 67 LYS H H 67 9.625 9.625 8.432 1.193 18216
4000 1 9 . 1 1 68 68 THR N N 68 111.201 111.201 110.915 0.286 18216
4001 1 9 . 1 1 68 68 THR HA H 68 5.041 5.041 4.359 0.682 18216
4002 1 9 . 1 1 68 68 THR C C 68 173.425 173.425 175.823 -2.398 18216
4003 1 9 . 1 1 68 68 THR CA C 68 58.436 58.436 60.996 -2.560 18216
4004 1 9 . 1 1 68 68 THR CB C 68 73.683 73.683 69.852 3.831 18216
4005 1 9 . 1 1 68 68 THR H H 68 8.308 8.308 7.373 0.935 18216
4006 1 9 . 1 1 69 69 VAL N N 69 120.740 120.740 122.854 -2.114 18216
4007 1 9 . 1 1 69 69 VAL HA H 69 3.456 3.456 3.738 -0.282 18216
4008 1 9 . 1 1 69 69 VAL C C 69 176.481 176.481 177.408 -0.927 18216
4009 1 9 . 1 1 69 69 VAL CA C 69 67.506 67.506 66.463 1.043 18216
4010 1 9 . 1 1 69 69 VAL CB C 69 31.255 31.255 30.544 0.711 18216
4011 1 9 . 1 1 69 69 VAL H H 69 7.685 7.685 8.245 -0.560 18216
4012 1 9 . 1 1 70 70 SER N N 70 114.441 114.441 113.890 0.551 18216
4013 1 9 . 1 1 70 70 SER HA H 70 4.094 4.094 4.270 -0.176 18216
4014 1 9 . 1 1 70 70 SER C C 70 174.461 174.461 176.329 -1.868 18216
4015 1 9 . 1 1 70 70 SER CA C 70 61.222 61.222 60.905 0.317 18216
4016 1 9 . 1 1 70 70 SER CB C 70 62.761 62.761 63.283 -0.522 18216
4017 1 9 . 1 1 70 70 SER H H 70 8.866 8.866 8.505 0.361 18216
4018 1 9 . 1 1 71 71 ASP N N 71 121.065 121.065 123.262 -2.197 18216
4019 1 9 . 1 1 71 71 ASP HA H 71 4.434 4.434 4.724 -0.290 18216
4020 1 9 . 1 1 71 71 ASP C C 71 177.272 177.272 178.187 -0.915 18216
4021 1 9 . 1 1 71 71 ASP CA C 71 57.801 57.801 56.731 1.070 18216
4022 1 9 . 1 1 71 71 ASP CB C 71 41.976 41.976 40.909 1.067 18216
4023 1 9 . 1 1 71 71 ASP H H 71 8.094 8.094 7.744 0.350 18216
4024 1 9 . 1 1 72 72 VAL N N 72 120.351 120.351 121.267 -0.916 18216
4025 1 9 . 1 1 72 72 VAL HA H 72 3.706 3.706 3.630 0.076 18216
4026 1 9 . 1 1 72 72 VAL C C 72 174.409 174.409 177.253 -2.844 18216
4027 1 9 . 1 1 72 72 VAL CA C 72 66.232 66.232 67.232 -1.000 18216
4028 1 9 . 1 1 72 72 VAL CB C 72 31.733 31.733 31.823 -0.090 18216
4029 1 9 . 1 1 72 72 VAL H H 72 7.714 7.714 8.433 -0.719 18216
4030 1 9 . 1 1 73 73 ILE N N 73 120.114 120.114 117.088 3.026 18216
4031 1 9 . 1 1 73 73 ILE HA H 73 3.365 3.365 3.783 -0.418 18216
4032 1 9 . 1 1 73 73 ILE C C 73 175.111 175.111 178.377 -3.266 18216
4033 1 9 . 1 1 73 73 ILE CA C 73 66.114 66.114 63.185 2.929 18216
4034 1 9 . 1 1 73 73 ILE CB C 73 38.264 38.264 36.324 1.940 18216
4035 1 9 . 1 1 73 73 ILE H H 73 7.710 7.710 7.499 0.211 18216
4036 1 9 . 1 1 74 74 LYS N N 74 118.158 118.158 121.385 -3.227 18216
4037 1 9 . 1 1 74 74 LYS HA H 74 3.863 3.863 3.990 -0.127 18216
4038 1 9 . 1 1 74 74 LYS C C 74 175.814 175.814 178.208 -2.394 18216
4039 1 9 . 1 1 74 74 LYS CA C 74 59.868 59.868 59.354 0.514 18216
4040 1 9 . 1 1 74 74 LYS CB C 74 32.727 32.727 32.499 0.228 18216
4041 1 9 . 1 1 74 74 LYS H H 74 8.422 8.422 7.566 0.856 18216
4042 1 9 . 1 1 75 75 TYR N N 75 119.834 119.834 120.554 -0.720 18216
4043 1 9 . 1 1 75 75 TYR HA H 75 3.959 3.959 4.274 -0.315 18216
4044 1 9 . 1 1 75 75 TYR C C 75 176.122 176.122 178.024 -1.902 18216
4045 1 9 . 1 1 75 75 TYR CA C 75 62.025 62.025 61.523 0.502 18216
4046 1 9 . 1 1 75 75 TYR CB C 75 38.891 38.891 39.217 -0.326 18216
4047 1 9 . 1 1 75 75 TYR H H 75 7.701 7.701 8.137 -0.436 18216
4048 1 9 . 1 1 76 76 ILE N N 76 117.609 117.609 118.447 -0.838 18216
4049 1 9 . 1 1 76 76 ILE HA H 76 3.255 3.255 3.463 -0.208 18216
4050 1 9 . 1 1 76 76 ILE C C 76 176.730 176.730 177.511 -0.781 18216
4051 1 9 . 1 1 76 76 ILE CA C 76 65.383 65.383 65.294 0.089 18216
4052 1 9 . 1 1 76 76 ILE CB C 76 38.797 38.797 37.267 1.530 18216
4053 1 9 . 1 1 76 76 ILE H H 76 8.032 8.032 8.671 -0.639 18216
4054 1 9 . 1 1 77 77 LYS N N 77 117.750 117.750 121.040 -3.290 18216
4055 1 9 . 1 1 77 77 LYS HA H 77 3.804 3.804 3.870 -0.066 18216
4056 1 9 . 1 1 77 77 LYS C C 77 177.793 177.793 178.199 -0.406 18216
4057 1 9 . 1 1 77 77 LYS CA C 77 60.288 60.288 59.771 0.517 18216
4058 1 9 . 1 1 77 77 LYS CB C 77 32.504 32.504 31.877 0.627 18216
4059 1 9 . 1 1 77 77 LYS H H 77 8.353 8.353 7.480 0.873 18216
4060 1 9 . 1 1 78 78 GLU N N 78 117.517 117.517 117.069 0.448 18216
4061 1 9 . 1 1 78 78 GLU HA H 78 4.048 4.048 4.042 0.006 18216
4062 1 9 . 1 1 78 78 GLU C C 78 175.974 175.974 178.016 -2.042 18216
4063 1 9 . 1 1 78 78 GLU CA C 78 58.352 58.352 58.360 -0.008 18216
4064 1 9 . 1 1 78 78 GLU CB C 78 29.598 29.598 28.878 0.720 18216
4065 1 9 . 1 1 78 78 GLU H H 78 8.057 8.057 8.126 -0.069 18216
4066 1 9 . 1 1 79 79 ARG N N 79 117.613 117.613 117.571 0.042 18216
4067 1 9 . 1 1 79 79 ARG HA H 79 4.271 4.271 4.020 0.251 18216
4068 1 9 . 1 1 79 79 ARG C C 79 174.583 174.583 177.154 -2.571 18216
4069 1 9 . 1 1 79 79 ARG CA C 79 55.965 55.965 56.980 -1.015 18216
4070 1 9 . 1 1 79 79 ARG CB C 79 30.171 30.171 30.584 -0.413 18216
4071 1 9 . 1 1 79 79 ARG H H 79 7.544 7.544 7.458 0.086 18216
4072 1 9 . 1 1 80 80 GLN N N 80 119.495 119.495 119.382 0.113 18216
4073 1 9 . 1 1 80 80 GLN HA H 80 4.400 4.400 4.209 0.191 18216
4074 1 9 . 1 1 80 80 GLN C C 80 173.178 173.178 175.109 -1.931 18216
4075 1 9 . 1 1 80 80 GLN CA C 80 56.114 56.114 56.470 -0.356 18216
4076 1 9 . 1 1 80 80 GLN CB C 80 29.391 29.391 29.062 0.329 18216
4077 1 9 . 1 1 80 80 GLN H H 80 7.675 7.675 8.016 -0.341 18216
4078 1 10 . 1 1 4 4 THR HA H 4 4.199 4.199 4.072 0.127 18216
4079 1 10 . 1 1 4 4 THR C C 4 172.396 172.396 174.175 -1.779 18216
4080 1 10 . 1 1 4 4 THR CA C 4 62.877 62.877 62.987 -0.110 18216
4081 1 10 . 1 1 4 4 THR CB C 4 69.501 69.501 68.806 0.695 18216
4082 1 10 . 1 1 5 5 ASP N N 5 123.982 123.982 119.669 4.313 18216
4083 1 10 . 1 1 5 5 ASP HA H 5 4.560 4.560 4.644 -0.084 18216
4084 1 10 . 1 1 5 5 ASP C C 5 174.716 174.716 177.436 -2.720 18216
4085 1 10 . 1 1 5 5 ASP CA C 5 54.733 54.733 55.417 -0.684 18216
4086 1 10 . 1 1 5 5 ASP CB C 5 41.451 41.451 41.358 0.093 18216
4087 1 10 . 1 1 5 5 ASP H H 5 8.457 8.457 8.338 0.119 18216
4088 1 10 . 1 1 6 6 LYS N N 6 122.949 122.949 120.110 2.839 18216
4089 1 10 . 1 1 6 6 LYS HA H 6 4.141 4.141 4.335 -0.194 18216
4090 1 10 . 1 1 6 6 LYS C C 6 177.076 177.076 178.718 -1.642 18216
4091 1 10 . 1 1 6 6 LYS CA C 6 58.725 58.725 57.865 0.860 18216
4092 1 10 . 1 1 6 6 LYS CB C 6 32.481 32.481 32.131 0.350 18216
4093 1 10 . 1 1 6 6 LYS H H 6 8.421 8.421 8.457 -0.036 18216
4094 1 10 . 1 1 7 7 ILE N N 7 121.024 121.024 118.084 2.940 18216
4095 1 10 . 1 1 7 7 ILE HA H 7 4.036 4.036 3.868 0.168 18216
4096 1 10 . 1 1 7 7 ILE C C 7 174.780 174.780 177.754 -2.974 18216
4097 1 10 . 1 1 7 7 ILE CA C 7 64.418 64.418 64.932 -0.514 18216
4098 1 10 . 1 1 7 7 ILE CB C 7 37.541 37.541 37.583 -0.042 18216
4099 1 10 . 1 1 7 7 ILE H H 7 8.055 8.055 8.017 0.038 18216
4100 1 10 . 1 1 8 8 GLU N N 8 119.901 119.901 119.190 0.711 18216
4101 1 10 . 1 1 8 8 GLU HA H 8 3.620 3.620 3.987 -0.367 18216
4102 1 10 . 1 1 8 8 GLU C C 8 175.403 175.403 177.928 -2.525 18216
4103 1 10 . 1 1 8 8 GLU CA C 8 60.226 60.226 59.387 0.839 18216
4104 1 10 . 1 1 8 8 GLU CB C 8 29.793 29.793 29.199 0.594 18216
4105 1 10 . 1 1 8 8 GLU H H 8 8.178 8.178 8.446 -0.268 18216
4106 1 10 . 1 1 9 9 GLN N N 9 114.019 114.019 116.654 -2.635 18216
4107 1 10 . 1 1 9 9 GLN HA H 9 3.887 3.887 4.311 -0.424 18216
4108 1 10 . 1 1 9 9 GLN C C 9 176.383 176.383 178.068 -1.685 18216
4109 1 10 . 1 1 9 9 GLN CA C 9 59.031 59.031 57.620 1.411 18216
4110 1 10 . 1 1 9 9 GLN CB C 9 28.829 28.829 29.200 -0.371 18216
4111 1 10 . 1 1 9 9 GLN H H 9 7.923 7.923 7.840 0.083 18216
4112 1 10 . 1 1 10 10 LYS N N 10 119.999 119.999 121.037 -1.038 18216
4113 1 10 . 1 1 10 10 LYS HA H 10 4.182 4.182 4.196 -0.014 18216
4114 1 10 . 1 1 10 10 LYS C C 10 176.671 176.671 178.106 -1.435 18216
4115 1 10 . 1 1 10 10 LYS CA C 10 58.067 58.067 58.443 -0.376 18216
4116 1 10 . 1 1 10 10 LYS CB C 10 31.522 31.522 32.433 -0.911 18216
4117 1 10 . 1 1 10 10 LYS H H 10 7.783 7.783 7.920 -0.137 18216
4118 1 10 . 1 1 11 11 VAL N N 11 119.291 119.291 121.257 -1.966 18216
4119 1 10 . 1 1 11 11 VAL HA H 11 3.602 3.602 3.800 -0.198 18216
4120 1 10 . 1 1 11 11 VAL C C 11 176.092 176.092 176.825 -0.733 18216
4121 1 10 . 1 1 11 11 VAL CA C 11 67.715 67.715 66.169 1.546 18216
4122 1 10 . 1 1 11 11 VAL CB C 11 30.791 30.791 31.939 -1.148 18216
4123 1 10 . 1 1 11 11 VAL H H 11 8.928 8.928 8.278 0.650 18216
4124 1 10 . 1 1 12 12 ILE N N 12 119.163 119.163 118.291 0.872 18216
4125 1 10 . 1 1 12 12 ILE HA H 12 3.413 3.413 3.787 -0.374 18216
4126 1 10 . 1 1 12 12 ILE C C 12 175.417 175.417 177.071 -1.654 18216
4127 1 10 . 1 1 12 12 ILE CA C 12 68.032 68.032 64.124 3.908 18216
