data_18171
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18171
_Entry.PDB_ID 2LNM
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 18171
_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 2 2 GLU N N 2 115.081 115.081 121.172 -6.091 18171
2 1 1 . 1 1 2 2 GLU HA H 2 3.860 3.860 3.999 -0.139 18171
3 1 1 . 1 1 2 2 GLU C C 2 179.259 179.259 178.287 0.972 18171
4 1 1 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.203 1.157 18171
5 1 1 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.354 -0.628 18171
6 1 1 . 1 1 2 2 GLU H H 2 8.756 8.756 8.936 -0.180 18171
7 1 1 . 1 1 3 3 GLU N N 3 120.051 120.051 120.044 0.007 18171
8 1 1 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.020 -0.004 18171
9 1 1 . 1 1 3 3 GLU C C 3 178.863 178.863 178.937 -0.074 18171
10 1 1 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.455 -0.449 18171
11 1 1 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.422 0.943 18171
12 1 1 . 1 1 3 3 GLU H H 3 7.722 7.722 8.315 -0.593 18171
13 1 1 . 1 1 4 4 VAL N N 4 120.223 120.223 119.132 1.091 18171
14 1 1 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.627 -0.118 18171
15 1 1 . 1 1 4 4 VAL C C 4 177.687 177.687 177.647 0.040 18171
16 1 1 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.259 1.408 18171
17 1 1 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.771 -0.230 18171
18 1 1 . 1 1 4 4 VAL H H 4 7.815 7.815 7.534 0.281 18171
19 1 1 . 1 1 5 5 ILE N N 5 118.475 118.475 119.147 -0.672 18171
20 1 1 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.537 -0.037 18171
21 1 1 . 1 1 5 5 ILE C C 5 177.638 177.638 177.822 -0.184 18171
22 1 1 . 1 1 5 5 ILE CA C 5 64.361 64.361 65.111 -0.749 18171
23 1 1 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.444 -0.307 18171
24 1 1 . 1 1 5 5 ILE H H 5 8.293 8.293 7.973 0.320 18171
25 1 1 . 1 1 6 6 SER N N 6 113.327 113.327 114.729 -1.402 18171
26 1 1 . 1 1 6 6 SER HA H 6 4.034 4.034 4.182 -0.148 18171
27 1 1 . 1 1 6 6 SER C C 6 176.398 176.398 176.034 0.364 18171
28 1 1 . 1 1 6 6 SER CA C 6 61.781 61.781 61.179 0.602 18171
29 1 1 . 1 1 6 6 SER CB C 6 62.770 62.770 63.010 -0.240 18171
30 1 1 . 1 1 6 6 SER H H 6 7.740 7.740 7.811 -0.072 18171
31 1 1 . 1 1 7 7 LYS N N 7 119.755 119.755 121.870 -2.115 18171
32 1 1 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.101 0.042 18171
33 1 1 . 1 1 7 7 LYS C C 7 179.622 179.622 178.515 1.107 18171
34 1 1 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.588 -0.582 18171
35 1 1 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.581 0.161 18171
36 1 1 . 1 1 7 7 LYS H H 7 7.523 7.523 7.689 -0.166 18171
37 1 1 . 1 1 8 8 ILE N N 8 119.544 119.544 120.344 -0.800 18171
38 1 1 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.660 -0.017 18171
39 1 1 . 1 1 8 8 ILE C C 8 177.510 177.510 176.893 0.617 18171
40 1 1 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.181 1.999 18171
41 1 1 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.382 1.079 18171
42 1 1 . 1 1 8 8 ILE H H 8 8.132 8.132 7.537 0.595 18171
43 1 1 . 1 1 9 9 MET N N 9 114.616 114.616 117.518 -2.902 18171
44 1 1 . 1 1 9 9 MET HA H 9 4.104 4.104 4.164 -0.060 18171
45 1 1 . 1 1 9 9 MET C C 9 177.018 177.018 177.570 -0.552 18171
46 1 1 . 1 1 9 9 MET CA C 9 56.601 56.601 56.894 -0.293 18171
47 1 1 . 1 1 9 9 MET CB C 9 31.479 31.479 30.833 0.646 18171
48 1 1 . 1 1 9 9 MET H H 9 7.835 7.835 7.663 0.172 18171
49 1 1 . 1 1 10 10 GLU N N 10 116.206 116.206 119.866 -3.660 18171
50 1 1 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.125 0.027 18171
51 1 1 . 1 1 10 10 GLU C C 10 176.263 176.263 177.024 -0.761 18171
52 1 1 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.826 -0.743 18171
53 1 1 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.907 0.103 18171
54 1 1 . 1 1 10 10 GLU H H 10 7.318 7.318 8.026 -0.708 18171
55 1 1 . 1 1 11 11 ASN N N 11 119.007 119.007 119.245 -0.238 18171
56 1 1 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.170 -0.029 18171
57 1 1 . 1 1 11 11 ASN C C 11 173.093 173.093 173.440 -0.347 18171
58 1 1 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.187 0.522 18171
59 1 1 . 1 1 11 11 ASN CB C 11 40.100 40.100 38.800 1.300 18171
60 1 1 . 1 1 11 11 ASN H H 11 7.707 7.707 7.783 -0.076 18171
61 1 1 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.096 0.187 18171
62 1 1 . 1 1 12 12 PRO C C 12 177.932 177.932 177.624 0.308 18171
63 1 1 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.365 -0.137 18171
64 1 1 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.944 0.064 18171
65 1 1 . 1 1 13 13 ASP N N 13 116.410 116.410 116.765 -0.355 18171
66 1 1 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.456 -0.031 18171
67 1 1 . 1 1 13 13 ASP C C 13 178.456 178.456 178.314 0.142 18171
68 1 1 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.019 -0.210 18171
69 1 1 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.653 -0.714 18171
70 1 1 . 1 1 13 13 ASP H H 13 8.218 8.218 8.439 -0.221 18171
71 1 1 . 1 1 14 14 VAL N N 14 120.053 120.053 120.250 -0.197 18171
72 1 1 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.691 0.091 18171
73 1 1 . 1 1 14 14 VAL C C 14 177.045 177.045 177.784 -0.739 18171
74 1 1 . 1 1 14 14 VAL CA C 14 64.350 64.350 66.096 -1.746 18171
75 1 1 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.633 0.128 18171
76 1 1 . 1 1 14 14 VAL H H 14 7.722 7.722 8.175 -0.453 18171
77 1 1 . 1 1 15 15 ALA N N 15 121.814 121.814 122.288 -0.474 18171
78 1 1 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.770 0.152 18171
79 1 1 . 1 1 15 15 ALA C C 15 180.315 180.315 179.044 1.271 18171
80 1 1 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.129 0.525 18171
81 1 1 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.179 -0.002 18171
82 1 1 . 1 1 15 15 ALA H H 15 8.245 8.245 7.630 0.615 18171
83 1 1 . 1 1 16 16 MET N N 16 114.438 114.438 117.712 -3.274 18171
84 1 1 . 1 1 16 16 MET HA H 16 4.234 4.234 4.531 -0.297 18171
85 1 1 . 1 1 16 16 MET C C 16 178.930 178.930 178.819 0.111 18171
86 1 1 . 1 1 16 16 MET CA C 16 58.011 58.011 58.454 -0.443 18171
87 1 1 . 1 1 16 16 MET CB C 16 32.027 32.027 33.098 -1.071 18171
88 1 1 . 1 1 16 16 MET H H 16 7.878 7.878 7.709 0.169 18171
89 1 1 . 1 1 17 17 ALA N N 17 123.280 123.280 123.649 -0.369 18171
90 1 1 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.173 0.005 18171
91 1 1 . 1 1 17 17 ALA C C 17 179.091 179.091 179.509 -0.418 18171
92 1 1 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.950 -0.387 18171
93 1 1 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.152 0.239 18171
94 1 1 . 1 1 17 17 ALA H H 17 7.647 7.647 8.102 -0.455 18171
95 1 1 . 1 1 18 18 PHE N N 18 114.808 114.808 116.318 -1.510 18171
96 1 1 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.270 -0.152 18171
97 1 1 . 1 1 18 18 PHE C C 18 175.169 175.169 176.606 -1.437 18171
98 1 1 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.413 -0.979 18171
99 1 1 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.737 0.306 18171
100 1 1 . 1 1 18 18 PHE H H 18 8.032 8.032 8.638 -0.606 18171
101 1 1 . 1 1 19 19 GLN N N 19 114.221 114.221 116.974 -2.753 18171
102 1 1 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.342 -0.275 18171
103 1 1 . 1 1 19 19 GLN C C 19 175.843 175.843 175.518 0.325 18171
104 1 1 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.658 0.488 18171
105 1 1 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.678 -0.058 18171
106 1 1 . 1 1 19 19 GLN H H 19 7.414 7.414 7.606 -0.192 18171
107 1 1 . 1 1 20 20 ASN N N 20 119.994 119.994 119.218 0.776 18171
108 1 1 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.199 -0.316 18171
109 1 1 . 1 1 20 20 ASN C C 20 174.726 174.726 173.947 0.779 18171
110 1 1 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.300 0.301 18171
111 1 1 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.558 -1.301 18171
112 1 1 . 1 1 20 20 ASN H H 20 7.497 7.497 7.935 -0.438 18171
113 1 1 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.368 -0.179 18171
114 1 1 . 1 1 21 21 PRO C C 21 178.747 178.747 178.189 0.558 18171
115 1 1 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.755 -0.709 18171
116 1 1 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.093 0.028 18171
117 1 1 . 1 1 22 22 ARG N N 22 117.899 117.899 118.111 -0.212 18171
118 1 1 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.099 -0.006 18171
119 1 1 . 1 1 22 22 ARG C C 22 178.827 178.827 178.521 0.306 18171
120 1 1 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.551 0.435 18171
121 1 1 . 1 1 22 22 ARG CB C 22 30.431 30.431 28.820 1.611 18171
122 1 1 . 1 1 22 22 ARG H H 22 8.066 8.066 8.716 -0.650 18171
123 1 1 . 1 1 23 23 VAL N N 23 119.694 119.694 120.448 -0.754 18171
124 1 1 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.529 -0.145 18171
125 1 1 . 1 1 23 23 VAL C C 23 177.319 177.319 177.832 -0.513 18171
126 1 1 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.438 -0.690 18171
127 1 1 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.482 0.039 18171
128 1 1 . 1 1 23 23 VAL H H 23 7.199 7.199 7.740 -0.541 18171
129 1 1 . 1 1 24 24 GLN N N 24 117.842 117.842 119.120 -1.278 18171
130 1 1 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.797 -0.164 18171
131 1 1 . 1 1 24 24 GLN C C 24 177.902 177.902 178.419 -0.517 18171
132 1 1 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.149 0.520 18171
133 1 1 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.463 -0.443 18171
134 1 1 . 1 1 24 24 GLN H H 24 7.790 7.790 8.040 -0.250 18171
135 1 1 . 1 1 25 25 ALA N N 25 119.267 119.267 121.381 -2.114 18171
136 1 1 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.023 0.023 18171
137 1 1 . 1 1 25 25 ALA C C 25 179.854 179.854 178.919 0.935 18171
138 1 1 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.793 0.253 18171
139 1 1 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.280 -0.456 18171
140 1 1 . 1 1 25 25 ALA H H 25 7.808 7.808 8.412 -0.604 18171
141 1 1 . 1 1 26 26 ALA N N 26 120.738 120.738 121.938 -1.200 18171
142 1 1 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.367 0.554 18171
143 1 1 . 1 1 26 26 ALA C C 26 179.988 179.988 179.707 0.281 18171
144 1 1 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.376 0.823 18171
145 1 1 . 1 1 26 26 ALA CB C 26 18.171 18.171 17.623 0.548 18171
146 1 1 . 1 1 26 26 ALA H H 26 7.500 7.500 7.425 0.075 18171
147 1 1 . 1 1 27 27 LEU N N 27 118.511 118.511 118.964 -0.453 18171
148 1 1 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.083 -0.170 18171
149 1 1 . 1 1 27 27 LEU C C 27 179.923 179.923 179.293 0.630 18171
150 1 1 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.753 0.306 18171
151 1 1 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.855 -0.927 18171
152 1 1 . 1 1 27 27 LEU H H 27 8.324 8.324 8.459 -0.135 18171
153 1 1 . 1 1 28 28 MET N N 28 118.681 118.681 117.112 1.569 18171
154 1 1 . 1 1 28 28 MET HA H 28 4.144 4.144 4.109 0.035 18171
155 1 1 . 1 1 28 28 MET C C 28 179.635 179.635 179.308 0.327 18171
156 1 1 . 1 1 28 28 MET CA C 28 58.734 58.734 57.709 1.025 18171
157 1 1 . 1 1 28 28 MET CB C 28 31.901 31.901 31.714 0.187 18171
158 1 1 . 1 1 28 28 MET H H 28 8.127 8.127 8.327 -0.200 18171
159 1 1 . 1 1 29 29 GLU N N 29 119.813 119.813 120.593 -0.780 18171
160 1 1 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.231 -0.005 18171
161 1 1 . 1 1 29 29 GLU C C 29 180.544 180.544 179.003 1.541 18171
162 1 1 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.935 0.761 18171
163 1 1 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.280 0.397 18171
164 1 1 . 1 1 29 29 GLU H H 29 8.302 8.302 8.339 -0.037 18171
165 1 1 . 1 1 30 30 CYS N N 30 118.465 118.465 117.954 0.511 18171
166 1 1 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.199 0.254 18171
167 1 1 . 1 1 30 30 CYS C C 30 175.357 175.357 175.590 -0.233 18171
168 1 1 . 1 1 30 30 CYS CA C 30 62.482 62.482 61.951 0.531 18171
169 1 1 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.440 -0.650 18171
170 1 1 . 1 1 30 30 CYS H H 30 8.465 8.465 8.156 0.309 18171
171 1 1 . 1 1 31 31 SER N N 31 114.366 114.366 115.090 -0.724 18171
172 1 1 . 1 1 31 31 SER HA H 31 4.174 4.174 4.151 0.023 18171
173 1 1 . 1 1 31 31 SER C C 31 175.371 175.371 176.450 -1.079 18171
174 1 1 . 1 1 31 31 SER CA C 31 60.932 60.932 61.056 -0.124 18171
175 1 1 . 1 1 31 31 SER CB C 31 62.749 62.749 62.866 -0.117 18171
176 1 1 . 1 1 31 31 SER H H 31 7.859 7.859 7.549 0.310 18171
177 1 1 . 1 1 32 32 GLU N N 32 119.996 119.996 121.613 -1.617 18171
178 1 1 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.192 0.012 18171
179 1 1 . 1 1 32 32 GLU C C 32 176.983 176.983 176.687 0.296 18171
180 1 1 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.493 -0.521 18171
181 1 1 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.277 -0.200 18171
182 1 1 . 1 1 32 32 GLU H H 32 7.254 7.254 8.440 -1.186 18171
183 1 1 . 1 1 33 33 ASN N N 33 113.026 113.026 111.358 1.668 18171
184 1 1 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.894 0.079 18171
185 1 1 . 1 1 33 33 ASN C C 33 173.504 173.504 173.054 0.450 18171
186 1 1 . 1 1 33 33 ASN CA C 33 50.736 50.736 51.950 -1.214 18171
187 1 1 . 1 1 33 33 ASN CB C 33 39.485 39.485 36.801 2.684 18171
188 1 1 . 1 1 33 33 ASN H H 33 7.370 7.370 7.688 -0.318 18171
189 1 1 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.300 0.274 18171
190 1 1 . 1 1 34 34 PRO C C 34 178.270 178.270 177.206 1.064 18171
191 1 1 . 1 1 34 34 PRO CA C 34 64.827 64.827 65.064 -0.237 18171
192 1 1 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.761 -0.007 18171
193 1 1 . 1 1 35 35 MET N N 35 115.258 115.258 114.977 0.281 18171
194 1 1 . 1 1 35 35 MET HA H 35 4.330 4.330 4.425 -0.095 18171
195 1 1 . 1 1 35 35 MET C C 35 178.569 178.569 177.771 0.798 18171
196 1 1 . 1 1 35 35 MET CA C 35 57.050 57.050 56.479 0.571 18171
197 1 1 . 1 1 35 35 MET CB C 35 31.300 31.300 31.032 0.268 18171
198 1 1 . 1 1 35 35 MET H H 35 7.962 7.962 8.001 -0.039 18171
199 1 1 . 1 1 36 36 ASN N N 36 117.357 117.357 119.956 -2.599 18171
200 1 1 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.528 0.045 18171
201 1 1 . 1 1 36 36 ASN C C 36 176.470 176.470 177.453 -0.983 18171
202 1 1 . 1 1 36 36 ASN CA C 36 55.126 55.126 56.216 -1.090 18171
203 1 1 . 1 1 36 36 ASN CB C 36 38.442 38.442 38.361 0.081 18171
204 1 1 . 1 1 36 36 ASN H H 36 8.462 8.462 8.813 -0.351 18171
205 1 1 . 1 1 37 37 ILE N N 37 121.622 121.622 122.412 -0.790 18171
206 1 1 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.809 0.301 18171
207 1 1 . 1 1 37 37 ILE C C 37 177.331 177.331 176.562 0.769 18171
208 1 1 . 1 1 37 37 ILE CA C 37 62.588 62.588 63.278 -0.690 18171
209 1 1 . 1 1 37 37 ILE CB C 37 38.015 38.015 38.071 -0.056 18171
210 1 1 . 1 1 37 37 ILE H H 37 7.820 7.820 7.543 0.277 18171
211 1 1 . 1 1 38 38 MET N N 38 118.071 118.071 117.169 0.902 18171
212 1 1 . 1 1 38 38 MET HA H 38 4.174 4.174 4.121 0.053 18171
213 1 1 . 1 1 38 38 MET C C 38 178.456 178.456 177.175 1.281 18171
214 1 1 . 1 1 38 38 MET CA C 38 57.563 57.563 57.914 -0.351 18171
215 1 1 . 1 1 38 38 MET CB C 38 31.533 31.533 32.207 -0.674 18171
216 1 1 . 1 1 38 38 MET H H 38 7.479 7.479 7.601 -0.122 18171
217 1 1 . 1 1 39 39 LYS N N 39 117.427 117.427 118.600 -1.173 18171
218 1 1 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.169 -0.222 18171
219 1 1 . 1 1 39 39 LYS C C 39 177.456 177.456 178.459 -1.003 18171
220 1 1 . 1 1 39 39 LYS CA C 39 58.012 58.012 58.105 -0.093 18171
221 1 1 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.260 -1.487 18171
222 1 1 . 1 1 39 39 LYS H H 39 7.580 7.580 8.093 -0.513 18171
223 1 1 . 1 1 40 40 TYR N N 40 116.049 116.049 118.970 -2.921 18171
224 1 1 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.282 0.248 18171
225 1 1 . 1 1 40 40 TYR C C 40 175.635 175.635 177.930 -2.295 18171
226 1 1 . 1 1 40 40 TYR CA C 40 58.398 58.398 59.331 -0.933 18171
227 1 1 . 1 1 40 40 TYR CB C 40 39.490 39.490 37.003 2.487 18171
228 1 1 . 1 1 40 40 TYR H H 40 7.651 7.651 7.554 0.097 18171
229 1 1 . 1 1 41 41 GLN N N 41 116.626 116.626 119.758 -3.132 18171
230 1 1 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.980 0.353 18171
231 1 1 . 1 1 41 41 GLN C C 41 175.887 175.887 176.869 -0.982 18171
232 1 1 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.395 0.191 18171
233 1 1 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.592 1.455 18171
234 1 1 . 1 1 41 41 GLN H H 41 7.001 7.001 7.777 -0.776 18171
235 1 1 . 1 1 42 42 ASN N N 42 114.491 114.491 115.695 -1.204 18171
236 1 1 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.719 0.143 18171
237 1 1 . 1 1 42 42 ASN C C 42 173.784 173.784 175.293 -1.509 18171
238 1 1 . 1 1 42 42 ASN CA C 42 52.532 52.532 54.534 -2.002 18171
239 1 1 . 1 1 42 42 ASN CB C 42 38.588 38.588 38.990 -0.402 18171
240 1 1 . 1 1 42 42 ASN H H 42 8.281 8.281 7.653 0.628 18171
241 1 1 . 1 1 43 43 ASP N N 43 122.981 122.981 122.166 0.815 18171
242 1 1 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.720 0.035 18171
243 1 1 . 1 1 43 43 ASP C C 43 174.773 174.773 176.118 -1.345 18171
244 1 1 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.367 -0.760 18171
245 1 1 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.723 0.646 18171
246 1 1 . 1 1 43 43 ASP H H 43 7.960 7.960 8.019 -0.059 18171
247 1 1 . 1 1 44 44 LYS N N 44 125.893 125.893 126.527 -0.634 18171
248 1 1 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.866 -0.006 18171
249 1 1 . 1 1 44 44 LYS C C 44 177.796 177.796 178.080 -0.284 18171
250 1 1 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.302 0.494 18171
251 1 1 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.554 -0.018 18171
252 1 1 . 1 1 44 44 LYS H H 44 8.361 8.361 8.092 0.269 18171
253 1 1 . 1 1 45 45 GLU N N 45 116.698 116.698 118.471 -1.773 18171
254 1 1 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.138 -0.071 18171
255 1 1 . 1 1 45 45 GLU C C 45 178.724 178.724 178.915 -0.191 18171
256 1 1 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.474 -0.019 18171
257 1 1 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.435 0.322 18171
258 1 1 . 1 1 45 45 GLU H H 45 8.127 8.127 7.815 0.312 18171
259 1 1 . 1 1 46 46 VAL N N 46 117.476 117.476 120.094 -2.618 18171
260 1 1 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.682 -0.268 18171
261 1 1 . 1 1 46 46 VAL C C 46 177.879 177.879 178.400 -0.521 18171
262 1 1 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.027 0.403 18171
263 1 1 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.287 0.741 18171
264 1 1 . 1 1 46 46 VAL H H 46 7.452 7.452 7.732 -0.280 18171
265 1 1 . 1 1 47 47 MET N N 47 117.027 117.027 119.816 -2.789 18171
266 1 1 . 1 1 47 47 MET HA H 47 4.479 4.479 4.164 0.315 18171
267 1 1 . 1 1 47 47 MET C C 47 179.307 179.307 178.376 0.931 18171
268 1 1 . 1 1 47 47 MET CA C 47 56.809 56.809 57.986 -1.177 18171
269 1 1 . 1 1 47 47 MET CB C 47 30.371 30.371 31.030 -0.659 18171
270 1 1 . 1 1 47 47 MET H H 47 8.542 8.542 7.944 0.598 18171
271 1 1 . 1 1 48 48 ASP N N 48 119.811 119.811 119.706 0.105 18171
272 1 1 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.420 0.072 18171
273 1 1 . 1 1 48 48 ASP C C 48 179.136 179.136 179.373 -0.237 18171
274 1 1 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.464 0.107 18171
275 1 1 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.777 -0.324 18171
276 1 1 . 1 1 48 48 ASP H H 48 8.580 8.580 7.893 0.687 18171
277 1 1 . 1 1 49 49 VAL N N 49 118.816 118.816 119.558 -0.742 18171
278 1 1 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.782 -0.144 18171
279 1 1 . 1 1 49 49 VAL C C 49 177.777 177.777 177.978 -0.201 18171
280 1 1 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.185 0.272 18171
281 1 1 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.622 -0.556 18171
282 1 1 . 1 1 49 49 VAL H H 49 7.319 7.319 7.532 -0.212 18171
283 1 1 . 1 1 50 50 PHE N N 50 120.305 120.305 119.999 0.306 18171
284 1 1 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.217 -0.081 18171
285 1 1 . 1 1 50 50 PHE C C 50 178.505 178.505 178.231 0.274 18171
286 1 1 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.119 -0.579 18171
287 1 1 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.425 -0.117 18171
288 1 1 . 1 1 50 50 PHE H H 50 8.529 8.529 9.296 -0.767 18171
289 1 1 . 1 1 51 51 ASN N N 51 117.888 117.888 117.063 0.825 18171
290 1 1 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.526 -0.111 18171
291 1 1 . 1 1 51 51 ASN C C 51 177.863 177.863 177.137 0.726 18171
292 1 1 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.625 0.543 18171
293 1 1 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.231 0.078 18171
294 1 1 . 1 1 51 51 ASN H H 51 8.886 8.886 8.830 0.056 18171
295 1 1 . 1 1 52 52 LYS N N 52 120.120 120.120 121.959 -1.839 18171
296 1 1 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.071 0.039 18171
297 1 1 . 1 1 52 52 LYS C C 52 179.002 179.002 178.310 0.692 18171
298 1 1 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.063 -0.089 18171
299 1 1 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.376 -0.321 18171
300 1 1 . 1 1 52 52 LYS H H 52 7.760 7.760 7.139 0.621 18171
301 1 1 . 1 1 53 53 ILE N N 53 117.988 117.988 120.210 -2.222 18171
302 1 1 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.481 0.276 18171
303 1 1 . 1 1 53 53 ILE C C 53 177.686 177.686 177.567 0.119 18171
304 1 1 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.921 0.120 18171
305 1 1 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.736 -0.069 18171
306 1 1 . 1 1 53 53 ILE H H 53 8.400 8.400 8.617 -0.217 18171
307 1 1 . 1 1 54 54 SER N N 54 114.267 114.267 113.974 0.293 18171
308 1 1 . 1 1 54 54 SER HA H 54 4.050 4.050 4.329 -0.279 18171
309 1 1 . 1 1 54 54 SER C C 54 175.690 175.690 176.244 -0.554 18171
310 1 1 . 1 1 54 54 SER CA C 54 61.417 61.417 61.137 0.280 18171
311 1 1 . 1 1 54 54 SER CB C 54 62.922 62.922 62.992 -0.070 18171
312 1 1 . 1 1 54 54 SER H H 54 8.042 8.042 7.616 0.426 18171
313 1 1 . 1 1 55 55 GLN N N 55 118.045 118.045 119.999 -1.954 18171
314 1 1 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.062 0.078 18171
315 1 1 . 1 1 55 55 GLN C C 55 177.193 177.193 177.869 -0.676 18171
316 1 1 . 1 1 55 55 GLN CA C 55 57.082 57.082 58.062 -0.980 18171
317 1 1 . 1 1 55 55 GLN CB C 55 28.720 28.720 28.921 -0.201 18171
318 1 1 . 1 1 55 55 GLN H H 55 7.415 7.415 7.541 -0.126 18171
319 1 1 . 1 1 56 56 LEU N N 56 118.492 118.492 117.286 1.206 18171
320 1 1 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.110 -0.077 18171
321 1 1 . 1 1 56 56 LEU C C 56 176.578 176.578 176.688 -0.110 18171
322 1 1 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.150 -0.245 18171
323 1 1 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.602 -0.053 18171
324 1 1 . 1 1 56 56 LEU H H 56 7.732 7.732 7.753 -0.021 18171
325 1 1 . 1 1 57 57 PHE N N 57 116.774 116.774 115.936 0.838 18171
326 1 1 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.915 -0.023 18171
327 1 1 . 1 1 57 57 PHE C C 57 173.125 173.125 173.832 -0.707 18171
328 1 1 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.798 1.413 18171
329 1 1 . 1 1 57 57 PHE CB C 57 39.023 39.023 37.522 1.501 18171
330 1 1 . 1 1 57 57 PHE H H 57 7.629 7.629 7.294 0.335 18171
331 1 1 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.366 0.114 18171
332 1 1 . 1 1 58 58 PRO C C 58 178.090 178.090 178.532 -0.442 18171
333 1 1 . 1 1 58 58 PRO CA C 58 63.972 63.972 64.500 -0.528 18171
334 1 1 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.891 -0.964 18171
335 1 1 . 1 1 59 59 GLY N N 59 108.335 108.335 105.416 2.919 18171
336 1 1 . 1 1 59 59 GLY C C 59 174.930 174.930 174.267 0.663 18171
337 1 1 . 1 1 59 59 GLY CA C 59 45.384 45.384 44.231 1.153 18171
338 1 1 . 1 1 59 59 GLY H H 59 8.411 8.411 8.388 0.023 18171
339 1 1 . 1 1 60 60 MET N N 60 119.206 119.206 118.689 0.517 18171
340 1 1 . 1 1 60 60 MET HA H 60 4.467 4.467 4.203 0.264 18171
341 1 1 . 1 1 60 60 MET C C 60 176.320 176.320 176.752 -0.432 18171
342 1 1 . 1 1 60 60 MET CA C 60 56.395 56.395 55.745 0.650 18171
343 1 1 . 1 1 60 60 MET CB C 60 32.964 32.964 32.129 0.835 18171
344 1 1 . 1 1 60 60 MET H H 60 8.053 8.053 7.287 0.766 18171
345 1 1 . 1 1 61 61 THR N N 61 111.041 111.041 117.852 -6.811 18171
346 1 1 . 1 1 61 61 THR HA H 61 4.402 4.402 4.174 0.228 18171
347 1 1 . 1 1 61 61 THR C C 61 173.976 173.976 175.680 -1.704 18171
348 1 1 . 1 1 61 61 THR CA C 61 61.233 61.233 62.453 -1.220 18171
349 1 1 . 1 1 61 61 THR CB C 61 70.120 70.120 68.930 1.190 18171
350 1 1 . 1 1 61 61 THR H H 61 7.880 7.880 8.215 -0.335 18171
351 1 2 . 1 1 2 2 GLU N N 2 115.081 115.081 121.531 -6.450 18171
352 1 2 . 1 1 2 2 GLU HA H 2 3.860 3.860 3.963 -0.103 18171
353 1 2 . 1 1 2 2 GLU C C 2 179.259 179.259 178.036 1.223 18171
354 1 2 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.166 1.194 18171
355 1 2 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.273 -0.547 18171
356 1 2 . 1 1 2 2 GLU H H 2 8.756 8.756 8.930 -0.174 18171
357 1 2 . 1 1 3 3 GLU N N 3 120.051 120.051 118.839 1.212 18171
358 1 2 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.021 -0.005 18171
359 1 2 . 1 1 3 3 GLU C C 3 178.863 178.863 178.715 0.148 18171
360 1 2 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.401 -0.395 18171
361 1 2 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.445 0.920 18171
362 1 2 . 1 1 3 3 GLU H H 3 7.722 7.722 8.505 -0.783 18171
363 1 2 . 1 1 4 4 VAL N N 4 120.223 120.223 118.420 1.803 18171
364 1 2 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.688 -0.179 18171
365 1 2 . 1 1 4 4 VAL C C 4 177.687 177.687 178.022 -0.335 18171
366 1 2 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.487 1.180 18171
367 1 2 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.417 0.124 18171
368 1 2 . 1 1 4 4 VAL H H 4 7.815 7.815 7.567 0.248 18171
369 1 2 . 1 1 5 5 ILE N N 5 118.475 118.475 120.720 -2.245 18171
370 1 2 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.565 -0.065 18171
371 1 2 . 1 1 5 5 ILE C C 5 177.638 177.638 178.088 -0.450 18171
372 1 2 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.416 -0.055 18171
373 1 2 . 1 1 5 5 ILE CB C 5 37.136 37.136 36.052 1.084 18171
374 1 2 . 1 1 5 5 ILE H H 5 8.293 8.293 8.199 0.094 18171
375 1 2 . 1 1 6 6 SER N N 6 113.327 113.327 114.693 -1.366 18171
376 1 2 . 1 1 6 6 SER HA H 6 4.034 4.034 4.208 -0.174 18171
377 1 2 . 1 1 6 6 SER C C 6 176.398 176.398 175.246 1.152 18171
378 1 2 . 1 1 6 6 SER CA C 6 61.781 61.781 60.775 1.006 18171
379 1 2 . 1 1 6 6 SER CB C 6 62.770 62.770 62.847 -0.077 18171
380 1 2 . 1 1 6 6 SER H H 6 7.740 7.740 7.750 -0.010 18171
381 1 2 . 1 1 7 7 LYS N N 7 119.755 119.755 120.363 -0.608 18171
382 1 2 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.098 0.045 18171
383 1 2 . 1 1 7 7 LYS C C 7 179.622 179.622 178.675 0.947 18171
384 1 2 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.018 -0.012 18171
385 1 2 . 1 1 7 7 LYS CB C 7 31.742 31.742 32.041 -0.299 18171
386 1 2 . 1 1 7 7 LYS H H 7 7.523 7.523 7.740 -0.217 18171
387 1 2 . 1 1 8 8 ILE N N 8 119.544 119.544 121.404 -1.860 18171
388 1 2 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.716 -0.073 18171
389 1 2 . 1 1 8 8 ILE C C 8 177.510 177.510 177.379 0.131 18171
390 1 2 . 1 1 8 8 ILE CA C 8 65.180 65.180 64.069 1.111 18171
391 1 2 . 1 1 8 8 ILE CB C 8 37.461 37.461 37.842 -0.381 18171
392 1 2 . 1 1 8 8 ILE H H 8 8.132 8.132 7.364 0.768 18171
393 1 2 . 1 1 9 9 MET N N 9 114.616 114.616 118.053 -3.437 18171
394 1 2 . 1 1 9 9 MET HA H 9 4.104 4.104 4.099 0.005 18171
395 1 2 . 1 1 9 9 MET C C 9 177.018 177.018 176.866 0.152 18171
396 1 2 . 1 1 9 9 MET CA C 9 56.601 56.601 57.877 -1.276 18171
397 1 2 . 1 1 9 9 MET CB C 9 31.479 31.479 31.915 -0.436 18171
398 1 2 . 1 1 9 9 MET H H 9 7.835 7.835 7.640 0.195 18171
399 1 2 . 1 1 10 10 GLU N N 10 116.206 116.206 119.493 -3.287 18171
400 1 2 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.109 0.043 18171
401 1 2 . 1 1 10 10 GLU C C 10 176.263 176.263 177.206 -0.943 18171
402 1 2 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.854 -0.771 18171
403 1 2 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.765 0.245 18171
404 1 2 . 1 1 10 10 GLU H H 10 7.318 7.318 7.674 -0.356 18171
405 1 2 . 1 1 11 11 ASN N N 11 119.007 119.007 119.344 -0.337 18171
406 1 2 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.164 -0.023 18171
407 1 2 . 1 1 11 11 ASN C C 11 173.093 173.093 173.441 -0.348 18171
408 1 2 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.021 0.688 18171
409 1 2 . 1 1 11 11 ASN CB C 11 40.100 40.100 38.902 1.198 18171
410 1 2 . 1 1 11 11 ASN H H 11 7.707 7.707 7.729 -0.022 18171
411 1 2 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.089 0.194 18171
412 1 2 . 1 1 12 12 PRO C C 12 177.932 177.932 177.656 0.276 18171
413 1 2 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.183 0.045 18171
414 1 2 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.742 0.266 18171
415 1 2 . 1 1 13 13 ASP N N 13 116.410 116.410 117.088 -0.678 18171
416 1 2 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.500 -0.075 18171
417 1 2 . 1 1 13 13 ASP C C 13 178.456 178.456 178.540 -0.084 18171
418 1 2 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.216 -0.407 18171
419 1 2 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.688 -0.749 18171
420 1 2 . 1 1 13 13 ASP H H 13 8.218 8.218 8.454 -0.236 18171
421 1 2 . 1 1 14 14 VAL N N 14 120.053 120.053 120.938 -0.885 18171
422 1 2 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.850 -0.068 18171
423 1 2 . 1 1 14 14 VAL C C 14 177.045 177.045 177.636 -0.591 18171
424 1 2 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.814 -1.464 18171
425 1 2 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.537 0.224 18171
426 1 2 . 1 1 14 14 VAL H H 14 7.722 7.722 8.107 -0.385 18171
427 1 2 . 1 1 15 15 ALA N N 15 121.814 121.814 122.786 -0.972 18171
428 1 2 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.803 0.119 18171
429 1 2 . 1 1 15 15 ALA C C 15 180.315 180.315 179.361 0.954 18171
430 1 2 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.271 0.383 18171
431 1 2 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.228 -0.051 18171
432 1 2 . 1 1 15 15 ALA H H 15 8.245 8.245 7.624 0.621 18171
433 1 2 . 1 1 16 16 MET N N 16 114.438 114.438 115.840 -1.402 18171
434 1 2 . 1 1 16 16 MET HA H 16 4.234 4.234 4.382 -0.148 18171
435 1 2 . 1 1 16 16 MET C C 16 178.930 178.930 178.933 -0.003 18171
436 1 2 . 1 1 16 16 MET CA C 16 58.011 58.011 56.977 1.034 18171
437 1 2 . 1 1 16 16 MET CB C 16 32.027 32.027 32.269 -0.242 18171
438 1 2 . 1 1 16 16 MET H H 16 7.878 7.878 7.777 0.101 18171
439 1 2 . 1 1 17 17 ALA N N 17 123.280 123.280 123.832 -0.552 18171
440 1 2 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.207 -0.029 18171
441 1 2 . 1 1 17 17 ALA C C 17 179.091 179.091 179.772 -0.681 18171
442 1 2 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.991 -0.428 18171
443 1 2 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.081 0.310 18171
444 1 2 . 1 1 17 17 ALA H H 17 7.647 7.647 8.001 -0.354 18171
445 1 2 . 1 1 18 18 PHE N N 18 114.808 114.808 116.358 -1.550 18171
446 1 2 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.254 -0.136 18171
447 1 2 . 1 1 18 18 PHE C C 18 175.169 175.169 176.323 -1.154 18171
448 1 2 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.616 -1.182 18171
449 1 2 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.731 0.312 18171
450 1 2 . 1 1 18 18 PHE H H 18 8.032 8.032 8.735 -0.703 18171
451 1 2 . 1 1 19 19 GLN N N 19 114.221 114.221 116.737 -2.516 18171
452 1 2 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.344 -0.277 18171
453 1 2 . 1 1 19 19 GLN C C 19 175.843 175.843 175.607 0.236 18171
454 1 2 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.506 0.641 18171
455 1 2 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.760 -0.140 18171
456 1 2 . 1 1 19 19 GLN H H 19 7.414 7.414 7.549 -0.135 18171
457 1 2 . 1 1 20 20 ASN N N 20 119.994 119.994 119.364 0.630 18171
458 1 2 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.191 -0.308 18171
459 1 2 . 1 1 20 20 ASN C C 20 174.726 174.726 173.984 0.742 18171
460 1 2 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.298 0.303 18171
461 1 2 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.631 -1.374 18171
462 1 2 . 1 1 20 20 ASN H H 20 7.497 7.497 7.972 -0.475 18171
463 1 2 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.340 -0.151 18171
464 1 2 . 1 1 21 21 PRO C C 21 178.747 178.747 178.559 0.188 18171
465 1 2 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.616 -0.570 18171
466 1 2 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.128 -0.007 18171
467 1 2 . 1 1 22 22 ARG N N 22 117.899 117.899 118.423 -0.524 18171
468 1 2 . 1 1 22 22 ARG HA H 22 4.093 4.093 3.937 0.156 18171
469 1 2 . 1 1 22 22 ARG C C 22 178.827 178.827 178.496 0.331 18171
470 1 2 . 1 1 22 22 ARG CA C 22 58.986 58.986 59.437 -0.451 18171
471 1 2 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.598 0.833 18171
472 1 2 . 1 1 22 22 ARG H H 22 8.066 8.066 8.428 -0.362 18171
473 1 2 . 1 1 23 23 VAL N N 23 119.694 119.694 119.203 0.491 18171
474 1 2 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.555 -0.172 18171
475 1 2 . 1 1 23 23 VAL C C 23 177.319 177.319 177.458 -0.139 18171
476 1 2 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.015 -0.267 18171
477 1 2 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.363 0.158 18171
478 1 2 . 1 1 23 23 VAL H H 23 7.199 7.199 7.519 -0.320 18171
479 1 2 . 1 1 24 24 GLN N N 24 117.842 117.842 119.571 -1.729 18171
480 1 2 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.704 -0.071 18171
481 1 2 . 1 1 24 24 GLN C C 24 177.902 177.902 178.123 -0.221 18171
482 1 2 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.228 0.441 18171
483 1 2 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.574 -0.554 18171
484 1 2 . 1 1 24 24 GLN H H 24 7.790 7.790 8.372 -0.582 18171
485 1 2 . 1 1 25 25 ALA N N 25 119.267 119.267 120.644 -1.377 18171
486 1 2 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.036 0.010 18171
487 1 2 . 1 1 25 25 ALA C C 25 179.854 179.854 178.807 1.047 18171
488 1 2 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.624 0.422 18171
489 1 2 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.254 -0.430 18171
490 1 2 . 1 1 25 25 ALA H H 25 7.808 7.808 8.366 -0.558 18171
491 1 2 . 1 1 26 26 ALA N N 26 120.738 120.738 122.316 -1.578 18171
492 1 2 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.512 0.409 18171
493 1 2 . 1 1 26 26 ALA C C 26 179.988 179.988 179.524 0.464 18171
494 1 2 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.324 0.875 18171
495 1 2 . 1 1 26 26 ALA CB C 26 18.171 18.171 17.995 0.175 18171
496 1 2 . 1 1 26 26 ALA H H 26 7.500 7.500 7.275 0.225 18171
497 1 2 . 1 1 27 27 LEU N N 27 118.511 118.511 119.078 -0.567 18171
498 1 2 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.142 -0.229 18171
499 1 2 . 1 1 27 27 LEU C C 27 179.923 179.923 179.006 0.917 18171
500 1 2 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.749 0.310 18171
501 1 2 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.932 -1.004 18171
502 1 2 . 1 1 27 27 LEU H H 27 8.324 8.324 8.310 0.014 18171
503 1 2 . 1 1 28 28 MET N N 28 118.681 118.681 118.517 0.164 18171
504 1 2 . 1 1 28 28 MET HA H 28 4.144 4.144 4.125 0.019 18171
505 1 2 . 1 1 28 28 MET C C 28 179.635 179.635 178.379 1.256 18171
506 1 2 . 1 1 28 28 MET CA C 28 58.734 58.734 57.802 0.932 18171
507 1 2 . 1 1 28 28 MET CB C 28 31.901 31.901 32.486 -0.585 18171
508 1 2 . 1 1 28 28 MET H H 28 8.127 8.127 8.242 -0.115 18171
509 1 2 . 1 1 29 29 GLU N N 29 119.813 119.813 118.889 0.924 18171
510 1 2 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.194 0.032 18171
511 1 2 . 1 1 29 29 GLU C C 29 180.544 180.544 178.799 1.745 18171
512 1 2 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.909 0.787 18171
513 1 2 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.986 -0.309 18171
514 1 2 . 1 1 29 29 GLU H H 29 8.302 8.302 8.280 0.022 18171
515 1 2 . 1 1 30 30 CYS N N 30 118.465 118.465 118.021 0.444 18171
516 1 2 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.543 -0.090 18171
517 1 2 . 1 1 30 30 CYS C C 30 175.357 175.357 176.266 -0.909 18171
518 1 2 . 1 1 30 30 CYS CA C 30 62.482 62.482 61.236 1.246 18171
519 1 2 . 1 1 30 30 CYS CB C 30 26.790 26.790 28.179 -1.389 18171
520 1 2 . 1 1 30 30 CYS H H 30 8.465 8.465 7.982 0.483 18171
521 1 2 . 1 1 31 31 SER N N 31 114.366 114.366 115.546 -1.180 18171
522 1 2 . 1 1 31 31 SER HA H 31 4.174 4.174 4.192 -0.018 18171
523 1 2 . 1 1 31 31 SER C C 31 175.371 175.371 175.954 -0.583 18171
524 1 2 . 1 1 31 31 SER CA C 31 60.932 60.932 61.136 -0.205 18171
525 1 2 . 1 1 31 31 SER CB C 31 62.749 62.749 62.890 -0.141 18171
526 1 2 . 1 1 31 31 SER H H 31 7.859 7.859 7.833 0.026 18171
527 1 2 . 1 1 32 32 GLU N N 32 119.996 119.996 120.204 -0.208 18171
528 1 2 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.210 -0.006 18171
529 1 2 . 1 1 32 32 GLU C C 32 176.983 176.983 176.674 0.309 18171
530 1 2 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.329 -0.357 18171
531 1 2 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.541 -0.464 18171
532 1 2 . 1 1 32 32 GLU H H 32 7.254 7.254 7.970 -0.716 18171
533 1 2 . 1 1 33 33 ASN N N 33 113.026 113.026 112.538 0.488 18171
534 1 2 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.912 0.061 18171
535 1 2 . 1 1 33 33 ASN C C 33 173.504 173.504 173.243 0.261 18171
536 1 2 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.645 -1.909 18171
537 1 2 . 1 1 33 33 ASN CB C 33 39.485 39.485 38.679 0.806 18171
538 1 2 . 1 1 33 33 ASN H H 33 7.370 7.370 7.569 -0.199 18171
539 1 2 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.387 0.187 18171
540 1 2 . 1 1 34 34 PRO C C 34 178.270 178.270 177.255 1.015 18171
541 1 2 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.811 0.016 18171
542 1 2 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.997 -0.243 18171
543 1 2 . 1 1 35 35 MET N N 35 115.258 115.258 114.175 1.083 18171
544 1 2 . 1 1 35 35 MET HA H 35 4.330 4.330 4.250 0.080 18171
545 1 2 . 1 1 35 35 MET C C 35 178.569 178.569 177.360 1.209 18171
546 1 2 . 1 1 35 35 MET CA C 35 57.050 57.050 56.380 0.670 18171
547 1 2 . 1 1 35 35 MET CB C 35 31.300 31.300 30.875 0.425 18171
548 1 2 . 1 1 35 35 MET H H 35 7.962 7.962 8.044 -0.082 18171
549 1 2 . 1 1 36 36 ASN N N 36 117.357 117.357 118.834 -1.477 18171
550 1 2 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.569 0.004 18171
551 1 2 . 1 1 36 36 ASN C C 36 176.470 176.470 177.517 -1.047 18171
552 1 2 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.954 -0.828 18171
553 1 2 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.629 0.813 18171
554 1 2 . 1 1 36 36 ASN H H 36 8.462 8.462 8.351 0.111 18171
555 1 2 . 1 1 37 37 ILE N N 37 121.622 121.622 122.432 -0.810 18171
556 1 2 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.825 0.285 18171
557 1 2 . 1 1 37 37 ILE C C 37 177.331 177.331 177.299 0.032 18171
558 1 2 . 1 1 37 37 ILE CA C 37 62.588 62.588 63.215 -0.627 18171
559 1 2 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.923 0.092 18171
560 1 2 . 1 1 37 37 ILE H H 37 7.820 7.820 7.553 0.267 18171
561 1 2 . 1 1 38 38 MET N N 38 118.071 118.071 116.099 1.972 18171
562 1 2 . 1 1 38 38 MET HA H 38 4.174 4.174 4.160 0.014 18171
563 1 2 . 1 1 38 38 MET C C 38 178.456 178.456 177.326 1.130 18171
564 1 2 . 1 1 38 38 MET CA C 38 57.563 57.563 57.044 0.519 18171
565 1 2 . 1 1 38 38 MET CB C 38 31.533 31.533 31.469 0.064 18171
566 1 2 . 1 1 38 38 MET H H 38 7.479 7.479 7.591 -0.112 18171
567 1 2 . 1 1 39 39 LYS N N 39 117.427 117.427 118.366 -0.939 18171
568 1 2 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.129 -0.182 18171
569 1 2 . 1 1 39 39 LYS C C 39 177.456 177.456 178.547 -1.091 18171
570 1 2 . 1 1 39 39 LYS CA C 39 58.012 58.012 57.832 0.180 18171
571 1 2 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.480 -1.706 18171
572 1 2 . 1 1 39 39 LYS H H 39 7.580 7.580 7.715 -0.135 18171
573 1 2 . 1 1 40 40 TYR N N 40 116.049 116.049 118.766 -2.717 18171
574 1 2 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.663 -0.133 18171
575 1 2 . 1 1 40 40 TYR C C 40 175.635 175.635 178.324 -2.689 18171
576 1 2 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.609 -0.211 18171
577 1 2 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.713 2.777 18171
578 1 2 . 1 1 40 40 TYR H H 40 7.651 7.651 7.669 -0.018 18171
579 1 2 . 1 1 41 41 GLN N N 41 116.626 116.626 119.895 -3.269 18171
580 1 2 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.971 0.362 18171
581 1 2 . 1 1 41 41 GLN C C 41 175.887 175.887 176.190 -0.303 18171
582 1 2 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.599 -0.013 18171
583 1 2 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.856 1.191 18171
584 1 2 . 1 1 41 41 GLN H H 41 7.001 7.001 7.773 -0.772 18171
585 1 2 . 1 1 42 42 ASN N N 42 114.491 114.491 113.959 0.532 18171
586 1 2 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.642 0.220 18171
587 1 2 . 1 1 42 42 ASN C C 42 173.784 173.784 175.234 -1.450 18171
588 1 2 . 1 1 42 42 ASN CA C 42 52.532 52.532 52.858 -0.326 18171
589 1 2 . 1 1 42 42 ASN CB C 42 38.588 38.588 38.935 -0.347 18171
590 1 2 . 1 1 42 42 ASN H H 42 8.281 8.281 7.585 0.697 18171
591 1 2 . 1 1 43 43 ASP N N 43 122.981 122.981 122.523 0.458 18171
592 1 2 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.738 0.017 18171
593 1 2 . 1 1 43 43 ASP C C 43 174.773 174.773 176.034 -1.261 18171
594 1 2 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.127 -0.520 18171
595 1 2 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.937 0.432 18171
596 1 2 . 1 1 43 43 ASP H H 43 7.960 7.960 8.205 -0.245 18171
597 1 2 . 1 1 44 44 LYS N N 44 125.893 125.893 127.632 -1.739 18171
598 1 2 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.897 -0.037 18171
599 1 2 . 1 1 44 44 LYS C C 44 177.796 177.796 178.176 -0.380 18171
600 1 2 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.410 0.387 18171
601 1 2 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.543 -0.007 18171
602 1 2 . 1 1 44 44 LYS H H 44 8.361 8.361 8.006 0.355 18171
603 1 2 . 1 1 45 45 GLU N N 45 116.698 116.698 118.247 -1.549 18171
604 1 2 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.121 -0.054 18171
605 1 2 . 1 1 45 45 GLU C C 45 178.724 178.724 178.805 -0.081 18171
606 1 2 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.449 0.006 18171
607 1 2 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.307 0.450 18171
608 1 2 . 1 1 45 45 GLU H H 45 8.127 8.127 7.938 0.189 18171
609 1 2 . 1 1 46 46 VAL N N 46 117.476 117.476 119.720 -2.244 18171
610 1 2 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.689 -0.275 18171
611 1 2 . 1 1 46 46 VAL C C 46 177.879 177.879 178.010 -0.131 18171
612 1 2 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.222 0.208 18171
613 1 2 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.511 0.517 18171
614 1 2 . 1 1 46 46 VAL H H 46 7.452 7.452 7.535 -0.083 18171
615 1 2 . 1 1 47 47 MET N N 47 117.027 117.027 120.062 -3.035 18171
616 1 2 . 1 1 47 47 MET HA H 47 4.479 4.479 4.033 0.446 18171
617 1 2 . 1 1 47 47 MET C C 47 179.307 179.307 178.577 0.730 18171
618 1 2 . 1 1 47 47 MET CA C 47 56.809 56.809 59.989 -3.180 18171
619 1 2 . 1 1 47 47 MET CB C 47 30.371 30.371 32.109 -1.738 18171
620 1 2 . 1 1 47 47 MET H H 47 8.542 8.542 8.238 0.304 18171
621 1 2 . 1 1 48 48 ASP N N 48 119.811 119.811 120.279 -0.468 18171
622 1 2 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.472 0.020 18171
623 1 2 . 1 1 48 48 ASP C C 48 179.136 179.136 179.065 0.071 18171
624 1 2 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.853 -0.282 18171
625 1 2 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.448 0.005 18171
626 1 2 . 1 1 48 48 ASP H H 48 8.580 8.580 8.087 0.493 18171
627 1 2 . 1 1 49 49 VAL N N 49 118.816 118.816 120.637 -1.821 18171
628 1 2 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.709 -0.071 18171
629 1 2 . 1 1 49 49 VAL C C 49 177.777 177.777 177.724 0.053 18171
630 1 2 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.771 -0.314 18171
631 1 2 . 1 1 49 49 VAL CB C 49 31.066 31.066 32.184 -1.118 18171
632 1 2 . 1 1 49 49 VAL H H 49 7.319 7.319 7.592 -0.273 18171
633 1 2 . 1 1 50 50 PHE N N 50 120.305 120.305 119.101 1.204 18171
634 1 2 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.229 -0.093 18171
635 1 2 . 1 1 50 50 PHE C C 50 178.505 178.505 178.054 0.451 18171
636 1 2 . 1 1 50 50 PHE CA C 50 61.540 61.540 61.984 -0.444 18171
637 1 2 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.608 -0.299 18171
638 1 2 . 1 1 50 50 PHE H H 50 8.529 8.529 9.201 -0.672 18171
639 1 2 . 1 1 51 51 ASN N N 51 117.888 117.888 117.430 0.458 18171
640 1 2 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.571 -0.156 18171
641 1 2 . 1 1 51 51 ASN C C 51 177.863 177.863 177.105 0.758 18171
642 1 2 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.763 0.405 18171
643 1 2 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.555 -0.246 18171
644 1 2 . 1 1 51 51 ASN H H 51 8.886 8.886 8.549 0.337 18171
645 1 2 . 1 1 52 52 LYS N N 52 120.120 120.120 120.707 -0.587 18171
646 1 2 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.043 0.067 18171
647 1 2 . 1 1 52 52 LYS C C 52 179.002 179.002 178.428 0.574 18171
648 1 2 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.153 -0.179 18171
649 1 2 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.373 -0.318 18171
650 1 2 . 1 1 52 52 LYS H H 52 7.760 7.760 7.185 0.575 18171
651 1 2 . 1 1 53 53 ILE N N 53 117.988 117.988 119.434 -1.446 18171
652 1 2 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.607 0.150 18171
653 1 2 . 1 1 53 53 ILE C C 53 177.686 177.686 177.522 0.164 18171
654 1 2 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.798 0.243 18171
655 1 2 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.871 -0.204 18171
656 1 2 . 1 1 53 53 ILE H H 53 8.400 8.400 8.589 -0.189 18171
657 1 2 . 1 1 54 54 SER N N 54 114.267 114.267 113.165 1.102 18171
658 1 2 . 1 1 54 54 SER HA H 54 4.050 4.050 4.234 -0.184 18171
659 1 2 . 1 1 54 54 SER C C 54 175.690 175.690 175.836 -0.146 18171
660 1 2 . 1 1 54 54 SER CA C 54 61.417 61.417 60.202 1.215 18171
661 1 2 . 1 1 54 54 SER CB C 54 62.922 62.922 63.052 -0.130 18171
662 1 2 . 1 1 54 54 SER H H 54 8.042 8.042 7.582 0.460 18171
663 1 2 . 1 1 55 55 GLN N N 55 118.045 118.045 118.797 -0.752 18171
664 1 2 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.138 0.002 18171
665 1 2 . 1 1 55 55 GLN C C 55 177.193 177.193 177.238 -0.045 18171
666 1 2 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.786 -0.704 18171
667 1 2 . 1 1 55 55 GLN CB C 55 28.720 28.720 28.986 -0.266 18171
668 1 2 . 1 1 55 55 GLN H H 55 7.415 7.415 7.360 0.055 18171
669 1 2 . 1 1 56 56 LEU N N 56 118.492 118.492 116.689 1.803 18171
670 1 2 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.175 -0.142 18171
671 1 2 . 1 1 56 56 LEU C C 56 176.578 176.578 176.833 -0.255 18171
672 1 2 . 1 1 56 56 LEU CA C 56 55.905 55.905 55.828 0.077 18171
673 1 2 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.737 -0.188 18171
674 1 2 . 1 1 56 56 LEU H H 56 7.732 7.732 7.403 0.329 18171
675 1 2 . 1 1 57 57 PHE N N 57 116.774 116.774 115.785 0.989 18171
676 1 2 . 1 1 57 57 PHE HA H 57 4.892 4.892 5.003 -0.111 18171
677 1 2 . 1 1 57 57 PHE C C 57 173.125 173.125 174.727 -1.602 18171
678 1 2 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.777 1.434 18171
679 1 2 . 1 1 57 57 PHE CB C 57 39.023 39.023 37.837 1.186 18171
680 1 2 . 1 1 57 57 PHE H H 57 7.629 7.629 7.435 0.194 18171
681 1 2 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.410 0.070 18171
682 1 2 . 1 1 58 58 PRO C C 58 178.090 178.090 176.929 1.161 18171
683 1 2 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.777 0.195 18171
684 1 2 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.906 -0.979 18171
685 1 2 . 1 1 59 59 GLY N N 59 108.335 108.335 106.288 2.047 18171
686 1 2 . 1 1 59 59 GLY C C 59 174.930 174.930 173.085 1.845 18171
687 1 2 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.651 -0.267 18171
688 1 2 . 1 1 59 59 GLY H H 59 8.411 8.411 7.669 0.742 18171
689 1 2 . 1 1 60 60 MET N N 60 119.206 119.206 123.290 -4.084 18171
690 1 2 . 1 1 60 60 MET HA H 60 4.467 4.467 4.522 -0.055 18171
691 1 2 . 1 1 60 60 MET C C 60 176.320 176.320 176.050 0.270 18171
692 1 2 . 1 1 60 60 MET CA C 60 56.395 56.395 56.848 -0.453 18171
693 1 2 . 1 1 60 60 MET CB C 60 32.964 32.964 32.615 0.349 18171
694 1 2 . 1 1 60 60 MET H H 60 8.053 8.053 8.105 -0.052 18171
695 1 2 . 1 1 61 61 THR N N 61 111.041 111.041 116.625 -5.584 18171
696 1 2 . 1 1 61 61 THR HA H 61 4.402 4.402 4.140 0.262 18171
697 1 2 . 1 1 61 61 THR C C 61 173.976 173.976 175.698 -1.722 18171
698 1 2 . 1 1 61 61 THR CA C 61 61.233 61.233 63.407 -2.174 18171
699 1 2 . 1 1 61 61 THR CB C 61 70.120 70.120 68.834 1.286 18171
700 1 2 . 1 1 61 61 THR H H 61 7.880 7.880 8.006 -0.126 18171
701 1 3 . 1 1 2 2 GLU N N 2 115.081 115.081 121.521 -6.440 18171
702 1 3 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.063 -0.203 18171
703 1 3 . 1 1 2 2 GLU C C 2 179.259 179.259 178.525 0.734 18171
704 1 3 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.104 1.256 18171
705 1 3 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.054 -0.328 18171
706 1 3 . 1 1 2 2 GLU H H 2 8.756 8.756 8.961 -0.205 18171
707 1 3 . 1 1 3 3 GLU N N 3 120.051 120.051 118.762 1.289 18171
708 1 3 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.023 -0.007 18171
709 1 3 . 1 1 3 3 GLU C C 3 178.863 178.863 178.755 0.108 18171
710 1 3 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.477 -0.471 18171
711 1 3 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.375 0.990 18171
712 1 3 . 1 1 3 3 GLU H H 3 7.722 7.722 8.492 -0.770 18171
713 1 3 . 1 1 4 4 VAL N N 4 120.223 120.223 119.671 0.552 18171
714 1 3 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.705 -0.196 18171
715 1 3 . 1 1 4 4 VAL C C 4 177.687 177.687 178.166 -0.479 18171
716 1 3 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.669 0.998 18171
717 1 3 . 1 1 4 4 VAL CB C 4 31.541 31.541 32.014 -0.473 18171
718 1 3 . 1 1 4 4 VAL H H 4 7.815 7.815 7.402 0.413 18171
719 1 3 . 1 1 5 5 ILE N N 5 118.475 118.475 119.550 -1.075 18171
720 1 3 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.536 -0.036 18171
721 1 3 . 1 1 5 5 ILE C C 5 177.638 177.638 177.877 -0.239 18171
722 1 3 . 1 1 5 5 ILE CA C 5 64.361 64.361 65.029 -0.668 18171
723 1 3 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.341 -0.205 18171
724 1 3 . 1 1 5 5 ILE H H 5 8.293 8.293 8.023 0.270 18171
725 1 3 . 1 1 6 6 SER N N 6 113.327 113.327 114.621 -1.294 18171
726 1 3 . 1 1 6 6 SER HA H 6 4.034 4.034 4.160 -0.126 18171
727 1 3 . 1 1 6 6 SER C C 6 176.398 176.398 176.119 0.279 18171
728 1 3 . 1 1 6 6 SER CA C 6 61.781 61.781 61.712 0.069 18171
729 1 3 . 1 1 6 6 SER CB C 6 62.770 62.770 63.083 -0.313 18171
730 1 3 . 1 1 6 6 SER H H 6 7.740 7.740 7.764 -0.024 18171
731 1 3 . 1 1 7 7 LYS N N 7 119.755 119.755 122.716 -2.961 18171
732 1 3 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.089 0.054 18171
733 1 3 . 1 1 7 7 LYS C C 7 179.622 179.622 178.277 1.345 18171
734 1 3 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.580 -0.574 18171
735 1 3 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.737 0.005 18171
736 1 3 . 1 1 7 7 LYS H H 7 7.523 7.523 7.930 -0.407 18171
737 1 3 . 1 1 8 8 ILE N N 8 119.544 119.544 120.249 -0.705 18171
738 1 3 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.652 -0.009 18171
739 1 3 . 1 1 8 8 ILE C C 8 177.510 177.510 177.184 0.326 18171
740 1 3 . 1 1 8 8 ILE CA C 8 65.180 65.180 62.952 2.228 18171
741 1 3 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.108 1.353 18171
742 1 3 . 1 1 8 8 ILE H H 8 8.132 8.132 7.870 0.262 18171
743 1 3 . 1 1 9 9 MET N N 9 114.616 114.616 117.914 -3.298 18171
744 1 3 . 1 1 9 9 MET HA H 9 4.104 4.104 4.144 -0.040 18171
745 1 3 . 1 1 9 9 MET C C 9 177.018 177.018 176.947 0.071 18171
746 1 3 . 1 1 9 9 MET CA C 9 56.601 56.601 57.852 -1.251 18171
747 1 3 . 1 1 9 9 MET CB C 9 31.479 31.479 31.749 -0.270 18171
748 1 3 . 1 1 9 9 MET H H 9 7.835 7.835 7.575 0.260 18171
749 1 3 . 1 1 10 10 GLU N N 10 116.206 116.206 118.930 -2.724 18171
750 1 3 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.112 0.040 18171
751 1 3 . 1 1 10 10 GLU C C 10 176.263 176.263 176.935 -0.672 18171
752 1 3 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.027 0.056 18171
753 1 3 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.765 0.245 18171
754 1 3 . 1 1 10 10 GLU H H 10 7.318 7.318 7.902 -0.584 18171
755 1 3 . 1 1 11 11 ASN N N 11 119.007 119.007 117.699 1.308 18171
756 1 3 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.044 0.097 18171
757 1 3 . 1 1 11 11 ASN C C 11 173.093 173.093 173.064 0.029 18171
758 1 3 . 1 1 11 11 ASN CA C 11 50.709 50.709 51.243 -0.534 18171
759 1 3 . 1 1 11 11 ASN CB C 11 40.100 40.100 39.216 0.884 18171
760 1 3 . 1 1 11 11 ASN H H 11 7.707 7.707 7.787 -0.080 18171
761 1 3 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.028 0.255 18171
762 1 3 . 1 1 12 12 PRO C C 12 177.932 177.932 177.260 0.672 18171
763 1 3 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.481 -0.253 18171
764 1 3 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.642 0.366 18171
765 1 3 . 1 1 13 13 ASP N N 13 116.410 116.410 117.960 -1.550 18171
766 1 3 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.417 0.008 18171
767 1 3 . 1 1 13 13 ASP C C 13 178.456 178.456 177.900 0.556 18171
768 1 3 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.196 -0.387 18171
769 1 3 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.476 -0.537 18171
770 1 3 . 1 1 13 13 ASP H H 13 8.218 8.218 8.213 0.005 18171
771 1 3 . 1 1 14 14 VAL N N 14 120.053 120.053 120.658 -0.605 18171
772 1 3 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.801 -0.019 18171
773 1 3 . 1 1 14 14 VAL C C 14 177.045 177.045 177.571 -0.526 18171
774 1 3 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.683 -1.333 18171
775 1 3 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.365 0.396 18171
776 1 3 . 1 1 14 14 VAL H H 14 7.722 7.722 8.107 -0.385 18171
777 1 3 . 1 1 15 15 ALA N N 15 121.814 121.814 122.338 -0.524 18171
778 1 3 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.778 0.144 18171
779 1 3 . 1 1 15 15 ALA C C 15 180.315 180.315 179.175 1.140 18171
780 1 3 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.095 0.559 18171
781 1 3 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.163 0.014 18171
782 1 3 . 1 1 15 15 ALA H H 15 8.245 8.245 7.428 0.817 18171
783 1 3 . 1 1 16 16 MET N N 16 114.438 114.438 117.175 -2.737 18171
784 1 3 . 1 1 16 16 MET HA H 16 4.234 4.234 4.295 -0.061 18171
785 1 3 . 1 1 16 16 MET C C 16 178.930 178.930 178.606 0.324 18171
786 1 3 . 1 1 16 16 MET CA C 16 58.011 58.011 58.161 -0.150 18171
787 1 3 . 1 1 16 16 MET CB C 16 32.027 32.027 32.934 -0.907 18171
788 1 3 . 1 1 16 16 MET H H 16 7.878 7.878 7.725 0.153 18171
789 1 3 . 1 1 17 17 ALA N N 17 123.280 123.280 123.435 -0.155 18171
790 1 3 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.155 0.023 18171
791 1 3 . 1 1 17 17 ALA C C 17 179.091 179.091 179.435 -0.344 18171
792 1 3 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.929 -0.366 18171
793 1 3 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.169 0.222 18171
794 1 3 . 1 1 17 17 ALA H H 17 7.647 7.647 8.152 -0.505 18171
795 1 3 . 1 1 18 18 PHE N N 18 114.808 114.808 116.059 -1.251 18171
796 1 3 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.303 -0.185 18171
797 1 3 . 1 1 18 18 PHE C C 18 175.169 175.169 176.641 -1.472 18171
798 1 3 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.164 -0.730 18171
799 1 3 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.642 0.401 18171
800 1 3 . 1 1 18 18 PHE H H 18 8.032 8.032 8.698 -0.666 18171
801 1 3 . 1 1 19 19 GLN N N 19 114.221 114.221 116.558 -2.337 18171
802 1 3 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.358 -0.291 18171
803 1 3 . 1 1 19 19 GLN C C 19 175.843 175.843 175.661 0.182 18171
804 1 3 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.321 0.826 18171
805 1 3 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.593 0.027 18171
806 1 3 . 1 1 19 19 GLN H H 19 7.414 7.414 7.575 -0.161 18171
807 1 3 . 1 1 20 20 ASN N N 20 119.994 119.994 119.785 0.209 18171
808 1 3 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.224 -0.341 18171
809 1 3 . 1 1 20 20 ASN C C 20 174.726 174.726 174.271 0.455 18171
810 1 3 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.400 0.201 18171
811 1 3 . 1 1 20 20 ASN CB C 20 39.257 39.257 39.515 -0.258 18171
812 1 3 . 1 1 20 20 ASN H H 20 7.497 7.497 7.834 -0.337 18171
813 1 3 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.368 -0.179 18171
814 1 3 . 1 1 21 21 PRO C C 21 178.747 178.747 178.606 0.141 18171
815 1 3 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.673 -0.627 18171
816 1 3 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.311 -0.190 18171
817 1 3 . 1 1 22 22 ARG N N 22 117.899 117.899 118.279 -0.380 18171
818 1 3 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.046 0.047 18171
819 1 3 . 1 1 22 22 ARG C C 22 178.827 178.827 178.551 0.276 18171
820 1 3 . 1 1 22 22 ARG CA C 22 58.986 58.986 59.572 -0.586 18171
821 1 3 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.624 0.807 18171
822 1 3 . 1 1 22 22 ARG H H 22 8.066 8.066 8.429 -0.363 18171
823 1 3 . 1 1 23 23 VAL N N 23 119.694 119.694 119.218 0.476 18171
824 1 3 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.661 -0.277 18171
825 1 3 . 1 1 23 23 VAL C C 23 177.319 177.319 177.604 -0.285 18171
826 1 3 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.127 -0.379 18171
827 1 3 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.338 0.183 18171
828 1 3 . 1 1 23 23 VAL H H 23 7.199 7.199 7.566 -0.367 18171
829 1 3 . 1 1 24 24 GLN N N 24 117.842 117.842 119.676 -1.834 18171
830 1 3 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.708 -0.075 18171
831 1 3 . 1 1 24 24 GLN C C 24 177.902 177.902 178.144 -0.242 18171
832 1 3 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.185 0.484 18171
833 1 3 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.590 -0.570 18171
834 1 3 . 1 1 24 24 GLN H H 24 7.790 7.790 8.211 -0.421 18171
835 1 3 . 1 1 25 25 ALA N N 25 119.267 119.267 121.090 -1.823 18171
836 1 3 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.102 -0.056 18171
837 1 3 . 1 1 25 25 ALA C C 25 179.854 179.854 179.079 0.775 18171
838 1 3 . 1 1 25 25 ALA CA C 25 55.046 55.046 55.002 0.044 18171
839 1 3 . 1 1 25 25 ALA CB C 25 17.824 17.824 17.975 -0.151 18171
840 1 3 . 1 1 25 25 ALA H H 25 7.808 7.808 8.480 -0.672 18171
841 1 3 . 1 1 26 26 ALA N N 26 120.738 120.738 121.981 -1.243 18171
842 1 3 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.421 0.500 18171
843 1 3 . 1 1 26 26 ALA C C 26 179.988 179.988 179.751 0.237 18171
844 1 3 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.339 0.860 18171
845 1 3 . 1 1 26 26 ALA CB C 26 18.171 18.171 17.686 0.485 18171
846 1 3 . 1 1 26 26 ALA H H 26 7.500 7.500 7.061 0.439 18171
847 1 3 . 1 1 27 27 LEU N N 27 118.511 118.511 119.245 -0.734 18171
848 1 3 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.011 -0.098 18171
849 1 3 . 1 1 27 27 LEU C C 27 179.923 179.923 179.023 0.900 18171
850 1 3 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.841 0.218 18171
851 1 3 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.790 -0.862 18171
852 1 3 . 1 1 27 27 LEU H H 27 8.324 8.324 8.368 -0.044 18171
853 1 3 . 1 1 28 28 MET N N 28 118.681 118.681 118.280 0.401 18171
854 1 3 . 1 1 28 28 MET HA H 28 4.144 4.144 3.954 0.190 18171
855 1 3 . 1 1 28 28 MET C C 28 179.635 179.635 178.048 1.587 18171
856 1 3 . 1 1 28 28 MET CA C 28 58.734 58.734 59.093 -0.359 18171
857 1 3 . 1 1 28 28 MET CB C 28 31.901 31.901 32.648 -0.747 18171
858 1 3 . 1 1 28 28 MET H H 28 8.127 8.127 8.389 -0.262 18171
859 1 3 . 1 1 29 29 GLU N N 29 119.813 119.813 119.751 0.062 18171
860 1 3 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.093 0.133 18171
861 1 3 . 1 1 29 29 GLU C C 29 180.544 180.544 179.253 1.291 18171
862 1 3 . 1 1 29 29 GLU CA C 29 59.696 59.696 59.052 0.644 18171
863 1 3 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.529 0.148 18171
864 1 3 . 1 1 29 29 GLU H H 29 8.302 8.302 8.313 -0.011 18171
865 1 3 . 1 1 30 30 CYS N N 30 118.465 118.465 118.338 0.127 18171
866 1 3 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.359 0.094 18171
867 1 3 . 1 1 30 30 CYS C C 30 175.357 175.357 175.885 -0.528 18171
868 1 3 . 1 1 30 30 CYS CA C 30 62.482 62.482 61.834 0.648 18171
869 1 3 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.460 -0.670 18171
870 1 3 . 1 1 30 30 CYS H H 30 8.465 8.465 8.488 -0.023 18171
871 1 3 . 1 1 31 31 SER N N 31 114.366 114.366 115.588 -1.222 18171
872 1 3 . 1 1 31 31 SER HA H 31 4.174 4.174 4.213 -0.039 18171
873 1 3 . 1 1 31 31 SER C C 31 175.371 175.371 176.409 -1.038 18171
874 1 3 . 1 1 31 31 SER CA C 31 60.932 60.932 61.325 -0.393 18171
875 1 3 . 1 1 31 31 SER CB C 31 62.749 62.749 62.635 0.114 18171
876 1 3 . 1 1 31 31 SER H H 31 7.859 7.859 7.575 0.284 18171
877 1 3 . 1 1 32 32 GLU N N 32 119.996 119.996 121.709 -1.713 18171
878 1 3 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.187 0.017 18171
879 1 3 . 1 1 32 32 GLU C C 32 176.983 176.983 176.880 0.103 18171
880 1 3 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.258 -0.286 18171
881 1 3 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.373 -0.296 18171
882 1 3 . 1 1 32 32 GLU H H 32 7.254 7.254 8.287 -1.033 18171
883 1 3 . 1 1 33 33 ASN N N 33 113.026 113.026 113.216 -0.190 18171
884 1 3 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.971 0.002 18171
885 1 3 . 1 1 33 33 ASN C C 33 173.504 173.504 173.090 0.414 18171
886 1 3 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.667 -1.931 18171
887 1 3 . 1 1 33 33 ASN CB C 33 39.485 39.485 38.990 0.495 18171
888 1 3 . 1 1 33 33 ASN H H 33 7.370 7.370 8.461 -1.091 18171
889 1 3 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.299 0.275 18171
890 1 3 . 1 1 34 34 PRO C C 34 178.270 178.270 177.733 0.537 18171
891 1 3 . 1 1 34 34 PRO CA C 34 64.827 64.827 65.037 -0.210 18171
892 1 3 . 1 1 34 34 PRO CB C 34 31.754 31.754 32.004 -0.250 18171
893 1 3 . 1 1 35 35 MET N N 35 115.258 115.258 113.398 1.860 18171