4128 1 10 . 1 1 12 12 ILE CB C 12 37.135 37.135 37.824 -0.689 18216
4129 1 10 . 1 1 12 12 ILE H H 12 8.255 8.255 7.404 0.851 18216
4130 1 10 . 1 1 13 13 GLU N N 13 118.515 118.515 119.604 -1.089 18216
4131 1 10 . 1 1 13 13 GLU HA H 13 3.868 3.868 4.014 -0.146 18216
4132 1 10 . 1 1 13 13 GLU C C 13 177.514 177.514 178.442 -0.928 18216
4133 1 10 . 1 1 13 13 GLU CA C 13 60.145 60.145 58.904 1.241 18216
4134 1 10 . 1 1 13 13 GLU CB C 13 29.487 29.487 29.602 -0.115 18216
4135 1 10 . 1 1 13 13 GLU H H 13 7.821 7.821 7.923 -0.102 18216
4136 1 10 . 1 1 14 14 MET N N 14 120.174 120.174 119.981 0.193 18216
4137 1 10 . 1 1 14 14 MET HA H 14 4.168 4.168 4.088 0.080 18216
4138 1 10 . 1 1 14 14 MET C C 14 176.631 176.631 177.886 -1.255 18216
4139 1 10 . 1 1 14 14 MET CA C 14 59.409 59.409 58.540 0.869 18216
4140 1 10 . 1 1 14 14 MET CB C 14 33.931 33.931 32.891 1.040 18216
4141 1 10 . 1 1 14 14 MET H H 14 8.610 8.610 7.757 0.853 18216
4142 1 10 . 1 1 15 15 VAL N N 15 120.579 120.579 118.292 2.287 18216
4143 1 10 . 1 1 15 15 VAL HA H 15 3.441 3.441 3.592 -0.151 18216
4144 1 10 . 1 1 15 15 VAL C C 15 175.086 175.086 177.916 -2.830 18216
4145 1 10 . 1 1 15 15 VAL CA C 15 67.096 67.096 66.450 0.646 18216
4146 1 10 . 1 1 15 15 VAL CB C 15 31.481 31.481 30.649 0.832 18216
4147 1 10 . 1 1 15 15 VAL H H 15 8.975 8.975 7.792 1.183 18216
4148 1 10 . 1 1 16 16 ALA N N 16 121.102 121.102 121.185 -0.083 18216
4149 1 10 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.360 -0.582 18216
4150 1 10 . 1 1 16 16 ALA C C 16 178.027 178.027 178.655 -0.628 18216
4151 1 10 . 1 1 16 16 ALA CA C 16 55.944 55.944 54.574 1.370 18216
4152 1 10 . 1 1 16 16 ALA CB C 16 18.234 18.234 18.668 -0.434 18216
4153 1 10 . 1 1 16 16 ALA H H 16 8.387 8.387 7.478 0.909 18216
4154 1 10 . 1 1 17 17 GLU N N 17 115.683 115.683 116.566 -0.883 18216
4155 1 10 . 1 1 17 17 GLU HA H 17 4.102 4.102 4.279 -0.177 18216
4156 1 10 . 1 1 17 17 GLU C C 17 177.810 177.810 177.683 0.127 18216
4157 1 10 . 1 1 17 17 GLU CA C 17 59.241 59.241 56.799 2.442 18216
4158 1 10 . 1 1 17 17 GLU CB C 17 30.175 30.175 30.691 -0.516 18216
4159 1 10 . 1 1 17 17 GLU H H 17 8.043 8.043 7.988 0.055 18216
4160 1 10 . 1 1 18 18 LYS N N 18 116.582 116.582 119.047 -2.465 18216
4161 1 10 . 1 1 18 18 LYS HA H 18 4.186 4.186 3.982 0.204 18216
4162 1 10 . 1 1 18 18 LYS C C 18 175.949 175.949 176.959 -1.010 18216
4163 1 10 . 1 1 18 18 LYS CA C 18 57.029 57.029 59.168 -2.139 18216
4164 1 10 . 1 1 18 18 LYS CB C 18 31.479 31.479 32.834 -1.355 18216
4165 1 10 . 1 1 18 18 LYS H H 18 8.669 8.669 7.953 0.716 18216
4166 1 10 . 1 1 19 19 LEU N N 19 113.633 113.633 117.448 -3.815 18216
4167 1 10 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.313 0.178 18216
4168 1 10 . 1 1 19 19 LEU C C 19 174.261 174.261 175.194 -0.933 18216
4169 1 10 . 1 1 19 19 LEU CA C 19 54.230 54.230 52.836 1.395 18216
4170 1 10 . 1 1 19 19 LEU CB C 19 40.477 40.477 41.463 -0.986 18216
4171 1 10 . 1 1 19 19 LEU H H 19 8.226 8.226 7.181 1.045 18216
4172 1 10 . 1 1 20 20 ASN N N 20 117.866 117.866 115.981 1.885 18216
4173 1 10 . 1 1 20 20 ASN HA H 20 4.416 4.416 4.463 -0.047 18216
4174 1 10 . 1 1 20 20 ASN C C 20 172.278 172.278 174.022 -1.744 18216
4175 1 10 . 1 1 20 20 ASN CA C 20 54.058 54.058 54.265 -0.207 18216
4176 1 10 . 1 1 20 20 ASN CB C 20 36.788 36.788 36.859 -0.071 18216
4177 1 10 . 1 1 20 20 ASN H H 20 7.616 7.616 8.071 -0.455 18216
4178 1 10 . 1 1 21 21 LYS N N 21 117.035 117.035 119.730 -2.695 18216
4179 1 10 . 1 1 21 21 LYS HA H 21 4.717 4.717 4.407 0.310 18216
4180 1 10 . 1 1 21 21 LYS C C 21 173.009 173.009 176.097 -3.088 18216
4181 1 10 . 1 1 21 21 LYS CA C 21 52.589 52.589 55.104 -2.515 18216
4182 1 10 . 1 1 21 21 LYS CB C 21 36.114 36.114 34.099 2.015 18216
4183 1 10 . 1 1 21 21 LYS H H 21 8.473 8.473 7.199 1.274 18216
4184 1 10 . 1 1 22 22 ASP N N 22 120.954 120.954 126.115 -5.161 18216
4185 1 10 . 1 1 22 22 ASP HA H 22 4.422 4.422 4.423 -0.001 18216
4186 1 10 . 1 1 22 22 ASP C C 22 175.257 175.257 177.774 -2.517 18216
4187 1 10 . 1 1 22 22 ASP CA C 22 54.220 54.220 54.839 -0.619 18216
4188 1 10 . 1 1 22 22 ASP CB C 22 41.895 41.895 42.553 -0.658 18216
4189 1 10 . 1 1 22 22 ASP H H 22 8.261 8.261 8.839 -0.578 18216
4190 1 10 . 1 1 23 23 LYS N N 23 125.865 125.865 123.872 1.993 18216
4191 1 10 . 1 1 23 23 LYS HA H 23 3.742 3.742 4.057 -0.315 18216
4192 1 10 . 1 1 23 23 LYS C C 23 175.599 175.599 176.996 -1.397 18216
4193 1 10 . 1 1 23 23 LYS CA C 23 59.607 59.607 58.665 0.942 18216
4194 1 10 . 1 1 23 23 LYS CB C 23 32.184 32.184 32.086 0.098 18216
4195 1 10 . 1 1 23 23 LYS H H 23 8.697 8.697 8.685 0.012 18216
4196 1 10 . 1 1 24 24 ALA N N 24 118.731 118.731 120.230 -1.499 18216
4197 1 10 . 1 1 24 24 ALA HA H 24 4.110 4.110 4.261 -0.151 18216
4198 1 10 . 1 1 24 24 ALA C C 24 177.449 177.449 178.300 -0.851 18216
4199 1 10 . 1 1 24 24 ALA CA C 24 54.192 54.192 53.246 0.946 18216
4200 1 10 . 1 1 24 24 ALA CB C 24 19.018 19.018 19.244 -0.227 18216
4201 1 10 . 1 1 24 24 ALA H H 24 8.509 8.509 8.009 0.500 18216
4202 1 10 . 1 1 25 25 ILE N N 25 110.020 110.020 116.194 -6.174 18216
4203 1 10 . 1 1 25 25 ILE HA H 25 4.406 4.406 4.318 0.088 18216
4204 1 10 . 1 1 25 25 ILE C C 25 173.524 173.524 175.974 -2.450 18216
4205 1 10 . 1 1 25 25 ILE CA C 25 60.373 60.373 60.930 -0.557 18216
4206 1 10 . 1 1 25 25 ILE CB C 25 38.423 38.423 38.729 -0.306 18216
4207 1 10 . 1 1 25 25 ILE H H 25 7.562 7.562 7.848 -0.286 18216
4208 1 10 . 1 1 26 26 ILE N N 26 122.932 122.932 122.050 0.882 18216
4209 1 10 . 1 1 26 26 ILE HA H 26 3.961 3.961 3.980 -0.019 18216
4210 1 10 . 1 1 26 26 ILE C C 26 172.610 172.610 175.207 -2.597 18216
4211 1 10 . 1 1 26 26 ILE CA C 26 61.520 61.520 62.228 -0.709 18216
4212 1 10 . 1 1 26 26 ILE CB C 26 37.367 37.367 36.320 1.047 18216
4213 1 10 . 1 1 26 26 ILE H H 26 7.377 7.377 7.590 -0.213 18216
4214 1 10 . 1 1 27 27 THR N N 27 116.747 116.747 117.846 -1.099 18216
4215 1 10 . 1 1 27 27 THR HA H 27 4.857 4.857 4.618 0.239 18216
4216 1 10 . 1 1 27 27 THR C C 27 174.186 174.186 175.607 -1.421 18216
4217 1 10 . 1 1 27 27 THR CA C 27 58.917 58.917 60.773 -1.856 18216
4218 1 10 . 1 1 27 27 THR CB C 27 72.257 72.257 71.436 0.821 18216
4219 1 10 . 1 1 27 27 THR H H 27 8.549 8.549 8.032 0.517 18216
4220 1 10 . 1 1 28 28 THR N N 28 110.578 110.578 115.242 -4.664 18216
4221 1 10 . 1 1 28 28 THR HA H 28 3.743 3.743 3.998 -0.255 18216
4222 1 10 . 1 1 28 28 THR C C 28 172.642 172.642 175.322 -2.680 18216
4223 1 10 . 1 1 28 28 THR CA C 28 65.306 65.306 65.486 -0.180 18216
4224 1 10 . 1 1 28 28 THR CB C 28 67.621 67.621 68.721 -1.100 18216
4225 1 10 . 1 1 28 28 THR H H 28 8.817 8.817 8.712 0.105 18216
4226 1 10 . 1 1 29 29 ASP N N 29 117.036 117.036 119.629 -2.593 18216
4227 1 10 . 1 1 29 29 ASP HA H 29 4.719 4.719 4.774 -0.055 18216
4228 1 10 . 1 1 29 29 ASP C C 29 174.246 174.246 175.419 -1.173 18216
4229 1 10 . 1 1 29 29 ASP CA C 29 54.208 54.208 52.335 1.873 18216
4230 1 10 . 1 1 29 29 ASP CB C 29 41.567 41.567 39.870 1.697 18216
4231 1 10 . 1 1 29 29 ASP H H 29 7.777 7.777 8.216 -0.439 18216
4232 1 10 . 1 1 30 30 SER N N 30 117.171 117.171 115.775 1.396 18216
4233 1 10 . 1 1 30 30 SER HA H 30 4.063 4.063 4.191 -0.128 18216
4234 1 10 . 1 1 30 30 SER C C 30 171.138 171.138 174.364 -3.226 18216
4235 1 10 . 1 1 30 30 SER CA C 30 61.581 61.581 59.751 1.830 18216
4236 1 10 . 1 1 30 30 SER CB C 30 63.349 63.349 63.724 -0.375 18216
4237 1 10 . 1 1 30 30 SER H H 30 7.619 7.619 7.481 0.138 18216
4238 1 10 . 1 1 31 31 ARG N N 31 124.648 124.648 127.283 -2.635 18216
4239 1 10 . 1 1 31 31 ARG HA H 31 4.644 4.644 4.250 0.394 18216
4240 1 10 . 1 1 31 31 ARG C C 31 176.660 176.660 176.487 0.173 18216
4241 1 10 . 1 1 31 31 ARG CA C 31 54.323 54.323 54.222 0.101 18216
4242 1 10 . 1 1 31 31 ARG CB C 31 30.539 30.539 29.025 1.514 18216
4243 1 10 . 1 1 31 31 ARG H H 31 10.379 10.379 8.819 1.560 18216
4244 1 10 . 1 1 32 32 PHE N N 32 124.068 124.068 118.703 5.365 18216
4245 1 10 . 1 1 32 32 PHE HA H 32 3.964 3.964 4.141 -0.177 18216
4246 1 10 . 1 1 32 32 PHE C C 32 173.376 173.376 177.207 -3.831 18216
4247 1 10 . 1 1 32 32 PHE CA C 32 62.578 62.578 60.507 2.071 18216
4248 1 10 . 1 1 32 32 PHE CB C 32 38.147 38.147 38.008 0.139 18216
4249 1 10 . 1 1 32 32 PHE H H 32 7.833 7.833 7.392 0.441 18216
4250 1 10 . 1 1 33 33 ILE N N 33 116.395 116.395 118.681 -2.286 18216
4251 1 10 . 1 1 33 33 ILE HA H 33 4.044 4.044 3.858 0.186 18216
4252 1 10 . 1 1 33 33 ILE C C 33 178.005 178.005 177.402 0.603 18216
4253 1 10 . 1 1 33 33 ILE CA C 33 64.293 64.293 63.801 0.492 18216
4254 1 10 . 1 1 33 33 ILE CB C 33 36.905 36.905 38.075 -1.170 18216
4255 1 10 . 1 1 33 33 ILE H H 33 8.696 8.696 7.367 1.329 18216
4256 1 10 . 1 1 34 34 GLU N N 34 117.346 117.346 119.354 -2.008 18216
4257 1 10 . 1 1 34 34 GLU HA H 34 3.859 3.859 4.151 -0.292 18216
4258 1 10 . 1 1 34 34 GLU C C 34 175.723 175.723 178.247 -2.524 18216
4259 1 10 . 1 1 34 34 GLU CA C 34 62.485 62.485 58.763 3.722 18216
4260 1 10 . 1 1 34 34 GLU CB C 34 29.032 29.032 29.594 -0.562 18216
4261 1 10 . 1 1 34 34 GLU H H 34 9.408 9.408 7.792 1.616 18216
4262 1 10 . 1 1 35 35 ASP N N 35 112.053 112.053 119.989 -7.936 18216
4263 1 10 . 1 1 35 35 ASP HA H 35 5.026 5.026 4.410 0.616 18216
4264 1 10 . 1 1 35 35 ASP C C 35 175.237 175.237 177.813 -2.576 18216
4265 1 10 . 1 1 35 35 ASP CA C 35 55.996 55.996 56.471 -0.475 18216
4266 1 10 . 1 1 35 35 ASP CB C 35 41.508 41.508 40.792 0.716 18216
4267 1 10 . 1 1 35 35 ASP H H 35 7.527 7.527 8.317 -0.790 18216
4268 1 10 . 1 1 36 36 LEU N N 36 115.898 115.898 118.587 -2.689 18216
4269 1 10 . 1 1 36 36 LEU HA H 36 4.274 4.274 4.293 -0.019 18216
4270 1 10 . 1 1 36 36 LEU C C 36 172.955 172.955 176.154 -3.199 18216
4271 1 10 . 1 1 36 36 LEU CA C 36 54.739 54.739 55.273 -0.534 18216
4272 1 10 . 1 1 36 36 LEU CB C 36 40.891 40.891 42.854 -1.963 18216
4273 1 10 . 1 1 36 36 LEU H H 36 7.648 7.648 7.601 0.047 18216
4274 1 10 . 1 1 37 37 LYS N N 37 114.307 114.307 116.470 -2.163 18216
4275 1 10 . 1 1 37 37 LYS HA H 37 4.207 4.207 4.098 0.109 18216
4276 1 10 . 1 1 37 37 LYS C C 37 174.539 174.539 175.265 -0.726 18216
4277 1 10 . 1 1 37 37 LYS CA C 37 55.942 55.942 56.843 -0.901 18216
4278 1 10 . 1 1 37 37 LYS CB C 37 28.513 28.513 29.154 -0.641 18216
4279 1 10 . 1 1 37 37 LYS H H 37 7.247 7.247 7.541 -0.294 18216
4280 1 10 . 1 1 38 38 ALA N N 38 121.453 121.453 122.109 -0.656 18216
4281 1 10 . 1 1 38 38 ALA HA H 38 4.392 4.392 4.166 0.226 18216
4282 1 10 . 1 1 38 38 ALA C C 38 175.605 175.605 177.436 -1.831 18216
4283 1 10 . 1 1 38 38 ALA CA C 38 52.008 52.008 52.750 -0.742 18216
4284 1 10 . 1 1 38 38 ALA CB C 38 20.568 20.568 19.671 0.897 18216
4285 1 10 . 1 1 38 38 ALA H H 38 8.442 8.442 7.649 0.793 18216
4286 1 10 . 1 1 39 39 ASP N N 39 123.391 123.391 122.101 1.290 18216
4287 1 10 . 1 1 39 39 ASP HA H 39 4.782 4.782 4.512 0.270 18216
4288 1 10 . 1 1 39 39 ASP C C 39 175.798 175.798 177.408 -1.610 18216
4289 1 10 . 1 1 39 39 ASP CA C 39 52.823 52.823 55.332 -2.509 18216
4290 1 10 . 1 1 39 39 ASP CB C 39 42.613 42.613 42.190 0.423 18216
4291 1 10 . 1 1 39 39 ASP H H 39 9.038 9.038 8.399 0.639 18216
4292 1 10 . 1 1 40 40 SER N N 40 116.961 116.961 117.024 -0.063 18216
4293 1 10 . 1 1 40 40 SER HA H 40 4.226 4.226 4.284 -0.058 18216
4294 1 10 . 1 1 40 40 SER C C 40 174.197 174.197 175.955 -1.758 18216
4295 1 10 . 1 1 40 40 SER CA C 40 60.234 60.234 60.742 -0.508 18216
4296 1 10 . 1 1 40 40 SER CB C 40 65.619 65.619 63.421 2.198 18216
4297 1 10 . 1 1 40 40 SER H H 40 8.936 8.936 8.610 0.326 18216
4298 1 10 . 1 1 41 41 LEU N N 41 124.152 124.152 116.914 7.238 18216
4299 1 10 . 1 1 41 41 LEU HA H 41 4.187 4.187 4.354 -0.167 18216
4300 1 10 . 1 1 41 41 LEU C C 41 175.316 175.316 177.198 -1.882 18216
4301 1 10 . 1 1 41 41 LEU CA C 41 57.873 57.873 57.086 0.787 18216
4302 1 10 . 1 1 41 41 LEU CB C 41 41.085 41.085 41.784 -0.699 18216
4303 1 10 . 1 1 41 41 LEU H H 41 8.279 8.279 7.849 0.430 18216
4304 1 10 . 1 1 42 42 ASP N N 42 120.193 120.193 119.040 1.153 18216
4305 1 10 . 1 1 42 42 ASP HA H 42 4.415 4.415 4.611 -0.196 18216
4306 1 10 . 1 1 42 42 ASP C C 42 176.858 176.858 178.170 -1.312 18216
4307 1 10 . 1 1 42 42 ASP CA C 42 57.144 57.144 57.437 -0.293 18216
4308 1 10 . 1 1 42 42 ASP CB C 42 40.895 40.895 40.696 0.199 18216
4309 1 10 . 1 1 42 42 ASP H H 42 8.002 8.002 8.418 -0.416 18216
4310 1 10 . 1 1 43 43 THR N N 43 112.919 112.919 116.196 -3.277 18216
4311 1 10 . 1 1 43 43 THR HA H 43 3.554 3.554 3.866 -0.312 18216
4312 1 10 . 1 1 43 43 THR CA C 43 66.658 66.658 66.203 0.455 18216
4313 1 10 . 1 1 43 43 THR CB C 43 68.423 68.423 68.555 -0.132 18216
4314 1 10 . 1 1 43 43 THR H H 43 7.939 7.939 7.754 0.185 18216
4315 1 10 . 1 1 44 44 VAL HA H 44 3.645 3.645 3.729 -0.084 18216
4316 1 10 . 1 1 44 44 VAL C C 44 176.576 176.576 177.553 -0.977 18216
4317 1 10 . 1 1 44 44 VAL CA C 44 66.873 66.873 65.320 1.553 18216
4318 1 10 . 1 1 44 44 VAL CB C 44 31.658 31.658 31.315 0.343 18216
4319 1 10 . 1 1 45 45 GLU N N 45 119.120 119.120 119.658 -0.538 18216
4320 1 10 . 1 1 45 45 GLU HA H 45 4.060 4.060 4.184 -0.124 18216
4321 1 10 . 1 1 45 45 GLU C C 45 178.332 178.332 178.914 -0.582 18216
4322 1 10 . 1 1 45 45 GLU CA C 45 59.618 59.618 58.795 0.823 18216
4323 1 10 . 1 1 45 45 GLU CB C 45 29.229 29.229 29.835 -0.606 18216
4324 1 10 . 1 1 45 45 GLU H H 45 7.867 7.867 7.703 0.164 18216
4325 1 10 . 1 1 46 46 LEU N N 46 121.527 121.527 120.526 1.001 18216
4326 1 10 . 1 1 46 46 LEU HA H 46 3.997 3.997 3.986 0.011 18216
4327 1 10 . 1 1 46 46 LEU C C 46 175.472 175.472 179.728 -4.256 18216
4328 1 10 . 1 1 46 46 LEU CA C 46 58.391 58.391 58.035 0.356 18216
4329 1 10 . 1 1 46 46 LEU CB C 46 41.312 41.312 42.175 -0.863 18216
4330 1 10 . 1 1 46 46 LEU H H 46 8.200 8.200 8.189 0.011 18216
4331 1 10 . 1 1 47 47 MET N N 47 117.675 117.675 116.743 0.932 18216
4332 1 10 . 1 1 47 47 MET HA H 47 4.141 4.141 4.087 0.054 18216
4333 1 10 . 1 1 47 47 MET C C 47 177.030 177.030 178.501 -1.471 18216
4334 1 10 . 1 1 47 47 MET CA C 47 57.924 57.924 58.383 -0.459 18216
4335 1 10 . 1 1 47 47 MET CB C 47 31.672 31.672 32.261 -0.589 18216
4336 1 10 . 1 1 47 47 MET H H 47 8.330 8.330 8.660 -0.330 18216
4337 1 10 . 1 1 48 48 MET N N 48 117.614 117.614 120.174 -2.560 18216
4338 1 10 . 1 1 48 48 MET HA H 48 4.343 4.343 4.167 0.176 18216
4339 1 10 . 1 1 48 48 MET C C 48 176.562 176.562 177.659 -1.097 18216
4340 1 10 . 1 1 48 48 MET CA C 48 58.942 58.942 57.672 1.270 18216
4341 1 10 . 1 1 48 48 MET CB C 48 32.951 32.951 31.608 1.343 18216
4342 1 10 . 1 1 48 48 MET H H 48 8.148 8.148 7.758 0.390 18216
4343 1 10 . 1 1 49 49 ALA N N 49 121.729 121.729 122.466 -0.737 18216
4344 1 10 . 1 1 49 49 ALA HA H 49 4.220 4.220 4.037 0.183 18216
4345 1 10 . 1 1 49 49 ALA C C 49 179.111 179.111 179.440 -0.329 18216
4346 1 10 . 1 1 49 49 ALA CA C 49 54.902 54.902 54.946 -0.044 18216
4347 1 10 . 1 1 49 49 ALA CB C 49 17.956 17.956 17.864 0.092 18216
4348 1 10 . 1 1 49 49 ALA H H 49 7.890 7.890 7.786 0.104 18216
4349 1 10 . 1 1 50 50 ILE N N 50 122.294 122.294 116.873 5.421 18216
4350 1 10 . 1 1 50 50 ILE HA H 50 3.716 3.716 3.928 -0.212 18216
4351 1 10 . 1 1 50 50 ILE C C 50 175.507 175.507 178.071 -2.564 18216
4352 1 10 . 1 1 50 50 ILE CA C 50 64.908 64.908 63.063 1.845 18216
4353 1 10 . 1 1 50 50 ILE CB C 50 36.664 36.664 36.519 0.145 18216
4354 1 10 . 1 1 50 50 ILE H H 50 8.428 8.428 8.106 0.322 18216
4355 1 10 . 1 1 51 51 GLU N N 51 120.060 120.060 119.991 0.069 18216
4356 1 10 . 1 1 51 51 GLU HA H 51 4.059 4.059 4.297 -0.238 18216
4357 1 10 . 1 1 51 51 GLU C C 51 178.398 178.398 178.921 -0.523 18216
4358 1 10 . 1 1 51 51 GLU CA C 51 60.419 60.419 58.828 1.591 18216
4359 1 10 . 1 1 51 51 GLU CB C 51 30.212 30.212 29.833 0.379 18216
4360 1 10 . 1 1 51 51 GLU H H 51 8.281 8.281 8.305 -0.024 18216
4361 1 10 . 1 1 52 52 VAL N N 52 117.342 117.342 115.611 1.731 18216
4362 1 10 . 1 1 52 52 VAL HA H 52 3.725 3.725 3.946 -0.221 18216
4363 1 10 . 1 1 52 52 VAL C C 52 176.701 176.701 177.745 -1.044 18216
4364 1 10 . 1 1 52 52 VAL CA C 52 65.682 65.682 64.553 1.129 18216
4365 1 10 . 1 1 52 52 VAL CB C 52 32.278 32.278 30.821 1.457 18216
4366 1 10 . 1 1 52 52 VAL H H 52 7.714 7.714 7.561 0.153 18216
4367 1 10 . 1 1 53 53 GLU N N 53 120.657 120.657 120.182 0.475 18216
4368 1 10 . 1 1 53 53 GLU HA H 53 3.876 3.876 4.181 -0.305 18216
4369 1 10 . 1 1 53 53 GLU C C 53 175.734 175.734 178.012 -2.278 18216
4370 1 10 . 1 1 53 53 GLU CA C 53 58.823 58.823 58.899 -0.076 18216
4371 1 10 . 1 1 53 53 GLU CB C 53 29.817 29.817 30.007 -0.190 18216
4372 1 10 . 1 1 53 53 GLU H H 53 8.191 8.191 8.176 0.015 18216
4373 1 10 . 1 1 54 54 TYR N N 54 111.170 111.170 117.226 -6.056 18216
4374 1 10 . 1 1 54 54 TYR HA H 54 4.483 4.483 4.422 0.061 18216
4375 1 10 . 1 1 54 54 TYR C C 54 174.031 174.031 176.344 -2.313 18216
4376 1 10 . 1 1 54 54 TYR CA C 54 59.478 59.478 58.630 0.848 18216
4377 1 10 . 1 1 54 54 TYR CB C 54 39.373 39.373 39.596 -0.223 18216
4378 1 10 . 1 1 54 54 TYR H H 54 8.106 8.106 7.692 0.414 18216