894 1 3 . 1 1 35 35 MET HA H 35 4.330 4.330 4.399 -0.069 18171
895 1 3 . 1 1 35 35 MET C C 35 178.569 178.569 176.947 1.622 18171
896 1 3 . 1 1 35 35 MET CA C 35 57.050 57.050 57.517 -0.467 18171
897 1 3 . 1 1 35 35 MET CB C 35 31.300 31.300 31.299 0.000 18171
898 1 3 . 1 1 35 35 MET H H 35 7.962 7.962 7.886 0.076 18171
899 1 3 . 1 1 36 36 ASN N N 36 117.357 117.357 119.407 -2.050 18171
900 1 3 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.562 0.011 18171
901 1 3 . 1 1 36 36 ASN C C 36 176.470 176.470 177.407 -0.937 18171
902 1 3 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.843 -0.717 18171
903 1 3 . 1 1 36 36 ASN CB C 36 38.442 38.442 38.680 -0.238 18171
904 1 3 . 1 1 36 36 ASN H H 36 8.462 8.462 8.451 0.011 18171
905 1 3 . 1 1 37 37 ILE N N 37 121.622 121.622 122.011 -0.389 18171
906 1 3 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.690 0.420 18171
907 1 3 . 1 1 37 37 ILE C C 37 177.331 177.331 176.574 0.757 18171
908 1 3 . 1 1 37 37 ILE CA C 37 62.588 62.588 63.651 -1.063 18171
909 1 3 . 1 1 37 37 ILE CB C 37 38.015 38.015 38.077 -0.062 18171
910 1 3 . 1 1 37 37 ILE H H 37 7.820 7.820 7.473 0.347 18171
911 1 3 . 1 1 38 38 MET N N 38 118.071 118.071 116.433 1.638 18171
912 1 3 . 1 1 38 38 MET HA H 38 4.174 4.174 4.125 0.049 18171
913 1 3 . 1 1 38 38 MET C C 38 178.456 178.456 177.428 1.028 18171
914 1 3 . 1 1 38 38 MET CA C 38 57.563 57.563 57.495 0.068 18171
915 1 3 . 1 1 38 38 MET CB C 38 31.533 31.533 31.533 0.000 18171
916 1 3 . 1 1 38 38 MET H H 38 7.479 7.479 7.709 -0.230 18171
917 1 3 . 1 1 39 39 LYS N N 39 117.427 117.427 118.641 -1.214 18171
918 1 3 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.082 -0.135 18171
919 1 3 . 1 1 39 39 LYS C C 39 177.456 177.456 178.670 -1.214 18171
920 1 3 . 1 1 39 39 LYS CA C 39 58.012 58.012 58.336 -0.324 18171
921 1 3 . 1 1 39 39 LYS CB C 39 31.773 31.773 32.987 -1.214 18171
922 1 3 . 1 1 39 39 LYS H H 39 7.580 7.580 7.875 -0.295 18171
923 1 3 . 1 1 40 40 TYR N N 40 116.049 116.049 118.357 -2.308 18171
924 1 3 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.284 0.246 18171
925 1 3 . 1 1 40 40 TYR C C 40 175.635 175.635 177.987 -2.352 18171
926 1 3 . 1 1 40 40 TYR CA C 40 58.398 58.398 59.146 -0.748 18171
927 1 3 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.902 2.588 18171
928 1 3 . 1 1 40 40 TYR H H 40 7.651 7.651 7.589 0.062 18171
929 1 3 . 1 1 41 41 GLN N N 41 116.626 116.626 120.646 -4.020 18171
930 1 3 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.962 0.371 18171
931 1 3 . 1 1 41 41 GLN C C 41 175.887 175.887 176.569 -0.682 18171
932 1 3 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.600 -0.014 18171
933 1 3 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.339 1.708 18171
934 1 3 . 1 1 41 41 GLN H H 41 7.001 7.001 7.808 -0.807 18171
935 1 3 . 1 1 42 42 ASN N N 42 114.491 114.491 115.880 -1.389 18171
936 1 3 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.602 0.260 18171
937 1 3 . 1 1 42 42 ASN C C 42 173.784 173.784 174.963 -1.179 18171
938 1 3 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.951 -1.419 18171
939 1 3 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.462 -0.874 18171
940 1 3 . 1 1 42 42 ASN H H 42 8.281 8.281 7.522 0.759 18171
941 1 3 . 1 1 43 43 ASP N N 43 122.981 122.981 122.129 0.852 18171
942 1 3 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.750 0.005 18171
943 1 3 . 1 1 43 43 ASP C C 43 174.773 174.773 176.114 -1.341 18171
944 1 3 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.006 -0.399 18171
945 1 3 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.642 0.727 18171
946 1 3 . 1 1 43 43 ASP H H 43 7.960 7.960 7.986 -0.026 18171
947 1 3 . 1 1 44 44 LYS N N 44 125.893 125.893 127.213 -1.320 18171
948 1 3 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.897 -0.037 18171
949 1 3 . 1 1 44 44 LYS C C 44 177.796 177.796 178.054 -0.258 18171
950 1 3 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.294 0.502 18171
951 1 3 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.539 -0.003 18171
952 1 3 . 1 1 44 44 LYS H H 44 8.361 8.361 7.981 0.380 18171
953 1 3 . 1 1 45 45 GLU N N 45 116.698 116.698 118.233 -1.535 18171
954 1 3 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.134 -0.067 18171
955 1 3 . 1 1 45 45 GLU C C 45 178.724 178.724 178.729 -0.005 18171
956 1 3 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.416 0.039 18171
957 1 3 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.337 0.420 18171
958 1 3 . 1 1 45 45 GLU H H 45 8.127 8.127 7.924 0.203 18171
959 1 3 . 1 1 46 46 VAL N N 46 117.476 117.476 119.788 -2.312 18171
960 1 3 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.706 -0.292 18171
961 1 3 . 1 1 46 46 VAL C C 46 177.879 177.879 178.009 -0.130 18171
962 1 3 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.177 0.254 18171
963 1 3 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.469 0.559 18171
964 1 3 . 1 1 46 46 VAL H H 46 7.452 7.452 7.594 -0.142 18171
965 1 3 . 1 1 47 47 MET N N 47 117.027 117.027 119.777 -2.750 18171
966 1 3 . 1 1 47 47 MET HA H 47 4.479 4.479 4.010 0.469 18171
967 1 3 . 1 1 47 47 MET C C 47 179.307 179.307 178.350 0.957 18171
968 1 3 . 1 1 47 47 MET CA C 47 56.809 56.809 60.072 -3.263 18171
969 1 3 . 1 1 47 47 MET CB C 47 30.371 30.371 32.037 -1.666 18171
970 1 3 . 1 1 47 47 MET H H 47 8.542 8.542 7.928 0.614 18171
971 1 3 . 1 1 48 48 ASP N N 48 119.811 119.811 119.459 0.352 18171
972 1 3 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.368 0.124 18171
973 1 3 . 1 1 48 48 ASP C C 48 179.136 179.136 179.070 0.066 18171
974 1 3 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.854 -0.283 18171
975 1 3 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.922 -0.469 18171
976 1 3 . 1 1 48 48 ASP H H 48 8.580 8.580 7.877 0.703 18171
977 1 3 . 1 1 49 49 VAL N N 49 118.816 118.816 119.613 -0.797 18171
978 1 3 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.762 -0.124 18171
979 1 3 . 1 1 49 49 VAL C C 49 177.777 177.777 177.701 0.076 18171
980 1 3 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.477 -0.020 18171
981 1 3 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.712 -0.646 18171
982 1 3 . 1 1 49 49 VAL H H 49 7.319 7.319 7.554 -0.235 18171
983 1 3 . 1 1 50 50 PHE N N 50 120.305 120.305 119.510 0.795 18171
984 1 3 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.122 0.014 18171
985 1 3 . 1 1 50 50 PHE C C 50 178.505 178.505 177.898 0.607 18171
986 1 3 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.576 -1.036 18171
987 1 3 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.602 -0.293 18171
988 1 3 . 1 1 50 50 PHE H H 50 8.529 8.529 9.156 -0.627 18171
989 1 3 . 1 1 51 51 ASN N N 51 117.888 117.888 117.221 0.667 18171
990 1 3 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.546 -0.131 18171
991 1 3 . 1 1 51 51 ASN C C 51 177.863 177.863 177.022 0.841 18171
992 1 3 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.893 0.275 18171
993 1 3 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.473 -0.164 18171
994 1 3 . 1 1 51 51 ASN H H 51 8.886 8.886 8.657 0.229 18171
995 1 3 . 1 1 52 52 LYS N N 52 120.120 120.120 122.159 -2.039 18171
996 1 3 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.101 0.009 18171
997 1 3 . 1 1 52 52 LYS C C 52 179.002 179.002 178.366 0.636 18171
998 1 3 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.001 -0.027 18171
999 1 3 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.526 -0.471 18171
1000 1 3 . 1 1 52 52 LYS H H 52 7.760 7.760 7.163 0.597 18171
1001 1 3 . 1 1 53 53 ILE N N 53 117.988 117.988 120.201 -2.213 18171
1002 1 3 . 1 1 53 53 ILE HA H 53 3.757 3.757 2.772 0.985 18171
1003 1 3 . 1 1 53 53 ILE C C 53 177.686 177.686 177.043 0.643 18171
1004 1 3 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.107 0.934 18171
1005 1 3 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.264 0.404 18171
1006 1 3 . 1 1 53 53 ILE H H 53 8.400 8.400 8.495 -0.095 18171
1007 1 3 . 1 1 54 54 SER N N 54 114.267 114.267 113.819 0.448 18171
1008 1 3 . 1 1 54 54 SER HA H 54 4.050 4.050 4.073 -0.023 18171
1009 1 3 . 1 1 54 54 SER C C 54 175.690 175.690 176.138 -0.448 18171
1010 1 3 . 1 1 54 54 SER CA C 54 61.417 61.417 60.772 0.645 18171
1011 1 3 . 1 1 54 54 SER CB C 54 62.922 62.922 63.153 -0.231 18171
1012 1 3 . 1 1 54 54 SER H H 54 8.042 8.042 7.486 0.556 18171
1013 1 3 . 1 1 55 55 GLN N N 55 118.045 118.045 119.793 -1.748 18171
1014 1 3 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.062 0.078 18171
1015 1 3 . 1 1 55 55 GLN C C 55 177.193 177.193 177.761 -0.568 18171
1016 1 3 . 1 1 55 55 GLN CA C 55 57.082 57.082 58.054 -0.972 18171
1017 1 3 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.072 -0.352 18171
1018 1 3 . 1 1 55 55 GLN H H 55 7.415 7.415 7.457 -0.042 18171
1019 1 3 . 1 1 56 56 LEU N N 56 118.492 118.492 117.276 1.216 18171
1020 1 3 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.330 -0.297 18171
1021 1 3 . 1 1 56 56 LEU C C 56 176.578 176.578 176.783 -0.205 18171
1022 1 3 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.211 -0.306 18171
1023 1 3 . 1 1 56 56 LEU CB C 56 42.549 42.549 43.754 -1.205 18171
1024 1 3 . 1 1 56 56 LEU H H 56 7.732 7.732 7.767 -0.035 18171
1025 1 3 . 1 1 57 57 PHE N N 57 116.774 116.774 113.624 3.150 18171
1026 1 3 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.857 0.035 18171
1027 1 3 . 1 1 57 57 PHE C C 57 173.125 173.125 173.180 -0.055 18171
1028 1 3 . 1 1 57 57 PHE CA C 57 55.211 55.211 54.309 0.902 18171
1029 1 3 . 1 1 57 57 PHE CB C 57 39.023 39.023 39.442 -0.419 18171
1030 1 3 . 1 1 57 57 PHE H H 57 7.629 7.629 7.429 0.200 18171
1031 1 3 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.621 -0.141 18171
1032 1 3 . 1 1 58 58 PRO C C 58 178.090 178.090 176.343 1.747 18171
1033 1 3 . 1 1 58 58 PRO CA C 58 63.972 63.972 62.716 1.256 18171
1034 1 3 . 1 1 58 58 PRO CB C 58 30.927 30.927 30.226 0.701 18171
1035 1 3 . 1 1 59 59 GLY N N 59 108.335 108.335 109.191 -0.856 18171
1036 1 3 . 1 1 59 59 GLY C C 59 174.930 174.930 173.644 1.286 18171
1037 1 3 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.845 -0.461 18171
1038 1 3 . 1 1 59 59 GLY H H 59 8.411 8.411 7.729 0.682 18171
1039 1 3 . 1 1 60 60 MET N N 60 119.206 119.206 118.536 0.670 18171
1040 1 3 . 1 1 60 60 MET HA H 60 4.467 4.467 4.690 -0.223 18171
1041 1 3 . 1 1 60 60 MET C C 60 176.320 176.320 177.115 -0.795 18171
1042 1 3 . 1 1 60 60 MET CA C 60 56.395 56.395 55.941 0.454 18171
1043 1 3 . 1 1 60 60 MET CB C 60 32.964 32.964 33.298 -0.334 18171
1044 1 3 . 1 1 60 60 MET H H 60 8.053 8.053 8.104 -0.051 18171
1045 1 3 . 1 1 61 61 THR N N 61 111.041 111.041 116.544 -5.503 18171
1046 1 3 . 1 1 61 61 THR HA H 61 4.402 4.402 4.214 0.188 18171
1047 1 3 . 1 1 61 61 THR C C 61 173.976 173.976 175.924 -1.948 18171
1048 1 3 . 1 1 61 61 THR CA C 61 61.233 61.233 63.065 -1.832 18171
1049 1 3 . 1 1 61 61 THR CB C 61 70.120 70.120 68.956 1.164 18171
1050 1 3 . 1 1 61 61 THR H H 61 7.880 7.880 8.467 -0.587 18171
1051 1 4 . 1 1 2 2 GLU N N 2 115.081 115.081 121.175 -6.094 18171
1052 1 4 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.000 -0.140 18171
1053 1 4 . 1 1 2 2 GLU C C 2 179.259 179.259 178.318 0.941 18171
1054 1 4 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.188 1.171 18171
1055 1 4 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.312 -0.586 18171
1056 1 4 . 1 1 2 2 GLU H H 2 8.756 8.756 8.956 -0.200 18171
1057 1 4 . 1 1 3 3 GLU N N 3 120.051 120.051 119.604 0.447 18171
1058 1 4 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.096 -0.080 18171
1059 1 4 . 1 1 3 3 GLU C C 3 178.863 178.863 178.810 0.053 18171
1060 1 4 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.491 -0.485 18171
1061 1 4 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.335 1.030 18171
1062 1 4 . 1 1 3 3 GLU H H 3 7.722 7.722 8.424 -0.702 18171
1063 1 4 . 1 1 4 4 VAL N N 4 120.223 120.223 119.899 0.324 18171
1064 1 4 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.762 -0.253 18171
1065 1 4 . 1 1 4 4 VAL C C 4 177.687 177.687 178.196 -0.509 18171
1066 1 4 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.727 0.940 18171
1067 1 4 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.788 -0.247 18171
1068 1 4 . 1 1 4 4 VAL H H 4 7.815 7.815 7.452 0.363 18171
1069 1 4 . 1 1 5 5 ILE N N 5 118.475 118.475 118.900 -0.425 18171
1070 1 4 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.468 0.032 18171
1071 1 4 . 1 1 5 5 ILE C C 5 177.638 177.638 177.855 -0.217 18171
1072 1 4 . 1 1 5 5 ILE CA C 5 64.361 64.361 65.033 -0.672 18171
1073 1 4 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.157 -0.021 18171
1074 1 4 . 1 1 5 5 ILE H H 5 8.293 8.293 8.009 0.284 18171
1075 1 4 . 1 1 6 6 SER N N 6 113.327 113.327 114.525 -1.198 18171
1076 1 4 . 1 1 6 6 SER HA H 6 4.034 4.034 4.174 -0.140 18171
1077 1 4 . 1 1 6 6 SER C C 6 176.398 176.398 176.628 -0.230 18171
1078 1 4 . 1 1 6 6 SER CA C 6 61.781 61.781 61.228 0.552 18171
1079 1 4 . 1 1 6 6 SER CB C 6 62.770 62.770 62.923 -0.153 18171
1080 1 4 . 1 1 6 6 SER H H 6 7.740 7.740 7.790 -0.050 18171
1081 1 4 . 1 1 7 7 LYS N N 7 119.755 119.755 122.415 -2.660 18171
1082 1 4 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.180 -0.037 18171
1083 1 4 . 1 1 7 7 LYS C C 7 179.622 179.622 178.818 0.804 18171
1084 1 4 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.733 -0.727 18171
1085 1 4 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.908 -0.166 18171
1086 1 4 . 1 1 7 7 LYS H H 7 7.523 7.523 8.114 -0.591 18171
1087 1 4 . 1 1 8 8 ILE N N 8 119.544 119.544 120.173 -0.629 18171
1088 1 4 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.853 -0.210 18171
1089 1 4 . 1 1 8 8 ILE C C 8 177.510 177.510 177.241 0.269 18171
1090 1 4 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.027 2.153 18171
1091 1 4 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.167 1.294 18171
1092 1 4 . 1 1 8 8 ILE H H 8 8.132 8.132 7.873 0.259 18171
1093 1 4 . 1 1 9 9 MET N N 9 114.616 114.616 116.895 -2.279 18171
1094 1 4 . 1 1 9 9 MET HA H 9 4.104 4.104 4.187 -0.083 18171
1095 1 4 . 1 1 9 9 MET C C 9 177.018 177.018 177.099 -0.081 18171
1096 1 4 . 1 1 9 9 MET CA C 9 56.601 56.601 57.800 -1.199 18171
1097 1 4 . 1 1 9 9 MET CB C 9 31.479 31.479 31.642 -0.163 18171
1098 1 4 . 1 1 9 9 MET H H 9 7.835 7.835 7.451 0.384 18171
1099 1 4 . 1 1 10 10 GLU N N 10 116.206 116.206 118.154 -1.948 18171
1100 1 4 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.104 0.048 18171
1101 1 4 . 1 1 10 10 GLU C C 10 176.263 176.263 176.981 -0.718 18171
1102 1 4 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.282 -0.200 18171
1103 1 4 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.829 0.181 18171
1104 1 4 . 1 1 10 10 GLU H H 10 7.318 7.318 7.875 -0.557 18171
1105 1 4 . 1 1 11 11 ASN N N 11 119.007 119.007 117.412 1.595 18171
1106 1 4 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.125 0.016 18171
1107 1 4 . 1 1 11 11 ASN C C 11 173.093 173.093 173.149 -0.056 18171
1108 1 4 . 1 1 11 11 ASN CA C 11 50.709 50.709 51.751 -1.042 18171
1109 1 4 . 1 1 11 11 ASN CB C 11 40.100 40.100 39.402 0.698 18171
1110 1 4 . 1 1 11 11 ASN H H 11 7.707 7.707 7.955 -0.248 18171
1111 1 4 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.125 0.158 18171
1112 1 4 . 1 1 12 12 PRO C C 12 177.932 177.932 177.860 0.072 18171
1113 1 4 . 1 1 12 12 PRO CA C 12 65.228 65.228 64.987 0.241 18171
1114 1 4 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.777 0.230 18171
1115 1 4 . 1 1 13 13 ASP N N 13 116.410 116.410 116.919 -0.509 18171
1116 1 4 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.442 -0.017 18171
1117 1 4 . 1 1 13 13 ASP C C 13 178.456 178.456 178.086 0.370 18171
1118 1 4 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.209 -0.400 18171
1119 1 4 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.921 -0.982 18171
1120 1 4 . 1 1 13 13 ASP H H 13 8.218 8.218 8.305 -0.087 18171
1121 1 4 . 1 1 14 14 VAL N N 14 120.053 120.053 120.115 -0.062 18171
1122 1 4 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.869 -0.087 18171
1123 1 4 . 1 1 14 14 VAL C C 14 177.045 177.045 177.932 -0.887 18171
1124 1 4 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.697 -1.347 18171
1125 1 4 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.249 0.512 18171
1126 1 4 . 1 1 14 14 VAL H H 14 7.722 7.722 8.227 -0.505 18171
1127 1 4 . 1 1 15 15 ALA N N 15 121.814 121.814 122.424 -0.610 18171
1128 1 4 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.738 0.184 18171
1129 1 4 . 1 1 15 15 ALA C C 15 180.315 180.315 179.075 1.240 18171
1130 1 4 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.038 0.616 18171
1131 1 4 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.198 -0.021 18171
1132 1 4 . 1 1 15 15 ALA H H 15 8.245 8.245 7.442 0.803 18171
1133 1 4 . 1 1 16 16 MET N N 16 114.438 114.438 117.376 -2.938 18171
1134 1 4 . 1 1 16 16 MET HA H 16 4.234 4.234 4.395 -0.161 18171
1135 1 4 . 1 1 16 16 MET C C 16 178.930 178.930 178.619 0.311 18171
1136 1 4 . 1 1 16 16 MET CA C 16 58.011 58.011 58.412 -0.401 18171
1137 1 4 . 1 1 16 16 MET CB C 16 32.027 32.027 33.126 -1.099 18171
1138 1 4 . 1 1 16 16 MET H H 16 7.878 7.878 7.844 0.034 18171
1139 1 4 . 1 1 17 17 ALA N N 17 123.280 123.280 123.549 -0.269 18171
1140 1 4 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.169 0.009 18171
1141 1 4 . 1 1 17 17 ALA C C 17 179.091 179.091 179.602 -0.511 18171
1142 1 4 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.971 -0.408 18171
1143 1 4 . 1 1 17 17 ALA CB C 17 18.391 18.391 17.998 0.393 18171
1144 1 4 . 1 1 17 17 ALA H H 17 7.647 7.647 8.186 -0.539 18171
1145 1 4 . 1 1 18 18 PHE N N 18 114.808 114.808 116.638 -1.830 18171
1146 1 4 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.251 -0.133 18171
1147 1 4 . 1 1 18 18 PHE C C 18 175.169 175.169 176.793 -1.624 18171
1148 1 4 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.433 -0.999 18171
1149 1 4 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.705 0.338 18171
1150 1 4 . 1 1 18 18 PHE H H 18 8.032 8.032 8.527 -0.495 18171
1151 1 4 . 1 1 19 19 GLN N N 19 114.221 114.221 117.133 -2.912 18171
1152 1 4 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.339 -0.272 18171
1153 1 4 . 1 1 19 19 GLN C C 19 175.843 175.843 175.742 0.101 18171
1154 1 4 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.687 0.460 18171
1155 1 4 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.479 0.141 18171
1156 1 4 . 1 1 19 19 GLN H H 19 7.414 7.414 7.652 -0.238 18171
1157 1 4 . 1 1 20 20 ASN N N 20 119.994 119.994 118.825 1.169 18171
1158 1 4 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.180 -0.297 18171
1159 1 4 . 1 1 20 20 ASN C C 20 174.726 174.726 174.117 0.609 18171
1160 1 4 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.479 0.122 18171
1161 1 4 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.762 -1.505 18171
1162 1 4 . 1 1 20 20 ASN H H 20 7.497 7.497 7.929 -0.432 18171
1163 1 4 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.461 -0.272 18171
1164 1 4 . 1 1 21 21 PRO C C 21 178.747 178.747 178.500 0.247 18171
1165 1 4 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.578 -0.532 18171
1166 1 4 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.221 -0.100 18171
1167 1 4 . 1 1 22 22 ARG N N 22 117.899 117.899 118.254 -0.355 18171
1168 1 4 . 1 1 22 22 ARG HA H 22 4.093 4.093 3.923 0.170 18171
1169 1 4 . 1 1 22 22 ARG C C 22 178.827 178.827 178.332 0.495 18171
1170 1 4 . 1 1 22 22 ARG CA C 22 58.986 58.986 59.391 -0.404 18171
1171 1 4 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.501 0.930 18171
1172 1 4 . 1 1 22 22 ARG H H 22 8.066 8.066 8.341 -0.275 18171
1173 1 4 . 1 1 23 23 VAL N N 23 119.694 119.694 119.197 0.497 18171
1174 1 4 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.632 -0.248 18171
1175 1 4 . 1 1 23 23 VAL C C 23 177.319 177.319 177.652 -0.333 18171
1176 1 4 . 1 1 23 23 VAL CA C 23 65.748 65.748 65.997 -0.249 18171
1177 1 4 . 1 1 23 23 VAL CB C 23 31.521 31.521 30.956 0.565 18171
1178 1 4 . 1 1 23 23 VAL H H 23 7.199 7.199 7.530 -0.331 18171
1179 1 4 . 1 1 24 24 GLN N N 24 117.842 117.842 119.853 -2.011 18171
1180 1 4 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.731 -0.098 18171
1181 1 4 . 1 1 24 24 GLN C C 24 177.902 177.902 178.150 -0.248 18171
1182 1 4 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.216 0.453 18171
1183 1 4 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.512 -0.492 18171
1184 1 4 . 1 1 24 24 GLN H H 24 7.790 7.790 8.375 -0.585 18171
1185 1 4 . 1 1 25 25 ALA N N 25 119.267 119.267 120.594 -1.327 18171
1186 1 4 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.001 0.045 18171
1187 1 4 . 1 1 25 25 ALA C C 25 179.854 179.854 178.734 1.120 18171
1188 1 4 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.637 0.409 18171
1189 1 4 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.176 -0.352 18171
1190 1 4 . 1 1 25 25 ALA H H 25 7.808 7.808 8.293 -0.485 18171
1191 1 4 . 1 1 26 26 ALA N N 26 120.738 120.738 122.147 -1.409 18171
1192 1 4 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.561 0.360 18171
1193 1 4 . 1 1 26 26 ALA C C 26 179.988 179.988 179.671 0.317 18171
1194 1 4 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.361 0.838 18171
1195 1 4 . 1 1 26 26 ALA CB C 26 18.171 18.171 17.656 0.515 18171
1196 1 4 . 1 1 26 26 ALA H H 26 7.500 7.500 7.345 0.155 18171
1197 1 4 . 1 1 27 27 LEU N N 27 118.511 118.511 119.088 -0.577 18171
1198 1 4 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.120 -0.207 18171
1199 1 4 . 1 1 27 27 LEU C C 27 179.923 179.923 178.955 0.968 18171
1200 1 4 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.727 0.332 18171
1201 1 4 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.889 -0.961 18171
1202 1 4 . 1 1 27 27 LEU H H 27 8.324 8.324 8.108 0.216 18171
1203 1 4 . 1 1 28 28 MET N N 28 118.681 118.681 118.797 -0.116 18171
1204 1 4 . 1 1 28 28 MET HA H 28 4.144 4.144 4.101 0.043 18171
1205 1 4 . 1 1 28 28 MET C C 28 179.635 179.635 178.028 1.607 18171
1206 1 4 . 1 1 28 28 MET CA C 28 58.734 58.734 57.812 0.922 18171
1207 1 4 . 1 1 28 28 MET CB C 28 31.901 31.901 32.447 -0.546 18171
1208 1 4 . 1 1 28 28 MET H H 28 8.127 8.127 8.362 -0.235 18171
1209 1 4 . 1 1 29 29 GLU N N 29 119.813 119.813 118.270 1.543 18171
1210 1 4 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.232 -0.006 18171
1211 1 4 . 1 1 29 29 GLU C C 29 180.544 180.544 179.130 1.414 18171
1212 1 4 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.635 1.061 18171
1213 1 4 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.636 0.041 18171
1214 1 4 . 1 1 29 29 GLU H H 29 8.302 8.302 8.103 0.199 18171
1215 1 4 . 1 1 30 30 CYS N N 30 118.465 118.465 119.440 -0.975 18171
1216 1 4 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.472 -0.019 18171
1217 1 4 . 1 1 30 30 CYS C C 30 175.357 175.357 175.840 -0.483 18171
1218 1 4 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.282 0.200 18171
1219 1 4 . 1 1 30 30 CYS CB C 30 26.790 26.790 28.050 -1.260 18171
1220 1 4 . 1 1 30 30 CYS H H 30 8.465 8.465 7.982 0.483 18171
1221 1 4 . 1 1 31 31 SER N N 31 114.366 114.366 113.768 0.598 18171
1222 1 4 . 1 1 31 31 SER HA H 31 4.174 4.174 4.184 -0.010 18171
1223 1 4 . 1 1 31 31 SER C C 31 175.371 175.371 175.865 -0.494 18171
1224 1 4 . 1 1 31 31 SER CA C 31 60.932 60.932 60.915 0.017 18171
1225 1 4 . 1 1 31 31 SER CB C 31 62.749 62.749 63.003 -0.254 18171
1226 1 4 . 1 1 31 31 SER H H 31 7.859 7.859 7.721 0.138 18171
1227 1 4 . 1 1 32 32 GLU N N 32 119.996 119.996 119.689 0.307 18171
1228 1 4 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.287 -0.083 18171
1229 1 4 . 1 1 32 32 GLU C C 32 176.983 176.983 176.463 0.520 18171
1230 1 4 . 1 1 32 32 GLU CA C 32 57.972 57.972 57.995 -0.023 18171
1231 1 4 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.474 -0.397 18171
1232 1 4 . 1 1 32 32 GLU H H 32 7.254 7.254 8.097 -0.843 18171
1233 1 4 . 1 1 33 33 ASN N N 33 113.026 113.026 112.691 0.335 18171
1234 1 4 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.897 0.076 18171
1235 1 4 . 1 1 33 33 ASN C C 33 173.504 173.504 173.055 0.449 18171
1236 1 4 . 1 1 33 33 ASN CA C 33 50.736 50.736 51.964 -1.228 18171
1237 1 4 . 1 1 33 33 ASN CB C 33 39.485 39.485 36.858 2.627 18171
1238 1 4 . 1 1 33 33 ASN H H 33 7.370 7.370 7.715 -0.345 18171
1239 1 4 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.402 0.172 18171
1240 1 4 . 1 1 34 34 PRO C C 34 178.270 178.270 177.229 1.041 18171
1241 1 4 . 1 1 34 34 PRO CA C 34 64.827 64.827 65.200 -0.373 18171
1242 1 4 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.847 -0.093 18171
1243 1 4 . 1 1 35 35 MET N N 35 115.258 115.258 113.933 1.325 18171
1244 1 4 . 1 1 35 35 MET HA H 35 4.330 4.330 4.248 0.082 18171
1245 1 4 . 1 1 35 35 MET C C 35 178.569 178.569 177.002 1.567 18171
1246 1 4 . 1 1 35 35 MET CA C 35 57.050 57.050 56.770 0.280 18171
1247 1 4 . 1 1 35 35 MET CB C 35 31.300 31.300 31.236 0.064 18171
1248 1 4 . 1 1 35 35 MET H H 35 7.962 7.962 8.033 -0.071 18171
1249 1 4 . 1 1 36 36 ASN N N 36 117.357 117.357 117.319 0.038 18171
1250 1 4 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.383 0.190 18171
1251 1 4 . 1 1 36 36 ASN C C 36 176.470 176.470 177.081 -0.611 18171
1252 1 4 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.920 -0.794 18171
1253 1 4 . 1 1 36 36 ASN CB C 36 38.442 38.442 38.325 0.117 18171
1254 1 4 . 1 1 36 36 ASN H H 36 8.462 8.462 8.306 0.156 18171
1255 1 4 . 1 1 37 37 ILE N N 37 121.622 121.622 121.704 -0.082 18171
1256 1 4 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.959 0.151 18171
1257 1 4 . 1 1 37 37 ILE C C 37 177.331 177.331 176.283 1.048 18171
1258 1 4 . 1 1 37 37 ILE CA C 37 62.588 62.588 62.387 0.201 18171
1259 1 4 . 1 1 37 37 ILE CB C 37 38.015 38.015 38.187 -0.172 18171
1260 1 4 . 1 1 37 37 ILE H H 37 7.820 7.820 7.485 0.335 18171
1261 1 4 . 1 1 38 38 MET N N 38 118.071 118.071 117.132 0.939 18171
1262 1 4 . 1 1 38 38 MET HA H 38 4.174 4.174 4.262 -0.088 18171
1263 1 4 . 1 1 38 38 MET C C 38 178.456 178.456 176.293 2.163 18171
1264 1 4 . 1 1 38 38 MET CA C 38 57.563 57.563 55.766 1.797 18171
1265 1 4 . 1 1 38 38 MET CB C 38 31.533 31.533 30.313 1.220 18171
1266 1 4 . 1 1 38 38 MET H H 38 7.479 7.479 7.666 -0.187 18171
1267 1 4 . 1 1 39 39 LYS N N 39 117.427 117.427 117.573 -0.146 18171
1268 1 4 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.267 -0.320 18171
1269 1 4 . 1 1 39 39 LYS C C 39 177.456 177.456 177.439 0.017 18171
1270 1 4 . 1 1 39 39 LYS CA C 39 58.012 58.012 56.824 1.188 18171
1271 1 4 . 1 1 39 39 LYS CB C 39 31.773 31.773 34.491 -2.718 18171
1272 1 4 . 1 1 39 39 LYS H H 39 7.580 7.580 7.481 0.099 18171
1273 1 4 . 1 1 40 40 TYR N N 40 116.049 116.049 119.268 -3.219 18171
1274 1 4 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.721 -0.191 18171
1275 1 4 . 1 1 40 40 TYR C C 40 175.635 175.635 178.083 -2.448 18171
1276 1 4 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.302 0.096 18171
1277 1 4 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.983 2.507 18171
1278 1 4 . 1 1 40 40 TYR H H 40 7.651 7.651 7.311 0.340 18171
1279 1 4 . 1 1 41 41 GLN N N 41 116.626 116.626 119.900 -3.274 18171
1280 1 4 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.966 0.367 18171
1281 1 4 . 1 1 41 41 GLN C C 41 175.887 175.887 176.600 -0.713 18171
1282 1 4 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.512 0.074 18171
1283 1 4 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.265 1.782 18171
1284 1 4 . 1 1 41 41 GLN H H 41 7.001 7.001 7.798 -0.797 18171
1285 1 4 . 1 1 42 42 ASN N N 42 114.491 114.491 113.965 0.526 18171
1286 1 4 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.570 0.292 18171
1287 1 4 . 1 1 42 42 ASN C C 42 173.784 173.784 175.361 -1.577 18171
1288 1 4 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.251 -0.719 18171
1289 1 4 . 1 1 42 42 ASN CB C 42 38.588 38.588 38.640 -0.052 18171
1290 1 4 . 1 1 42 42 ASN H H 42 8.281 8.281 7.631 0.650 18171
1291 1 4 . 1 1 43 43 ASP N N 43 122.981 122.981 122.582 0.399 18171
1292 1 4 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.708 0.047 18171
1293 1 4 . 1 1 43 43 ASP C C 43 174.773 174.773 176.117 -1.344 18171
1294 1 4 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.227 -0.620 18171
1295 1 4 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.844 0.525 18171
1296 1 4 . 1 1 43 43 ASP H H 43 7.960 7.960 8.227 -0.267 18171
1297 1 4 . 1 1 44 44 LYS N N 44 125.893 125.893 127.420 -1.527 18171
1298 1 4 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.892 -0.032 18171
1299 1 4 . 1 1 44 44 LYS C C 44 177.796 177.796 178.185 -0.389 18171
1300 1 4 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.427 0.369 18171
1301 1 4 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.532 0.004 18171
1302 1 4 . 1 1 44 44 LYS H H 44 8.361 8.361 8.009 0.352 18171
1303 1 4 . 1 1 45 45 GLU N N 45 116.698 116.698 118.320 -1.622 18171
1304 1 4 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.128 -0.061 18171
1305 1 4 . 1 1 45 45 GLU C C 45 178.724 178.724 178.769 -0.045 18171
1306 1 4 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.344 0.111 18171
1307 1 4 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.343 0.414 18171
1308 1 4 . 1 1 45 45 GLU H H 45 8.127 8.127 7.951 0.176 18171
1309 1 4 . 1 1 46 46 VAL N N 46 117.476 117.476 119.487 -2.011 18171
1310 1 4 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.656 -0.242 18171
1311 1 4 . 1 1 46 46 VAL C C 46 177.879 177.879 178.158 -0.279 18171
1312 1 4 . 1 1 46 46 VAL CA C 46 66.430 66.430 65.798 0.632 18171
1313 1 4 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.072 0.956 18171
1314 1 4 . 1 1 46 46 VAL H H 46 7.452 7.452 7.547 -0.095 18171
1315 1 4 . 1 1 47 47 MET N N 47 117.027 117.027 119.965 -2.938 18171
1316 1 4 . 1 1 47 47 MET HA H 47 4.479 4.479 4.035 0.444 18171
1317 1 4 . 1 1 47 47 MET C C 47 179.307 179.307 178.409 0.898 18171
1318 1 4 . 1 1 47 47 MET CA C 47 56.809 56.809 60.161 -3.352 18171
1319 1 4 . 1 1 47 47 MET CB C 47 30.371 30.371 32.135 -1.764 18171
1320 1 4 . 1 1 47 47 MET H H 47 8.542 8.542 8.099 0.443 18171
1321 1 4 . 1 1 48 48 ASP N N 48 119.811 119.811 119.323 0.488 18171
1322 1 4 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.426 0.066 18171
1323 1 4 . 1 1 48 48 ASP C C 48 179.136 179.136 179.072 0.064 18171
1324 1 4 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.828 -0.257 18171
1325 1 4 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.976 -0.523 18171
1326 1 4 . 1 1 48 48 ASP H H 48 8.580 8.580 7.837 0.743 18171
1327 1 4 . 1 1 49 49 VAL N N 49 118.816 118.816 119.851 -1.035 18171
1328 1 4 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.719 -0.081 18171
1329 1 4 . 1 1 49 49 VAL C C 49 177.777 177.777 177.802 -0.025 18171
1330 1 4 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.710 -0.253 18171
1331 1 4 . 1 1 49 49 VAL CB C 49 31.066 31.066 32.143 -1.077 18171
1332 1 4 . 1 1 49 49 VAL H H 49 7.319 7.319 7.553 -0.234 18171
1333 1 4 . 1 1 50 50 PHE N N 50 120.305 120.305 118.683 1.622 18171
1334 1 4 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.192 -0.056 18171
1335 1 4 . 1 1 50 50 PHE C C 50 178.505 178.505 177.935 0.570 18171
1336 1 4 . 1 1 50 50 PHE CA C 50 61.540 61.540 61.475 0.065 18171
1337 1 4 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.623 -0.314 18171
1338 1 4 . 1 1 50 50 PHE H H 50 8.529 8.529 9.090 -0.561 18171
1339 1 4 . 1 1 51 51 ASN N N 51 117.888 117.888 117.515 0.373 18171
1340 1 4 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.570 -0.155 18171
1341 1 4 . 1 1 51 51 ASN C C 51 177.863 177.863 177.303 0.560 18171
1342 1 4 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.945 0.223 18171
1343 1 4 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.695 -0.386 18171
1344 1 4 . 1 1 51 51 ASN H H 51 8.886 8.886 8.676 0.210 18171
1345 1 4 . 1 1 52 52 LYS N N 52 120.120 120.120 121.392 -1.272 18171
1346 1 4 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.232 -0.122 18171
1347 1 4 . 1 1 52 52 LYS C C 52 179.002 179.002 178.939 0.063 18171
1348 1 4 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.194 -0.220 18171
1349 1 4 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.503 -0.448 18171
1350 1 4 . 1 1 52 52 LYS H H 52 7.760 7.760 7.478 0.282 18171
1351 1 4 . 1 1 53 53 ILE N N 53 117.988 117.988 119.556 -1.568 18171
1352 1 4 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.449 0.308 18171
1353 1 4 . 1 1 53 53 ILE C C 53 177.686 177.686 176.671 1.015 18171
1354 1 4 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.155 0.886 18171
1355 1 4 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.430 0.237 18171
1356 1 4 . 1 1 53 53 ILE H H 53 8.400 8.400 8.490 -0.090 18171
1357 1 4 . 1 1 54 54 SER N N 54 114.267 114.267 112.117 2.150 18171
1358 1 4 . 1 1 54 54 SER HA H 54 4.050 4.050 4.248 -0.199 18171
1359 1 4 . 1 1 54 54 SER C C 54 175.690 175.690 175.788 -0.098 18171
1360 1 4 . 1 1 54 54 SER CA C 54 61.417 61.417 60.657 0.760 18171
1361 1 4 . 1 1 54 54 SER CB C 54 62.922 62.922 63.896 -0.974 18171
1362 1 4 . 1 1 54 54 SER H H 54 8.042 8.042 7.654 0.388 18171
1363 1 4 . 1 1 55 55 GLN N N 55 118.045 118.045 119.239 -1.194 18171
1364 1 4 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.294 -0.154 18171
1365 1 4 . 1 1 55 55 GLN C C 55 177.193 177.193 178.102 -0.909 18171
1366 1 4 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.429 -0.347 18171
1367 1 4 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.344 -0.624 18171
1368 1 4 . 1 1 55 55 GLN H H 55 7.415 7.415 7.583 -0.168 18171
1369 1 4 . 1 1 56 56 LEU N N 56 118.492 118.492 119.766 -1.274 18171
1370 1 4 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.242 -0.209 18171
1371 1 4 . 1 1 56 56 LEU C C 56 176.578 176.578 176.008 0.570 18171
1372 1 4 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.025 -0.120 18171
1373 1 4 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.164 0.385 18171
1374 1 4 . 1 1 56 56 LEU H H 56 7.732 7.732 8.146 -0.414 18171
1375 1 4 . 1 1 57 57 PHE N N 57 116.774 116.774 117.124 -0.350 18171
1376 1 4 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.905 -0.013 18171
1377 1 4 . 1 1 57 57 PHE C C 57 173.125 173.125 173.827 -0.702 18171
1378 1 4 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.797 1.415 18171
1379 1 4 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.585 0.438 18171
1380 1 4 . 1 1 57 57 PHE H H 57 7.629 7.629 7.697 -0.068 18171
1381 1 4 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.603 -0.123 18171
1382 1 4 . 1 1 58 58 PRO C C 58 178.090 178.090 177.888 0.202 18171
1383 1 4 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.811 0.161 18171
1384 1 4 . 1 1 58 58 PRO CB C 58 30.927 30.927 32.065 -1.138 18171
1385 1 4 . 1 1 59 59 GLY N N 59 108.335 108.335 110.909 -2.574 18171
1386 1 4 . 1 1 59 59 GLY C C 59 174.930 174.930 174.899 0.031 18171
1387 1 4 . 1 1 59 59 GLY CA C 59 45.384 45.384 44.808 0.576 18171
1388 1 4 . 1 1 59 59 GLY H H 59 8.411 8.411 8.406 0.005 18171
1389 1 4 . 1 1 60 60 MET N N 60 119.206 119.206 117.137 2.069 18171
1390 1 4 . 1 1 60 60 MET HA H 60 4.467 4.467 4.156 0.311 18171
1391 1 4 . 1 1 60 60 MET C C 60 176.320 176.320 176.961 -0.641 18171
1392 1 4 . 1 1 60 60 MET CA C 60 56.395 56.395 55.622 0.773 18171
1393 1 4 . 1 1 60 60 MET CB C 60 32.964 32.964 31.584 1.380 18171
1394 1 4 . 1 1 60 60 MET H H 60 8.053 8.053 7.729 0.324 18171
1395 1 4 . 1 1 61 61 THR N N 61 111.041 111.041 116.308 -5.267 18171
1396 1 4 . 1 1 61 61 THR HA H 61 4.402 4.402 4.175 0.227 18171
1397 1 4 . 1 1 61 61 THR C C 61 173.976 173.976 175.360 -1.384 18171
1398 1 4 . 1 1 61 61 THR CA C 61 61.233 61.233 63.568 -2.335 18171
1399 1 4 . 1 1 61 61 THR CB C 61 70.120 70.120 69.091 1.029 18171
1400 1 4 . 1 1 61 61 THR H H 61 7.880 7.880 8.141 -0.261 18171
1401 1 5 . 1 1 2 2 GLU N N 2 115.081 115.081 121.624 -6.543 18171
1402 1 5 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.045 -0.185 18171
1403 1 5 . 1 1 2 2 GLU C C 2 179.259 179.259 178.697 0.562 18171
1404 1 5 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.563 0.797 18171
1405 1 5 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.721 -0.995 18171
1406 1 5 . 1 1 2 2 GLU H H 2 8.756 8.756 8.754 0.002 18171
1407 1 5 . 1 1 3 3 GLU N N 3 120.051 120.051 119.798 0.253 18171
1408 1 5 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.059 -0.043 18171
1409 1 5 . 1 1 3 3 GLU C C 3 178.863 178.863 178.757 0.106 18171
1410 1 5 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.639 -0.633 18171
1411 1 5 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.461 0.904 18171
1412 1 5 . 1 1 3 3 GLU H H 3 7.722 7.722 8.540 -0.818 18171
1413 1 5 . 1 1 4 4 VAL N N 4 120.223 120.223 118.457 1.766 18171
1414 1 5 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.732 -0.223 18171
1415 1 5 . 1 1 4 4 VAL C C 4 177.687 177.687 178.056 -0.369 18171
1416 1 5 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.752 0.915 18171
1417 1 5 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.417 0.124 18171
1418 1 5 . 1 1 4 4 VAL H H 4 7.815 7.815 7.904 -0.089 18171
1419 1 5 . 1 1 5 5 ILE N N 5 118.475 118.475 119.604 -1.129 18171
1420 1 5 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.667 -0.167 18171
1421 1 5 . 1 1 5 5 ILE C C 5 177.638 177.638 178.304 -0.666 18171
1422 1 5 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.446 -0.085 18171
1423 1 5 . 1 1 5 5 ILE CB C 5 37.136 37.136 36.537 0.599 18171
1424 1 5 . 1 1 5 5 ILE H H 5 8.293 8.293 8.676 -0.383 18171
1425 1 5 . 1 1 6 6 SER N N 6 113.327 113.327 114.647 -1.320 18171
1426 1 5 . 1 1 6 6 SER HA H 6 4.034 4.034 4.282 -0.248 18171
1427 1 5 . 1 1 6 6 SER C C 6 176.398 176.398 176.401 -0.003 18171
1428 1 5 . 1 1 6 6 SER CA C 6 61.781 61.781 60.841 0.940 18171
1429 1 5 . 1 1 6 6 SER CB C 6 62.770 62.770 62.883 -0.113 18171
1430 1 5 . 1 1 6 6 SER H H 6 7.740 7.740 7.878 -0.138 18171
1431 1 5 . 1 1 7 7 LYS N N 7 119.755 119.755 122.573 -2.818 18171
1432 1 5 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.153 -0.010 18171
1433 1 5 . 1 1 7 7 LYS C C 7 179.622 179.622 178.721 0.901 18171
1434 1 5 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.216 -0.210 18171
1435 1 5 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.877 -0.135 18171
1436 1 5 . 1 1 7 7 LYS H H 7 7.523 7.523 7.878 -0.355 18171
1437 1 5 . 1 1 8 8 ILE N N 8 119.544 119.544 120.229 -0.685 18171
1438 1 5 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.705 -0.062 18171
1439 1 5 . 1 1 8 8 ILE C C 8 177.510 177.510 177.340 0.170 18171
1440 1 5 . 1 1 8 8 ILE CA C 8 65.180 65.180 62.849 2.331 18171
1441 1 5 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.381 1.080 18171
1442 1 5 . 1 1 8 8 ILE H H 8 8.132 8.132 7.699 0.433 18171
1443 1 5 . 1 1 9 9 MET N N 9 114.616 114.616 116.744 -2.128 18171
1444 1 5 . 1 1 9 9 MET HA H 9 4.104 4.104 4.053 0.051 18171
1445 1 5 . 1 1 9 9 MET C C 9 177.018 177.018 176.911 0.107 18171
1446 1 5 . 1 1 9 9 MET CA C 9 56.601 56.601 57.589 -0.988 18171
1447 1 5 . 1 1 9 9 MET CB C 9 31.479 31.479 31.677 -0.198 18171
1448 1 5 . 1 1 9 9 MET H H 9 7.835 7.835 7.409 0.426 18171
1449 1 5 . 1 1 10 10 GLU N N 10 116.206 116.206 117.094 -0.888 18171
1450 1 5 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.069 0.083 18171
1451 1 5 . 1 1 10 10 GLU C C 10 176.263 176.263 177.123 -0.860 18171
1452 1 5 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.471 -0.388 18171
1453 1 5 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.872 0.138 18171
1454 1 5 . 1 1 10 10 GLU H H 10 7.318 7.318 7.674 -0.356 18171
1455 1 5 . 1 1 11 11 ASN N N 11 119.007 119.007 117.974 1.033 18171
1456 1 5 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.125 0.016 18171
1457 1 5 . 1 1 11 11 ASN C C 11 173.093 173.093 173.291 -0.198 18171
1458 1 5 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.643 0.066 18171
1459 1 5 . 1 1 11 11 ASN CB C 11 40.100 40.100 39.288 0.812 18171
1460 1 5 . 1 1 11 11 ASN H H 11 7.707 7.707 7.871 -0.164 18171
1461 1 5 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.068 0.215 18171
1462 1 5 . 1 1 12 12 PRO C C 12 177.932 177.932 177.846 0.086 18171
1463 1 5 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.165 0.063 18171
1464 1 5 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.822 0.186 18171
1465 1 5 . 1 1 13 13 ASP N N 13 116.410 116.410 118.144 -1.734 18171
1466 1 5 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.407 0.018 18171
1467 1 5 . 1 1 13 13 ASP C C 13 178.456 178.456 178.215 0.241 18171
1468 1 5 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.292 -0.483 18171
1469 1 5 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.930 -0.991 18171
1470 1 5 . 1 1 13 13 ASP H H 13 8.218 8.218 8.190 0.028 18171
1471 1 5 . 1 1 14 14 VAL N N 14 120.053 120.053 120.316 -0.263 18171
1472 1 5 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.801 -0.019 18171
1473 1 5 . 1 1 14 14 VAL C C 14 177.045 177.045 177.533 -0.488 18171
1474 1 5 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.859 -1.509 18171
1475 1 5 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.471 0.290 18171
1476 1 5 . 1 1 14 14 VAL H H 14 7.722 7.722 8.158 -0.436 18171
1477 1 5 . 1 1 15 15 ALA N N 15 121.814 121.814 122.392 -0.578 18171
1478 1 5 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.782 0.140 18171
1479 1 5 . 1 1 15 15 ALA C C 15 180.315 180.315 179.271 1.044 18171
1480 1 5 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.132 0.522 18171
1481 1 5 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.165 0.012 18171
1482 1 5 . 1 1 15 15 ALA H H 15 8.245 8.245 7.544 0.701 18171
1483 1 5 . 1 1 16 16 MET N N 16 114.438 114.438 117.191 -2.753 18171
1484 1 5 . 1 1 16 16 MET HA H 16 4.234 4.234 4.289 -0.055 18171
1485 1 5 . 1 1 16 16 MET C C 16 178.930 178.930 178.581 0.349 18171
1486 1 5 . 1 1 16 16 MET CA C 16 58.011 58.011 58.171 -0.160 18171
1487 1 5 . 1 1 16 16 MET CB C 16 32.027 32.027 32.885 -0.858 18171
1488 1 5 . 1 1 16 16 MET H H 16 7.878 7.878 7.809 0.069 18171
1489 1 5 . 1 1 17 17 ALA N N 17 123.280 123.280 123.538 -0.258 18171
1490 1 5 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.186 -0.008 18171
1491 1 5 . 1 1 17 17 ALA C C 17 179.091 179.091 179.675 -0.584 18171
1492 1 5 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.945 -0.382 18171
1493 1 5 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.084 0.307 18171
1494 1 5 . 1 1 17 17 ALA H H 17 7.647 7.647 7.971 -0.324 18171
1495 1 5 . 1 1 18 18 PHE N N 18 114.808 114.808 116.335 -1.527 18171
1496 1 5 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.255 -0.137 18171
1497 1 5 . 1 1 18 18 PHE C C 18 175.169 175.169 176.363 -1.194 18171
1498 1 5 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.558 -1.124 18171
1499 1 5 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.741 0.302 18171
1500 1 5 . 1 1 18 18 PHE H H 18 8.032 8.032 8.646 -0.614 18171
1501 1 5 . 1 1 19 19 GLN N N 19 114.221 114.221 116.966 -2.745 18171
1502 1 5 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.333 -0.266 18171
1503 1 5 . 1 1 19 19 GLN C C 19 175.843 175.843 175.422 0.421 18171
1504 1 5 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.480 0.667 18171
1505 1 5 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.785 -0.165 18171
1506 1 5 . 1 1 19 19 GLN H H 19 7.414 7.414 7.539 -0.125 18171
1507 1 5 . 1 1 20 20 ASN N N 20 119.994 119.994 119.512 0.482 18171
1508 1 5 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.209 -0.326 18171
1509 1 5 . 1 1 20 20 ASN C C 20 174.726 174.726 174.022 0.704 18171
1510 1 5 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.023 0.578 18171
1511 1 5 . 1 1 20 20 ASN CB C 20 39.257 39.257 39.130 0.127 18171
1512 1 5 . 1 1 20 20 ASN H H 20 7.497 7.497 7.861 -0.364 18171
1513 1 5 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.324 -0.135 18171
1514 1 5 . 1 1 21 21 PRO C C 21 178.747 178.747 178.544 0.203 18171
1515 1 5 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.624 -0.577 18171
1516 1 5 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.305 -0.184 18171
1517 1 5 . 1 1 22 22 ARG N N 22 117.899 117.899 118.169 -0.270 18171
1518 1 5 . 1 1 22 22 ARG HA H 22 4.093 4.093 3.945 0.148 18171
1519 1 5 . 1 1 22 22 ARG C C 22 178.827 178.827 178.519 0.308 18171
1520 1 5 . 1 1 22 22 ARG CA C 22 58.986 58.986 59.467 -0.481 18171
1521 1 5 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.575 0.856 18171
1522 1 5 . 1 1 22 22 ARG H H 22 8.066 8.066 8.366 -0.300 18171
1523 1 5 . 1 1 23 23 VAL N N 23 119.694 119.694 119.531 0.163 18171
1524 1 5 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.703 -0.319 18171
1525 1 5 . 1 1 23 23 VAL C C 23 177.319 177.319 177.775 -0.456 18171
1526 1 5 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.140 -0.392 18171
1527 1 5 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.162 0.359 18171
1528 1 5 . 1 1 23 23 VAL H H 23 7.199 7.199 7.523 -0.324 18171
1529 1 5 . 1 1 24 24 GLN N N 24 117.842 117.842 119.596 -1.754 18171
1530 1 5 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.748 -0.115 18171
1531 1 5 . 1 1 24 24 GLN C C 24 177.902 177.902 178.241 -0.339 18171
1532 1 5 . 1 1 24 24 GLN CA C 24 59.669 59.669 58.974 0.695 18171
1533 1 5 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.297 -0.276 18171
1534 1 5 . 1 1 24 24 GLN H H 24 7.790 7.790 8.337 -0.547 18171
1535 1 5 . 1 1 25 25 ALA N N 25 119.267 119.267 120.956 -1.689 18171
1536 1 5 . 1 1 25 25 ALA HA H 25 4.046 4.046 3.990 0.056 18171
1537 1 5 . 1 1 25 25 ALA C C 25 179.854 179.854 178.727 1.127 18171
1538 1 5 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.842 0.204 18171
1539 1 5 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.262 -0.438 18171
1540 1 5 . 1 1 25 25 ALA H H 25 7.808 7.808 8.315 -0.507 18171
1541 1 5 . 1 1 26 26 ALA N N 26 120.738 120.738 122.204 -1.466 18171
1542 1 5 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.762 0.159 18171
1543 1 5 . 1 1 26 26 ALA C C 26 179.988 179.988 179.891 0.097 18171
1544 1 5 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.610 0.589 18171
1545 1 5 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.028 0.143 18171
1546 1 5 . 1 1 26 26 ALA H H 26 7.500 7.500 7.369 0.131 18171
1547 1 5 . 1 1 27 27 LEU N N 27 118.511 118.511 119.597 -1.086 18171
1548 1 5 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.125 -0.212 18171
1549 1 5 . 1 1 27 27 LEU C C 27 179.923 179.923 178.808 1.115 18171
1550 1 5 . 1 1 27 27 LEU CA C 27 58.059 58.059 58.127 -0.068 18171
1551 1 5 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.666 -0.738 18171
1552 1 5 . 1 1 27 27 LEU H H 27 8.324 8.324 8.429 -0.105 18171
1553 1 5 . 1 1 28 28 MET N N 28 118.681 118.681 118.833 -0.152 18171
1554 1 5 . 1 1 28 28 MET HA H 28 4.144 4.144 3.976 0.168 18171
1555 1 5 . 1 1 28 28 MET C C 28 179.635 179.635 178.365 1.270 18171
1556 1 5 . 1 1 28 28 MET CA C 28 58.734 58.734 59.191 -0.456 18171
1557 1 5 . 1 1 28 28 MET CB C 28 31.901 31.901 32.581 -0.680 18171
1558 1 5 . 1 1 28 28 MET H H 28 8.127 8.127 8.241 -0.114 18171
1559 1 5 . 1 1 29 29 GLU N N 29 119.813 119.813 118.230 1.583 18171
1560 1 5 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.217 0.009 18171
1561 1 5 . 1 1 29 29 GLU C C 29 180.544 180.544 179.239 1.305 18171
1562 1 5 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.747 0.949 18171
1563 1 5 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.590 0.087 18171
1564 1 5 . 1 1 29 29 GLU H H 29 8.302 8.302 8.321 -0.019 18171
1565 1 5 . 1 1 30 30 CYS N N 30 118.465 118.465 119.701 -1.236 18171
1566 1 5 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.523 -0.070 18171
1567 1 5 . 1 1 30 30 CYS C C 30 175.357 175.357 176.122 -0.765 18171
1568 1 5 . 1 1 30 30 CYS CA C 30 62.482 62.482 61.966 0.516 18171
1569 1 5 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.117 -0.327 18171
1570 1 5 . 1 1 30 30 CYS H H 30 8.465 8.465 8.204 0.261 18171
1571 1 5 . 1 1 31 31 SER N N 31 114.366 114.366 114.167 0.199 18171
1572 1 5 . 1 1 31 31 SER HA H 31 4.174 4.174 4.250 -0.076 18171
1573 1 5 . 1 1 31 31 SER C C 31 175.371 175.371 176.272 -0.901 18171
1574 1 5 . 1 1 31 31 SER CA C 31 60.932 60.932 61.486 -0.554 18171
1575 1 5 . 1 1 31 31 SER CB C 31 62.749 62.749 63.039 -0.290 18171
1576 1 5 . 1 1 31 31 SER H H 31 7.859 7.859 7.828 0.031 18171
1577 1 5 . 1 1 32 32 GLU N N 32 119.996 119.996 119.773 0.223 18171
1578 1 5 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.282 -0.078 18171
1579 1 5 . 1 1 32 32 GLU C C 32 176.983 176.983 176.670 0.313 18171
1580 1 5 . 1 1 32 32 GLU CA C 32 57.972 57.972 57.823 0.149 18171
1581 1 5 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.528 -0.451 18171
1582 1 5 . 1 1 32 32 GLU H H 32 7.254 7.254 7.942 -0.688 18171
1583 1 5 . 1 1 33 33 ASN N N 33 113.026 113.026 113.494 -0.468 18171
1584 1 5 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.961 0.012 18171
1585 1 5 . 1 1 33 33 ASN C C 33 173.504 173.504 173.226 0.278 18171
1586 1 5 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.534 -1.798 18171
1587 1 5 . 1 1 33 33 ASN CB C 33 39.485 39.485 38.910 0.575 18171
1588 1 5 . 1 1 33 33 ASN H H 33 7.370 7.370 7.628 -0.258 18171
1589 1 5 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.394 0.180 18171
1590 1 5 . 1 1 34 34 PRO C C 34 178.270 178.270 177.550 0.720 18171
1591 1 5 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.925 -0.098 18171
1592 1 5 . 1 1 34 34 PRO CB C 34 31.754 31.754 32.075 -0.321 18171
1593 1 5 . 1 1 35 35 MET N N 35 115.258 115.258 113.840 1.418 18171
1594 1 5 . 1 1 35 35 MET HA H 35 4.330 4.330 4.189 0.141 18171
1595 1 5 . 1 1 35 35 MET C C 35 178.569 178.569 176.647 1.922 18171
1596 1 5 . 1 1 35 35 MET CA C 35 57.050 57.050 57.768 -0.718 18171
1597 1 5 . 1 1 35 35 MET CB C 35 31.300 31.300 31.314 -0.014 18171
1598 1 5 . 1 1 35 35 MET H H 35 7.962 7.962 8.101 -0.139 18171
1599 1 5 . 1 1 36 36 ASN N N 36 117.357 117.357 116.945 0.412 18171
1600 1 5 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.428 0.145 18171
1601 1 5 . 1 1 36 36 ASN C C 36 176.470 176.470 177.006 -0.536 18171
1602 1 5 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.690 -0.564 18171
1603 1 5 . 1 1 36 36 ASN CB C 36 38.442 38.442 38.268 0.174 18171
1604 1 5 . 1 1 36 36 ASN H H 36 8.462 8.462 8.048 0.414 18171
1605 1 5 . 1 1 37 37 ILE N N 37 121.622 121.622 121.116 0.506 18171
1606 1 5 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.805 0.305 18171
1607 1 5 . 1 1 37 37 ILE C C 37 177.331 177.331 176.467 0.864 18171
1608 1 5 . 1 1 37 37 ILE CA C 37 62.588 62.588 61.649 0.939 18171
1609 1 5 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.805 0.210 18171
1610 1 5 . 1 1 37 37 ILE H H 37 7.820 7.820 7.276 0.544 18171
1611 1 5 . 1 1 38 38 MET N N 38 118.071 118.071 116.961 1.110 18171
1612 1 5 . 1 1 38 38 MET HA H 38 4.174 4.174 4.467 -0.293 18171
1613 1 5 . 1 1 38 38 MET C C 38 178.456 178.456 175.470 2.986 18171
1614 1 5 . 1 1 38 38 MET CA C 38 57.563 57.563 55.593 1.970 18171
1615 1 5 . 1 1 38 38 MET CB C 38 31.533 31.533 30.301 1.232 18171
1616 1 5 . 1 1 38 38 MET H H 38 7.479 7.479 7.630 -0.151 18171
1617 1 5 . 1 1 39 39 LYS N N 39 117.427 117.427 116.280 1.147 18171
1618 1 5 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.226 -0.279 18171
1619 1 5 . 1 1 39 39 LYS C C 39 177.456 177.456 177.504 -0.048 18171
1620 1 5 . 1 1 39 39 LYS CA C 39 58.012 58.012 56.337 1.675 18171
1621 1 5 . 1 1 39 39 LYS CB C 39 31.773 31.773 32.902 -1.129 18171
1622 1 5 . 1 1 39 39 LYS H H 39 7.580 7.580 7.119 0.461 18171
1623 1 5 . 1 1 40 40 TYR N N 40 116.049 116.049 120.874 -4.825 18171
1624 1 5 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.757 -0.227 18171
1625 1 5 . 1 1 40 40 TYR C C 40 175.635 175.635 178.138 -2.503 18171
1626 1 5 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.473 -0.075 18171
1627 1 5 . 1 1 40 40 TYR CB C 40 39.490 39.490 37.011 2.479 18171
1628 1 5 . 1 1 40 40 TYR H H 40 7.651 7.651 7.257 0.394 18171
1629 1 5 . 1 1 41 41 GLN N N 41 116.626 116.626 118.606 -1.980 18171
1630 1 5 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.978 0.355 18171
1631 1 5 . 1 1 41 41 GLN C C 41 175.887 175.887 176.550 -0.663 18171
1632 1 5 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.711 -0.125 18171
1633 1 5 . 1 1 41 41 GLN CB C 41 29.047 29.047 28.316 0.731 18171
1634 1 5 . 1 1 41 41 GLN H H 41 7.001 7.001 7.711 -0.710 18171
1635 1 5 . 1 1 42 42 ASN N N 42 114.491 114.491 113.241 1.250 18171
1636 1 5 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.630 0.232 18171
1637 1 5 . 1 1 42 42 ASN C C 42 173.784 173.784 175.370 -1.586 18171
1638 1 5 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.061 -0.529 18171
1639 1 5 . 1 1 42 42 ASN CB C 42 38.588 38.588 38.813 -0.225 18171
1640 1 5 . 1 1 42 42 ASN H H 42 8.281 8.281 7.496 0.785 18171
1641 1 5 . 1 1 43 43 ASP N N 43 122.981 122.981 122.596 0.385 18171
1642 1 5 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.646 0.109 18171
1643 1 5 . 1 1 43 43 ASP C C 43 174.773 174.773 176.295 -1.522 18171
1644 1 5 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.517 -0.910 18171
1645 1 5 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.946 0.423 18171
1646 1 5 . 1 1 43 43 ASP H H 43 7.960 7.960 8.135 -0.175 18171
1647 1 5 . 1 1 44 44 LYS N N 44 125.893 125.893 128.128 -2.235 18171
1648 1 5 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.885 -0.025 18171
1649 1 5 . 1 1 44 44 LYS C C 44 177.796 177.796 178.194 -0.398 18171
1650 1 5 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.296 0.500 18171
1651 1 5 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.522 0.014 18171
1652 1 5 . 1 1 44 44 LYS H H 44 8.361 8.361 8.120 0.241 18171
1653 1 5 . 1 1 45 45 GLU N N 45 116.698 116.698 118.256 -1.558 18171
1654 1 5 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.153 -0.086 18171
1655 1 5 . 1 1 45 45 GLU C C 45 178.724 178.724 178.727 -0.003 18171
1656 1 5 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.339 0.116 18171
1657 1 5 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.455 0.302 18171
1658 1 5 . 1 1 45 45 GLU H H 45 8.127 8.127 8.126 0.001 18171
1659 1 5 . 1 1 46 46 VAL N N 46 117.476 117.476 119.692 -2.216 18171
1660 1 5 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.752 -0.338 18171
1661 1 5 . 1 1 46 46 VAL C C 46 177.879 177.879 178.161 -0.282 18171
1662 1 5 . 1 1 46 46 VAL CA C 46 66.430 66.430 65.759 0.671 18171
1663 1 5 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.192 0.836 18171
1664 1 5 . 1 1 46 46 VAL H H 46 7.452 7.452 7.581 -0.129 18171
1665 1 5 . 1 1 47 47 MET N N 47 117.027 117.027 120.197 -3.170 18171
1666 1 5 . 1 1 47 47 MET HA H 47 4.479 4.479 4.035 0.444 18171
1667 1 5 . 1 1 47 47 MET C C 47 179.307 179.307 178.273 1.034 18171
1668 1 5 . 1 1 47 47 MET CA C 47 56.809 56.809 60.244 -3.435 18171
1669 1 5 . 1 1 47 47 MET CB C 47 30.371 30.371 32.129 -1.758 18171
1670 1 5 . 1 1 47 47 MET H H 47 8.542 8.542 8.343 0.199 18171
1671 1 5 . 1 1 48 48 ASP N N 48 119.811 119.811 119.378 0.433 18171
1672 1 5 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.409 0.083 18171
1673 1 5 . 1 1 48 48 ASP C C 48 179.136 179.136 179.075 0.061 18171
1674 1 5 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.808 -0.237 18171
1675 1 5 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.873 -0.420 18171
1676 1 5 . 1 1 48 48 ASP H H 48 8.580 8.580 7.856 0.724 18171
1677 1 5 . 1 1 49 49 VAL N N 49 118.816 118.816 119.587 -0.771 18171
1678 1 5 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.774 -0.136 18171
1679 1 5 . 1 1 49 49 VAL C C 49 177.777 177.777 177.845 -0.068 18171
1680 1 5 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.509 -0.052 18171
1681 1 5 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.783 -0.717 18171
1682 1 5 . 1 1 49 49 VAL H H 49 7.319 7.319 7.522 -0.203 18171
1683 1 5 . 1 1 50 50 PHE N N 50 120.305 120.305 119.757 0.548 18171
1684 1 5 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.217 -0.081 18171
1685 1 5 . 1 1 50 50 PHE C C 50 178.505 178.505 178.156 0.349 18171
1686 1 5 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.669 -1.129 18171
1687 1 5 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.673 -0.364 18171
1688 1 5 . 1 1 50 50 PHE H H 50 8.529 8.529 9.178 -0.649 18171
1689 1 5 . 1 1 51 51 ASN N N 51 117.888 117.888 117.108 0.780 18171
1690 1 5 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.486 -0.071 18171
1691 1 5 . 1 1 51 51 ASN C C 51 177.863 177.863 176.970 0.893 18171
1692 1 5 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.997 0.171 18171
1693 1 5 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.643 -0.334 18171
1694 1 5 . 1 1 51 51 ASN H H 51 8.886 8.886 8.701 0.185 18171
1695 1 5 . 1 1 52 52 LYS N N 52 120.120 120.120 121.929 -1.809 18171
1696 1 5 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.064 0.046 18171
1697 1 5 . 1 1 52 52 LYS C C 52 179.002 179.002 178.253 0.749 18171
1698 1 5 . 1 1 52 52 LYS CA C 52 58.974 58.974 58.974 -0.000 18171
1699 1 5 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.400 -0.345 18171
1700 1 5 . 1 1 52 52 LYS H H 52 7.760 7.760 7.128 0.631 18171
1701 1 5 . 1 1 53 53 ILE N N 53 117.988 117.988 119.705 -1.717 18171
1702 1 5 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.498 0.259 18171
1703 1 5 . 1 1 53 53 ILE C C 53 177.686 177.686 177.720 -0.034 18171
1704 1 5 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.709 0.332 18171
1705 1 5 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.743 -0.076 18171
1706 1 5 . 1 1 53 53 ILE H H 53 8.400 8.400 8.565 -0.165 18171
1707 1 5 . 1 1 54 54 SER N N 54 114.267 114.267 113.118 1.149 18171
1708 1 5 . 1 1 54 54 SER HA H 54 4.050 4.050 4.252 -0.202 18171
1709 1 5 . 1 1 54 54 SER C C 54 175.690 175.690 176.329 -0.639 18171
1710 1 5 . 1 1 54 54 SER CA C 54 61.417 61.417 60.493 0.923 18171
1711 1 5 . 1 1 54 54 SER CB C 54 62.922 62.922 63.241 -0.319 18171
1712 1 5 . 1 1 54 54 SER H H 54 8.042 8.042 7.622 0.420 18171
1713 1 5 . 1 1 55 55 GLN N N 55 118.045 118.045 120.105 -2.060 18171
1714 1 5 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.084 0.056 18171
1715 1 5 . 1 1 55 55 GLN C C 55 177.193 177.193 177.751 -0.558 18171
1716 1 5 . 1 1 55 55 GLN CA C 55 57.082 57.082 58.007 -0.925 18171
1717 1 5 . 1 1 55 55 GLN CB C 55 28.720 28.720 28.927 -0.207 18171
1718 1 5 . 1 1 55 55 GLN H H 55 7.415 7.415 7.406 0.009 18171
1719 1 5 . 1 1 56 56 LEU N N 56 118.492 118.492 117.667 0.825 18171
1720 1 5 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.174 -0.141 18171
1721 1 5 . 1 1 56 56 LEU C C 56 176.578 176.578 176.713 -0.135 18171
1722 1 5 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.189 -0.284 18171
1723 1 5 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.484 0.065 18171
1724 1 5 . 1 1 56 56 LEU H H 56 7.732 7.732 7.825 -0.093 18171
1725 1 5 . 1 1 57 57 PHE N N 57 116.774 116.774 114.412 2.362 18171
1726 1 5 . 1 1 57 57 PHE HA H 57 4.892 4.892 5.021 -0.129 18171
1727 1 5 . 1 1 57 57 PHE C C 57 173.125 173.125 174.065 -0.940 18171
1728 1 5 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.360 1.851 18171
1729 1 5 . 1 1 57 57 PHE CB C 57 39.023 39.023 37.853 1.170 18171
1730 1 5 . 1 1 57 57 PHE H H 57 7.629 7.629 7.228 0.401 18171
1731 1 5 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.464 0.016 18171
1732 1 5 . 1 1 58 58 PRO C C 58 178.090 178.090 177.105 0.985 18171
1733 1 5 . 1 1 58 58 PRO CA C 58 63.972 63.972 64.022 -0.050 18171
1734 1 5 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.166 -0.239 18171
1735 1 5 . 1 1 59 59 GLY N N 59 108.335 108.335 105.889 2.446 18171
1736 1 5 . 1 1 59 59 GLY C C 59 174.930 174.930 173.520 1.410 18171
1737 1 5 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.102 0.282 18171
1738 1 5 . 1 1 59 59 GLY H H 59 8.411 8.411 7.717 0.694 18171
1739 1 5 . 1 1 60 60 MET N N 60 119.206 119.206 118.582 0.624 18171
1740 1 5 . 1 1 60 60 MET HA H 60 4.467 4.467 4.072 0.395 18171
1741 1 5 . 1 1 60 60 MET C C 60 176.320 176.320 175.316 1.004 18171
1742 1 5 . 1 1 60 60 MET CA C 60 56.395 56.395 55.542 0.853 18171
1743 1 5 . 1 1 60 60 MET CB C 60 32.964 32.964 30.211 2.753 18171
1744 1 5 . 1 1 60 60 MET H H 60 8.053 8.053 7.911 0.142 18171
1745 1 5 . 1 1 61 61 THR N N 61 111.041 111.041 110.748 0.293 18171
1746 1 5 . 1 1 61 61 THR HA H 61 4.402 4.402 4.112 0.290 18171
1747 1 5 . 1 1 61 61 THR C C 61 173.976 173.976 175.372 -1.396 18171
1748 1 5 . 1 1 61 61 THR CA C 61 61.233 61.233 62.565 -1.332 18171
1749 1 5 . 1 1 61 61 THR CB C 61 70.120 70.120 68.518 1.602 18171
1750 1 5 . 1 1 61 61 THR H H 61 7.880 7.880 8.219 -0.339 18171
1751 1 6 . 1 1 2 2 GLU N N 2 115.081 115.081 121.027 -5.946 18171
1752 1 6 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.025 -0.165 18171
1753 1 6 . 1 1 2 2 GLU C C 2 179.259 179.259 178.283 0.976 18171
1754 1 6 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.516 0.844 18171
1755 1 6 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.267 -0.541 18171
1756 1 6 . 1 1 2 2 GLU H H 2 8.756 8.756 9.037 -0.281 18171
1757 1 6 . 1 1 3 3 GLU N N 3 120.051 120.051 119.325 0.726 18171
1758 1 6 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.059 -0.043 18171
1759 1 6 . 1 1 3 3 GLU C C 3 178.863 178.863 179.091 -0.228 18171
1760 1 6 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.158 -0.152 18171
1761 1 6 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.197 1.168 18171
1762 1 6 . 1 1 3 3 GLU H H 3 7.722 7.722 8.407 -0.685 18171
1763 1 6 . 1 1 4 4 VAL N N 4 120.223 120.223 120.579 -0.356 18171
1764 1 6 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.738 -0.229 18171
1765 1 6 . 1 1 4 4 VAL C C 4 177.687 177.687 177.225 0.462 18171
1766 1 6 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.201 1.466 18171
1767 1 6 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.734 -0.193 18171
1768 1 6 . 1 1 4 4 VAL H H 4 7.815 7.815 7.819 -0.004 18171
1769 1 6 . 1 1 5 5 ILE N N 5 118.475 118.475 118.742 -0.267 18171
1770 1 6 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.568 -0.068 18171
1771 1 6 . 1 1 5 5 ILE C C 5 177.638 177.638 177.975 -0.337 18171
1772 1 6 . 1 1 5 5 ILE CA C 5 64.361 64.361 65.245 -0.884 18171
1773 1 6 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.351 -0.215 18171
1774 1 6 . 1 1 5 5 ILE H H 5 8.293 8.293 8.107 0.186 18171
1775 1 6 . 1 1 6 6 SER N N 6 113.327 113.327 114.487 -1.160 18171
1776 1 6 . 1 1 6 6 SER HA H 6 4.034 4.034 4.203 -0.169 18171
1777 1 6 . 1 1 6 6 SER C C 6 176.398 176.398 176.269 0.129 18171
1778 1 6 . 1 1 6 6 SER CA C 6 61.781 61.781 61.425 0.356 18171
1779 1 6 . 1 1 6 6 SER CB C 6 62.770 62.770 63.056 -0.286 18171