4379 1 10 . 1 1 55 55 GLY N N 55 112.483 112.483 108.625 3.858 18216
4380 1 10 . 1 1 55 55 GLY C C 55 172.863 172.863 174.073 -1.210 18216
4381 1 10 . 1 1 55 55 GLY CA C 55 47.593 47.593 45.385 2.208 18216
4382 1 10 . 1 1 55 55 GLY H H 55 8.047 8.047 7.956 0.091 18216
4383 1 10 . 1 1 56 56 ILE N N 56 112.002 112.002 113.493 -1.491 18216
4384 1 10 . 1 1 56 56 ILE HA H 56 4.692 4.692 4.567 0.125 18216
4385 1 10 . 1 1 56 56 ILE C C 56 171.179 171.179 173.408 -2.229 18216
4386 1 10 . 1 1 56 56 ILE CA C 56 58.776 58.776 58.180 0.596 18216
4387 1 10 . 1 1 56 56 ILE CB C 56 42.063 42.063 41.170 0.893 18216
4388 1 10 . 1 1 56 56 ILE H H 56 7.491 7.491 7.393 0.098 18216
4389 1 10 . 1 1 57 57 ASP N N 57 119.662 119.662 120.376 -0.714 18216
4390 1 10 . 1 1 57 57 ASP HA H 57 4.940 4.940 5.032 -0.092 18216
4391 1 10 . 1 1 57 57 ASP C C 57 174.016 174.016 175.100 -1.084 18216
4392 1 10 . 1 1 57 57 ASP CA C 57 52.946 52.946 53.781 -0.835 18216
4393 1 10 . 1 1 57 57 ASP CB C 57 43.115 43.115 43.648 -0.533 18216
4394 1 10 . 1 1 57 57 ASP H H 57 8.314 8.314 8.424 -0.110 18216
4395 1 10 . 1 1 58 58 ILE N N 58 125.903 125.903 122.392 3.511 18216
4396 1 10 . 1 1 58 58 ILE HA H 58 4.360 4.360 4.385 -0.025 18216
4397 1 10 . 1 1 58 58 ILE C C 58 170.591 170.591 174.245 -3.654 18216
4398 1 10 . 1 1 58 58 ILE CA C 58 59.354 59.354 58.748 0.606 18216
4399 1 10 . 1 1 58 58 ILE CB C 58 37.984 37.984 39.951 -1.967 18216
4400 1 10 . 1 1 58 58 ILE H H 58 9.901 9.901 8.341 1.560 18216
4401 1 10 . 1 1 59 59 PRO HA H 59 4.536 4.536 4.624 -0.088 18216
4402 1 10 . 1 1 59 59 PRO C C 59 175.502 175.502 177.291 -1.789 18216
4403 1 10 . 1 1 59 59 PRO CA C 59 62.523 62.523 62.219 0.304 18216
4404 1 10 . 1 1 59 59 PRO CB C 59 32.790 32.790 32.490 0.300 18216
4405 1 10 . 1 1 60 60 ASP N N 60 122.930 122.930 119.395 3.535 18216
4406 1 10 . 1 1 60 60 ASP HA H 60 4.233 4.233 4.188 0.045 18216
4407 1 10 . 1 1 60 60 ASP C C 60 175.742 175.742 178.175 -2.433 18216
4408 1 10 . 1 1 60 60 ASP CA C 60 57.966 57.966 57.169 0.797 18216
4409 1 10 . 1 1 60 60 ASP CB C 60 40.410 40.410 40.414 -0.005 18216
4410 1 10 . 1 1 60 60 ASP H H 60 8.880 8.880 8.580 0.300 18216
4411 1 10 . 1 1 61 61 ASP N N 61 115.336 115.336 119.211 -3.875 18216
4412 1 10 . 1 1 61 61 ASP HA H 61 4.342 4.342 4.414 -0.072 18216
4413 1 10 . 1 1 61 61 ASP C C 61 176.158 176.158 177.246 -1.088 18216
4414 1 10 . 1 1 61 61 ASP CA C 61 56.199 56.199 56.355 -0.156 18216
4415 1 10 . 1 1 61 61 ASP CB C 61 39.990 39.990 40.592 -0.602 18216
4416 1 10 . 1 1 61 61 ASP H H 61 8.736 8.736 8.664 0.072 18216
4417 1 10 . 1 1 62 62 GLU N N 62 118.044 118.044 117.225 0.819 18216
4418 1 10 . 1 1 62 62 GLU HA H 62 4.237 4.237 4.417 -0.180 18216
4419 1 10 . 1 1 62 62 GLU C C 62 177.114 177.114 176.963 0.151 18216
4420 1 10 . 1 1 62 62 GLU CA C 62 57.354 57.354 55.300 2.054 18216
4421 1 10 . 1 1 62 62 GLU CB C 62 29.151 29.151 29.054 0.097 18216
4422 1 10 . 1 1 62 62 GLU H H 62 7.419 7.419 7.921 -0.502 18216
4423 1 10 . 1 1 63 63 ALA N N 63 123.014 123.014 123.709 -0.695 18216
4424 1 10 . 1 1 63 63 ALA HA H 63 3.708 3.708 4.057 -0.349 18216
4425 1 10 . 1 1 63 63 ALA C C 63 177.936 177.936 178.515 -0.579 18216
4426 1 10 . 1 1 63 63 ALA CA C 63 55.400 55.400 55.026 0.374 18216
4427 1 10 . 1 1 63 63 ALA CB C 63 18.245 18.245 18.495 -0.250 18216
4428 1 10 . 1 1 63 63 ALA H H 63 8.338 8.338 7.521 0.817 18216
4429 1 10 . 1 1 64 64 THR N N 64 107.396 107.396 109.976 -2.580 18216
4430 1 10 . 1 1 64 64 THR HA H 64 4.038 4.038 4.267 -0.229 18216
4431 1 10 . 1 1 64 64 THR C C 64 173.058 173.058 174.836 -1.778 18216
4432 1 10 . 1 1 64 64 THR CA C 64 64.120 64.120 61.908 2.212 18216
4433 1 10 . 1 1 64 64 THR CB C 64 69.241 69.241 67.942 1.299 18216
4434 1 10 . 1 1 64 64 THR H H 64 7.534 7.534 8.348 -0.814 18216
4435 1 10 . 1 1 65 65 LYS N N 65 118.248 118.248 120.264 -2.016 18216
4436 1 10 . 1 1 65 65 LYS HA H 65 4.233 4.233 4.440 -0.207 18216
4437 1 10 . 1 1 65 65 LYS C C 65 174.655 174.655 175.183 -0.528 18216
4438 1 10 . 1 1 65 65 LYS CA C 65 56.591 56.591 56.139 0.452 18216
4439 1 10 . 1 1 65 65 LYS CB C 65 33.090 33.090 33.388 -0.298 18216
4440 1 10 . 1 1 65 65 LYS H H 65 7.201 7.201 7.967 -0.766 18216
4441 1 10 . 1 1 66 66 ILE N N 66 121.918 121.918 113.215 8.703 18216
4442 1 10 . 1 1 66 66 ILE HA H 66 3.872 3.872 4.521 -0.649 18216
4443 1 10 . 1 1 66 66 ILE C C 66 172.490 172.490 175.114 -2.624 18216
4444 1 10 . 1 1 66 66 ILE CA C 66 62.250 62.250 59.903 2.347 18216
4445 1 10 . 1 1 66 66 ILE CB C 66 37.132 37.132 38.345 -1.213 18216
4446 1 10 . 1 1 66 66 ILE H H 66 7.323 7.323 7.143 0.180 18216
4447 1 10 . 1 1 67 67 LYS N N 67 126.438 126.438 120.718 5.720 18216
4448 1 10 . 1 1 67 67 LYS HA H 67 4.787 4.787 4.241 0.546 18216
4449 1 10 . 1 1 67 67 LYS C C 67 176.156 176.156 176.267 -0.111 18216
4450 1 10 . 1 1 67 67 LYS CA C 67 56.078 56.078 58.049 -1.971 18216
4451 1 10 . 1 1 67 67 LYS CB C 67 35.435 35.435 32.727 2.708 18216
4452 1 10 . 1 1 67 67 LYS H H 67 9.625 9.625 8.421 1.204 18216
4453 1 10 . 1 1 68 68 THR N N 68 111.201 111.201 112.399 -1.198 18216
4454 1 10 . 1 1 68 68 THR HA H 68 5.041 5.041 4.383 0.658 18216
4455 1 10 . 1 1 68 68 THR C C 68 173.425 173.425 175.568 -2.143 18216
4456 1 10 . 1 1 68 68 THR CA C 68 58.436 58.436 61.133 -2.697 18216
4457 1 10 . 1 1 68 68 THR CB C 68 73.683 73.683 69.895 3.788 18216
4458 1 10 . 1 1 68 68 THR H H 68 8.308 8.308 7.552 0.756 18216
4459 1 10 . 1 1 69 69 VAL N N 69 120.740 120.740 123.014 -2.274 18216
4460 1 10 . 1 1 69 69 VAL HA H 69 3.456 3.456 3.696 -0.240 18216
4461 1 10 . 1 1 69 69 VAL C C 69 176.481 176.481 177.458 -0.977 18216
4462 1 10 . 1 1 69 69 VAL CA C 69 67.506 67.506 66.539 0.967 18216
4463 1 10 . 1 1 69 69 VAL CB C 69 31.255 31.255 30.928 0.327 18216
4464 1 10 . 1 1 69 69 VAL H H 69 7.685 7.685 8.605 -0.920 18216
4465 1 10 . 1 1 70 70 SER N N 70 114.441 114.441 113.199 1.242 18216
4466 1 10 . 1 1 70 70 SER HA H 70 4.094 4.094 4.274 -0.180 18216
4467 1 10 . 1 1 70 70 SER C C 70 174.461 174.461 175.840 -1.379 18216
4468 1 10 . 1 1 70 70 SER CA C 70 61.222 61.222 60.949 0.273 18216
4469 1 10 . 1 1 70 70 SER CB C 70 62.761 62.761 63.223 -0.462 18216
4470 1 10 . 1 1 70 70 SER H H 70 8.866 8.866 8.528 0.338 18216
4471 1 10 . 1 1 71 71 ASP N N 71 121.065 121.065 122.409 -1.344 18216
4472 1 10 . 1 1 71 71 ASP HA H 71 4.434 4.434 4.632 -0.198 18216
4473 1 10 . 1 1 71 71 ASP C C 71 177.272 177.272 178.293 -1.021 18216
4474 1 10 . 1 1 71 71 ASP CA C 71 57.801 57.801 56.435 1.366 18216
4475 1 10 . 1 1 71 71 ASP CB C 71 41.976 41.976 40.572 1.403 18216
4476 1 10 . 1 1 71 71 ASP H H 71 8.094 8.094 7.763 0.331 18216
4477 1 10 . 1 1 72 72 VAL N N 72 120.351 120.351 121.014 -0.663 18216
4478 1 10 . 1 1 72 72 VAL HA H 72 3.706 3.706 3.638 0.068 18216
4479 1 10 . 1 1 72 72 VAL C C 72 174.409 174.409 177.298 -2.889 18216
4480 1 10 . 1 1 72 72 VAL CA C 72 66.232 66.232 66.554 -0.322 18216
4481 1 10 . 1 1 72 72 VAL CB C 72 31.733 31.733 31.344 0.389 18216
4482 1 10 . 1 1 72 72 VAL H H 72 7.714 7.714 8.445 -0.731 18216
4483 1 10 . 1 1 73 73 ILE N N 73 120.114 120.114 117.304 2.810 18216
4484 1 10 . 1 1 73 73 ILE HA H 73 3.365 3.365 3.787 -0.422 18216
4485 1 10 . 1 1 73 73 ILE C C 73 175.111 175.111 178.542 -3.431 18216
4486 1 10 . 1 1 73 73 ILE CA C 73 66.114 66.114 63.343 2.771 18216
4487 1 10 . 1 1 73 73 ILE CB C 73 38.264 38.264 36.319 1.945 18216
4488 1 10 . 1 1 73 73 ILE H H 73 7.710 7.710 7.567 0.143 18216
4489 1 10 . 1 1 74 74 LYS N N 74 118.158 118.158 121.187 -3.029 18216
4490 1 10 . 1 1 74 74 LYS HA H 74 3.863 3.863 3.987 -0.124 18216
4491 1 10 . 1 1 74 74 LYS C C 74 175.814 175.814 178.253 -2.439 18216
4492 1 10 . 1 1 74 74 LYS CA C 74 59.868 59.868 59.268 0.600 18216
4493 1 10 . 1 1 74 74 LYS CB C 74 32.727 32.727 32.457 0.270 18216
4494 1 10 . 1 1 74 74 LYS H H 74 8.422 8.422 7.589 0.833 18216
4495 1 10 . 1 1 75 75 TYR N N 75 119.834 119.834 120.325 -0.491 18216
4496 1 10 . 1 1 75 75 TYR HA H 75 3.959 3.959 4.284 -0.325 18216
4497 1 10 . 1 1 75 75 TYR C C 75 176.122 176.122 178.084 -1.962 18216
4498 1 10 . 1 1 75 75 TYR CA C 75 62.025 62.025 61.425 0.600 18216
4499 1 10 . 1 1 75 75 TYR CB C 75 38.891 38.891 39.392 -0.501 18216
4500 1 10 . 1 1 75 75 TYR H H 75 7.701 7.701 8.081 -0.380 18216
4501 1 10 . 1 1 76 76 ILE N N 76 117.609 117.609 118.506 -0.897 18216
4502 1 10 . 1 1 76 76 ILE HA H 76 3.255 3.255 3.404 -0.149 18216
4503 1 10 . 1 1 76 76 ILE C C 76 176.730 176.730 177.370 -0.640 18216
4504 1 10 . 1 1 76 76 ILE CA C 76 65.383 65.383 64.996 0.387 18216
4505 1 10 . 1 1 76 76 ILE CB C 76 38.797 38.797 37.263 1.534 18216
4506 1 10 . 1 1 76 76 ILE H H 76 8.032 8.032 8.628 -0.596 18216
4507 1 10 . 1 1 77 77 LYS N N 77 117.750 117.750 120.154 -2.404 18216
4508 1 10 . 1 1 77 77 LYS HA H 77 3.804 3.804 3.861 -0.057 18216
4509 1 10 . 1 1 77 77 LYS C C 77 177.793 177.793 179.160 -1.367 18216
4510 1 10 . 1 1 77 77 LYS CA C 77 60.288 60.288 59.642 0.646 18216
4511 1 10 . 1 1 77 77 LYS CB C 77 32.504 32.504 31.786 0.718 18216
4512 1 10 . 1 1 77 77 LYS H H 77 8.353 8.353 7.624 0.729 18216
4513 1 10 . 1 1 78 78 GLU N N 78 117.517 117.517 118.556 -1.039 18216
4514 1 10 . 1 1 78 78 GLU HA H 78 4.048 4.048 4.066 -0.018 18216
4515 1 10 . 1 1 78 78 GLU C C 78 175.974 175.974 179.233 -3.259 18216
4516 1 10 . 1 1 78 78 GLU CA C 78 58.352 58.352 58.413 -0.061 18216
4517 1 10 . 1 1 78 78 GLU CB C 78 29.598 29.598 29.247 0.351 18216
4518 1 10 . 1 1 78 78 GLU H H 78 8.057 8.057 7.919 0.138 18216
4519 1 10 . 1 1 79 79 ARG N N 79 117.613 117.613 119.535 -1.922 18216
4520 1 10 . 1 1 79 79 ARG HA H 79 4.271 4.271 4.004 0.267 18216
4521 1 10 . 1 1 79 79 ARG C C 79 174.583 174.583 177.527 -2.944 18216
4522 1 10 . 1 1 79 79 ARG CA C 79 55.965 55.965 57.234 -1.269 18216
4523 1 10 . 1 1 79 79 ARG CB C 79 30.171 30.171 29.724 0.447 18216
4524 1 10 . 1 1 79 79 ARG H H 79 7.544 7.544 7.285 0.259 18216
4525 1 10 . 1 1 80 80 GLN N N 80 119.495 119.495 115.899 3.596 18216
4526 1 10 . 1 1 80 80 GLN HA H 80 4.400 4.400 4.394 0.006 18216
4527 1 10 . 1 1 80 80 GLN C C 80 173.178 173.178 176.245 -3.067 18216
4528 1 10 . 1 1 80 80 GLN CA C 80 56.114 56.114 55.312 0.802 18216
4529 1 10 . 1 1 80 80 GLN CB C 80 29.391 29.391 28.579 0.812 18216
4530 1 10 . 1 1 80 80 GLN H H 80 7.675 7.675 7.598 0.077 18216
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 74 3.155 0.261 3.165 18216
2 1 1 "Average Difference" HA 78 0.279 0.061 0.274 18216
3 1 1 "Average Difference" C 76 2.080 1.761 1.113 18216
4 1 1 "Average Difference" CA 77 1.487 -0.474 1.419 18216
5 1 1 "Average Difference" CB 76 1.097 -0.191 1.087 18216
6 1 1 "Average Difference" HN 74 0.638 -0.283 0.576 18216
7 1 2 "Average Difference" N 74 3.093 -0.068 3.113 18216
8 1 2 "Average Difference" HA 78 0.287 0.073 0.279 18216
9 1 2 "Average Difference" C 76 2.017 1.667 1.143 18216
10 1 2 "Average Difference" CA 77 1.511 -0.436 1.456 18216
11 1 2 "Average Difference" CB 76 1.128 -0.116 1.130 18216
12 1 2 "Average Difference" HN 74 0.657 -0.283 0.598 18216
13 1 3 "Average Difference" N 74 3.161 0.349 3.163 18216
14 1 3 "Average Difference" HA 78 0.258 0.046 0.256 18216
15 1 3 "Average Difference" C 76 2.008 1.714 1.053 18216
16 1 3 "Average Difference" CA 77 1.400 -0.443 1.337 18216
17 1 3 "Average Difference" CB 76 1.012 -0.167 1.004 18216
18 1 3 "Average Difference" HN 74 0.638 -0.230 0.599 18216
19 1 4 "Average Difference" N 74 3.053 0.296 3.060 18216
20 1 4 "Average Difference" HA 78 0.259 0.044 0.257 18216
21 1 4 "Average Difference" C 76 1.999 1.694 1.068 18216
22 1 4 "Average Difference" CA 77 1.410 -0.433 1.351 18216
23 1 4 "Average Difference" CB 76 1.100 -0.159 1.096 18216
24 1 4 "Average Difference" HN 74 0.631 -0.241 0.587 18216
25 1 5 "Average Difference" N 74 3.096 0.033 3.117 18216
26 1 5 "Average Difference" HA 78 0.251 0.052 0.248 18216
27 1 5 "Average Difference" C 76 2.030 1.755 1.026 18216
28 1 5 "Average Difference" CA 77 1.415 -0.390 1.369 18216
29 1 5 "Average Difference" CB 76 0.938 -0.137 0.934 18216
30 1 5 "Average Difference" HN 74 0.712 -0.279 0.660 18216
31 1 6 "Average Difference" N 74 2.954 0.358 2.952 18216
32 1 6 "Average Difference" HA 78 0.270 0.066 0.264 18216
33 1 6 "Average Difference" C 76 1.967 1.679 1.031 18216
34 1 6 "Average Difference" CA 77 1.400 -0.498 1.317 18216
35 1 6 "Average Difference" CB 76 1.023 -0.137 1.020 18216
36 1 6 "Average Difference" HN 74 0.682 -0.253 0.638 18216
37 1 7 "Average Difference" N 74 3.349 0.241 3.364 18216
38 1 7 "Average Difference" HA 78 0.260 0.056 0.256 18216
39 1 7 "Average Difference" C 76 1.998 1.712 1.037 18216
40 1 7 "Average Difference" CA 77 1.384 -0.457 1.315 18216
41 1 7 "Average Difference" CB 76 1.017 -0.120 1.017 18216
42 1 7 "Average Difference" HN 74 0.645 -0.255 0.597 18216
43 1 8 "Average Difference" N 74 3.237 0.373 3.237 18216
44 1 8 "Average Difference" HA 78 0.269 0.060 0.264 18216
45 1 8 "Average Difference" C 76 2.018 1.701 1.093 18216
46 1 8 "Average Difference" CA 77 1.465 -0.446 1.405 18216
47 1 8 "Average Difference" CB 76 0.927 -0.148 0.921 18216
48 1 8 "Average Difference" HN 74 0.655 -0.255 0.608 18216
49 1 9 "Average Difference" N 74 2.963 0.151 2.979 18216
50 1 9 "Average Difference" HA 78 0.277 0.053 0.273 18216
51 1 9 "Average Difference" C 76 2.043 1.716 1.116 18216
52 1 9 "Average Difference" CA 77 1.474 -0.444 1.415 18216
53 1 9 "Average Difference" CB 76 1.043 -0.179 1.034 18216
54 1 9 "Average Difference" HN 74 0.638 -0.285 0.574 18216
55 1 10 "Average Difference" N 74 3.043 0.261 3.053 18216
56 1 10 "Average Difference" HA 78 0.248 0.051 0.244 18216
57 1 10 "Average Difference" C 76 2.021 1.739 1.038 18216
58 1 10 "Average Difference" CA 77 1.381 -0.457 1.312 18216
59 1 10 "Average Difference" CB 76 1.033 -0.179 1.024 18216
60 1 10 "Average Difference" HN 74 0.625 -0.226 0.587 18216
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 18216
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 4 4 THR HA H 4 4.199 4.199 4.185 0.014 18216
2 1 . 1 1 4 4 THR C C 4 172.396 172.396 174.520 -2.124 18216
3 1 . 1 1 4 4 THR CA C 4 62.877 62.877 63.766 -0.889 18216
4 1 . 1 1 4 4 THR CB C 4 69.501 69.501 68.855 0.646 18216
5 1 . 1 1 5 5 ASP N N 5 123.982 123.982 121.100 2.882 18216
6 1 . 1 1 5 5 ASP HA H 5 4.560 4.560 4.503 0.057 18216
7 1 . 1 1 5 5 ASP C C 5 174.716 174.716 177.671 -2.955 18216
8 1 . 1 1 5 5 ASP CA C 5 54.733 54.733 56.175 -1.442 18216
9 1 . 1 1 5 5 ASP CB C 5 41.451 41.451 41.257 0.194 18216
10 1 . 1 1 5 5 ASP H H 5 8.457 8.457 8.423 0.034 18216
11 1 . 1 1 6 6 LYS N N 6 122.949 122.949 119.777 3.172 18216
12 1 . 1 1 6 6 LYS HA H 6 4.141 4.141 4.169 -0.028 18216
13 1 . 1 1 6 6 LYS C C 6 177.076 177.076 178.666 -1.590 18216
14 1 . 1 1 6 6 LYS CA C 6 58.725 58.725 58.329 0.396 18216
15 1 . 1 1 6 6 LYS CB C 6 32.481 32.481 32.138 0.343 18216
16 1 . 1 1 6 6 LYS H H 6 8.421 8.421 8.275 0.146 18216
17 1 . 1 1 7 7 ILE N N 7 121.024 121.024 118.358 2.666 18216
18 1 . 1 1 7 7 ILE HA H 7 4.036 4.036 3.810 0.226 18216
19 1 . 1 1 7 7 ILE C C 7 174.780 174.780 177.618 -2.838 18216
20 1 . 1 1 7 7 ILE CA C 7 64.418 64.418 64.659 -0.240 18216
21 1 . 1 1 7 7 ILE CB C 7 37.541 37.541 37.639 -0.098 18216
22 1 . 1 1 7 7 ILE H H 7 8.055 8.055 8.038 0.017 18216
23 1 . 1 1 8 8 GLU N N 8 119.901 119.901 119.083 0.818 18216
24 1 . 1 1 8 8 GLU HA H 8 3.620 3.620 3.943 -0.323 18216
25 1 . 1 1 8 8 GLU C C 8 175.403 175.403 178.551 -3.148 18216
26 1 . 1 1 8 8 GLU CA C 8 60.226 60.226 59.387 0.839 18216
27 1 . 1 1 8 8 GLU CB C 8 29.793 29.793 29.338 0.455 18216
28 1 . 1 1 8 8 GLU H H 8 8.178 8.178 7.949 0.229 18216
29 1 . 1 1 9 9 GLN N N 9 114.019 114.019 117.290 -3.271 18216
30 1 . 1 1 9 9 GLN HA H 9 3.887 3.887 4.292 -0.405 18216
31 1 . 1 1 9 9 GLN C C 9 176.383 176.383 178.060 -1.677 18216
32 1 . 1 1 9 9 GLN CA C 9 59.031 59.031 57.509 1.522 18216
33 1 . 1 1 9 9 GLN CB C 9 28.829 28.829 29.077 -0.248 18216
34 1 . 1 1 9 9 GLN H H 9 7.923 7.923 7.831 0.092 18216
35 1 . 1 1 10 10 LYS N N 10 119.999 119.999 120.816 -0.817 18216
36 1 . 1 1 10 10 LYS HA H 10 4.182 4.182 4.182 0.000 18216
37 1 . 1 1 10 10 LYS C C 10 176.671 176.671 178.231 -1.560 18216
38 1 . 1 1 10 10 LYS CA C 10 58.067 58.067 58.147 -0.080 18216
39 1 . 1 1 10 10 LYS CB C 10 31.522 31.522 32.297 -0.775 18216
40 1 . 1 1 10 10 LYS H H 10 7.783 7.783 8.009 -0.226 18216
41 1 . 1 1 11 11 VAL N N 11 119.291 119.291 121.434 -2.143 18216
42 1 . 1 1 11 11 VAL HA H 11 3.602 3.602 3.825 -0.223 18216
43 1 . 1 1 11 11 VAL C C 11 176.092 176.092 176.846 -0.754 18216
44 1 . 1 1 11 11 VAL CA C 11 67.715 67.715 65.724 1.991 18216
45 1 . 1 1 11 11 VAL CB C 11 30.791 30.791 31.860 -1.069 18216
46 1 . 1 1 11 11 VAL H H 11 8.928 8.928 7.870 1.058 18216
47 1 . 1 1 12 12 ILE N N 12 119.163 119.163 119.202 -0.039 18216
48 1 . 1 1 12 12 ILE HA H 12 3.413 3.413 3.727 -0.314 18216
49 1 . 1 1 12 12 ILE C C 12 175.417 175.417 177.200 -1.783 18216
50 1 . 1 1 12 12 ILE CA C 12 68.032 68.032 64.540 3.492 18216
51 1 . 1 1 12 12 ILE CB C 12 37.135 37.135 37.799 -0.664 18216