1780 1 6 . 1 1 6 6 SER H H 6 7.740 7.740 7.958 -0.218 18171
1781 1 6 . 1 1 7 7 LYS N N 7 119.755 119.755 121.715 -1.960 18171
1782 1 6 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.118 0.025 18171
1783 1 6 . 1 1 7 7 LYS C C 7 179.622 179.622 178.668 0.954 18171
1784 1 6 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.535 -0.529 18171
1785 1 6 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.517 0.225 18171
1786 1 6 . 1 1 7 7 LYS H H 7 7.523 7.523 7.611 -0.088 18171
1787 1 6 . 1 1 8 8 ILE N N 8 119.544 119.544 120.569 -1.025 18171
1788 1 6 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.723 -0.080 18171
1789 1 6 . 1 1 8 8 ILE C C 8 177.510 177.510 177.216 0.294 18171
1790 1 6 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.151 2.029 18171
1791 1 6 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.312 1.149 18171
1792 1 6 . 1 1 8 8 ILE H H 8 8.132 8.132 7.620 0.512 18171
1793 1 6 . 1 1 9 9 MET N N 9 114.616 114.616 117.802 -3.186 18171
1794 1 6 . 1 1 9 9 MET HA H 9 4.104 4.104 4.183 -0.079 18171
1795 1 6 . 1 1 9 9 MET C C 9 177.018 177.018 177.336 -0.318 18171
1796 1 6 . 1 1 9 9 MET CA C 9 56.601 56.601 56.628 -0.027 18171
1797 1 6 . 1 1 9 9 MET CB C 9 31.479 31.479 31.025 0.454 18171
1798 1 6 . 1 1 9 9 MET H H 9 7.835 7.835 7.739 0.096 18171
1799 1 6 . 1 1 10 10 GLU N N 10 116.206 116.206 118.885 -2.679 18171
1800 1 6 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.130 0.022 18171
1801 1 6 . 1 1 10 10 GLU C C 10 176.263 176.263 176.948 -0.685 18171
1802 1 6 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.428 -0.345 18171
1803 1 6 . 1 1 10 10 GLU CB C 10 30.010 30.010 30.125 -0.115 18171
1804 1 6 . 1 1 10 10 GLU H H 10 7.318 7.318 7.936 -0.618 18171
1805 1 6 . 1 1 11 11 ASN N N 11 119.007 119.007 118.399 0.608 18171
1806 1 6 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.165 -0.024 18171
1807 1 6 . 1 1 11 11 ASN C C 11 173.093 173.093 173.210 -0.117 18171
1808 1 6 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.719 -0.010 18171
1809 1 6 . 1 1 11 11 ASN CB C 11 40.100 40.100 38.515 1.585 18171
1810 1 6 . 1 1 11 11 ASN H H 11 7.707 7.707 7.936 -0.229 18171
1811 1 6 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.121 0.162 18171
1812 1 6 . 1 1 12 12 PRO C C 12 177.932 177.932 177.398 0.534 18171
1813 1 6 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.323 -0.095 18171
1814 1 6 . 1 1 12 12 PRO CB C 12 32.008 32.008 32.041 -0.033 18171
1815 1 6 . 1 1 13 13 ASP N N 13 116.410 116.410 117.439 -1.029 18171
1816 1 6 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.492 -0.067 18171
1817 1 6 . 1 1 13 13 ASP C C 13 178.456 178.456 178.548 -0.092 18171
1818 1 6 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.126 -0.317 18171
1819 1 6 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.839 -0.900 18171
1820 1 6 . 1 1 13 13 ASP H H 13 8.218 8.218 8.522 -0.304 18171
1821 1 6 . 1 1 14 14 VAL N N 14 120.053 120.053 120.413 -0.360 18171
1822 1 6 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.780 0.002 18171
1823 1 6 . 1 1 14 14 VAL C C 14 177.045 177.045 177.467 -0.422 18171
1824 1 6 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.449 -1.099 18171
1825 1 6 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.724 0.037 18171
1826 1 6 . 1 1 14 14 VAL H H 14 7.722 7.722 8.207 -0.485 18171
1827 1 6 . 1 1 15 15 ALA N N 15 121.814 121.814 122.843 -1.029 18171
1828 1 6 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.779 0.143 18171
1829 1 6 . 1 1 15 15 ALA C C 15 180.315 180.315 179.339 0.976 18171
1830 1 6 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.180 0.474 18171
1831 1 6 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.270 -0.093 18171
1832 1 6 . 1 1 15 15 ALA H H 15 8.245 8.245 7.503 0.742 18171
1833 1 6 . 1 1 16 16 MET N N 16 114.438 114.438 116.562 -2.124 18171
1834 1 6 . 1 1 16 16 MET HA H 16 4.234 4.234 4.349 -0.115 18171
1835 1 6 . 1 1 16 16 MET C C 16 178.930 178.930 178.910 0.020 18171
1836 1 6 . 1 1 16 16 MET CA C 16 58.011 58.011 56.743 1.268 18171
1837 1 6 . 1 1 16 16 MET CB C 16 32.027 32.027 32.187 -0.160 18171
1838 1 6 . 1 1 16 16 MET H H 16 7.878 7.878 7.838 0.040 18171
1839 1 6 . 1 1 17 17 ALA N N 17 123.280 123.280 123.628 -0.348 18171
1840 1 6 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.226 -0.048 18171
1841 1 6 . 1 1 17 17 ALA C C 17 179.091 179.091 179.876 -0.785 18171
1842 1 6 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.976 -0.413 18171
1843 1 6 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.083 0.308 18171
1844 1 6 . 1 1 17 17 ALA H H 17 7.647 7.647 7.881 -0.234 18171
1845 1 6 . 1 1 18 18 PHE N N 18 114.808 114.808 115.922 -1.114 18171
1846 1 6 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.305 -0.187 18171
1847 1 6 . 1 1 18 18 PHE C C 18 175.169 175.169 176.654 -1.485 18171
1848 1 6 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.208 -0.774 18171
1849 1 6 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.617 0.426 18171
1850 1 6 . 1 1 18 18 PHE H H 18 8.032 8.032 8.740 -0.708 18171
1851 1 6 . 1 1 19 19 GLN N N 19 114.221 114.221 116.462 -2.241 18171
1852 1 6 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.353 -0.286 18171
1853 1 6 . 1 1 19 19 GLN C C 19 175.843 175.843 175.743 0.100 18171
1854 1 6 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.315 0.832 18171
1855 1 6 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.648 -0.028 18171
1856 1 6 . 1 1 19 19 GLN H H 19 7.414 7.414 7.559 -0.145 18171
1857 1 6 . 1 1 20 20 ASN N N 20 119.994 119.994 119.719 0.275 18171
1858 1 6 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.163 -0.280 18171
1859 1 6 . 1 1 20 20 ASN C C 20 174.726 174.726 174.423 0.303 18171
1860 1 6 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.638 -0.037 18171
1861 1 6 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.633 -1.376 18171
1862 1 6 . 1 1 20 20 ASN H H 20 7.497 7.497 7.910 -0.413 18171
1863 1 6 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.646 -0.457 18171
1864 1 6 . 1 1 21 21 PRO C C 21 178.747 178.747 178.740 0.007 18171
1865 1 6 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.286 -0.240 18171
1866 1 6 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.535 -0.414 18171
1867 1 6 . 1 1 22 22 ARG N N 22 117.899 117.899 118.432 -0.533 18171
1868 1 6 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.084 0.009 18171
1869 1 6 . 1 1 22 22 ARG C C 22 178.827 178.827 178.512 0.315 18171
1870 1 6 . 1 1 22 22 ARG CA C 22 58.986 58.986 59.320 -0.334 18171
1871 1 6 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.332 1.099 18171
1872 1 6 . 1 1 22 22 ARG H H 22 8.066 8.066 8.494 -0.428 18171
1873 1 6 . 1 1 23 23 VAL N N 23 119.694 119.694 120.176 -0.482 18171
1874 1 6 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.455 -0.071 18171
1875 1 6 . 1 1 23 23 VAL C C 23 177.319 177.319 177.413 -0.094 18171
1876 1 6 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.391 -0.643 18171
1877 1 6 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.548 -0.027 18171
1878 1 6 . 1 1 23 23 VAL H H 23 7.199 7.199 7.596 -0.397 18171
1879 1 6 . 1 1 24 24 GLN N N 24 117.842 117.842 118.878 -1.036 18171
1880 1 6 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.703 -0.070 18171
1881 1 6 . 1 1 24 24 GLN C C 24 177.902 177.902 178.414 -0.512 18171
1882 1 6 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.213 0.456 18171
1883 1 6 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.343 -0.323 18171
1884 1 6 . 1 1 24 24 GLN H H 24 7.790 7.790 7.981 -0.191 18171
1885 1 6 . 1 1 25 25 ALA N N 25 119.267 119.267 121.100 -1.833 18171
1886 1 6 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.108 -0.062 18171
1887 1 6 . 1 1 25 25 ALA C C 25 179.854 179.854 179.153 0.701 18171
1888 1 6 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.464 0.582 18171
1889 1 6 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.026 -0.202 18171
1890 1 6 . 1 1 25 25 ALA H H 25 7.808 7.808 8.055 -0.247 18171
1891 1 6 . 1 1 26 26 ALA N N 26 120.738 120.738 122.541 -1.803 18171
1892 1 6 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.723 0.198 18171
1893 1 6 . 1 1 26 26 ALA C C 26 179.988 179.988 179.462 0.526 18171
1894 1 6 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.253 0.946 18171
1895 1 6 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.066 0.105 18171
1896 1 6 . 1 1 26 26 ALA H H 26 7.500 7.500 7.436 0.064 18171
1897 1 6 . 1 1 27 27 LEU N N 27 118.511 118.511 119.057 -0.546 18171
1898 1 6 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.065 -0.152 18171
1899 1 6 . 1 1 27 27 LEU C C 27 179.923 179.923 179.102 0.821 18171
1900 1 6 . 1 1 27 27 LEU CA C 27 58.059 58.059 58.214 -0.155 18171
1901 1 6 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.718 -0.790 18171
1902 1 6 . 1 1 27 27 LEU H H 27 8.324 8.324 8.467 -0.143 18171
1903 1 6 . 1 1 28 28 MET N N 28 118.681 118.681 117.715 0.966 18171
1904 1 6 . 1 1 28 28 MET HA H 28 4.144 4.144 4.043 0.101 18171
1905 1 6 . 1 1 28 28 MET C C 28 179.635 179.635 178.789 0.846 18171
1906 1 6 . 1 1 28 28 MET CA C 28 58.734 58.734 58.001 0.733 18171
1907 1 6 . 1 1 28 28 MET CB C 28 31.901 31.901 32.249 -0.348 18171
1908 1 6 . 1 1 28 28 MET H H 28 8.127 8.127 8.073 0.054 18171
1909 1 6 . 1 1 29 29 GLU N N 29 119.813 119.813 119.372 0.441 18171
1910 1 6 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.124 0.102 18171
1911 1 6 . 1 1 29 29 GLU C C 29 180.544 180.544 178.873 1.671 18171
1912 1 6 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.734 0.962 18171
1913 1 6 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.506 0.171 18171
1914 1 6 . 1 1 29 29 GLU H H 29 8.302 8.302 8.226 0.076 18171
1915 1 6 . 1 1 30 30 CYS N N 30 118.465 118.465 118.210 0.255 18171
1916 1 6 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.142 0.311 18171
1917 1 6 . 1 1 30 30 CYS C C 30 175.357 175.357 175.678 -0.321 18171
1918 1 6 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.053 0.429 18171
1919 1 6 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.088 -0.298 18171
1920 1 6 . 1 1 30 30 CYS H H 30 8.465 8.465 7.935 0.530 18171
1921 1 6 . 1 1 31 31 SER N N 31 114.366 114.366 113.895 0.471 18171
1922 1 6 . 1 1 31 31 SER HA H 31 4.174 4.174 4.228 -0.054 18171
1923 1 6 . 1 1 31 31 SER C C 31 175.371 175.371 176.204 -0.833 18171
1924 1 6 . 1 1 31 31 SER CA C 31 60.932 60.932 61.004 -0.072 18171
1925 1 6 . 1 1 31 31 SER CB C 31 62.749 62.749 63.069 -0.320 18171
1926 1 6 . 1 1 31 31 SER H H 31 7.859 7.859 7.716 0.143 18171
1927 1 6 . 1 1 32 32 GLU N N 32 119.996 119.996 119.946 0.050 18171
1928 1 6 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.250 -0.046 18171
1929 1 6 . 1 1 32 32 GLU C C 32 176.983 176.983 176.562 0.421 18171
1930 1 6 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.127 -0.155 18171
1931 1 6 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.381 -0.304 18171
1932 1 6 . 1 1 32 32 GLU H H 32 7.254 7.254 8.161 -0.907 18171
1933 1 6 . 1 1 33 33 ASN N N 33 113.026 113.026 112.491 0.535 18171
1934 1 6 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.873 0.100 18171
1935 1 6 . 1 1 33 33 ASN C C 33 173.504 173.504 173.086 0.418 18171
1936 1 6 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.060 -1.325 18171
1937 1 6 . 1 1 33 33 ASN CB C 33 39.485 39.485 36.805 2.680 18171
1938 1 6 . 1 1 33 33 ASN H H 33 7.370 7.370 7.642 -0.272 18171
1939 1 6 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.241 0.333 18171
1940 1 6 . 1 1 34 34 PRO C C 34 178.270 178.270 177.539 0.731 18171
1941 1 6 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.922 -0.095 18171
1942 1 6 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.852 -0.098 18171
1943 1 6 . 1 1 35 35 MET N N 35 115.258 115.258 113.418 1.840 18171
1944 1 6 . 1 1 35 35 MET HA H 35 4.330 4.330 4.204 0.126 18171
1945 1 6 . 1 1 35 35 MET C C 35 178.569 178.569 177.043 1.526 18171
1946 1 6 . 1 1 35 35 MET CA C 35 57.050 57.050 57.332 -0.282 18171
1947 1 6 . 1 1 35 35 MET CB C 35 31.300 31.300 31.272 0.028 18171
1948 1 6 . 1 1 35 35 MET H H 35 7.962 7.962 7.990 -0.028 18171
1949 1 6 . 1 1 36 36 ASN N N 36 117.357 117.357 119.065 -1.708 18171
1950 1 6 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.655 -0.082 18171
1951 1 6 . 1 1 36 36 ASN C C 36 176.470 176.470 177.855 -1.385 18171
1952 1 6 . 1 1 36 36 ASN CA C 36 55.126 55.126 56.151 -1.024 18171
1953 1 6 . 1 1 36 36 ASN CB C 36 38.442 38.442 38.854 -0.412 18171
1954 1 6 . 1 1 36 36 ASN H H 36 8.462 8.462 7.966 0.496 18171
1955 1 6 . 1 1 37 37 ILE N N 37 121.622 121.622 121.938 -0.316 18171
1956 1 6 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.761 0.349 18171
1957 1 6 . 1 1 37 37 ILE C C 37 177.331 177.331 177.109 0.222 18171
1958 1 6 . 1 1 37 37 ILE CA C 37 62.588 62.588 63.238 -0.650 18171
1959 1 6 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.942 0.073 18171
1960 1 6 . 1 1 37 37 ILE H H 37 7.820 7.820 7.807 0.013 18171
1961 1 6 . 1 1 38 38 MET N N 38 118.071 118.071 117.282 0.789 18171
1962 1 6 . 1 1 38 38 MET HA H 38 4.174 4.174 4.067 0.107 18171
1963 1 6 . 1 1 38 38 MET C C 38 178.456 178.456 177.419 1.037 18171
1964 1 6 . 1 1 38 38 MET CA C 38 57.563 57.563 58.344 -0.781 18171
1965 1 6 . 1 1 38 38 MET CB C 38 31.533 31.533 32.347 -0.814 18171
1966 1 6 . 1 1 38 38 MET H H 38 7.479 7.479 7.647 -0.168 18171
1967 1 6 . 1 1 39 39 LYS N N 39 117.427 117.427 117.740 -0.313 18171
1968 1 6 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.238 -0.291 18171
1969 1 6 . 1 1 39 39 LYS C C 39 177.456 177.456 178.625 -1.169 18171
1970 1 6 . 1 1 39 39 LYS CA C 39 58.012 58.012 58.202 -0.190 18171
1971 1 6 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.654 -1.881 18171
1972 1 6 . 1 1 39 39 LYS H H 39 7.580 7.580 8.087 -0.507 18171
1973 1 6 . 1 1 40 40 TYR N N 40 116.049 116.049 119.416 -3.367 18171
1974 1 6 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.294 0.236 18171
1975 1 6 . 1 1 40 40 TYR C C 40 175.635 175.635 177.892 -2.257 18171
1976 1 6 . 1 1 40 40 TYR CA C 40 58.398 58.398 59.529 -1.131 18171
1977 1 6 . 1 1 40 40 TYR CB C 40 39.490 39.490 37.132 2.358 18171
1978 1 6 . 1 1 40 40 TYR H H 40 7.651 7.651 7.836 -0.185 18171
1979 1 6 . 1 1 41 41 GLN N N 41 116.626 116.626 119.646 -3.020 18171
1980 1 6 . 1 1 41 41 GLN HA H 41 4.333 4.333 4.038 0.295 18171
1981 1 6 . 1 1 41 41 GLN C C 41 175.887 175.887 176.309 -0.422 18171
1982 1 6 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.561 0.025 18171
1983 1 6 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.696 1.351 18171
1984 1 6 . 1 1 41 41 GLN H H 41 7.001 7.001 7.865 -0.864 18171
1985 1 6 . 1 1 42 42 ASN N N 42 114.491 114.491 115.068 -0.577 18171
1986 1 6 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.788 0.074 18171
1987 1 6 . 1 1 42 42 ASN C C 42 173.784 173.784 174.750 -0.966 18171
1988 1 6 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.541 -1.008 18171
1989 1 6 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.363 -0.775 18171
1990 1 6 . 1 1 42 42 ASN H H 42 8.281 8.281 7.538 0.743 18171
1991 1 6 . 1 1 43 43 ASP N N 43 122.981 122.981 122.337 0.644 18171
1992 1 6 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.796 -0.041 18171
1993 1 6 . 1 1 43 43 ASP C C 43 174.773 174.773 176.043 -1.270 18171
1994 1 6 . 1 1 43 43 ASP CA C 43 52.607 52.607 52.842 -0.235 18171
1995 1 6 . 1 1 43 43 ASP CB C 43 41.369 41.369 41.017 0.352 18171
1996 1 6 . 1 1 43 43 ASP H H 43 7.960 7.960 8.252 -0.292 18171
1997 1 6 . 1 1 44 44 LYS N N 44 125.893 125.893 128.280 -2.387 18171
1998 1 6 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.935 -0.075 18171
1999 1 6 . 1 1 44 44 LYS C C 44 177.796 177.796 178.148 -0.352 18171
2000 1 6 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.121 0.675 18171
2001 1 6 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.599 -0.063 18171
2002 1 6 . 1 1 44 44 LYS H H 44 8.361 8.361 8.165 0.196 18171
2003 1 6 . 1 1 45 45 GLU N N 45 116.698 116.698 118.868 -2.170 18171
2004 1 6 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.140 -0.073 18171
2005 1 6 . 1 1 45 45 GLU C C 45 178.724 178.724 178.431 0.293 18171
2006 1 6 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.604 -0.149 18171
2007 1 6 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.673 0.084 18171
2008 1 6 . 1 1 45 45 GLU H H 45 8.127 8.127 8.002 0.125 18171
2009 1 6 . 1 1 46 46 VAL N N 46 117.476 117.476 119.966 -2.490 18171
2010 1 6 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.738 -0.324 18171
2011 1 6 . 1 1 46 46 VAL C C 46 177.879 177.879 178.253 -0.374 18171
2012 1 6 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.032 0.398 18171
2013 1 6 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.538 0.490 18171
2014 1 6 . 1 1 46 46 VAL H H 46 7.452 7.452 7.860 -0.408 18171
2015 1 6 . 1 1 47 47 MET N N 47 117.027 117.027 119.811 -2.784 18171
2016 1 6 . 1 1 47 47 MET HA H 47 4.479 4.479 4.094 0.385 18171
2017 1 6 . 1 1 47 47 MET C C 47 179.307 179.307 178.495 0.812 18171
2018 1 6 . 1 1 47 47 MET CA C 47 56.809 56.809 59.869 -3.060 18171
2019 1 6 . 1 1 47 47 MET CB C 47 30.371 30.371 32.067 -1.696 18171
2020 1 6 . 1 1 47 47 MET H H 47 8.542 8.542 8.479 0.063 18171
2021 1 6 . 1 1 48 48 ASP N N 48 119.811 119.811 120.438 -0.627 18171
2022 1 6 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.417 0.075 18171
2023 1 6 . 1 1 48 48 ASP C C 48 179.136 179.136 179.042 0.094 18171
2024 1 6 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.500 0.071 18171
2025 1 6 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.438 0.015 18171
2026 1 6 . 1 1 48 48 ASP H H 48 8.580 8.580 7.946 0.634 18171
2027 1 6 . 1 1 49 49 VAL N N 49 118.816 118.816 120.014 -1.198 18171
2028 1 6 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.841 -0.203 18171
2029 1 6 . 1 1 49 49 VAL C C 49 177.777 177.777 177.198 0.579 18171
2030 1 6 . 1 1 49 49 VAL CA C 49 66.457 66.457 65.391 1.066 18171
2031 1 6 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.732 -0.666 18171
2032 1 6 . 1 1 49 49 VAL H H 49 7.319 7.319 7.554 -0.235 18171
2033 1 6 . 1 1 50 50 PHE N N 50 120.305 120.305 119.946 0.359 18171
2034 1 6 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.255 -0.119 18171
2035 1 6 . 1 1 50 50 PHE C C 50 178.505 178.505 177.646 0.859 18171
2036 1 6 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.044 -0.504 18171
2037 1 6 . 1 1 50 50 PHE CB C 50 38.309 38.309 39.119 -0.810 18171
2038 1 6 . 1 1 50 50 PHE H H 50 8.529 8.529 8.745 -0.216 18171
2039 1 6 . 1 1 51 51 ASN N N 51 117.888 117.888 117.308 0.580 18171
2040 1 6 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.476 -0.061 18171
2041 1 6 . 1 1 51 51 ASN C C 51 177.863 177.863 177.302 0.561 18171
2042 1 6 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.957 0.211 18171
2043 1 6 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.592 -0.283 18171
2044 1 6 . 1 1 51 51 ASN H H 51 8.886 8.886 8.515 0.371 18171
2045 1 6 . 1 1 52 52 LYS N N 52 120.120 120.120 121.163 -1.043 18171
2046 1 6 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.019 0.091 18171
2047 1 6 . 1 1 52 52 LYS C C 52 179.002 179.002 178.454 0.548 18171
2048 1 6 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.162 -0.188 18171
2049 1 6 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.293 -0.238 18171
2050 1 6 . 1 1 52 52 LYS H H 52 7.760 7.760 7.376 0.384 18171
2051 1 6 . 1 1 53 53 ILE N N 53 117.988 117.988 119.697 -1.709 18171
2052 1 6 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.561 0.196 18171
2053 1 6 . 1 1 53 53 ILE C C 53 177.686 177.686 177.669 0.017 18171
2054 1 6 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.751 0.290 18171
2055 1 6 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.751 -0.083 18171
2056 1 6 . 1 1 53 53 ILE H H 53 8.400 8.400 8.206 0.194 18171
2057 1 6 . 1 1 54 54 SER N N 54 114.267 114.267 113.414 0.853 18171
2058 1 6 . 1 1 54 54 SER HA H 54 4.050 4.050 4.185 -0.135 18171
2059 1 6 . 1 1 54 54 SER C C 54 175.690 175.690 176.060 -0.370 18171
2060 1 6 . 1 1 54 54 SER CA C 54 61.417 61.417 60.514 0.903 18171
2061 1 6 . 1 1 54 54 SER CB C 54 62.922 62.922 62.986 -0.064 18171
2062 1 6 . 1 1 54 54 SER H H 54 8.042 8.042 7.499 0.543 18171
2063 1 6 . 1 1 55 55 GLN N N 55 118.045 118.045 119.619 -1.574 18171
2064 1 6 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.089 0.051 18171
2065 1 6 . 1 1 55 55 GLN C C 55 177.193 177.193 177.354 -0.161 18171
2066 1 6 . 1 1 55 55 GLN CA C 55 57.082 57.082 58.248 -1.166 18171
2067 1 6 . 1 1 55 55 GLN CB C 55 28.720 28.720 28.654 0.066 18171
2068 1 6 . 1 1 55 55 GLN H H 55 7.415 7.415 7.230 0.185 18171
2069 1 6 . 1 1 56 56 LEU N N 56 118.492 118.492 116.903 1.589 18171
2070 1 6 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.203 -0.170 18171
2071 1 6 . 1 1 56 56 LEU C C 56 176.578 176.578 176.910 -0.332 18171
2072 1 6 . 1 1 56 56 LEU CA C 56 55.905 55.905 55.457 0.448 18171
2073 1 6 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.357 0.192 18171
2074 1 6 . 1 1 56 56 LEU H H 56 7.732 7.732 7.647 0.085 18171
2075 1 6 . 1 1 57 57 PHE N N 57 116.774 116.774 115.247 1.527 18171
2076 1 6 . 1 1 57 57 PHE HA H 57 4.892 4.892 5.006 -0.114 18171
2077 1 6 . 1 1 57 57 PHE C C 57 173.125 173.125 174.389 -1.264 18171
2078 1 6 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.799 1.412 18171
2079 1 6 . 1 1 57 57 PHE CB C 57 39.023 39.023 37.650 1.373 18171
2080 1 6 . 1 1 57 57 PHE H H 57 7.629 7.629 7.291 0.338 18171
2081 1 6 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.448 0.032 18171
2082 1 6 . 1 1 58 58 PRO C C 58 178.090 178.090 178.130 -0.040 18171
2083 1 6 . 1 1 58 58 PRO CA C 58 63.972 63.972 64.408 -0.436 18171
2084 1 6 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.890 -0.963 18171
2085 1 6 . 1 1 59 59 GLY N N 59 108.335 108.335 106.552 1.783 18171
2086 1 6 . 1 1 59 59 GLY C C 59 174.930 174.930 174.352 0.578 18171
2087 1 6 . 1 1 59 59 GLY CA C 59 45.384 45.384 44.671 0.713 18171
2088 1 6 . 1 1 59 59 GLY H H 59 8.411 8.411 8.348 0.063 18171
2089 1 6 . 1 1 60 60 MET N N 60 119.206 119.206 117.676 1.530 18171
2090 1 6 . 1 1 60 60 MET HA H 60 4.467 4.467 4.211 0.256 18171
2091 1 6 . 1 1 60 60 MET C C 60 176.320 176.320 175.962 0.358 18171
2092 1 6 . 1 1 60 60 MET CA C 60 56.395 56.395 55.285 1.110 18171
2093 1 6 . 1 1 60 60 MET CB C 60 32.964 32.964 30.481 2.483 18171
2094 1 6 . 1 1 60 60 MET H H 60 8.053 8.053 7.785 0.268 18171
2095 1 6 . 1 1 61 61 THR N N 61 111.041 111.041 116.537 -5.496 18171
2096 1 6 . 1 1 61 61 THR HA H 61 4.402 4.402 4.360 0.042 18171
2097 1 6 . 1 1 61 61 THR C C 61 173.976 173.976 175.538 -1.562 18171
2098 1 6 . 1 1 61 61 THR CA C 61 61.233 61.233 61.686 -0.453 18171
2099 1 6 . 1 1 61 61 THR CB C 61 70.120 70.120 69.589 0.531 18171
2100 1 6 . 1 1 61 61 THR H H 61 7.880 7.880 7.995 -0.115 18171
2101 1 7 . 1 1 2 2 GLU N N 2 115.081 115.081 120.846 -5.765 18171
2102 1 7 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.060 -0.200 18171
2103 1 7 . 1 1 2 2 GLU C C 2 179.259 179.259 178.214 1.045 18171
2104 1 7 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.182 1.178 18171
2105 1 7 . 1 1 2 2 GLU CB C 2 28.726 28.726 28.983 -0.257 18171
2106 1 7 . 1 1 2 2 GLU H H 2 8.756 8.756 9.139 -0.383 18171
2107 1 7 . 1 1 3 3 GLU N N 3 120.051 120.051 119.268 0.783 18171
2108 1 7 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.069 -0.053 18171
2109 1 7 . 1 1 3 3 GLU C C 3 178.863 178.863 179.016 -0.153 18171
2110 1 7 . 1 1 3 3 GLU CA C 3 59.006 59.006 58.896 0.110 18171
2111 1 7 . 1 1 3 3 GLU CB C 3 30.365 30.365 28.783 1.582 18171
2112 1 7 . 1 1 3 3 GLU H H 3 7.722 7.722 8.602 -0.880 18171
2113 1 7 . 1 1 4 4 VAL N N 4 120.223 120.223 120.653 -0.430 18171
2114 1 7 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.737 -0.228 18171
2115 1 7 . 1 1 4 4 VAL C C 4 177.687 177.687 177.578 0.109 18171
2116 1 7 . 1 1 4 4 VAL CA C 4 66.667 66.667 64.868 1.799 18171
2117 1 7 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.781 -0.240 18171
2118 1 7 . 1 1 4 4 VAL H H 4 7.815 7.815 7.400 0.415 18171
2119 1 7 . 1 1 5 5 ILE N N 5 118.475 118.475 119.513 -1.038 18171
2120 1 7 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.537 -0.037 18171
2121 1 7 . 1 1 5 5 ILE C C 5 177.638 177.638 177.947 -0.309 18171
2122 1 7 . 1 1 5 5 ILE CA C 5 64.361 64.361 65.100 -0.739 18171
2123 1 7 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.363 -0.227 18171
2124 1 7 . 1 1 5 5 ILE H H 5 8.293 8.293 8.017 0.276 18171
2125 1 7 . 1 1 6 6 SER N N 6 113.327 113.327 114.515 -1.188 18171
2126 1 7 . 1 1 6 6 SER HA H 6 4.034 4.034 4.189 -0.155 18171
2127 1 7 . 1 1 6 6 SER C C 6 176.398 176.398 176.576 -0.178 18171
2128 1 7 . 1 1 6 6 SER CA C 6 61.781 61.781 61.375 0.406 18171
2129 1 7 . 1 1 6 6 SER CB C 6 62.770 62.770 63.002 -0.232 18171
2130 1 7 . 1 1 6 6 SER H H 6 7.740 7.740 7.766 -0.026 18171
2131 1 7 . 1 1 7 7 LYS N N 7 119.755 119.755 122.098 -2.343 18171
2132 1 7 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.113 0.030 18171
2133 1 7 . 1 1 7 7 LYS C C 7 179.622 179.622 178.885 0.737 18171
2134 1 7 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.467 -0.461 18171
2135 1 7 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.737 0.005 18171
2136 1 7 . 1 1 7 7 LYS H H 7 7.523 7.523 7.813 -0.290 18171
2137 1 7 . 1 1 8 8 ILE N N 8 119.544 119.544 119.905 -0.361 18171
2138 1 7 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.740 -0.097 18171
2139 1 7 . 1 1 8 8 ILE C C 8 177.510 177.510 177.157 0.353 18171
2140 1 7 . 1 1 8 8 ILE CA C 8 65.180 65.180 62.916 2.264 18171
2141 1 7 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.082 1.379 18171
2142 1 7 . 1 1 8 8 ILE H H 8 8.132 8.132 7.636 0.496 18171
2143 1 7 . 1 1 9 9 MET N N 9 114.616 114.616 118.068 -3.452 18171
2144 1 7 . 1 1 9 9 MET HA H 9 4.104 4.104 4.165 -0.061 18171
2145 1 7 . 1 1 9 9 MET C C 9 177.018 177.018 176.974 0.044 18171
2146 1 7 . 1 1 9 9 MET CA C 9 56.601 56.601 57.880 -1.280 18171
2147 1 7 . 1 1 9 9 MET CB C 9 31.479 31.479 31.748 -0.269 18171
2148 1 7 . 1 1 9 9 MET H H 9 7.835 7.835 7.610 0.225 18171
2149 1 7 . 1 1 10 10 GLU N N 10 116.206 116.206 118.426 -2.220 18171
2150 1 7 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.111 0.041 18171
2151 1 7 . 1 1 10 10 GLU C C 10 176.263 176.263 176.951 -0.688 18171
2152 1 7 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.365 -0.282 18171
2153 1 7 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.650 0.360 18171
2154 1 7 . 1 1 10 10 GLU H H 10 7.318 7.318 7.825 -0.507 18171
2155 1 7 . 1 1 11 11 ASN N N 11 119.007 119.007 118.261 0.746 18171
2156 1 7 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.133 0.008 18171
2157 1 7 . 1 1 11 11 ASN C C 11 173.093 173.093 172.928 0.165 18171
2158 1 7 . 1 1 11 11 ASN CA C 11 50.709 50.709 51.839 -1.130 18171
2159 1 7 . 1 1 11 11 ASN CB C 11 40.100 40.100 39.404 0.695 18171
2160 1 7 . 1 1 11 11 ASN H H 11 7.707 7.707 7.835 -0.128 18171
2161 1 7 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.035 0.248 18171
2162 1 7 . 1 1 12 12 PRO C C 12 177.932 177.932 177.240 0.692 18171
2163 1 7 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.506 -0.278 18171
2164 1 7 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.635 0.373 18171
2165 1 7 . 1 1 13 13 ASP N N 13 116.410 116.410 117.871 -1.461 18171
2166 1 7 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.385 0.040 18171
2167 1 7 . 1 1 13 13 ASP C C 13 178.456 178.456 178.002 0.454 18171
2168 1 7 . 1 1 13 13 ASP CA C 13 56.809 56.809 56.967 -0.158 18171
2169 1 7 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.434 -0.495 18171
2170 1 7 . 1 1 13 13 ASP H H 13 8.218 8.218 8.247 -0.029 18171
2171 1 7 . 1 1 14 14 VAL N N 14 120.053 120.053 120.321 -0.268 18171
2172 1 7 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.740 0.042 18171
2173 1 7 . 1 1 14 14 VAL C C 14 177.045 177.045 177.499 -0.454 18171
2174 1 7 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.525 -1.175 18171
2175 1 7 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.640 0.121 18171
2176 1 7 . 1 1 14 14 VAL H H 14 7.722 7.722 8.168 -0.446 18171
2177 1 7 . 1 1 15 15 ALA N N 15 121.814 121.814 122.638 -0.824 18171
2178 1 7 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.746 0.176 18171
2179 1 7 . 1 1 15 15 ALA C C 15 180.315 180.315 179.143 1.172 18171
2180 1 7 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.087 0.567 18171
2181 1 7 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.172 0.005 18171
2182 1 7 . 1 1 15 15 ALA H H 15 8.245 8.245 7.432 0.813 18171
2183 1 7 . 1 1 16 16 MET N N 16 114.438 114.438 116.402 -1.964 18171
2184 1 7 . 1 1 16 16 MET HA H 16 4.234 4.234 4.282 -0.048 18171
2185 1 7 . 1 1 16 16 MET C C 16 178.930 178.930 178.836 0.094 18171
2186 1 7 . 1 1 16 16 MET CA C 16 58.011 58.011 58.437 -0.426 18171
2187 1 7 . 1 1 16 16 MET CB C 16 32.027 32.027 32.986 -0.959 18171
2188 1 7 . 1 1 16 16 MET H H 16 7.878 7.878 7.706 0.172 18171
2189 1 7 . 1 1 17 17 ALA N N 17 123.280 123.280 123.712 -0.432 18171
2190 1 7 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.200 -0.022 18171
2191 1 7 . 1 1 17 17 ALA C C 17 179.091 179.091 179.616 -0.525 18171
2192 1 7 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.956 -0.393 18171
2193 1 7 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.096 0.295 18171
2194 1 7 . 1 1 17 17 ALA H H 17 7.647 7.647 7.978 -0.331 18171
2195 1 7 . 1 1 18 18 PHE N N 18 114.808 114.808 115.485 -0.677 18171
2196 1 7 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.239 -0.121 18171
2197 1 7 . 1 1 18 18 PHE C C 18 175.169 175.169 176.372 -1.203 18171
2198 1 7 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.351 -0.917 18171
2199 1 7 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.575 0.468 18171
2200 1 7 . 1 1 18 18 PHE H H 18 8.032 8.032 8.613 -0.581 18171
2201 1 7 . 1 1 19 19 GLN N N 19 114.221 114.221 116.553 -2.332 18171
2202 1 7 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.390 -0.323 18171
2203 1 7 . 1 1 19 19 GLN C C 19 175.843 175.843 175.553 0.290 18171
2204 1 7 . 1 1 19 19 GLN CA C 19 56.147 56.147 54.969 1.178 18171
2205 1 7 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.676 -0.056 18171
2206 1 7 . 1 1 19 19 GLN H H 19 7.414 7.414 7.592 -0.178 18171
2207 1 7 . 1 1 20 20 ASN N N 20 119.994 119.994 120.050 -0.056 18171
2208 1 7 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.186 -0.303 18171
2209 1 7 . 1 1 20 20 ASN C C 20 174.726 174.726 174.160 0.566 18171
2210 1 7 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.835 -0.234 18171
2211 1 7 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.861 -1.604 18171
2212 1 7 . 1 1 20 20 ASN H H 20 7.497 7.497 8.008 -0.511 18171
2213 1 7 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.266 -0.077 18171
2214 1 7 . 1 1 21 21 PRO C C 21 178.747 178.747 178.225 0.522 18171
2215 1 7 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.769 -0.723 18171
2216 1 7 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.142 -0.021 18171
2217 1 7 . 1 1 22 22 ARG N N 22 117.899 117.899 118.551 -0.652 18171
2218 1 7 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.051 0.042 18171
2219 1 7 . 1 1 22 22 ARG C C 22 178.827 178.827 178.398 0.429 18171
2220 1 7 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.519 0.467 18171
2221 1 7 . 1 1 22 22 ARG CB C 22 30.431 30.431 28.670 1.761 18171
2222 1 7 . 1 1 22 22 ARG H H 22 8.066 8.066 8.691 -0.625 18171
2223 1 7 . 1 1 23 23 VAL N N 23 119.694 119.694 120.523 -0.829 18171
2224 1 7 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.689 -0.305 18171
2225 1 7 . 1 1 23 23 VAL C C 23 177.319 177.319 177.975 -0.656 18171
2226 1 7 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.205 -0.457 18171
2227 1 7 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.169 0.352 18171
2228 1 7 . 1 1 23 23 VAL H H 23 7.199 7.199 7.546 -0.347 18171
2229 1 7 . 1 1 24 24 GLN N N 24 117.842 117.842 118.611 -0.769 18171
2230 1 7 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.743 -0.110 18171
2231 1 7 . 1 1 24 24 GLN C C 24 177.902 177.902 178.464 -0.562 18171
2232 1 7 . 1 1 24 24 GLN CA C 24 59.669 59.669 58.828 0.841 18171
2233 1 7 . 1 1 24 24 GLN CB C 24 28.020 28.020 27.892 0.128 18171
2234 1 7 . 1 1 24 24 GLN H H 24 7.790 7.790 7.995 -0.205 18171
2235 1 7 . 1 1 25 25 ALA N N 25 119.267 119.267 120.999 -1.732 18171
2236 1 7 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.137 -0.091 18171
2237 1 7 . 1 1 25 25 ALA C C 25 179.854 179.854 179.193 0.661 18171
2238 1 7 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.732 0.314 18171
2239 1 7 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.169 -0.345 18171
2240 1 7 . 1 1 25 25 ALA H H 25 7.808 7.808 8.122 -0.314 18171
2241 1 7 . 1 1 26 26 ALA N N 26 120.738 120.738 122.105 -1.367 18171
2242 1 7 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.833 0.088 18171
2243 1 7 . 1 1 26 26 ALA C C 26 179.988 179.988 179.676 0.312 18171
2244 1 7 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.514 0.685 18171
2245 1 7 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.350 -0.179 18171
2246 1 7 . 1 1 26 26 ALA H H 26 7.500 7.500 6.987 0.513 18171
2247 1 7 . 1 1 27 27 LEU N N 27 118.511 118.511 119.387 -0.876 18171
2248 1 7 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.186 -0.273 18171
2249 1 7 . 1 1 27 27 LEU C C 27 179.923 179.923 178.979 0.944 18171
2250 1 7 . 1 1 27 27 LEU CA C 27 58.059 58.059 58.037 0.022 18171
2251 1 7 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.639 -0.711 18171
2252 1 7 . 1 1 27 27 LEU H H 27 8.324 8.324 8.465 -0.141 18171
2253 1 7 . 1 1 28 28 MET N N 28 118.681 118.681 118.797 -0.116 18171
2254 1 7 . 1 1 28 28 MET HA H 28 4.144 4.144 4.101 0.043 18171
2255 1 7 . 1 1 28 28 MET C C 28 179.635 179.635 178.575 1.060 18171
2256 1 7 . 1 1 28 28 MET CA C 28 58.734 58.734 57.816 0.918 18171
2257 1 7 . 1 1 28 28 MET CB C 28 31.901 31.901 32.467 -0.566 18171
2258 1 7 . 1 1 28 28 MET H H 28 8.127 8.127 8.174 -0.047 18171
2259 1 7 . 1 1 29 29 GLU N N 29 119.813 119.813 118.821 0.992 18171
2260 1 7 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.156 0.070 18171
2261 1 7 . 1 1 29 29 GLU C C 29 180.544 180.544 179.063 1.481 18171
2262 1 7 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.697 0.999 18171
2263 1 7 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.798 -0.121 18171
2264 1 7 . 1 1 29 29 GLU H H 29 8.302 8.302 8.316 -0.014 18171
2265 1 7 . 1 1 30 30 CYS N N 30 118.465 118.465 119.597 -1.132 18171
2266 1 7 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.517 -0.064 18171
2267 1 7 . 1 1 30 30 CYS C C 30 175.357 175.357 175.836 -0.479 18171
2268 1 7 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.003 0.479 18171
2269 1 7 . 1 1 30 30 CYS CB C 30 26.790 26.790 26.815 -0.025 18171
2270 1 7 . 1 1 30 30 CYS H H 30 8.465 8.465 8.048 0.417 18171
2271 1 7 . 1 1 31 31 SER N N 31 114.366 114.366 113.131 1.235 18171
2272 1 7 . 1 1 31 31 SER HA H 31 4.174 4.174 4.149 0.025 18171
2273 1 7 . 1 1 31 31 SER C C 31 175.371 175.371 175.975 -0.604 18171
2274 1 7 . 1 1 31 31 SER CA C 31 60.932 60.932 60.861 0.071 18171
2275 1 7 . 1 1 31 31 SER CB C 31 62.749 62.749 63.236 -0.487 18171
2276 1 7 . 1 1 31 31 SER H H 31 7.859 7.859 7.691 0.168 18171
2277 1 7 . 1 1 32 32 GLU N N 32 119.996 119.996 119.447 0.549 18171
2278 1 7 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.211 -0.007 18171
2279 1 7 . 1 1 32 32 GLU C C 32 176.983 176.983 176.503 0.480 18171
2280 1 7 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.249 -0.278 18171
2281 1 7 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.534 -0.457 18171
2282 1 7 . 1 1 32 32 GLU H H 32 7.254 7.254 7.957 -0.703 18171
2283 1 7 . 1 1 33 33 ASN N N 33 113.026 113.026 111.307 1.719 18171
2284 1 7 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.926 0.047 18171
2285 1 7 . 1 1 33 33 ASN C C 33 173.504 173.504 172.893 0.611 18171
2286 1 7 . 1 1 33 33 ASN CA C 33 50.736 50.736 51.664 -0.928 18171
2287 1 7 . 1 1 33 33 ASN CB C 33 39.485 39.485 37.829 1.656 18171
2288 1 7 . 1 1 33 33 ASN H H 33 7.370 7.370 7.599 -0.229 18171
2289 1 7 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.290 0.284 18171
2290 1 7 . 1 1 34 34 PRO C C 34 178.270 178.270 177.640 0.630 18171
2291 1 7 . 1 1 34 34 PRO CA C 34 64.827 64.827 65.073 -0.246 18171
2292 1 7 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.828 -0.074 18171
2293 1 7 . 1 1 35 35 MET N N 35 115.258 115.258 115.179 0.079 18171
2294 1 7 . 1 1 35 35 MET HA H 35 4.330 4.330 4.183 0.147 18171
2295 1 7 . 1 1 35 35 MET C C 35 178.569 178.569 177.252 1.317 18171
2296 1 7 . 1 1 35 35 MET CA C 35 57.050 57.050 57.760 -0.709 18171
2297 1 7 . 1 1 35 35 MET CB C 35 31.300 31.300 31.616 -0.316 18171
2298 1 7 . 1 1 35 35 MET H H 35 7.962 7.962 7.889 0.073 18171
2299 1 7 . 1 1 36 36 ASN N N 36 117.357 117.357 119.086 -1.729 18171
2300 1 7 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.589 -0.016 18171
2301 1 7 . 1 1 36 36 ASN C C 36 176.470 176.470 177.364 -0.894 18171
2302 1 7 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.937 -0.811 18171
2303 1 7 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.764 0.678 18171
2304 1 7 . 1 1 36 36 ASN H H 36 8.462 8.462 8.278 0.184 18171
2305 1 7 . 1 1 37 37 ILE N N 37 121.622 121.622 122.220 -0.598 18171
2306 1 7 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.916 0.194 18171
2307 1 7 . 1 1 37 37 ILE C C 37 177.331 177.331 177.234 0.097 18171
2308 1 7 . 1 1 37 37 ILE CA C 37 62.588 62.588 62.937 -0.348 18171
2309 1 7 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.715 0.300 18171
2310 1 7 . 1 1 37 37 ILE H H 37 7.820 7.820 7.425 0.395 18171
2311 1 7 . 1 1 38 38 MET N N 38 118.071 118.071 116.624 1.447 18171
2312 1 7 . 1 1 38 38 MET HA H 38 4.174 4.174 4.094 0.080 18171
2313 1 7 . 1 1 38 38 MET C C 38 178.456 178.456 177.362 1.094 18171
2314 1 7 . 1 1 38 38 MET CA C 38 57.563 57.563 57.406 0.157 18171
2315 1 7 . 1 1 38 38 MET CB C 38 31.533 31.533 31.564 -0.031 18171
2316 1 7 . 1 1 38 38 MET H H 38 7.479 7.479 7.531 -0.052 18171
2317 1 7 . 1 1 39 39 LYS N N 39 117.427 117.427 118.493 -1.066 18171
2318 1 7 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.140 -0.193 18171
2319 1 7 . 1 1 39 39 LYS C C 39 177.456 177.456 178.601 -1.145 18171
2320 1 7 . 1 1 39 39 LYS CA C 39 58.012 58.012 57.917 0.095 18171
2321 1 7 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.456 -1.683 18171
2322 1 7 . 1 1 39 39 LYS H H 39 7.580 7.580 7.645 -0.065 18171
2323 1 7 . 1 1 40 40 TYR N N 40 116.049 116.049 119.175 -3.126 18171
2324 1 7 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.316 0.214 18171
2325 1 7 . 1 1 40 40 TYR C C 40 175.635 175.635 177.995 -2.360 18171
2326 1 7 . 1 1 40 40 TYR CA C 40 58.398 58.398 59.044 -0.645 18171
2327 1 7 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.790 2.700 18171
2328 1 7 . 1 1 40 40 TYR H H 40 7.651 7.651 7.670 -0.019 18171
2329 1 7 . 1 1 41 41 GLN N N 41 116.626 116.626 120.035 -3.409 18171
2330 1 7 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.955 0.378 18171
2331 1 7 . 1 1 41 41 GLN C C 41 175.887 175.887 176.652 -0.765 18171
2332 1 7 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.707 -0.121 18171
2333 1 7 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.586 1.461 18171
2334 1 7 . 1 1 41 41 GLN H H 41 7.001 7.001 7.923 -0.922 18171
2335 1 7 . 1 1 42 42 ASN N N 42 114.491 114.491 115.303 -0.812 18171
2336 1 7 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.709 0.153 18171
2337 1 7 . 1 1 42 42 ASN C C 42 173.784 173.784 175.223 -1.439 18171
2338 1 7 . 1 1 42 42 ASN CA C 42 52.532 52.532 54.431 -1.899 18171
2339 1 7 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.126 -0.538 18171
2340 1 7 . 1 1 42 42 ASN H H 42 8.281 8.281 7.564 0.717 18171
2341 1 7 . 1 1 43 43 ASP N N 43 122.981 122.981 122.197 0.784 18171
2342 1 7 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.778 -0.023 18171
2343 1 7 . 1 1 43 43 ASP C C 43 174.773 174.773 176.119 -1.346 18171
2344 1 7 . 1 1 43 43 ASP CA C 43 52.607 52.607 52.978 -0.371 18171
2345 1 7 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.740 0.629 18171
2346 1 7 . 1 1 43 43 ASP H H 43 7.960 7.960 8.276 -0.316 18171
2347 1 7 . 1 1 44 44 LYS N N 44 125.893 125.893 127.167 -1.274 18171
2348 1 7 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.906 -0.046 18171
2349 1 7 . 1 1 44 44 LYS C C 44 177.796 177.796 178.058 -0.262 18171
2350 1 7 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.574 0.222 18171
2351 1 7 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.548 -0.012 18171
2352 1 7 . 1 1 44 44 LYS H H 44 8.361 8.361 7.989 0.372 18171
2353 1 7 . 1 1 45 45 GLU N N 45 116.698 116.698 119.043 -2.345 18171
2354 1 7 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.122 -0.055 18171
2355 1 7 . 1 1 45 45 GLU C C 45 178.724 178.724 178.743 -0.019 18171
2356 1 7 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.282 0.173 18171
2357 1 7 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.244 0.513 18171
2358 1 7 . 1 1 45 45 GLU H H 45 8.127 8.127 7.934 0.193 18171
2359 1 7 . 1 1 46 46 VAL N N 46 117.476 117.476 119.807 -2.331 18171
2360 1 7 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.737 -0.323 18171
2361 1 7 . 1 1 46 46 VAL C C 46 177.879 177.879 178.320 -0.441 18171
2362 1 7 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.181 0.249 18171
2363 1 7 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.231 0.797 18171
2364 1 7 . 1 1 46 46 VAL H H 46 7.452 7.452 7.832 -0.380 18171
2365 1 7 . 1 1 47 47 MET N N 47 117.027 117.027 119.598 -2.571 18171
2366 1 7 . 1 1 47 47 MET HA H 47 4.479 4.479 4.069 0.410 18171
2367 1 7 . 1 1 47 47 MET C C 47 179.307 179.307 178.552 0.755 18171
2368 1 7 . 1 1 47 47 MET CA C 47 56.809 56.809 59.870 -3.061 18171
2369 1 7 . 1 1 47 47 MET CB C 47 30.371 30.371 32.091 -1.720 18171
2370 1 7 . 1 1 47 47 MET H H 47 8.542 8.542 8.272 0.270 18171
2371 1 7 . 1 1 48 48 ASP N N 48 119.811 119.811 120.557 -0.746 18171
2372 1 7 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.400 0.092 18171
2373 1 7 . 1 1 48 48 ASP C C 48 179.136 179.136 179.036 0.100 18171
2374 1 7 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.700 -0.129 18171
2375 1 7 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.610 -0.157 18171
2376 1 7 . 1 1 48 48 ASP H H 48 8.580 8.580 8.057 0.523 18171
2377 1 7 . 1 1 49 49 VAL N N 49 118.816 118.816 119.965 -1.149 18171
2378 1 7 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.753 -0.115 18171
2379 1 7 . 1 1 49 49 VAL C C 49 177.777 177.777 177.210 0.567 18171
2380 1 7 . 1 1 49 49 VAL CA C 49 66.457 66.457 65.716 0.741 18171
2381 1 7 . 1 1 49 49 VAL CB C 49 31.066 31.066 32.086 -1.020 18171
2382 1 7 . 1 1 49 49 VAL H H 49 7.319 7.319 7.595 -0.276 18171
2383 1 7 . 1 1 50 50 PHE N N 50 120.305 120.305 119.319 0.986 18171
2384 1 7 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.245 -0.109 18171
2385 1 7 . 1 1 50 50 PHE C C 50 178.505 178.505 177.499 1.006 18171
2386 1 7 . 1 1 50 50 PHE CA C 50 61.540 61.540 61.773 -0.233 18171
2387 1 7 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.970 -0.661 18171
2388 1 7 . 1 1 50 50 PHE H H 50 8.529 8.529 8.847 -0.318 18171
2389 1 7 . 1 1 51 51 ASN N N 51 117.888 117.888 117.342 0.546 18171
2390 1 7 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.543 -0.128 18171
2391 1 7 . 1 1 51 51 ASN C C 51 177.863 177.863 177.435 0.428 18171
2392 1 7 . 1 1 51 51 ASN CA C 51 56.168 56.168 56.075 0.093 18171
2393 1 7 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.577 -0.268 18171
2394 1 7 . 1 1 51 51 ASN H H 51 8.886 8.886 8.585 0.301 18171
2395 1 7 . 1 1 52 52 LYS N N 52 120.120 120.120 121.235 -1.115 18171
2396 1 7 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.067 0.043 18171
2397 1 7 . 1 1 52 52 LYS C C 52 179.002 179.002 178.576 0.426 18171
2398 1 7 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.188 -0.214 18171
2399 1 7 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.300 -0.245 18171
2400 1 7 . 1 1 52 52 LYS H H 52 7.760 7.760 7.445 0.315 18171
2401 1 7 . 1 1 53 53 ILE N N 53 117.988 117.988 119.980 -1.992 18171
2402 1 7 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.651 0.106 18171
2403 1 7 . 1 1 53 53 ILE C C 53 177.686 177.686 177.798 -0.112 18171
2404 1 7 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.682 0.359 18171
2405 1 7 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.830 -0.163 18171
2406 1 7 . 1 1 53 53 ILE H H 53 8.400 8.400 8.270 0.130 18171
2407 1 7 . 1 1 54 54 SER N N 54 114.267 114.267 114.159 0.108 18171
2408 1 7 . 1 1 54 54 SER HA H 54 4.050 4.050 4.550 -0.500 18171
2409 1 7 . 1 1 54 54 SER C C 54 175.690 175.690 176.561 -0.871 18171
2410 1 7 . 1 1 54 54 SER CA C 54 61.417 61.417 60.650 0.767 18171
2411 1 7 . 1 1 54 54 SER CB C 54 62.922 62.922 63.293 -0.371 18171
2412 1 7 . 1 1 54 54 SER H H 54 8.042 8.042 7.741 0.301 18171
2413 1 7 . 1 1 55 55 GLN N N 55 118.045 118.045 120.373 -2.328 18171
2414 1 7 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.051 0.089 18171
2415 1 7 . 1 1 55 55 GLN C C 55 177.193 177.193 178.022 -0.829 18171
2416 1 7 . 1 1 55 55 GLN CA C 55 57.082 57.082 58.329 -1.247 18171
2417 1 7 . 1 1 55 55 GLN CB C 55 28.720 28.720 28.853 -0.133 18171
2418 1 7 . 1 1 55 55 GLN H H 55 7.415 7.415 7.538 -0.123 18171
2419 1 7 . 1 1 56 56 LEU N N 56 118.492 118.492 117.142 1.350 18171
2420 1 7 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.103 -0.070 18171
2421 1 7 . 1 1 56 56 LEU C C 56 176.578 176.578 176.355 0.223 18171
2422 1 7 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.105 -0.200 18171
2423 1 7 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.447 0.102 18171
2424 1 7 . 1 1 56 56 LEU H H 56 7.732 7.732 7.758 -0.026 18171
2425 1 7 . 1 1 57 57 PHE N N 57 116.774 116.774 116.136 0.638 18171
2426 1 7 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.933 -0.041 18171
2427 1 7 . 1 1 57 57 PHE C C 57 173.125 173.125 173.204 -0.079 18171
2428 1 7 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.403 1.808 18171
2429 1 7 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.220 0.803 18171
2430 1 7 . 1 1 57 57 PHE H H 57 7.629 7.629 7.335 0.294 18171
2431 1 7 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.353 0.127 18171
2432 1 7 . 1 1 58 58 PRO C C 58 178.090 178.090 177.720 0.370 18171
2433 1 7 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.917 0.055 18171
2434 1 7 . 1 1 58 58 PRO CB C 58 30.927 30.927 30.623 0.304 18171
2435 1 7 . 1 1 59 59 GLY N N 59 108.335 108.335 113.748 -5.413 18171
2436 1 7 . 1 1 59 59 GLY C C 59 174.930 174.930 173.465 1.465 18171
2437 1 7 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.077 0.307 18171
2438 1 7 . 1 1 59 59 GLY H H 59 8.411 8.411 8.462 -0.051 18171
2439 1 7 . 1 1 60 60 MET N N 60 119.206 119.206 121.018 -1.812 18171
2440 1 7 . 1 1 60 60 MET HA H 60 4.467 4.467 4.761 -0.294 18171
2441 1 7 . 1 1 60 60 MET C C 60 176.320 176.320 175.858 0.462 18171
2442 1 7 . 1 1 60 60 MET CA C 60 56.395 56.395 56.033 0.362 18171
2443 1 7 . 1 1 60 60 MET CB C 60 32.964 32.964 33.584 -0.620 18171
2444 1 7 . 1 1 60 60 MET H H 60 8.053 8.053 8.238 -0.185 18171
2445 1 7 . 1 1 61 61 THR N N 61 111.041 111.041 118.257 -7.216 18171
2446 1 7 . 1 1 61 61 THR HA H 61 4.402 4.402 4.273 0.129 18171
2447 1 7 . 1 1 61 61 THR C C 61 173.976 173.976 175.703 -1.727 18171
2448 1 7 . 1 1 61 61 THR CA C 61 61.233 61.233 62.622 -1.389 18171
2449 1 7 . 1 1 61 61 THR CB C 61 70.120 70.120 68.826 1.294 18171
2450 1 7 . 1 1 61 61 THR H H 61 7.880 7.880 8.202 -0.322 18171
2451 1 8 . 1 1 2 2 GLU N N 2 115.081 115.081 121.699 -6.618 18171
2452 1 8 . 1 1 2 2 GLU HA H 2 3.860 3.860 3.991 -0.131 18171
2453 1 8 . 1 1 2 2 GLU C C 2 179.259 179.259 178.502 0.757 18171
2454 1 8 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.444 0.916 18171
2455 1 8 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.837 -1.111 18171
2456 1 8 . 1 1 2 2 GLU H H 2 8.756 8.756 8.730 0.026 18171
2457 1 8 . 1 1 3 3 GLU N N 3 120.051 120.051 119.890 0.161 18171
2458 1 8 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.099 -0.083 18171
2459 1 8 . 1 1 3 3 GLU C C 3 178.863 178.863 179.099 -0.236 18171
2460 1 8 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.470 -0.464 18171
2461 1 8 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.677 0.688 18171
2462 1 8 . 1 1 3 3 GLU H H 3 7.722 7.722 8.370 -0.648 18171
2463 1 8 . 1 1 4 4 VAL N N 4 120.223 120.223 119.345 0.878 18171
2464 1 8 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.842 -0.333 18171
2465 1 8 . 1 1 4 4 VAL C C 4 177.687 177.687 177.401 0.286 18171
2466 1 8 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.258 1.409 18171
2467 1 8 . 1 1 4 4 VAL CB C 4 31.541 31.541 32.072 -0.531 18171
2468 1 8 . 1 1 4 4 VAL H H 4 7.815 7.815 7.898 -0.083 18171
2469 1 8 . 1 1 5 5 ILE N N 5 118.475 118.475 118.883 -0.408 18171
2470 1 8 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.571 -0.071 18171
2471 1 8 . 1 1 5 5 ILE C C 5 177.638 177.638 177.464 0.174 18171
2472 1 8 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.866 -0.505 18171
2473 1 8 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.411 -0.275 18171
2474 1 8 . 1 1 5 5 ILE H H 5 8.293 8.293 8.306 -0.013 18171
2475 1 8 . 1 1 6 6 SER N N 6 113.327 113.327 114.553 -1.226 18171
2476 1 8 . 1 1 6 6 SER HA H 6 4.034 4.034 4.223 -0.189 18171
2477 1 8 . 1 1 6 6 SER C C 6 176.398 176.398 176.383 0.015 18171
2478 1 8 . 1 1 6 6 SER CA C 6 61.781 61.781 61.255 0.526 18171
2479 1 8 . 1 1 6 6 SER CB C 6 62.770 62.770 63.041 -0.271 18171
2480 1 8 . 1 1 6 6 SER H H 6 7.740 7.740 7.821 -0.081 18171
2481 1 8 . 1 1 7 7 LYS N N 7 119.755 119.755 122.853 -3.098 18171
2482 1 8 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.202 -0.059 18171
2483 1 8 . 1 1 7 7 LYS C C 7 179.622 179.622 178.593 1.029 18171
2484 1 8 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.458 -0.452 18171
2485 1 8 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.943 -0.201 18171
2486 1 8 . 1 1 7 7 LYS H H 7 7.523 7.523 7.930 -0.407 18171
2487 1 8 . 1 1 8 8 ILE N N 8 119.544 119.544 120.338 -0.794 18171
2488 1 8 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.886 -0.243 18171
2489 1 8 . 1 1 8 8 ILE C C 8 177.510 177.510 177.216 0.294 18171
2490 1 8 . 1 1 8 8 ILE CA C 8 65.180 65.180 62.804 2.376 18171
2491 1 8 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.223 1.238 18171
2492 1 8 . 1 1 8 8 ILE H H 8 8.132 8.132 7.908 0.224 18171
2493 1 8 . 1 1 9 9 MET N N 9 114.616 114.616 115.985 -1.369 18171
2494 1 8 . 1 1 9 9 MET HA H 9 4.104 4.104 4.142 -0.038 18171
2495 1 8 . 1 1 9 9 MET C C 9 177.018 177.018 176.777 0.241 18171
2496 1 8 . 1 1 9 9 MET CA C 9 56.601 56.601 57.618 -1.017 18171
2497 1 8 . 1 1 9 9 MET CB C 9 31.479 31.479 31.740 -0.261 18171
2498 1 8 . 1 1 9 9 MET H H 9 7.835 7.835 7.369 0.466 18171
2499 1 8 . 1 1 10 10 GLU N N 10 116.206 116.206 117.965 -1.759 18171
2500 1 8 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.074 0.078 18171
2501 1 8 . 1 1 10 10 GLU C C 10 176.263 176.263 176.920 -0.657 18171
2502 1 8 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.359 -0.276 18171
2503 1 8 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.561 0.449 18171
2504 1 8 . 1 1 10 10 GLU H H 10 7.318 7.318 7.880 -0.562 18171
2505 1 8 . 1 1 11 11 ASN N N 11 119.007 119.007 116.710 2.297 18171
2506 1 8 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.051 0.090 18171
2507 1 8 . 1 1 11 11 ASN C C 11 173.093 173.093 173.188 -0.095 18171
2508 1 8 . 1 1 11 11 ASN CA C 11 50.709 50.709 52.027 -1.318 18171
2509 1 8 . 1 1 11 11 ASN CB C 11 40.100 40.100 39.649 0.451 18171
2510 1 8 . 1 1 11 11 ASN H H 11 7.707 7.707 7.739 -0.032 18171
2511 1 8 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.091 0.192 18171
2512 1 8 . 1 1 12 12 PRO C C 12 177.932 177.932 177.166 0.766 18171
2513 1 8 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.196 0.032 18171
2514 1 8 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.975 0.033 18171
2515 1 8 . 1 1 13 13 ASP N N 13 116.410 116.410 117.444 -1.034 18171
2516 1 8 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.505 -0.080 18171
2517 1 8 . 1 1 13 13 ASP C C 13 178.456 178.456 178.581 -0.125 18171
2518 1 8 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.112 -0.303 18171
2519 1 8 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.801 -0.862 18171
2520 1 8 . 1 1 13 13 ASP H H 13 8.218 8.218 8.540 -0.322 18171
2521 1 8 . 1 1 14 14 VAL N N 14 120.053 120.053 120.495 -0.442 18171
2522 1 8 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.795 -0.013 18171
2523 1 8 . 1 1 14 14 VAL C C 14 177.045 177.045 177.507 -0.462 18171
2524 1 8 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.504 -1.154 18171
2525 1 8 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.765 -0.004 18171
2526 1 8 . 1 1 14 14 VAL H H 14 7.722 7.722 8.201 -0.479 18171
2527 1 8 . 1 1 15 15 ALA N N 15 121.814 121.814 122.833 -1.019 18171
2528 1 8 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.785 0.137 18171
2529 1 8 . 1 1 15 15 ALA C C 15 180.315 180.315 179.374 0.941 18171
2530 1 8 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.209 0.445 18171
2531 1 8 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.286 -0.109 18171
2532 1 8 . 1 1 15 15 ALA H H 15 8.245 8.245 7.553 0.692 18171
2533 1 8 . 1 1 16 16 MET N N 16 114.438 114.438 116.754 -2.316 18171
2534 1 8 . 1 1 16 16 MET HA H 16 4.234 4.234 4.487 -0.253 18171
2535 1 8 . 1 1 16 16 MET C C 16 178.930 178.930 179.088 -0.158 18171
2536 1 8 . 1 1 16 16 MET CA C 16 58.011 58.011 56.482 1.529 18171
2537 1 8 . 1 1 16 16 MET CB C 16 32.027 32.027 32.247 -0.220 18171
2538 1 8 . 1 1 16 16 MET H H 16 7.878 7.878 7.838 0.040 18171
2539 1 8 . 1 1 17 17 ALA N N 17 123.280 123.280 123.554 -0.274 18171
2540 1 8 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.206 -0.028 18171
2541 1 8 . 1 1 17 17 ALA C C 17 179.091 179.091 179.844 -0.753 18171
2542 1 8 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.950 -0.388 18171
2543 1 8 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.046 0.345 18171
2544 1 8 . 1 1 17 17 ALA H H 17 7.647 7.647 7.936 -0.289 18171
2545 1 8 . 1 1 18 18 PHE N N 18 114.808 114.808 116.291 -1.483 18171
2546 1 8 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.263 -0.145 18171
2547 1 8 . 1 1 18 18 PHE C C 18 175.169 175.169 176.670 -1.501 18171
2548 1 8 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.397 -0.963 18171
2549 1 8 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.703 0.340 18171
2550 1 8 . 1 1 18 18 PHE H H 18 8.032 8.032 8.695 -0.663 18171
2551 1 8 . 1 1 19 19 GLN N N 19 114.221 114.221 116.909 -2.688 18171
2552 1 8 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.316 -0.249 18171
2553 1 8 . 1 1 19 19 GLN C C 19 175.843 175.843 175.631 0.212 18171
2554 1 8 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.749 0.397 18171
2555 1 8 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.677 -0.057 18171
2556 1 8 . 1 1 19 19 GLN H H 19 7.414 7.414 7.588 -0.173 18171
2557 1 8 . 1 1 20 20 ASN N N 20 119.994 119.994 119.300 0.694 18171
2558 1 8 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.173 -0.290 18171
2559 1 8 . 1 1 20 20 ASN C C 20 174.726 174.726 173.967 0.759 18171
2560 1 8 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.471 0.130 18171
2561 1 8 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.440 -1.183 18171
2562 1 8 . 1 1 20 20 ASN H H 20 7.497 7.497 7.870 -0.373 18171
2563 1 8 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.384 -0.195 18171
2564 1 8 . 1 1 21 21 PRO C C 21 178.747 178.747 178.521 0.226 18171
2565 1 8 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.722 -0.676 18171
2566 1 8 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.165 -0.044 18171
2567 1 8 . 1 1 22 22 ARG N N 22 117.899 117.899 118.830 -0.931 18171
2568 1 8 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.002 0.091 18171
2569 1 8 . 1 1 22 22 ARG C C 22 178.827 178.827 178.545 0.282 18171
2570 1 8 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.847 0.139 18171
2571 1 8 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.195 1.236 18171
2572 1 8 . 1 1 22 22 ARG H H 22 8.066 8.066 8.669 -0.603 18171
2573 1 8 . 1 1 23 23 VAL N N 23 119.694 119.694 119.499 0.195 18171
2574 1 8 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.512 -0.128 18171
2575 1 8 . 1 1 23 23 VAL C C 23 177.319 177.319 177.419 -0.100 18171
2576 1 8 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.206 -0.458 18171
2577 1 8 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.395 0.126 18171
2578 1 8 . 1 1 23 23 VAL H H 23 7.199 7.199 7.561 -0.362 18171
2579 1 8 . 1 1 24 24 GLN N N 24 117.842 117.842 119.559 -1.717 18171
2580 1 8 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.734 -0.101 18171
2581 1 8 . 1 1 24 24 GLN C C 24 177.902 177.902 178.077 -0.175 18171
2582 1 8 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.151 0.518 18171
2583 1 8 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.585 -0.565 18171
2584 1 8 . 1 1 24 24 GLN H H 24 7.790 7.790 8.027 -0.237 18171
2585 1 8 . 1 1 25 25 ALA N N 25 119.267 119.267 120.345 -1.078 18171
2586 1 8 . 1 1 25 25 ALA HA H 25 4.046 4.046 3.988 0.058 18171
2587 1 8 . 1 1 25 25 ALA C C 25 179.854 179.854 178.675 1.179 18171
2588 1 8 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.681 0.365 18171
2589 1 8 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.231 -0.407 18171
2590 1 8 . 1 1 25 25 ALA H H 25 7.808 7.808 8.438 -0.629 18171
2591 1 8 . 1 1 26 26 ALA N N 26 120.738 120.738 122.147 -1.409 18171
2592 1 8 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.611 0.310 18171
2593 1 8 . 1 1 26 26 ALA C C 26 179.988 179.988 179.690 0.298 18171
2594 1 8 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.385 0.814 18171
2595 1 8 . 1 1 26 26 ALA CB C 26 18.171 18.171 17.651 0.520 18171
2596 1 8 . 1 1 26 26 ALA H H 26 7.500 7.500 7.381 0.119 18171
2597 1 8 . 1 1 27 27 LEU N N 27 118.511 118.511 119.213 -0.702 18171
2598 1 8 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.138 -0.225 18171
2599 1 8 . 1 1 27 27 LEU C C 27 179.923 179.923 178.970 0.953 18171
2600 1 8 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.750 0.309 18171
2601 1 8 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.918 -0.990 18171
2602 1 8 . 1 1 27 27 LEU H H 27 8.324 8.324 8.059 0.265 18171
2603 1 8 . 1 1 28 28 MET N N 28 118.681 118.681 118.698 -0.017 18171
2604 1 8 . 1 1 28 28 MET HA H 28 4.144 4.144 4.027 0.117 18171
2605 1 8 . 1 1 28 28 MET C C 28 179.635 179.635 178.106 1.529 18171
2606 1 8 . 1 1 28 28 MET CA C 28 58.734 58.734 58.206 0.528 18171
2607 1 8 . 1 1 28 28 MET CB C 28 31.901 31.901 32.283 -0.383 18171
2608 1 8 . 1 1 28 28 MET H H 28 8.127 8.127 8.422 -0.295 18171
2609 1 8 . 1 1 29 29 GLU N N 29 119.813 119.813 119.248 0.565 18171
2610 1 8 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.204 0.022 18171
2611 1 8 . 1 1 29 29 GLU C C 29 180.544 180.544 179.305 1.239 18171
2612 1 8 . 1 1 29 29 GLU CA C 29 59.696 59.696 59.138 0.558 18171
2613 1 8 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.105 0.572 18171
2614 1 8 . 1 1 29 29 GLU H H 29 8.302 8.302 8.353 -0.051 18171
2615 1 8 . 1 1 30 30 CYS N N 30 118.465 118.465 119.501 -1.036 18171
2616 1 8 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.297 0.156 18171
2617 1 8 . 1 1 30 30 CYS C C 30 175.357 175.357 175.892 -0.535 18171
2618 1 8 . 1 1 30 30 CYS CA C 30 62.482 62.482 61.810 0.672 18171
2619 1 8 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.211 -0.421 18171
2620 1 8 . 1 1 30 30 CYS H H 30 8.465 8.465 8.061 0.404 18171
2621 1 8 . 1 1 31 31 SER N N 31 114.366 114.366 114.554 -0.188 18171
2622 1 8 . 1 1 31 31 SER HA H 31 4.174 4.174 4.183 -0.009 18171
2623 1 8 . 1 1 31 31 SER C C 31 175.371 175.371 176.132 -0.761 18171
2624 1 8 . 1 1 31 31 SER CA C 31 60.932 60.932 60.979 -0.047 18171
2625 1 8 . 1 1 31 31 SER CB C 31 62.749 62.749 63.027 -0.278 18171
2626 1 8 . 1 1 31 31 SER H H 31 7.859 7.859 7.748 0.111 18171
2627 1 8 . 1 1 32 32 GLU N N 32 119.996 119.996 121.238 -1.242 18171
2628 1 8 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.229 -0.025 18171
2629 1 8 . 1 1 32 32 GLU C C 32 176.983 176.983 176.541 0.442 18171
2630 1 8 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.386 -0.414 18171
2631 1 8 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.508 -0.431 18171
2632 1 8 . 1 1 32 32 GLU H H 32 7.254 7.254 8.223 -0.969 18171
2633 1 8 . 1 1 33 33 ASN N N 33 113.026 113.026 112.098 0.928 18171
2634 1 8 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.890 0.083 18171
2635 1 8 . 1 1 33 33 ASN C C 33 173.504 173.504 173.122 0.382 18171
2636 1 8 . 1 1 33 33 ASN CA C 33 50.736 50.736 51.884 -1.148 18171
2637 1 8 . 1 1 33 33 ASN CB C 33 39.485 39.485 36.842 2.643 18171
2638 1 8 . 1 1 33 33 ASN H H 33 7.370 7.370 7.708 -0.338 18171
2639 1 8 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.223 0.351 18171
2640 1 8 . 1 1 34 34 PRO C C 34 178.270 178.270 177.222 1.048 18171
2641 1 8 . 1 1 34 34 PRO CA C 34 64.827 64.827 65.117 -0.290 18171
2642 1 8 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.721 0.033 18171
2643 1 8 . 1 1 35 35 MET N N 35 115.258 115.258 115.701 -0.443 18171
2644 1 8 . 1 1 35 35 MET HA H 35 4.330 4.330 4.250 0.080 18171
2645 1 8 . 1 1 35 35 MET C C 35 178.569 178.569 176.715 1.854 18171
2646 1 8 . 1 1 35 35 MET CA C 35 57.050 57.050 55.870 1.180 18171
2647 1 8 . 1 1 35 35 MET CB C 35 31.300 31.300 31.630 -0.330 18171
2648 1 8 . 1 1 35 35 MET H H 35 7.962 7.962 7.979 -0.017 18171
2649 1 8 . 1 1 36 36 ASN N N 36 117.357 117.357 118.885 -1.528 18171
2650 1 8 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.353 0.220 18171
2651 1 8 . 1 1 36 36 ASN C C 36 176.470 176.470 177.322 -0.852 18171
2652 1 8 . 1 1 36 36 ASN CA C 36 55.126 55.126 56.091 -0.965 18171
2653 1 8 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.620 0.822 18171
2654 1 8 . 1 1 36 36 ASN H H 36 8.462 8.462 8.417 0.045 18171
2655 1 8 . 1 1 37 37 ILE N N 37 121.622 121.622 121.071 0.551 18171
2656 1 8 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.866 0.244 18171
2657 1 8 . 1 1 37 37 ILE C C 37 177.331 177.331 176.961 0.370 18171
2658 1 8 . 1 1 37 37 ILE CA C 37 62.588 62.588 63.142 -0.554 18171
2659 1 8 . 1 1 37 37 ILE CB C 37 38.015 38.015 38.091 -0.076 18171
2660 1 8 . 1 1 37 37 ILE H H 37 7.820 7.820 7.504 0.316 18171
2661 1 8 . 1 1 38 38 MET N N 38 118.071 118.071 116.516 1.555 18171
2662 1 8 . 1 1 38 38 MET HA H 38 4.174 4.174 4.125 0.049 18171