52 1 . 1 1 12 12 ILE H H 12 8.255 8.255 7.442 0.813 18216
53 1 . 1 1 13 13 GLU N N 13 118.515 118.515 118.805 -0.290 18216
54 1 . 1 1 13 13 GLU HA H 13 3.868 3.868 4.059 -0.191 18216
55 1 . 1 1 13 13 GLU C C 13 177.514 177.514 178.020 -0.506 18216
56 1 . 1 1 13 13 GLU CA C 13 60.145 60.145 58.712 1.433 18216
57 1 . 1 1 13 13 GLU CB C 13 29.487 29.487 29.523 -0.036 18216
58 1 . 1 1 13 13 GLU H H 13 7.821 7.821 8.012 -0.191 18216
59 1 . 1 1 14 14 MET N N 14 120.174 120.174 119.305 0.869 18216
60 1 . 1 1 14 14 MET HA H 14 4.168 4.168 4.156 0.012 18216
61 1 . 1 1 14 14 MET C C 14 176.631 176.631 177.838 -1.207 18216
62 1 . 1 1 14 14 MET CA C 14 59.409 59.409 58.267 1.142 18216
63 1 . 1 1 14 14 MET CB C 14 33.931 33.931 32.972 0.959 18216
64 1 . 1 1 14 14 MET H H 14 8.610 8.610 7.471 1.139 18216
65 1 . 1 1 15 15 VAL N N 15 120.579 120.579 118.673 1.906 18216
66 1 . 1 1 15 15 VAL HA H 15 3.441 3.441 3.579 -0.138 18216
67 1 . 1 1 15 15 VAL C C 15 175.086 175.086 177.787 -2.701 18216
68 1 . 1 1 15 15 VAL CA C 15 67.096 67.096 66.367 0.729 18216
69 1 . 1 1 15 15 VAL CB C 15 31.481 31.481 30.789 0.692 18216
70 1 . 1 1 15 15 VAL H H 15 8.975 8.975 8.152 0.823 18216
71 1 . 1 1 16 16 ALA N N 16 121.102 121.102 120.771 0.331 18216
72 1 . 1 1 16 16 ALA HA H 16 3.778 3.778 4.393 -0.615 18216
73 1 . 1 1 16 16 ALA C C 16 178.027 178.027 178.853 -0.826 18216
74 1 . 1 1 16 16 ALA CA C 16 55.944 55.944 54.399 1.545 18216
75 1 . 1 1 16 16 ALA CB C 16 18.234 18.234 18.636 -0.402 18216
76 1 . 1 1 16 16 ALA H H 16 8.387 8.387 7.582 0.805 18216
77 1 . 1 1 17 17 GLU N N 17 115.683 115.683 116.895 -1.211 18216
78 1 . 1 1 17 17 GLU HA H 17 4.102 4.102 4.302 -0.200 18216
79 1 . 1 1 17 17 GLU C C 17 177.810 177.810 177.806 0.004 18216
80 1 . 1 1 17 17 GLU CA C 17 59.241 59.241 57.078 2.163 18216
81 1 . 1 1 17 17 GLU CB C 17 30.175 30.175 30.175 -0.001 18216
82 1 . 1 1 17 17 GLU H H 17 8.043 8.043 7.973 0.070 18216
83 1 . 1 1 18 18 LYS N N 18 116.582 116.582 118.851 -2.269 18216
84 1 . 1 1 18 18 LYS HA H 18 4.186 4.186 4.027 0.158 18216
85 1 . 1 1 18 18 LYS C C 18 175.949 175.949 176.769 -0.820 18216
86 1 . 1 1 18 18 LYS CA C 18 57.029 57.029 58.858 -1.829 18216
87 1 . 1 1 18 18 LYS CB C 18 31.479 31.479 32.924 -1.445 18216
88 1 . 1 1 18 18 LYS H H 18 8.669 8.669 7.966 0.703 18216
89 1 . 1 1 19 19 LEU N N 19 113.633 113.633 117.420 -3.787 18216
90 1 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.303 0.188 18216
91 1 . 1 1 19 19 LEU C C 19 174.261 174.261 175.282 -1.021 18216
92 1 . 1 1 19 19 LEU CA C 19 54.230 54.230 52.986 1.244 18216
93 1 . 1 1 19 19 LEU CB C 19 40.477 40.477 41.096 -0.619 18216
94 1 . 1 1 19 19 LEU H H 19 8.226 8.226 7.305 0.921 18216
95 1 . 1 1 20 20 ASN N N 20 117.866 117.866 117.302 0.565 18216
96 1 . 1 1 20 20 ASN HA H 20 4.416 4.416 4.446 -0.030 18216
97 1 . 1 1 20 20 ASN C C 20 172.278 172.278 174.097 -1.819 18216
98 1 . 1 1 20 20 ASN CA C 20 54.058 54.058 54.118 -0.060 18216
99 1 . 1 1 20 20 ASN CB C 20 36.788 36.788 37.216 -0.428 18216
100 1 . 1 1 20 20 ASN H H 20 7.616 7.616 7.892 -0.276 18216
101 1 . 1 1 21 21 LYS N N 21 117.035 117.035 119.864 -2.829 18216
102 1 . 1 1 21 21 LYS HA H 21 4.717 4.717 4.398 0.319 18216
103 1 . 1 1 21 21 LYS C C 21 173.009 173.009 175.923 -2.914 18216
104 1 . 1 1 21 21 LYS CA C 21 52.589 52.589 55.146 -2.557 18216
105 1 . 1 1 21 21 LYS CB C 21 36.114 36.114 33.965 2.149 18216
106 1 . 1 1 21 21 LYS H H 21 8.473 8.473 7.352 1.121 18216
107 1 . 1 1 22 22 ASP N N 22 120.954 120.954 126.354 -5.400 18216
108 1 . 1 1 22 22 ASP HA H 22 4.422 4.422 4.445 -0.023 18216
109 1 . 1 1 22 22 ASP C C 22 175.257 175.257 177.658 -2.401 18216
110 1 . 1 1 22 22 ASP CA C 22 54.220 54.220 54.861 -0.641 18216
111 1 . 1 1 22 22 ASP CB C 22 41.895 41.895 42.476 -0.581 18216
112 1 . 1 1 22 22 ASP H H 22 8.261 8.261 8.831 -0.570 18216
113 1 . 1 1 23 23 LYS N N 23 125.865 125.865 124.215 1.650 18216
114 1 . 1 1 23 23 LYS HA H 23 3.742 3.742 4.049 -0.307 18216
115 1 . 1 1 23 23 LYS C C 23 175.599 175.599 176.983 -1.384 18216
116 1 . 1 1 23 23 LYS CA C 23 59.607 59.607 58.706 0.900 18216
117 1 . 1 1 23 23 LYS CB C 23 32.184 32.184 32.111 0.073 18216
118 1 . 1 1 23 23 LYS H H 23 8.697 8.697 8.643 0.055 18216
119 1 . 1 1 24 24 ALA N N 24 118.731 118.731 120.171 -1.440 18216
120 1 . 1 1 24 24 ALA HA H 24 4.110 4.110 4.268 -0.158 18216
121 1 . 1 1 24 24 ALA C C 24 177.449 177.449 178.045 -0.596 18216
122 1 . 1 1 24 24 ALA CA C 24 54.192 54.192 53.192 1.000 18216
123 1 . 1 1 24 24 ALA CB C 24 19.018 19.018 19.121 -0.103 18216
124 1 . 1 1 24 24 ALA H H 24 8.509 8.509 7.966 0.543 18216
125 1 . 1 1 25 25 ILE N N 25 110.020 110.020 116.286 -6.266 18216
126 1 . 1 1 25 25 ILE HA H 25 4.406 4.406 4.231 0.174 18216
127 1 . 1 1 25 25 ILE C C 25 173.524 173.524 175.837 -2.313 18216
128 1 . 1 1 25 25 ILE CA C 25 60.373 60.373 61.376 -1.003 18216
129 1 . 1 1 25 25 ILE CB C 25 38.423 38.423 39.626 -1.203 18216
130 1 . 1 1 25 25 ILE H H 25 7.562 7.562 7.747 -0.185 18216
131 1 . 1 1 26 26 ILE N N 26 122.932 122.932 122.366 0.566 18216
132 1 . 1 1 26 26 ILE HA H 26 3.961 3.961 3.977 -0.016 18216
133 1 . 1 1 26 26 ILE C C 26 172.610 172.610 175.626 -3.016 18216
134 1 . 1 1 26 26 ILE CA C 26 61.520 61.520 62.065 -0.545 18216
135 1 . 1 1 26 26 ILE CB C 26 37.367 37.367 36.104 1.263 18216
136 1 . 1 1 26 26 ILE H H 26 7.377 7.377 7.566 -0.189 18216
137 1 . 1 1 27 27 THR N N 27 116.747 116.747 118.335 -1.588 18216
138 1 . 1 1 27 27 THR HA H 27 4.857 4.857 4.676 0.181 18216
139 1 . 1 1 27 27 THR C C 27 174.186 174.186 175.242 -1.056 18216
140 1 . 1 1 27 27 THR CA C 27 58.917 58.917 60.293 -1.376 18216
141 1 . 1 1 27 27 THR CB C 27 72.257 72.257 71.409 0.848 18216
142 1 . 1 1 27 27 THR H H 27 8.549 8.549 7.895 0.654 18216
143 1 . 1 1 28 28 THR N N 28 110.578 110.578 113.384 -2.806 18216
144 1 . 1 1 28 28 THR HA H 28 3.743 3.743 4.064 -0.321 18216
145 1 . 1 1 28 28 THR C C 28 172.642 172.642 175.107 -2.465 18216
146 1 . 1 1 28 28 THR CA C 28 65.306 65.306 64.797 0.509 18216
147 1 . 1 1 28 28 THR CB C 28 67.621 67.621 68.917 -1.296 18216
148 1 . 1 1 28 28 THR H H 28 8.817 8.817 8.585 0.232 18216
149 1 . 1 1 29 29 ASP N N 29 117.036 117.036 119.850 -2.814 18216
150 1 . 1 1 29 29 ASP HA H 29 4.719 4.719 4.737 -0.018 18216
151 1 . 1 1 29 29 ASP C C 29 174.246 174.246 175.653 -1.407 18216
152 1 . 1 1 29 29 ASP CA C 29 54.208 54.208 53.314 0.894 18216
153 1 . 1 1 29 29 ASP CB C 29 41.567 41.567 40.452 1.115 18216
154 1 . 1 1 29 29 ASP H H 29 7.777 7.777 8.174 -0.398 18216
155 1 . 1 1 30 30 SER N N 30 117.171 117.171 115.642 1.529 18216
156 1 . 1 1 30 30 SER HA H 30 4.063 4.063 4.214 -0.151 18216
157 1 . 1 1 30 30 SER C C 30 171.138 171.138 174.485 -3.347 18216
158 1 . 1 1 30 30 SER CA C 30 61.581 61.581 59.656 1.925 18216
159 1 . 1 1 30 30 SER CB C 30 63.349 63.349 63.255 0.094 18216
160 1 . 1 1 30 30 SER H H 30 7.619 7.619 7.650 -0.031 18216
161 1 . 1 1 31 31 ARG N N 31 124.648 124.648 125.923 -1.275 18216
162 1 . 1 1 31 31 ARG HA H 31 4.644 4.644 4.252 0.392 18216
163 1 . 1 1 31 31 ARG C C 31 176.660 176.660 176.533 0.127 18216
164 1 . 1 1 31 31 ARG CA C 31 54.323 54.323 54.505 -0.182 18216
165 1 . 1 1 31 31 ARG CB C 31 30.539 30.539 29.552 0.987 18216
166 1 . 1 1 31 31 ARG H H 31 10.379 10.379 8.412 1.967 18216
167 1 . 1 1 32 32 PHE N N 32 124.068 124.068 118.379 5.689 18216
168 1 . 1 1 32 32 PHE HA H 32 3.964 3.964 4.182 -0.218 18216
169 1 . 1 1 32 32 PHE C C 32 173.376 173.376 177.271 -3.895 18216
170 1 . 1 1 32 32 PHE CA C 32 62.578 62.578 60.147 2.431 18216
171 1 . 1 1 32 32 PHE CB C 32 38.147 38.147 37.895 0.252 18216
172 1 . 1 1 32 32 PHE H H 32 7.833 7.833 7.427 0.406 18216
173 1 . 1 1 33 33 ILE N N 33 116.395 116.395 119.712 -3.317 18216
174 1 . 1 1 33 33 ILE HA H 33 4.044 4.044 3.818 0.226 18216
175 1 . 1 1 33 33 ILE C C 33 178.005 178.005 177.277 0.727 18216
176 1 . 1 1 33 33 ILE CA C 33 64.293 64.293 63.751 0.542 18216
177 1 . 1 1 33 33 ILE CB C 33 36.905 36.905 37.909 -1.004 18216
178 1 . 1 1 33 33 ILE H H 33 8.696 8.696 7.496 1.200 18216
179 1 . 1 1 34 34 GLU N N 34 117.346 117.346 118.857 -1.511 18216
180 1 . 1 1 34 34 GLU HA H 34 3.859 3.859 4.149 -0.290 18216
181 1 . 1 1 34 34 GLU C C 34 175.723 175.723 178.331 -2.608 18216
182 1 . 1 1 34 34 GLU CA C 34 62.485 62.485 58.699 3.786 18216
183 1 . 1 1 34 34 GLU CB C 34 29.032 29.032 29.645 -0.613 18216
184 1 . 1 1 34 34 GLU H H 34 9.408 9.408 7.769 1.639 18216
185 1 . 1 1 35 35 ASP N N 35 112.053 112.053 119.719 -7.666 18216