2663 1 8 . 1 1 38 38 MET C C 38 178.456 178.456 177.538 0.918 18171
2664 1 8 . 1 1 38 38 MET CA C 38 57.563 57.563 57.316 0.247 18171
2665 1 8 . 1 1 38 38 MET CB C 38 31.533 31.533 31.449 0.084 18171
2666 1 8 . 1 1 38 38 MET H H 38 7.479 7.479 7.865 -0.386 18171
2667 1 8 . 1 1 39 39 LYS N N 39 117.427 117.427 118.330 -0.903 18171
2668 1 8 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.125 -0.178 18171
2669 1 8 . 1 1 39 39 LYS C C 39 177.456 177.456 178.510 -1.054 18171
2670 1 8 . 1 1 39 39 LYS CA C 39 58.012 58.012 57.817 0.195 18171
2671 1 8 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.378 -1.605 18171
2672 1 8 . 1 1 39 39 LYS H H 39 7.580 7.580 7.435 0.145 18171
2673 1 8 . 1 1 40 40 TYR N N 40 116.049 116.049 118.718 -2.669 18171
2674 1 8 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.292 0.238 18171
2675 1 8 . 1 1 40 40 TYR C C 40 175.635 175.635 178.057 -2.422 18171
2676 1 8 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.602 -0.204 18171
2677 1 8 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.513 2.977 18171
2678 1 8 . 1 1 40 40 TYR H H 40 7.651 7.651 7.372 0.279 18171
2679 1 8 . 1 1 41 41 GLN N N 41 116.626 116.626 119.933 -3.307 18171
2680 1 8 . 1 1 41 41 GLN HA H 41 4.333 4.333 4.073 0.260 18171
2681 1 8 . 1 1 41 41 GLN C C 41 175.887 175.887 176.804 -0.917 18171
2682 1 8 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.023 0.563 18171
2683 1 8 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.374 1.673 18171
2684 1 8 . 1 1 41 41 GLN H H 41 7.001 7.001 7.742 -0.741 18171
2685 1 8 . 1 1 42 42 ASN N N 42 114.491 114.491 115.426 -0.935 18171
2686 1 8 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.765 0.097 18171
2687 1 8 . 1 1 42 42 ASN C C 42 173.784 173.784 175.050 -1.266 18171
2688 1 8 . 1 1 42 42 ASN CA C 42 52.532 52.532 54.246 -1.714 18171
2689 1 8 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.160 -0.572 18171
2690 1 8 . 1 1 42 42 ASN H H 42 8.281 8.281 7.663 0.618 18171
2691 1 8 . 1 1 43 43 ASP N N 43 122.981 122.981 122.036 0.945 18171
2692 1 8 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.772 -0.017 18171
2693 1 8 . 1 1 43 43 ASP C C 43 174.773 174.773 176.224 -1.451 18171
2694 1 8 . 1 1 43 43 ASP CA C 43 52.607 52.607 52.868 -0.261 18171
2695 1 8 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.533 0.835 18171
2696 1 8 . 1 1 43 43 ASP H H 43 7.960 7.960 7.964 -0.004 18171
2697 1 8 . 1 1 44 44 LYS N N 44 125.893 125.893 125.420 0.473 18171
2698 1 8 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.864 -0.004 18171
2699 1 8 . 1 1 44 44 LYS C C 44 177.796 177.796 178.371 -0.575 18171
2700 1 8 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.937 -0.141 18171
2701 1 8 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.446 0.090 18171
2702 1 8 . 1 1 44 44 LYS H H 44 8.361 8.361 7.899 0.463 18171
2703 1 8 . 1 1 45 45 GLU N N 45 116.698 116.698 119.415 -2.717 18171
2704 1 8 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.105 -0.038 18171
2705 1 8 . 1 1 45 45 GLU C C 45 178.724 178.724 178.791 -0.067 18171
2706 1 8 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.418 0.037 18171
2707 1 8 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.154 0.603 18171
2708 1 8 . 1 1 45 45 GLU H H 45 8.127 8.127 7.906 0.221 18171
2709 1 8 . 1 1 46 46 VAL N N 46 117.476 117.476 119.948 -2.472 18171
2710 1 8 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.655 -0.241 18171
2711 1 8 . 1 1 46 46 VAL C C 46 177.879 177.879 178.180 -0.301 18171
2712 1 8 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.081 0.349 18171
2713 1 8 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.159 0.869 18171
2714 1 8 . 1 1 46 46 VAL H H 46 7.452 7.452 7.761 -0.309 18171
2715 1 8 . 1 1 47 47 MET N N 47 117.027 117.027 119.695 -2.668 18171
2716 1 8 . 1 1 47 47 MET HA H 47 4.479 4.479 4.131 0.348 18171
2717 1 8 . 1 1 47 47 MET C C 47 179.307 179.307 178.737 0.570 18171
2718 1 8 . 1 1 47 47 MET CA C 47 56.809 56.809 58.157 -1.349 18171
2719 1 8 . 1 1 47 47 MET CB C 47 30.371 30.371 31.126 -0.755 18171
2720 1 8 . 1 1 47 47 MET H H 47 8.542 8.542 8.087 0.455 18171
2721 1 8 . 1 1 48 48 ASP N N 48 119.811 119.811 119.684 0.127 18171
2722 1 8 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.429 0.063 18171
2723 1 8 . 1 1 48 48 ASP C C 48 179.136 179.136 179.303 -0.167 18171
2724 1 8 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.750 -0.179 18171
2725 1 8 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.945 -0.492 18171
2726 1 8 . 1 1 48 48 ASP H H 48 8.580 8.580 8.136 0.444 18171
2727 1 8 . 1 1 49 49 VAL N N 49 118.816 118.816 119.519 -0.703 18171
2728 1 8 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.814 -0.176 18171
2729 1 8 . 1 1 49 49 VAL C C 49 177.777 177.777 177.886 -0.109 18171
2730 1 8 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.534 -0.077 18171
2731 1 8 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.767 -0.701 18171
2732 1 8 . 1 1 49 49 VAL H H 49 7.319 7.319 7.569 -0.250 18171
2733 1 8 . 1 1 50 50 PHE N N 50 120.305 120.305 119.800 0.505 18171
2734 1 8 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.205 -0.069 18171
2735 1 8 . 1 1 50 50 PHE C C 50 178.505 178.505 178.277 0.228 18171
2736 1 8 . 1 1 50 50 PHE CA C 50 61.540 61.540 61.635 -0.095 18171
2737 1 8 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.381 -0.072 18171
2738 1 8 . 1 1 50 50 PHE H H 50 8.529 8.529 9.216 -0.687 18171
2739 1 8 . 1 1 51 51 ASN N N 51 117.888 117.888 117.616 0.272 18171
2740 1 8 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.517 -0.102 18171
2741 1 8 . 1 1 51 51 ASN C C 51 177.863 177.863 177.034 0.829 18171
2742 1 8 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.288 0.880 18171
2743 1 8 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.387 -0.078 18171
2744 1 8 . 1 1 51 51 ASN H H 51 8.886 8.886 8.830 0.056 18171
2745 1 8 . 1 1 52 52 LYS N N 52 120.120 120.120 120.815 -0.695 18171
2746 1 8 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.204 -0.094 18171
2747 1 8 . 1 1 52 52 LYS C C 52 179.002 179.002 178.783 0.219 18171
2748 1 8 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.309 -0.335 18171
2749 1 8 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.508 -0.453 18171
2750 1 8 . 1 1 52 52 LYS H H 52 7.760 7.760 7.205 0.555 18171
2751 1 8 . 1 1 53 53 ILE N N 53 117.988 117.988 119.827 -1.839 18171
2752 1 8 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.465 0.292 18171
2753 1 8 . 1 1 53 53 ILE C C 53 177.686 177.686 176.699 0.987 18171
2754 1 8 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.061 0.980 18171
2755 1 8 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.193 0.474 18171
2756 1 8 . 1 1 53 53 ILE H H 53 8.400 8.400 8.551 -0.151 18171
2757 1 8 . 1 1 54 54 SER N N 54 114.267 114.267 112.175 2.092 18171
2758 1 8 . 1 1 54 54 SER HA H 54 4.050 4.050 4.253 -0.203 18171
2759 1 8 . 1 1 54 54 SER C C 54 175.690 175.690 175.519 0.171 18171
2760 1 8 . 1 1 54 54 SER CA C 54 61.417 61.417 60.292 1.125 18171
2761 1 8 . 1 1 54 54 SER CB C 54 62.922 62.922 63.917 -0.995 18171
2762 1 8 . 1 1 54 54 SER H H 54 8.042 8.042 7.664 0.378 18171
2763 1 8 . 1 1 55 55 GLN N N 55 118.045 118.045 119.502 -1.457 18171
2764 1 8 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.314 -0.174 18171
2765 1 8 . 1 1 55 55 GLN C C 55 177.193 177.193 177.860 -0.667 18171
2766 1 8 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.917 -0.835 18171
2767 1 8 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.352 -0.632 18171
2768 1 8 . 1 1 55 55 GLN H H 55 7.415 7.415 7.553 -0.138 18171
2769 1 8 . 1 1 56 56 LEU N N 56 118.492 118.492 119.059 -0.567 18171
2770 1 8 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.215 -0.182 18171
2771 1 8 . 1 1 56 56 LEU C C 56 176.578 176.578 176.454 0.124 18171
2772 1 8 . 1 1 56 56 LEU CA C 56 55.905 55.905 55.950 -0.045 18171
2773 1 8 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.135 0.414 18171
2774 1 8 . 1 1 56 56 LEU H H 56 7.732 7.732 8.220 -0.488 18171
2775 1 8 . 1 1 57 57 PHE N N 57 116.774 116.774 115.678 1.096 18171
2776 1 8 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.973 -0.081 18171
2777 1 8 . 1 1 57 57 PHE C C 57 173.125 173.125 174.586 -1.461 18171
2778 1 8 . 1 1 57 57 PHE CA C 57 55.211 55.211 54.568 0.643 18171
2779 1 8 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.510 0.513 18171
2780 1 8 . 1 1 57 57 PHE H H 57 7.629 7.629 7.991 -0.362 18171
2781 1 8 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.265 0.215 18171
2782 1 8 . 1 1 58 58 PRO C C 58 178.090 178.090 177.206 0.884 18171
2783 1 8 . 1 1 58 58 PRO CA C 58 63.972 63.972 64.769 -0.797 18171
2784 1 8 . 1 1 58 58 PRO CB C 58 30.927 30.927 32.059 -1.132 18171
2785 1 8 . 1 1 59 59 GLY N N 59 108.335 108.335 102.948 5.387 18171
2786 1 8 . 1 1 59 59 GLY C C 59 174.930 174.930 173.316 1.614 18171
2787 1 8 . 1 1 59 59 GLY CA C 59 45.384 45.384 44.918 0.466 18171
2788 1 8 . 1 1 59 59 GLY H H 59 8.411 8.411 7.851 0.560 18171
2789 1 8 . 1 1 60 60 MET N N 60 119.206 119.206 118.776 0.430 18171
2790 1 8 . 1 1 60 60 MET HA H 60 4.467 4.467 4.299 0.168 18171
2791 1 8 . 1 1 60 60 MET C C 60 176.320 176.320 175.985 0.335 18171
2792 1 8 . 1 1 60 60 MET CA C 60 56.395 56.395 55.315 1.081 18171
2793 1 8 . 1 1 60 60 MET CB C 60 32.964 32.964 31.445 1.519 18171
2794 1 8 . 1 1 60 60 MET H H 60 8.053 8.053 7.965 0.088 18171
2795 1 8 . 1 1 61 61 THR N N 61 111.041 111.041 115.645 -4.604 18171
2796 1 8 . 1 1 61 61 THR HA H 61 4.402 4.402 4.306 0.096 18171
2797 1 8 . 1 1 61 61 THR C C 61 173.976 173.976 175.299 -1.323 18171
2798 1 8 . 1 1 61 61 THR CA C 61 61.233 61.233 62.593 -1.360 18171
2799 1 8 . 1 1 61 61 THR CB C 61 70.120 70.120 68.398 1.722 18171
2800 1 8 . 1 1 61 61 THR H H 61 7.880 7.880 8.254 -0.374 18171
2801 1 9 . 1 1 2 2 GLU N N 2 115.081 115.081 121.566 -6.485 18171
2802 1 9 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.061 -0.201 18171
2803 1 9 . 1 1 2 2 GLU C C 2 179.259 179.259 178.676 0.583 18171
2804 1 9 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.210 1.150 18171
2805 1 9 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.003 -0.277 18171
2806 1 9 . 1 1 2 2 GLU H H 2 8.756 8.756 8.984 -0.228 18171
2807 1 9 . 1 1 3 3 GLU N N 3 120.051 120.051 118.659 1.392 18171
2808 1 9 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.057 -0.041 18171
2809 1 9 . 1 1 3 3 GLU C C 3 178.863 178.863 178.609 0.254 18171
2810 1 9 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.395 -0.390 18171
2811 1 9 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.299 1.066 18171
2812 1 9 . 1 1 3 3 GLU H H 3 7.722 7.722 8.507 -0.785 18171
2813 1 9 . 1 1 4 4 VAL N N 4 120.223 120.223 119.554 0.669 18171
2814 1 9 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.717 -0.208 18171
2815 1 9 . 1 1 4 4 VAL C C 4 177.687 177.687 178.404 -0.717 18171
2816 1 9 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.594 1.073 18171
2817 1 9 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.857 -0.316 18171
2818 1 9 . 1 1 4 4 VAL H H 4 7.815 7.815 7.452 0.363 18171
2819 1 9 . 1 1 5 5 ILE N N 5 118.475 118.475 119.956 -1.481 18171
2820 1 9 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.585 -0.085 18171
2821 1 9 . 1 1 5 5 ILE C C 5 177.638 177.638 177.735 -0.097 18171
2822 1 9 . 1 1 5 5 ILE CA C 5 64.361 64.361 65.215 -0.854 18171
2823 1 9 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.134 0.002 18171
2824 1 9 . 1 1 5 5 ILE H H 5 8.293 8.293 8.242 0.051 18171
2825 1 9 . 1 1 6 6 SER N N 6 113.327 113.327 114.907 -1.580 18171
2826 1 9 . 1 1 6 6 SER HA H 6 4.034 4.034 4.224 -0.190 18171
2827 1 9 . 1 1 6 6 SER C C 6 176.398 176.398 176.148 0.250 18171
2828 1 9 . 1 1 6 6 SER CA C 6 61.781 61.781 61.052 0.729 18171
2829 1 9 . 1 1 6 6 SER CB C 6 62.770 62.770 62.994 -0.224 18171
2830 1 9 . 1 1 6 6 SER H H 6 7.740 7.740 7.811 -0.071 18171
2831 1 9 . 1 1 7 7 LYS N N 7 119.755 119.755 121.287 -1.532 18171
2832 1 9 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.130 0.013 18171
2833 1 9 . 1 1 7 7 LYS C C 7 179.622 179.622 178.785 0.837 18171
2834 1 9 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.410 -0.404 18171
2835 1 9 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.801 -0.059 18171
2836 1 9 . 1 1 7 7 LYS H H 7 7.523 7.523 7.836 -0.313 18171
2837 1 9 . 1 1 8 8 ILE N N 8 119.544 119.544 120.805 -1.261 18171
2838 1 9 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.600 0.043 18171
2839 1 9 . 1 1 8 8 ILE C C 8 177.510 177.510 177.056 0.454 18171
2840 1 9 . 1 1 8 8 ILE CA C 8 65.180 65.180 64.361 0.819 18171
2841 1 9 . 1 1 8 8 ILE CB C 8 37.461 37.461 37.805 -0.344 18171
2842 1 9 . 1 1 8 8 ILE H H 8 8.132 8.132 7.279 0.853 18171
2843 1 9 . 1 1 9 9 MET N N 9 114.616 114.616 118.177 -3.561 18171
2844 1 9 . 1 1 9 9 MET HA H 9 4.104 4.104 4.081 0.023 18171
2845 1 9 . 1 1 9 9 MET C C 9 177.018 177.018 176.743 0.275 18171
2846 1 9 . 1 1 9 9 MET CA C 9 56.601 56.601 57.447 -0.846 18171
2847 1 9 . 1 1 9 9 MET CB C 9 31.479 31.479 31.812 -0.333 18171
2848 1 9 . 1 1 9 9 MET H H 9 7.835 7.835 7.548 0.287 18171
2849 1 9 . 1 1 10 10 GLU N N 10 116.206 116.206 119.547 -3.341 18171
2850 1 9 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.099 0.053 18171
2851 1 9 . 1 1 10 10 GLU C C 10 176.263 176.263 177.254 -0.991 18171
2852 1 9 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.896 -0.813 18171
2853 1 9 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.756 0.254 18171
2854 1 9 . 1 1 10 10 GLU H H 10 7.318 7.318 7.726 -0.408 18171
2855 1 9 . 1 1 11 11 ASN N N 11 119.007 119.007 119.319 -0.312 18171
2856 1 9 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.142 -0.001 18171
2857 1 9 . 1 1 11 11 ASN C C 11 173.093 173.093 173.467 -0.374 18171
2858 1 9 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.004 0.705 18171
2859 1 9 . 1 1 11 11 ASN CB C 11 40.100 40.100 38.844 1.256 18171
2860 1 9 . 1 1 11 11 ASN H H 11 7.707 7.707 7.725 -0.018 18171
2861 1 9 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.067 0.216 18171
2862 1 9 . 1 1 12 12 PRO C C 12 177.932 177.932 177.707 0.225 18171
2863 1 9 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.249 -0.021 18171
2864 1 9 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.727 0.281 18171
2865 1 9 . 1 1 13 13 ASP N N 13 116.410 116.410 117.003 -0.593 18171
2866 1 9 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.481 -0.056 18171
2867 1 9 . 1 1 13 13 ASP C C 13 178.456 178.456 178.474 -0.018 18171
2868 1 9 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.090 -0.281 18171
2869 1 9 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.791 -0.852 18171
2870 1 9 . 1 1 13 13 ASP H H 13 8.218 8.218 8.436 -0.218 18171
2871 1 9 . 1 1 14 14 VAL N N 14 120.053 120.053 120.254 -0.201 18171
2872 1 9 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.863 -0.081 18171
2873 1 9 . 1 1 14 14 VAL C C 14 177.045 177.045 177.907 -0.862 18171
2874 1 9 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.272 -0.922 18171
2875 1 9 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.127 0.634 18171
2876 1 9 . 1 1 14 14 VAL H H 14 7.722 7.722 8.191 -0.469 18171
2877 1 9 . 1 1 15 15 ALA N N 15 121.814 121.814 123.093 -1.279 18171
2878 1 9 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.799 0.123 18171
2879 1 9 . 1 1 15 15 ALA C C 15 180.315 180.315 179.507 0.808 18171
2880 1 9 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.241 0.413 18171
2881 1 9 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.231 -0.054 18171
2882 1 9 . 1 1 15 15 ALA H H 15 8.245 8.245 7.736 0.509 18171
2883 1 9 . 1 1 16 16 MET N N 16 114.438 114.438 116.031 -1.593 18171
2884 1 9 . 1 1 16 16 MET HA H 16 4.234 4.234 4.598 -0.364 18171
2885 1 9 . 1 1 16 16 MET C C 16 178.930 178.930 179.210 -0.280 18171
2886 1 9 . 1 1 16 16 MET CA C 16 58.011 58.011 56.988 1.023 18171
2887 1 9 . 1 1 16 16 MET CB C 16 32.027 32.027 32.226 -0.199 18171
2888 1 9 . 1 1 16 16 MET H H 16 7.878 7.878 7.824 0.054 18171
2889 1 9 . 1 1 17 17 ALA N N 17 123.280 123.280 123.815 -0.535 18171
2890 1 9 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.189 -0.011 18171
2891 1 9 . 1 1 17 17 ALA C C 17 179.091 179.091 179.761 -0.670 18171
2892 1 9 . 1 1 17 17 ALA CA C 17 54.563 54.563 55.008 -0.445 18171
2893 1 9 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.057 0.334 18171
2894 1 9 . 1 1 17 17 ALA H H 17 7.647 7.647 7.991 -0.344 18171
2895 1 9 . 1 1 18 18 PHE N N 18 114.808 114.808 115.829 -1.021 18171
2896 1 9 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.219 -0.101 18171
2897 1 9 . 1 1 18 18 PHE C C 18 175.169 175.169 176.454 -1.285 18171
2898 1 9 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.606 -1.172 18171
2899 1 9 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.654 0.389 18171
2900 1 9 . 1 1 18 18 PHE H H 18 8.032 8.032 8.579 -0.547 18171
2901 1 9 . 1 1 19 19 GLN N N 19 114.221 114.221 117.112 -2.891 18171
2902 1 9 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.355 -0.288 18171
2903 1 9 . 1 1 19 19 GLN C C 19 175.843 175.843 175.486 0.357 18171
2904 1 9 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.519 0.628 18171
2905 1 9 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.767 -0.147 18171
2906 1 9 . 1 1 19 19 GLN H H 19 7.414 7.414 7.600 -0.186 18171
2907 1 9 . 1 1 20 20 ASN N N 20 119.994 119.994 119.378 0.616 18171
2908 1 9 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.194 -0.311 18171
2909 1 9 . 1 1 20 20 ASN C C 20 174.726 174.726 174.022 0.704 18171
2910 1 9 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.365 0.236 18171
2911 1 9 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.584 -1.327 18171
2912 1 9 . 1 1 20 20 ASN H H 20 7.497 7.497 7.983 -0.486 18171
2913 1 9 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.355 -0.166 18171
2914 1 9 . 1 1 21 21 PRO C C 21 178.747 178.747 178.169 0.578 18171
2915 1 9 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.688 -0.642 18171
2916 1 9 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.058 0.063 18171
2917 1 9 . 1 1 22 22 ARG N N 22 117.899 117.899 118.624 -0.725 18171
2918 1 9 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.052 0.041 18171
2919 1 9 . 1 1 22 22 ARG C C 22 178.827 178.827 178.565 0.262 18171
2920 1 9 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.395 0.591 18171
2921 1 9 . 1 1 22 22 ARG CB C 22 30.431 30.431 28.913 1.518 18171
2922 1 9 . 1 1 22 22 ARG H H 22 8.066 8.066 8.782 -0.716 18171
2923 1 9 . 1 1 23 23 VAL N N 23 119.694 119.694 120.399 -0.705 18171
2924 1 9 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.635 -0.251 18171
2925 1 9 . 1 1 23 23 VAL C C 23 177.319 177.319 177.605 -0.286 18171
2926 1 9 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.340 -0.592 18171
2927 1 9 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.271 0.250 18171
2928 1 9 . 1 1 23 23 VAL H H 23 7.199 7.199 7.490 -0.291 18171
2929 1 9 . 1 1 24 24 GLN N N 24 117.842 117.842 119.619 -1.777 18171
2930 1 9 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.773 -0.140 18171
2931 1 9 . 1 1 24 24 GLN C C 24 177.902 177.902 178.170 -0.268 18171
2932 1 9 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.236 0.433 18171
2933 1 9 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.598 -0.578 18171
2934 1 9 . 1 1 24 24 GLN H H 24 7.790 7.790 8.177 -0.387 18171
2935 1 9 . 1 1 25 25 ALA N N 25 119.267 119.267 120.806 -1.539 18171
2936 1 9 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.140 -0.094 18171
2937 1 9 . 1 1 25 25 ALA C C 25 179.854 179.854 179.225 0.629 18171
2938 1 9 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.494 0.552 18171
2939 1 9 . 1 1 25 25 ALA CB C 25 17.824 17.824 17.980 -0.156 18171
2940 1 9 . 1 1 25 25 ALA H H 25 7.808 7.808 8.350 -0.542 18171
2941 1 9 . 1 1 26 26 ALA N N 26 120.738 120.738 122.364 -1.626 18171
2942 1 9 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.712 0.209 18171
2943 1 9 . 1 1 26 26 ALA C C 26 179.988 179.988 179.642 0.346 18171
2944 1 9 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.518 0.681 18171
2945 1 9 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.349 -0.178 18171
2946 1 9 . 1 1 26 26 ALA H H 26 7.500 7.500 7.451 0.049 18171
2947 1 9 . 1 1 27 27 LEU N N 27 118.511 118.511 119.083 -0.572 18171
2948 1 9 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.132 -0.219 18171
2949 1 9 . 1 1 27 27 LEU C C 27 179.923 179.923 178.996 0.927 18171
2950 1 9 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.720 0.339 18171
2951 1 9 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.876 -0.948 18171
2952 1 9 . 1 1 27 27 LEU H H 27 8.324 8.324 8.566 -0.242 18171
2953 1 9 . 1 1 28 28 MET N N 28 118.681 118.681 117.923 0.758 18171
2954 1 9 . 1 1 28 28 MET HA H 28 4.144 4.144 4.092 0.052 18171
2955 1 9 . 1 1 28 28 MET C C 28 179.635 179.635 178.410 1.225 18171
2956 1 9 . 1 1 28 28 MET CA C 28 58.734 58.734 58.070 0.664 18171
2957 1 9 . 1 1 28 28 MET CB C 28 31.901 31.901 32.277 -0.376 18171
2958 1 9 . 1 1 28 28 MET H H 28 8.127 8.127 8.207 -0.080 18171
2959 1 9 . 1 1 29 29 GLU N N 29 119.813 119.813 118.358 1.455 18171
2960 1 9 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.146 0.080 18171
2961 1 9 . 1 1 29 29 GLU C C 29 180.544 180.544 179.009 1.535 18171
2962 1 9 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.668 1.028 18171
2963 1 9 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.902 -0.225 18171
2964 1 9 . 1 1 29 29 GLU H H 29 8.302 8.302 8.227 0.075 18171
2965 1 9 . 1 1 30 30 CYS N N 30 118.465 118.465 119.684 -1.219 18171
2966 1 9 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.494 -0.041 18171
2967 1 9 . 1 1 30 30 CYS C C 30 175.357 175.357 176.043 -0.686 18171
2968 1 9 . 1 1 30 30 CYS CA C 30 62.482 62.482 61.853 0.629 18171
2969 1 9 . 1 1 30 30 CYS CB C 30 26.790 26.790 26.870 -0.080 18171
2970 1 9 . 1 1 30 30 CYS H H 30 8.465 8.465 8.139 0.326 18171
2971 1 9 . 1 1 31 31 SER N N 31 114.366 114.366 114.679 -0.313 18171
2972 1 9 . 1 1 31 31 SER HA H 31 4.174 4.174 4.220 -0.046 18171
2973 1 9 . 1 1 31 31 SER C C 31 175.371 175.371 176.160 -0.789 18171
2974 1 9 . 1 1 31 31 SER CA C 31 60.932 60.932 60.927 0.005 18171
2975 1 9 . 1 1 31 31 SER CB C 31 62.749 62.749 62.830 -0.081 18171
2976 1 9 . 1 1 31 31 SER H H 31 7.859 7.859 7.744 0.115 18171
2977 1 9 . 1 1 32 32 GLU N N 32 119.996 119.996 121.332 -1.336 18171
2978 1 9 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.210 -0.006 18171
2979 1 9 . 1 1 32 32 GLU C C 32 176.983 176.983 176.977 0.006 18171
2980 1 9 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.344 -0.372 18171
2981 1 9 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.405 -0.328 18171
2982 1 9 . 1 1 32 32 GLU H H 32 7.254 7.254 8.000 -0.746 18171
2983 1 9 . 1 1 33 33 ASN N N 33 113.026 113.026 112.374 0.652 18171
2984 1 9 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.847 0.126 18171
2985 1 9 . 1 1 33 33 ASN C C 33 173.504 173.504 173.079 0.425 18171
2986 1 9 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.451 -1.715 18171
2987 1 9 . 1 1 33 33 ASN CB C 33 39.485 39.485 39.685 -0.200 18171
2988 1 9 . 1 1 33 33 ASN H H 33 7.370 7.370 7.534 -0.164 18171
2989 1 9 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.334 0.240 18171
2990 1 9 . 1 1 34 34 PRO C C 34 178.270 178.270 177.246 1.024 18171
2991 1 9 . 1 1 34 34 PRO CA C 34 64.827 64.827 65.009 -0.182 18171
2992 1 9 . 1 1 34 34 PRO CB C 34 31.754 31.754 32.026 -0.273 18171
2993 1 9 . 1 1 35 35 MET N N 35 115.258 115.258 113.070 2.188 18171
2994 1 9 . 1 1 35 35 MET HA H 35 4.330 4.330 4.217 0.113 18171
2995 1 9 . 1 1 35 35 MET C C 35 178.569 178.569 176.648 1.921 18171
2996 1 9 . 1 1 35 35 MET CA C 35 57.050 57.050 56.732 0.318 18171
2997 1 9 . 1 1 35 35 MET CB C 35 31.300 31.300 31.007 0.293 18171
2998 1 9 . 1 1 35 35 MET H H 35 7.962 7.962 7.787 0.175 18171
2999 1 9 . 1 1 36 36 ASN N N 36 117.357 117.357 118.504 -1.147 18171
3000 1 9 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.581 -0.008 18171
3001 1 9 . 1 1 36 36 ASN C C 36 176.470 176.470 177.687 -1.217 18171
3002 1 9 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.411 -0.285 18171
3003 1 9 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.673 0.769 18171
3004 1 9 . 1 1 36 36 ASN H H 36 8.462 8.462 8.105 0.357 18171
3005 1 9 . 1 1 37 37 ILE N N 37 121.622 121.622 122.882 -1.260 18171
3006 1 9 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.813 0.297 18171
3007 1 9 . 1 1 37 37 ILE C C 37 177.331 177.331 176.892 0.439 18171
3008 1 9 . 1 1 37 37 ILE CA C 37 62.588 62.588 63.130 -0.542 18171
3009 1 9 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.785 0.230 18171
3010 1 9 . 1 1 37 37 ILE H H 37 7.820 7.820 7.454 0.366 18171
3011 1 9 . 1 1 38 38 MET N N 38 118.071 118.071 116.067 2.004 18171
3012 1 9 . 1 1 38 38 MET HA H 38 4.174 4.174 4.074 0.100 18171
3013 1 9 . 1 1 38 38 MET C C 38 178.456 178.456 177.339 1.117 18171
3014 1 9 . 1 1 38 38 MET CA C 38 57.563 57.563 57.253 0.310 18171
3015 1 9 . 1 1 38 38 MET CB C 38 31.533 31.533 31.454 0.079 18171
3016 1 9 . 1 1 38 38 MET H H 38 7.479 7.479 7.626 -0.147 18171
3017 1 9 . 1 1 39 39 LYS N N 39 117.427 117.427 116.154 1.273 18171
3018 1 9 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.162 -0.215 18171
3019 1 9 . 1 1 39 39 LYS C C 39 177.456 177.456 177.452 0.004 18171
3020 1 9 . 1 1 39 39 LYS CA C 39 58.012 58.012 57.002 1.010 18171
3021 1 9 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.826 -2.053 18171
3022 1 9 . 1 1 39 39 LYS H H 39 7.580 7.580 7.662 -0.082 18171
3023 1 9 . 1 1 40 40 TYR N N 40 116.049 116.049 119.101 -3.052 18171
3024 1 9 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.860 -0.330 18171
3025 1 9 . 1 1 40 40 TYR C C 40 175.635 175.635 176.359 -0.724 18171
3026 1 9 . 1 1 40 40 TYR CA C 40 58.398 58.398 57.523 0.875 18171
3027 1 9 . 1 1 40 40 TYR CB C 40 39.490 39.490 37.095 2.395 18171
3028 1 9 . 1 1 40 40 TYR H H 40 7.651 7.651 7.115 0.536 18171
3029 1 9 . 1 1 41 41 GLN N N 41 116.626 116.626 117.356 -0.730 18171
3030 1 9 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.992 0.341 18171
3031 1 9 . 1 1 41 41 GLN C C 41 175.887 175.887 176.701 -0.814 18171
3032 1 9 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.340 0.246 18171
3033 1 9 . 1 1 41 41 GLN CB C 41 29.047 29.047 28.583 0.464 18171
3034 1 9 . 1 1 41 41 GLN H H 41 7.001 7.001 7.666 -0.665 18171
3035 1 9 . 1 1 42 42 ASN N N 42 114.491 114.491 113.994 0.497 18171
3036 1 9 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.603 0.259 18171
3037 1 9 . 1 1 42 42 ASN C C 42 173.784 173.784 175.323 -1.539 18171
3038 1 9 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.418 -0.886 18171
3039 1 9 . 1 1 42 42 ASN CB C 42 38.588 38.588 38.560 0.028 18171
3040 1 9 . 1 1 42 42 ASN H H 42 8.281 8.281 7.842 0.439 18171
3041 1 9 . 1 1 43 43 ASP N N 43 122.981 122.981 121.841 1.140 18171
3042 1 9 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.653 0.102 18171
3043 1 9 . 1 1 43 43 ASP C C 43 174.773 174.773 176.467 -1.694 18171
3044 1 9 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.779 -1.172 18171
3045 1 9 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.775 0.594 18171
3046 1 9 . 1 1 43 43 ASP H H 43 7.960 7.960 7.527 0.433 18171
3047 1 9 . 1 1 44 44 LYS N N 44 125.893 125.893 127.727 -1.834 18171
3048 1 9 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.897 -0.037 18171
3049 1 9 . 1 1 44 44 LYS C C 44 177.796 177.796 178.296 -0.500 18171
3050 1 9 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.580 0.216 18171
3051 1 9 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.544 -0.008 18171
3052 1 9 . 1 1 44 44 LYS H H 44 8.361 8.361 8.109 0.252 18171
3053 1 9 . 1 1 45 45 GLU N N 45 116.698 116.698 118.309 -1.611 18171
3054 1 9 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.118 -0.051 18171
3055 1 9 . 1 1 45 45 GLU C C 45 178.724 178.724 178.971 -0.247 18171
3056 1 9 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.471 -0.016 18171
3057 1 9 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.250 0.507 18171
3058 1 9 . 1 1 45 45 GLU H H 45 8.127 8.127 7.964 0.163 18171
3059 1 9 . 1 1 46 46 VAL N N 46 117.476 117.476 119.599 -2.123 18171
3060 1 9 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.761 -0.347 18171
3061 1 9 . 1 1 46 46 VAL C C 46 177.879 177.879 178.032 -0.153 18171
3062 1 9 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.244 0.186 18171
3063 1 9 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.589 0.439 18171
3064 1 9 . 1 1 46 46 VAL H H 46 7.452 7.452 7.609 -0.157 18171
3065 1 9 . 1 1 47 47 MET N N 47 117.027 117.027 120.427 -3.400 18171
3066 1 9 . 1 1 47 47 MET HA H 47 4.479 4.479 4.054 0.425 18171
3067 1 9 . 1 1 47 47 MET C C 47 179.307 179.307 178.551 0.756 18171
3068 1 9 . 1 1 47 47 MET CA C 47 56.809 56.809 60.079 -3.270 18171
3069 1 9 . 1 1 47 47 MET CB C 47 30.371 30.371 32.148 -1.776 18171
3070 1 9 . 1 1 47 47 MET H H 47 8.542 8.542 8.160 0.382 18171
3071 1 9 . 1 1 48 48 ASP N N 48 119.811 119.811 119.366 0.445 18171
3072 1 9 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.443 0.049 18171
3073 1 9 . 1 1 48 48 ASP C C 48 179.136 179.136 179.198 -0.062 18171
3074 1 9 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.790 -0.219 18171
3075 1 9 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.447 0.006 18171
3076 1 9 . 1 1 48 48 ASP H H 48 8.580 8.580 8.158 0.422 18171
3077 1 9 . 1 1 49 49 VAL N N 49 118.816 118.816 120.112 -1.296 18171
3078 1 9 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.775 -0.137 18171
3079 1 9 . 1 1 49 49 VAL C C 49 177.777 177.777 177.606 0.171 18171
3080 1 9 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.335 0.122 18171
3081 1 9 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.902 -0.836 18171
3082 1 9 . 1 1 49 49 VAL H H 49 7.319 7.319 7.610 -0.291 18171
3083 1 9 . 1 1 50 50 PHE N N 50 120.305 120.305 119.222 1.083 18171
3084 1 9 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.241 -0.105 18171
3085 1 9 . 1 1 50 50 PHE C C 50 178.505 178.505 178.111 0.394 18171
3086 1 9 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.530 -0.990 18171
3087 1 9 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.973 -0.664 18171
3088 1 9 . 1 1 50 50 PHE H H 50 8.529 8.529 9.083 -0.554 18171
3089 1 9 . 1 1 51 51 ASN N N 51 117.888 117.888 118.050 -0.162 18171
3090 1 9 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.540 -0.125 18171
3091 1 9 . 1 1 51 51 ASN C C 51 177.863 177.863 177.145 0.718 18171
3092 1 9 . 1 1 51 51 ASN CA C 51 56.168 56.168 56.084 0.084 18171
3093 1 9 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.725 -0.416 18171
3094 1 9 . 1 1 51 51 ASN H H 51 8.886 8.886 8.622 0.264 18171
3095 1 9 . 1 1 52 52 LYS N N 52 120.120 120.120 121.205 -1.085 18171
3096 1 9 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.042 0.068 18171
3097 1 9 . 1 1 52 52 LYS C C 52 179.002 179.002 178.337 0.665 18171
3098 1 9 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.258 -0.284 18171
3099 1 9 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.260 -0.205 18171
3100 1 9 . 1 1 52 52 LYS H H 52 7.760 7.760 7.093 0.667 18171
3101 1 9 . 1 1 53 53 ILE N N 53 117.988 117.988 119.729 -1.741 18171
3102 1 9 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.464 0.293 18171
3103 1 9 . 1 1 53 53 ILE C C 53 177.686 177.686 177.572 0.114 18171
3104 1 9 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.870 0.171 18171
3105 1 9 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.791 -0.124 18171
3106 1 9 . 1 1 53 53 ILE H H 53 8.400 8.400 8.618 -0.218 18171
3107 1 9 . 1 1 54 54 SER N N 54 114.267 114.267 115.097 -0.830 18171
3108 1 9 . 1 1 54 54 SER HA H 54 4.050 4.050 4.402 -0.352 18171
3109 1 9 . 1 1 54 54 SER C C 54 175.690 175.690 176.744 -1.054 18171
3110 1 9 . 1 1 54 54 SER CA C 54 61.417 61.417 61.303 0.114 18171
3111 1 9 . 1 1 54 54 SER CB C 54 62.922 62.922 63.104 -0.182 18171
3112 1 9 . 1 1 54 54 SER H H 54 8.042 8.042 7.733 0.309 18171
3113 1 9 . 1 1 55 55 GLN N N 55 118.045 118.045 120.681 -2.636 18171
3114 1 9 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.073 0.067 18171
3115 1 9 . 1 1 55 55 GLN C C 55 177.193 177.193 177.906 -0.713 18171
3116 1 9 . 1 1 55 55 GLN CA C 55 57.082 57.082 58.079 -0.997 18171
3117 1 9 . 1 1 55 55 GLN CB C 55 28.720 28.720 28.739 -0.019 18171
3118 1 9 . 1 1 55 55 GLN H H 55 7.415 7.415 7.590 -0.175 18171
3119 1 9 . 1 1 56 56 LEU N N 56 118.492 118.492 117.558 0.934 18171
3120 1 9 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.119 -0.086 18171
3121 1 9 . 1 1 56 56 LEU C C 56 176.578 176.578 176.566 0.012 18171
3122 1 9 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.019 -0.114 18171
3123 1 9 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.706 -0.157 18171
3124 1 9 . 1 1 56 56 LEU H H 56 7.732 7.732 7.799 -0.067 18171
3125 1 9 . 1 1 57 57 PHE N N 57 116.774 116.774 115.994 0.780 18171
3126 1 9 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.967 -0.075 18171
3127 1 9 . 1 1 57 57 PHE C C 57 173.125 173.125 174.741 -1.616 18171
3128 1 9 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.599 1.612 18171
3129 1 9 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.000 1.023 18171
3130 1 9 . 1 1 57 57 PHE H H 57 7.629 7.629 7.323 0.306 18171
3131 1 9 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.367 0.113 18171
3132 1 9 . 1 1 58 58 PRO C C 58 178.090 178.090 176.947 1.143 18171
3133 1 9 . 1 1 58 58 PRO CA C 58 63.972 63.972 64.500 -0.528 18171
3134 1 9 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.686 -0.759 18171
3135 1 9 . 1 1 59 59 GLY N N 59 108.335 108.335 107.007 1.328 18171
3136 1 9 . 1 1 59 59 GLY C C 59 174.930 174.930 173.320 1.610 18171
3137 1 9 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.366 0.018 18171
3138 1 9 . 1 1 59 59 GLY H H 59 8.411 8.411 8.337 0.074 18171
3139 1 9 . 1 1 60 60 MET N N 60 119.206 119.206 122.267 -3.061 18171
3140 1 9 . 1 1 60 60 MET HA H 60 4.467 4.467 4.577 -0.110 18171
3141 1 9 . 1 1 60 60 MET C C 60 176.320 176.320 174.736 1.584 18171
3142 1 9 . 1 1 60 60 MET CA C 60 56.395 56.395 55.855 0.540 18171
3143 1 9 . 1 1 60 60 MET CB C 60 32.964 32.964 32.614 0.350 18171
3144 1 9 . 1 1 60 60 MET H H 60 8.053 8.053 7.694 0.359 18171
3145 1 9 . 1 1 61 61 THR N N 61 111.041 111.041 117.271 -6.230 18171
3146 1 9 . 1 1 61 61 THR HA H 61 4.402 4.402 4.317 0.085 18171
3147 1 9 . 1 1 61 61 THR C C 61 173.976 173.976 175.637 -1.661 18171
3148 1 9 . 1 1 61 61 THR CA C 61 61.233 61.233 61.780 -0.547 18171
3149 1 9 . 1 1 61 61 THR CB C 61 70.120 70.120 67.744 2.376 18171
3150 1 9 . 1 1 61 61 THR H H 61 7.880 7.880 8.509 -0.629 18171
3151 1 10 . 1 1 2 2 GLU N N 2 115.081 115.081 121.558 -6.477 18171
3152 1 10 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.079 -0.219 18171
3153 1 10 . 1 1 2 2 GLU C C 2 179.259 179.259 178.654 0.605 18171
3154 1 10 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.177 1.183 18171
3155 1 10 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.044 -0.318 18171
3156 1 10 . 1 1 2 2 GLU H H 2 8.756 8.756 8.993 -0.237 18171
3157 1 10 . 1 1 3 3 GLU N N 3 120.051 120.051 119.323 0.728 18171
3158 1 10 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.070 -0.054 18171
3159 1 10 . 1 1 3 3 GLU C C 3 178.863 178.863 178.481 0.382 18171
3160 1 10 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.366 -0.360 18171
3161 1 10 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.358 1.007 18171
3162 1 10 . 1 1 3 3 GLU H H 3 7.722 7.722 8.557 -0.835 18171
3163 1 10 . 1 1 4 4 VAL N N 4 120.223 120.223 118.769 1.454 18171
3164 1 10 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.699 -0.190 18171
3165 1 10 . 1 1 4 4 VAL C C 4 177.687 177.687 178.408 -0.721 18171
3166 1 10 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.907 0.760 18171
3167 1 10 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.907 -0.366 18171
3168 1 10 . 1 1 4 4 VAL H H 4 7.815 7.815 7.377 0.438 18171
3169 1 10 . 1 1 5 5 ILE N N 5 118.475 118.475 119.036 -0.561 18171
3170 1 10 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.590 -0.090 18171
3171 1 10 . 1 1 5 5 ILE C C 5 177.638 177.638 177.973 -0.335 18171
3172 1 10 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.917 -0.556 18171
3173 1 10 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.309 -0.173 18171
3174 1 10 . 1 1 5 5 ILE H H 5 8.293 8.293 8.085 0.208 18171
3175 1 10 . 1 1 6 6 SER N N 6 113.327 113.327 114.883 -1.556 18171
3176 1 10 . 1 1 6 6 SER HA H 6 4.034 4.034 4.238 -0.204 18171
3177 1 10 . 1 1 6 6 SER C C 6 176.398 176.398 176.316 0.082 18171
3178 1 10 . 1 1 6 6 SER CA C 6 61.781 61.781 61.334 0.447 18171
3179 1 10 . 1 1 6 6 SER CB C 6 62.770 62.770 62.841 -0.071 18171
3180 1 10 . 1 1 6 6 SER H H 6 7.740 7.740 7.880 -0.140 18171
3181 1 10 . 1 1 7 7 LYS N N 7 119.755 119.755 122.363 -2.608 18171
3182 1 10 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.212 -0.069 18171
3183 1 10 . 1 1 7 7 LYS C C 7 179.622 179.622 178.682 0.940 18171
3184 1 10 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.755 -0.749 18171
3185 1 10 . 1 1 7 7 LYS CB C 7 31.742 31.742 32.539 -0.797 18171
3186 1 10 . 1 1 7 7 LYS H H 7 7.523 7.523 7.848 -0.325 18171
3187 1 10 . 1 1 8 8 ILE N N 8 119.544 119.544 120.166 -0.622 18171
3188 1 10 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.700 -0.057 18171
3189 1 10 . 1 1 8 8 ILE C C 8 177.510 177.510 177.828 -0.318 18171
3190 1 10 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.601 1.579 18171
3191 1 10 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.072 1.389 18171
3192 1 10 . 1 1 8 8 ILE H H 8 8.132 8.132 8.110 0.022 18171
3193 1 10 . 1 1 9 9 MET N N 9 114.616 114.616 118.185 -3.569 18171
3194 1 10 . 1 1 9 9 MET HA H 9 4.104 4.104 4.227 -0.123 18171
3195 1 10 . 1 1 9 9 MET C C 9 177.018 177.018 177.090 -0.072 18171
3196 1 10 . 1 1 9 9 MET CA C 9 56.601 56.601 57.376 -0.775 18171
3197 1 10 . 1 1 9 9 MET CB C 9 31.479 31.479 31.624 -0.145 18171
3198 1 10 . 1 1 9 9 MET H H 9 7.835 7.835 7.660 0.175 18171
3199 1 10 . 1 1 10 10 GLU N N 10 116.206 116.206 119.000 -2.794 18171
3200 1 10 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.085 0.067 18171
3201 1 10 . 1 1 10 10 GLU C C 10 176.263 176.263 177.036 -0.773 18171
3202 1 10 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.042 0.041 18171
3203 1 10 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.837 0.173 18171
3204 1 10 . 1 1 10 10 GLU H H 10 7.318 7.318 8.600 -1.282 18171
3205 1 10 . 1 1 11 11 ASN N N 11 119.007 119.007 118.168 0.839 18171
3206 1 10 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.098 0.043 18171
3207 1 10 . 1 1 11 11 ASN C C 11 173.093 173.093 173.597 -0.504 18171
3208 1 10 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.245 0.464 18171
3209 1 10 . 1 1 11 11 ASN CB C 11 40.100 40.100 39.629 0.471 18171
3210 1 10 . 1 1 11 11 ASN H H 11 7.707 7.707 7.845 -0.138 18171
3211 1 10 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.079 0.204 18171
3212 1 10 . 1 1 12 12 PRO C C 12 177.932 177.932 177.711 0.221 18171
3213 1 10 . 1 1 12 12 PRO CA C 12 65.228 65.228 64.991 0.237 18171
3214 1 10 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.672 0.337 18171
3215 1 10 . 1 1 13 13 ASP N N 13 116.410 116.410 118.506 -2.096 18171
3216 1 10 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.430 -0.005 18171
3217 1 10 . 1 1 13 13 ASP C C 13 178.456 178.456 178.119 0.337 18171
3218 1 10 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.215 -0.406 18171
3219 1 10 . 1 1 13 13 ASP CB C 13 39.939 39.939 41.150 -1.211 18171
3220 1 10 . 1 1 13 13 ASP H H 13 8.218 8.218 8.236 -0.018 18171
3221 1 10 . 1 1 14 14 VAL N N 14 120.053 120.053 120.344 -0.291 18171
3222 1 10 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.806 -0.024 18171
3223 1 10 . 1 1 14 14 VAL C C 14 177.045 177.045 177.537 -0.492 18171
3224 1 10 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.413 -1.063 18171
3225 1 10 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.753 0.008 18171
3226 1 10 . 1 1 14 14 VAL H H 14 7.722 7.722 8.002 -0.280 18171
3227 1 10 . 1 1 15 15 ALA N N 15 121.814 121.814 122.619 -0.805 18171
3228 1 10 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.755 0.167 18171
3229 1 10 . 1 1 15 15 ALA C C 15 180.315 180.315 179.462 0.853 18171
3230 1 10 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.189 0.465 18171
3231 1 10 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.173 0.004 18171
3232 1 10 . 1 1 15 15 ALA H H 15 8.245 8.245 7.520 0.725 18171
3233 1 10 . 1 1 16 16 MET N N 16 114.438 114.438 116.632 -2.194 18171
3234 1 10 . 1 1 16 16 MET HA H 16 4.234 4.234 4.257 -0.023 18171
3235 1 10 . 1 1 16 16 MET C C 16 178.930 178.930 178.849 0.081 18171
3236 1 10 . 1 1 16 16 MET CA C 16 58.011 58.011 58.515 -0.504 18171
3237 1 10 . 1 1 16 16 MET CB C 16 32.027 32.027 32.835 -0.808 18171
3238 1 10 . 1 1 16 16 MET H H 16 7.878 7.878 7.754 0.124 18171
3239 1 10 . 1 1 17 17 ALA N N 17 123.280 123.280 123.580 -0.300 18171
3240 1 10 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.214 -0.036 18171
3241 1 10 . 1 1 17 17 ALA C C 17 179.091 179.091 179.680 -0.589 18171
3242 1 10 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.933 -0.370 18171
3243 1 10 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.111 0.280 18171
3244 1 10 . 1 1 17 17 ALA H H 17 7.647 7.647 7.757 -0.110 18171
3245 1 10 . 1 1 18 18 PHE N N 18 114.808 114.808 116.505 -1.697 18171
3246 1 10 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.239 -0.121 18171
3247 1 10 . 1 1 18 18 PHE C C 18 175.169 175.169 176.717 -1.548 18171
3248 1 10 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.541 -1.107 18171
3249 1 10 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.712 0.331 18171
3250 1 10 . 1 1 18 18 PHE H H 18 8.032 8.032 8.707 -0.675 18171
3251 1 10 . 1 1 19 19 GLN N N 19 114.221 114.221 116.830 -2.609 18171
3252 1 10 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.273 -0.206 18171
3253 1 10 . 1 1 19 19 GLN C C 19 175.843 175.843 175.795 0.048 18171
3254 1 10 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.972 0.175 18171
3255 1 10 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.639 -0.019 18171
3256 1 10 . 1 1 19 19 GLN H H 19 7.414 7.414 7.562 -0.148 18171
3257 1 10 . 1 1 20 20 ASN N N 20 119.994 119.994 119.151 0.843 18171
3258 1 10 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.157 -0.274 18171
3259 1 10 . 1 1 20 20 ASN C C 20 174.726 174.726 173.976 0.750 18171
3260 1 10 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.630 -0.029 18171
3261 1 10 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.631 -1.374 18171
3262 1 10 . 1 1 20 20 ASN H H 20 7.497 7.497 7.833 -0.336 18171
3263 1 10 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.360 -0.171 18171
3264 1 10 . 1 1 21 21 PRO C C 21 178.747 178.747 178.448 0.299 18171
3265 1 10 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.575 -0.529 18171
3266 1 10 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.190 -0.069 18171
3267 1 10 . 1 1 22 22 ARG N N 22 117.899 117.899 118.801 -0.902 18171
3268 1 10 . 1 1 22 22 ARG HA H 22 4.093 4.093 3.996 0.097 18171
3269 1 10 . 1 1 22 22 ARG C C 22 178.827 178.827 178.526 0.301 18171
3270 1 10 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.974 0.012 18171
3271 1 10 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.556 0.875 18171
3272 1 10 . 1 1 22 22 ARG H H 22 8.066 8.066 8.552 -0.486 18171
3273 1 10 . 1 1 23 23 VAL N N 23 119.694 119.694 119.394 0.300 18171
3274 1 10 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.529 -0.145 18171
3275 1 10 . 1 1 23 23 VAL C C 23 177.319 177.319 177.470 -0.151 18171
3276 1 10 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.050 -0.302 18171
3277 1 10 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.432 0.089 18171
3278 1 10 . 1 1 23 23 VAL H H 23 7.199 7.199 7.323 -0.124 18171
3279 1 10 . 1 1 24 24 GLN N N 24 117.842 117.842 119.425 -1.583 18171
3280 1 10 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.704 -0.071 18171
3281 1 10 . 1 1 24 24 GLN C C 24 177.902 177.902 177.881 0.021 18171
3282 1 10 . 1 1 24 24 GLN CA C 24 59.669 59.669 58.656 1.013 18171
3283 1 10 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.080 -0.060 18171
3284 1 10 . 1 1 24 24 GLN H H 24 7.790 7.790 7.824 -0.034 18171
3285 1 10 . 1 1 25 25 ALA N N 25 119.267 119.267 120.595 -1.328 18171
3286 1 10 . 1 1 25 25 ALA HA H 25 4.046 4.046 3.965 0.081 18171
3287 1 10 . 1 1 25 25 ALA C C 25 179.854 179.854 178.762 1.092 18171
3288 1 10 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.689 0.357 18171
3289 1 10 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.188 -0.364 18171
3290 1 10 . 1 1 25 25 ALA H H 25 7.808 7.808 7.983 -0.175 18171
3291 1 10 . 1 1 26 26 ALA N N 26 120.738 120.738 122.192 -1.454 18171
3292 1 10 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.668 0.253 18171
3293 1 10 . 1 1 26 26 ALA C C 26 179.988 179.988 179.646 0.342 18171
3294 1 10 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.468 0.731 18171
3295 1 10 . 1 1 26 26 ALA CB C 26 18.171 18.171 17.880 0.291 18171
3296 1 10 . 1 1 26 26 ALA H H 26 7.500 7.500 7.414 0.086 18171
3297 1 10 . 1 1 27 27 LEU N N 27 118.511 118.511 119.416 -0.905 18171
3298 1 10 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.084 -0.171 18171
3299 1 10 . 1 1 27 27 LEU C C 27 179.923 179.923 179.198 0.725 18171
3300 1 10 . 1 1 27 27 LEU CA C 27 58.059 58.059 58.219 -0.160 18171
3301 1 10 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.624 -0.696 18171
3302 1 10 . 1 1 27 27 LEU H H 27 8.324 8.324 7.976 0.348 18171
3303 1 10 . 1 1 28 28 MET N N 28 118.681 118.681 117.084 1.597 18171
3304 1 10 . 1 1 28 28 MET HA H 28 4.144 4.144 4.017 0.127 18171
3305 1 10 . 1 1 28 28 MET C C 28 179.635 179.635 178.850 0.785 18171
3306 1 10 . 1 1 28 28 MET CA C 28 58.734 58.734 57.899 0.835 18171
3307 1 10 . 1 1 28 28 MET CB C 28 31.901 31.901 31.525 0.376 18171
3308 1 10 . 1 1 28 28 MET H H 28 8.127 8.127 8.334 -0.207 18171
3309 1 10 . 1 1 29 29 GLU N N 29 119.813 119.813 120.306 -0.493 18171
3310 1 10 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.177 0.049 18171
3311 1 10 . 1 1 29 29 GLU C C 29 180.544 180.544 179.299 1.245 18171
3312 1 10 . 1 1 29 29 GLU CA C 29 59.696 59.696 59.133 0.563 18171
3313 1 10 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.095 0.582 18171
3314 1 10 . 1 1 29 29 GLU H H 29 8.302 8.302 8.364 -0.062 18171
3315 1 10 . 1 1 30 30 CYS N N 30 118.465 118.465 119.439 -0.974 18171
3316 1 10 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.485 -0.032 18171
3317 1 10 . 1 1 30 30 CYS C C 30 175.357 175.357 176.017 -0.660 18171
3318 1 10 . 1 1 30 30 CYS CA C 30 62.482 62.482 61.614 0.868 18171
3319 1 10 . 1 1 30 30 CYS CB C 30 26.790 26.790 26.770 0.020 18171
3320 1 10 . 1 1 30 30 CYS H H 30 8.465 8.465 8.089 0.376 18171
3321 1 10 . 1 1 31 31 SER N N 31 114.366 114.366 115.107 -0.741 18171
3322 1 10 . 1 1 31 31 SER HA H 31 4.174 4.174 4.191 -0.017 18171
3323 1 10 . 1 1 31 31 SER C C 31 175.371 175.371 176.305 -0.934 18171
3324 1 10 . 1 1 31 31 SER CA C 31 60.932 60.932 61.307 -0.375 18171
3325 1 10 . 1 1 31 31 SER CB C 31 62.749 62.749 62.729 0.020 18171
3326 1 10 . 1 1 31 31 SER H H 31 7.859 7.859 7.698 0.161 18171
3327 1 10 . 1 1 32 32 GLU N N 32 119.996 119.996 121.947 -1.951 18171
3328 1 10 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.284 -0.080 18171
3329 1 10 . 1 1 32 32 GLU C C 32 176.983 176.983 176.579 0.404 18171
3330 1 10 . 1 1 32 32 GLU CA C 32 57.972 57.972 57.878 0.094 18171
3331 1 10 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.529 -0.452 18171
3332 1 10 . 1 1 32 32 GLU H H 32 7.254 7.254 8.195 -0.941 18171
3333 1 10 . 1 1 33 33 ASN N N 33 113.026 113.026 113.014 0.012 18171
3334 1 10 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.883 0.090 18171
3335 1 10 . 1 1 33 33 ASN C C 33 173.504 173.504 173.091 0.413 18171
3336 1 10 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.428 -1.692 18171
3337 1 10 . 1 1 33 33 ASN CB C 33 39.485 39.485 39.582 -0.097 18171
3338 1 10 . 1 1 33 33 ASN H H 33 7.370 7.370 7.527 -0.157 18171
3339 1 10 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.351 0.223 18171
3340 1 10 . 1 1 34 34 PRO C C 34 178.270 178.270 177.154 1.116 18171
3341 1 10 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.838 -0.011 18171
3342 1 10 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.971 -0.218 18171
3343 1 10 . 1 1 35 35 MET N N 35 115.258 115.258 113.906 1.352 18171
3344 1 10 . 1 1 35 35 MET HA H 35 4.330 4.330 4.242 0.088 18171
3345 1 10 . 1 1 35 35 MET C C 35 178.569 178.569 177.224 1.345 18171
3346 1 10 . 1 1 35 35 MET CA C 35 57.050 57.050 56.541 0.509 18171
3347 1 10 . 1 1 35 35 MET CB C 35 31.300 31.300 30.863 0.437 18171
3348 1 10 . 1 1 35 35 MET H H 35 7.962 7.962 8.047 -0.085 18171
3349 1 10 . 1 1 36 36 ASN N N 36 117.357 117.357 119.078 -1.721 18171
3350 1 10 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.329 0.244 18171
3351 1 10 . 1 1 36 36 ASN C C 36 176.470 176.470 177.328 -0.858 18171
3352 1 10 . 1 1 36 36 ASN CA C 36 55.126 55.126 56.162 -1.036 18171
3353 1 10 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.543 0.899 18171
3354 1 10 . 1 1 36 36 ASN H H 36 8.462 8.462 8.337 0.125 18171
3355 1 10 . 1 1 37 37 ILE N N 37 121.622 121.622 122.302 -0.680 18171
3356 1 10 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.858 0.252 18171
3357 1 10 . 1 1 37 37 ILE C C 37 177.331 177.331 177.189 0.142 18171
3358 1 10 . 1 1 37 37 ILE CA C 37 62.588 62.588 62.778 -0.189 18171
3359 1 10 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.838 0.177 18171
3360 1 10 . 1 1 37 37 ILE H H 37 7.820 7.820 7.503 0.317 18171
3361 1 10 . 1 1 38 38 MET N N 38 118.071 118.071 116.996 1.075 18171
3362 1 10 . 1 1 38 38 MET HA H 38 4.174 4.174 4.068 0.106 18171
3363 1 10 . 1 1 38 38 MET C C 38 178.456 178.456 177.406 1.050 18171
3364 1 10 . 1 1 38 38 MET CA C 38 57.563 57.563 58.459 -0.896 18171
3365 1 10 . 1 1 38 38 MET CB C 38 31.533 31.533 32.300 -0.767 18171
3366 1 10 . 1 1 38 38 MET H H 38 7.479 7.479 7.587 -0.108 18171
3367 1 10 . 1 1 39 39 LYS N N 39 117.427 117.427 117.889 -0.462 18171
3368 1 10 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.107 -0.160 18171
3369 1 10 . 1 1 39 39 LYS C C 39 177.456 177.456 178.565 -1.109 18171
3370 1 10 . 1 1 39 39 LYS CA C 39 58.012 58.012 58.163 -0.151 18171
3371 1 10 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.172 -1.399 18171
3372 1 10 . 1 1 39 39 LYS H H 39 7.580 7.580 7.662 -0.082 18171
3373 1 10 . 1 1 40 40 TYR N N 40 116.049 116.049 119.075 -3.026 18171
3374 1 10 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.313 0.217 18171
3375 1 10 . 1 1 40 40 TYR C C 40 175.635 175.635 177.910 -2.275 18171
3376 1 10 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.760 -0.362 18171
3377 1 10 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.687 2.803 18171
3378 1 10 . 1 1 40 40 TYR H H 40 7.651 7.651 7.721 -0.070 18171
3379 1 10 . 1 1 41 41 GLN N N 41 116.626 116.626 119.574 -2.948 18171
3380 1 10 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.968 0.365 18171
3381 1 10 . 1 1 41 41 GLN C C 41 175.887 175.887 176.559 -0.672 18171
3382 1 10 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.408 0.178 18171
3383 1 10 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.631 1.416 18171
3384 1 10 . 1 1 41 41 GLN H H 41 7.001 7.001 7.879 -0.878 18171
3385 1 10 . 1 1 42 42 ASN N N 42 114.491 114.491 114.800 -0.309 18171
3386 1 10 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.633 0.229 18171
3387 1 10 . 1 1 42 42 ASN C C 42 173.784 173.784 175.760 -1.976 18171
3388 1 10 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.418 -0.886 18171
3389 1 10 . 1 1 42 42 ASN CB C 42 38.588 38.588 38.792 -0.204 18171
3390 1 10 . 1 1 42 42 ASN H H 42 8.281 8.281 7.636 0.645 18171
3391 1 10 . 1 1 43 43 ASP N N 43 122.981 122.981 122.025 0.956 18171
3392 1 10 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.692 0.063 18171
3393 1 10 . 1 1 43 43 ASP C C 43 174.773 174.773 176.254 -1.481 18171
3394 1 10 . 1 1 43 43 ASP CA C 43 52.607 52.607 52.960 -0.353 18171
3395 1 10 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.672 0.697 18171
3396 1 10 . 1 1 43 43 ASP H H 43 7.960 7.960 8.129 -0.169 18171
3397 1 10 . 1 1 44 44 LYS N N 44 125.893 125.893 127.157 -1.264 18171
3398 1 10 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.883 -0.023 18171
3399 1 10 . 1 1 44 44 LYS C C 44 177.796 177.796 178.235 -0.439 18171
3400 1 10 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.494 0.302 18171
3401 1 10 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.592 -0.056 18171
3402 1 10 . 1 1 44 44 LYS H H 44 8.361 8.361 7.983 0.378 18171
3403 1 10 . 1 1 45 45 GLU N N 45 116.698 116.698 119.096 -2.398 18171
3404 1 10 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.119 -0.052 18171
3405 1 10 . 1 1 45 45 GLU C C 45 178.724 178.724 178.702 0.022 18171
3406 1 10 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.391 0.064 18171
3407 1 10 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.230 0.527 18171
3408 1 10 . 1 1 45 45 GLU H H 45 8.127 8.127 7.935 0.192 18171
3409 1 10 . 1 1 46 46 VAL N N 46 117.476 117.476 119.953 -2.477 18171
3410 1 10 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.710 -0.296 18171
3411 1 10 . 1 1 46 46 VAL C C 46 177.879 177.879 178.362 -0.483 18171
3412 1 10 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.106 0.324 18171
3413 1 10 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.121 0.907 18171
3414 1 10 . 1 1 46 46 VAL H H 46 7.452 7.452 7.804 -0.352 18171
3415 1 10 . 1 1 47 47 MET N N 47 117.027 117.027 119.651 -2.624 18171
3416 1 10 . 1 1 47 47 MET HA H 47 4.479 4.479 4.192 0.287 18171
3417 1 10 . 1 1 47 47 MET C C 47 179.307 179.307 178.753 0.554 18171
3418 1 10 . 1 1 47 47 MET CA C 47 56.809 56.809 58.322 -1.513 18171
3419 1 10 . 1 1 47 47 MET CB C 47 30.371 30.371 31.084 -0.713 18171
3420 1 10 . 1 1 47 47 MET H H 47 8.542 8.542 8.408 0.134 18171
3421 1 10 . 1 1 48 48 ASP N N 48 119.811 119.811 120.824 -1.013 18171
3422 1 10 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.429 0.063 18171
3423 1 10 . 1 1 48 48 ASP C C 48 179.136 179.136 179.329 -0.193 18171
3424 1 10 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.632 -0.061 18171
3425 1 10 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.457 -0.004 18171
3426 1 10 . 1 1 48 48 ASP H H 48 8.580 8.580 8.142 0.438 18171
3427 1 10 . 1 1 49 49 VAL N N 49 118.816 118.816 120.027 -1.211 18171
3428 1 10 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.769 -0.131 18171
3429 1 10 . 1 1 49 49 VAL C C 49 177.777 177.777 177.120 0.657 18171
3430 1 10 . 1 1 49 49 VAL CA C 49 66.457 66.457 65.752 0.705 18171
3431 1 10 . 1 1 49 49 VAL CB C 49 31.066 31.066 32.015 -0.949 18171
3432 1 10 . 1 1 49 49 VAL H H 49 7.319 7.319 7.581 -0.262 18171
3433 1 10 . 1 1 50 50 PHE N N 50 120.305 120.305 120.023 0.282 18171
3434 1 10 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.190 -0.054 18171
3435 1 10 . 1 1 50 50 PHE C C 50 178.505 178.505 177.491 1.014 18171
3436 1 10 . 1 1 50 50 PHE CA C 50 61.540 61.540 61.899 -0.359 18171
3437 1 10 . 1 1 50 50 PHE CB C 50 38.309 38.309 39.071 -0.762 18171
3438 1 10 . 1 1 50 50 PHE H H 50 8.529 8.529 8.939 -0.410 18171
3439 1 10 . 1 1 51 51 ASN N N 51 117.888 117.888 117.422 0.466 18171
3440 1 10 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.431 -0.016 18171
3441 1 10 . 1 1 51 51 ASN C C 51 177.863 177.863 176.932 0.931 18171
3442 1 10 . 1 1 51 51 ASN CA C 51 56.168 56.168 56.077 0.091 18171
3443 1 10 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.578 -0.269 18171
3444 1 10 . 1 1 51 51 ASN H H 51 8.886 8.886 8.646 0.240 18171
3445 1 10 . 1 1 52 52 LYS N N 52 120.120 120.120 121.929 -1.809 18171
3446 1 10 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.181 -0.071 18171
3447 1 10 . 1 1 52 52 LYS C C 52 179.002 179.002 178.642 0.360 18171
3448 1 10 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.337 -0.363 18171
3449 1 10 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.666 -0.611 18171
3450 1 10 . 1 1 52 52 LYS H H 52 7.760 7.760 7.459 0.301 18171
3451 1 10 . 1 1 53 53 ILE N N 53 117.988 117.988 119.748 -1.760 18171
3452 1 10 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.485 0.272 18171
3453 1 10 . 1 1 53 53 ILE C C 53 177.686 177.686 176.709 0.977 18171
3454 1 10 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.049 0.992 18171
3455 1 10 . 1 1 53 53 ILE CB C 53 37.667 37.667 36.598 1.069 18171
3456 1 10 . 1 1 53 53 ILE H H 53 8.400 8.400 8.426 -0.026 18171
3457 1 10 . 1 1 54 54 SER N N 54 114.267 114.267 112.239 2.028 18171
3458 1 10 . 1 1 54 54 SER HA H 54 4.050 4.050 4.166 -0.116 18171
3459 1 10 . 1 1 54 54 SER C C 54 175.690 175.690 175.745 -0.055 18171
3460 1 10 . 1 1 54 54 SER CA C 54 61.417 61.417 60.643 0.774 18171
3461 1 10 . 1 1 54 54 SER CB C 54 62.922 62.922 63.782 -0.860 18171
3462 1 10 . 1 1 54 54 SER H H 54 8.042 8.042 7.456 0.586 18171
3463 1 10 . 1 1 55 55 GLN N N 55 118.045 118.045 119.808 -1.763 18171
3464 1 10 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.278 -0.138 18171
3465 1 10 . 1 1 55 55 GLN C C 55 177.193 177.193 177.995 -0.802 18171
3466 1 10 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.498 -0.416 18171
3467 1 10 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.394 -0.674 18171
3468 1 10 . 1 1 55 55 GLN H H 55 7.415 7.415 7.568 -0.153 18171
3469 1 10 . 1 1 56 56 LEU N N 56 118.492 118.492 119.059 -0.567 18171
3470 1 10 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.192 -0.159 18171
3471 1 10 . 1 1 56 56 LEU C C 56 176.578 176.578 176.462 0.116 18171
3472 1 10 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.056 -0.151 18171
3473 1 10 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.246 0.303 18171
3474 1 10 . 1 1 56 56 LEU H H 56 7.732 7.732 8.078 -0.346 18171
3475 1 10 . 1 1 57 57 PHE N N 57 116.774 116.774 115.691 1.083 18171
3476 1 10 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.948 -0.056 18171
3477 1 10 . 1 1 57 57 PHE C C 57 173.125 173.125 174.633 -1.508 18171
3478 1 10 . 1 1 57 57 PHE CA C 57 55.211 55.211 54.453 0.758 18171
3479 1 10 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.324 0.699 18171
3480 1 10 . 1 1 57 57 PHE H H 57 7.629 7.629 7.999 -0.370 18171
3481 1 10 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.254 0.226 18171
3482 1 10 . 1 1 58 58 PRO C C 58 178.090 178.090 177.129 0.961 18171
3483 1 10 . 1 1 58 58 PRO CA C 58 63.972 63.972 64.773 -0.801 18171
3484 1 10 . 1 1 58 58 PRO CB C 58 30.927 30.927 32.021 -1.094 18171
3485 1 10 . 1 1 59 59 GLY N N 59 108.335 108.335 103.546 4.789 18171
3486 1 10 . 1 1 59 59 GLY C C 59 174.930 174.930 173.486 1.444 18171
3487 1 10 . 1 1 59 59 GLY CA C 59 45.384 45.384 44.925 0.459 18171
3488 1 10 . 1 1 59 59 GLY H H 59 8.411 8.411 7.811 0.600 18171
3489 1 10 . 1 1 60 60 MET N N 60 119.206 119.206 119.242 -0.036 18171
3490 1 10 . 1 1 60 60 MET HA H 60 4.467 4.467 4.199 0.268 18171
3491 1 10 . 1 1 60 60 MET C C 60 176.320 176.320 175.705 0.615 18171
3492 1 10 . 1 1 60 60 MET CA C 60 56.395 56.395 55.840 0.555 18171
3493 1 10 . 1 1 60 60 MET CB C 60 32.964 32.964 30.597 2.367 18171
3494 1 10 . 1 1 60 60 MET H H 60 8.053 8.053 8.117 -0.064 18171
3495 1 10 . 1 1 61 61 THR N N 61 111.041 111.041 113.509 -2.468 18171
3496 1 10 . 1 1 61 61 THR HA H 61 4.402 4.402 4.331 0.071 18171
3497 1 10 . 1 1 61 61 THR C C 61 173.976 173.976 175.378 -1.402 18171
3498 1 10 . 1 1 61 61 THR CA C 61 61.233 61.233 61.832 -0.599 18171
3499 1 10 . 1 1 61 61 THR CB C 61 70.120 70.120 68.929 1.191 18171
3500 1 10 . 1 1 61 61 THR H H 61 7.880 7.880 8.236 -0.356 18171
3501 1 11 . 1 1 2 2 GLU N N 2 115.081 115.081 121.137 -6.056 18171
3502 1 11 . 1 1 2 2 GLU HA H 2 3.860 3.860 3.998 -0.138 18171
3503 1 11 . 1 1 2 2 GLU C C 2 179.259 179.259 178.298 0.961 18171
3504 1 11 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.190 1.170 18171
3505 1 11 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.318 -0.592 18171
3506 1 11 . 1 1 2 2 GLU H H 2 8.756 8.756 8.953 -0.197 18171
3507 1 11 . 1 1 3 3 GLU N N 3 120.051 120.051 119.913 0.138 18171
3508 1 11 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.100 -0.084 18171
3509 1 11 . 1 1 3 3 GLU C C 3 178.863 178.863 178.822 0.041 18171
3510 1 11 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.458 -0.452 18171
3511 1 11 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.349 1.016 18171
3512 1 11 . 1 1 3 3 GLU H H 3 7.722 7.722 8.460 -0.739 18171
3513 1 11 . 1 1 4 4 VAL N N 4 120.223 120.223 118.878 1.345 18171
3514 1 11 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.785 -0.276 18171
3515 1 11 . 1 1 4 4 VAL C C 4 177.687 177.687 178.388 -0.701 18171
3516 1 11 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.765 0.902 18171
3517 1 11 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.479 0.062 18171
3518 1 11 . 1 1 4 4 VAL H H 4 7.815 7.815 7.438 0.377 18171
3519 1 11 . 1 1 5 5 ILE N N 5 118.475 118.475 119.013 -0.538 18171
3520 1 11 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.549 -0.049 18171
3521 1 11 . 1 1 5 5 ILE C C 5 177.638 177.638 177.902 -0.264 18171
3522 1 11 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.962 -0.601 18171
3523 1 11 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.216 -0.080 18171
3524 1 11 . 1 1 5 5 ILE H H 5 8.293 8.293 8.134 0.159 18171
3525 1 11 . 1 1 6 6 SER N N 6 113.327 113.327 114.889 -1.562 18171
3526 1 11 . 1 1 6 6 SER HA H 6 4.034 4.034 4.213 -0.179 18171
3527 1 11 . 1 1 6 6 SER C C 6 176.398 176.398 176.492 -0.094 18171
3528 1 11 . 1 1 6 6 SER CA C 6 61.781 61.781 61.276 0.504 18171
3529 1 11 . 1 1 6 6 SER CB C 6 62.770 62.770 63.027 -0.257 18171
3530 1 11 . 1 1 6 6 SER H H 6 7.740 7.740 7.841 -0.101 18171
3531 1 11 . 1 1 7 7 LYS N N 7 119.755 119.755 122.819 -3.064 18171
3532 1 11 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.224 -0.081 18171
3533 1 11 . 1 1 7 7 LYS C C 7 179.622 179.622 178.702 0.920 18171
3534 1 11 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.449 -0.443 18171
3535 1 11 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.960 -0.218 18171
3536 1 11 . 1 1 7 7 LYS H H 7 7.523 7.523 8.067 -0.544 18171
3537 1 11 . 1 1 8 8 ILE N N 8 119.544 119.544 119.794 -0.250 18171
3538 1 11 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.832 -0.189 18171
3539 1 11 . 1 1 8 8 ILE C C 8 177.510 177.510 177.306 0.204 18171
3540 1 11 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.068 2.112 18171