186 1 . 1 1 35 35 ASP HA H 35 5.026 5.026 4.418 0.608 18216
187 1 . 1 1 35 35 ASP C C 35 175.237 175.237 177.929 -2.692 18216
188 1 . 1 1 35 35 ASP CA C 35 55.996 55.996 56.696 -0.700 18216
189 1 . 1 1 35 35 ASP CB C 35 41.508 41.508 40.990 0.517 18216
190 1 . 1 1 35 35 ASP H H 35 7.527 7.527 8.318 -0.791 18216
191 1 . 1 1 36 36 LEU N N 36 115.898 115.898 118.552 -2.654 18216
192 1 . 1 1 36 36 LEU HA H 36 4.274 4.274 4.347 -0.073 18216
193 1 . 1 1 36 36 LEU C C 36 172.955 172.955 176.181 -3.226 18216
194 1 . 1 1 36 36 LEU CA C 36 54.739 54.739 55.089 -0.350 18216
195 1 . 1 1 36 36 LEU CB C 36 40.891 40.891 42.570 -1.679 18216
196 1 . 1 1 36 36 LEU H H 36 7.648 7.648 7.701 -0.053 18216
197 1 . 1 1 37 37 LYS N N 37 114.307 114.307 116.993 -2.686 18216
198 1 . 1 1 37 37 LYS HA H 37 4.207 4.207 4.078 0.129 18216
199 1 . 1 1 37 37 LYS C C 37 174.539 174.539 175.326 -0.787 18216
200 1 . 1 1 37 37 LYS CA C 37 55.942 55.942 56.724 -0.782 18216
201 1 . 1 1 37 37 LYS CB C 37 28.513 28.513 29.518 -1.005 18216
202 1 . 1 1 37 37 LYS H H 37 7.247 7.247 7.402 -0.155 18216
203 1 . 1 1 38 38 ALA N N 38 121.453 121.453 122.187 -0.734 18216
204 1 . 1 1 38 38 ALA HA H 38 4.392 4.392 4.163 0.229 18216
205 1 . 1 1 38 38 ALA C C 38 175.605 175.605 177.289 -1.684 18216
206 1 . 1 1 38 38 ALA CA C 38 52.008 52.008 52.682 -0.674 18216
207 1 . 1 1 38 38 ALA CB C 38 20.568 20.568 19.551 1.017 18216
208 1 . 1 1 38 38 ALA H H 38 8.442 8.442 7.641 0.801 18216
209 1 . 1 1 39 39 ASP N N 39 123.391 123.391 123.649 -0.258 18216
210 1 . 1 1 39 39 ASP HA H 39 4.782 4.782 4.573 0.209 18216
211 1 . 1 1 39 39 ASP C C 39 175.798 175.798 177.338 -1.540 18216
212 1 . 1 1 39 39 ASP CA C 39 52.823 52.823 54.526 -1.703 18216
213 1 . 1 1 39 39 ASP CB C 39 42.613 42.613 41.933 0.680 18216
214 1 . 1 1 39 39 ASP H H 39 9.038 9.038 8.399 0.639 18216
215 1 . 1 1 40 40 SER N N 40 116.961 116.961 115.269 1.692 18216
216 1 . 1 1 40 40 SER HA H 40 4.226 4.226 4.309 -0.083 18216
217 1 . 1 1 40 40 SER C C 40 174.197 174.197 176.313 -2.116 18216
218 1 . 1 1 40 40 SER CA C 40 60.234 60.234 61.018 -0.783 18216
219 1 . 1 1 40 40 SER CB C 40 65.619 65.619 63.533 2.086 18216
220 1 . 1 1 40 40 SER H H 40 8.936 8.936 8.516 0.420 18216
221 1 . 1 1 41 41 LEU N N 41 124.152 124.152 117.125 7.027 18216
222 1 . 1 1 41 41 LEU HA H 41 4.187 4.187 4.372 -0.185 18216
223 1 . 1 1 41 41 LEU C C 41 175.316 175.316 177.325 -2.009 18216
224 1 . 1 1 41 41 LEU CA C 41 57.873 57.873 57.173 0.700 18216
225 1 . 1 1 41 41 LEU CB C 41 41.085 41.085 41.183 -0.098 18216
226 1 . 1 1 41 41 LEU H H 41 8.279 8.279 7.975 0.304 18216
227 1 . 1 1 42 42 ASP N N 42 120.193 120.193 119.036 1.157 18216
228 1 . 1 1 42 42 ASP HA H 42 4.415 4.415 4.543 -0.128 18216
229 1 . 1 1 42 42 ASP C C 42 176.858 176.858 178.224 -1.366 18216
230 1 . 1 1 42 42 ASP CA C 42 57.144 57.144 57.087 0.057 18216
231 1 . 1 1 42 42 ASP CB C 42 40.895 40.895 40.617 0.278 18216
232 1 . 1 1 42 42 ASP H H 42 8.002 8.002 8.363 -0.360 18216
233 1 . 1 1 43 43 THR N N 43 112.919 112.919 115.438 -2.519 18216
234 1 . 1 1 43 43 THR HA H 43 3.554 3.554 3.969 -0.415 18216
235 1 . 1 1 43 43 THR CA C 43 66.658 66.658 65.953 0.705 18216
236 1 . 1 1 43 43 THR CB C 43 68.423 68.423 68.393 0.030 18216
237 1 . 1 1 43 43 THR H H 43 7.939 7.939 7.752 0.187 18216
238 1 . 1 1 44 44 VAL HA H 44 3.645 3.645 3.670 -0.025 18216
239 1 . 1 1 44 44 VAL C C 44 176.576 176.576 177.759 -1.183 18216
240 1 . 1 1 44 44 VAL CA C 44 66.873 66.873 66.259 0.613 18216
241 1 . 1 1 44 44 VAL CB C 44 31.658 31.658 31.061 0.597 18216
242 1 . 1 1 45 45 GLU N N 45 119.120 119.120 119.690 -0.570 18216
243 1 . 1 1 45 45 GLU HA H 45 4.060 4.060 4.183 -0.123 18216
244 1 . 1 1 45 45 GLU C C 45 178.332 178.332 178.888 -0.556 18216
245 1 . 1 1 45 45 GLU CA C 45 59.618 59.618 58.696 0.922 18216
246 1 . 1 1 45 45 GLU CB C 45 29.229 29.229 29.858 -0.629 18216
247 1 . 1 1 45 45 GLU H H 45 7.867 7.867 7.616 0.251 18216
248 1 . 1 1 46 46 LEU N N 46 121.527 121.527 120.269 1.258 18216
249 1 . 1 1 46 46 LEU HA H 46 3.997 3.997 3.972 0.025 18216
250 1 . 1 1 46 46 LEU C C 46 175.472 175.472 179.612 -4.140 18216
251 1 . 1 1 46 46 LEU CA C 46 58.391 58.391 58.032 0.359 18216
252 1 . 1 1 46 46 LEU CB C 46 41.312 41.312 42.076 -0.764 18216
253 1 . 1 1 46 46 LEU H H 46 8.200 8.200 8.246 -0.046 18216
254 1 . 1 1 47 47 MET N N 47 117.675 117.675 115.958 1.717 18216
255 1 . 1 1 47 47 MET HA H 47 4.141 4.141 4.058 0.083 18216
256 1 . 1 1 47 47 MET C C 47 177.030 177.030 178.358 -1.328 18216
257 1 . 1 1 47 47 MET CA C 47 57.924 57.924 58.288 -0.364 18216
258 1 . 1 1 47 47 MET CB C 47 31.672 31.672 32.369 -0.697 18216
259 1 . 1 1 47 47 MET H H 47 8.330 8.330 8.437 -0.107 18216
260 1 . 1 1 48 48 MET N N 48 117.614 117.614 120.472 -2.858 18216
261 1 . 1 1 48 48 MET HA H 48 4.343 4.343 4.342 0.001 18216
262 1 . 1 1 48 48 MET C C 48 176.562 176.562 177.750 -1.188 18216
263 1 . 1 1 48 48 MET CA C 48 58.942 58.942 57.525 1.417 18216
264 1 . 1 1 48 48 MET CB C 48 32.951 32.951 31.830 1.121 18216
265 1 . 1 1 48 48 MET H H 48 8.148 8.148 7.717 0.431 18216
266 1 . 1 1 49 49 ALA N N 49 121.729 121.729 122.342 -0.613 18216
267 1 . 1 1 49 49 ALA HA H 49 4.220 4.220 4.060 0.160 18216
268 1 . 1 1 49 49 ALA C C 49 179.111 179.111 179.463 -0.352 18216
269 1 . 1 1 49 49 ALA CA C 49 54.902 54.902 54.910 -0.008 18216
270 1 . 1 1 49 49 ALA CB C 49 17.956 17.956 17.851 0.104 18216
271 1 . 1 1 49 49 ALA H H 49 7.890 7.890 7.842 0.048 18216
272 1 . 1 1 50 50 ILE N N 50 122.294 122.294 116.677 5.617 18216
273 1 . 1 1 50 50 ILE HA H 50 3.716 3.716 3.936 -0.220 18216
274 1 . 1 1 50 50 ILE C C 50 175.507 175.507 178.100 -2.593 18216
275 1 . 1 1 50 50 ILE CA C 50 64.908 64.908 62.703 2.205 18216
276 1 . 1 1 50 50 ILE CB C 50 36.664 36.664 36.621 0.043 18216
277 1 . 1 1 50 50 ILE H H 50 8.428 8.428 7.984 0.444 18216
278 1 . 1 1 51 51 GLU N N 51 120.060 120.060 120.222 -0.163 18216
279 1 . 1 1 51 51 GLU HA H 51 4.059 4.059 4.351 -0.292 18216
280 1 . 1 1 51 51 GLU C C 51 178.398 178.398 179.317 -0.919 18216
281 1 . 1 1 51 51 GLU CA C 51 60.419 60.419 59.212 1.207 18216
282 1 . 1 1 51 51 GLU CB C 51 30.212 30.212 30.030 0.182 18216
283 1 . 1 1 51 51 GLU H H 51 8.281 8.281 8.182 0.099 18216
284 1 . 1 1 52 52 VAL N N 52 117.342 117.342 116.037 1.305 18216
285 1 . 1 1 52 52 VAL HA H 52 3.725 3.725 3.909 -0.185 18216
286 1 . 1 1 52 52 VAL C C 52 176.701 176.701 177.401 -0.700 18216
287 1 . 1 1 52 52 VAL CA C 52 65.682 65.682 65.221 0.461 18216
288 1 . 1 1 52 52 VAL CB C 52 32.278 32.278 31.168 1.110 18216
289 1 . 1 1 52 52 VAL H H 52 7.714 7.714 7.575 0.139 18216
290 1 . 1 1 53 53 GLU N N 53 120.657 120.657 120.491 0.166 18216
291 1 . 1 1 53 53 GLU HA H 53 3.876 3.876 4.150 -0.274 18216
292 1 . 1 1 53 53 GLU C C 53 175.734 175.734 177.979 -2.245 18216
293 1 . 1 1 53 53 GLU CA C 53 58.823 58.823 58.541 0.281 18216
294 1 . 1 1 53 53 GLU CB C 53 29.817 29.817 29.869 -0.052 18216
295 1 . 1 1 53 53 GLU H H 53 8.191 8.191 8.047 0.144 18216
296 1 . 1 1 54 54 TYR N N 54 111.170 111.170 117.555 -6.385 18216
297 1 . 1 1 54 54 TYR HA H 54 4.483 4.483 4.418 0.065 18216
298 1 . 1 1 54 54 TYR C C 54 174.031 174.031 176.804 -2.773 18216
299 1 . 1 1 54 54 TYR CA C 54 59.478 59.478 59.035 0.443 18216
300 1 . 1 1 54 54 TYR CB C 54 39.373 39.373 39.488 -0.115 18216
301 1 . 1 1 54 54 TYR H H 54 8.106 8.106 7.688 0.418 18216
302 1 . 1 1 55 55 GLY N N 55 112.483 112.483 107.754 4.729 18216
303 1 . 1 1 55 55 GLY C C 55 172.863 172.863 174.012 -1.149 18216
304 1 . 1 1 55 55 GLY CA C 55 47.593 47.593 45.370 2.223 18216
305 1 . 1 1 55 55 GLY H H 55 8.047 8.047 8.075 -0.028 18216
306 1 . 1 1 56 56 ILE N N 56 112.002 112.002 113.516 -1.514 18216
307 1 . 1 1 56 56 ILE HA H 56 4.692 4.692 4.582 0.110 18216
308 1 . 1 1 56 56 ILE C C 56 171.179 171.179 173.606 -2.427 18216
309 1 . 1 1 56 56 ILE CA C 56 58.776 58.776 58.315 0.461 18216
310 1 . 1 1 56 56 ILE CB C 56 42.063 42.063 40.670 1.393 18216
311 1 . 1 1 56 56 ILE H H 56 7.491 7.491 7.375 0.116 18216
312 1 . 1 1 57 57 ASP N N 57 119.662 119.662 120.428 -0.766 18216
313 1 . 1 1 57 57 ASP HA H 57 4.940 4.940 4.996 -0.056 18216
314 1 . 1 1 57 57 ASP C C 57 174.016 174.016 174.885 -0.869 18216
315 1 . 1 1 57 57 ASP CA C 57 52.946 52.946 53.821 -0.875 18216
316 1 . 1 1 57 57 ASP CB C 57 43.115 43.115 43.273 -0.158 18216
317 1 . 1 1 57 57 ASP H H 57 8.314 8.314 8.383 -0.069 18216
318 1 . 1 1 58 58 ILE N N 58 125.903 125.903 123.131 2.772 18216
319 1 . 1 1 58 58 ILE HA H 58 4.360 4.360 4.469 -0.109 18216