3541 1 11 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.227 1.234 18171
3542 1 11 . 1 1 8 8 ILE H H 8 8.132 8.132 7.916 0.216 18171
3543 1 11 . 1 1 9 9 MET N N 9 114.616 114.616 116.744 -2.128 18171
3544 1 11 . 1 1 9 9 MET HA H 9 4.104 4.104 4.209 -0.105 18171
3545 1 11 . 1 1 9 9 MET C C 9 177.018 177.018 176.806 0.212 18171
3546 1 11 . 1 1 9 9 MET CA C 9 56.601 56.601 57.154 -0.553 18171
3547 1 11 . 1 1 9 9 MET CB C 9 31.479 31.479 31.384 0.095 18171
3548 1 11 . 1 1 9 9 MET H H 9 7.835 7.835 7.462 0.373 18171
3549 1 11 . 1 1 10 10 GLU N N 10 116.206 116.206 118.421 -2.215 18171
3550 1 11 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.082 0.070 18171
3551 1 11 . 1 1 10 10 GLU C C 10 176.263 176.263 177.084 -0.821 18171
3552 1 11 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.001 0.082 18171
3553 1 11 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.552 0.458 18171
3554 1 11 . 1 1 10 10 GLU H H 10 7.318 7.318 7.791 -0.473 18171
3555 1 11 . 1 1 11 11 ASN N N 11 119.007 119.007 117.296 1.711 18171
3556 1 11 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.030 0.111 18171
3557 1 11 . 1 1 11 11 ASN C C 11 173.093 173.093 173.026 0.067 18171
3558 1 11 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.898 -0.189 18171
3559 1 11 . 1 1 11 11 ASN CB C 11 40.100 40.100 40.077 0.023 18171
3560 1 11 . 1 1 11 11 ASN H H 11 7.707 7.707 7.848 -0.141 18171
3561 1 11 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.141 0.142 18171
3562 1 11 . 1 1 12 12 PRO C C 12 177.932 177.932 177.072 0.860 18171
3563 1 11 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.106 0.122 18171
3564 1 11 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.771 0.237 18171
3565 1 11 . 1 1 13 13 ASP N N 13 116.410 116.410 117.677 -1.267 18171
3566 1 11 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.499 -0.074 18171
3567 1 11 . 1 1 13 13 ASP C C 13 178.456 178.456 178.575 -0.119 18171
3568 1 11 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.128 -0.319 18171
3569 1 11 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.749 -0.810 18171
3570 1 11 . 1 1 13 13 ASP H H 13 8.218 8.218 8.529 -0.311 18171
3571 1 11 . 1 1 14 14 VAL N N 14 120.053 120.053 120.403 -0.350 18171
3572 1 11 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.739 0.043 18171
3573 1 11 . 1 1 14 14 VAL C C 14 177.045 177.045 177.588 -0.543 18171
3574 1 11 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.668 -1.318 18171
3575 1 11 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.648 0.113 18171
3576 1 11 . 1 1 14 14 VAL H H 14 7.722 7.722 8.149 -0.427 18171
3577 1 11 . 1 1 15 15 ALA N N 15 121.814 121.814 122.822 -1.008 18171
3578 1 11 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.789 0.133 18171
3579 1 11 . 1 1 15 15 ALA C C 15 180.315 180.315 179.240 1.075 18171
3580 1 11 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.133 0.521 18171
3581 1 11 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.302 -0.125 18171
3582 1 11 . 1 1 15 15 ALA H H 15 8.245 8.245 7.429 0.816 18171
3583 1 11 . 1 1 16 16 MET N N 16 114.438 114.438 116.619 -2.181 18171
3584 1 11 . 1 1 16 16 MET HA H 16 4.234 4.234 4.357 -0.123 18171
3585 1 11 . 1 1 16 16 MET C C 16 178.930 178.930 178.926 0.004 18171
3586 1 11 . 1 1 16 16 MET CA C 16 58.011 58.011 56.730 1.281 18171
3587 1 11 . 1 1 16 16 MET CB C 16 32.027 32.027 32.331 -0.304 18171
3588 1 11 . 1 1 16 16 MET H H 16 7.878 7.878 7.884 -0.006 18171
3589 1 11 . 1 1 17 17 ALA N N 17 123.280 123.280 123.509 -0.229 18171
3590 1 11 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.200 -0.022 18171
3591 1 11 . 1 1 17 17 ALA C C 17 179.091 179.091 179.736 -0.645 18171
3592 1 11 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.936 -0.373 18171
3593 1 11 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.025 0.366 18171
3594 1 11 . 1 1 17 17 ALA H H 17 7.647 7.647 8.191 -0.544 18171
3595 1 11 . 1 1 18 18 PHE N N 18 114.808 114.808 116.249 -1.441 18171
3596 1 11 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.234 -0.116 18171
3597 1 11 . 1 1 18 18 PHE C C 18 175.169 175.169 176.597 -1.428 18171
3598 1 11 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.350 -0.916 18171
3599 1 11 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.689 0.354 18171
3600 1 11 . 1 1 18 18 PHE H H 18 8.032 8.032 8.561 -0.529 18171
3601 1 11 . 1 1 19 19 GLN N N 19 114.221 114.221 116.983 -2.762 18171
3602 1 11 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.309 -0.242 18171
3603 1 11 . 1 1 19 19 GLN C C 19 175.843 175.843 175.455 0.388 18171
3604 1 11 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.688 0.459 18171
3605 1 11 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.777 -0.157 18171
3606 1 11 . 1 1 19 19 GLN H H 19 7.414 7.414 7.528 -0.114 18171
3607 1 11 . 1 1 20 20 ASN N N 20 119.994 119.994 119.452 0.542 18171
3608 1 11 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.207 -0.324 18171
3609 1 11 . 1 1 20 20 ASN C C 20 174.726 174.726 173.983 0.743 18171
3610 1 11 . 1 1 20 20 ASN CA C 20 50.601 50.601 49.989 0.612 18171
3611 1 11 . 1 1 20 20 ASN CB C 20 39.257 39.257 39.221 0.036 18171
3612 1 11 . 1 1 20 20 ASN H H 20 7.497 7.497 7.922 -0.425 18171
3613 1 11 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.351 -0.162 18171
3614 1 11 . 1 1 21 21 PRO C C 21 178.747 178.747 178.170 0.577 18171
3615 1 11 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.578 -0.532 18171
3616 1 11 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.278 -0.157 18171
3617 1 11 . 1 1 22 22 ARG N N 22 117.899 117.899 118.073 -0.174 18171
3618 1 11 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.001 0.092 18171
3619 1 11 . 1 1 22 22 ARG C C 22 178.827 178.827 178.465 0.362 18171
3620 1 11 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.518 0.468 18171
3621 1 11 . 1 1 22 22 ARG CB C 22 30.431 30.431 28.821 1.610 18171
3622 1 11 . 1 1 22 22 ARG H H 22 8.066 8.066 8.684 -0.618 18171
3623 1 11 . 1 1 23 23 VAL N N 23 119.694 119.694 120.578 -0.884 18171
3624 1 11 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.662 -0.278 18171
3625 1 11 . 1 1 23 23 VAL C C 23 177.319 177.319 177.931 -0.612 18171
3626 1 11 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.372 -0.624 18171
3627 1 11 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.341 0.180 18171
3628 1 11 . 1 1 23 23 VAL H H 23 7.199 7.199 7.669 -0.470 18171
3629 1 11 . 1 1 24 24 GLN N N 24 117.842 117.842 118.393 -0.551 18171
3630 1 11 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.780 -0.147 18171
3631 1 11 . 1 1 24 24 GLN C C 24 177.902 177.902 178.395 -0.493 18171
3632 1 11 . 1 1 24 24 GLN CA C 24 59.669 59.669 58.707 0.962 18171
3633 1 11 . 1 1 24 24 GLN CB C 24 28.020 28.020 27.992 0.028 18171
3634 1 11 . 1 1 24 24 GLN H H 24 7.790 7.790 8.125 -0.335 18171
3635 1 11 . 1 1 25 25 ALA N N 25 119.267 119.267 121.219 -1.952 18171
3636 1 11 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.115 -0.069 18171
3637 1 11 . 1 1 25 25 ALA C C 25 179.854 179.854 179.255 0.599 18171
3638 1 11 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.509 0.537 18171
3639 1 11 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.037 -0.213 18171
3640 1 11 . 1 1 25 25 ALA H H 25 7.808 7.808 8.477 -0.669 18171
3641 1 11 . 1 1 26 26 ALA N N 26 120.738 120.738 121.498 -0.760 18171
3642 1 11 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.541 0.380 18171
3643 1 11 . 1 1 26 26 ALA C C 26 179.988 179.988 179.372 0.616 18171
3644 1 11 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.419 0.780 18171
3645 1 11 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.204 -0.033 18171
3646 1 11 . 1 1 26 26 ALA H H 26 7.500 7.500 7.458 0.042 18171
3647 1 11 . 1 1 27 27 LEU N N 27 118.511 118.511 119.573 -1.062 18171
3648 1 11 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.122 -0.209 18171
3649 1 11 . 1 1 27 27 LEU C C 27 179.923 179.923 178.983 0.940 18171
3650 1 11 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.908 0.151 18171
3651 1 11 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.940 -1.012 18171
3652 1 11 . 1 1 27 27 LEU H H 27 8.324 8.324 8.286 0.038 18171
3653 1 11 . 1 1 28 28 MET N N 28 118.681 118.681 117.831 0.850 18171
3654 1 11 . 1 1 28 28 MET HA H 28 4.144 4.144 4.082 0.062 18171
3655 1 11 . 1 1 28 28 MET C C 28 179.635 179.635 178.626 1.009 18171
3656 1 11 . 1 1 28 28 MET CA C 28 58.734 58.734 58.279 0.455 18171
3657 1 11 . 1 1 28 28 MET CB C 28 31.901 31.901 31.896 0.005 18171
3658 1 11 . 1 1 28 28 MET H H 28 8.127 8.127 8.218 -0.091 18171
3659 1 11 . 1 1 29 29 GLU N N 29 119.813 119.813 118.980 0.833 18171
3660 1 11 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.190 0.036 18171
3661 1 11 . 1 1 29 29 GLU C C 29 180.544 180.544 178.803 1.741 18171
3662 1 11 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.793 0.903 18171
3663 1 11 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.790 -0.113 18171
3664 1 11 . 1 1 29 29 GLU H H 29 8.302 8.302 8.264 0.038 18171
3665 1 11 . 1 1 30 30 CYS N N 30 118.465 118.465 119.318 -0.853 18171
3666 1 11 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.382 0.071 18171
3667 1 11 . 1 1 30 30 CYS C C 30 175.357 175.357 175.887 -0.530 18171
3668 1 11 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.038 0.444 18171
3669 1 11 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.843 -1.053 18171
3670 1 11 . 1 1 30 30 CYS H H 30 8.465 8.465 8.120 0.345 18171
3671 1 11 . 1 1 31 31 SER N N 31 114.366 114.366 113.790 0.576 18171
3672 1 11 . 1 1 31 31 SER HA H 31 4.174 4.174 4.172 0.002 18171
3673 1 11 . 1 1 31 31 SER C C 31 175.371 175.371 176.002 -0.631 18171
3674 1 11 . 1 1 31 31 SER CA C 31 60.932 60.932 60.919 0.013 18171
3675 1 11 . 1 1 31 31 SER CB C 31 62.749 62.749 63.158 -0.409 18171
3676 1 11 . 1 1 31 31 SER H H 31 7.859 7.859 7.711 0.148 18171
3677 1 11 . 1 1 32 32 GLU N N 32 119.996 119.996 119.385 0.611 18171
3678 1 11 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.205 -0.001 18171
3679 1 11 . 1 1 32 32 GLU C C 32 176.983 176.983 176.746 0.237 18171
3680 1 11 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.229 -0.257 18171
3681 1 11 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.478 -0.401 18171
3682 1 11 . 1 1 32 32 GLU H H 32 7.254 7.254 7.887 -0.633 18171
3683 1 11 . 1 1 33 33 ASN N N 33 113.026 113.026 112.520 0.506 18171
3684 1 11 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.893 0.080 18171
3685 1 11 . 1 1 33 33 ASN C C 33 173.504 173.504 173.211 0.293 18171
3686 1 11 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.617 -1.881 18171
3687 1 11 . 1 1 33 33 ASN CB C 33 39.485 39.485 38.676 0.809 18171
3688 1 11 . 1 1 33 33 ASN H H 33 7.370 7.370 7.541 -0.171 18171
3689 1 11 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.334 0.240 18171
3690 1 11 . 1 1 34 34 PRO C C 34 178.270 178.270 177.190 1.080 18171
3691 1 11 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.753 0.074 18171
3692 1 11 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.965 -0.211 18171
3693 1 11 . 1 1 35 35 MET N N 35 115.258 115.258 113.640 1.618 18171
3694 1 11 . 1 1 35 35 MET HA H 35 4.330 4.330 4.229 0.101 18171
3695 1 11 . 1 1 35 35 MET C C 35 178.569 178.569 176.899 1.670 18171
3696 1 11 . 1 1 35 35 MET CA C 35 57.050 57.050 56.515 0.535 18171
3697 1 11 . 1 1 35 35 MET CB C 35 31.300 31.300 30.628 0.672 18171
3698 1 11 . 1 1 35 35 MET H H 35 7.962 7.962 8.146 -0.184 18171
3699 1 11 . 1 1 36 36 ASN N N 36 117.357 117.357 116.739 0.618 18171
3700 1 11 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.617 -0.044 18171
3701 1 11 . 1 1 36 36 ASN C C 36 176.470 176.470 177.065 -0.595 18171
3702 1 11 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.385 -0.259 18171
3703 1 11 . 1 1 36 36 ASN CB C 36 38.442 38.442 38.086 0.356 18171
3704 1 11 . 1 1 36 36 ASN H H 36 8.462 8.462 8.163 0.299 18171
3705 1 11 . 1 1 37 37 ILE N N 37 121.622 121.622 122.072 -0.450 18171
3706 1 11 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.889 0.221 18171
3707 1 11 . 1 1 37 37 ILE C C 37 177.331 177.331 176.823 0.508 18171
3708 1 11 . 1 1 37 37 ILE CA C 37 62.588 62.588 62.768 -0.180 18171
3709 1 11 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.940 0.075 18171
3710 1 11 . 1 1 37 37 ILE H H 37 7.820 7.820 7.443 0.377 18171
3711 1 11 . 1 1 38 38 MET N N 38 118.071 118.071 116.153 1.918 18171
3712 1 11 . 1 1 38 38 MET HA H 38 4.174 4.174 4.230 -0.056 18171
3713 1 11 . 1 1 38 38 MET C C 38 178.456 178.456 176.403 2.053 18171
3714 1 11 . 1 1 38 38 MET CA C 38 57.563 57.563 56.020 1.543 18171
3715 1 11 . 1 1 38 38 MET CB C 38 31.533 31.533 30.789 0.744 18171
3716 1 11 . 1 1 38 38 MET H H 38 7.479 7.479 7.557 -0.078 18171
3717 1 11 . 1 1 39 39 LYS N N 39 117.427 117.427 118.131 -0.704 18171
3718 1 11 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.250 -0.303 18171
3719 1 11 . 1 1 39 39 LYS C C 39 177.456 177.456 177.985 -0.529 18171
3720 1 11 . 1 1 39 39 LYS CA C 39 58.012 58.012 57.051 0.961 18171
3721 1 11 . 1 1 39 39 LYS CB C 39 31.773 31.773 34.438 -2.665 18171
3722 1 11 . 1 1 39 39 LYS H H 39 7.580 7.580 7.746 -0.166 18171
3723 1 11 . 1 1 40 40 TYR N N 40 116.049 116.049 119.721 -3.672 18171
3724 1 11 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.321 0.209 18171
3725 1 11 . 1 1 40 40 TYR C C 40 175.635 175.635 177.741 -2.106 18171
3726 1 11 . 1 1 40 40 TYR CA C 40 58.398 58.398 59.051 -0.653 18171
3727 1 11 . 1 1 40 40 TYR CB C 40 39.490 39.490 37.011 2.479 18171
3728 1 11 . 1 1 40 40 TYR H H 40 7.651 7.651 7.664 -0.013 18171
3729 1 11 . 1 1 41 41 GLN N N 41 116.626 116.626 119.976 -3.350 18171
3730 1 11 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.964 0.369 18171
3731 1 11 . 1 1 41 41 GLN C C 41 175.887 175.887 176.795 -0.908 18171
3732 1 11 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.870 -0.284 18171
3733 1 11 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.544 1.502 18171
3734 1 11 . 1 1 41 41 GLN H H 41 7.001 7.001 7.777 -0.776 18171
3735 1 11 . 1 1 42 42 ASN N N 42 114.491 114.491 115.571 -1.080 18171
3736 1 11 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.667 0.195 18171
3737 1 11 . 1 1 42 42 ASN C C 42 173.784 173.784 174.911 -1.127 18171
3738 1 11 . 1 1 42 42 ASN CA C 42 52.532 52.532 54.369 -1.837 18171
3739 1 11 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.161 -0.573 18171
3740 1 11 . 1 1 42 42 ASN H H 42 8.281 8.281 7.579 0.702 18171
3741 1 11 . 1 1 43 43 ASP N N 43 122.981 122.981 121.523 1.458 18171
3742 1 11 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.730 0.025 18171
3743 1 11 . 1 1 43 43 ASP C C 43 174.773 174.773 176.411 -1.638 18171
3744 1 11 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.576 -0.969 18171
3745 1 11 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.585 0.784 18171
3746 1 11 . 1 1 43 43 ASP H H 43 7.960 7.960 8.177 -0.217 18171
3747 1 11 . 1 1 44 44 LYS N N 44 125.893 125.893 126.420 -0.527 18171
3748 1 11 . 1 1 44 44 LYS HA H 44 3.860 3.860 4.007 -0.147 18171
3749 1 11 . 1 1 44 44 LYS C C 44 177.796 177.796 178.712 -0.916 18171
3750 1 11 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.063 0.733 18171
3751 1 11 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.289 0.247 18171
3752 1 11 . 1 1 44 44 LYS H H 44 8.361 8.361 8.135 0.226 18171
3753 1 11 . 1 1 45 45 GLU N N 45 116.698 116.698 118.950 -2.252 18171
3754 1 11 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.148 -0.081 18171
3755 1 11 . 1 1 45 45 GLU C C 45 178.724 178.724 178.691 0.033 18171
3756 1 11 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.277 0.178 18171
3757 1 11 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.267 0.490 18171
3758 1 11 . 1 1 45 45 GLU H H 45 8.127 8.127 7.941 0.186 18171
3759 1 11 . 1 1 46 46 VAL N N 46 117.476 117.476 119.786 -2.310 18171
3760 1 11 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.757 -0.343 18171
3761 1 11 . 1 1 46 46 VAL C C 46 177.879 177.879 177.859 0.020 18171
3762 1 11 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.459 -0.029 18171
3763 1 11 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.636 0.392 18171
3764 1 11 . 1 1 46 46 VAL H H 46 7.452 7.452 7.605 -0.153 18171
3765 1 11 . 1 1 47 47 MET N N 47 117.027 117.027 119.198 -2.171 18171
3766 1 11 . 1 1 47 47 MET HA H 47 4.479 4.479 4.128 0.351 18171
3767 1 11 . 1 1 47 47 MET C C 47 179.307 179.307 177.974 1.333 18171
3768 1 11 . 1 1 47 47 MET CA C 47 56.809 56.809 59.733 -2.924 18171
3769 1 11 . 1 1 47 47 MET CB C 47 30.371 30.371 32.038 -1.667 18171
3770 1 11 . 1 1 47 47 MET H H 47 8.542 8.542 8.341 0.202 18171
3771 1 11 . 1 1 48 48 ASP N N 48 119.811 119.811 120.936 -1.125 18171
3772 1 11 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.439 0.053 18171
3773 1 11 . 1 1 48 48 ASP C C 48 179.136 179.136 179.164 -0.028 18171
3774 1 11 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.721 -0.150 18171
3775 1 11 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.590 -0.137 18171
3776 1 11 . 1 1 48 48 ASP H H 48 8.580 8.580 8.068 0.512 18171
3777 1 11 . 1 1 49 49 VAL N N 49 118.816 118.816 120.609 -1.793 18171
3778 1 11 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.689 -0.051 18171
3779 1 11 . 1 1 49 49 VAL C C 49 177.777 177.777 177.839 -0.062 18171
3780 1 11 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.590 -0.133 18171
3781 1 11 . 1 1 49 49 VAL CB C 49 31.066 31.066 32.161 -1.095 18171
3782 1 11 . 1 1 49 49 VAL H H 49 7.319 7.319 7.492 -0.173 18171
3783 1 11 . 1 1 50 50 PHE N N 50 120.305 120.305 119.255 1.050 18171
3784 1 11 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.122 0.014 18171
3785 1 11 . 1 1 50 50 PHE C C 50 178.505 178.505 177.851 0.654 18171
3786 1 11 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.612 -1.072 18171
3787 1 11 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.777 -0.468 18171
3788 1 11 . 1 1 50 50 PHE H H 50 8.529 8.529 9.117 -0.588 18171
3789 1 11 . 1 1 51 51 ASN N N 51 117.888 117.888 117.194 0.694 18171
3790 1 11 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.608 -0.193 18171
3791 1 11 . 1 1 51 51 ASN C C 51 177.863 177.863 177.090 0.773 18171
3792 1 11 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.898 0.270 18171
3793 1 11 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.509 -0.200 18171
3794 1 11 . 1 1 51 51 ASN H H 51 8.886 8.886 8.607 0.279 18171
3795 1 11 . 1 1 52 52 LYS N N 52 120.120 120.120 121.858 -1.738 18171
3796 1 11 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.234 -0.124 18171
3797 1 11 . 1 1 52 52 LYS C C 52 179.002 179.002 178.632 0.370 18171
3798 1 11 . 1 1 52 52 LYS CA C 52 58.974 58.974 58.996 -0.022 18171
3799 1 11 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.461 -0.406 18171
3800 1 11 . 1 1 52 52 LYS H H 52 7.760 7.760 7.249 0.511 18171
3801 1 11 . 1 1 53 53 ILE N N 53 117.988 117.988 119.657 -1.669 18171
3802 1 11 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.468 0.289 18171
3803 1 11 . 1 1 53 53 ILE C C 53 177.686 177.686 176.738 0.948 18171
3804 1 11 . 1 1 53 53 ILE CA C 53 65.041 65.041 63.879 1.162 18171
3805 1 11 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.462 0.206 18171
3806 1 11 . 1 1 53 53 ILE H H 53 8.400 8.400 8.512 -0.112 18171
3807 1 11 . 1 1 54 54 SER N N 54 114.267 114.267 112.318 1.949 18171
3808 1 11 . 1 1 54 54 SER HA H 54 4.050 4.050 4.277 -0.227 18171
3809 1 11 . 1 1 54 54 SER C C 54 175.690 175.690 175.741 -0.051 18171
3810 1 11 . 1 1 54 54 SER CA C 54 61.417 61.417 60.774 0.643 18171
3811 1 11 . 1 1 54 54 SER CB C 54 62.922 62.922 63.606 -0.684 18171
3812 1 11 . 1 1 54 54 SER H H 54 8.042 8.042 7.634 0.408 18171
3813 1 11 . 1 1 55 55 GLN N N 55 118.045 118.045 119.600 -1.555 18171
3814 1 11 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.283 -0.143 18171
3815 1 11 . 1 1 55 55 GLN C C 55 177.193 177.193 178.182 -0.989 18171
3816 1 11 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.553 -0.471 18171
3817 1 11 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.307 -0.587 18171
3818 1 11 . 1 1 55 55 GLN H H 55 7.415 7.415 7.591 -0.176 18171
3819 1 11 . 1 1 56 56 LEU N N 56 118.492 118.492 119.227 -0.735 18171
3820 1 11 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.199 -0.166 18171
3821 1 11 . 1 1 56 56 LEU C C 56 176.578 176.578 176.049 0.529 18171
3822 1 11 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.328 -0.423 18171
3823 1 11 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.452 0.097 18171
3824 1 11 . 1 1 56 56 LEU H H 56 7.732 7.732 8.014 -0.282 18171
3825 1 11 . 1 1 57 57 PHE N N 57 116.774 116.774 116.754 0.020 18171
3826 1 11 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.865 0.027 18171
3827 1 11 . 1 1 57 57 PHE C C 57 173.125 173.125 173.364 -0.239 18171
3828 1 11 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.702 1.509 18171
3829 1 11 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.438 0.585 18171
3830 1 11 . 1 1 57 57 PHE H H 57 7.629 7.629 7.747 -0.118 18171
3831 1 11 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.307 0.173 18171
3832 1 11 . 1 1 58 58 PRO C C 58 178.090 178.090 177.900 0.190 18171
3833 1 11 . 1 1 58 58 PRO CA C 58 63.972 63.972 64.402 -0.430 18171
3834 1 11 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.330 -0.403 18171
3835 1 11 . 1 1 59 59 GLY N N 59 108.335 108.335 111.210 -2.875 18171
3836 1 11 . 1 1 59 59 GLY C C 59 174.930 174.930 174.121 0.809 18171
3837 1 11 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.045 0.338 18171
3838 1 11 . 1 1 59 59 GLY H H 59 8.411 8.411 8.503 -0.092 18171
3839 1 11 . 1 1 60 60 MET N N 60 119.206 119.206 116.934 2.272 18171
3840 1 11 . 1 1 60 60 MET HA H 60 4.467 4.467 4.096 0.371 18171
3841 1 11 . 1 1 60 60 MET C C 60 176.320 176.320 176.356 -0.036 18171
3842 1 11 . 1 1 60 60 MET CA C 60 56.395 56.395 56.993 -0.598 18171
3843 1 11 . 1 1 60 60 MET CB C 60 32.964 32.964 31.615 1.349 18171
3844 1 11 . 1 1 60 60 MET H H 60 8.053 8.053 8.169 -0.116 18171
3845 1 11 . 1 1 61 61 THR N N 61 111.041 111.041 111.343 -0.302 18171
3846 1 11 . 1 1 61 61 THR HA H 61 4.402 4.402 4.318 0.084 18171
3847 1 11 . 1 1 61 61 THR C C 61 173.976 173.976 175.003 -1.027 18171
3848 1 11 . 1 1 61 61 THR CA C 61 61.233 61.233 63.534 -2.301 18171
3849 1 11 . 1 1 61 61 THR CB C 61 70.120 70.120 69.124 0.996 18171
3850 1 11 . 1 1 61 61 THR H H 61 7.880 7.880 8.404 -0.524 18171
3851 1 12 . 1 1 2 2 GLU N N 2 115.081 115.081 121.381 -6.300 18171
3852 1 12 . 1 1 2 2 GLU HA H 2 3.860 3.860 3.977 -0.117 18171
3853 1 12 . 1 1 2 2 GLU C C 2 179.259 179.259 178.047 1.212 18171
3854 1 12 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.617 0.743 18171
3855 1 12 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.086 -0.360 18171
3856 1 12 . 1 1 2 2 GLU H H 2 8.756 8.756 8.996 -0.240 18171
3857 1 12 . 1 1 3 3 GLU N N 3 120.051 120.051 118.212 1.839 18171
3858 1 12 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.060 -0.044 18171
3859 1 12 . 1 1 3 3 GLU C C 3 178.863 178.863 178.709 0.154 18171
3860 1 12 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.038 -0.032 18171
3861 1 12 . 1 1 3 3 GLU CB C 3 30.365 30.365 28.915 1.450 18171
3862 1 12 . 1 1 3 3 GLU H H 3 7.722 7.722 8.680 -0.958 18171
3863 1 12 . 1 1 4 4 VAL N N 4 120.223 120.223 120.105 0.118 18171
3864 1 12 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.599 -0.090 18171
3865 1 12 . 1 1 4 4 VAL C C 4 177.687 177.687 177.996 -0.309 18171
3866 1 12 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.475 1.192 18171
3867 1 12 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.856 -0.315 18171
3868 1 12 . 1 1 4 4 VAL H H 4 7.815 7.815 7.401 0.414 18171
3869 1 12 . 1 1 5 5 ILE N N 5 118.475 118.475 118.731 -0.256 18171
3870 1 12 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.591 -0.091 18171
3871 1 12 . 1 1 5 5 ILE C C 5 177.638 177.638 177.680 -0.042 18171
3872 1 12 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.847 -0.486 18171
3873 1 12 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.278 -0.142 18171
3874 1 12 . 1 1 5 5 ILE H H 5 8.293 8.293 7.889 0.404 18171
3875 1 12 . 1 1 6 6 SER N N 6 113.327 113.327 114.309 -0.982 18171
3876 1 12 . 1 1 6 6 SER HA H 6 4.034 4.034 4.246 -0.212 18171
3877 1 12 . 1 1 6 6 SER C C 6 176.398 176.398 176.134 0.264 18171
3878 1 12 . 1 1 6 6 SER CA C 6 61.781 61.781 60.972 0.809 18171
3879 1 12 . 1 1 6 6 SER CB C 6 62.770 62.770 62.846 -0.076 18171
3880 1 12 . 1 1 6 6 SER H H 6 7.740 7.740 7.699 0.041 18171
3881 1 12 . 1 1 7 7 LYS N N 7 119.755 119.755 122.528 -2.773 18171
3882 1 12 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.125 0.018 18171
3883 1 12 . 1 1 7 7 LYS C C 7 179.622 179.622 178.580 1.042 18171
3884 1 12 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.403 -0.397 18171
3885 1 12 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.780 -0.038 18171
3886 1 12 . 1 1 7 7 LYS H H 7 7.523 7.523 7.839 -0.316 18171
3887 1 12 . 1 1 8 8 ILE N N 8 119.544 119.544 120.150 -0.606 18171
3888 1 12 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.682 -0.039 18171
3889 1 12 . 1 1 8 8 ILE C C 8 177.510 177.510 177.273 0.237 18171
3890 1 12 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.232 1.948 18171
3891 1 12 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.182 1.279 18171
3892 1 12 . 1 1 8 8 ILE H H 8 8.132 8.132 7.692 0.440 18171
3893 1 12 . 1 1 9 9 MET N N 9 114.616 114.616 117.997 -3.381 18171
3894 1 12 . 1 1 9 9 MET HA H 9 4.104 4.104 4.165 -0.061 18171
3895 1 12 . 1 1 9 9 MET C C 9 177.018 177.018 176.960 0.058 18171
3896 1 12 . 1 1 9 9 MET CA C 9 56.601 56.601 57.864 -1.263 18171
3897 1 12 . 1 1 9 9 MET CB C 9 31.479 31.479 31.747 -0.268 18171
3898 1 12 . 1 1 9 9 MET H H 9 7.835 7.835 7.590 0.245 18171
3899 1 12 . 1 1 10 10 GLU N N 10 116.206 116.206 118.875 -2.669 18171
3900 1 12 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.167 -0.015 18171
3901 1 12 . 1 1 10 10 GLU C C 10 176.263 176.263 176.978 -0.715 18171
3902 1 12 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.087 -0.005 18171
3903 1 12 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.834 0.176 18171
3904 1 12 . 1 1 10 10 GLU H H 10 7.318 7.318 7.912 -0.594 18171
3905 1 12 . 1 1 11 11 ASN N N 11 119.007 119.007 117.776 1.231 18171
3906 1 12 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.083 0.058 18171
3907 1 12 . 1 1 11 11 ASN C C 11 173.093 173.093 173.103 -0.010 18171
3908 1 12 . 1 1 11 11 ASN CA C 11 50.709 50.709 51.237 -0.528 18171
3909 1 12 . 1 1 11 11 ASN CB C 11 40.100 40.100 39.306 0.794 18171
3910 1 12 . 1 1 11 11 ASN H H 11 7.707 7.707 7.918 -0.211 18171
3911 1 12 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.065 0.218 18171
3912 1 12 . 1 1 12 12 PRO C C 12 177.932 177.932 177.556 0.376 18171
3913 1 12 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.146 0.082 18171
3914 1 12 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.698 0.310 18171
3915 1 12 . 1 1 13 13 ASP N N 13 116.410 116.410 117.180 -0.770 18171
3916 1 12 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.482 -0.057 18171
3917 1 12 . 1 1 13 13 ASP C C 13 178.456 178.456 178.478 -0.022 18171
3918 1 12 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.270 -0.461 18171
3919 1 12 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.789 -0.850 18171
3920 1 12 . 1 1 13 13 ASP H H 13 8.218 8.218 8.405 -0.188 18171
3921 1 12 . 1 1 14 14 VAL N N 14 120.053 120.053 120.615 -0.562 18171
3922 1 12 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.846 -0.064 18171
3923 1 12 . 1 1 14 14 VAL C C 14 177.045 177.045 177.555 -0.510 18171
3924 1 12 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.647 -1.298 18171
3925 1 12 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.417 0.344 18171
3926 1 12 . 1 1 14 14 VAL H H 14 7.722 7.722 8.173 -0.451 18171
3927 1 12 . 1 1 15 15 ALA N N 15 121.814 121.814 122.933 -1.119 18171
3928 1 12 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.809 0.113 18171
3929 1 12 . 1 1 15 15 ALA C C 15 180.315 180.315 179.298 1.017 18171
3930 1 12 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.212 0.442 18171
3931 1 12 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.212 -0.035 18171
3932 1 12 . 1 1 15 15 ALA H H 15 8.245 8.245 7.481 0.764 18171
3933 1 12 . 1 1 16 16 MET N N 16 114.438 114.438 115.785 -1.347 18171
3934 1 12 . 1 1 16 16 MET HA H 16 4.234 4.234 4.385 -0.151 18171
3935 1 12 . 1 1 16 16 MET C C 16 178.930 178.930 178.899 0.031 18171
3936 1 12 . 1 1 16 16 MET CA C 16 58.011 58.011 56.996 1.015 18171
3937 1 12 . 1 1 16 16 MET CB C 16 32.027 32.027 32.255 -0.228 18171
3938 1 12 . 1 1 16 16 MET H H 16 7.878 7.878 7.727 0.151 18171
3939 1 12 . 1 1 17 17 ALA N N 17 123.280 123.280 123.597 -0.317 18171
3940 1 12 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.221 -0.043 18171
3941 1 12 . 1 1 17 17 ALA C C 17 179.091 179.091 179.551 -0.460 18171
3942 1 12 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.773 -0.210 18171
3943 1 12 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.074 0.317 18171
3944 1 12 . 1 1 17 17 ALA H H 17 7.647 7.647 7.961 -0.314 18171
3945 1 12 . 1 1 18 18 PHE N N 18 114.808 114.808 117.016 -2.208 18171
3946 1 12 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.264 -0.146 18171
3947 1 12 . 1 1 18 18 PHE C C 18 175.169 175.169 176.574 -1.405 18171
3948 1 12 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.434 -1.000 18171
3949 1 12 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.817 0.226 18171
3950 1 12 . 1 1 18 18 PHE H H 18 8.032 8.032 8.736 -0.704 18171
3951 1 12 . 1 1 19 19 GLN N N 19 114.221 114.221 117.244 -3.023 18171
3952 1 12 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.234 -0.167 18171
3953 1 12 . 1 1 19 19 GLN C C 19 175.843 175.843 176.017 -0.174 18171
3954 1 12 . 1 1 19 19 GLN CA C 19 56.147 56.147 56.036 0.111 18171
3955 1 12 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.827 -0.207 18171
3956 1 12 . 1 1 19 19 GLN H H 19 7.414 7.414 7.532 -0.118 18171
3957 1 12 . 1 1 20 20 ASN N N 20 119.994 119.994 120.592 -0.598 18171
3958 1 12 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.198 -0.315 18171
3959 1 12 . 1 1 20 20 ASN C C 20 174.726 174.726 173.941 0.785 18171
3960 1 12 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.122 0.479 18171
3961 1 12 . 1 1 20 20 ASN CB C 20 39.257 39.257 39.590 -0.333 18171
3962 1 12 . 1 1 20 20 ASN H H 20 7.497 7.497 7.926 -0.429 18171
3963 1 12 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.476 -0.287 18171
3964 1 12 . 1 1 21 21 PRO C C 21 178.747 178.747 178.371 0.376 18171
3965 1 12 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.576 -0.530 18171
3966 1 12 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.406 -0.285 18171
3967 1 12 . 1 1 22 22 ARG N N 22 117.899 117.899 118.788 -0.889 18171
3968 1 12 . 1 1 22 22 ARG HA H 22 4.093 4.093 3.985 0.108 18171
3969 1 12 . 1 1 22 22 ARG C C 22 178.827 178.827 178.401 0.426 18171
3970 1 12 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.963 0.023 18171
3971 1 12 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.424 1.008 18171
3972 1 12 . 1 1 22 22 ARG H H 22 8.066 8.066 8.589 -0.523 18171
3973 1 12 . 1 1 23 23 VAL N N 23 119.694 119.694 119.508 0.186 18171
3974 1 12 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.714 -0.330 18171
3975 1 12 . 1 1 23 23 VAL C C 23 177.319 177.319 177.653 -0.334 18171
3976 1 12 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.206 -0.458 18171
3977 1 12 . 1 1 23 23 VAL CB C 23 31.521 31.521 30.955 0.566 18171
3978 1 12 . 1 1 23 23 VAL H H 23 7.199 7.199 7.437 -0.238 18171
3979 1 12 . 1 1 24 24 GLN N N 24 117.842 117.842 119.769 -1.927 18171
3980 1 12 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.705 -0.072 18171
3981 1 12 . 1 1 24 24 GLN C C 24 177.902 177.902 178.150 -0.248 18171
3982 1 12 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.138 0.531 18171
3983 1 12 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.538 -0.518 18171
3984 1 12 . 1 1 24 24 GLN H H 24 7.790 7.790 7.869 -0.079 18171
3985 1 12 . 1 1 25 25 ALA N N 25 119.267 119.267 120.709 -1.442 18171
3986 1 12 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.042 0.004 18171
3987 1 12 . 1 1 25 25 ALA C C 25 179.854 179.854 179.044 0.810 18171
3988 1 12 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.619 0.427 18171
3989 1 12 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.139 -0.315 18171
3990 1 12 . 1 1 25 25 ALA H H 25 7.808 7.808 8.556 -0.748 18171
3991 1 12 . 1 1 26 26 ALA N N 26 120.738 120.738 122.000 -1.262 18171
3992 1 12 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.650 0.271 18171
3993 1 12 . 1 1 26 26 ALA C C 26 179.988 179.988 179.773 0.215 18171
3994 1 12 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.543 0.656 18171
3995 1 12 . 1 1 26 26 ALA CB C 26 18.171 18.171 17.898 0.273 18171
3996 1 12 . 1 1 26 26 ALA H H 26 7.500 7.500 7.453 0.047 18171
3997 1 12 . 1 1 27 27 LEU N N 27 118.511 118.511 118.977 -0.466 18171
3998 1 12 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.130 -0.217 18171
3999 1 12 . 1 1 27 27 LEU C C 27 179.923 179.923 179.163 0.760 18171
4000 1 12 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.979 0.080 18171
4001 1 12 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.917 -0.989 18171
4002 1 12 . 1 1 27 27 LEU H H 27 8.324 8.324 8.093 0.231 18171
4003 1 12 . 1 1 28 28 MET N N 28 118.681 118.681 116.952 1.729 18171
4004 1 12 . 1 1 28 28 MET HA H 28 4.144 4.144 4.048 0.096 18171
4005 1 12 . 1 1 28 28 MET C C 28 179.635 179.635 178.979 0.656 18171
4006 1 12 . 1 1 28 28 MET CA C 28 58.734 58.734 59.067 -0.333 18171
4007 1 12 . 1 1 28 28 MET CB C 28 31.901 31.901 32.409 -0.508 18171
4008 1 12 . 1 1 28 28 MET H H 28 8.127 8.127 8.326 -0.199 18171
4009 1 12 . 1 1 29 29 GLU N N 29 119.813 119.813 119.181 0.632 18171
4010 1 12 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.192 0.034 18171
4011 1 12 . 1 1 29 29 GLU C C 29 180.544 180.544 179.005 1.539 18171
4012 1 12 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.916 0.780 18171
4013 1 12 . 1 1 29 29 GLU CB C 29 29.677 29.677 30.032 -0.355 18171
4014 1 12 . 1 1 29 29 GLU H H 29 8.302 8.302 8.240 0.062 18171
4015 1 12 . 1 1 30 30 CYS N N 30 118.465 118.465 119.690 -1.225 18171
4016 1 12 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.313 0.140 18171
4017 1 12 . 1 1 30 30 CYS C C 30 175.357 175.357 175.959 -0.602 18171
4018 1 12 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.266 0.216 18171
4019 1 12 . 1 1 30 30 CYS CB C 30 26.790 26.790 26.553 0.237 18171
4020 1 12 . 1 1 30 30 CYS H H 30 8.465 8.465 8.035 0.430 18171
4021 1 12 . 1 1 31 31 SER N N 31 114.366 114.366 113.833 0.533 18171
4022 1 12 . 1 1 31 31 SER HA H 31 4.174 4.174 4.229 -0.055 18171
4023 1 12 . 1 1 31 31 SER C C 31 175.371 175.371 176.029 -0.658 18171
4024 1 12 . 1 1 31 31 SER CA C 31 60.932 60.932 60.946 -0.014 18171
4025 1 12 . 1 1 31 31 SER CB C 31 62.749 62.749 63.261 -0.512 18171
4026 1 12 . 1 1 31 31 SER H H 31 7.859 7.859 7.725 0.134 18171
4027 1 12 . 1 1 32 32 GLU N N 32 119.996 119.996 119.347 0.649 18171
4028 1 12 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.225 -0.021 18171
4029 1 12 . 1 1 32 32 GLU C C 32 176.983 176.983 176.632 0.351 18171
4030 1 12 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.163 -0.191 18171
4031 1 12 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.530 -0.453 18171
4032 1 12 . 1 1 32 32 GLU H H 32 7.254 7.254 7.948 -0.694 18171
4033 1 12 . 1 1 33 33 ASN N N 33 113.026 113.026 111.895 1.131 18171
4034 1 12 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.894 0.079 18171
4035 1 12 . 1 1 33 33 ASN C C 33 173.504 173.504 173.009 0.495 18171
4036 1 12 . 1 1 33 33 ASN CA C 33 50.736 50.736 51.635 -0.899 18171
4037 1 12 . 1 1 33 33 ASN CB C 33 39.485 39.485 37.855 1.629 18171
4038 1 12 . 1 1 33 33 ASN H H 33 7.370 7.370 7.646 -0.276 18171
4039 1 12 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.340 0.234 18171
4040 1 12 . 1 1 34 34 PRO C C 34 178.270 178.270 177.318 0.952 18171
4041 1 12 . 1 1 34 34 PRO CA C 34 64.827 64.827 65.084 -0.257 18171
4042 1 12 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.761 -0.007 18171
4043 1 12 . 1 1 35 35 MET N N 35 115.258 115.258 113.373 1.885 18171
4044 1 12 . 1 1 35 35 MET HA H 35 4.330 4.330 4.263 0.067 18171
4045 1 12 . 1 1 35 35 MET C C 35 178.569 178.569 176.847 1.722 18171
4046 1 12 . 1 1 35 35 MET CA C 35 57.050 57.050 56.514 0.536 18171
4047 1 12 . 1 1 35 35 MET CB C 35 31.300 31.300 30.657 0.643 18171
4048 1 12 . 1 1 35 35 MET H H 35 7.962 7.962 8.300 -0.338 18171
4049 1 12 . 1 1 36 36 ASN N N 36 117.357 117.357 116.793 0.564 18171
4050 1 12 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.745 -0.172 18171
4051 1 12 . 1 1 36 36 ASN C C 36 176.470 176.470 177.084 -0.614 18171
4052 1 12 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.007 0.119 18171
4053 1 12 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.768 0.674 18171
4054 1 12 . 1 1 36 36 ASN H H 36 8.462 8.462 8.219 0.243 18171
4055 1 12 . 1 1 37 37 ILE N N 37 121.622 121.622 121.740 -0.118 18171
4056 1 12 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.870 0.240 18171
4057 1 12 . 1 1 37 37 ILE C C 37 177.331 177.331 176.453 0.878 18171
4058 1 12 . 1 1 37 37 ILE CA C 37 62.588 62.588 62.199 0.389 18171
4059 1 12 . 1 1 37 37 ILE CB C 37 38.015 38.015 38.018 -0.003 18171
4060 1 12 . 1 1 37 37 ILE H H 37 7.820 7.820 7.470 0.350 18171
4061 1 12 . 1 1 38 38 MET N N 38 118.071 118.071 117.554 0.517 18171
4062 1 12 . 1 1 38 38 MET HA H 38 4.174 4.174 4.159 0.015 18171
4063 1 12 . 1 1 38 38 MET C C 38 178.456 178.456 176.270 2.186 18171
4064 1 12 . 1 1 38 38 MET CA C 38 57.563 57.563 57.288 0.275 18171
4065 1 12 . 1 1 38 38 MET CB C 38 31.533 31.533 31.350 0.183 18171
4066 1 12 . 1 1 38 38 MET H H 38 7.479 7.479 7.531 -0.052 18171
4067 1 12 . 1 1 39 39 LYS N N 39 117.427 117.427 117.261 0.166 18171
4068 1 12 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.268 -0.321 18171
4069 1 12 . 1 1 39 39 LYS C C 39 177.456 177.456 177.842 -0.386 18171
4070 1 12 . 1 1 39 39 LYS CA C 39 58.012 58.012 56.864 1.149 18171
4071 1 12 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.898 -2.125 18171
4072 1 12 . 1 1 39 39 LYS H H 39 7.580 7.580 7.430 0.150 18171
4073 1 12 . 1 1 40 40 TYR N N 40 116.049 116.049 119.770 -3.721 18171
4074 1 12 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.405 0.125 18171
4075 1 12 . 1 1 40 40 TYR C C 40 175.635 175.635 177.928 -2.293 18171
4076 1 12 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.572 -0.174 18171
4077 1 12 . 1 1 40 40 TYR CB C 40 39.490 39.490 37.167 2.322 18171
4078 1 12 . 1 1 40 40 TYR H H 40 7.651 7.651 7.299 0.352 18171
4079 1 12 . 1 1 41 41 GLN N N 41 116.626 116.626 119.289 -2.663 18171
4080 1 12 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.970 0.363 18171
4081 1 12 . 1 1 41 41 GLN C C 41 175.887 175.887 176.891 -1.004 18171
4082 1 12 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.759 -0.173 18171
4083 1 12 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.898 1.149 18171
4084 1 12 . 1 1 41 41 GLN H H 41 7.001 7.001 7.736 -0.735 18171
4085 1 12 . 1 1 42 42 ASN N N 42 114.491 114.491 115.986 -1.495 18171
4086 1 12 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.653 0.209 18171
4087 1 12 . 1 1 42 42 ASN C C 42 173.784 173.784 175.464 -1.680 18171
4088 1 12 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.878 -1.346 18171
4089 1 12 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.530 -0.942 18171
4090 1 12 . 1 1 42 42 ASN H H 42 8.281 8.281 7.536 0.745 18171
4091 1 12 . 1 1 43 43 ASP N N 43 122.981 122.981 122.041 0.940 18171
4092 1 12 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.634 0.121 18171
4093 1 12 . 1 1 43 43 ASP C C 43 174.773 174.773 176.367 -1.594 18171
4094 1 12 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.376 -0.769 18171
4095 1 12 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.700 0.669 18171
4096 1 12 . 1 1 43 43 ASP H H 43 7.960 7.960 7.865 0.095 18171
4097 1 12 . 1 1 44 44 LYS N N 44 125.893 125.893 127.571 -1.678 18171
4098 1 12 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.871 -0.011 18171
4099 1 12 . 1 1 44 44 LYS C C 44 177.796 177.796 178.238 -0.442 18171
4100 1 12 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.336 0.460 18171
4101 1 12 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.520 0.016 18171
4102 1 12 . 1 1 44 44 LYS H H 44 8.361 8.361 8.099 0.262 18171
4103 1 12 . 1 1 45 45 GLU N N 45 116.698 116.698 119.139 -2.441 18171
4104 1 12 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.141 -0.074 18171
4105 1 12 . 1 1 45 45 GLU C C 45 178.724 178.724 178.899 -0.175 18171
4106 1 12 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.242 0.213 18171
4107 1 12 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.388 0.369 18171
4108 1 12 . 1 1 45 45 GLU H H 45 8.127 8.127 8.190 -0.063 18171
4109 1 12 . 1 1 46 46 VAL N N 46 117.476 117.476 119.643 -2.167 18171
4110 1 12 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.693 -0.279 18171
4111 1 12 . 1 1 46 46 VAL C C 46 177.879 177.879 178.005 -0.126 18171
4112 1 12 . 1 1 46 46 VAL CA C 46 66.430 66.430 65.784 0.646 18171
4113 1 12 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.592 0.436 18171
4114 1 12 . 1 1 46 46 VAL H H 46 7.452 7.452 7.724 -0.272 18171
4115 1 12 . 1 1 47 47 MET N N 47 117.027 117.027 119.349 -2.322 18171
4116 1 12 . 1 1 47 47 MET HA H 47 4.479 4.479 4.218 0.261 18171
4117 1 12 . 1 1 47 47 MET C C 47 179.307 179.307 177.605 1.702 18171
4118 1 12 . 1 1 47 47 MET CA C 47 56.809 56.809 58.751 -1.942 18171
4119 1 12 . 1 1 47 47 MET CB C 47 30.371 30.371 31.711 -1.340 18171
4120 1 12 . 1 1 47 47 MET H H 47 8.542 8.542 8.364 0.178 18171
4121 1 12 . 1 1 48 48 ASP N N 48 119.811 119.811 120.231 -0.420 18171
4122 1 12 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.475 0.017 18171
4123 1 12 . 1 1 48 48 ASP C C 48 179.136 179.136 178.973 0.163 18171
4124 1 12 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.268 0.303 18171
4125 1 12 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.933 -0.480 18171
4126 1 12 . 1 1 48 48 ASP H H 48 8.580 8.580 7.857 0.723 18171
4127 1 12 . 1 1 49 49 VAL N N 49 118.816 118.816 120.337 -1.521 18171
4128 1 12 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.692 -0.054 18171
4129 1 12 . 1 1 49 49 VAL C C 49 177.777 177.777 177.948 -0.171 18171
4130 1 12 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.601 -0.144 18171
4131 1 12 . 1 1 49 49 VAL CB C 49 31.066 31.066 32.153 -1.087 18171
4132 1 12 . 1 1 49 49 VAL H H 49 7.319 7.319 7.485 -0.166 18171
4133 1 12 . 1 1 50 50 PHE N N 50 120.305 120.305 118.532 1.773 18171
4134 1 12 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.214 -0.078 18171
4135 1 12 . 1 1 50 50 PHE C C 50 178.505 178.505 177.945 0.560 18171
4136 1 12 . 1 1 50 50 PHE CA C 50 61.540 61.540 61.915 -0.375 18171
4137 1 12 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.574 -0.265 18171
4138 1 12 . 1 1 50 50 PHE H H 50 8.529 8.529 9.205 -0.676 18171
4139 1 12 . 1 1 51 51 ASN N N 51 117.888 117.888 117.203 0.685 18171
4140 1 12 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.556 -0.141 18171
4141 1 12 . 1 1 51 51 ASN C C 51 177.863 177.863 177.230 0.633 18171
4142 1 12 . 1 1 51 51 ASN CA C 51 56.168 56.168 56.012 0.156 18171
4143 1 12 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.642 -0.333 18171
4144 1 12 . 1 1 51 51 ASN H H 51 8.886 8.886 8.510 0.376 18171
4145 1 12 . 1 1 52 52 LYS N N 52 120.120 120.120 121.363 -1.243 18171
4146 1 12 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.048 0.062 18171
4147 1 12 . 1 1 52 52 LYS C C 52 179.002 179.002 178.476 0.526 18171
4148 1 12 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.062 -0.088 18171
4149 1 12 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.439 -0.384 18171
4150 1 12 . 1 1 52 52 LYS H H 52 7.760 7.760 7.329 0.431 18171
4151 1 12 . 1 1 53 53 ILE N N 53 117.988 117.988 120.100 -2.112 18171
4152 1 12 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.506 0.251 18171
4153 1 12 . 1 1 53 53 ILE C C 53 177.686 177.686 177.708 -0.022 18171
4154 1 12 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.901 0.140 18171
4155 1 12 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.709 -0.042 18171
4156 1 12 . 1 1 53 53 ILE H H 53 8.400 8.400 8.705 -0.305 18171
4157 1 12 . 1 1 54 54 SER N N 54 114.267 114.267 113.872 0.395 18171
4158 1 12 . 1 1 54 54 SER HA H 54 4.050 4.050 4.239 -0.189 18171
4159 1 12 . 1 1 54 54 SER C C 54 175.690 175.690 176.108 -0.418 18171
4160 1 12 . 1 1 54 54 SER CA C 54 61.417 61.417 60.632 0.785 18171
4161 1 12 . 1 1 54 54 SER CB C 54 62.922 62.922 63.014 -0.092 18171
4162 1 12 . 1 1 54 54 SER H H 54 8.042 8.042 7.591 0.451 18171
4163 1 12 . 1 1 55 55 GLN N N 55 118.045 118.045 119.531 -1.486 18171
4164 1 12 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.078 0.062 18171
4165 1 12 . 1 1 55 55 GLN C C 55 177.193 177.193 177.879 -0.686 18171
4166 1 12 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.935 -0.853 18171
4167 1 12 . 1 1 55 55 GLN CB C 55 28.720 28.720 28.997 -0.277 18171
4168 1 12 . 1 1 55 55 GLN H H 55 7.415 7.415 7.495 -0.080 18171
4169 1 12 . 1 1 56 56 LEU N N 56 118.492 118.492 117.573 0.919 18171
4170 1 12 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.101 -0.068 18171
4171 1 12 . 1 1 56 56 LEU C C 56 176.578 176.578 176.489 0.089 18171
4172 1 12 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.153 -0.248 18171
4173 1 12 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.650 -0.101 18171
4174 1 12 . 1 1 56 56 LEU H H 56 7.732 7.732 7.809 -0.077 18171
4175 1 12 . 1 1 57 57 PHE N N 57 116.774 116.774 115.276 1.498 18171
4176 1 12 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.932 -0.040 18171
4177 1 12 . 1 1 57 57 PHE C C 57 173.125 173.125 173.738 -0.613 18171
4178 1 12 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.666 1.545 18171
4179 1 12 . 1 1 57 57 PHE CB C 57 39.023 39.023 37.816 1.207 18171
4180 1 12 . 1 1 57 57 PHE H H 57 7.629 7.629 7.270 0.359 18171
4181 1 12 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.412 0.068 18171
4182 1 12 . 1 1 58 58 PRO C C 58 178.090 178.090 177.102 0.988 18171
4183 1 12 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.826 0.146 18171
4184 1 12 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.372 -0.445 18171
4185 1 12 . 1 1 59 59 GLY N N 59 108.335 108.335 106.561 1.774 18171
4186 1 12 . 1 1 59 59 GLY C C 59 174.930 174.930 173.491 1.439 18171
4187 1 12 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.627 -0.243 18171
4188 1 12 . 1 1 59 59 GLY H H 59 8.411 8.411 8.223 0.188 18171
4189 1 12 . 1 1 60 60 MET N N 60 119.206 119.206 122.064 -2.858 18171
4190 1 12 . 1 1 60 60 MET HA H 60 4.467 4.467 4.428 0.039 18171
4191 1 12 . 1 1 60 60 MET C C 60 176.320 176.320 175.741 0.579 18171
4192 1 12 . 1 1 60 60 MET CA C 60 56.395 56.395 56.424 -0.029 18171
4193 1 12 . 1 1 60 60 MET CB C 60 32.964 32.964 30.731 2.233 18171
4194 1 12 . 1 1 60 60 MET H H 60 8.053 8.053 8.270 -0.217 18171
4195 1 12 . 1 1 61 61 THR N N 61 111.041 111.041 116.793 -5.752 18171
4196 1 12 . 1 1 61 61 THR HA H 61 4.402 4.402 4.365 0.037 18171
4197 1 12 . 1 1 61 61 THR C C 61 173.976 173.976 175.018 -1.042 18171
4198 1 12 . 1 1 61 61 THR CA C 61 61.233 61.233 62.020 -0.787 18171
4199 1 12 . 1 1 61 61 THR CB C 61 70.120 70.120 70.198 -0.078 18171
4200 1 12 . 1 1 61 61 THR H H 61 7.880 7.880 8.022 -0.142 18171
4201 1 13 . 1 1 2 2 GLU N N 2 115.081 115.081 121.204 -6.123 18171
4202 1 13 . 1 1 2 2 GLU HA H 2 3.860 3.860 3.986 -0.126 18171
4203 1 13 . 1 1 2 2 GLU C C 2 179.259 179.259 178.298 0.961 18171
4204 1 13 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.199 1.161 18171
4205 1 13 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.287 -0.561 18171
4206 1 13 . 1 1 2 2 GLU H H 2 8.756 8.756 8.950 -0.195 18171
4207 1 13 . 1 1 3 3 GLU N N 3 120.051 120.051 119.179 0.872 18171
4208 1 13 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.067 -0.051 18171
4209 1 13 . 1 1 3 3 GLU C C 3 178.863 178.863 178.670 0.193 18171
4210 1 13 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.392 -0.386 18171
4211 1 13 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.313 1.052 18171
4212 1 13 . 1 1 3 3 GLU H H 3 7.722 7.722 8.448 -0.726 18171
4213 1 13 . 1 1 4 4 VAL N N 4 120.223 120.223 118.812 1.411 18171
4214 1 13 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.727 -0.218 18171
4215 1 13 . 1 1 4 4 VAL C C 4 177.687 177.687 178.319 -0.632 18171
4216 1 13 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.768 0.899 18171
4217 1 13 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.833 -0.292 18171
4218 1 13 . 1 1 4 4 VAL H H 4 7.815 7.815 7.394 0.421 18171
4219 1 13 . 1 1 5 5 ILE N N 5 118.475 118.475 119.871 -1.396 18171
4220 1 13 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.502 -0.002 18171
4221 1 13 . 1 1 5 5 ILE C C 5 177.638 177.638 177.434 0.204 18171
4222 1 13 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.784 -0.423 18171
4223 1 13 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.103 0.033 18171
4224 1 13 . 1 1 5 5 ILE H H 5 8.293 8.293 8.257 0.036 18171
4225 1 13 . 1 1 6 6 SER N N 6 113.327 113.327 115.029 -1.702 18171
4226 1 13 . 1 1 6 6 SER HA H 6 4.034 4.034 4.203 -0.169 18171
4227 1 13 . 1 1 6 6 SER C C 6 176.398 176.398 176.102 0.296 18171
4228 1 13 . 1 1 6 6 SER CA C 6 61.781 61.781 60.981 0.800 18171
4229 1 13 . 1 1 6 6 SER CB C 6 62.770 62.770 63.095 -0.325 18171
4230 1 13 . 1 1 6 6 SER H H 6 7.740 7.740 7.742 -0.002 18171
4231 1 13 . 1 1 7 7 LYS N N 7 119.755 119.755 122.143 -2.388 18171
4232 1 13 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.065 0.078 18171
4233 1 13 . 1 1 7 7 LYS C C 7 179.622 179.622 178.472 1.150 18171
4234 1 13 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.241 -0.235 18171
4235 1 13 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.882 -0.140 18171
4236 1 13 . 1 1 7 7 LYS H H 7 7.523 7.523 7.900 -0.377 18171
4237 1 13 . 1 1 8 8 ILE N N 8 119.544 119.544 120.426 -0.882 18171
4238 1 13 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.775 -0.132 18171
4239 1 13 . 1 1 8 8 ILE C C 8 177.510 177.510 177.083 0.427 18171
4240 1 13 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.766 1.415 18171
4241 1 13 . 1 1 8 8 ILE CB C 8 37.461 37.461 37.875 -0.414 18171
4242 1 13 . 1 1 8 8 ILE H H 8 8.132 8.132 7.391 0.741 18171
4243 1 13 . 1 1 9 9 MET N N 9 114.616 114.616 116.928 -2.312 18171
4244 1 13 . 1 1 9 9 MET HA H 9 4.104 4.104 4.121 -0.017 18171
4245 1 13 . 1 1 9 9 MET C C 9 177.018 177.018 176.446 0.572 18171
4246 1 13 . 1 1 9 9 MET CA C 9 56.601 56.601 57.388 -0.787 18171
4247 1 13 . 1 1 9 9 MET CB C 9 31.479 31.479 31.845 -0.366 18171
4248 1 13 . 1 1 9 9 MET H H 9 7.835 7.835 7.263 0.572 18171
4249 1 13 . 1 1 10 10 GLU N N 10 116.206 116.206 117.595 -1.389 18171
4250 1 13 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.045 0.107 18171
4251 1 13 . 1 1 10 10 GLU C C 10 176.263 176.263 177.032 -0.769 18171
4252 1 13 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.342 -0.259 18171
4253 1 13 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.396 0.614 18171
4254 1 13 . 1 1 10 10 GLU H H 10 7.318 7.318 7.550 -0.232 18171
4255 1 13 . 1 1 11 11 ASN N N 11 119.007 119.007 117.252 1.755 18171
4256 1 13 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.061 0.080 18171
4257 1 13 . 1 1 11 11 ASN C C 11 173.093 173.093 173.323 -0.230 18171
4258 1 13 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.368 0.341 18171
4259 1 13 . 1 1 11 11 ASN CB C 11 40.100 40.100 40.011 0.089 18171
4260 1 13 . 1 1 11 11 ASN H H 11 7.707 7.707 7.597 0.110 18171
4261 1 13 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.122 0.161 18171
4262 1 13 . 1 1 12 12 PRO C C 12 177.932 177.932 177.671 0.261 18171
4263 1 13 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.130 0.098 18171
4264 1 13 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.746 0.262 18171
4265 1 13 . 1 1 13 13 ASP N N 13 116.410 116.410 116.380 0.030 18171
4266 1 13 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.449 -0.024 18171
4267 1 13 . 1 1 13 13 ASP C C 13 178.456 178.456 178.268 0.188 18171
4268 1 13 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.175 -0.366 18171
4269 1 13 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.575 -0.636 18171
4270 1 13 . 1 1 13 13 ASP H H 13 8.218 8.218 8.313 -0.095 18171
4271 1 13 . 1 1 14 14 VAL N N 14 120.053 120.053 120.635 -0.582 18171
4272 1 13 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.791 -0.009 18171
4273 1 13 . 1 1 14 14 VAL C C 14 177.045 177.045 177.638 -0.593 18171
4274 1 13 . 1 1 14 14 VAL CA C 14 64.350 64.350 66.097 -1.747 18171
4275 1 13 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.475 0.286 18171
4276 1 13 . 1 1 14 14 VAL H H 14 7.722 7.722 8.247 -0.525 18171
4277 1 13 . 1 1 15 15 ALA N N 15 121.814 121.814 122.293 -0.479 18171
4278 1 13 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.791 0.131 18171
4279 1 13 . 1 1 15 15 ALA C C 15 180.315 180.315 179.155 1.160 18171
4280 1 13 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.121 0.533 18171
4281 1 13 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.168 0.009 18171
4282 1 13 . 1 1 15 15 ALA H H 15 8.245 8.245 7.542 0.703 18171
4283 1 13 . 1 1 16 16 MET N N 16 114.438 114.438 117.163 -2.725 18171
4284 1 13 . 1 1 16 16 MET HA H 16 4.234 4.234 4.307 -0.073 18171
4285 1 13 . 1 1 16 16 MET C C 16 178.930 178.930 178.599 0.331 18171
4286 1 13 . 1 1 16 16 MET CA C 16 58.011 58.011 58.140 -0.129 18171
4287 1 13 . 1 1 16 16 MET CB C 16 32.027 32.027 32.988 -0.961 18171
4288 1 13 . 1 1 16 16 MET H H 16 7.878 7.878 7.767 0.111 18171
4289 1 13 . 1 1 17 17 ALA N N 17 123.280 123.280 123.535 -0.255 18171
4290 1 13 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.188 -0.010 18171
4291 1 13 . 1 1 17 17 ALA C C 17 179.091 179.091 179.624 -0.533 18171
4292 1 13 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.926 -0.363 18171
4293 1 13 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.075 0.316 18171
4294 1 13 . 1 1 17 17 ALA H H 17 7.647 7.647 8.160 -0.513 18171
4295 1 13 . 1 1 18 18 PHE N N 18 114.808 114.808 116.067 -1.259 18171
4296 1 13 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.241 -0.123 18171
4297 1 13 . 1 1 18 18 PHE C C 18 175.169 175.169 176.445 -1.276 18171
4298 1 13 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.673 -1.239 18171
4299 1 13 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.722 0.321 18171
4300 1 13 . 1 1 18 18 PHE H H 18 8.032 8.032 8.621 -0.589 18171
4301 1 13 . 1 1 19 19 GLN N N 19 114.221 114.221 117.302 -3.081 18171
4302 1 13 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.325 -0.258 18171
4303 1 13 . 1 1 19 19 GLN C C 19 175.843 175.843 175.569 0.274 18171
4304 1 13 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.783 0.364 18171
4305 1 13 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.805 -0.185 18171
4306 1 13 . 1 1 19 19 GLN H H 19 7.414 7.414 7.605 -0.191 18171
4307 1 13 . 1 1 20 20 ASN N N 20 119.994 119.994 119.356 0.638 18171
4308 1 13 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.184 -0.301 18171
4309 1 13 . 1 1 20 20 ASN C C 20 174.726 174.726 174.030 0.696 18171
4310 1 13 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.388 0.213 18171
4311 1 13 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.473 -1.216 18171
4312 1 13 . 1 1 20 20 ASN H H 20 7.497 7.497 7.905 -0.408 18171
4313 1 13 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.429 -0.240 18171
4314 1 13 . 1 1 21 21 PRO C C 21 178.747 178.747 178.344 0.403 18171
4315 1 13 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.690 -0.644 18171
4316 1 13 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.081 0.039 18171
4317 1 13 . 1 1 22 22 ARG N N 22 117.899 117.899 118.737 -0.838 18171
4318 1 13 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.058 0.035 18171
4319 1 13 . 1 1 22 22 ARG C C 22 178.827 178.827 178.392 0.435 18171
4320 1 13 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.498 0.488 18171
4321 1 13 . 1 1 22 22 ARG CB C 22 30.431 30.431 28.899 1.532 18171
4322 1 13 . 1 1 22 22 ARG H H 22 8.066 8.066 8.732 -0.666 18171
4323 1 13 . 1 1 23 23 VAL N N 23 119.694 119.694 120.032 -0.338 18171
4324 1 13 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.730 -0.346 18171
4325 1 13 . 1 1 23 23 VAL C C 23 177.319 177.319 177.849 -0.530 18171
4326 1 13 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.203 -0.455 18171
4327 1 13 . 1 1 23 23 VAL CB C 23 31.521 31.521 30.821 0.700 18171
4328 1 13 . 1 1 23 23 VAL H H 23 7.199 7.199 7.551 -0.352 18171
4329 1 13 . 1 1 24 24 GLN N N 24 117.842 117.842 119.887 -2.045 18171
4330 1 13 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.788 -0.155 18171
4331 1 13 . 1 1 24 24 GLN C C 24 177.902 177.902 178.195 -0.293 18171
4332 1 13 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.274 0.395 18171
4333 1 13 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.571 -0.551 18171
4334 1 13 . 1 1 24 24 GLN H H 24 7.790 7.790 8.292 -0.502 18171
4335 1 13 . 1 1 25 25 ALA N N 25 119.267 119.267 120.693 -1.426 18171
4336 1 13 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.155 -0.109 18171
4337 1 13 . 1 1 25 25 ALA C C 25 179.854 179.854 179.192 0.662 18171
4338 1 13 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.449 0.597 18171
4339 1 13 . 1 1 25 25 ALA CB C 25 17.824 17.824 17.999 -0.175 18171
4340 1 13 . 1 1 25 25 ALA H H 25 7.808 7.808 8.389 -0.581 18171
4341 1 13 . 1 1 26 26 ALA N N 26 120.738 120.738 122.312 -1.574 18171
4342 1 13 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.692 0.229 18171
4343 1 13 . 1 1 26 26 ALA C C 26 179.988 179.988 179.721 0.267 18171
4344 1 13 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.536 0.663 18171
4345 1 13 . 1 1 26 26 ALA CB C 26 18.171 18.171 17.961 0.210 18171
4346 1 13 . 1 1 26 26 ALA H H 26 7.500 7.500 7.421 0.079 18171
4347 1 13 . 1 1 27 27 LEU N N 27 118.511 118.511 119.307 -0.796 18171
4348 1 13 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.148 -0.235 18171
4349 1 13 . 1 1 27 27 LEU C C 27 179.923 179.923 178.862 1.061 18171
4350 1 13 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.953 0.106 18171
4351 1 13 . 1 1 27 27 LEU CB C 27 40.928 40.928 42.012 -1.084 18171
4352 1 13 . 1 1 27 27 LEU H H 27 8.324 8.324 8.314 0.010 18171
4353 1 13 . 1 1 28 28 MET N N 28 118.681 118.681 118.014 0.667 18171
4354 1 13 . 1 1 28 28 MET HA H 28 4.144 4.144 4.060 0.084 18171
4355 1 13 . 1 1 28 28 MET C C 28 179.635 179.635 178.415 1.220 18171
4356 1 13 . 1 1 28 28 MET CA C 28 58.734 58.734 58.886 -0.152 18171
4357 1 13 . 1 1 28 28 MET CB C 28 31.901 31.901 32.532 -0.631 18171
4358 1 13 . 1 1 28 28 MET H H 28 8.127 8.127 8.123 0.004 18171
4359 1 13 . 1 1 29 29 GLU N N 29 119.813 119.813 118.903 0.910 18171
4360 1 13 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.173 0.053 18171
4361 1 13 . 1 1 29 29 GLU C C 29 180.544 180.544 178.938 1.606 18171
4362 1 13 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.834 0.862 18171
4363 1 13 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.991 -0.314 18171
4364 1 13 . 1 1 29 29 GLU H H 29 8.302 8.302 8.259 0.043 18171
4365 1 13 . 1 1 30 30 CYS N N 30 118.465 118.465 119.960 -1.495 18171
4366 1 13 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.270 0.183 18171
4367 1 13 . 1 1 30 30 CYS C C 30 175.357 175.357 175.916 -0.559 18171
4368 1 13 . 1 1 30 30 CYS CA C 30 62.482 62.482 61.980 0.502 18171
4369 1 13 . 1 1 30 30 CYS CB C 30 26.790 26.790 26.548 0.242 18171
4370 1 13 . 1 1 30 30 CYS H H 30 8.465 8.465 8.061 0.404 18171
4371 1 13 . 1 1 31 31 SER N N 31 114.366 114.366 113.814 0.552 18171
4372 1 13 . 1 1 31 31 SER HA H 31 4.174 4.174 4.252 -0.078 18171
4373 1 13 . 1 1 31 31 SER C C 31 175.371 175.371 176.193 -0.822 18171
4374 1 13 . 1 1 31 31 SER CA C 31 60.932 60.932 61.301 -0.369 18171
4375 1 13 . 1 1 31 31 SER CB C 31 62.749 62.749 63.229 -0.480 18171
4376 1 13 . 1 1 31 31 SER H H 31 7.859 7.859 7.716 0.143 18171
4377 1 13 . 1 1 32 32 GLU N N 32 119.996 119.996 119.691 0.305 18171
4378 1 13 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.262 -0.058 18171
4379 1 13 . 1 1 32 32 GLU C C 32 176.983 176.983 176.405 0.578 18171
4380 1 13 . 1 1 32 32 GLU CA C 32 57.972 57.972 57.856 0.116 18171
4381 1 13 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.471 -0.394 18171
4382 1 13 . 1 1 32 32 GLU H H 32 7.254 7.254 7.945 -0.691 18171
4383 1 13 . 1 1 33 33 ASN N N 33 113.026 113.026 112.074 0.952 18171
4384 1 13 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.957 0.016 18171
4385 1 13 . 1 1 33 33 ASN C C 33 173.504 173.504 172.914 0.590 18171
4386 1 13 . 1 1 33 33 ASN CA C 33 50.736 50.736 51.701 -0.965 18171
4387 1 13 . 1 1 33 33 ASN CB C 33 39.485 39.485 37.816 1.669 18171
4388 1 13 . 1 1 33 33 ASN H H 33 7.370 7.370 7.598 -0.228 18171
4389 1 13 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.312 0.262 18171
4390 1 13 . 1 1 34 34 PRO C C 34 178.270 178.270 177.705 0.565 18171
4391 1 13 . 1 1 34 34 PRO CA C 34 64.827 64.827 65.063 -0.236 18171
4392 1 13 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.813 -0.059 18171
4393 1 13 . 1 1 35 35 MET N N 35 115.258 115.258 116.089 -0.831 18171
4394 1 13 . 1 1 35 35 MET HA H 35 4.330 4.330 4.185 0.145 18171
4395 1 13 . 1 1 35 35 MET C C 35 178.569 178.569 176.619 1.950 18171
4396 1 13 . 1 1 35 35 MET CA C 35 57.050 57.050 57.287 -0.237 18171
4397 1 13 . 1 1 35 35 MET CB C 35 31.300 31.300 32.282 -0.982 18171
4398 1 13 . 1 1 35 35 MET H H 35 7.962 7.962 7.932 0.030 18171
4399 1 13 . 1 1 36 36 ASN N N 36 117.357 117.357 119.155 -1.798 18171
4400 1 13 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.555 0.018 18171
4401 1 13 . 1 1 36 36 ASN C C 36 176.470 176.470 177.407 -0.937 18171
4402 1 13 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.541 -0.415 18171
4403 1 13 . 1 1 36 36 ASN CB C 36 38.442 38.442 36.910 1.532 18171
4404 1 13 . 1 1 36 36 ASN H H 36 8.462 8.462 8.239 0.223 18171
4405 1 13 . 1 1 37 37 ILE N N 37 121.622 121.622 121.886 -0.264 18171
4406 1 13 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.795 0.315 18171
4407 1 13 . 1 1 37 37 ILE C C 37 177.331 177.331 177.233 0.098 18171
4408 1 13 . 1 1 37 37 ILE CA C 37 62.588 62.588 63.296 -0.708 18171
4409 1 13 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.861 0.154 18171
4410 1 13 . 1 1 37 37 ILE H H 37 7.820 7.820 7.400 0.420 18171
4411 1 13 . 1 1 38 38 MET N N 38 118.071 118.071 116.085 1.986 18171
4412 1 13 . 1 1 38 38 MET HA H 38 4.174 4.174 4.144 0.030 18171
4413 1 13 . 1 1 38 38 MET C C 38 178.456 178.456 177.346 1.110 18171
4414 1 13 . 1 1 38 38 MET CA C 38 57.563 57.563 57.084 0.478 18171
4415 1 13 . 1 1 38 38 MET CB C 38 31.533 31.533 31.459 0.074 18171
4416 1 13 . 1 1 38 38 MET H H 38 7.479 7.479 7.572 -0.093 18171
4417 1 13 . 1 1 39 39 LYS N N 39 117.427 117.427 118.400 -0.973 18171
4418 1 13 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.129 -0.182 18171
4419 1 13 . 1 1 39 39 LYS C C 39 177.456 177.456 178.574 -1.118 18171
4420 1 13 . 1 1 39 39 LYS CA C 39 58.012 58.012 57.856 0.156 18171
4421 1 13 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.448 -1.675 18171
4422 1 13 . 1 1 39 39 LYS H H 39 7.580 7.580 7.692 -0.112 18171
4423 1 13 . 1 1 40 40 TYR N N 40 116.049 116.049 119.126 -3.077 18171
4424 1 13 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.292 0.238 18171
4425 1 13 . 1 1 40 40 TYR C C 40 175.635 175.635 177.961 -2.326 18171
4426 1 13 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.873 -0.475 18171
4427 1 13 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.727 2.763 18171
4428 1 13 . 1 1 40 40 TYR H H 40 7.651 7.651 7.744 -0.093 18171
4429 1 13 . 1 1 41 41 GLN N N 41 116.626 116.626 119.997 -3.371 18171
4430 1 13 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.950 0.383 18171
4431 1 13 . 1 1 41 41 GLN C C 41 175.887 175.887 176.369 -0.482 18171
4432 1 13 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.657 -0.071 18171
4433 1 13 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.586 1.461 18171
4434 1 13 . 1 1 41 41 GLN H H 41 7.001 7.001 7.811 -0.810 18171
4435 1 13 . 1 1 42 42 ASN N N 42 114.491 114.491 116.123 -1.632 18171
4436 1 13 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.667 0.195 18171
4437 1 13 . 1 1 42 42 ASN C C 42 173.784 173.784 174.811 -1.027 18171
4438 1 13 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.775 -1.243 18171
4439 1 13 . 1 1 42 42 ASN CB C 42 38.588 38.588 40.026 -1.438 18171
4440 1 13 . 1 1 42 42 ASN H H 42 8.281 8.281 7.521 0.760 18171
4441 1 13 . 1 1 43 43 ASP N N 43 122.981 122.981 122.059 0.922 18171
4442 1 13 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.793 -0.038 18171
4443 1 13 . 1 1 43 43 ASP C C 43 174.773 174.773 176.394 -1.621 18171
4444 1 13 . 1 1 43 43 ASP CA C 43 52.607 52.607 52.928 -0.322 18171
4445 1 13 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.693 0.676 18171
4446 1 13 . 1 1 43 43 ASP H H 43 7.960 7.960 8.132 -0.172 18171
4447 1 13 . 1 1 44 44 LYS N N 44 125.893 125.893 126.318 -0.425 18171
4448 1 13 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.924 -0.064 18171
4449 1 13 . 1 1 44 44 LYS C C 44 177.796 177.796 178.572 -0.776 18171
4450 1 13 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.878 -0.082 18171
4451 1 13 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.420 0.116 18171
4452 1 13 . 1 1 44 44 LYS H H 44 8.361 8.361 7.999 0.362 18171
4453 1 13 . 1 1 45 45 GLU N N 45 116.698 116.698 119.326 -2.628 18171
4454 1 13 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.102 -0.035 18171
4455 1 13 . 1 1 45 45 GLU C C 45 178.724 178.724 178.928 -0.204 18171
4456 1 13 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.492 -0.037 18171
4457 1 13 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.167 0.590 18171
4458 1 13 . 1 1 45 45 GLU H H 45 8.127 8.127 7.991 0.136 18171
4459 1 13 . 1 1 46 46 VAL N N 46 117.476 117.476 119.757 -2.281 18171
4460 1 13 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.720 -0.306 18171
4461 1 13 . 1 1 46 46 VAL C C 46 177.879 177.879 178.032 -0.153 18171
4462 1 13 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.173 0.257 18171
4463 1 13 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.445 0.583 18171
4464 1 13 . 1 1 46 46 VAL H H 46 7.452 7.452 7.793 -0.341 18171
4465 1 13 . 1 1 47 47 MET N N 47 117.027 117.027 120.219 -3.192 18171
4466 1 13 . 1 1 47 47 MET HA H 47 4.479 4.479 4.009 0.470 18171
4467 1 13 . 1 1 47 47 MET C C 47 179.307 179.307 178.621 0.686 18171
4468 1 13 . 1 1 47 47 MET CA C 47 56.809 56.809 60.130 -3.321 18171
4469 1 13 . 1 1 47 47 MET CB C 47 30.371 30.371 32.141 -1.770 18171
4470 1 13 . 1 1 47 47 MET H H 47 8.542 8.542 8.260 0.282 18171
4471 1 13 . 1 1 48 48 ASP N N 48 119.811 119.811 119.643 0.168 18171
4472 1 13 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.401 0.091 18171
4473 1 13 . 1 1 48 48 ASP C C 48 179.136 179.136 179.067 0.069 18171
4474 1 13 . 1 1 48 48 ASP CA C 48 57.571 57.571 58.216 -0.645 18171
4475 1 13 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.690 -0.237 18171
4476 1 13 . 1 1 48 48 ASP H H 48 8.580 8.580 8.302 0.278 18171
4477 1 13 . 1 1 49 49 VAL N N 49 118.816 118.816 120.050 -1.234 18171
4478 1 13 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.764 -0.126 18171
4479 1 13 . 1 1 49 49 VAL C C 49 177.777 177.777 177.484 0.293 18171
4480 1 13 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.228 0.230 18171
4481 1 13 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.826 -0.760 18171
4482 1 13 . 1 1 49 49 VAL H H 49 7.319 7.319 7.608 -0.289 18171
4483 1 13 . 1 1 50 50 PHE N N 50 120.305 120.305 119.225 1.080 18171
4484 1 13 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.164 -0.028 18171
4485 1 13 . 1 1 50 50 PHE C C 50 178.505 178.505 178.070 0.435 18171
4486 1 13 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.471 -0.931 18171
4487 1 13 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.737 -0.428 18171
4488 1 13 . 1 1 50 50 PHE H H 50 8.529 8.529 9.140 -0.611 18171
4489 1 13 . 1 1 51 51 ASN N N 51 117.888 117.888 117.430 0.458 18171
4490 1 13 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.517 -0.102 18171
4491 1 13 . 1 1 51 51 ASN C C 51 177.863 177.863 177.135 0.728 18171
4492 1 13 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.929 0.239 18171
4493 1 13 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.622 -0.313 18171
4494 1 13 . 1 1 51 51 ASN H H 51 8.886 8.886 8.609 0.277 18171
4495 1 13 . 1 1 52 52 LYS N N 52 120.120 120.120 121.153 -1.033 18171
4496 1 13 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.049 0.061 18171
4497 1 13 . 1 1 52 52 LYS C C 52 179.002 179.002 178.403 0.599 18171
4498 1 13 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.029 -0.055 18171
4499 1 13 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.408 -0.353 18171
4500 1 13 . 1 1 52 52 LYS H H 52 7.760 7.760 7.131 0.629 18171
4501 1 13 . 1 1 53 53 ILE N N 53 117.988 117.988 119.489 -1.501 18171
4502 1 13 . 1 1 53 53 ILE HA H 53 3.757 3.757 2.766 0.991 18171
4503 1 13 . 1 1 53 53 ILE C C 53 177.686 177.686 177.476 0.210 18171
4504 1 13 . 1 1 53 53 ILE CA C 53 65.041 65.041 63.662 1.379 18171
4505 1 13 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.284 0.383 18171
4506 1 13 . 1 1 53 53 ILE H H 53 8.400 8.400 8.392 0.008 18171
4507 1 13 . 1 1 54 54 SER N N 54 114.267 114.267 112.652 1.615 18171
4508 1 13 . 1 1 54 54 SER HA H 54 4.050 4.050 4.226 -0.176 18171
4509 1 13 . 1 1 54 54 SER C C 54 175.690 175.690 175.930 -0.240 18171
4510 1 13 . 1 1 54 54 SER CA C 54 61.417 61.417 60.116 1.301 18171
4511 1 13 . 1 1 54 54 SER CB C 54 62.922 62.922 63.085 -0.163 18171
4512 1 13 . 1 1 54 54 SER H H 54 8.042 8.042 7.435 0.607 18171
4513 1 13 . 1 1 55 55 GLN N N 55 118.045 118.045 119.358 -1.313 18171
4514 1 13 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.154 -0.014 18171
4515 1 13 . 1 1 55 55 GLN C C 55 177.193 177.193 177.491 -0.298 18171
4516 1 13 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.835 -0.753 18171
4517 1 13 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.229 -0.509 18171
4518 1 13 . 1 1 55 55 GLN H H 55 7.415 7.415 7.470 -0.055 18171
4519 1 13 . 1 1 56 56 LEU N N 56 118.492 118.492 117.698 0.794 18171
4520 1 13 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.325 -0.292 18171
4521 1 13 . 1 1 56 56 LEU C C 56 176.578 176.578 176.886 -0.308 18171
4522 1 13 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.303 -0.398 18171
4523 1 13 . 1 1 56 56 LEU CB C 56 42.549 42.549 43.273 -0.724 18171
4524 1 13 . 1 1 56 56 LEU H H 56 7.732 7.732 8.037 -0.305 18171
4525 1 13 . 1 1 57 57 PHE N N 57 116.774 116.774 113.737 3.037 18171
4526 1 13 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.867 0.025 18171
4527 1 13 . 1 1 57 57 PHE C C 57 173.125 173.125 172.551 0.574 18171
4528 1 13 . 1 1 57 57 PHE CA C 57 55.211 55.211 54.816 0.394 18171
4529 1 13 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.468 0.555 18171
4530 1 13 . 1 1 57 57 PHE H H 57 7.629 7.629 7.284 0.345 18171
4531 1 13 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.255 0.225 18171
4532 1 13 . 1 1 58 58 PRO C C 58 178.090 178.090 178.124 -0.034 18171
4533 1 13 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.514 0.458 18171
4534 1 13 . 1 1 58 58 PRO CB C 58 30.927 30.927 30.637 0.290 18171
4535 1 13 . 1 1 59 59 GLY N N 59 108.335 108.335 112.968 -4.633 18171
4536 1 13 . 1 1 59 59 GLY C C 59 174.930 174.930 173.592 1.338 18171
4537 1 13 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.721 -0.337 18171
4538 1 13 . 1 1 59 59 GLY H H 59 8.411 8.411 8.447 -0.036 18171
4539 1 13 . 1 1 60 60 MET N N 60 119.206 119.206 119.158 0.048 18171
4540 1 13 . 1 1 60 60 MET HA H 60 4.467 4.467 4.771 -0.304 18171
4541 1 13 . 1 1 60 60 MET C C 60 176.320 176.320 175.534 0.786 18171
4542 1 13 . 1 1 60 60 MET CA C 60 56.395 56.395 55.477 0.917 18171
4543 1 13 . 1 1 60 60 MET CB C 60 32.964 32.964 34.391 -1.427 18171
4544 1 13 . 1 1 60 60 MET H H 60 8.053 8.053 8.009 0.044 18171
4545 1 13 . 1 1 61 61 THR N N 61 111.041 111.041 117.378 -6.337 18171
4546 1 13 . 1 1 61 61 THR HA H 61 4.402 4.402 4.235 0.167 18171
4547 1 13 . 1 1 61 61 THR C C 61 173.976 173.976 175.737 -1.761 18171
4548 1 13 . 1 1 61 61 THR CA C 61 61.233 61.233 63.307 -2.074 18171
4549 1 13 . 1 1 61 61 THR CB C 61 70.120 70.120 68.524 1.596 18171
4550 1 13 . 1 1 61 61 THR H H 61 7.880 7.880 8.231 -0.351 18171
4551 1 14 . 1 1 2 2 GLU N N 2 115.081 115.081 120.861 -5.780 18171
4552 1 14 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.070 -0.210 18171
4553 1 14 . 1 1 2 2 GLU C C 2 179.259 179.259 178.196 1.063 18171
4554 1 14 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.176 1.184 18171
4555 1 14 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.003 -0.277 18171
4556 1 14 . 1 1 2 2 GLU H H 2 8.756 8.756 9.147 -0.391 18171
4557 1 14 . 1 1 3 3 GLU N N 3 120.051 120.051 118.853 1.198 18171
4558 1 14 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.043 -0.027 18171
4559 1 14 . 1 1 3 3 GLU C C 3 178.863 178.863 178.827 0.036 18171
4560 1 14 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.032 -0.026 18171
4561 1 14 . 1 1 3 3 GLU CB C 3 30.365 30.365 28.944 1.421 18171
4562 1 14 . 1 1 3 3 GLU H H 3 7.722 7.722 8.520 -0.798 18171
4563 1 14 . 1 1 4 4 VAL N N 4 120.223 120.223 121.209 -0.986 18171
4564 1 14 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.852 -0.343 18171
4565 1 14 . 1 1 4 4 VAL C C 4 177.687 177.687 177.547 0.140 18171
4566 1 14 . 1 1 4 4 VAL CA C 4 66.667 66.667 64.557 2.110 18171
4567 1 14 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.469 0.072 18171
4568 1 14 . 1 1 4 4 VAL H H 4 7.815 7.815 7.449 0.366 18171
4569 1 14 . 1 1 5 5 ILE N N 5 118.475 118.475 119.773 -1.298 18171
4570 1 14 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.583 -0.083 18171
4571 1 14 . 1 1 5 5 ILE C C 5 177.638 177.638 178.067 -0.429 18171
4572 1 14 . 1 1 5 5 ILE CA C 5 64.361 64.361 65.169 -0.809 18171
4573 1 14 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.331 -0.195 18171
4574 1 14 . 1 1 5 5 ILE H H 5 8.293 8.293 8.064 0.229 18171
4575 1 14 . 1 1 6 6 SER N N 6 113.327 113.327 114.662 -1.335 18171
4576 1 14 . 1 1 6 6 SER HA H 6 4.034 4.034 4.230 -0.196 18171
4577 1 14 . 1 1 6 6 SER C C 6 176.398 176.398 176.357 0.041 18171
4578 1 14 . 1 1 6 6 SER CA C 6 61.781 61.781 61.258 0.523 18171
4579 1 14 . 1 1 6 6 SER CB C 6 62.770 62.770 62.691 0.079 18171
4580 1 14 . 1 1 6 6 SER H H 6 7.740 7.740 7.883 -0.143 18171
4581 1 14 . 1 1 7 7 LYS N N 7 119.755 119.755 122.541 -2.786 18171
4582 1 14 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.200 -0.057 18171
4583 1 14 . 1 1 7 7 LYS C C 7 179.622 179.622 178.755 0.867 18171
4584 1 14 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.532 -0.526 18171
4585 1 14 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.898 -0.156 18171
4586 1 14 . 1 1 7 7 LYS H H 7 7.523 7.523 7.824 -0.301 18171
4587 1 14 . 1 1 8 8 ILE N N 8 119.544 119.544 120.479 -0.935 18171
4588 1 14 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.877 -0.234 18171
4589 1 14 . 1 1 8 8 ILE C C 8 177.510 177.510 177.176 0.334 18171
4590 1 14 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.050 2.130 18171
4591 1 14 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.297 1.164 18171
4592 1 14 . 1 1 8 8 ILE H H 8 8.132 8.132 7.749 0.383 18171
4593 1 14 . 1 1 9 9 MET N N 9 114.616 114.616 118.059 -3.443 18171
4594 1 14 . 1 1 9 9 MET HA H 9 4.104 4.104 4.165 -0.061 18171
4595 1 14 . 1 1 9 9 MET C C 9 177.018 177.018 177.551 -0.533 18171
4596 1 14 . 1 1 9 9 MET CA C 9 56.601 56.601 56.753 -0.152 18171
4597 1 14 . 1 1 9 9 MET CB C 9 31.479 31.479 30.838 0.641 18171
4598 1 14 . 1 1 9 9 MET H H 9 7.835 7.835 7.540 0.295 18171
4599 1 14 . 1 1 10 10 GLU N N 10 116.206 116.206 118.843 -2.637 18171
4600 1 14 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.084 0.068 18171
4601 1 14 . 1 1 10 10 GLU C C 10 176.263 176.263 176.754 -0.491 18171
4602 1 14 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.338 -0.255 18171
4603 1 14 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.810 0.200 18171
4604 1 14 . 1 1 10 10 GLU H H 10 7.318 7.318 7.941 -0.623 18171
4605 1 14 . 1 1 11 11 ASN N N 11 119.007 119.007 118.024 0.983 18171
4606 1 14 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.070 0.071 18171
4607 1 14 . 1 1 11 11 ASN C C 11 173.093 173.093 173.139 -0.046 18171
4608 1 14 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.731 -0.022 18171
4609 1 14 . 1 1 11 11 ASN CB C 11 40.100 40.100 39.247 0.853 18171
4610 1 14 . 1 1 11 11 ASN H H 11 7.707 7.707 7.854 -0.147 18171
4611 1 14 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.061 0.222 18171
4612 1 14 . 1 1 12 12 PRO C C 12 177.932 177.932 177.329 0.603 18171
4613 1 14 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.269 -0.041 18171
4614 1 14 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.950 0.058 18171
4615 1 14 . 1 1 13 13 ASP N N 13 116.410 116.410 116.701 -0.291 18171
4616 1 14 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.430 -0.005 18171
4617 1 14 . 1 1 13 13 ASP C C 13 178.456 178.456 178.280 0.176 18171
4618 1 14 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.255 -0.447 18171
4619 1 14 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.916 -0.977 18171
4620 1 14 . 1 1 13 13 ASP H H 13 8.218 8.218 8.407 -0.189 18171
4621 1 14 . 1 1 14 14 VAL N N 14 120.053 120.053 120.562 -0.509 18171
4622 1 14 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.744 0.038 18171
4623 1 14 . 1 1 14 14 VAL C C 14 177.045 177.045 177.488 -0.443 18171
4624 1 14 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.451 -1.101 18171
4625 1 14 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.747 0.014 18171
4626 1 14 . 1 1 14 14 VAL H H 14 7.722 7.722 8.080 -0.358 18171
4627 1 14 . 1 1 15 15 ALA N N 15 121.814 121.814 122.104 -0.290 18171
4628 1 14 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.727 0.195 18171
4629 1 14 . 1 1 15 15 ALA C C 15 180.315 180.315 179.185 1.130 18171
4630 1 14 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.130 0.524 18171
4631 1 14 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.146 0.031 18171
4632 1 14 . 1 1 15 15 ALA H H 15 8.245 8.245 7.574 0.671 18171
4633 1 14 . 1 1 16 16 MET N N 16 114.438 114.438 117.097 -2.659 18171
4634 1 14 . 1 1 16 16 MET HA H 16 4.234 4.234 4.278 -0.044 18171
4635 1 14 . 1 1 16 16 MET C C 16 178.930 178.930 178.521 0.409 18171
4636 1 14 . 1 1 16 16 MET CA C 16 58.011 58.011 58.144 -0.133 18171
4637 1 14 . 1 1 16 16 MET CB C 16 32.027 32.027 32.842 -0.815 18171
4638 1 14 . 1 1 16 16 MET H H 16 7.878 7.878 7.782 0.096 18171
4639 1 14 . 1 1 17 17 ALA N N 17 123.280 123.280 123.479 -0.199 18171
4640 1 14 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.147 0.031 18171
4641 1 14 . 1 1 17 17 ALA C C 17 179.091 179.091 179.477 -0.386 18171
4642 1 14 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.854 -0.291 18171
4643 1 14 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.108 0.283 18171
4644 1 14 . 1 1 17 17 ALA H H 17 7.647 7.647 7.935 -0.288 18171
4645 1 14 . 1 1 18 18 PHE N N 18 114.808 114.808 116.431 -1.623 18171
4646 1 14 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.222 -0.104 18171
4647 1 14 . 1 1 18 18 PHE C C 18 175.169 175.169 176.653 -1.484 18171
4648 1 14 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.116 -0.682 18171
4649 1 14 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.616 0.427 18171
4650 1 14 . 1 1 18 18 PHE H H 18 8.032 8.032 8.718 -0.686 18171
4651 1 14 . 1 1 19 19 GLN N N 19 114.221 114.221 116.872 -2.651 18171
4652 1 14 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.254 -0.187 18171
4653 1 14 . 1 1 19 19 GLN C C 19 175.843 175.843 175.817 0.026 18171
4654 1 14 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.976 0.171 18171
4655 1 14 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.640 -0.020 18171
4656 1 14 . 1 1 19 19 GLN H H 19 7.414 7.414 7.537 -0.123 18171
4657 1 14 . 1 1 20 20 ASN N N 20 119.994 119.994 119.216 0.778 18171
4658 1 14 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.130 -0.247 18171
4659 1 14 . 1 1 20 20 ASN C C 20 174.726 174.726 174.012 0.714 18171
4660 1 14 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.548 0.053 18171
4661 1 14 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.425 -1.168 18171
4662 1 14 . 1 1 20 20 ASN H H 20 7.497 7.497 7.732 -0.235 18171
4663 1 14 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.343 -0.154 18171
4664 1 14 . 1 1 21 21 PRO C C 21 178.747 178.747 178.410 0.337 18171
4665 1 14 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.668 -0.622 18171
4666 1 14 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.141 -0.020 18171
4667 1 14 . 1 1 22 22 ARG N N 22 117.899 117.899 118.262 -0.363 18171
4668 1 14 . 1 1 22 22 ARG HA H 22 4.093 4.093 3.963 0.130 18171
4669 1 14 . 1 1 22 22 ARG C C 22 178.827 178.827 178.249 0.578 18171
4670 1 14 . 1 1 22 22 ARG CA C 22 58.986 58.986 59.326 -0.340 18171
4671 1 14 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.507 0.924 18171
4672 1 14 . 1 1 22 22 ARG H H 22 8.066 8.066 8.319 -0.253 18171
4673 1 14 . 1 1 23 23 VAL N N 23 119.694 119.694 119.720 -0.026 18171
4674 1 14 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.574 -0.190 18171
4675 1 14 . 1 1 23 23 VAL C C 23 177.319 177.319 177.586 -0.267 18171
4676 1 14 . 1 1 23 23 VAL CA C 23 65.748 65.748 65.971 -0.223 18171
4677 1 14 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.213 0.308 18171
4678 1 14 . 1 1 23 23 VAL H H 23 7.199 7.199 7.502 -0.303 18171
4679 1 14 . 1 1 24 24 GLN N N 24 117.842 117.842 119.049 -1.207 18171
4680 1 14 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.617 0.016 18171
4681 1 14 . 1 1 24 24 GLN C C 24 177.902 177.902 178.398 -0.496 18171
4682 1 14 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.145 0.524 18171
4683 1 14 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.310 -0.290 18171
4684 1 14 . 1 1 24 24 GLN H H 24 7.790 7.790 7.882 -0.092 18171
4685 1 14 . 1 1 25 25 ALA N N 25 119.267 119.267 121.013 -1.746 18171
4686 1 14 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.139 -0.093 18171
4687 1 14 . 1 1 25 25 ALA C C 25 179.854 179.854 179.206 0.648 18171
4688 1 14 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.443 0.603 18171
4689 1 14 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.010 -0.186 18171
4690 1 14 . 1 1 25 25 ALA H H 25 7.808 7.808 8.177 -0.369 18171
4691 1 14 . 1 1 26 26 ALA N N 26 120.738 120.738 122.740 -2.002 18171
4692 1 14 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.879 0.042 18171
4693 1 14 . 1 1 26 26 ALA C C 26 179.988 179.988 179.572 0.416 18171
4694 1 14 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.589 0.610 18171
4695 1 14 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.373 -0.202 18171
4696 1 14 . 1 1 26 26 ALA H H 26 7.500 7.500 7.427 0.073 18171
4697 1 14 . 1 1 27 27 LEU N N 27 118.511 118.511 119.247 -0.736 18171
4698 1 14 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.106 -0.193 18171
4699 1 14 . 1 1 27 27 LEU C C 27 179.923 179.923 178.826 1.097 18171
4700 1 14 . 1 1 27 27 LEU CA C 27 58.059 58.059 58.033 0.026 18171
4701 1 14 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.594 -0.666 18171
4702 1 14 . 1 1 27 27 LEU H H 27 8.324 8.324 8.232 0.092 18171
4703 1 14 . 1 1 28 28 MET N N 28 118.681 118.681 118.742 -0.061 18171
4704 1 14 . 1 1 28 28 MET HA H 28 4.144 4.144 4.026 0.118 18171
4705 1 14 . 1 1 28 28 MET C C 28 179.635 179.635 178.702 0.933 18171
4706 1 14 . 1 1 28 28 MET CA C 28 58.734 58.734 58.811 -0.077 18171
4707 1 14 . 1 1 28 28 MET CB C 28 31.901 31.901 32.635 -0.734 18171
4708 1 14 . 1 1 28 28 MET H H 28 8.127 8.127 8.073 0.054 18171
4709 1 14 . 1 1 29 29 GLU N N 29 119.813 119.813 119.498 0.315 18171
4710 1 14 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.149 0.077 18171
4711 1 14 . 1 1 29 29 GLU C C 29 180.544 180.544 178.852 1.692 18171
4712 1 14 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.930 0.766 18171
4713 1 14 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.736 -0.059 18171
4714 1 14 . 1 1 29 29 GLU H H 29 8.302 8.302 8.355 -0.053 18171
4715 1 14 . 1 1 30 30 CYS N N 30 118.465 118.465 118.632 -0.167 18171
4716 1 14 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.289 0.164 18171
4717 1 14 . 1 1 30 30 CYS C C 30 175.357 175.357 175.531 -0.174 18171
4718 1 14 . 1 1 30 30 CYS CA C 30 62.482 62.482 61.788 0.694 18171
4719 1 14 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.032 -0.242 18171
4720 1 14 . 1 1 30 30 CYS H H 30 8.465 8.465 7.961 0.504 18171
4721 1 14 . 1 1 31 31 SER N N 31 114.366 114.366 113.779 0.587 18171
4722 1 14 . 1 1 31 31 SER HA H 31 4.174 4.174 4.236 -0.062 18171
4723 1 14 . 1 1 31 31 SER C C 31 175.371 175.371 175.819 -0.448 18171
4724 1 14 . 1 1 31 31 SER CA C 31 60.932 60.932 60.894 0.038 18171
4725 1 14 . 1 1 31 31 SER CB C 31 62.749 62.749 63.087 -0.337 18171
4726 1 14 . 1 1 31 31 SER H H 31 7.859 7.859 7.805 0.054 18171
4727 1 14 . 1 1 32 32 GLU N N 32 119.996 119.996 119.845 0.151 18171
4728 1 14 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.250 -0.046 18171
4729 1 14 . 1 1 32 32 GLU C C 32 176.983 176.983 176.381 0.602 18171
4730 1 14 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.048 -0.076 18171
4731 1 14 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.397 -0.320 18171
4732 1 14 . 1 1 32 32 GLU H H 32 7.254 7.254 8.102 -0.848 18171
4733 1 14 . 1 1 33 33 ASN N N 33 113.026 113.026 112.037 0.989 18171
4734 1 14 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.887 0.086 18171
4735 1 14 . 1 1 33 33 ASN C C 33 173.504 173.504 173.261 0.243 18171
4736 1 14 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.459 -1.722 18171
4737 1 14 . 1 1 33 33 ASN CB C 33 39.485 39.485 39.129 0.356 18171
4738 1 14 . 1 1 33 33 ASN H H 33 7.370 7.370 7.365 0.005 18171
4739 1 14 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.327 0.247 18171
4740 1 14 . 1 1 34 34 PRO C C 34 178.270 178.270 177.820 0.450 18171
4741 1 14 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.887 -0.060 18171
4742 1 14 . 1 1 34 34 PRO CB C 34 31.754 31.754 32.029 -0.275 18171
4743 1 14 . 1 1 35 35 MET N N 35 115.258 115.258 113.426 1.832 18171
4744 1 14 . 1 1 35 35 MET HA H 35 4.330 4.330 4.296 0.034 18171
4745 1 14 . 1 1 35 35 MET C C 35 178.569 178.569 176.580 1.989 18171
4746 1 14 . 1 1 35 35 MET CA C 35 57.050 57.050 57.402 -0.352 18171
4747 1 14 . 1 1 35 35 MET CB C 35 31.300 31.300 31.464 -0.164 18171
4748 1 14 . 1 1 35 35 MET H H 35 7.962 7.962 7.690 0.272 18171
4749 1 14 . 1 1 36 36 ASN N N 36 117.357 117.357 119.570 -2.213 18171
4750 1 14 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.596 -0.023 18171
4751 1 14 . 1 1 36 36 ASN C C 36 176.470 176.470 177.355 -0.885 18171
4752 1 14 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.616 -0.490 18171
4753 1 14 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.349 1.093 18171
4754 1 14 . 1 1 36 36 ASN H H 36 8.462 8.462 8.314 0.148 18171
4755 1 14 . 1 1 37 37 ILE N N 37 121.622 121.622 121.863 -0.241 18171
4756 1 14 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.931 0.179 18171
4757 1 14 . 1 1 37 37 ILE C C 37 177.331 177.331 177.115 0.216 18171
4758 1 14 . 1 1 37 37 ILE CA C 37 62.588 62.588 62.524 0.064 18171
4759 1 14 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.675 0.340 18171
4760 1 14 . 1 1 37 37 ILE H H 37 7.820 7.820 7.398 0.422 18171
4761 1 14 . 1 1 38 38 MET N N 38 118.071 118.071 117.114 0.957 18171
4762 1 14 . 1 1 38 38 MET HA H 38 4.174 4.174 4.057 0.117 18171
4763 1 14 . 1 1 38 38 MET C C 38 178.456 178.456 177.241 1.215 18171
4764 1 14 . 1 1 38 38 MET CA C 38 57.563 57.563 58.309 -0.746 18171
4765 1 14 . 1 1 38 38 MET CB C 38 31.533 31.533 32.262 -0.729 18171
4766 1 14 . 1 1 38 38 MET H H 38 7.479 7.479 7.538 -0.059 18171
4767 1 14 . 1 1 39 39 LYS N N 39 117.427 117.427 118.317 -0.890 18171
4768 1 14 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.143 -0.196 18171
4769 1 14 . 1 1 39 39 LYS C C 39 177.456 177.456 178.600 -1.144 18171
4770 1 14 . 1 1 39 39 LYS CA C 39 58.012 58.012 58.124 -0.112 18171
4771 1 14 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.364 -1.591 18171
4772 1 14 . 1 1 39 39 LYS H H 39 7.580 7.580 7.501 0.079 18171
4773 1 14 . 1 1 40 40 TYR N N 40 116.049 116.049 119.021 -2.972 18171
4774 1 14 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.330 0.200 18171
4775 1 14 . 1 1 40 40 TYR C C 40 175.635 175.635 178.023 -2.388 18171
4776 1 14 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.993 -0.595 18171
4777 1 14 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.830 2.660 18171
4778 1 14 . 1 1 40 40 TYR H H 40 7.651 7.651 7.546 0.105 18171
4779 1 14 . 1 1 41 41 GLN N N 41 116.626 116.626 119.844 -3.218 18171
4780 1 14 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.944 0.389 18171
4781 1 14 . 1 1 41 41 GLN C C 41 175.887 175.887 176.932 -1.045 18171
4782 1 14 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.330 0.256 18171
4783 1 14 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.320 1.726 18171
4784 1 14 . 1 1 41 41 GLN H H 41 7.001 7.001 7.918 -0.917 18171
4785 1 14 . 1 1 42 42 ASN N N 42 114.491 114.491 116.593 -2.102 18171
4786 1 14 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.682 0.180 18171
4787 1 14 . 1 1 42 42 ASN C C 42 173.784 173.784 175.148 -1.364 18171
4788 1 14 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.745 -1.213 18171
4789 1 14 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.674 -1.086 18171
4790 1 14 . 1 1 42 42 ASN H H 42 8.281 8.281 7.593 0.688 18171
4791 1 14 . 1 1 43 43 ASP N N 43 122.981 122.981 121.844 1.137 18171
4792 1 14 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.781 -0.026 18171
4793 1 14 . 1 1 43 43 ASP C C 43 174.773 174.773 176.417 -1.644 18171
4794 1 14 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.001 -0.394 18171
4795 1 14 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.439 0.930 18171
4796 1 14 . 1 1 43 43 ASP H H 43 7.960 7.960 8.186 -0.226 18171
4797 1 14 . 1 1 44 44 LYS N N 44 125.893 125.893 125.460 0.433 18171
4798 1 14 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.895 -0.035 18171
4799 1 14 . 1 1 44 44 LYS C C 44 177.796 177.796 178.588 -0.792 18171
4800 1 14 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.903 -0.107 18171
4801 1 14 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.451 0.085 18171
4802 1 14 . 1 1 44 44 LYS H H 44 8.361 8.361 7.924 0.437 18171
4803 1 14 . 1 1 45 45 GLU N N 45 116.698 116.698 119.323 -2.625 18171
4804 1 14 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.105 -0.038 18171
4805 1 14 . 1 1 45 45 GLU C C 45 178.724 178.724 178.661 0.063 18171
4806 1 14 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.447 0.008 18171
4807 1 14 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.179 0.578 18171
4808 1 14 . 1 1 45 45 GLU H H 45 8.127 8.127 7.960 0.167 18171
4809 1 14 . 1 1 46 46 VAL N N 46 117.476 117.476 119.854 -2.378 18171
4810 1 14 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.720 -0.306 18171
4811 1 14 . 1 1 46 46 VAL C C 46 177.879 177.879 178.356 -0.477 18171
4812 1 14 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.236 0.194 18171
4813 1 14 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.250 0.778 18171
4814 1 14 . 1 1 46 46 VAL H H 46 7.452 7.452 7.833 -0.381 18171
4815 1 14 . 1 1 47 47 MET N N 47 117.027 117.027 119.599 -2.572 18171
4816 1 14 . 1 1 47 47 MET HA H 47 4.479 4.479 4.158 0.321 18171
4817 1 14 . 1 1 47 47 MET C C 47 179.307 179.307 178.782 0.525 18171
4818 1 14 . 1 1 47 47 MET CA C 47 56.809 56.809 58.355 -1.546 18171
4819 1 14 . 1 1 47 47 MET CB C 47 30.371 30.371 31.038 -0.667 18171
4820 1 14 . 1 1 47 47 MET H H 47 8.542 8.542 8.378 0.164 18171
4821 1 14 . 1 1 48 48 ASP N N 48 119.811 119.811 120.604 -0.793 18171
4822 1 14 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.405 0.087 18171
4823 1 14 . 1 1 48 48 ASP C C 48 179.136 179.136 179.206 -0.070 18171
4824 1 14 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.769 -0.198 18171
4825 1 14 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.338 0.115 18171
4826 1 14 . 1 1 48 48 ASP H H 48 8.580 8.580 8.315 0.265 18171
4827 1 14 . 1 1 49 49 VAL N N 49 118.816 118.816 119.687 -0.871 18171
4828 1 14 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.722 -0.084 18171
4829 1 14 . 1 1 49 49 VAL C C 49 177.777 177.777 177.264 0.513 18171
4830 1 14 . 1 1 49 49 VAL CA C 49 66.457 66.457 65.792 0.665 18171
4831 1 14 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.922 -0.856 18171
4832 1 14 . 1 1 49 49 VAL H H 49 7.319 7.319 7.493 -0.174 18171
4833 1 14 . 1 1 50 50 PHE N N 50 120.305 120.305 120.208 0.097 18171
4834 1 14 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.191 -0.055 18171
4835 1 14 . 1 1 50 50 PHE C C 50 178.505 178.505 177.469 1.036 18171
4836 1 14 . 1 1 50 50 PHE CA C 50 61.540 61.540 61.504 0.036 18171
4837 1 14 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.985 -0.676 18171
4838 1 14 . 1 1 50 50 PHE H H 50 8.529 8.529 8.921 -0.392 18171
4839 1 14 . 1 1 51 51 ASN N N 51 117.888 117.888 117.385 0.503 18171
4840 1 14 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.458 -0.043 18171
4841 1 14 . 1 1 51 51 ASN C C 51 177.863 177.863 177.070 0.793 18171
4842 1 14 . 1 1 51 51 ASN CA C 51 56.168 56.168 56.037 0.131 18171
4843 1 14 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.511 -0.202 18171
4844 1 14 . 1 1 51 51 ASN H H 51 8.886 8.886 8.794 0.092 18171
4845 1 14 . 1 1 52 52 LYS N N 52 120.120 120.120 121.726 -1.606 18171
4846 1 14 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.207 -0.097 18171
4847 1 14 . 1 1 52 52 LYS C C 52 179.002 179.002 178.716 0.286 18171
4848 1 14 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.294 -0.320 18171
4849 1 14 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.516 -0.461 18171
4850 1 14 . 1 1 52 52 LYS H H 52 7.760 7.760 7.524 0.236 18171
4851 1 14 . 1 1 53 53 ILE N N 53 117.988 117.988 119.103 -1.115 18171
4852 1 14 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.533 0.224 18171
4853 1 14 . 1 1 53 53 ILE C C 53 177.686 177.686 177.253 0.433 18171
4854 1 14 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.042 0.999 18171
4855 1 14 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.510 0.157 18171
4856 1 14 . 1 1 53 53 ILE H H 53 8.400 8.400 8.077 0.323 18171
4857 1 14 . 1 1 54 54 SER N N 54 114.267 114.267 112.041 2.226 18171
4858 1 14 . 1 1 54 54 SER HA H 54 4.050 4.050 4.353 -0.303 18171
4859 1 14 . 1 1 54 54 SER C C 54 175.690 175.690 176.253 -0.563 18171
4860 1 14 . 1 1 54 54 SER CA C 54 61.417 61.417 60.698 0.719 18171
4861 1 14 . 1 1 54 54 SER CB C 54 62.922 62.922 63.723 -0.801 18171
4862 1 14 . 1 1 54 54 SER H H 54 8.042 8.042 7.601 0.441 18171
4863 1 14 . 1 1 55 55 GLN N N 55 118.045 118.045 119.819 -1.774 18171
4864 1 14 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.350 -0.210 18171
4865 1 14 . 1 1 55 55 GLN C C 55 177.193 177.193 177.919 -0.726 18171
4866 1 14 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.655 -0.573 18171
4867 1 14 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.435 -0.715 18171
4868 1 14 . 1 1 55 55 GLN H H 55 7.415 7.415 7.702 -0.287 18171
4869 1 14 . 1 1 56 56 LEU N N 56 118.492 118.492 118.375 0.117 18171
4870 1 14 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.198 -0.165 18171
4871 1 14 . 1 1 56 56 LEU C C 56 176.578 176.578 176.959 -0.381 18171
4872 1 14 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.312 -0.407 18171
4873 1 14 . 1 1 56 56 LEU CB C 56 42.549 42.549 41.960 0.589 18171
4874 1 14 . 1 1 56 56 LEU H H 56 7.732 7.732 8.265 -0.533 18171
4875 1 14 . 1 1 57 57 PHE N N 57 116.774 116.774 116.936 -0.162 18171
4876 1 14 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.970 -0.078 18171
4877 1 14 . 1 1 57 57 PHE C C 57 173.125 173.125 173.420 -0.295 18171
4878 1 14 . 1 1 57 57 PHE CA C 57 55.211 55.211 54.349 0.862 18171
4879 1 14 . 1 1 57 57 PHE CB C 57 39.023 39.023 39.082 -0.059 18171
4880 1 14 . 1 1 57 57 PHE H H 57 7.629 7.629 7.835 -0.206 18171
4881 1 14 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.377 0.103 18171
4882 1 14 . 1 1 58 58 PRO C C 58 178.090 178.090 177.616 0.474 18171
4883 1 14 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.941 0.031 18171
4884 1 14 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.804 -0.877 18171
4885 1 14 . 1 1 59 59 GLY N N 59 108.335 108.335 111.599 -3.264 18171
4886 1 14 . 1 1 59 59 GLY C C 59 174.930 174.930 174.552 0.378 18171
4887 1 14 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.219 0.165 18171
4888 1 14 . 1 1 59 59 GLY H H 59 8.411 8.411 8.676 -0.265 18171
4889 1 14 . 1 1 60 60 MET N N 60 119.206 119.206 116.429 2.777 18171
4890 1 14 . 1 1 60 60 MET HA H 60 4.467 4.467 4.111 0.356 18171
4891 1 14 . 1 1 60 60 MET C C 60 176.320 176.320 174.217 2.103 18171
4892 1 14 . 1 1 60 60 MET CA C 60 56.395 56.395 57.194 -0.799 18171
4893 1 14 . 1 1 60 60 MET CB C 60 32.964 32.964 32.174 0.790 18171
4894 1 14 . 1 1 60 60 MET H H 60 8.053 8.053 8.090 -0.037 18171
4895 1 14 . 1 1 61 61 THR N N 61 111.041 111.041 115.711 -4.670 18171
4896 1 14 . 1 1 61 61 THR HA H 61 4.402 4.402 4.547 -0.145 18171
4897 1 14 . 1 1 61 61 THR C C 61 173.976 173.976 173.979 -0.003 18171
4898 1 14 . 1 1 61 61 THR CA C 61 61.233 61.233 61.736 -0.503 18171
4899 1 14 . 1 1 61 61 THR CB C 61 70.120 70.120 70.099 0.021 18171
4900 1 14 . 1 1 61 61 THR H H 61 7.880 7.880 8.164 -0.284 18171
4901 1 15 . 1 1 2 2 GLU N N 2 115.081 115.081 121.480 -6.399 18171
4902 1 15 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.062 -0.202 18171
4903 1 15 . 1 1 2 2 GLU C C 2 179.259 179.259 178.568 0.691 18171
4904 1 15 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.441 0.919 18171
4905 1 15 . 1 1 2 2 GLU CB C 2 28.726 28.726 28.881 -0.155 18171
4906 1 15 . 1 1 2 2 GLU H H 2 8.756 8.756 9.061 -0.305 18171
4907 1 15 . 1 1 3 3 GLU N N 3 120.051 120.051 119.575 0.476 18171
4908 1 15 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.096 -0.080 18171
4909 1 15 . 1 1 3 3 GLU C C 3 178.863 178.863 178.679 0.184 18171
4910 1 15 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.084 -0.078 18171
4911 1 15 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.108 1.257 18171
4912 1 15 . 1 1 3 3 GLU H H 3 7.722 7.722 8.469 -0.747 18171
4913 1 15 . 1 1 4 4 VAL N N 4 120.223 120.223 119.509 0.714 18171
4914 1 15 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.629 -0.120 18171
4915 1 15 . 1 1 4 4 VAL C C 4 177.687 177.687 178.031 -0.344 18171
4916 1 15 . 1 1 4 4 VAL CA C 4 66.667 66.667 66.142 0.525 18171
4917 1 15 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.252 0.289 18171
4918 1 15 . 1 1 4 4 VAL H H 4 7.815 7.815 7.868 -0.053 18171
4919 1 15 . 1 1 5 5 ILE N N 5 118.475 118.475 117.823 0.652 18171
4920 1 15 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.620 -0.120 18171
4921 1 15 . 1 1 5 5 ILE C C 5 177.638 177.638 177.859 -0.221 18171
4922 1 15 . 1 1 5 5 ILE CA C 5 64.361 64.361 65.044 -0.683 18171
4923 1 15 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.209 -0.073 18171
4924 1 15 . 1 1 5 5 ILE H H 5 8.293 8.293 8.112 0.181 18171
4925 1 15 . 1 1 6 6 SER N N 6 113.327 113.327 114.342 -1.015 18171
4926 1 15 . 1 1 6 6 SER HA H 6 4.034 4.034 4.203 -0.169 18171
4927 1 15 . 1 1 6 6 SER C C 6 176.398 176.398 176.257 0.141 18171
4928 1 15 . 1 1 6 6 SER CA C 6 61.781 61.781 60.747 1.034 18171
4929 1 15 . 1 1 6 6 SER CB C 6 62.770 62.770 62.858 -0.088 18171
4930 1 15 . 1 1 6 6 SER H H 6 7.740 7.740 7.880 -0.140 18171
4931 1 15 . 1 1 7 7 LYS N N 7 119.755 119.755 122.038 -2.283 18171
4932 1 15 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.094 0.049 18171
4933 1 15 . 1 1 7 7 LYS C C 7 179.622 179.622 178.786 0.836 18171
4934 1 15 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.606 -0.600 18171
4935 1 15 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.795 -0.053 18171
4936 1 15 . 1 1 7 7 LYS H H 7 7.523 7.523 7.864 -0.341 18171
4937 1 15 . 1 1 8 8 ILE N N 8 119.544 119.544 120.218 -0.674 18171
4938 1 15 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.676 -0.033 18171
4939 1 15 . 1 1 8 8 ILE C C 8 177.510 177.510 177.368 0.142 18171
4940 1 15 . 1 1 8 8 ILE CA C 8 65.180 65.180 62.631 2.549 18171
4941 1 15 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.337 1.124 18171
4942 1 15 . 1 1 8 8 ILE H H 8 8.132 8.132 7.607 0.525 18171
4943 1 15 . 1 1 9 9 MET N N 9 114.616 114.616 116.656 -2.040 18171
4944 1 15 . 1 1 9 9 MET HA H 9 4.104 4.104 4.052 0.052 18171
4945 1 15 . 1 1 9 9 MET C C 9 177.018 177.018 176.871 0.147 18171
4946 1 15 . 1 1 9 9 MET CA C 9 56.601 56.601 57.585 -0.984 18171
4947 1 15 . 1 1 9 9 MET CB C 9 31.479 31.479 31.689 -0.210 18171
4948 1 15 . 1 1 9 9 MET H H 9 7.835 7.835 7.413 0.422 18171
4949 1 15 . 1 1 10 10 GLU N N 10 116.206 116.206 117.860 -1.654 18171
4950 1 15 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.085 0.067 18171
4951 1 15 . 1 1 10 10 GLU C C 10 176.263 176.263 177.028 -0.765 18171
4952 1 15 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.449 -0.366 18171
4953 1 15 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.746 0.264 18171
4954 1 15 . 1 1 10 10 GLU H H 10 7.318 7.318 7.820 -0.502 18171
4955 1 15 . 1 1 11 11 ASN N N 11 119.007 119.007 117.176 1.831 18171
4956 1 15 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.114 0.027 18171
4957 1 15 . 1 1 11 11 ASN C C 11 173.093 173.093 173.238 -0.145 18171
4958 1 15 . 1 1 11 11 ASN CA C 11 50.709 50.709 51.223 -0.514 18171
4959 1 15 . 1 1 11 11 ASN CB C 11 40.100 40.100 39.855 0.245 18171
4960 1 15 . 1 1 11 11 ASN H H 11 7.707 7.707 7.876 -0.169 18171
4961 1 15 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.081 0.202 18171
4962 1 15 . 1 1 12 12 PRO C C 12 177.932 177.932 177.757 0.175 18171
4963 1 15 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.258 -0.031 18171
4964 1 15 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.850 0.158 18171
4965 1 15 . 1 1 13 13 ASP N N 13 116.410 116.410 116.961 -0.551 18171
4966 1 15 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.487 -0.062 18171
4967 1 15 . 1 1 13 13 ASP C C 13 178.456 178.456 178.325 0.131 18171
4968 1 15 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.164 -0.356 18171
4969 1 15 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.641 -0.702 18171
4970 1 15 . 1 1 13 13 ASP H H 13 8.218 8.218 8.370 -0.152 18171
4971 1 15 . 1 1 14 14 VAL N N 14 120.053 120.053 120.374 -0.321 18171
4972 1 15 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.811 -0.029 18171
4973 1 15 . 1 1 14 14 VAL C C 14 177.045 177.045 177.537 -0.492 18171
4974 1 15 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.757 -1.407 18171
4975 1 15 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.451 0.310 18171
4976 1 15 . 1 1 14 14 VAL H H 14 7.722 7.722 8.150 -0.428 18171
4977 1 15 . 1 1 15 15 ALA N N 15 121.814 121.814 122.917 -1.103 18171
4978 1 15 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.807 0.115 18171
4979 1 15 . 1 1 15 15 ALA C C 15 180.315 180.315 179.539 0.776 18171
4980 1 15 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.249 0.405 18171
4981 1 15 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.220 -0.042 18171
4982 1 15 . 1 1 15 15 ALA H H 15 8.245 8.245 7.585 0.660 18171
4983 1 15 . 1 1 16 16 MET N N 16 114.438 114.438 116.030 -1.592 18171
4984 1 15 . 1 1 16 16 MET HA H 16 4.234 4.234 4.352 -0.118 18171
4985 1 15 . 1 1 16 16 MET C C 16 178.930 178.930 178.993 -0.063 18171
4986 1 15 . 1 1 16 16 MET CA C 16 58.011 58.011 57.030 0.981 18171
4987 1 15 . 1 1 16 16 MET CB C 16 32.027 32.027 32.062 -0.035 18171
4988 1 15 . 1 1 16 16 MET H H 16 7.878 7.878 7.837 0.041 18171
4989 1 15 . 1 1 17 17 ALA N N 17 123.280 123.280 123.604 -0.324 18171
4990 1 15 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.205 -0.027 18171
4991 1 15 . 1 1 17 17 ALA C C 17 179.091 179.091 179.750 -0.659 18171
4992 1 15 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.857 -0.294 18171
4993 1 15 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.060 0.331 18171
4994 1 15 . 1 1 17 17 ALA H H 17 7.647 7.647 7.948 -0.301 18171
4995 1 15 . 1 1 18 18 PHE N N 18 114.808 114.808 116.023 -1.215 18171
4996 1 15 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.289 -0.171 18171
4997 1 15 . 1 1 18 18 PHE C C 18 175.169 175.169 176.622 -1.453 18171
4998 1 15 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.356 -0.922 18171
4999 1 15 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.660 0.383 18171
5000 1 15 . 1 1 18 18 PHE H H 18 8.032 8.032 8.718 -0.686 18171
5001 1 15 . 1 1 19 19 GLN N N 19 114.221 114.221 116.810 -2.589 18171
5002 1 15 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.365 -0.298 18171
5003 1 15 . 1 1 19 19 GLN C C 19 175.843 175.843 175.503 0.340 18171
5004 1 15 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.247 0.900 18171
5005 1 15 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.401 0.219 18171
5006 1 15 . 1 1 19 19 GLN H H 19 7.414 7.414 7.620 -0.206 18171
5007 1 15 . 1 1 20 20 ASN N N 20 119.994 119.994 119.904 0.090 18171
5008 1 15 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.185 -0.302 18171
5009 1 15 . 1 1 20 20 ASN C C 20 174.726 174.726 174.112 0.614 18171
5010 1 15 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.267 0.334 18171
5011 1 15 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.439 -1.182 18171
5012 1 15 . 1 1 20 20 ASN H H 20 7.497 7.497 7.882 -0.385 18171
5013 1 15 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.665 -0.476 18171
5014 1 15 . 1 1 21 21 PRO C C 21 178.747 178.747 178.588 0.159 18171
5015 1 15 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.491 -0.445 18171
5016 1 15 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.211 -0.090 18171
5017 1 15 . 1 1 22 22 ARG N N 22 117.899 117.899 118.330 -0.431 18171
5018 1 15 . 1 1 22 22 ARG HA H 22 4.093 4.093 3.967 0.126 18171
5019 1 15 . 1 1 22 22 ARG C C 22 178.827 178.827 178.243 0.584 18171
5020 1 15 . 1 1 22 22 ARG CA C 22 58.986 58.986 59.204 -0.218 18171
5021 1 15 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.014 1.417 18171
5022 1 15 . 1 1 22 22 ARG H H 22 8.066 8.066 8.405 -0.339 18171
5023 1 15 . 1 1 23 23 VAL N N 23 119.694 119.694 119.448 0.246 18171
5024 1 15 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.719 -0.335 18171
5025 1 15 . 1 1 23 23 VAL C C 23 177.319 177.319 177.915 -0.596 18171
5026 1 15 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.211 -0.463 18171
5027 1 15 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.046 0.475 18171
5028 1 15 . 1 1 23 23 VAL H H 23 7.199 7.199 7.796 -0.597 18171
5029 1 15 . 1 1 24 24 GLN N N 24 117.842 117.842 119.222 -1.380 18171
5030 1 15 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.770 -0.137 18171
5031 1 15 . 1 1 24 24 GLN C C 24 177.902 177.902 178.391 -0.489 18171
5032 1 15 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.284 0.385 18171
5033 1 15 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.312 -0.292 18171
5034 1 15 . 1 1 24 24 GLN H H 24 7.790 7.790 8.261 -0.471 18171
5035 1 15 . 1 1 25 25 ALA N N 25 119.267 119.267 120.896 -1.629 18171
5036 1 15 . 1 1 25 25 ALA HA H 25 4.046 4.046 3.991 0.055 18171
5037 1 15 . 1 1 25 25 ALA C C 25 179.854 179.854 178.770 1.084 18171
5038 1 15 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.715 0.331 18171
5039 1 15 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.224 -0.400 18171
5040 1 15 . 1 1 25 25 ALA H H 25 7.808 7.808 8.393 -0.585 18171
5041 1 15 . 1 1 26 26 ALA N N 26 120.738 120.738 122.184 -1.446 18171
5042 1 15 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.751 0.170 18171
5043 1 15 . 1 1 26 26 ALA C C 26 179.988 179.988 179.766 0.222 18171
5044 1 15 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.484 0.715 18171
5045 1 15 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.079 0.092 18171
5046 1 15 . 1 1 26 26 ALA H H 26 7.500 7.500 7.240 0.260 18171
5047 1 15 . 1 1 27 27 LEU N N 27 118.511 118.511 119.970 -1.459 18171
5048 1 15 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.228 -0.315 18171
5049 1 15 . 1 1 27 27 LEU C C 27 179.923 179.923 178.758 1.165 18171
5050 1 15 . 1 1 27 27 LEU CA C 27 58.059 58.059 58.154 -0.095 18171
5051 1 15 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.978 -1.050 18171
5052 1 15 . 1 1 27 27 LEU H H 27 8.324 8.324 8.408 -0.084 18171
5053 1 15 . 1 1 28 28 MET N N 28 118.681 118.681 118.211 0.470 18171
5054 1 15 . 1 1 28 28 MET HA H 28 4.144 4.144 4.038 0.106 18171
5055 1 15 . 1 1 28 28 MET C C 28 179.635 179.635 178.401 1.234 18171
5056 1 15 . 1 1 28 28 MET CA C 28 58.734 58.734 58.150 0.584 18171
5057 1 15 . 1 1 28 28 MET CB C 28 31.901 31.901 32.304 -0.403 18171
5058 1 15 . 1 1 28 28 MET H H 28 8.127 8.127 8.285 -0.158 18171
5059 1 15 . 1 1 29 29 GLU N N 29 119.813 119.813 118.398 1.415 18171
5060 1 15 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.212 0.014 18171
5061 1 15 . 1 1 29 29 GLU C C 29 180.544 180.544 179.215 1.329 18171
5062 1 15 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.784 0.912 18171
5063 1 15 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.518 0.159 18171
5064 1 15 . 1 1 29 29 GLU H H 29 8.302 8.302 8.174 0.128 18171
5065 1 15 . 1 1 30 30 CYS N N 30 118.465 118.465 119.353 -0.888 18171
5066 1 15 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.228 0.225 18171
5067 1 15 . 1 1 30 30 CYS C C 30 175.357 175.357 175.785 -0.428 18171
5068 1 15 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.589 -0.107 18171
5069 1 15 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.848 -1.058 18171
5070 1 15 . 1 1 30 30 CYS H H 30 8.465 8.465 7.839 0.626 18171
5071 1 15 . 1 1 31 31 SER N N 31 114.366 114.366 113.191 1.175 18171
5072 1 15 . 1 1 31 31 SER HA H 31 4.174 4.174 4.214 -0.040 18171
5073 1 15 . 1 1 31 31 SER C C 31 175.371 175.371 176.210 -0.839 18171
5074 1 15 . 1 1 31 31 SER CA C 31 60.932 60.932 61.127 -0.195 18171
5075 1 15 . 1 1 31 31 SER CB C 31 62.749 62.749 63.214 -0.465 18171
5076 1 15 . 1 1 31 31 SER H H 31 7.859 7.859 7.713 0.146 18171
5077 1 15 . 1 1 32 32 GLU N N 32 119.996 119.996 119.769 0.227 18171
5078 1 15 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.258 -0.054 18171
5079 1 15 . 1 1 32 32 GLU C C 32 176.983 176.983 176.660 0.323 18171
5080 1 15 . 1 1 32 32 GLU CA C 32 57.972 57.972 57.976 -0.004 18171
5081 1 15 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.400 -0.323 18171
5082 1 15 . 1 1 32 32 GLU H H 32 7.254 7.254 7.919 -0.665 18171
5083 1 15 . 1 1 33 33 ASN N N 33 113.026 113.026 112.207 0.819 18171
5084 1 15 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.972 0.001 18171
5085 1 15 . 1 1 33 33 ASN C C 33 173.504 173.504 172.927 0.577 18171
5086 1 15 . 1 1 33 33 ASN CA C 33 50.736 50.736 51.657 -0.921 18171
5087 1 15 . 1 1 33 33 ASN CB C 33 39.485 39.485 37.879 1.606 18171
5088 1 15 . 1 1 33 33 ASN H H 33 7.370 7.370 7.661 -0.291 18171
5089 1 15 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.341 0.233 18171
5090 1 15 . 1 1 34 34 PRO C C 34 178.270 178.270 177.643 0.627 18171
5091 1 15 . 1 1 34 34 PRO CA C 34 64.827 64.827 65.107 -0.280 18171
5092 1 15 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.827 -0.073 18171
5093 1 15 . 1 1 35 35 MET N N 35 115.258 115.258 115.338 -0.080 18171
5094 1 15 . 1 1 35 35 MET HA H 35 4.330 4.330 4.191 0.139 18171
5095 1 15 . 1 1 35 35 MET C C 35 178.569 178.569 177.353 1.216 18171
5096 1 15 . 1 1 35 35 MET CA C 35 57.050 57.050 57.846 -0.796 18171
5097 1 15 . 1 1 35 35 MET CB C 35 31.300 31.300 31.650 -0.350 18171
5098 1 15 . 1 1 35 35 MET H H 35 7.962 7.962 7.934 0.028 18171
5099 1 15 . 1 1 36 36 ASN N N 36 117.357 117.357 119.722 -2.365 18171
5100 1 15 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.431 0.142 18171
5101 1 15 . 1 1 36 36 ASN C C 36 176.470 176.470 177.622 -1.152 18171
5102 1 15 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.864 -0.738 18171
5103 1 15 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.263 1.179 18171
5104 1 15 . 1 1 36 36 ASN H H 36 8.462 8.462 8.331 0.131 18171
5105 1 15 . 1 1 37 37 ILE N N 37 121.622 121.622 121.687 -0.065 18171
5106 1 15 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.891 0.219 18171
5107 1 15 . 1 1 37 37 ILE C C 37 177.331 177.331 176.020 1.311 18171
5108 1 15 . 1 1 37 37 ILE CA C 37 62.588 62.588 62.305 0.283 18171
5109 1 15 . 1 1 37 37 ILE CB C 37 38.015 38.015 38.029 -0.014 18171
5110 1 15 . 1 1 37 37 ILE H H 37 7.820 7.820 7.369 0.451 18171
5111 1 15 . 1 1 38 38 MET N N 38 118.071 118.071 117.175 0.896 18171
5112 1 15 . 1 1 38 38 MET HA H 38 4.174 4.174 4.254 -0.080 18171
5113 1 15 . 1 1 38 38 MET C C 38 178.456 178.456 175.837 2.619 18171
5114 1 15 . 1 1 38 38 MET CA C 38 57.563 57.563 55.729 1.834 18171
5115 1 15 . 1 1 38 38 MET CB C 38 31.533 31.533 30.145 1.388 18171
5116 1 15 . 1 1 38 38 MET H H 38 7.479 7.479 7.673 -0.194 18171
5117 1 15 . 1 1 39 39 LYS N N 39 117.427 117.427 117.368 0.059 18171
5118 1 15 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.223 -0.276 18171
5119 1 15 . 1 1 39 39 LYS C C 39 177.456 177.456 177.640 -0.184 18171
5120 1 15 . 1 1 39 39 LYS CA C 39 58.012 58.012 56.748 1.264 18171
5121 1 15 . 1 1 39 39 LYS CB C 39 31.773 31.773 34.650 -2.877 18171
5122 1 15 . 1 1 39 39 LYS H H 39 7.580 7.580 7.888 -0.308 18171
5123 1 15 . 1 1 40 40 TYR N N 40 116.049 116.049 119.350 -3.301 18171
5124 1 15 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.466 0.064 18171
5125 1 15 . 1 1 40 40 TYR C C 40 175.635 175.635 177.756 -2.121 18171
5126 1 15 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.213 0.185 18171
5127 1 15 . 1 1 40 40 TYR CB C 40 39.490 39.490 37.355 2.135 18171
5128 1 15 . 1 1 40 40 TYR H H 40 7.651 7.651 7.264 0.387 18171
5129 1 15 . 1 1 41 41 GLN N N 41 116.626 116.626 119.134 -2.508 18171
5130 1 15 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.985 0.348 18171
5131 1 15 . 1 1 41 41 GLN C C 41 175.887 175.887 176.772 -0.885 18171
5132 1 15 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.836 -0.250 18171
5133 1 15 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.972 1.075 18171
5134 1 15 . 1 1 41 41 GLN H H 41 7.001 7.001 7.765 -0.764 18171
5135 1 15 . 1 1 42 42 ASN N N 42 114.491 114.491 113.620 0.871 18171
5136 1 15 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.600 0.262 18171
5137 1 15 . 1 1 42 42 ASN C C 42 173.784 173.784 175.667 -1.883 18171
5138 1 15 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.935 -1.403 18171
5139 1 15 . 1 1 42 42 ASN CB C 42 38.588 38.588 38.923 -0.335 18171
5140 1 15 . 1 1 42 42 ASN H H 42 8.281 8.281 7.612 0.669 18171
5141 1 15 . 1 1 43 43 ASP N N 43 122.981 122.981 122.445 0.536 18171
5142 1 15 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.573 0.182 18171
5143 1 15 . 1 1 43 43 ASP C C 43 174.773 174.773 176.415 -1.642 18171
5144 1 15 . 1 1 43 43 ASP CA C 43 52.607 52.607 54.210 -1.603 18171
5145 1 15 . 1 1 43 43 ASP CB C 43 41.369 41.369 41.111 0.258 18171
5146 1 15 . 1 1 43 43 ASP H H 43 7.960 7.960 8.018 -0.058 18171
5147 1 15 . 1 1 44 44 LYS N N 44 125.893 125.893 127.947 -2.054 18171
5148 1 15 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.925 -0.065 18171
5149 1 15 . 1 1 44 44 LYS C C 44 177.796 177.796 178.344 -0.548 18171
5150 1 15 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.495 0.301 18171
5151 1 15 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.499 0.037 18171
5152 1 15 . 1 1 44 44 LYS H H 44 8.361 8.361 8.226 0.135 18171
5153 1 15 . 1 1 45 45 GLU N N 45 116.698 116.698 118.602 -1.904 18171
5154 1 15 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.152 -0.085 18171
5155 1 15 . 1 1 45 45 GLU C C 45 178.724 178.724 178.881 -0.157 18171
5156 1 15 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.159 0.296 18171
5157 1 15 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.356 0.401 18171
5158 1 15 . 1 1 45 45 GLU H H 45 8.127 8.127 7.878 0.249 18171
5159 1 15 . 1 1 46 46 VAL N N 46 117.476 117.476 119.699 -2.223 18171
5160 1 15 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.829 -0.415 18171
5161 1 15 . 1 1 46 46 VAL C C 46 177.879 177.879 178.059 -0.180 18171
5162 1 15 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.139 0.291 18171
5163 1 15 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.308 0.720 18171
5164 1 15 . 1 1 46 46 VAL H H 46 7.452 7.452 7.646 -0.194 18171
5165 1 15 . 1 1 47 47 MET N N 47 117.027 117.027 119.253 -2.226 18171
5166 1 15 . 1 1 47 47 MET HA H 47 4.479 4.479 4.154 0.325 18171
5167 1 15 . 1 1 47 47 MET C C 47 179.307 179.307 177.864 1.443 18171
5168 1 15 . 1 1 47 47 MET CA C 47 56.809 56.809 59.760 -2.951 18171
5169 1 15 . 1 1 47 47 MET CB C 47 30.371 30.371 32.166 -1.796 18171
5170 1 15 . 1 1 47 47 MET H H 47 8.542 8.542 8.581 -0.039 18171
5171 1 15 . 1 1 48 48 ASP N N 48 119.811 119.811 120.664 -0.853 18171
5172 1 15 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.430 0.062 18171
5173 1 15 . 1 1 48 48 ASP C C 48 179.136 179.136 179.121 0.015 18171
5174 1 15 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.820 -0.249 18171
5175 1 15 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.832 -0.379 18171
5176 1 15 . 1 1 48 48 ASP H H 48 8.580 8.580 7.911 0.669 18171
5177 1 15 . 1 1 49 49 VAL N N 49 118.816 118.816 120.655 -1.839 18171
5178 1 15 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.703 -0.065 18171
5179 1 15 . 1 1 49 49 VAL C C 49 177.777 177.777 177.816 -0.039 18171
5180 1 15 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.614 -0.157 18171
5181 1 15 . 1 1 49 49 VAL CB C 49 31.066 31.066 32.207 -1.141 18171
5182 1 15 . 1 1 49 49 VAL H H 49 7.319 7.319 7.485 -0.166 18171
5183 1 15 . 1 1 50 50 PHE N N 50 120.305 120.305 119.265 1.040 18171
5184 1 15 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.207 -0.071 18171
5185 1 15 . 1 1 50 50 PHE C C 50 178.505 178.505 177.907 0.598 18171
5186 1 15 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.620 -1.080 18171
5187 1 15 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.745 -0.436 18171
5188 1 15 . 1 1 50 50 PHE H H 50 8.529 8.529 9.142 -0.613 18171
5189 1 15 . 1 1 51 51 ASN N N 51 117.888 117.888 117.078 0.810 18171
5190 1 15 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.590 -0.175 18171
5191 1 15 . 1 1 51 51 ASN C C 51 177.863 177.863 177.039 0.824 18171
5192 1 15 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.862 0.305 18171
5193 1 15 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.499 -0.190 18171
5194 1 15 . 1 1 51 51 ASN H H 51 8.886 8.886 8.631 0.255 18171
5195 1 15 . 1 1 52 52 LYS N N 52 120.120 120.120 122.162 -2.042 18171
5196 1 15 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.229 -0.119 18171
5197 1 15 . 1 1 52 52 LYS C C 52 179.002 179.002 178.490 0.512 18171
5198 1 15 . 1 1 52 52 LYS CA C 52 58.974 58.974 58.987 -0.013 18171
5199 1 15 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.573 -0.518 18171
5200 1 15 . 1 1 52 52 LYS H H 52 7.760 7.760 7.238 0.522 18171
5201 1 15 . 1 1 53 53 ILE N N 53 117.988 117.988 119.921 -1.933 18171
5202 1 15 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.507 0.250 18171
5203 1 15 . 1 1 53 53 ILE C C 53 177.686 177.686 177.517 0.169 18171
5204 1 15 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.931 0.110 18171
5205 1 15 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.801 -0.134 18171
5206 1 15 . 1 1 53 53 ILE H H 53 8.400 8.400 8.543 -0.143 18171
5207 1 15 . 1 1 54 54 SER N N 54 114.267 114.267 113.557 0.710 18171
5208 1 15 . 1 1 54 54 SER HA H 54 4.050 4.050 4.396 -0.346 18171
5209 1 15 . 1 1 54 54 SER C C 54 175.690 175.690 176.362 -0.672 18171
5210 1 15 . 1 1 54 54 SER CA C 54 61.417 61.417 60.245 1.172 18171
5211 1 15 . 1 1 54 54 SER CB C 54 62.922 62.922 62.883 0.039 18171
5212 1 15 . 1 1 54 54 SER H H 54 8.042 8.042 7.638 0.404 18171
5213 1 15 . 1 1 55 55 GLN N N 55 118.045 118.045 120.446 -2.401 18171
5214 1 15 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.073 0.067 18171
5215 1 15 . 1 1 55 55 GLN C C 55 177.193 177.193 177.637 -0.444 18171
5216 1 15 . 1 1 55 55 GLN CA C 55 57.082 57.082 58.350 -1.268 18171
5217 1 15 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.016 -0.296 18171
5218 1 15 . 1 1 55 55 GLN H H 55 7.415 7.415 7.406 0.009 18171
5219 1 15 . 1 1 56 56 LEU N N 56 118.492 118.492 117.585 0.907 18171
5220 1 15 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.140 -0.107 18171
5221 1 15 . 1 1 56 56 LEU C C 56 176.578 176.578 176.649 -0.071 18171
5222 1 15 . 1 1 56 56 LEU CA C 56 55.905 55.905 55.966 -0.061 18171
5223 1 15 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.602 -0.053 18171
5224 1 15 . 1 1 56 56 LEU H H 56 7.732 7.732 7.777 -0.045 18171
5225 1 15 . 1 1 57 57 PHE N N 57 116.774 116.774 115.912 0.862 18171
5226 1 15 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.906 -0.014 18171
5227 1 15 . 1 1 57 57 PHE C C 57 173.125 173.125 173.626 -0.501 18171
5228 1 15 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.592 1.619 18171
5229 1 15 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.460 0.563 18171
5230 1 15 . 1 1 57 57 PHE H H 57 7.629 7.629 7.150 0.479 18171
5231 1 15 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.645 -0.165 18171
5232 1 15 . 1 1 58 58 PRO C C 58 178.090 178.090 176.869 1.221 18171
5233 1 15 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.372 0.600 18171
5234 1 15 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.042 -0.115 18171
5235 1 15 . 1 1 59 59 GLY N N 59 108.335 108.335 107.618 0.717 18171
5236 1 15 . 1 1 59 59 GLY C C 59 174.930 174.930 173.660 1.270 18171
5237 1 15 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.100 0.284 18171
5238 1 15 . 1 1 59 59 GLY H H 59 8.411 8.411 8.078 0.333 18171
5239 1 15 . 1 1 60 60 MET N N 60 119.206 119.206 119.158 0.048 18171
5240 1 15 . 1 1 60 60 MET HA H 60 4.467 4.467 4.084 0.383 18171
5241 1 15 . 1 1 60 60 MET C C 60 176.320 176.320 175.574 0.746 18171
5242 1 15 . 1 1 60 60 MET CA C 60 56.395 56.395 55.333 1.062 18171
5243 1 15 . 1 1 60 60 MET CB C 60 32.964 32.964 31.591 1.373 18171
5244 1 15 . 1 1 60 60 MET H H 60 8.053 8.053 7.682 0.371 18171
5245 1 15 . 1 1 61 61 THR N N 61 111.041 111.041 115.219 -4.178 18171
5246 1 15 . 1 1 61 61 THR HA H 61 4.402 4.402 4.247 0.155 18171
5247 1 15 . 1 1 61 61 THR C C 61 173.976 173.976 175.090 -1.114 18171
5248 1 15 . 1 1 61 61 THR CA C 61 61.233 61.233 62.470 -1.237 18171
5249 1 15 . 1 1 61 61 THR CB C 61 70.120 70.120 68.289 1.831 18171
5250 1 15 . 1 1 61 61 THR H H 61 7.880 7.880 8.302 -0.422 18171
5251 1 16 . 1 1 2 2 GLU N N 2 115.081 115.081 121.137 -6.056 18171
5252 1 16 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.089 -0.229 18171
5253 1 16 . 1 1 2 2 GLU C C 2 179.259 179.259 178.574 0.685 18171
5254 1 16 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.417 0.943 18171
5255 1 16 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.504 -0.778 18171
5256 1 16 . 1 1 2 2 GLU H H 2 8.756 8.756 8.776 -0.020 18171
5257 1 16 . 1 1 3 3 GLU N N 3 120.051 120.051 119.580 0.471 18171
5258 1 16 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.125 -0.109 18171
5259 1 16 . 1 1 3 3 GLU C C 3 178.863 178.863 178.619 0.244 18171
5260 1 16 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.010 -0.004 18171
5261 1 16 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.217 1.148 18171
5262 1 16 . 1 1 3 3 GLU H H 3 7.722 7.722 8.545 -0.823 18171
5263 1 16 . 1 1 4 4 VAL N N 4 120.223 120.223 120.819 -0.596 18171
5264 1 16 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.755 -0.246 18171
5265 1 16 . 1 1 4 4 VAL C C 4 177.687 177.687 178.154 -0.467 18171
5266 1 16 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.693 0.974 18171
5267 1 16 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.335 0.205 18171
5268 1 16 . 1 1 4 4 VAL H H 4 7.815 7.815 7.860 -0.045 18171
5269 1 16 . 1 1 5 5 ILE N N 5 118.475 118.475 118.983 -0.508 18171
5270 1 16 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.691 -0.191 18171
5271 1 16 . 1 1 5 5 ILE C C 5 177.638 177.638 178.341 -0.703 18171
5272 1 16 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.611 -0.250 18171
5273 1 16 . 1 1 5 5 ILE CB C 5 37.136 37.136 36.411 0.725 18171
5274 1 16 . 1 1 5 5 ILE H H 5 8.293 8.293 8.498 -0.205 18171
5275 1 16 . 1 1 6 6 SER N N 6 113.327 113.327 114.655 -1.328 18171
5276 1 16 . 1 1 6 6 SER HA H 6 4.034 4.034 4.226 -0.192 18171
5277 1 16 . 1 1 6 6 SER C C 6 176.398 176.398 176.396 0.002 18171
5278 1 16 . 1 1 6 6 SER CA C 6 61.781 61.781 61.196 0.585 18171
5279 1 16 . 1 1 6 6 SER CB C 6 62.770 62.770 62.889 -0.119 18171