320 1 . 1 1 58 58 ILE C C 58 170.591 170.591 173.909 -3.317 18216
321 1 . 1 1 58 58 ILE CA C 58 59.354 59.354 58.590 0.764 18216
322 1 . 1 1 58 58 ILE CB C 58 37.984 37.984 40.291 -2.306 18216
323 1 . 1 1 58 58 ILE H H 58 9.901 9.901 8.329 1.572 18216
324 1 . 1 1 59 59 PRO HA H 59 4.536 4.536 4.657 -0.121 18216
325 1 . 1 1 59 59 PRO C C 59 175.502 175.502 177.102 -1.600 18216
326 1 . 1 1 59 59 PRO CA C 59 62.523 62.523 62.057 0.466 18216
327 1 . 1 1 59 59 PRO CB C 59 32.790 32.790 32.714 0.076 18216
328 1 . 1 1 60 60 ASP N N 60 122.930 122.930 120.062 2.868 18216
329 1 . 1 1 60 60 ASP HA H 60 4.233 4.233 4.253 -0.020 18216
330 1 . 1 1 60 60 ASP C C 60 175.742 175.742 178.164 -2.422 18216
331 1 . 1 1 60 60 ASP CA C 60 57.966 57.966 57.464 0.502 18216
332 1 . 1 1 60 60 ASP CB C 60 40.410 40.410 40.410 0.000 18216
333 1 . 1 1 60 60 ASP H H 60 8.880 8.880 8.686 0.194 18216
334 1 . 1 1 61 61 ASP N N 61 115.336 115.336 118.903 -3.567 18216
335 1 . 1 1 61 61 ASP HA H 61 4.342 4.342 4.424 -0.082 18216
336 1 . 1 1 61 61 ASP C C 61 176.158 176.158 177.519 -1.361 18216
337 1 . 1 1 61 61 ASP CA C 61 56.199 56.199 56.609 -0.409 18216
338 1 . 1 1 61 61 ASP CB C 61 39.990 39.990 40.445 -0.455 18216
339 1 . 1 1 61 61 ASP H H 61 8.736 8.736 8.676 0.060 18216
340 1 . 1 1 62 62 GLU N N 62 118.044 118.044 116.474 1.570 18216
341 1 . 1 1 62 62 GLU HA H 62 4.237 4.237 4.421 -0.184 18216
342 1 . 1 1 62 62 GLU C C 62 177.114 177.114 176.773 0.341 18216
343 1 . 1 1 62 62 GLU CA C 62 57.354 57.354 55.069 2.285 18216
344 1 . 1 1 62 62 GLU CB C 62 29.151 29.151 28.900 0.251 18216
345 1 . 1 1 62 62 GLU H H 62 7.419 7.419 7.951 -0.532 18216
346 1 . 1 1 63 63 ALA N N 63 123.014 123.014 123.216 -0.202 18216
347 1 . 1 1 63 63 ALA HA H 63 3.708 3.708 4.128 -0.420 18216
348 1 . 1 1 63 63 ALA C C 63 177.936 177.936 177.840 0.096 18216
349 1 . 1 1 63 63 ALA CA C 63 55.400 55.400 54.662 0.738 18216
350 1 . 1 1 63 63 ALA CB C 63 18.245 18.245 18.669 -0.424 18216
351 1 . 1 1 63 63 ALA H H 63 8.338 8.338 7.470 0.868 18216
352 1 . 1 1 64 64 THR N N 64 107.396 107.396 106.927 0.469 18216
353 1 . 1 1 64 64 THR HA H 64 4.038 4.038 4.322 -0.284 18216
354 1 . 1 1 64 64 THR C C 64 173.058 173.058 175.201 -2.143 18216
355 1 . 1 1 64 64 THR CA C 64 64.120 64.120 61.896 2.224 18216
356 1 . 1 1 64 64 THR CB C 64 69.241 69.241 68.921 0.320 18216
357 1 . 1 1 64 64 THR H H 64 7.534 7.534 7.910 -0.376 18216
358 1 . 1 1 65 65 LYS N N 65 118.248 118.248 120.392 -2.144 18216
359 1 . 1 1 65 65 LYS HA H 65 4.233 4.233 4.473 -0.241 18216
360 1 . 1 1 65 65 LYS C C 65 174.655 174.655 175.117 -0.462 18216
361 1 . 1 1 65 65 LYS CA C 65 56.591 56.591 56.028 0.563 18216
362 1 . 1 1 65 65 LYS CB C 65 33.090 33.090 33.342 -0.252 18216
363 1 . 1 1 65 65 LYS H H 65 7.201 7.201 7.760 -0.559 18216
364 1 . 1 1 66 66 ILE N N 66 121.918 121.918 112.091 9.827 18216
365 1 . 1 1 66 66 ILE HA H 66 3.872 3.872 4.551 -0.679 18216
366 1 . 1 1 66 66 ILE C C 66 172.490 172.490 174.989 -2.499 18216
367 1 . 1 1 66 66 ILE CA C 66 62.250 62.250 59.561 2.689 18216
368 1 . 1 1 66 66 ILE CB C 66 37.132 37.132 37.962 -0.830 18216
369 1 . 1 1 66 66 ILE H H 66 7.323 7.323 7.238 0.085 18216
370 1 . 1 1 67 67 LYS N N 67 126.438 126.438 121.089 5.349 18216
371 1 . 1 1 67 67 LYS HA H 67 4.787 4.787 4.251 0.536 18216
372 1 . 1 1 67 67 LYS C C 67 176.156 176.156 176.712 -0.556 18216
373 1 . 1 1 67 67 LYS CA C 67 56.078 56.078 58.602 -2.524 18216
374 1 . 1 1 67 67 LYS CB C 67 35.435 35.435 32.752 2.683 18216
375 1 . 1 1 67 67 LYS H H 67 9.625 9.625 8.173 1.452 18216
376 1 . 1 1 68 68 THR N N 68 111.201 111.201 111.583 -0.382 18216
377 1 . 1 1 68 68 THR HA H 68 5.041 5.041 4.382 0.659 18216
378 1 . 1 1 68 68 THR C C 68 173.425 173.425 175.612 -2.187 18216
379 1 . 1 1 68 68 THR CA C 68 58.436 58.436 61.239 -2.803 18216
380 1 . 1 1 68 68 THR CB C 68 73.683 73.683 70.056 3.627 18216
381 1 . 1 1 68 68 THR H H 68 8.308 8.308 7.607 0.701 18216
382 1 . 1 1 69 69 VAL N N 69 120.740 120.740 122.590 -1.850 18216
383 1 . 1 1 69 69 VAL HA H 69 3.456 3.456 3.762 -0.306 18216
384 1 . 1 1 69 69 VAL C C 69 176.481 176.481 177.584 -1.103 18216
385 1 . 1 1 69 69 VAL CA C 69 67.506 67.506 66.273 1.233 18216
386 1 . 1 1 69 69 VAL CB C 69 31.255 31.255 30.948 0.307 18216
387 1 . 1 1 69 69 VAL H H 69 7.685 7.685 8.552 -0.867 18216
388 1 . 1 1 70 70 SER N N 70 114.441 114.441 114.213 0.228 18216
389 1 . 1 1 70 70 SER HA H 70 4.094 4.094 4.279 -0.185 18216
390 1 . 1 1 70 70 SER C C 70 174.461 174.461 176.053 -1.592 18216
391 1 . 1 1 70 70 SER CA C 70 61.222 61.222 61.184 0.037 18216
392 1 . 1 1 70 70 SER CB C 70 62.761 62.761 63.087 -0.326 18216
393 1 . 1 1 70 70 SER H H 70 8.866 8.866 8.342 0.524 18216
394 1 . 1 1 71 71 ASP N N 71 121.065 121.065 122.813 -1.748 18216
395 1 . 1 1 71 71 ASP HA H 71 4.434 4.434 4.644 -0.210 18216
396 1 . 1 1 71 71 ASP C C 71 177.272 177.272 178.312 -1.040 18216
397 1 . 1 1 71 71 ASP CA C 71 57.801 57.801 56.774 1.027 18216
398 1 . 1 1 71 71 ASP CB C 71 41.976 41.976 40.713 1.262 18216
399 1 . 1 1 71 71 ASP H H 71 8.094 8.094 7.791 0.303 18216
400 1 . 1 1 72 72 VAL N N 72 120.351 120.351 120.973 -0.622 18216
401 1 . 1 1 72 72 VAL HA H 72 3.706 3.706 3.686 0.020 18216
402 1 . 1 1 72 72 VAL C C 72 174.409 174.409 177.236 -2.827 18216
403 1 . 1 1 72 72 VAL CA C 72 66.232 66.232 66.604 -0.372 18216
404 1 . 1 1 72 72 VAL CB C 72 31.733 31.733 31.707 0.026 18216
405 1 . 1 1 72 72 VAL H H 72 7.714 7.714 8.438 -0.723 18216
406 1 . 1 1 73 73 ILE N N 73 120.114 120.114 117.373 2.741 18216
407 1 . 1 1 73 73 ILE HA H 73 3.365 3.365 3.842 -0.477 18216
408 1 . 1 1 73 73 ILE C C 73 175.111 175.111 178.274 -3.163 18216
409 1 . 1 1 73 73 ILE CA C 73 66.114 66.114 63.006 3.108 18216
410 1 . 1 1 73 73 ILE CB C 73 38.264 38.264 36.387 1.877 18216
411 1 . 1 1 73 73 ILE H H 73 7.710 7.710 7.550 0.160 18216
412 1 . 1 1 74 74 LYS N N 74 118.158 118.158 121.134 -2.976 18216
413 1 . 1 1 74 74 LYS HA H 74 3.863 3.863 4.043 -0.180 18216
414 1 . 1 1 74 74 LYS C C 74 175.814 175.814 178.615 -2.801 18216
415 1 . 1 1 74 74 LYS CA C 74 59.868 59.868 59.209 0.659 18216
416 1 . 1 1 74 74 LYS CB C 74 32.727 32.727 32.506 0.221 18216
417 1 . 1 1 74 74 LYS H H 74 8.422 8.422 7.552 0.870 18216
418 1 . 1 1 75 75 TYR N N 75 119.834 119.834 120.420 -0.586 18216
419 1 . 1 1 75 75 TYR HA H 75 3.959 3.959 4.309 -0.350 18216
420 1 . 1 1 75 75 TYR C C 75 176.122 176.122 177.894 -1.772 18216
421 1 . 1 1 75 75 TYR CA C 75 62.025 62.025 61.444 0.581 18216
422 1 . 1 1 75 75 TYR CB C 75 38.891 38.891 39.329 -0.438 18216
423 1 . 1 1 75 75 TYR H H 75 7.701 7.701 8.125 -0.424 18216
424 1 . 1 1 76 76 ILE N N 76 117.609 117.609 118.698 -1.089 18216
425 1 . 1 1 76 76 ILE HA H 76 3.255 3.255 3.426 -0.171 18216
426 1 . 1 1 76 76 ILE C C 76 176.730 176.730 177.526 -0.796 18216
427 1 . 1 1 76 76 ILE CA C 76 65.383 65.383 65.219 0.164 18216
428 1 . 1 1 76 76 ILE CB C 76 38.797 38.797 37.264 1.533 18216
429 1 . 1 1 76 76 ILE H H 76 8.032 8.032 8.444 -0.412 18216
430 1 . 1 1 77 77 LYS N N 77 117.750 117.750 120.314 -2.563 18216
431 1 . 1 1 77 77 LYS HA H 77 3.804 3.804 3.875 -0.071 18216
432 1 . 1 1 77 77 LYS C C 77 177.793 177.793 178.587 -0.794 18216
433 1 . 1 1 77 77 LYS CA C 77 60.288 60.288 59.635 0.653 18216
434 1 . 1 1 77 77 LYS CB C 77 32.504 32.504 31.900 0.604 18216
435 1 . 1 1 77 77 LYS H H 77 8.353 8.353 7.678 0.675 18216
436 1 . 1 1 78 78 GLU N N 78 117.517 117.517 117.344 0.173 18216
437 1 . 1 1 78 78 GLU HA H 78 4.048 4.048 4.057 -0.009 18216
438 1 . 1 1 78 78 GLU C C 78 175.974 175.974 178.070 -2.096 18216
439 1 . 1 1 78 78 GLU CA C 78 58.352 58.352 58.143 0.209 18216
440 1 . 1 1 78 78 GLU CB C 78 29.598 29.598 29.266 0.332 18216
441 1 . 1 1 78 78 GLU H H 78 8.057 8.057 7.857 0.200 18216
442 1 . 1 1 79 79 ARG N N 79 117.613 117.613 118.233 -0.620 18216
443 1 . 1 1 79 79 ARG HA H 79 4.271 4.271 4.027 0.244 18216
444 1 . 1 1 79 79 ARG C C 79 174.583 174.583 177.053 -2.470 18216
445 1 . 1 1 79 79 ARG CA C 79 55.965 55.965 56.788 -0.823 18216
446 1 . 1 1 79 79 ARG CB C 79 30.171 30.171 30.450 -0.279 18216
447 1 . 1 1 79 79 ARG H H 79 7.544 7.544 7.444 0.100 18216
448 1 . 1 1 80 80 GLN N N 80 119.495 119.495 118.688 0.807 18216
449 1 . 1 1 80 80 GLN HA H 80 4.400 4.400 4.258 0.142 18216
450 1 . 1 1 80 80 GLN C C 80 173.178 173.178 175.155 -1.977 18216
451 1 . 1 1 80 80 GLN CA C 80 56.114 56.114 56.055 0.059 18216
452 1 . 1 1 80 80 GLN CB C 80 29.391 29.391 29.012 0.379 18216
453 1 . 1 1 80 80 GLN H H 80 7.675 7.675 7.816 -0.141 18216
stop_
save_