5280 1 16 . 1 1 6 6 SER H H 6 7.740 7.740 7.825 -0.085 18171
5281 1 16 . 1 1 7 7 LYS N N 7 119.755 119.755 121.980 -2.225 18171
5282 1 16 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.109 0.034 18171
5283 1 16 . 1 1 7 7 LYS C C 7 179.622 179.622 178.945 0.677 18171
5284 1 16 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.265 -0.259 18171
5285 1 16 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.857 -0.115 18171
5286 1 16 . 1 1 7 7 LYS H H 7 7.523 7.523 7.815 -0.292 18171
5287 1 16 . 1 1 8 8 ILE N N 8 119.544 119.544 120.199 -0.655 18171
5288 1 16 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.650 -0.007 18171
5289 1 16 . 1 1 8 8 ILE C C 8 177.510 177.510 177.361 0.149 18171
5290 1 16 . 1 1 8 8 ILE CA C 8 65.180 65.180 62.853 2.327 18171
5291 1 16 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.405 1.056 18171
5292 1 16 . 1 1 8 8 ILE H H 8 8.132 8.132 7.567 0.565 18171
5293 1 16 . 1 1 9 9 MET N N 9 114.616 114.616 118.152 -3.536 18171
5294 1 16 . 1 1 9 9 MET HA H 9 4.104 4.104 4.091 0.013 18171
5295 1 16 . 1 1 9 9 MET C C 9 177.018 177.018 177.119 -0.101 18171
5296 1 16 . 1 1 9 9 MET CA C 9 56.601 56.601 57.772 -1.171 18171
5297 1 16 . 1 1 9 9 MET CB C 9 31.479 31.479 31.712 -0.233 18171
5298 1 16 . 1 1 9 9 MET H H 9 7.835 7.835 7.502 0.333 18171
5299 1 16 . 1 1 10 10 GLU N N 10 116.206 116.206 118.602 -2.396 18171
5300 1 16 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.121 0.031 18171
5301 1 16 . 1 1 10 10 GLU C C 10 176.263 176.263 176.900 -0.637 18171
5302 1 16 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.325 -0.242 18171
5303 1 16 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.959 0.052 18171
5304 1 16 . 1 1 10 10 GLU H H 10 7.318 7.318 7.770 -0.452 18171
5305 1 16 . 1 1 11 11 ASN N N 11 119.007 119.007 118.010 0.997 18171
5306 1 16 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.107 0.034 18171
5307 1 16 . 1 1 11 11 ASN C C 11 173.093 173.093 173.105 -0.012 18171
5308 1 16 . 1 1 11 11 ASN CA C 11 50.709 50.709 51.329 -0.620 18171
5309 1 16 . 1 1 11 11 ASN CB C 11 40.100 40.100 38.760 1.340 18171
5310 1 16 . 1 1 11 11 ASN H H 11 7.707 7.707 7.973 -0.266 18171
5311 1 16 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.113 0.170 18171
5312 1 16 . 1 1 12 12 PRO C C 12 177.932 177.932 177.800 0.132 18171
5313 1 16 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.033 0.195 18171
5314 1 16 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.813 0.195 18171
5315 1 16 . 1 1 13 13 ASP N N 13 116.410 116.410 116.417 -0.007 18171
5316 1 16 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.439 -0.014 18171
5317 1 16 . 1 1 13 13 ASP C C 13 178.456 178.456 178.396 0.060 18171
5318 1 16 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.003 -0.194 18171
5319 1 16 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.606 -0.667 18171
5320 1 16 . 1 1 13 13 ASP H H 13 8.218 8.218 8.353 -0.135 18171
5321 1 16 . 1 1 14 14 VAL N N 14 120.053 120.053 120.549 -0.496 18171
5322 1 16 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.804 -0.022 18171
5323 1 16 . 1 1 14 14 VAL C C 14 177.045 177.045 177.639 -0.594 18171
5324 1 16 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.834 -1.484 18171
5325 1 16 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.364 0.397 18171
5326 1 16 . 1 1 14 14 VAL H H 14 7.722 7.722 8.169 -0.447 18171
5327 1 16 . 1 1 15 15 ALA N N 15 121.814 121.814 122.587 -0.773 18171
5328 1 16 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.799 0.123 18171
5329 1 16 . 1 1 15 15 ALA C C 15 180.315 180.315 179.338 0.977 18171
5330 1 16 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.072 0.582 18171
5331 1 16 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.174 0.003 18171
5332 1 16 . 1 1 15 15 ALA H H 15 8.245 8.245 7.438 0.807 18171
5333 1 16 . 1 1 16 16 MET N N 16 114.438 114.438 116.642 -2.204 18171
5334 1 16 . 1 1 16 16 MET HA H 16 4.234 4.234 4.275 -0.041 18171
5335 1 16 . 1 1 16 16 MET C C 16 178.930 178.930 178.887 0.043 18171
5336 1 16 . 1 1 16 16 MET CA C 16 58.011 58.011 58.498 -0.487 18171
5337 1 16 . 1 1 16 16 MET CB C 16 32.027 32.027 32.971 -0.944 18171
5338 1 16 . 1 1 16 16 MET H H 16 7.878 7.878 7.752 0.126 18171
5339 1 16 . 1 1 17 17 ALA N N 17 123.280 123.280 123.621 -0.341 18171
5340 1 16 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.204 -0.026 18171
5341 1 16 . 1 1 17 17 ALA C C 17 179.091 179.091 179.621 -0.530 18171
5342 1 16 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.993 -0.430 18171
5343 1 16 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.095 0.296 18171
5344 1 16 . 1 1 17 17 ALA H H 17 7.647 7.647 8.111 -0.464 18171
5345 1 16 . 1 1 18 18 PHE N N 18 114.808 114.808 116.142 -1.334 18171
5346 1 16 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.255 -0.137 18171
5347 1 16 . 1 1 18 18 PHE C C 18 175.169 175.169 176.616 -1.447 18171
5348 1 16 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.326 -0.892 18171
5349 1 16 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.683 0.360 18171
5350 1 16 . 1 1 18 18 PHE H H 18 8.032 8.032 8.592 -0.560 18171
5351 1 16 . 1 1 19 19 GLN N N 19 114.221 114.221 116.841 -2.620 18171
5352 1 16 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.338 -0.271 18171
5353 1 16 . 1 1 19 19 GLN C C 19 175.843 175.843 175.576 0.267 18171
5354 1 16 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.631 0.516 18171
5355 1 16 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.741 -0.121 18171
5356 1 16 . 1 1 19 19 GLN H H 19 7.414 7.414 7.588 -0.174 18171
5357 1 16 . 1 1 20 20 ASN N N 20 119.994 119.994 119.380 0.614 18171
5358 1 16 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.192 -0.309 18171
5359 1 16 . 1 1 20 20 ASN C C 20 174.726 174.726 173.949 0.777 18171
5360 1 16 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.415 0.186 18171
5361 1 16 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.566 -1.309 18171
5362 1 16 . 1 1 20 20 ASN H H 20 7.497 7.497 7.971 -0.474 18171
5363 1 16 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.475 -0.286 18171
5364 1 16 . 1 1 21 21 PRO C C 21 178.747 178.747 178.148 0.599 18171
5365 1 16 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.654 -0.608 18171
5366 1 16 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.197 -0.076 18171
5367 1 16 . 1 1 22 22 ARG N N 22 117.899 117.899 118.561 -0.662 18171
5368 1 16 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.073 0.020 18171
5369 1 16 . 1 1 22 22 ARG C C 22 178.827 178.827 178.507 0.320 18171
5370 1 16 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.474 0.512 18171
5371 1 16 . 1 1 22 22 ARG CB C 22 30.431 30.431 28.890 1.540 18171
5372 1 16 . 1 1 22 22 ARG H H 22 8.066 8.066 8.728 -0.662 18171
5373 1 16 . 1 1 23 23 VAL N N 23 119.694 119.694 120.194 -0.500 18171
5374 1 16 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.716 -0.332 18171
5375 1 16 . 1 1 23 23 VAL C C 23 177.319 177.319 177.892 -0.573 18171
5376 1 16 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.189 -0.441 18171
5377 1 16 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.263 0.258 18171
5378 1 16 . 1 1 23 23 VAL H H 23 7.199 7.199 7.708 -0.509 18171
5379 1 16 . 1 1 24 24 GLN N N 24 117.842 117.842 119.176 -1.334 18171
5380 1 16 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.733 -0.100 18171
5381 1 16 . 1 1 24 24 GLN C C 24 177.902 177.902 178.465 -0.563 18171
5382 1 16 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.239 0.430 18171
5383 1 16 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.372 -0.351 18171
5384 1 16 . 1 1 24 24 GLN H H 24 7.790 7.790 8.189 -0.399 18171
5385 1 16 . 1 1 25 25 ALA N N 25 119.267 119.267 120.933 -1.666 18171
5386 1 16 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.096 -0.050 18171
5387 1 16 . 1 1 25 25 ALA C C 25 179.854 179.854 178.918 0.936 18171
5388 1 16 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.497 0.549 18171
5389 1 16 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.134 -0.310 18171
5390 1 16 . 1 1 25 25 ALA H H 25 7.808 7.808 8.231 -0.423 18171
5391 1 16 . 1 1 26 26 ALA N N 26 120.738 120.738 122.602 -1.864 18171
5392 1 16 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.597 0.324 18171
5393 1 16 . 1 1 26 26 ALA C C 26 179.988 179.988 179.664 0.324 18171
5394 1 16 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.684 0.515 18171
5395 1 16 . 1 1 26 26 ALA CB C 26 18.171 18.171 17.988 0.182 18171
5396 1 16 . 1 1 26 26 ALA H H 26 7.500 7.500 7.491 0.009 18171
5397 1 16 . 1 1 27 27 LEU N N 27 118.511 118.511 118.993 -0.482 18171
5398 1 16 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.022 -0.109 18171
5399 1 16 . 1 1 27 27 LEU C C 27 179.923 179.923 178.987 0.936 18171
5400 1 16 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.908 0.151 18171
5401 1 16 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.721 -0.793 18171
5402 1 16 . 1 1 27 27 LEU H H 27 8.324 8.324 8.492 -0.168 18171
5403 1 16 . 1 1 28 28 MET N N 28 118.681 118.681 118.882 -0.201 18171
5404 1 16 . 1 1 28 28 MET HA H 28 4.144 4.144 4.029 0.115 18171
5405 1 16 . 1 1 28 28 MET C C 28 179.635 179.635 177.963 1.672 18171
5406 1 16 . 1 1 28 28 MET CA C 28 58.734 58.734 58.806 -0.072 18171
5407 1 16 . 1 1 28 28 MET CB C 28 31.901 31.901 32.796 -0.895 18171
5408 1 16 . 1 1 28 28 MET H H 28 8.127 8.127 8.166 -0.040 18171
5409 1 16 . 1 1 29 29 GLU N N 29 119.813 119.813 118.247 1.566 18171
5410 1 16 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.176 0.050 18171
5411 1 16 . 1 1 29 29 GLU C C 29 180.544 180.544 179.104 1.440 18171
5412 1 16 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.625 1.071 18171
5413 1 16 . 1 1 29 29 GLU CB C 29 29.677 29.677 30.040 -0.363 18171
5414 1 16 . 1 1 29 29 GLU H H 29 8.302 8.302 8.133 0.169 18171
5415 1 16 . 1 1 30 30 CYS N N 30 118.465 118.465 119.373 -0.908 18171
5416 1 16 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.171 0.282 18171
5417 1 16 . 1 1 30 30 CYS C C 30 175.357 175.357 175.764 -0.407 18171
5418 1 16 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.654 -0.173 18171
5419 1 16 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.904 -1.114 18171
5420 1 16 . 1 1 30 30 CYS H H 30 8.465 8.465 8.428 0.037 18171
5421 1 16 . 1 1 31 31 SER N N 31 114.366 114.366 113.905 0.461 18171
5422 1 16 . 1 1 31 31 SER HA H 31 4.174 4.174 4.210 -0.036 18171
5423 1 16 . 1 1 31 31 SER C C 31 175.371 175.371 175.529 -0.158 18171
5424 1 16 . 1 1 31 31 SER CA C 31 60.932 60.932 61.224 -0.292 18171
5425 1 16 . 1 1 31 31 SER CB C 31 62.749 62.749 62.811 -0.062 18171
5426 1 16 . 1 1 31 31 SER H H 31 7.859 7.859 7.806 0.053 18171
5427 1 16 . 1 1 32 32 GLU N N 32 119.996 119.996 119.979 0.017 18171
5428 1 16 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.224 -0.020 18171
5429 1 16 . 1 1 32 32 GLU C C 32 176.983 176.983 176.787 0.196 18171
5430 1 16 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.246 -0.274 18171
5431 1 16 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.534 -0.457 18171
5432 1 16 . 1 1 32 32 GLU H H 32 7.254 7.254 7.907 -0.653 18171
5433 1 16 . 1 1 33 33 ASN N N 33 113.026 113.026 112.718 0.308 18171
5434 1 16 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.908 0.065 18171
5435 1 16 . 1 1 33 33 ASN C C 33 173.504 173.504 173.255 0.249 18171
5436 1 16 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.656 -1.920 18171
5437 1 16 . 1 1 33 33 ASN CB C 33 39.485 39.485 38.714 0.771 18171
5438 1 16 . 1 1 33 33 ASN H H 33 7.370 7.370 7.566 -0.196 18171
5439 1 16 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.196 0.378 18171
5440 1 16 . 1 1 34 34 PRO C C 34 178.270 178.270 177.610 0.660 18171
5441 1 16 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.930 -0.103 18171
5442 1 16 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.948 -0.194 18171
5443 1 16 . 1 1 35 35 MET N N 35 115.258 115.258 112.659 2.599 18171
5444 1 16 . 1 1 35 35 MET HA H 35 4.330 4.330 4.260 0.070 18171
5445 1 16 . 1 1 35 35 MET C C 35 178.569 178.569 176.397 2.172 18171
5446 1 16 . 1 1 35 35 MET CA C 35 57.050 57.050 57.304 -0.254 18171
5447 1 16 . 1 1 35 35 MET CB C 35 31.300 31.300 31.347 -0.047 18171
5448 1 16 . 1 1 35 35 MET H H 35 7.962 7.962 7.689 0.273 18171
5449 1 16 . 1 1 36 36 ASN N N 36 117.357 117.357 119.278 -1.921 18171
5450 1 16 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.722 -0.149 18171
5451 1 16 . 1 1 36 36 ASN C C 36 176.470 176.470 177.684 -1.214 18171
5452 1 16 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.948 -0.822 18171
5453 1 16 . 1 1 36 36 ASN CB C 36 38.442 38.442 38.757 -0.315 18171
5454 1 16 . 1 1 36 36 ASN H H 36 8.462 8.462 8.002 0.460 18171
5455 1 16 . 1 1 37 37 ILE N N 37 121.622 121.622 122.750 -1.128 18171
5456 1 16 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.807 0.303 18171
5457 1 16 . 1 1 37 37 ILE C C 37 177.331 177.331 177.239 0.092 18171
5458 1 16 . 1 1 37 37 ILE CA C 37 62.588 62.588 63.218 -0.630 18171
5459 1 16 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.873 0.142 18171
5460 1 16 . 1 1 37 37 ILE H H 37 7.820 7.820 7.542 0.278 18171
5461 1 16 . 1 1 38 38 MET N N 38 118.071 118.071 116.413 1.658 18171
5462 1 16 . 1 1 38 38 MET HA H 38 4.174 4.174 4.132 0.042 18171
5463 1 16 . 1 1 38 38 MET C C 38 178.456 178.456 177.090 1.366 18171
5464 1 16 . 1 1 38 38 MET CA C 38 57.563 57.563 56.806 0.757 18171
5465 1 16 . 1 1 38 38 MET CB C 38 31.533 31.533 31.408 0.125 18171
5466 1 16 . 1 1 38 38 MET H H 38 7.479 7.479 7.561 -0.082 18171
5467 1 16 . 1 1 39 39 LYS N N 39 117.427 117.427 117.785 -0.358 18171
5468 1 16 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.265 -0.318 18171
5469 1 16 . 1 1 39 39 LYS C C 39 177.456 177.456 178.293 -0.837 18171
5470 1 16 . 1 1 39 39 LYS CA C 39 58.012 58.012 57.067 0.945 18171
5471 1 16 . 1 1 39 39 LYS CB C 39 31.773 31.773 34.016 -2.243 18171
5472 1 16 . 1 1 39 39 LYS H H 39 7.580 7.580 7.867 -0.287 18171
5473 1 16 . 1 1 40 40 TYR N N 40 116.049 116.049 119.078 -3.029 18171
5474 1 16 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.516 0.014 18171
5475 1 16 . 1 1 40 40 TYR C C 40 175.635 175.635 178.090 -2.455 18171
5476 1 16 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.136 0.262 18171
5477 1 16 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.707 2.783 18171
5478 1 16 . 1 1 40 40 TYR H H 40 7.651 7.651 7.494 0.157 18171
5479 1 16 . 1 1 41 41 GLN N N 41 116.626 116.626 118.916 -2.290 18171
5480 1 16 . 1 1 41 41 GLN HA H 41 4.333 4.333 4.046 0.287 18171
5481 1 16 . 1 1 41 41 GLN C C 41 175.887 175.887 176.312 -0.425 18171
5482 1 16 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.324 0.262 18171
5483 1 16 . 1 1 41 41 GLN CB C 41 29.047 29.047 28.360 0.687 18171
5484 1 16 . 1 1 41 41 GLN H H 41 7.001 7.001 7.700 -0.699 18171
5485 1 16 . 1 1 42 42 ASN N N 42 114.491 114.491 112.976 1.515 18171
5486 1 16 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.682 0.180 18171
5487 1 16 . 1 1 42 42 ASN C C 42 173.784 173.784 175.182 -1.398 18171
5488 1 16 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.292 -0.760 18171
5489 1 16 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.315 -0.726 18171
5490 1 16 . 1 1 42 42 ASN H H 42 8.281 8.281 7.476 0.805 18171
5491 1 16 . 1 1 43 43 ASP N N 43 122.981 122.981 121.921 1.060 18171
5492 1 16 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.675 0.080 18171
5493 1 16 . 1 1 43 43 ASP C C 43 174.773 174.773 176.595 -1.822 18171
5494 1 16 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.594 -0.987 18171
5495 1 16 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.770 0.599 18171
5496 1 16 . 1 1 43 43 ASP H H 43 7.960 7.960 7.913 0.047 18171
5497 1 16 . 1 1 44 44 LYS N N 44 125.893 125.893 126.753 -0.860 18171
5498 1 16 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.926 -0.066 18171
5499 1 16 . 1 1 44 44 LYS C C 44 177.796 177.796 178.748 -0.952 18171
5500 1 16 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.822 -0.026 18171
5501 1 16 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.396 0.140 18171
5502 1 16 . 1 1 44 44 LYS H H 44 8.361 8.361 8.110 0.251 18171
5503 1 16 . 1 1 45 45 GLU N N 45 116.698 116.698 118.797 -2.099 18171
5504 1 16 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.125 -0.058 18171
5505 1 16 . 1 1 45 45 GLU C C 45 178.724 178.724 178.739 -0.015 18171
5506 1 16 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.312 0.143 18171
5507 1 16 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.430 0.327 18171
5508 1 16 . 1 1 45 45 GLU H H 45 8.127 8.127 8.064 0.063 18171
5509 1 16 . 1 1 46 46 VAL N N 46 117.476 117.476 119.544 -2.068 18171
5510 1 16 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.705 -0.291 18171
5511 1 16 . 1 1 46 46 VAL C C 46 177.879 177.879 178.041 -0.162 18171
5512 1 16 . 1 1 46 46 VAL CA C 46 66.430 66.430 65.826 0.604 18171
5513 1 16 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.755 0.273 18171
5514 1 16 . 1 1 46 46 VAL H H 46 7.452 7.452 7.546 -0.094 18171
5515 1 16 . 1 1 47 47 MET N N 47 117.027 117.027 120.345 -3.318 18171
5516 1 16 . 1 1 47 47 MET HA H 47 4.479 4.479 4.003 0.476 18171
5517 1 16 . 1 1 47 47 MET C C 47 179.307 179.307 178.256 1.051 18171
5518 1 16 . 1 1 47 47 MET CA C 47 56.809 56.809 60.437 -3.628 18171
5519 1 16 . 1 1 47 47 MET CB C 47 30.371 30.371 32.269 -1.898 18171
5520 1 16 . 1 1 47 47 MET H H 47 8.542 8.542 8.628 -0.086 18171
5521 1 16 . 1 1 48 48 ASP N N 48 119.811 119.811 119.777 0.034 18171
5522 1 16 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.440 0.052 18171
5523 1 16 . 1 1 48 48 ASP C C 48 179.136 179.136 179.062 0.074 18171
5524 1 16 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.759 -0.188 18171
5525 1 16 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.647 -0.194 18171
5526 1 16 . 1 1 48 48 ASP H H 48 8.580 8.580 8.267 0.313 18171
5527 1 16 . 1 1 49 49 VAL N N 49 118.816 118.816 120.411 -1.595 18171
5528 1 16 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.819 -0.181 18171
5529 1 16 . 1 1 49 49 VAL C C 49 177.777 177.777 177.702 0.075 18171
5530 1 16 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.291 0.166 18171
5531 1 16 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.918 -0.852 18171
5532 1 16 . 1 1 49 49 VAL H H 49 7.319 7.319 7.568 -0.249 18171
5533 1 16 . 1 1 50 50 PHE N N 50 120.305 120.305 119.287 1.018 18171
5534 1 16 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.210 -0.074 18171
5535 1 16 . 1 1 50 50 PHE C C 50 178.505 178.505 178.025 0.480 18171
5536 1 16 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.601 -1.061 18171
5537 1 16 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.803 -0.494 18171
5538 1 16 . 1 1 50 50 PHE H H 50 8.529 8.529 9.162 -0.633 18171
5539 1 16 . 1 1 51 51 ASN N N 51 117.888 117.888 117.551 0.337 18171
5540 1 16 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.576 -0.161 18171
5541 1 16 . 1 1 51 51 ASN C C 51 177.863 177.863 177.060 0.803 18171
5542 1 16 . 1 1 51 51 ASN CA C 51 56.168 56.168 56.051 0.117 18171
5543 1 16 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.548 -0.239 18171
5544 1 16 . 1 1 51 51 ASN H H 51 8.886 8.886 8.545 0.341 18171
5545 1 16 . 1 1 52 52 LYS N N 52 120.120 120.120 120.605 -0.485 18171
5546 1 16 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.050 0.060 18171
5547 1 16 . 1 1 52 52 LYS C C 52 179.002 179.002 178.375 0.627 18171
5548 1 16 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.050 -0.076 18171
5549 1 16 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.314 -0.259 18171
5550 1 16 . 1 1 52 52 LYS H H 52 7.760 7.760 7.152 0.608 18171
5551 1 16 . 1 1 53 53 ILE N N 53 117.988 117.988 119.810 -1.822 18171
5552 1 16 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.535 0.222 18171
5553 1 16 . 1 1 53 53 ILE C C 53 177.686 177.686 177.626 0.060 18171
5554 1 16 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.989 0.052 18171
5555 1 16 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.853 -0.186 18171
5556 1 16 . 1 1 53 53 ILE H H 53 8.400 8.400 8.556 -0.156 18171
5557 1 16 . 1 1 54 54 SER N N 54 114.267 114.267 113.355 0.912 18171
5558 1 16 . 1 1 54 54 SER HA H 54 4.050 4.050 4.241 -0.191 18171
5559 1 16 . 1 1 54 54 SER C C 54 175.690 175.690 175.895 -0.205 18171
5560 1 16 . 1 1 54 54 SER CA C 54 61.417 61.417 60.512 0.905 18171
5561 1 16 . 1 1 54 54 SER CB C 54 62.922 62.922 63.346 -0.424 18171
5562 1 16 . 1 1 54 54 SER H H 54 8.042 8.042 7.594 0.448 18171
5563 1 16 . 1 1 55 55 GLN N N 55 118.045 118.045 119.068 -1.023 18171
5564 1 16 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.122 0.018 18171
5565 1 16 . 1 1 55 55 GLN C C 55 177.193 177.193 177.803 -0.610 18171
5566 1 16 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.950 -0.868 18171
5567 1 16 . 1 1 55 55 GLN CB C 55 28.720 28.720 28.935 -0.215 18171
5568 1 16 . 1 1 55 55 GLN H H 55 7.415 7.415 7.528 -0.113 18171
5569 1 16 . 1 1 56 56 LEU N N 56 118.492 118.492 117.437 1.055 18171
5570 1 16 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.086 -0.053 18171
5571 1 16 . 1 1 56 56 LEU C C 56 176.578 176.578 176.383 0.195 18171
5572 1 16 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.119 -0.214 18171
5573 1 16 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.640 -0.091 18171
5574 1 16 . 1 1 56 56 LEU H H 56 7.732 7.732 7.824 -0.092 18171
5575 1 16 . 1 1 57 57 PHE N N 57 116.774 116.774 114.342 2.432 18171
5576 1 16 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.901 -0.009 18171
5577 1 16 . 1 1 57 57 PHE C C 57 173.125 173.125 174.034 -0.909 18171
5578 1 16 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.677 1.534 18171
5579 1 16 . 1 1 57 57 PHE CB C 57 39.023 39.023 37.825 1.198 18171
5580 1 16 . 1 1 57 57 PHE H H 57 7.629 7.629 7.297 0.332 18171
5581 1 16 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.489 -0.009 18171
5582 1 16 . 1 1 58 58 PRO C C 58 178.090 178.090 177.078 1.012 18171
5583 1 16 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.718 0.255 18171
5584 1 16 . 1 1 58 58 PRO CB C 58 30.927 30.927 30.940 -0.013 18171
5585 1 16 . 1 1 59 59 GLY N N 59 108.335 108.335 106.265 2.070 18171
5586 1 16 . 1 1 59 59 GLY C C 59 174.930 174.930 173.819 1.111 18171
5587 1 16 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.114 0.270 18171
5588 1 16 . 1 1 59 59 GLY H H 59 8.411 8.411 7.970 0.441 18171
5589 1 16 . 1 1 60 60 MET N N 60 119.206 119.206 118.883 0.323 18171
5590 1 16 . 1 1 60 60 MET HA H 60 4.467 4.467 4.095 0.372 18171
5591 1 16 . 1 1 60 60 MET C C 60 176.320 176.320 175.644 0.676 18171
5592 1 16 . 1 1 60 60 MET CA C 60 56.395 56.395 55.228 1.167 18171
5593 1 16 . 1 1 60 60 MET CB C 60 32.964 32.964 29.827 3.137 18171
5594 1 16 . 1 1 60 60 MET H H 60 8.053 8.053 7.797 0.256 18171
5595 1 16 . 1 1 61 61 THR N N 61 111.041 111.041 116.782 -5.741 18171
5596 1 16 . 1 1 61 61 THR HA H 61 4.402 4.402 4.267 0.135 18171
5597 1 16 . 1 1 61 61 THR C C 61 173.976 173.976 175.758 -1.782 18171
5598 1 16 . 1 1 61 61 THR CA C 61 61.233 61.233 62.297 -1.064 18171
5599 1 16 . 1 1 61 61 THR CB C 61 70.120 70.120 70.084 0.036 18171
5600 1 16 . 1 1 61 61 THR H H 61 7.880 7.880 8.144 -0.264 18171
5601 1 17 . 1 1 2 2 GLU N N 2 115.081 115.081 121.176 -6.095 18171
5602 1 17 . 1 1 2 2 GLU HA H 2 3.860 3.860 3.977 -0.117 18171
5603 1 17 . 1 1 2 2 GLU C C 2 179.259 179.259 177.969 1.290 18171
5604 1 17 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.135 1.225 18171
5605 1 17 . 1 1 2 2 GLU CB C 2 28.726 28.726 28.858 -0.132 18171
5606 1 17 . 1 1 2 2 GLU H H 2 8.756 8.756 9.042 -0.286 18171
5607 1 17 . 1 1 3 3 GLU N N 3 120.051 120.051 119.796 0.255 18171
5608 1 17 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.059 -0.043 18171
5609 1 17 . 1 1 3 3 GLU C C 3 178.863 178.863 179.027 -0.164 18171
5610 1 17 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.058 -0.052 18171
5611 1 17 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.061 1.304 18171
5612 1 17 . 1 1 3 3 GLU H H 3 7.722 7.722 8.592 -0.870 18171
5613 1 17 . 1 1 4 4 VAL N N 4 120.223 120.223 119.773 0.450 18171
5614 1 17 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.575 -0.066 18171
5615 1 17 . 1 1 4 4 VAL C C 4 177.687 177.687 178.106 -0.419 18171
5616 1 17 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.956 0.711 18171
5617 1 17 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.640 -0.099 18171
5618 1 17 . 1 1 4 4 VAL H H 4 7.815 7.815 7.435 0.380 18171
5619 1 17 . 1 1 5 5 ILE N N 5 118.475 118.475 118.737 -0.262 18171
5620 1 17 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.637 -0.137 18171
5621 1 17 . 1 1 5 5 ILE C C 5 177.638 177.638 178.220 -0.582 18171
5622 1 17 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.971 -0.610 18171
5623 1 17 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.309 -0.173 18171
5624 1 17 . 1 1 5 5 ILE H H 5 8.293 8.293 7.843 0.450 18171
5625 1 17 . 1 1 6 6 SER N N 6 113.327 113.327 114.678 -1.351 18171
5626 1 17 . 1 1 6 6 SER HA H 6 4.034 4.034 4.249 -0.215 18171
5627 1 17 . 1 1 6 6 SER C C 6 176.398 176.398 176.503 -0.105 18171
5628 1 17 . 1 1 6 6 SER CA C 6 61.781 61.781 61.075 0.706 18171
5629 1 17 . 1 1 6 6 SER CB C 6 62.770 62.770 62.950 -0.180 18171
5630 1 17 . 1 1 6 6 SER H H 6 7.740 7.740 8.045 -0.305 18171
5631 1 17 . 1 1 7 7 LYS N N 7 119.755 119.755 122.173 -2.418 18171
5632 1 17 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.200 -0.057 18171
5633 1 17 . 1 1 7 7 LYS C C 7 179.622 179.622 179.042 0.580 18171
5634 1 17 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.629 -0.623 18171
5635 1 17 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.919 -0.177 18171
5636 1 17 . 1 1 7 7 LYS H H 7 7.523 7.523 8.023 -0.500 18171
5637 1 17 . 1 1 8 8 ILE N N 8 119.544 119.544 120.288 -0.744 18171
5638 1 17 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.854 -0.211 18171
5639 1 17 . 1 1 8 8 ILE C C 8 177.510 177.510 177.015 0.495 18171
5640 1 17 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.052 2.128 18171
5641 1 17 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.336 1.125 18171
5642 1 17 . 1 1 8 8 ILE H H 8 8.132 8.132 7.723 0.409 18171
5643 1 17 . 1 1 9 9 MET N N 9 114.616 114.616 115.705 -1.089 18171
5644 1 17 . 1 1 9 9 MET HA H 9 4.104 4.104 4.187 -0.083 18171
5645 1 17 . 1 1 9 9 MET C C 9 177.018 177.018 176.787 0.231 18171
5646 1 17 . 1 1 9 9 MET CA C 9 56.601 56.601 57.479 -0.878 18171
5647 1 17 . 1 1 9 9 MET CB C 9 31.479 31.479 31.840 -0.361 18171
5648 1 17 . 1 1 9 9 MET H H 9 7.835 7.835 7.496 0.339 18171
5649 1 17 . 1 1 10 10 GLU N N 10 116.206 116.206 118.291 -2.085 18171
5650 1 17 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.021 0.131 18171
5651 1 17 . 1 1 10 10 GLU C C 10 176.263 176.263 177.147 -0.884 18171
5652 1 17 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.743 -0.660 18171
5653 1 17 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.698 0.312 18171
5654 1 17 . 1 1 10 10 GLU H H 10 7.318 7.318 7.788 -0.470 18171
5655 1 17 . 1 1 11 11 ASN N N 11 119.007 119.007 117.409 1.598 18171
5656 1 17 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.078 0.063 18171
5657 1 17 . 1 1 11 11 ASN C C 11 173.093 173.093 173.397 -0.304 18171
5658 1 17 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.311 0.398 18171
5659 1 17 . 1 1 11 11 ASN CB C 11 40.100 40.100 41.392 -1.292 18171
5660 1 17 . 1 1 11 11 ASN H H 11 7.707 7.707 7.597 0.110 18171
5661 1 17 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.363 -0.080 18171
5662 1 17 . 1 1 12 12 PRO C C 12 177.932 177.932 177.695 0.237 18171
5663 1 17 . 1 1 12 12 PRO CA C 12 65.228 65.228 64.376 0.852 18171
5664 1 17 . 1 1 12 12 PRO CB C 12 32.008 32.008 32.166 -0.158 18171
5665 1 17 . 1 1 13 13 ASP N N 13 116.410 116.410 120.190 -3.780 18171
5666 1 17 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.414 0.011 18171
5667 1 17 . 1 1 13 13 ASP C C 13 178.456 178.456 178.262 0.194 18171
5668 1 17 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.745 -0.936 18171
5669 1 17 . 1 1 13 13 ASP CB C 13 39.939 39.939 41.023 -1.084 18171
5670 1 17 . 1 1 13 13 ASP H H 13 8.218 8.218 9.198 -0.980 18171
5671 1 17 . 1 1 14 14 VAL N N 14 120.053 120.053 119.873 0.180 18171
5672 1 17 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.760 0.022 18171
5673 1 17 . 1 1 14 14 VAL C C 14 177.045 177.045 177.254 -0.209 18171
5674 1 17 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.412 -1.062 18171
5675 1 17 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.536 0.225 18171
5676 1 17 . 1 1 14 14 VAL H H 14 7.722 7.722 7.440 0.282 18171
5677 1 17 . 1 1 15 15 ALA N N 15 121.814 121.814 122.442 -0.628 18171
5678 1 17 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.790 0.132 18171
5679 1 17 . 1 1 15 15 ALA C C 15 180.315 180.315 179.202 1.113 18171
5680 1 17 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.220 0.434 18171
5681 1 17 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.201 -0.024 18171
5682 1 17 . 1 1 15 15 ALA H H 15 8.245 8.245 7.466 0.779 18171
5683 1 17 . 1 1 16 16 MET N N 16 114.438 114.438 117.807 -3.369 18171
5684 1 17 . 1 1 16 16 MET HA H 16 4.234 4.234 4.581 -0.347 18171
5685 1 17 . 1 1 16 16 MET C C 16 178.930 178.930 178.838 0.092 18171
5686 1 17 . 1 1 16 16 MET CA C 16 58.011 58.011 57.301 0.710 18171
5687 1 17 . 1 1 16 16 MET CB C 16 32.027 32.027 32.310 -0.283 18171
5688 1 17 . 1 1 16 16 MET H H 16 7.878 7.878 7.731 0.147 18171
5689 1 17 . 1 1 17 17 ALA N N 17 123.280 123.280 123.613 -0.333 18171
5690 1 17 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.157 0.021 18171
5691 1 17 . 1 1 17 17 ALA C C 17 179.091 179.091 179.737 -0.646 18171
5692 1 17 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.951 -0.388 18171
5693 1 17 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.044 0.347 18171
5694 1 17 . 1 1 17 17 ALA H H 17 7.647 7.647 8.005 -0.358 18171
5695 1 17 . 1 1 18 18 PHE N N 18 114.808 114.808 116.329 -1.521 18171
5696 1 17 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.218 -0.100 18171
5697 1 17 . 1 1 18 18 PHE C C 18 175.169 175.169 176.622 -1.453 18171
5698 1 17 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.117 -0.683 18171
5699 1 17 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.629 0.414 18171
5700 1 17 . 1 1 18 18 PHE H H 18 8.032 8.032 8.589 -0.557 18171
5701 1 17 . 1 1 19 19 GLN N N 19 114.221 114.221 116.867 -2.646 18171
5702 1 17 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.289 -0.222 18171
5703 1 17 . 1 1 19 19 GLN C C 19 175.843 175.843 175.691 0.152 18171
5704 1 17 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.804 0.343 18171
5705 1 17 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.669 -0.049 18171
5706 1 17 . 1 1 19 19 GLN H H 19 7.414 7.414 7.556 -0.142 18171
5707 1 17 . 1 1 20 20 ASN N N 20 119.994 119.994 119.315 0.679 18171
5708 1 17 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.161 -0.278 18171
5709 1 17 . 1 1 20 20 ASN C C 20 174.726 174.726 173.976 0.750 18171
5710 1 17 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.540 0.061 18171
5711 1 17 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.498 -1.241 18171
5712 1 17 . 1 1 20 20 ASN H H 20 7.497 7.497 7.813 -0.316 18171
5713 1 17 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.483 -0.294 18171
5714 1 17 . 1 1 21 21 PRO C C 21 178.747 178.747 178.591 0.156 18171
5715 1 17 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.586 -0.540 18171
5716 1 17 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.274 -0.153 18171
5717 1 17 . 1 1 22 22 ARG N N 22 117.899 117.899 118.878 -0.979 18171
5718 1 17 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.052 0.041 18171
5719 1 17 . 1 1 22 22 ARG C C 22 178.827 178.827 178.592 0.235 18171
5720 1 17 . 1 1 22 22 ARG CA C 22 58.986 58.986 59.203 -0.217 18171
5721 1 17 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.617 0.814 18171
5722 1 17 . 1 1 22 22 ARG H H 22 8.066 8.066 8.585 -0.519 18171
5723 1 17 . 1 1 23 23 VAL N N 23 119.694 119.694 119.345 0.349 18171
5724 1 17 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.504 -0.120 18171
5725 1 17 . 1 1 23 23 VAL C C 23 177.319 177.319 177.317 0.002 18171
5726 1 17 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.118 -0.370 18171
5727 1 17 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.335 0.186 18171
5728 1 17 . 1 1 23 23 VAL H H 23 7.199 7.199 7.425 -0.226 18171
5729 1 17 . 1 1 24 24 GLN N N 24 117.842 117.842 119.567 -1.725 18171
5730 1 17 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.668 -0.035 18171
5731 1 17 . 1 1 24 24 GLN C C 24 177.902 177.902 178.138 -0.236 18171
5732 1 17 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.149 0.520 18171
5733 1 17 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.557 -0.537 18171
5734 1 17 . 1 1 24 24 GLN H H 24 7.790 7.790 7.929 -0.139 18171
5735 1 17 . 1 1 25 25 ALA N N 25 119.267 119.267 120.343 -1.076 18171
5736 1 17 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.162 -0.116 18171
5737 1 17 . 1 1 25 25 ALA C C 25 179.854 179.854 179.038 0.816 18171
5738 1 17 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.517 0.529 18171
5739 1 17 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.058 -0.234 18171
5740 1 17 . 1 1 25 25 ALA H H 25 7.808 7.808 8.396 -0.588 18171
5741 1 17 . 1 1 26 26 ALA N N 26 120.738 120.738 122.503 -1.765 18171
5742 1 17 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.848 0.073 18171
5743 1 17 . 1 1 26 26 ALA C C 26 179.988 179.988 179.859 0.129 18171
5744 1 17 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.611 0.588 18171
5745 1 17 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.165 0.006 18171
5746 1 17 . 1 1 26 26 ALA H H 26 7.500 7.500 7.271 0.229 18171
5747 1 17 . 1 1 27 27 LEU N N 27 118.511 118.511 119.470 -0.959 18171
5748 1 17 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.158 -0.245 18171
5749 1 17 . 1 1 27 27 LEU C C 27 179.923 179.923 178.844 1.079 18171
5750 1 17 . 1 1 27 27 LEU CA C 27 58.059 58.059 58.144 -0.085 18171
5751 1 17 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.671 -0.743 18171
5752 1 17 . 1 1 27 27 LEU H H 27 8.324 8.324 8.328 -0.004 18171
5753 1 17 . 1 1 28 28 MET N N 28 118.681 118.681 117.963 0.718 18171
5754 1 17 . 1 1 28 28 MET HA H 28 4.144 4.144 4.025 0.119 18171
5755 1 17 . 1 1 28 28 MET C C 28 179.635 179.635 178.624 1.011 18171
5756 1 17 . 1 1 28 28 MET CA C 28 58.734 58.734 59.013 -0.279 18171
5757 1 17 . 1 1 28 28 MET CB C 28 31.901 31.901 32.455 -0.554 18171
5758 1 17 . 1 1 28 28 MET H H 28 8.127 8.127 8.091 0.036 18171
5759 1 17 . 1 1 29 29 GLU N N 29 119.813 119.813 119.031 0.782 18171
5760 1 17 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.177 0.049 18171
5761 1 17 . 1 1 29 29 GLU C C 29 180.544 180.544 178.947 1.597 18171
5762 1 17 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.726 0.970 18171
5763 1 17 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.578 0.100 18171
5764 1 17 . 1 1 29 29 GLU H H 29 8.302 8.302 8.206 0.096 18171
5765 1 17 . 1 1 30 30 CYS N N 30 118.465 118.465 118.685 -0.220 18171
5766 1 17 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.123 0.330 18171
5767 1 17 . 1 1 30 30 CYS C C 30 175.357 175.357 175.743 -0.386 18171
5768 1 17 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.365 0.117 18171
5769 1 17 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.968 -1.178 18171
5770 1 17 . 1 1 30 30 CYS H H 30 8.465 8.465 7.933 0.532 18171
5771 1 17 . 1 1 31 31 SER N N 31 114.366 114.366 113.898 0.468 18171
5772 1 17 . 1 1 31 31 SER HA H 31 4.174 4.174 4.153 0.021 18171
5773 1 17 . 1 1 31 31 SER C C 31 175.371 175.371 176.013 -0.642 18171
5774 1 17 . 1 1 31 31 SER CA C 31 60.932 60.932 60.889 0.043 18171
5775 1 17 . 1 1 31 31 SER CB C 31 62.749 62.749 62.951 -0.202 18171
5776 1 17 . 1 1 31 31 SER H H 31 7.859 7.859 7.718 0.141 18171
5777 1 17 . 1 1 32 32 GLU N N 32 119.996 119.996 120.637 -0.641 18171
5778 1 17 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.197 0.007 18171
5779 1 17 . 1 1 32 32 GLU C C 32 176.983 176.983 176.967 0.016 18171
5780 1 17 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.299 -0.327 18171
5781 1 17 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.428 -0.351 18171
5782 1 17 . 1 1 32 32 GLU H H 32 7.254 7.254 8.000 -0.746 18171
5783 1 17 . 1 1 33 33 ASN N N 33 113.026 113.026 112.127 0.899 18171
5784 1 17 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.901 0.072 18171
5785 1 17 . 1 1 33 33 ASN C C 33 173.504 173.504 173.109 0.395 18171
5786 1 17 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.645 -1.909 18171
5787 1 17 . 1 1 33 33 ASN CB C 33 39.485 39.485 39.387 0.098 18171
5788 1 17 . 1 1 33 33 ASN H H 33 7.370 7.370 7.533 -0.163 18171
5789 1 17 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.141 0.433 18171
5790 1 17 . 1 1 34 34 PRO C C 34 178.270 178.270 177.326 0.944 18171
5791 1 17 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.708 0.119 18171
5792 1 17 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.945 -0.191 18171
5793 1 17 . 1 1 35 35 MET N N 35 115.258 115.258 115.191 0.067 18171
5794 1 17 . 1 1 35 35 MET HA H 35 4.330 4.330 4.228 0.102 18171
5795 1 17 . 1 1 35 35 MET C C 35 178.569 178.569 177.071 1.498 18171
5796 1 17 . 1 1 35 35 MET CA C 35 57.050 57.050 56.392 0.658 18171
5797 1 17 . 1 1 35 35 MET CB C 35 31.300 31.300 30.898 0.402 18171
5798 1 17 . 1 1 35 35 MET H H 35 7.962 7.962 8.064 -0.102 18171
5799 1 17 . 1 1 36 36 ASN N N 36 117.357 117.357 118.962 -1.605 18171
5800 1 17 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.643 -0.070 18171
5801 1 17 . 1 1 36 36 ASN C C 36 176.470 176.470 177.426 -0.956 18171
5802 1 17 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.688 -0.562 18171
5803 1 17 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.664 0.778 18171
5804 1 17 . 1 1 36 36 ASN H H 36 8.462 8.462 8.126 0.336 18171
5805 1 17 . 1 1 37 37 ILE N N 37 121.622 121.622 121.437 0.185 18171
5806 1 17 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.801 0.309 18171
5807 1 17 . 1 1 37 37 ILE C C 37 177.331 177.331 177.033 0.298 18171
5808 1 17 . 1 1 37 37 ILE CA C 37 62.588 62.588 63.172 -0.584 18171
5809 1 17 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.834 0.181 18171
5810 1 17 . 1 1 37 37 ILE H H 37 7.820 7.820 7.385 0.435 18171
5811 1 17 . 1 1 38 38 MET N N 38 118.071 118.071 116.545 1.526 18171
5812 1 17 . 1 1 38 38 MET HA H 38 4.174 4.174 4.081 0.093 18171
5813 1 17 . 1 1 38 38 MET C C 38 178.456 178.456 177.268 1.188 18171
5814 1 17 . 1 1 38 38 MET CA C 38 57.563 57.563 58.239 -0.676 18171
5815 1 17 . 1 1 38 38 MET CB C 38 31.533 31.533 32.273 -0.740 18171
5816 1 17 . 1 1 38 38 MET H H 38 7.479 7.479 7.554 -0.075 18171
5817 1 17 . 1 1 39 39 LYS N N 39 117.427 117.427 118.056 -0.629 18171
5818 1 17 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.116 -0.169 18171
5819 1 17 . 1 1 39 39 LYS C C 39 177.456 177.456 178.491 -1.035 18171
5820 1 17 . 1 1 39 39 LYS CA C 39 58.012 58.012 58.234 -0.222 18171
5821 1 17 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.367 -1.594 18171
5822 1 17 . 1 1 39 39 LYS H H 39 7.580 7.580 7.833 -0.253 18171
5823 1 17 . 1 1 40 40 TYR N N 40 116.049 116.049 119.200 -3.151 18171
5824 1 17 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.346 0.184 18171
5825 1 17 . 1 1 40 40 TYR C C 40 175.635 175.635 178.030 -2.395 18171
5826 1 17 . 1 1 40 40 TYR CA C 40 58.398 58.398 59.042 -0.644 18171
5827 1 17 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.870 2.620 18171
5828 1 17 . 1 1 40 40 TYR H H 40 7.651 7.651 7.789 -0.138 18171
5829 1 17 . 1 1 41 41 GLN N N 41 116.626 116.626 119.658 -3.032 18171
5830 1 17 . 1 1 41 41 GLN HA H 41 4.333 4.333 4.011 0.322 18171
5831 1 17 . 1 1 41 41 GLN C C 41 175.887 175.887 176.757 -0.870 18171
5832 1 17 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.440 0.146 18171
5833 1 17 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.445 1.602 18171
5834 1 17 . 1 1 41 41 GLN H H 41 7.001 7.001 7.873 -0.872 18171
5835 1 17 . 1 1 42 42 ASN N N 42 114.491 114.491 116.000 -1.509 18171
5836 1 17 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.742 0.120 18171
5837 1 17 . 1 1 42 42 ASN C C 42 173.784 173.784 175.124 -1.340 18171
5838 1 17 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.752 -1.220 18171
5839 1 17 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.035 -0.447 18171
5840 1 17 . 1 1 42 42 ASN H H 42 8.281 8.281 7.628 0.653 18171
5841 1 17 . 1 1 43 43 ASP N N 43 122.981 122.981 121.777 1.204 18171
5842 1 17 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.744 0.011 18171
5843 1 17 . 1 1 43 43 ASP C C 43 174.773 174.773 176.156 -1.383 18171
5844 1 17 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.022 -0.415 18171
5845 1 17 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.630 0.738 18171
5846 1 17 . 1 1 43 43 ASP H H 43 7.960 7.960 8.028 -0.068 18171
5847 1 17 . 1 1 44 44 LYS N N 44 125.893 125.893 126.829 -0.936 18171
5848 1 17 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.878 -0.018 18171
5849 1 17 . 1 1 44 44 LYS C C 44 177.796 177.796 178.232 -0.436 18171
5850 1 17 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.669 0.127 18171
5851 1 17 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.575 -0.039 18171
5852 1 17 . 1 1 44 44 LYS H H 44 8.361 8.361 7.958 0.403 18171
5853 1 17 . 1 1 45 45 GLU N N 45 116.698 116.698 118.276 -1.578 18171
5854 1 17 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.119 -0.052 18171
5855 1 17 . 1 1 45 45 GLU C C 45 178.724 178.724 178.788 -0.064 18171
5856 1 17 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.387 0.068 18171
5857 1 17 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.381 0.376 18171
5858 1 17 . 1 1 45 45 GLU H H 45 8.127 8.127 8.017 0.110 18171
5859 1 17 . 1 1 46 46 VAL N N 46 117.476 117.476 119.783 -2.307 18171
5860 1 17 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.727 -0.313 18171
5861 1 17 . 1 1 46 46 VAL C C 46 177.879 177.879 178.252 -0.373 18171
5862 1 17 . 1 1 46 46 VAL CA C 46 66.430 66.430 65.964 0.466 18171
5863 1 17 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.244 0.784 18171
5864 1 17 . 1 1 46 46 VAL H H 46 7.452 7.452 7.638 -0.186 18171
5865 1 17 . 1 1 47 47 MET N N 47 117.027 117.027 119.894 -2.867 18171
5866 1 17 . 1 1 47 47 MET HA H 47 4.479 4.479 4.200 0.279 18171
5867 1 17 . 1 1 47 47 MET C C 47 179.307 179.307 178.867 0.440 18171
5868 1 17 . 1 1 47 47 MET CA C 47 56.809 56.809 58.502 -1.694 18171
5869 1 17 . 1 1 47 47 MET CB C 47 30.371 30.371 31.172 -0.801 18171
5870 1 17 . 1 1 47 47 MET H H 47 8.542 8.542 8.186 0.356 18171
5871 1 17 . 1 1 48 48 ASP N N 48 119.811 119.811 120.085 -0.274 18171
5872 1 17 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.431 0.061 18171
5873 1 17 . 1 1 48 48 ASP C C 48 179.136 179.136 179.149 -0.013 18171
5874 1 17 . 1 1 48 48 ASP CA C 48 57.571 57.571 58.157 -0.586 18171
5875 1 17 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.669 -0.216 18171
5876 1 17 . 1 1 48 48 ASP H H 48 8.580 8.580 8.071 0.509 18171
5877 1 17 . 1 1 49 49 VAL N N 49 118.816 118.816 120.338 -1.522 18171
5878 1 17 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.744 -0.106 18171
5879 1 17 . 1 1 49 49 VAL C C 49 177.777 177.777 177.645 0.132 18171
5880 1 17 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.279 0.178 18171
5881 1 17 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.803 -0.737 18171
5882 1 17 . 1 1 49 49 VAL H H 49 7.319 7.319 7.592 -0.273 18171
5883 1 17 . 1 1 50 50 PHE N N 50 120.305 120.305 119.166 1.139 18171
5884 1 17 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.202 -0.066 18171
5885 1 17 . 1 1 50 50 PHE C C 50 178.505 178.505 178.038 0.467 18171
5886 1 17 . 1 1 50 50 PHE CA C 50 61.540 61.540 61.991 -0.451 18171
5887 1 17 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.777 -0.468 18171
5888 1 17 . 1 1 50 50 PHE H H 50 8.529 8.529 8.966 -0.437 18171
5889 1 17 . 1 1 51 51 ASN N N 51 117.888 117.888 117.702 0.186 18171
5890 1 17 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.495 -0.080 18171
5891 1 17 . 1 1 51 51 ASN C C 51 177.863 177.863 176.955 0.908 18171
5892 1 17 . 1 1 51 51 ASN CA C 51 56.168 56.168 56.072 0.096 18171
5893 1 17 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.697 -0.388 18171
5894 1 17 . 1 1 51 51 ASN H H 51 8.886 8.886 8.659 0.227 18171
5895 1 17 . 1 1 52 52 LYS N N 52 120.120 120.120 121.063 -0.943 18171
5896 1 17 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.204 -0.094 18171
5897 1 17 . 1 1 52 52 LYS C C 52 179.002 179.002 178.778 0.224 18171
5898 1 17 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.145 -0.171 18171
5899 1 17 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.457 -0.402 18171
5900 1 17 . 1 1 52 52 LYS H H 52 7.760 7.760 7.184 0.576 18171
5901 1 17 . 1 1 53 53 ILE N N 53 117.988 117.988 118.819 -0.831 18171
5902 1 17 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.529 0.228 18171
5903 1 17 . 1 1 53 53 ILE C C 53 177.686 177.686 176.794 0.892 18171
5904 1 17 . 1 1 53 53 ILE CA C 53 65.041 65.041 63.746 1.295 18171
5905 1 17 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.481 0.186 18171
5906 1 17 . 1 1 53 53 ILE H H 53 8.400 8.400 8.410 -0.010 18171
5907 1 17 . 1 1 54 54 SER N N 54 114.267 114.267 111.583 2.684 18171
5908 1 17 . 1 1 54 54 SER HA H 54 4.050 4.050 4.363 -0.313 18171
5909 1 17 . 1 1 54 54 SER C C 54 175.690 175.690 175.925 -0.235 18171
5910 1 17 . 1 1 54 54 SER CA C 54 61.417 61.417 60.425 0.992 18171
5911 1 17 . 1 1 54 54 SER CB C 54 62.922 62.922 64.112 -1.190 18171
5912 1 17 . 1 1 54 54 SER H H 54 8.042 8.042 7.732 0.310 18171
5913 1 17 . 1 1 55 55 GLN N N 55 118.045 118.045 119.518 -1.473 18171
5914 1 17 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.287 -0.147 18171
5915 1 17 . 1 1 55 55 GLN C C 55 177.193 177.193 178.224 -1.031 18171
5916 1 17 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.708 -0.626 18171
5917 1 17 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.378 -0.658 18171
5918 1 17 . 1 1 55 55 GLN H H 55 7.415 7.415 7.635 -0.220 18171
5919 1 17 . 1 1 56 56 LEU N N 56 118.492 118.492 119.466 -0.974 18171
5920 1 17 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.210 -0.177 18171
5921 1 17 . 1 1 56 56 LEU C C 56 176.578 176.578 176.142 0.436 18171
5922 1 17 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.168 -0.263 18171
5923 1 17 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.553 -0.005 18171
5924 1 17 . 1 1 56 56 LEU H H 56 7.732 7.732 8.179 -0.447 18171
5925 1 17 . 1 1 57 57 PHE N N 57 116.774 116.774 116.427 0.347 18171
5926 1 17 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.846 0.046 18171
5927 1 17 . 1 1 57 57 PHE C C 57 173.125 173.125 174.733 -1.608 18171
5928 1 17 . 1 1 57 57 PHE CA C 57 55.211 55.211 54.502 0.709 18171
5929 1 17 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.204 0.819 18171
5930 1 17 . 1 1 57 57 PHE H H 57 7.629 7.629 7.873 -0.244 18171
5931 1 17 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.404 0.076 18171
5932 1 17 . 1 1 58 58 PRO C C 58 178.090 178.090 178.644 -0.554 18171
5933 1 17 . 1 1 58 58 PRO CA C 58 63.972 63.972 64.296 -0.324 18171
5934 1 17 . 1 1 58 58 PRO CB C 58 30.927 30.927 32.096 -1.169 18171
5935 1 17 . 1 1 59 59 GLY N N 59 108.335 108.335 106.880 1.455 18171
5936 1 17 . 1 1 59 59 GLY C C 59 174.930 174.930 174.427 0.503 18171
5937 1 17 . 1 1 59 59 GLY CA C 59 45.384 45.384 44.573 0.811 18171
5938 1 17 . 1 1 59 59 GLY H H 59 8.411 8.411 8.339 0.072 18171
5939 1 17 . 1 1 60 60 MET N N 60 119.206 119.206 118.768 0.438 18171
5940 1 17 . 1 1 60 60 MET HA H 60 4.467 4.467 4.351 0.116 18171
5941 1 17 . 1 1 60 60 MET C C 60 176.320 176.320 176.174 0.146 18171
5942 1 17 . 1 1 60 60 MET CA C 60 56.395 56.395 55.423 0.972 18171
5943 1 17 . 1 1 60 60 MET CB C 60 32.964 32.964 32.843 0.121 18171
5944 1 17 . 1 1 60 60 MET H H 60 8.053 8.053 7.591 0.462 18171
5945 1 17 . 1 1 61 61 THR N N 61 111.041 111.041 116.842 -5.801 18171
5946 1 17 . 1 1 61 61 THR HA H 61 4.402 4.402 4.266 0.136 18171
5947 1 17 . 1 1 61 61 THR C C 61 173.976 173.976 175.023 -1.047 18171
5948 1 17 . 1 1 61 61 THR CA C 61 61.233 61.233 62.991 -1.758 18171
5949 1 17 . 1 1 61 61 THR CB C 61 70.120 70.120 68.961 1.159 18171
5950 1 17 . 1 1 61 61 THR H H 61 7.880 7.880 8.342 -0.462 18171
5951 1 18 . 1 1 2 2 GLU N N 2 115.081 115.081 121.426 -6.345 18171
5952 1 18 . 1 1 2 2 GLU HA H 2 3.860 3.860 3.943 -0.083 18171
5953 1 18 . 1 1 2 2 GLU C C 2 179.259 179.259 178.424 0.835 18171
5954 1 18 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.651 0.709 18171
5955 1 18 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.692 -0.966 18171
5956 1 18 . 1 1 2 2 GLU H H 2 8.756 8.756 8.746 0.010 18171
5957 1 18 . 1 1 3 3 GLU N N 3 120.051 120.051 119.827 0.224 18171
5958 1 18 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.121 -0.105 18171
5959 1 18 . 1 1 3 3 GLU C C 3 178.863 178.863 178.709 0.154 18171
5960 1 18 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.458 -0.452 18171
5961 1 18 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.455 0.910 18171
5962 1 18 . 1 1 3 3 GLU H H 3 7.722 7.722 8.319 -0.597 18171
5963 1 18 . 1 1 4 4 VAL N N 4 120.223 120.223 119.586 0.637 18171
5964 1 18 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.726 -0.217 18171
5965 1 18 . 1 1 4 4 VAL C C 4 177.687 177.687 177.946 -0.259 18171
5966 1 18 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.188 1.479 18171
5967 1 18 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.754 -0.213 18171
5968 1 18 . 1 1 4 4 VAL H H 4 7.815 7.815 7.867 -0.052 18171
5969 1 18 . 1 1 5 5 ILE N N 5 118.475 118.475 118.790 -0.315 18171
5970 1 18 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.530 -0.030 18171
5971 1 18 . 1 1 5 5 ILE C C 5 177.638 177.638 177.695 -0.057 18171
5972 1 18 . 1 1 5 5 ILE CA C 5 64.361 64.361 65.052 -0.691 18171
5973 1 18 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.200 -0.063 18171
5974 1 18 . 1 1 5 5 ILE H H 5 8.293 8.293 8.386 -0.093 18171
5975 1 18 . 1 1 6 6 SER N N 6 113.327 113.327 114.548 -1.221 18171
5976 1 18 . 1 1 6 6 SER HA H 6 4.034 4.034 4.223 -0.189 18171
5977 1 18 . 1 1 6 6 SER C C 6 176.398 176.398 176.347 0.051 18171
5978 1 18 . 1 1 6 6 SER CA C 6 61.781 61.781 61.191 0.590 18171
5979 1 18 . 1 1 6 6 SER CB C 6 62.770 62.770 62.936 -0.166 18171
5980 1 18 . 1 1 6 6 SER H H 6 7.740 7.740 7.745 -0.005 18171
5981 1 18 . 1 1 7 7 LYS N N 7 119.755 119.755 122.074 -2.319 18171
5982 1 18 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.114 0.029 18171
5983 1 18 . 1 1 7 7 LYS C C 7 179.622 179.622 178.816 0.806 18171
5984 1 18 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.467 -0.461 18171
5985 1 18 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.789 -0.047 18171
5986 1 18 . 1 1 7 7 LYS H H 7 7.523 7.523 7.918 -0.395 18171
5987 1 18 . 1 1 8 8 ILE N N 8 119.544 119.544 120.021 -0.477 18171
5988 1 18 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.657 -0.014 18171
5989 1 18 . 1 1 8 8 ILE C C 8 177.510 177.510 177.414 0.096 18171
5990 1 18 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.423 1.757 18171
5991 1 18 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.255 1.206 18171
5992 1 18 . 1 1 8 8 ILE H H 8 8.132 8.132 7.769 0.363 18171
5993 1 18 . 1 1 9 9 MET N N 9 114.616 114.616 117.738 -3.122 18171
5994 1 18 . 1 1 9 9 MET HA H 9 4.104 4.104 4.119 -0.015 18171
5995 1 18 . 1 1 9 9 MET C C 9 177.018 177.018 176.981 0.037 18171
5996 1 18 . 1 1 9 9 MET CA C 9 56.601 56.601 57.298 -0.697 18171
5997 1 18 . 1 1 9 9 MET CB C 9 31.479 31.479 31.371 0.108 18171
5998 1 18 . 1 1 9 9 MET H H 9 7.835 7.835 7.589 0.246 18171
5999 1 18 . 1 1 10 10 GLU N N 10 116.206 116.206 120.009 -3.803 18171
6000 1 18 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.087 0.065 18171
6001 1 18 . 1 1 10 10 GLU C C 10 176.263 176.263 177.360 -1.097 18171
6002 1 18 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.810 -0.727 18171
6003 1 18 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.679 0.331 18171
6004 1 18 . 1 1 10 10 GLU H H 10 7.318 7.318 7.932 -0.614 18171
6005 1 18 . 1 1 11 11 ASN N N 11 119.007 119.007 116.472 2.535 18171
6006 1 18 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.088 0.053 18171
6007 1 18 . 1 1 11 11 ASN C C 11 173.093 173.093 173.216 -0.123 18171
6008 1 18 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.887 -0.178 18171
6009 1 18 . 1 1 11 11 ASN CB C 11 40.100 40.100 40.272 -0.172 18171
6010 1 18 . 1 1 11 11 ASN H H 11 7.707 7.707 8.035 -0.328 18171
6011 1 18 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.096 0.187 18171
6012 1 18 . 1 1 12 12 PRO C C 12 177.932 177.932 177.661 0.271 18171
6013 1 18 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.114 0.114 18171
6014 1 18 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.862 0.146 18171
6015 1 18 . 1 1 13 13 ASP N N 13 116.410 116.410 116.939 -0.529 18171
6016 1 18 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.426 -0.001 18171
6017 1 18 . 1 1 13 13 ASP C C 13 178.456 178.456 178.129 0.327 18171
6018 1 18 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.174 -0.365 18171
6019 1 18 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.737 -0.798 18171
6020 1 18 . 1 1 13 13 ASP H H 13 8.218 8.218 8.249 -0.031 18171
6021 1 18 . 1 1 14 14 VAL N N 14 120.053 120.053 119.884 0.169 18171
6022 1 18 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.797 -0.015 18171
6023 1 18 . 1 1 14 14 VAL C C 14 177.045 177.045 177.878 -0.833 18171
6024 1 18 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.768 -1.418 18171
6025 1 18 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.155 0.606 18171
6026 1 18 . 1 1 14 14 VAL H H 14 7.722 7.722 8.159 -0.437 18171
6027 1 18 . 1 1 15 15 ALA N N 15 121.814 121.814 122.387 -0.573 18171
6028 1 18 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.791 0.131 18171
6029 1 18 . 1 1 15 15 ALA C C 15 180.315 180.315 179.233 1.082 18171
6030 1 18 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.039 0.615 18171
6031 1 18 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.172 0.005 18171
6032 1 18 . 1 1 15 15 ALA H H 15 8.245 8.245 7.462 0.783 18171
6033 1 18 . 1 1 16 16 MET N N 16 114.438 114.438 117.974 -3.536 18171
6034 1 18 . 1 1 16 16 MET HA H 16 4.234 4.234 4.469 -0.235 18171
6035 1 18 . 1 1 16 16 MET C C 16 178.930 178.930 178.829 0.101 18171
6036 1 18 . 1 1 16 16 MET CA C 16 58.011 58.011 58.478 -0.467 18171
6037 1 18 . 1 1 16 16 MET CB C 16 32.027 32.027 33.075 -1.048 18171
6038 1 18 . 1 1 16 16 MET H H 16 7.878 7.878 7.813 0.065 18171
6039 1 18 . 1 1 17 17 ALA N N 17 123.280 123.280 123.431 -0.151 18171
6040 1 18 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.139 0.039 18171
6041 1 18 . 1 1 17 17 ALA C C 17 179.091 179.091 179.373 -0.282 18171
6042 1 18 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.812 -0.249 18171
6043 1 18 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.081 0.310 18171
6044 1 18 . 1 1 17 17 ALA H H 17 7.647 7.647 8.413 -0.766 18171
6045 1 18 . 1 1 18 18 PHE N N 18 114.808 114.808 116.300 -1.492 18171
6046 1 18 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.249 -0.131 18171
6047 1 18 . 1 1 18 18 PHE C C 18 175.169 175.169 176.347 -1.178 18171
6048 1 18 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.429 -0.995 18171
6049 1 18 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.697 0.346 18171
6050 1 18 . 1 1 18 18 PHE H H 18 8.032 8.032 8.545 -0.513 18171
6051 1 18 . 1 1 19 19 GLN N N 19 114.221 114.221 116.857 -2.636 18171
6052 1 18 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.338 -0.271 18171
6053 1 18 . 1 1 19 19 GLN C C 19 175.843 175.843 175.416 0.427 18171
6054 1 18 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.452 0.695 18171
6055 1 18 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.850 -0.230 18171
6056 1 18 . 1 1 19 19 GLN H H 19 7.414 7.414 7.533 -0.119 18171
6057 1 18 . 1 1 20 20 ASN N N 20 119.994 119.994 119.552 0.442 18171
6058 1 18 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.213 -0.330 18171
6059 1 18 . 1 1 20 20 ASN C C 20 174.726 174.726 174.002 0.724 18171
6060 1 18 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.013 0.588 18171
6061 1 18 . 1 1 20 20 ASN CB C 20 39.257 39.257 39.270 -0.013 18171
6062 1 18 . 1 1 20 20 ASN H H 20 7.497 7.497 7.835 -0.338 18171
6063 1 18 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.323 -0.134 18171
6064 1 18 . 1 1 21 21 PRO C C 21 178.747 178.747 178.776 -0.029 18171
6065 1 18 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.602 -0.556 18171
6066 1 18 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.331 -0.210 18171
6067 1 18 . 1 1 22 22 ARG N N 22 117.899 117.899 118.026 -0.127 18171
6068 1 18 . 1 1 22 22 ARG HA H 22 4.093 4.093 3.999 0.094 18171
6069 1 18 . 1 1 22 22 ARG C C 22 178.827 178.827 178.866 -0.039 18171
6070 1 18 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.947 0.039 18171
6071 1 18 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.041 1.390 18171
6072 1 18 . 1 1 22 22 ARG H H 22 8.066 8.066 8.256 -0.190 18171
6073 1 18 . 1 1 23 23 VAL N N 23 119.694 119.694 120.188 -0.494 18171
6074 1 18 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.545 -0.161 18171
6075 1 18 . 1 1 23 23 VAL C C 23 177.319 177.319 177.278 0.041 18171
6076 1 18 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.370 -0.622 18171
6077 1 18 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.478 0.043 18171
6078 1 18 . 1 1 23 23 VAL H H 23 7.199 7.199 7.818 -0.619 18171
6079 1 18 . 1 1 24 24 GLN N N 24 117.842 117.842 119.645 -1.803 18171
6080 1 18 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.717 -0.084 18171
6081 1 18 . 1 1 24 24 GLN C C 24 177.902 177.902 178.096 -0.194 18171
6082 1 18 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.267 0.402 18171
6083 1 18 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.558 -0.538 18171
6084 1 18 . 1 1 24 24 GLN H H 24 7.790 7.790 8.375 -0.585 18171
6085 1 18 . 1 1 25 25 ALA N N 25 119.267 119.267 120.482 -1.215 18171
6086 1 18 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.006 0.040 18171
6087 1 18 . 1 1 25 25 ALA C C 25 179.854 179.854 178.721 1.133 18171
6088 1 18 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.634 0.412 18171
6089 1 18 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.233 -0.409 18171
6090 1 18 . 1 1 25 25 ALA H H 25 7.808 7.808 8.317 -0.509 18171
6091 1 18 . 1 1 26 26 ALA N N 26 120.738 120.738 122.236 -1.498 18171
6092 1 18 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.781 0.140 18171
6093 1 18 . 1 1 26 26 ALA C C 26 179.988 179.988 179.835 0.153 18171
6094 1 18 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.579 0.620 18171
6095 1 18 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.221 -0.050 18171
6096 1 18 . 1 1 26 26 ALA H H 26 7.500 7.500 7.629 -0.129 18171
6097 1 18 . 1 1 27 27 LEU N N 27 118.511 118.511 119.905 -1.394 18171
6098 1 18 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.151 -0.238 18171
6099 1 18 . 1 1 27 27 LEU C C 27 179.923 179.923 178.863 1.060 18171
6100 1 18 . 1 1 27 27 LEU CA C 27 58.059 58.059 58.156 -0.097 18171
6101 1 18 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.715 -0.787 18171
6102 1 18 . 1 1 27 27 LEU H H 27 8.324 8.324 8.398 -0.074 18171
6103 1 18 . 1 1 28 28 MET N N 28 118.681 118.681 118.403 0.278 18171
6104 1 18 . 1 1 28 28 MET HA H 28 4.144 4.144 4.032 0.112 18171
6105 1 18 . 1 1 28 28 MET C C 28 179.635 179.635 178.453 1.182 18171
6106 1 18 . 1 1 28 28 MET CA C 28 58.734 58.734 58.205 0.529 18171
6107 1 18 . 1 1 28 28 MET CB C 28 31.901 31.901 32.297 -0.396 18171
6108 1 18 . 1 1 28 28 MET H H 28 8.127 8.127 8.345 -0.218 18171
6109 1 18 . 1 1 29 29 GLU N N 29 119.813 119.813 118.639 1.174 18171
6110 1 18 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.400 -0.174 18171
6111 1 18 . 1 1 29 29 GLU C C 29 180.544 180.544 178.707 1.837 18171
6112 1 18 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.593 1.103 18171
6113 1 18 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.333 0.344 18171
6114 1 18 . 1 1 29 29 GLU H H 29 8.302 8.302 8.099 0.203 18171
6115 1 18 . 1 1 30 30 CYS N N 30 118.465 118.465 118.336 0.129 18171
6116 1 18 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.158 0.295 18171
6117 1 18 . 1 1 30 30 CYS C C 30 175.357 175.357 175.925 -0.568 18171
6118 1 18 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.233 0.249 18171
6119 1 18 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.698 -0.908 18171
6120 1 18 . 1 1 30 30 CYS H H 30 8.465 8.465 7.894 0.571 18171
6121 1 18 . 1 1 31 31 SER N N 31 114.366 114.366 113.939 0.427 18171
6122 1 18 . 1 1 31 31 SER HA H 31 4.174 4.174 4.182 -0.008 18171
6123 1 18 . 1 1 31 31 SER C C 31 175.371 175.371 176.173 -0.802 18171
6124 1 18 . 1 1 31 31 SER CA C 31 60.932 60.932 60.689 0.243 18171
6125 1 18 . 1 1 31 31 SER CB C 31 62.749 62.749 63.024 -0.275 18171
6126 1 18 . 1 1 31 31 SER H H 31 7.859 7.859 7.816 0.043 18171
6127 1 18 . 1 1 32 32 GLU N N 32 119.996 119.996 120.811 -0.815 18171
6128 1 18 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.220 -0.016 18171
6129 1 18 . 1 1 32 32 GLU C C 32 176.983 176.983 176.991 -0.008 18171
6130 1 18 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.234 -0.262 18171
6131 1 18 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.420 -0.343 18171
6132 1 18 . 1 1 32 32 GLU H H 32 7.254 7.254 7.907 -0.653 18171
6133 1 18 . 1 1 33 33 ASN N N 33 113.026 113.026 112.428 0.598 18171
6134 1 18 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.909 0.064 18171
6135 1 18 . 1 1 33 33 ASN C C 33 173.504 173.504 173.288 0.216 18171
6136 1 18 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.559 -1.823 18171
6137 1 18 . 1 1 33 33 ASN CB C 33 39.485 39.485 39.158 0.327 18171
6138 1 18 . 1 1 33 33 ASN H H 33 7.370 7.370 7.603 -0.233 18171
6139 1 18 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.389 0.185 18171
6140 1 18 . 1 1 34 34 PRO C C 34 178.270 178.270 177.319 0.951 18171
6141 1 18 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.939 -0.112 18171
6142 1 18 . 1 1 34 34 PRO CB C 34 31.754 31.754 32.041 -0.287 18171
6143 1 18 . 1 1 35 35 MET N N 35 115.258 115.258 115.637 -0.379 18171
6144 1 18 . 1 1 35 35 MET HA H 35 4.330 4.330 4.217 0.113 18171
6145 1 18 . 1 1 35 35 MET C C 35 178.569 178.569 177.398 1.171 18171
6146 1 18 . 1 1 35 35 MET CA C 35 57.050 57.050 56.723 0.327 18171
6147 1 18 . 1 1 35 35 MET CB C 35 31.300 31.300 31.303 -0.003 18171
6148 1 18 . 1 1 35 35 MET H H 35 7.962 7.962 7.956 0.006 18171
6149 1 18 . 1 1 36 36 ASN N N 36 117.357 117.357 119.978 -2.621 18171
6150 1 18 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.404 0.169 18171
6151 1 18 . 1 1 36 36 ASN C C 36 176.470 176.470 177.677 -1.207 18171
6152 1 18 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.782 -0.656 18171
6153 1 18 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.378 1.064 18171
6154 1 18 . 1 1 36 36 ASN H H 36 8.462 8.462 8.297 0.165 18171
6155 1 18 . 1 1 37 37 ILE N N 37 121.622 121.622 121.622 0.000 18171
6156 1 18 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.878 0.232 18171
6157 1 18 . 1 1 37 37 ILE C C 37 177.331 177.331 176.052 1.279 18171
6158 1 18 . 1 1 37 37 ILE CA C 37 62.588 62.588 62.274 0.314 18171
6159 1 18 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.940 0.075 18171
6160 1 18 . 1 1 37 37 ILE H H 37 7.820 7.820 7.317 0.503 18171
6161 1 18 . 1 1 38 38 MET N N 38 118.071 118.071 117.143 0.928 18171
6162 1 18 . 1 1 38 38 MET HA H 38 4.174 4.174 4.238 -0.064 18171
6163 1 18 . 1 1 38 38 MET C C 38 178.456 178.456 175.847 2.609 18171
6164 1 18 . 1 1 38 38 MET CA C 38 57.563 57.563 55.824 1.739 18171
6165 1 18 . 1 1 38 38 MET CB C 38 31.533 31.533 30.187 1.346 18171
6166 1 18 . 1 1 38 38 MET H H 38 7.479 7.479 7.655 -0.176 18171
6167 1 18 . 1 1 39 39 LYS N N 39 117.427 117.427 117.384 0.043 18171
6168 1 18 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.228 -0.281 18171
6169 1 18 . 1 1 39 39 LYS C C 39 177.456 177.456 177.747 -0.291 18171
6170 1 18 . 1 1 39 39 LYS CA C 39 58.012 58.012 56.774 1.238 18171
6171 1 18 . 1 1 39 39 LYS CB C 39 31.773 31.773 34.550 -2.777 18171
6172 1 18 . 1 1 39 39 LYS H H 39 7.580 7.580 7.759 -0.179 18171
6173 1 18 . 1 1 40 40 TYR N N 40 116.049 116.049 119.551 -3.502 18171
6174 1 18 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.467 0.063 18171
6175 1 18 . 1 1 40 40 TYR C C 40 175.635 175.635 177.950 -2.315 18171
6176 1 18 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.238 0.160 18171
6177 1 18 . 1 1 40 40 TYR CB C 40 39.490 39.490 37.256 2.234 18171
6178 1 18 . 1 1 40 40 TYR H H 40 7.651 7.651 7.314 0.337 18171
6179 1 18 . 1 1 41 41 GLN N N 41 116.626 116.626 119.264 -2.638 18171
6180 1 18 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.956 0.377 18171
6181 1 18 . 1 1 41 41 GLN C C 41 175.887 175.887 176.737 -0.850 18171
6182 1 18 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.876 -0.290 18171
6183 1 18 . 1 1 41 41 GLN CB C 41 29.047 29.047 28.168 0.880 18171
6184 1 18 . 1 1 41 41 GLN H H 41 7.001 7.001 7.765 -0.764 18171
6185 1 18 . 1 1 42 42 ASN N N 42 114.491 114.491 115.312 -0.821 18171
6186 1 18 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.645 0.217 18171
6187 1 18 . 1 1 42 42 ASN C C 42 173.784 173.784 175.144 -1.360 18171
6188 1 18 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.882 -1.350 18171
6189 1 18 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.538 -0.950 18171
6190 1 18 . 1 1 42 42 ASN H H 42 8.281 8.281 7.571 0.710 18171
6191 1 18 . 1 1 43 43 ASP N N 43 122.981 122.981 121.679 1.302 18171
6192 1 18 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.602 0.153 18171
6193 1 18 . 1 1 43 43 ASP C C 43 174.773 174.773 176.851 -2.078 18171
6194 1 18 . 1 1 43 43 ASP CA C 43 52.607 52.607 54.229 -1.622 18171
6195 1 18 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.874 0.495 18171
6196 1 18 . 1 1 43 43 ASP H H 43 7.960 7.960 7.997 -0.037 18171
6197 1 18 . 1 1 44 44 LYS N N 44 125.893 125.893 126.853 -0.960 18171
6198 1 18 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.959 -0.099 18171
6199 1 18 . 1 1 44 44 LYS C C 44 177.796 177.796 178.722 -0.926 18171
6200 1 18 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.669 0.127 18171
6201 1 18 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.417 0.119 18171
6202 1 18 . 1 1 44 44 LYS H H 44 8.361 8.361 8.268 0.093 18171
6203 1 18 . 1 1 45 45 GLU N N 45 116.698 116.698 118.854 -2.156 18171
6204 1 18 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.100 -0.033 18171
6205 1 18 . 1 1 45 45 GLU C C 45 178.724 178.724 178.661 0.063 18171
6206 1 18 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.350 0.105 18171
6207 1 18 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.764 -0.007 18171
6208 1 18 . 1 1 45 45 GLU H H 45 8.127 8.127 7.879 0.248 18171
6209 1 18 . 1 1 46 46 VAL N N 46 117.476 117.476 119.569 -2.093 18171
6210 1 18 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.823 -0.409 18171
6211 1 18 . 1 1 46 46 VAL C C 46 177.879 177.879 178.151 -0.272 18171
6212 1 18 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.077 0.353 18171
6213 1 18 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.437 0.591 18171
6214 1 18 . 1 1 46 46 VAL H H 46 7.452 7.452 7.701 -0.249 18171
6215 1 18 . 1 1 47 47 MET N N 47 117.027 117.027 119.249 -2.222 18171
6216 1 18 . 1 1 47 47 MET HA H 47 4.479 4.479 4.142 0.337 18171
6217 1 18 . 1 1 47 47 MET C C 47 179.307 179.307 177.900 1.407 18171
6218 1 18 . 1 1 47 47 MET CA C 47 56.809 56.809 59.739 -2.930 18171
6219 1 18 . 1 1 47 47 MET CB C 47 30.371 30.371 32.175 -1.804 18171
6220 1 18 . 1 1 47 47 MET H H 47 8.542 8.542 8.675 -0.133 18171
6221 1 18 . 1 1 48 48 ASP N N 48 119.811 119.811 120.841 -1.030 18171
6222 1 18 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.422 0.070 18171
6223 1 18 . 1 1 48 48 ASP C C 48 179.136 179.136 179.126 0.010 18171
6224 1 18 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.633 -0.062 18171
6225 1 18 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.559 -0.106 18171
6226 1 18 . 1 1 48 48 ASP H H 48 8.580 8.580 8.041 0.539 18171
6227 1 18 . 1 1 49 49 VAL N N 49 118.816 118.816 120.238 -1.422 18171
6228 1 18 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.773 -0.135 18171
6229 1 18 . 1 1 49 49 VAL C C 49 177.777 177.777 177.843 -0.066 18171
6230 1 18 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.172 0.285 18171
6231 1 18 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.806 -0.740 18171
6232 1 18 . 1 1 49 49 VAL H H 49 7.319 7.319 7.523 -0.204 18171
6233 1 18 . 1 1 50 50 PHE N N 50 120.305 120.305 119.584 0.721 18171
6234 1 18 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.200 -0.064 18171
6235 1 18 . 1 1 50 50 PHE C C 50 178.505 178.505 178.094 0.411 18171
6236 1 18 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.488 -0.948 18171
6237 1 18 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.761 -0.452 18171
6238 1 18 . 1 1 50 50 PHE H H 50 8.529 8.529 9.240 -0.711 18171
6239 1 18 . 1 1 51 51 ASN N N 51 117.888 117.888 117.469 0.419 18171
6240 1 18 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.581 -0.166 18171
6241 1 18 . 1 1 51 51 ASN C C 51 177.863 177.863 177.084 0.779 18171
6242 1 18 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.687 0.481 18171
6243 1 18 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.421 -0.112 18171
6244 1 18 . 1 1 51 51 ASN H H 51 8.886 8.886 8.654 0.232 18171
6245 1 18 . 1 1 52 52 LYS N N 52 120.120 120.120 120.991 -0.871 18171
6246 1 18 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.032 0.078 18171
6247 1 18 . 1 1 52 52 LYS C C 52 179.002 179.002 178.432 0.570 18171
6248 1 18 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.210 -0.236 18171
6249 1 18 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.290 -0.235 18171
6250 1 18 . 1 1 52 52 LYS H H 52 7.760 7.760 7.220 0.540 18171
6251 1 18 . 1 1 53 53 ILE N N 53 117.988 117.988 120.158 -2.170 18171
6252 1 18 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.455 0.302 18171
6253 1 18 . 1 1 53 53 ILE C C 53 177.686 177.686 177.730 -0.044 18171
6254 1 18 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.727 0.314 18171
6255 1 18 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.626 0.041 18171
6256 1 18 . 1 1 53 53 ILE H H 53 8.400 8.400 8.517 -0.117 18171
6257 1 18 . 1 1 54 54 SER N N 54 114.267 114.267 114.026 0.241 18171
6258 1 18 . 1 1 54 54 SER HA H 54 4.050 4.050 4.238 -0.188 18171
6259 1 18 . 1 1 54 54 SER C C 54 175.690 175.690 176.288 -0.598 18171
6260 1 18 . 1 1 54 54 SER CA C 54 61.417 61.417 61.147 0.270 18171
6261 1 18 . 1 1 54 54 SER CB C 54 62.922 62.922 63.053 -0.131 18171
6262 1 18 . 1 1 54 54 SER H H 54 8.042 8.042 7.649 0.393 18171
6263 1 18 . 1 1 55 55 GLN N N 55 118.045 118.045 120.420 -2.375 18171
6264 1 18 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.116 0.024 18171
6265 1 18 . 1 1 55 55 GLN C C 55 177.193 177.193 178.038 -0.845 18171
6266 1 18 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.962 -0.880 18171
6267 1 18 . 1 1 55 55 GLN CB C 55 28.720 28.720 28.814 -0.094 18171
6268 1 18 . 1 1 55 55 GLN H H 55 7.415 7.415 7.600 -0.185 18171
6269 1 18 . 1 1 56 56 LEU N N 56 118.492 118.492 117.606 0.886 18171
6270 1 18 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.118 -0.085 18171
6271 1 18 . 1 1 56 56 LEU C C 56 176.578 176.578 176.689 -0.111 18171
6272 1 18 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.369 -0.464 18171
6273 1 18 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.413 0.136 18171
6274 1 18 . 1 1 56 56 LEU H H 56 7.732 7.732 7.949 -0.217 18171
6275 1 18 . 1 1 57 57 PHE N N 57 116.774 116.774 114.488 2.286 18171
6276 1 18 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.993 -0.101 18171
6277 1 18 . 1 1 57 57 PHE C C 57 173.125 173.125 174.234 -1.109 18171
6278 1 18 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.394 1.817 18171
6279 1 18 . 1 1 57 57 PHE CB C 57 39.023 39.023 37.876 1.147 18171
6280 1 18 . 1 1 57 57 PHE H H 57 7.629 7.629 7.262 0.367 18171
6281 1 18 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.503 -0.023 18171
6282 1 18 . 1 1 58 58 PRO C C 58 178.090 178.090 176.737 1.353 18171
6283 1 18 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.598 0.374 18171
6284 1 18 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.268 -0.341 18171
6285 1 18 . 1 1 59 59 GLY N N 59 108.335 108.335 107.648 0.687 18171
6286 1 18 . 1 1 59 59 GLY C C 59 174.930 174.930 173.341 1.589 18171
6287 1 18 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.474 -0.090 18171
6288 1 18 . 1 1 59 59 GLY H H 59 8.411 8.411 7.840 0.571 18171
6289 1 18 . 1 1 60 60 MET N N 60 119.206 119.206 123.338 -4.132 18171
6290 1 18 . 1 1 60 60 MET HA H 60 4.467 4.467 4.510 -0.043 18171
6291 1 18 . 1 1 60 60 MET C C 60 176.320 176.320 176.367 -0.047 18171
6292 1 18 . 1 1 60 60 MET CA C 60 56.395 56.395 54.974 1.421 18171
6293 1 18 . 1 1 60 60 MET CB C 60 32.964 32.964 31.375 1.589 18171
6294 1 18 . 1 1 60 60 MET H H 60 8.053 8.053 8.341 -0.288 18171
6295 1 18 . 1 1 61 61 THR N N 61 111.041 111.041 119.729 -8.688 18171
6296 1 18 . 1 1 61 61 THR HA H 61 4.402 4.402 4.181 0.221 18171
6297 1 18 . 1 1 61 61 THR C C 61 173.976 173.976 175.727 -1.751 18171
6298 1 18 . 1 1 61 61 THR CA C 61 61.233 61.233 64.682 -3.449 18171
6299 1 18 . 1 1 61 61 THR CB C 61 70.120 70.120 69.274 0.846 18171
6300 1 18 . 1 1 61 61 THR H H 61 7.880 7.880 7.817 0.063 18171
6301 1 19 . 1 1 2 2 GLU N N 2 115.081 115.081 121.490 -6.409 18171
6302 1 19 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.026 -0.166 18171
6303 1 19 . 1 1 2 2 GLU C C 2 179.259 179.259 178.604 0.655 18171
6304 1 19 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.523 0.837 18171
6305 1 19 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.579 -0.853 18171
6306 1 19 . 1 1 2 2 GLU H H 2 8.756 8.756 8.817 -0.061 18171
6307 1 19 . 1 1 3 3 GLU N N 3 120.051 120.051 119.858 0.193 18171
6308 1 19 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.151 -0.135 18171
6309 1 19 . 1 1 3 3 GLU C C 3 178.863 178.863 179.019 -0.156 18171
6310 1 19 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.237 -0.231 18171
6311 1 19 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.531 0.834 18171
6312 1 19 . 1 1 3 3 GLU H H 3 7.722 7.722 8.448 -0.726 18171
6313 1 19 . 1 1 4 4 VAL N N 4 120.223 120.223 119.231 0.992 18171
6314 1 19 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.753 -0.244 18171
6315 1 19 . 1 1 4 4 VAL C C 4 177.687 177.687 178.394 -0.707 18171
6316 1 19 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.191 1.476 18171
6317 1 19 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.939 -0.398 18171
6318 1 19 . 1 1 4 4 VAL H H 4 7.815 7.815 7.851 -0.036 18171
6319 1 19 . 1 1 5 5 ILE N N 5 118.475 118.475 119.585 -1.110 18171
6320 1 19 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.551 -0.051 18171
6321 1 19 . 1 1 5 5 ILE C C 5 177.638 177.638 177.500 0.138 18171
6322 1 19 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.920 -0.559 18171
6323 1 19 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.243 -0.107 18171
6324 1 19 . 1 1 5 5 ILE H H 5 8.293 8.293 8.523 -0.230 18171
6325 1 19 . 1 1 6 6 SER N N 6 113.327 113.327 114.510 -1.183 18171
6326 1 19 . 1 1 6 6 SER HA H 6 4.034 4.034 4.200 -0.166 18171
6327 1 19 . 1 1 6 6 SER C C 6 176.398 176.398 176.529 -0.131 18171
6328 1 19 . 1 1 6 6 SER CA C 6 61.781 61.781 61.251 0.530 18171
6329 1 19 . 1 1 6 6 SER CB C 6 62.770 62.770 63.010 -0.240 18171
6330 1 19 . 1 1 6 6 SER H H 6 7.740 7.740 7.742 -0.002 18171
6331 1 19 . 1 1 7 7 LYS N N 7 119.755 119.755 122.507 -2.752 18171
6332 1 19 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.177 -0.034 18171
6333 1 19 . 1 1 7 7 LYS C C 7 179.622 179.622 178.862 0.760 18171
6334 1 19 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.677 -0.671 18171
6335 1 19 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.878 -0.136 18171
6336 1 19 . 1 1 7 7 LYS H H 7 7.523 7.523 8.097 -0.574 18171
6337 1 19 . 1 1 8 8 ILE N N 8 119.544 119.544 120.142 -0.598 18171
6338 1 19 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.826 -0.183 18171
6339 1 19 . 1 1 8 8 ILE C C 8 177.510 177.510 177.402 0.108 18171
6340 1 19 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.169 2.011 18171
6341 1 19 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.151 1.310 18171
6342 1 19 . 1 1 8 8 ILE H H 8 8.132 8.132 7.780 0.352 18171
6343 1 19 . 1 1 9 9 MET N N 9 114.616 114.616 117.338 -2.722 18171
6344 1 19 . 1 1 9 9 MET HA H 9 4.104 4.104 4.145 -0.041 18171
6345 1 19 . 1 1 9 9 MET C C 9 177.018 177.018 177.195 -0.177 18171
6346 1 19 . 1 1 9 9 MET CA C 9 56.601 56.601 58.037 -1.436 18171
6347 1 19 . 1 1 9 9 MET CB C 9 31.479 31.479 31.818 -0.339 18171
6348 1 19 . 1 1 9 9 MET H H 9 7.835 7.835 7.496 0.339 18171
6349 1 19 . 1 1 10 10 GLU N N 10 116.206 116.206 118.656 -2.450 18171
6350 1 19 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.039 0.113 18171
6351 1 19 . 1 1 10 10 GLU C C 10 176.263 176.263 177.163 -0.900 18171
6352 1 19 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.685 -0.602 18171
6353 1 19 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.593 0.417 18171
6354 1 19 . 1 1 10 10 GLU H H 10 7.318 7.318 7.781 -0.463 18171
6355 1 19 . 1 1 11 11 ASN N N 11 119.007 119.007 117.310 1.697 18171
6356 1 19 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.083 0.058 18171
6357 1 19 . 1 1 11 11 ASN C C 11 173.093 173.093 173.278 -0.185 18171
6358 1 19 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.182 0.527 18171
6359 1 19 . 1 1 11 11 ASN CB C 11 40.100 40.100 40.007 0.093 18171
6360 1 19 . 1 1 11 11 ASN H H 11 7.707 7.707 7.745 -0.038 18171
6361 1 19 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.128 0.155 18171
6362 1 19 . 1 1 12 12 PRO C C 12 177.932 177.932 177.543 0.389 18171
6363 1 19 . 1 1 12 12 PRO CA C 12 65.228 65.228 64.959 0.269 18171
6364 1 19 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.630 0.378 18171
6365 1 19 . 1 1 13 13 ASP N N 13 116.410 116.410 117.760 -1.350 18171
6366 1 19 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.493 -0.068 18171
6367 1 19 . 1 1 13 13 ASP C C 13 178.456 178.456 178.526 -0.070 18171
6368 1 19 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.221 -0.412 18171
6369 1 19 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.797 -0.858 18171
6370 1 19 . 1 1 13 13 ASP H H 13 8.218 8.218 8.538 -0.320 18171
6371 1 19 . 1 1 14 14 VAL N N 14 120.053 120.053 120.309 -0.256 18171
6372 1 19 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.749 0.033 18171
6373 1 19 . 1 1 14 14 VAL C C 14 177.045 177.045 177.621 -0.576 18171
6374 1 19 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.491 -1.141 18171
6375 1 19 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.652 0.109 18171
6376 1 19 . 1 1 14 14 VAL H H 14 7.722 7.722 7.994 -0.272 18171
6377 1 19 . 1 1 15 15 ALA N N 15 121.814 121.814 122.768 -0.954 18171
6378 1 19 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.792 0.130 18171
6379 1 19 . 1 1 15 15 ALA C C 15 180.315 180.315 179.214 1.101 18171
6380 1 19 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.222 0.432 18171
6381 1 19 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.271 -0.094 18171
6382 1 19 . 1 1 15 15 ALA H H 15 8.245 8.245 7.479 0.766 18171
6383 1 19 . 1 1 16 16 MET N N 16 114.438 114.438 115.956 -1.518 18171
6384 1 19 . 1 1 16 16 MET HA H 16 4.234 4.234 4.365 -0.131 18171
6385 1 19 . 1 1 16 16 MET C C 16 178.930 178.930 178.948 -0.018 18171
6386 1 19 . 1 1 16 16 MET CA C 16 58.011 58.011 56.994 1.017 18171
6387 1 19 . 1 1 16 16 MET CB C 16 32.027 32.027 32.262 -0.235 18171
6388 1 19 . 1 1 16 16 MET H H 16 7.878 7.878 7.789 0.089 18171
6389 1 19 . 1 1 17 17 ALA N N 17 123.280 123.280 123.719 -0.439 18171
6390 1 19 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.192 -0.014 18171
6391 1 19 . 1 1 17 17 ALA C C 17 179.091 179.091 179.696 -0.605 18171
6392 1 19 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.978 -0.415 18171
6393 1 19 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.053 0.338 18171
6394 1 19 . 1 1 17 17 ALA H H 17 7.647 7.647 8.024 -0.377 18171
6395 1 19 . 1 1 18 18 PHE N N 18 114.808 114.808 116.150 -1.342 18171
6396 1 19 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.215 -0.097 18171
6397 1 19 . 1 1 18 18 PHE C C 18 175.169 175.169 176.572 -1.403 18171
6398 1 19 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.278 -0.844 18171
6399 1 19 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.619 0.424 18171
6400 1 19 . 1 1 18 18 PHE H H 18 8.032 8.032 8.526 -0.494 18171
6401 1 19 . 1 1 19 19 GLN N N 19 114.221 114.221 117.042 -2.821 18171
6402 1 19 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.327 -0.260 18171
6403 1 19 . 1 1 19 19 GLN C C 19 175.843 175.843 175.612 0.231 18171
6404 1 19 . 1 1 19 19 GLN CA C 19 56.147 56.147 56.041 0.106 18171
6405 1 19 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.925 -0.305 18171
6406 1 19 . 1 1 19 19 GLN H H 19 7.414 7.414 7.516 -0.102 18171
6407 1 19 . 1 1 20 20 ASN N N 20 119.994 119.994 119.472 0.522 18171
6408 1 19 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.204 -0.321 18171
6409 1 19 . 1 1 20 20 ASN C C 20 174.726 174.726 173.997 0.729 18171
6410 1 19 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.240 0.361 18171
6411 1 19 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.108 -0.852 18171
6412 1 19 . 1 1 20 20 ASN H H 20 7.497 7.497 7.953 -0.456 18171
6413 1 19 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.406 -0.217 18171
6414 1 19 . 1 1 21 21 PRO C C 21 178.747 178.747 178.537 0.210 18171
6415 1 19 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.690 -0.644 18171
6416 1 19 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.303 -0.182 18171
6417 1 19 . 1 1 22 22 ARG N N 22 117.899 117.899 118.986 -1.087 18171
6418 1 19 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.135 -0.042 18171
6419 1 19 . 1 1 22 22 ARG C C 22 178.827 178.827 178.454 0.373 18171
6420 1 19 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.813 0.173 18171
6421 1 19 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.223 1.208 18171
6422 1 19 . 1 1 22 22 ARG H H 22 8.066 8.066 8.673 -0.607 18171
6423 1 19 . 1 1 23 23 VAL N N 23 119.694 119.694 119.670 0.024 18171
6424 1 19 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.681 -0.297 18171
6425 1 19 . 1 1 23 23 VAL C C 23 177.319 177.319 177.773 -0.454 18171
6426 1 19 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.217 -0.469 18171
6427 1 19 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.016 0.505 18171
6428 1 19 . 1 1 23 23 VAL H H 23 7.199 7.199 7.470 -0.271 18171
6429 1 19 . 1 1 24 24 GLN N N 24 117.842 117.842 119.889 -2.047 18171
6430 1 19 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.741 -0.108 18171
6431 1 19 . 1 1 24 24 GLN C C 24 177.902 177.902 178.055 -0.153 18171
6432 1 19 . 1 1 24 24 GLN CA C 24 59.669 59.669 58.792 0.877 18171
6433 1 19 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.030 -0.010 18171
6434 1 19 . 1 1 24 24 GLN H H 24 7.790 7.790 8.169 -0.379 18171
6435 1 19 . 1 1 25 25 ALA N N 25 119.267 119.267 120.856 -1.589 18171
6436 1 19 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.007 0.039 18171
6437 1 19 . 1 1 25 25 ALA C C 25 179.854 179.854 178.774 1.080 18171
6438 1 19 . 1 1 25 25 ALA CA C 25 55.046 55.046 55.142 -0.096 18171
6439 1 19 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.221 -0.397 18171
6440 1 19 . 1 1 25 25 ALA H H 25 7.808 7.808 8.036 -0.228 18171
6441 1 19 . 1 1 26 26 ALA N N 26 120.738 120.738 121.934 -1.196 18171
6442 1 19 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.620 0.301 18171
6443 1 19 . 1 1 26 26 ALA C C 26 179.988 179.988 179.838 0.150 18171
6444 1 19 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.447 0.752 18171
6445 1 19 . 1 1 26 26 ALA CB C 26 18.171 18.171 17.863 0.308 18171
6446 1 19 . 1 1 26 26 ALA H H 26 7.500 7.500 7.081 0.419 18171
6447 1 19 . 1 1 27 27 LEU N N 27 118.511 118.511 119.049 -0.538 18171
6448 1 19 . 1 1 27 27 LEU HA H 27 3.913 3.913 3.999 -0.086 18171
6449 1 19 . 1 1 27 27 LEU C C 27 179.923 179.923 179.016 0.907 18171
6450 1 19 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.558 0.501 18171
6451 1 19 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.761 -0.833 18171
6452 1 19 . 1 1 27 27 LEU H H 27 8.324 8.324 8.430 -0.106 18171
6453 1 19 . 1 1 28 28 MET N N 28 118.681 118.681 118.854 -0.173 18171
6454 1 19 . 1 1 28 28 MET HA H 28 4.144 4.144 4.087 0.057 18171
6455 1 19 . 1 1 28 28 MET C C 28 179.635 179.635 178.327 1.308 18171
6456 1 19 . 1 1 28 28 MET CA C 28 58.734 58.734 57.680 1.054 18171
6457 1 19 . 1 1 28 28 MET CB C 28 31.901 31.901 32.458 -0.557 18171
6458 1 19 . 1 1 28 28 MET H H 28 8.127 8.127 8.376 -0.249 18171
6459 1 19 . 1 1 29 29 GLU N N 29 119.813 119.813 119.242 0.571 18171
6460 1 19 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.197 0.029 18171
6461 1 19 . 1 1 29 29 GLU C C 29 180.544 180.544 178.959 1.585 18171
6462 1 19 . 1 1 29 29 GLU CA C 29 59.696 59.696 59.099 0.597 18171
6463 1 19 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.392 0.285 18171
6464 1 19 . 1 1 29 29 GLU H H 29 8.302 8.302 8.331 -0.029 18171
6465 1 19 . 1 1 30 30 CYS N N 30 118.465 118.465 118.006 0.459 18171
6466 1 19 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.104 0.349 18171
6467 1 19 . 1 1 30 30 CYS C C 30 175.357 175.357 175.467 -0.110 18171
6468 1 19 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.124 0.358 18171
6469 1 19 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.555 -0.765 18171
6470 1 19 . 1 1 30 30 CYS H H 30 8.465 8.465 8.128 0.337 18171
6471 1 19 . 1 1 31 31 SER N N 31 114.366 114.366 114.307 0.059 18171
6472 1 19 . 1 1 31 31 SER HA H 31 4.174 4.174 4.124 0.050 18171
6473 1 19 . 1 1 31 31 SER C C 31 175.371 175.371 176.058 -0.687 18171
6474 1 19 . 1 1 31 31 SER CA C 31 60.932 60.932 61.266 -0.334 18171
6475 1 19 . 1 1 31 31 SER CB C 31 62.749 62.749 62.973 -0.224 18171
6476 1 19 . 1 1 31 31 SER H H 31 7.859 7.859 7.524 0.335 18171
6477 1 19 . 1 1 32 32 GLU N N 32 119.996 119.996 120.070 -0.074 18171
6478 1 19 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.182 0.022 18171
6479 1 19 . 1 1 32 32 GLU C C 32 176.983 176.983 176.493 0.490 18171
6480 1 19 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.365 -0.393 18171
6481 1 19 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.293 -0.216 18171
6482 1 19 . 1 1 32 32 GLU H H 32 7.254 7.254 8.330 -1.076 18171
6483 1 19 . 1 1 33 33 ASN N N 33 113.026 113.026 110.617 2.409 18171
6484 1 19 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.902 0.071 18171
6485 1 19 . 1 1 33 33 ASN C C 33 173.504 173.504 172.932 0.572 18171
6486 1 19 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.055 -1.319 18171
6487 1 19 . 1 1 33 33 ASN CB C 33 39.485 39.485 37.064 2.421 18171
6488 1 19 . 1 1 33 33 ASN H H 33 7.370 7.370 7.630 -0.260 18171
6489 1 19 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.235 0.339 18171
6490 1 19 . 1 1 34 34 PRO C C 34 178.270 178.270 177.438 0.832 18171
6491 1 19 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.836 -0.009 18171
6492 1 19 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.840 -0.086 18171
6493 1 19 . 1 1 35 35 MET N N 35 115.258 115.258 116.215 -0.957 18171
6494 1 19 . 1 1 35 35 MET HA H 35 4.330 4.330 4.366 -0.036 18171
6495 1 19 . 1 1 35 35 MET C C 35 178.569 178.569 177.628 0.941 18171
6496 1 19 . 1 1 35 35 MET CA C 35 57.050 57.050 57.685 -0.635 18171
6497 1 19 . 1 1 35 35 MET CB C 35 31.300 31.300 31.830 -0.530 18171
6498 1 19 . 1 1 35 35 MET H H 35 7.962 7.962 7.932 0.030 18171
6499 1 19 . 1 1 36 36 ASN N N 36 117.357 117.357 119.467 -2.110 18171
6500 1 19 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.486 0.087 18171
6501 1 19 . 1 1 36 36 ASN C C 36 176.470 176.470 177.341 -0.871 18171
6502 1 19 . 1 1 36 36 ASN CA C 36 55.126 55.126 56.173 -1.047 18171
6503 1 19 . 1 1 36 36 ASN CB C 36 38.442 38.442 38.301 0.141 18171
6504 1 19 . 1 1 36 36 ASN H H 36 8.462 8.462 8.560 -0.098 18171
6505 1 19 . 1 1 37 37 ILE N N 37 121.622 121.622 122.037 -0.415 18171
6506 1 19 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.752 0.358 18171
6507 1 19 . 1 1 37 37 ILE C C 37 177.331 177.331 176.677 0.654 18171
6508 1 19 . 1 1 37 37 ILE CA C 37 62.588 62.588 63.033 -0.445 18171
6509 1 19 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.707 0.308 18171
6510 1 19 . 1 1 37 37 ILE H H 37 7.820 7.820 7.338 0.482 18171
6511 1 19 . 1 1 38 38 MET N N 38 118.071 118.071 116.410 1.661 18171
6512 1 19 . 1 1 38 38 MET HA H 38 4.174 4.174 4.032 0.142 18171
6513 1 19 . 1 1 38 38 MET C C 38 178.456 178.456 177.944 0.512 18171
6514 1 19 . 1 1 38 38 MET CA C 38 57.563 57.563 58.449 -0.886 18171
6515 1 19 . 1 1 38 38 MET CB C 38 31.533 31.533 32.028 -0.495 18171
6516 1 19 . 1 1 38 38 MET H H 38 7.479 7.479 7.422 0.057 18171
6517 1 19 . 1 1 39 39 LYS N N 39 117.427 117.427 118.482 -1.055 18171
6518 1 19 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.071 -0.124 18171
6519 1 19 . 1 1 39 39 LYS C C 39 177.456 177.456 178.813 -1.357 18171
6520 1 19 . 1 1 39 39 LYS CA C 39 58.012 58.012 58.449 -0.437 18171
6521 1 19 . 1 1 39 39 LYS CB C 39 31.773 31.773 32.452 -0.679 18171
6522 1 19 . 1 1 39 39 LYS H H 39 7.580 7.580 7.893 -0.313 18171
6523 1 19 . 1 1 40 40 TYR N N 40 116.049 116.049 117.200 -1.151 18171
6524 1 19 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.534 -0.004 18171
6525 1 19 . 1 1 40 40 TYR C C 40 175.635 175.635 178.206 -2.571 18171
6526 1 19 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.797 -0.399 18171
6527 1 19 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.757 2.733 18171
6528 1 19 . 1 1 40 40 TYR H H 40 7.651 7.651 7.613 0.038 18171
6529 1 19 . 1 1 41 41 GLN N N 41 116.626 116.626 120.285 -3.659 18171
6530 1 19 . 1 1 41 41 GLN HA H 41 4.333 4.333 4.000 0.333 18171
6531 1 19 . 1 1 41 41 GLN C C 41 175.887 175.887 176.622 -0.735 18171
6532 1 19 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.221 0.365 18171
6533 1 19 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.353 1.694 18171
6534 1 19 . 1 1 41 41 GLN H H 41 7.001 7.001 7.783 -0.782 18171
6535 1 19 . 1 1 42 42 ASN N N 42 114.491 114.491 114.765 -0.274 18171
6536 1 19 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.588 0.274 18171
6537 1 19 . 1 1 42 42 ASN C C 42 173.784 173.784 175.909 -2.125 18171
6538 1 19 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.606 -1.074 18171
6539 1 19 . 1 1 42 42 ASN CB C 42 38.588 38.588 38.452 0.136 18171
6540 1 19 . 1 1 42 42 ASN H H 42 8.281 8.281 7.658 0.623 18171
6541 1 19 . 1 1 43 43 ASP N N 43 122.981 122.981 121.940 1.041 18171
6542 1 19 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.739 0.016 18171
6543 1 19 . 1 1 43 43 ASP C C 43 174.773 174.773 176.156 -1.383 18171
6544 1 19 . 1 1 43 43 ASP CA C 43 52.607 52.607 52.827 -0.220 18171
6545 1 19 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.691 0.678 18171
6546 1 19 . 1 1 43 43 ASP H H 43 7.960 7.960 8.181 -0.221 18171
6547 1 19 . 1 1 44 44 LYS N N 44 125.893 125.893 126.735 -0.842 18171
6548 1 19 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.886 -0.026 18171
6549 1 19 . 1 1 44 44 LYS C C 44 177.796 177.796 178.168 -0.372 18171
6550 1 19 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.495 0.302 18171
6551 1 19 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.574 -0.038 18171
6552 1 19 . 1 1 44 44 LYS H H 44 8.361 8.361 7.923 0.438 18171
6553 1 19 . 1 1 45 45 GLU N N 45 116.698 116.698 118.869 -2.171 18171
6554 1 19 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.124 -0.057 18171
6555 1 19 . 1 1 45 45 GLU C C 45 178.724 178.724 178.817 -0.093 18171
6556 1 19 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.344 0.111 18171
6557 1 19 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.176 0.581 18171
6558 1 19 . 1 1 45 45 GLU H H 45 8.127 8.127 7.900 0.227 18171
6559 1 19 . 1 1 46 46 VAL N N 46 117.476 117.476 120.189 -2.713 18171
6560 1 19 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.708 -0.294 18171
6561 1 19 . 1 1 46 46 VAL C C 46 177.879 177.879 178.318 -0.439 18171
6562 1 19 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.419 0.011 18171
6563 1 19 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.396 0.632 18171
6564 1 19 . 1 1 46 46 VAL H H 46 7.452 7.452 7.836 -0.384 18171
6565 1 19 . 1 1 47 47 MET N N 47 117.027 117.027 118.853 -1.826 18171
6566 1 19 . 1 1 47 47 MET HA H 47 4.479 4.479 4.155 0.324 18171
6567 1 19 . 1 1 47 47 MET C C 47 179.307 179.307 178.804 0.503 18171
6568 1 19 . 1 1 47 47 MET CA C 47 56.809 56.809 58.114 -1.305 18171
6569 1 19 . 1 1 47 47 MET CB C 47 30.371 30.371 30.945 -0.574 18171
6570 1 19 . 1 1 47 47 MET H H 47 8.542 8.542 8.116 0.426 18171
6571 1 19 . 1 1 48 48 ASP N N 48 119.811 119.811 120.691 -0.880 18171
6572 1 19 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.426 0.066 18171
6573 1 19 . 1 1 48 48 ASP C C 48 179.136 179.136 179.150 -0.014 18171
6574 1 19 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.724 -0.153 18171
6575 1 19 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.594 -0.141 18171
6576 1 19 . 1 1 48 48 ASP H H 48 8.580 8.580 8.062 0.518 18171
6577 1 19 . 1 1 49 49 VAL N N 49 118.816 118.816 120.213 -1.397 18171
6578 1 19 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.807 -0.169 18171
6579 1 19 . 1 1 49 49 VAL C C 49 177.777 177.777 177.154 0.623 18171
6580 1 19 . 1 1 49 49 VAL CA C 49 66.457 66.457 65.110 1.347 18171
6581 1 19 . 1 1 49 49 VAL CB C 49 31.066 31.066 32.081 -1.016 18171
6582 1 19 . 1 1 49 49 VAL H H 49 7.319 7.319 7.590 -0.271 18171
6583 1 19 . 1 1 50 50 PHE N N 50 120.305 120.305 119.820 0.485 18171
6584 1 19 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.233 -0.097 18171
6585 1 19 . 1 1 50 50 PHE C C 50 178.505 178.505 177.314 1.191 18171
6586 1 19 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.212 -0.672 18171
6587 1 19 . 1 1 50 50 PHE CB C 50 38.309 38.309 39.154 -0.845 18171
6588 1 19 . 1 1 50 50 PHE H H 50 8.529 8.529 8.967 -0.438 18171
6589 1 19 . 1 1 51 51 ASN N N 51 117.888 117.888 117.522 0.366 18171
6590 1 19 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.494 -0.079 18171
6591 1 19 . 1 1 51 51 ASN C C 51 177.863 177.863 176.936 0.927 18171
6592 1 19 . 1 1 51 51 ASN CA C 51 56.168 56.168 56.121 0.047 18171
6593 1 19 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.591 -0.282 18171
6594 1 19 . 1 1 51 51 ASN H H 51 8.886 8.886 8.658 0.228 18171
6595 1 19 . 1 1 52 52 LYS N N 52 120.120 120.120 122.051 -1.931 18171
6596 1 19 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.210 -0.100 18171
6597 1 19 . 1 1 52 52 LYS C C 52 179.002 179.002 178.479 0.523 18171
6598 1 19 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.292 -0.318 18171
6599 1 19 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.706 -0.651 18171
6600 1 19 . 1 1 52 52 LYS H H 52 7.760 7.760 7.520 0.240 18171
6601 1 19 . 1 1 53 53 ILE N N 53 117.988 117.988 119.263 -1.275 18171
6602 1 19 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.463 0.294 18171
6603 1 19 . 1 1 53 53 ILE C C 53 177.686 177.686 176.695 0.991 18171
6604 1 19 . 1 1 53 53 ILE CA C 53 65.041 65.041 63.816 1.225 18171
6605 1 19 . 1 1 53 53 ILE CB C 53 37.667 37.667 36.595 1.072 18171
6606 1 19 . 1 1 53 53 ILE H H 53 8.400 8.400 8.128 0.272 18171
6607 1 19 . 1 1 54 54 SER N N 54 114.267 114.267 112.524 1.743 18171
6608 1 19 . 1 1 54 54 SER HA H 54 4.050 4.050 4.241 -0.191 18171
6609 1 19 . 1 1 54 54 SER C C 54 175.690 175.690 175.775 -0.085 18171
6610 1 19 . 1 1 54 54 SER CA C 54 61.417 61.417 60.237 1.180 18171
6611 1 19 . 1 1 54 54 SER CB C 54 62.922 62.922 63.849 -0.927 18171
6612 1 19 . 1 1 54 54 SER H H 54 8.042 8.042 7.661 0.381 18171
6613 1 19 . 1 1 55 55 GLN N N 55 118.045 118.045 120.175 -2.130 18171
6614 1 19 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.238 -0.098 18171
6615 1 19 . 1 1 55 55 GLN C C 55 177.193 177.193 178.157 -0.964 18171
6616 1 19 . 1 1 55 55 GLN CA C 55 57.082 57.082 58.295 -1.213 18171
6617 1 19 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.352 -0.632 18171
6618 1 19 . 1 1 55 55 GLN H H 55 7.415 7.415 7.556 -0.141 18171
6619 1 19 . 1 1 56 56 LEU N N 56 118.492 118.492 119.222 -0.730 18171
6620 1 19 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.157 -0.124 18171
6621 1 19 . 1 1 56 56 LEU C C 56 176.578 176.578 175.981 0.597 18171
6622 1 19 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.323 -0.418 18171
6623 1 19 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.484 0.065 18171
6624 1 19 . 1 1 56 56 LEU H H 56 7.732 7.732 8.104 -0.372 18171
6625 1 19 . 1 1 57 57 PHE N N 57 116.774 116.774 116.073 0.701 18171
6626 1 19 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.881 0.011 18171
6627 1 19 . 1 1 57 57 PHE C C 57 173.125 173.125 175.020 -1.895 18171
6628 1 19 . 1 1 57 57 PHE CA C 57 55.211 55.211 54.089 1.122 18171
6629 1 19 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.675 0.348 18171
6630 1 19 . 1 1 57 57 PHE H H 57 7.629 7.629 7.955 -0.326 18171
6631 1 19 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.559 -0.079 18171
6632 1 19 . 1 1 58 58 PRO C C 58 178.090 178.090 177.152 0.938 18171
6633 1 19 . 1 1 58 58 PRO CA C 58 63.972 63.972 62.727 1.246 18171
6634 1 19 . 1 1 58 58 PRO CB C 58 30.927 30.927 30.693 0.234 18171
6635 1 19 . 1 1 59 59 GLY N N 59 108.335 108.335 108.451 -0.116 18171
6636 1 19 . 1 1 59 59 GLY C C 59 174.930 174.930 174.703 0.227 18171
6637 1 19 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.486 -0.102 18171
6638 1 19 . 1 1 59 59 GLY H H 59 8.411 8.411 7.766 0.645 18171
6639 1 19 . 1 1 60 60 MET N N 60 119.206 119.206 118.368 0.838 18171
6640 1 19 . 1 1 60 60 MET HA H 60 4.467 4.467 4.279 0.188 18171
6641 1 19 . 1 1 60 60 MET C C 60 176.320 176.320 176.530 -0.210 18171
6642 1 19 . 1 1 60 60 MET CA C 60 56.395 56.395 56.941 -0.546 18171
6643 1 19 . 1 1 60 60 MET CB C 60 32.964 32.964 32.628 0.336 18171
6644 1 19 . 1 1 60 60 MET H H 60 8.053 8.053 8.094 -0.041 18171
6645 1 19 . 1 1 61 61 THR N N 61 111.041 111.041 113.450 -2.409 18171
6646 1 19 . 1 1 61 61 THR HA H 61 4.402 4.402 4.263 0.139 18171
6647 1 19 . 1 1 61 61 THR C C 61 173.976 173.976 175.788 -1.812 18171
6648 1 19 . 1 1 61 61 THR CA C 61 61.233 61.233 62.139 -0.906 18171
6649 1 19 . 1 1 61 61 THR CB C 61 70.120 70.120 69.242 0.878 18171
6650 1 19 . 1 1 61 61 THR H H 61 7.880 7.880 7.631 0.249 18171
6651 1 20 . 1 1 2 2 GLU N N 2 115.081 115.081 121.152 -6.071 18171
6652 1 20 . 1 1 2 2 GLU HA H 2 3.860 3.860 3.993 -0.133 18171
6653 1 20 . 1 1 2 2 GLU C C 2 179.259 179.259 178.212 1.047 18171
6654 1 20 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.429 0.931 18171
6655 1 20 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.245 -0.519 18171
6656 1 20 . 1 1 2 2 GLU H H 2 8.756 8.756 9.047 -0.291 18171
6657 1 20 . 1 1 3 3 GLU N N 3 120.051 120.051 119.652 0.399 18171
6658 1 20 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.096 -0.080 18171
6659 1 20 . 1 1 3 3 GLU C C 3 178.863 178.863 178.731 0.132 18171
6660 1 20 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.060 -0.054 18171
6661 1 20 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.090 1.275 18171
6662 1 20 . 1 1 3 3 GLU H H 3 7.722 7.722 8.480 -0.758 18171
6663 1 20 . 1 1 4 4 VAL N N 4 120.223 120.223 119.524 0.699 18171
6664 1 20 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.602 -0.093 18171
6665 1 20 . 1 1 4 4 VAL C C 4 177.687 177.687 177.804 -0.117 18171
6666 1 20 . 1 1 4 4 VAL CA C 4 66.667 66.667 66.130 0.537 18171
6667 1 20 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.149 0.392 18171
6668 1 20 . 1 1 4 4 VAL H H 4 7.815 7.815 7.843 -0.028 18171
6669 1 20 . 1 1 5 5 ILE N N 5 118.475 118.475 117.689 0.786 18171
6670 1 20 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.697 -0.197 18171
6671 1 20 . 1 1 5 5 ILE C C 5 177.638 177.638 178.242 -0.604 18171
6672 1 20 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.533 -0.172 18171
6673 1 20 . 1 1 5 5 ILE CB C 5 37.136 37.136 36.318 0.818 18171
6674 1 20 . 1 1 5 5 ILE H H 5 8.293 8.293 8.136 0.157 18171
6675 1 20 . 1 1 6 6 SER N N 6 113.327 113.327 114.309 -0.982 18171
6676 1 20 . 1 1 6 6 SER HA H 6 4.034 4.034 4.239 -0.205 18171
6677 1 20 . 1 1 6 6 SER C C 6 176.398 176.398 176.313 0.085 18171
6678 1 20 . 1 1 6 6 SER CA C 6 61.781 61.781 61.397 0.384 18171
6679 1 20 . 1 1 6 6 SER CB C 6 62.770 62.770 62.876 -0.106 18171
6680 1 20 . 1 1 6 6 SER H H 6 7.740 7.740 8.017 -0.277 18171
6681 1 20 . 1 1 7 7 LYS N N 7 119.755 119.755 121.813 -2.058 18171
6682 1 20 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.113 0.030 18171
6683 1 20 . 1 1 7 7 LYS C C 7 179.622 179.622 178.893 0.729 18171
6684 1 20 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.492 -0.486 18171
6685 1 20 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.818 -0.076 18171
6686 1 20 . 1 1 7 7 LYS H H 7 7.523 7.523 7.845 -0.322 18171
6687 1 20 . 1 1 8 8 ILE N N 8 119.544 119.544 120.803 -1.259 18171
6688 1 20 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.695 -0.052 18171
6689 1 20 . 1 1 8 8 ILE C C 8 177.510 177.510 177.446 0.064 18171
6690 1 20 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.480 1.700 18171
6691 1 20 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.332 1.129 18171
6692 1 20 . 1 1 8 8 ILE H H 8 8.132 8.132 7.618 0.514 18171
6693 1 20 . 1 1 9 9 MET N N 9 114.616 114.616 116.564 -1.948 18171
6694 1 20 . 1 1 9 9 MET HA H 9 4.104 4.104 4.110 -0.006 18171
6695 1 20 . 1 1 9 9 MET C C 9 177.018 177.018 177.402 -0.384 18171
6696 1 20 . 1 1 9 9 MET CA C 9 56.601 56.601 56.487 0.114 18171
6697 1 20 . 1 1 9 9 MET CB C 9 31.479 31.479 30.758 0.721 18171
6698 1 20 . 1 1 9 9 MET H H 9 7.835 7.835 7.668 0.167 18171
6699 1 20 . 1 1 10 10 GLU N N 10 116.206 116.206 119.324 -3.118 18171
6700 1 20 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.074 0.078 18171
6701 1 20 . 1 1 10 10 GLU C C 10 176.263 176.263 177.036 -0.773 18171
6702 1 20 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.764 -0.681 18171
6703 1 20 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.826 0.184 18171
6704 1 20 . 1 1 10 10 GLU H H 10 7.318 7.318 7.863 -0.545 18171
6705 1 20 . 1 1 11 11 ASN N N 11 119.007 119.007 116.706 2.301 18171
6706 1 20 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.101 0.040 18171
6707 1 20 . 1 1 11 11 ASN C C 11 173.093 173.093 173.299 -0.206 18171
6708 1 20 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.712 -0.003 18171
6709 1 20 . 1 1 11 11 ASN CB C 11 40.100 40.100 40.232 -0.132 18171
6710 1 20 . 1 1 11 11 ASN H H 11 7.707 7.707 7.987 -0.280 18171
6711 1 20 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.079 0.204 18171
6712 1 20 . 1 1 12 12 PRO C C 12 177.932 177.932 177.272 0.660 18171
6713 1 20 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.217 0.011 18171
6714 1 20 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.953 0.055 18171
6715 1 20 . 1 1 13 13 ASP N N 13 116.410 116.410 117.257 -0.847 18171
6716 1 20 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.487 -0.062 18171
6717 1 20 . 1 1 13 13 ASP C C 13 178.456 178.456 178.493 -0.037 18171
6718 1 20 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.215 -0.406 18171
6719 1 20 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.675 -0.736 18171
6720 1 20 . 1 1 13 13 ASP H H 13 8.218 8.218 8.434 -0.216 18171
6721 1 20 . 1 1 14 14 VAL N N 14 120.053 120.053 120.776 -0.723 18171
6722 1 20 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.804 -0.022 18171
6723 1 20 . 1 1 14 14 VAL C C 14 177.045 177.045 177.656 -0.611 18171
6724 1 20 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.750 -1.400 18171
6725 1 20 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.392 0.369 18171
6726 1 20 . 1 1 14 14 VAL H H 14 7.722 7.722 8.113 -0.391 18171
6727 1 20 . 1 1 15 15 ALA N N 15 121.814 121.814 122.416 -0.602 18171
6728 1 20 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.799 0.123 18171
6729 1 20 . 1 1 15 15 ALA C C 15 180.315 180.315 179.282 1.033 18171
6730 1 20 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.094 0.559 18171
6731 1 20 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.227 -0.050 18171
6732 1 20 . 1 1 15 15 ALA H H 15 8.245 8.245 7.519 0.726 18171
6733 1 20 . 1 1 16 16 MET N N 16 114.438 114.438 118.150 -3.712 18171
6734 1 20 . 1 1 16 16 MET HA H 16 4.234 4.234 4.284 -0.050 18171
6735 1 20 . 1 1 16 16 MET C C 16 178.930 178.930 178.622 0.308 18171
6736 1 20 . 1 1 16 16 MET CA C 16 58.011 58.011 57.056 0.955 18171
6737 1 20 . 1 1 16 16 MET CB C 16 32.027 32.027 32.670 -0.643 18171
6738 1 20 . 1 1 16 16 MET H H 16 7.878 7.878 7.721 0.157 18171
6739 1 20 . 1 1 17 17 ALA N N 17 123.280 123.280 123.277 0.003 18171
6740 1 20 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.188 -0.010 18171
6741 1 20 . 1 1 17 17 ALA C C 17 179.091 179.091 179.777 -0.686 18171
6742 1 20 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.905 -0.342 18171
6743 1 20 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.001 0.390 18171
6744 1 20 . 1 1 17 17 ALA H H 17 7.647 7.647 8.229 -0.582 18171
6745 1 20 . 1 1 18 18 PHE N N 18 114.808 114.808 116.233 -1.425 18171
6746 1 20 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.267 -0.149 18171
6747 1 20 . 1 1 18 18 PHE C C 18 175.169 175.169 176.600 -1.431 18171
6748 1 20 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.421 -0.987 18171
6749 1 20 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.738 0.305 18171
6750 1 20 . 1 1 18 18 PHE H H 18 8.032 8.032 8.601 -0.569 18171
6751 1 20 . 1 1 19 19 GLN N N 19 114.221 114.221 117.007 -2.786 18171
6752 1 20 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.358 -0.291 18171
6753 1 20 . 1 1 19 19 GLN C C 19 175.843 175.843 175.458 0.385 18171
6754 1 20 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.528 0.619 18171
6755 1 20 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.722 -0.102 18171
6756 1 20 . 1 1 19 19 GLN H H 19 7.414 7.414 7.604 -0.190 18171
6757 1 20 . 1 1 20 20 ASN N N 20 119.994 119.994 119.429 0.565 18171
6758 1 20 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.186 -0.303 18171
6759 1 20 . 1 1 20 20 ASN C C 20 174.726 174.726 174.014 0.712 18171
6760 1 20 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.333 0.268 18171
6761 1 20 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.401 -1.144 18171
6762 1 20 . 1 1 20 20 ASN H H 20 7.497 7.497 7.857 -0.360 18171
6763 1 20 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.342 -0.153 18171
6764 1 20 . 1 1 21 21 PRO C C 21 178.747 178.747 178.534 0.213 18171
6765 1 20 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.455 -0.409 18171
6766 1 20 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.273 -0.152 18171
6767 1 20 . 1 1 22 22 ARG N N 22 117.899 117.899 118.624 -0.725 18171
6768 1 20 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.061 0.032 18171
6769 1 20 . 1 1 22 22 ARG C C 22 178.827 178.827 178.752 0.075 18171
6770 1 20 . 1 1 22 22 ARG CA C 22 58.986 58.986 59.151 -0.166 18171
6771 1 20 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.435 0.996 18171
6772 1 20 . 1 1 22 22 ARG H H 22 8.066 8.066 8.124 -0.058 18171
6773 1 20 . 1 1 23 23 VAL N N 23 119.694 119.694 120.102 -0.408 18171
6774 1 20 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.664 -0.280 18171
6775 1 20 . 1 1 23 23 VAL C C 23 177.319 177.319 177.763 -0.444 18171
6776 1 20 . 1 1 23 23 VAL CA C 23 65.748 65.748 65.928 -0.180 18171
6777 1 20 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.075 0.446 18171
6778 1 20 . 1 1 23 23 VAL H H 23 7.199 7.199 7.904 -0.705 18171
6779 1 20 . 1 1 24 24 GLN N N 24 117.842 117.842 119.007 -1.165 18171
6780 1 20 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.791 -0.158 18171
6781 1 20 . 1 1 24 24 GLN C C 24 177.902 177.902 178.320 -0.418 18171
6782 1 20 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.259 0.410 18171
6783 1 20 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.249 -0.229 18171
6784 1 20 . 1 1 24 24 GLN H H 24 7.790 7.790 8.029 -0.239 18171
6785 1 20 . 1 1 25 25 ALA N N 25 119.267 119.267 120.854 -1.587 18171
6786 1 20 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.109 -0.063 18171
6787 1 20 . 1 1 25 25 ALA C C 25 179.854 179.854 179.009 0.845 18171
6788 1 20 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.663 0.383 18171
6789 1 20 . 1 1 25 25 ALA CB C 25 17.824 17.824 17.978 -0.154 18171
6790 1 20 . 1 1 25 25 ALA H H 25 7.808 7.808 8.008 -0.200 18171
6791 1 20 . 1 1 26 26 ALA N N 26 120.738 120.738 122.119 -1.381 18171
6792 1 20 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.692 0.229 18171
6793 1 20 . 1 1 26 26 ALA C C 26 179.988 179.988 179.809 0.179 18171
6794 1 20 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.541 0.659 18171
6795 1 20 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.029 0.142 18171
6796 1 20 . 1 1 26 26 ALA H H 26 7.500 7.500 7.579 -0.079 18171
6797 1 20 . 1 1 27 27 LEU N N 27 118.511 118.511 119.914 -1.403 18171
6798 1 20 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.126 -0.213 18171
6799 1 20 . 1 1 27 27 LEU C C 27 179.923 179.923 178.796 1.127 18171
6800 1 20 . 1 1 27 27 LEU CA C 27 58.059 58.059 58.198 -0.139 18171
6801 1 20 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.742 -0.814 18171
6802 1 20 . 1 1 27 27 LEU H H 27 8.324 8.324 8.045 0.279 18171
6803 1 20 . 1 1 28 28 MET N N 28 118.681 118.681 118.865 -0.184 18171
6804 1 20 . 1 1 28 28 MET HA H 28 4.144 4.144 3.927 0.217 18171
6805 1 20 . 1 1 28 28 MET C C 28 179.635 179.635 178.119 1.516 18171
6806 1 20 . 1 1 28 28 MET CA C 28 58.734 58.734 59.479 -0.745 18171
6807 1 20 . 1 1 28 28 MET CB C 28 31.901 31.901 32.586 -0.685 18171
6808 1 20 . 1 1 28 28 MET H H 28 8.127 8.127 8.469 -0.342 18171
6809 1 20 . 1 1 29 29 GLU N N 29 119.813 119.813 119.266 0.547 18171
6810 1 20 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.090 0.136 18171
6811 1 20 . 1 1 29 29 GLU C C 29 180.544 180.544 179.365 1.179 18171
6812 1 20 . 1 1 29 29 GLU CA C 29 59.696 59.696 59.153 0.543 18171
6813 1 20 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.733 -0.056 18171
6814 1 20 . 1 1 29 29 GLU H H 29 8.302 8.302 8.475 -0.173 18171
6815 1 20 . 1 1 30 30 CYS N N 30 118.465 118.465 119.719 -1.254 18171
6816 1 20 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.497 -0.044 18171
6817 1 20 . 1 1 30 30 CYS C C 30 175.357 175.357 176.124 -0.767 18171
6818 1 20 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.041 0.441 18171
6819 1 20 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.481 -0.691 18171
6820 1 20 . 1 1 30 30 CYS H H 30 8.465 8.465 8.238 0.227 18171
6821 1 20 . 1 1 31 31 SER N N 31 114.366 114.366 114.495 -0.129 18171
6822 1 20 . 1 1 31 31 SER HA H 31 4.174 4.174 4.223 -0.049 18171
6823 1 20 . 1 1 31 31 SER C C 31 175.371 175.371 176.245 -0.874 18171
6824 1 20 . 1 1 31 31 SER CA C 31 60.932 60.932 61.148 -0.216 18171
6825 1 20 . 1 1 31 31 SER CB C 31 62.749 62.749 62.935 -0.186 18171
6826 1 20 . 1 1 31 31 SER H H 31 7.859 7.859 7.799 0.060 18171
6827 1 20 . 1 1 32 32 GLU N N 32 119.996 119.996 121.484 -1.488 18171
6828 1 20 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.283 -0.079 18171
6829 1 20 . 1 1 32 32 GLU C C 32 176.983 176.983 176.549 0.434 18171
6830 1 20 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.178 -0.206 18171
6831 1 20 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.432 -0.355 18171
6832 1 20 . 1 1 32 32 GLU H H 32 7.254 7.254 8.118 -0.864 18171
6833 1 20 . 1 1 33 33 ASN N N 33 113.026 113.026 112.346 0.680 18171
6834 1 20 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.933 0.040 18171
6835 1 20 . 1 1 33 33 ASN C C 33 173.504 173.504 172.824 0.680 18171
6836 1 20 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.007 -1.271 18171
6837 1 20 . 1 1 33 33 ASN CB C 33 39.485 39.485 36.718 2.767 18171
6838 1 20 . 1 1 33 33 ASN H H 33 7.370 7.370 7.669 -0.299 18171
6839 1 20 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.341 0.233 18171
6840 1 20 . 1 1 34 34 PRO C C 34 178.270 178.270 177.618 0.652 18171
6841 1 20 . 1 1 34 34 PRO CA C 34 64.827 64.827 65.059 -0.232 18171
6842 1 20 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.852 -0.098 18171
6843 1 20 . 1 1 35 35 MET N N 35 115.258 115.258 113.276 1.982 18171
6844 1 20 . 1 1 35 35 MET HA H 35 4.330 4.330 4.200 0.130 18171
6845 1 20 . 1 1 35 35 MET C C 35 178.569 178.569 176.594 1.975 18171
6846 1 20 . 1 1 35 35 MET CA C 35 57.050 57.050 57.644 -0.594 18171
6847 1 20 . 1 1 35 35 MET CB C 35 31.300 31.300 31.369 -0.069 18171
6848 1 20 . 1 1 35 35 MET H H 35 7.962 7.962 8.110 -0.148 18171
6849 1 20 . 1 1 36 36 ASN N N 36 117.357 117.357 116.866 0.491 18171
6850 1 20 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.642 -0.069 18171
6851 1 20 . 1 1 36 36 ASN C C 36 176.470 176.470 177.029 -0.559 18171
6852 1 20 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.367 -0.241 18171
6853 1 20 . 1 1 36 36 ASN CB C 36 38.442 38.442 38.094 0.348 18171
6854 1 20 . 1 1 36 36 ASN H H 36 8.462 8.462 8.089 0.373 18171
6855 1 20 . 1 1 37 37 ILE N N 37 121.622 121.622 122.296 -0.674 18171
6856 1 20 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.798 0.312 18171
6857 1 20 . 1 1 37 37 ILE C C 37 177.331 177.331 176.876 0.455 18171
6858 1 20 . 1 1 37 37 ILE CA C 37 62.588 62.588 62.585 0.003 18171
6859 1 20 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.855 0.160 18171
6860 1 20 . 1 1 37 37 ILE H H 37 7.820 7.820 7.451 0.369 18171
6861 1 20 . 1 1 38 38 MET N N 38 118.071 118.071 116.833 1.238 18171
6862 1 20 . 1 1 38 38 MET HA H 38 4.174 4.174 4.318 -0.144 18171
6863 1 20 . 1 1 38 38 MET C C 38 178.456 178.456 176.830 1.626 18171
6864 1 20 . 1 1 38 38 MET CA C 38 57.563 57.563 57.694 -0.131 18171
6865 1 20 . 1 1 38 38 MET CB C 38 31.533 31.533 31.996 -0.463 18171
6866 1 20 . 1 1 38 38 MET H H 38 7.479 7.479 7.530 -0.051 18171
6867 1 20 . 1 1 39 39 LYS N N 39 117.427 117.427 117.541 -0.114 18171
6868 1 20 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.246 -0.299 18171
6869 1 20 . 1 1 39 39 LYS C C 39 177.456 177.456 178.018 -0.562 18171
6870 1 20 . 1 1 39 39 LYS CA C 39 58.012 58.012 57.164 0.848 18171
6871 1 20 . 1 1 39 39 LYS CB C 39 31.773 31.773 34.439 -2.666 18171
6872 1 20 . 1 1 39 39 LYS H H 39 7.580 7.580 7.715 -0.135 18171
6873 1 20 . 1 1 40 40 TYR N N 40 116.049 116.049 120.317 -4.268 18171
6874 1 20 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.618 -0.088 18171
6875 1 20 . 1 1 40 40 TYR C C 40 175.635 175.635 178.406 -2.771 18171
6876 1 20 . 1 1 40 40 TYR CA C 40 58.398 58.398 59.284 -0.886 18171
6877 1 20 . 1 1 40 40 TYR CB C 40 39.490 39.490 37.041 2.449 18171
6878 1 20 . 1 1 40 40 TYR H H 40 7.651 7.651 7.621 0.030 18171
6879 1 20 . 1 1 41 41 GLN N N 41 116.626 116.626 119.226 -2.600 18171
6880 1 20 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.949 0.384 18171
6881 1 20 . 1 1 41 41 GLN C C 41 175.887 175.887 176.788 -0.901 18171
6882 1 20 . 1 1 41 41 GLN CA C 41 58.586 58.586 59.006 -0.420 18171
6883 1 20 . 1 1 41 41 GLN CB C 41 29.047 29.047 28.376 0.671 18171
6884 1 20 . 1 1 41 41 GLN H H 41 7.001 7.001 7.685 -0.684 18171
6885 1 20 . 1 1 42 42 ASN N N 42 114.491 114.491 113.985 0.506 18171
6886 1 20 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.635 0.227 18171
6887 1 20 . 1 1 42 42 ASN C C 42 173.784 173.784 175.599 -1.815 18171
6888 1 20 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.290 -0.758 18171
6889 1 20 . 1 1 42 42 ASN CB C 42 38.588 38.588 38.667 -0.079 18171
6890 1 20 . 1 1 42 42 ASN H H 42 8.281 8.281 7.570 0.711 18171
6891 1 20 . 1 1 43 43 ASP N N 43 122.981 122.981 122.092 0.889 18171
6892 1 20 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.726 0.029 18171
6893 1 20 . 1 1 43 43 ASP C C 43 174.773 174.773 176.316 -1.543 18171
6894 1 20 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.224 -0.617 18171
6895 1 20 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.724 0.645 18171
6896 1 20 . 1 1 43 43 ASP H H 43 7.960 7.960 8.160 -0.200 18171
6897 1 20 . 1 1 44 44 LYS N N 44 125.893 125.893 125.820 0.073 18171
6898 1 20 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.907 -0.047 18171
6899 1 20 . 1 1 44 44 LYS C C 44 177.796 177.796 178.497 -0.701 18171
6900 1 20 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.522 0.274 18171
6901 1 20 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.395 0.141 18171
6902 1 20 . 1 1 44 44 LYS H H 44 8.361 8.361 8.115 0.246 18171
6903 1 20 . 1 1 45 45 GLU N N 45 116.698 116.698 119.762 -3.064 18171
6904 1 20 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.123 -0.056 18171
6905 1 20 . 1 1 45 45 GLU C C 45 178.724 178.724 178.812 -0.088 18171
6906 1 20 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.647 -0.192 18171
6907 1 20 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.644 0.113 18171
6908 1 20 . 1 1 45 45 GLU H H 45 8.127 8.127 8.163 -0.036 18171
6909 1 20 . 1 1 46 46 VAL N N 46 117.476 117.476 119.521 -2.045 18171
6910 1 20 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.767 -0.353 18171
6911 1 20 . 1 1 46 46 VAL C C 46 177.879 177.879 178.186 -0.307 18171
6912 1 20 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.173 0.257 18171
6913 1 20 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.459 0.569 18171
6914 1 20 . 1 1 46 46 VAL H H 46 7.452 7.452 7.772 -0.320 18171
6915 1 20 . 1 1 47 47 MET N N 47 117.027 117.027 119.739 -2.712 18171
6916 1 20 . 1 1 47 47 MET HA H 47 4.479 4.479 4.213 0.266 18171
6917 1 20 . 1 1 47 47 MET C C 47 179.307 179.307 177.947 1.360 18171
6918 1 20 . 1 1 47 47 MET CA C 47 56.809 56.809 58.856 -2.047 18171
6919 1 20 . 1 1 47 47 MET CB C 47 30.371 30.371 31.694 -1.323 18171
6920 1 20 . 1 1 47 47 MET H H 47 8.542 8.542 8.541 0.000 18171
6921 1 20 . 1 1 48 48 ASP N N 48 119.811 119.811 120.046 -0.235 18171
6922 1 20 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.441 0.051 18171
6923 1 20 . 1 1 48 48 ASP C C 48 179.136 179.136 178.848 0.288 18171
6924 1 20 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.584 -0.013 18171
6925 1 20 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.911 -0.458 18171
6926 1 20 . 1 1 48 48 ASP H H 48 8.580 8.580 7.854 0.726 18171
6927 1 20 . 1 1 49 49 VAL N N 49 118.816 118.816 119.723 -0.907 18171
6928 1 20 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.761 -0.123 18171
6929 1 20 . 1 1 49 49 VAL C C 49 177.777 177.777 177.896 -0.119 18171
6930 1 20 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.506 -0.049 18171
6931 1 20 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.771 -0.705 18171
6932 1 20 . 1 1 49 49 VAL H H 49 7.319 7.319 7.506 -0.187 18171
6933 1 20 . 1 1 50 50 PHE N N 50 120.305 120.305 119.512 0.793 18171
6934 1 20 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.213 -0.077 18171
6935 1 20 . 1 1 50 50 PHE C C 50 178.505 178.505 178.149 0.356 18171
6936 1 20 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.438 -0.898 18171
6937 1 20 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.556 -0.247 18171
6938 1 20 . 1 1 50 50 PHE H H 50 8.529 8.529 9.278 -0.749 18171
6939 1 20 . 1 1 51 51 ASN N N 51 117.888 117.888 117.424 0.464 18171
6940 1 20 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.577 -0.162 18171
6941 1 20 . 1 1 51 51 ASN C C 51 177.863 177.863 177.118 0.745 18171
6942 1 20 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.653 0.515 18171
6943 1 20 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.440 -0.131 18171
6944 1 20 . 1 1 51 51 ASN H H 51 8.886 8.886 8.623 0.263 18171
6945 1 20 . 1 1 52 52 LYS N N 52 120.120 120.120 120.999 -0.879 18171
6946 1 20 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.032 0.078 18171
6947 1 20 . 1 1 52 52 LYS C C 52 179.002 179.002 178.223 0.779 18171
6948 1 20 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.207 -0.233 18171
6949 1 20 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.259 -0.204 18171
6950 1 20 . 1 1 52 52 LYS H H 52 7.760 7.760 7.220 0.540 18171
6951 1 20 . 1 1 53 53 ILE N N 53 117.988 117.988 119.672 -1.684 18171
6952 1 20 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.505 0.252 18171
6953 1 20 . 1 1 53 53 ILE C C 53 177.686 177.686 177.785 -0.099 18171
6954 1 20 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.882 0.159 18171
6955 1 20 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.777 -0.110 18171
6956 1 20 . 1 1 53 53 ILE H H 53 8.400 8.400 8.522 -0.122 18171
6957 1 20 . 1 1 54 54 SER N N 54 114.267 114.267 113.437 0.830 18171
6958 1 20 . 1 1 54 54 SER HA H 54 4.050 4.050 4.242 -0.192 18171
6959 1 20 . 1 1 54 54 SER C C 54 175.690 175.690 176.010 -0.320 18171
6960 1 20 . 1 1 54 54 SER CA C 54 61.417 61.417 60.578 0.839 18171
6961 1 20 . 1 1 54 54 SER CB C 54 62.922 62.922 63.312 -0.390 18171
6962 1 20 . 1 1 54 54 SER H H 54 8.042 8.042 7.632 0.410 18171
6963 1 20 . 1 1 55 55 GLN N N 55 118.045 118.045 119.642 -1.597 18171
6964 1 20 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.039 0.101 18171
6965 1 20 . 1 1 55 55 GLN C C 55 177.193 177.193 177.800 -0.607 18171
6966 1 20 . 1 1 55 55 GLN CA C 55 57.082 57.082 58.364 -1.282 18171
6967 1 20 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.093 -0.373 18171
6968 1 20 . 1 1 55 55 GLN H H 55 7.415 7.415 7.519 -0.104 18171
6969 1 20 . 1 1 56 56 LEU N N 56 118.492 118.492 117.303 1.189 18171
6970 1 20 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.110 -0.077 18171
6971 1 20 . 1 1 56 56 LEU C C 56 176.578 176.578 176.515 0.063 18171
6972 1 20 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.252 -0.347 18171
6973 1 20 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.597 -0.048 18171
6974 1 20 . 1 1 56 56 LEU H H 56 7.732 7.732 7.798 -0.066 18171
6975 1 20 . 1 1 57 57 PHE N N 57 116.774 116.774 115.875 0.899 18171
6976 1 20 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.932 -0.040 18171
6977 1 20 . 1 1 57 57 PHE C C 57 173.125 173.125 174.259 -1.134 18171
6978 1 20 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.390 1.821 18171
6979 1 20 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.057 0.966 18171
6980 1 20 . 1 1 57 57 PHE H H 57 7.629 7.629 7.203 0.426 18171
6981 1 20 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.505 -0.025 18171
6982 1 20 . 1 1 58 58 PRO C C 58 178.090 178.090 177.067 1.023 18171
6983 1 20 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.623 0.349 18171
6984 1 20 . 1 1 58 58 PRO CB C 58 30.927 30.927 30.035 0.892 18171
6985 1 20 . 1 1 59 59 GLY N N 59 108.335 108.335 107.162 1.173 18171
6986 1 20 . 1 1 59 59 GLY C C 59 174.930 174.930 173.805 1.125 18171
6987 1 20 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.194 0.190 18171
6988 1 20 . 1 1 59 59 GLY H H 59 8.411 8.411 7.853 0.558 18171
6989 1 20 . 1 1 60 60 MET N N 60 119.206 119.206 118.461 0.745 18171
6990 1 20 . 1 1 60 60 MET HA H 60 4.467 4.467 4.081 0.386 18171
6991 1 20 . 1 1 60 60 MET C C 60 176.320 176.320 177.000 -0.680 18171
6992 1 20 . 1 1 60 60 MET CA C 60 56.395 56.395 55.949 0.446 18171
6993 1 20 . 1 1 60 60 MET CB C 60 32.964 32.964 31.245 1.718 18171
6994 1 20 . 1 1 60 60 MET H H 60 8.053 8.053 7.835 0.218 18171
6995 1 20 . 1 1 61 61 THR N N 61 111.041 111.041 116.454 -5.413 18171
6996 1 20 . 1 1 61 61 THR HA H 61 4.402 4.402 4.202 0.200 18171
6997 1 20 . 1 1 61 61 THR C C 61 173.976 173.976 175.922 -1.946 18171
6998 1 20 . 1 1 61 61 THR CA C 61 61.233 61.233 62.997 -1.764 18171
6999 1 20 . 1 1 61 61 THR CB C 61 70.120 70.120 68.906 1.214 18171
7000 1 20 . 1 1 61 61 THR H H 61 7.880 7.880 8.116 -0.236 18171
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 56 2.010 0.973 1.774 18171
2 1 1 "Average Difference" HA 59 0.178 -0.011 0.179 18171
3 1 1 "Average Difference" C 60 0.806 0.039 0.812 18171
4 1 1 "Average Difference" CA 60 0.790 0.052 0.795 18171
5 1 1 "Average Difference" CB 59 0.813 -0.114 0.811 18171
6 1 1 "Average Difference" HN 56 0.433 0.071 0.431 18171
7 1 2 "Average Difference" N 56 1.969 0.893 1.770 18171
8 1 2 "Average Difference" HA 59 0.160 0.010 0.161 18171
9 1 2 "Average Difference" C 60 0.881 -0.055 0.886 18171
10 1 2 "Average Difference" CA 60 0.861 0.035 0.868 18171
11 1 2 "Average Difference" CB 59 0.772 0.012 0.779 18171
12 1 2 "Average Difference" HN 56 0.388 0.028 0.390 18171
13 1 3 "Average Difference" N 56 1.969 0.949 1.741 18171
14 1 3 "Average Difference" HA 59 0.224 -0.023 0.224 18171
15 1 3 "Average Difference" C 60 0.860 -0.080 0.863 18171
16 1 3 "Average Difference" CA 60 0.879 0.174 0.869 18171
17 1 3 "Average Difference" CB 59 0.713 0.004 0.719 18171
18 1 3 "Average Difference" HN 56 0.449 0.058 0.450 18171
19 1 4 "Average Difference" N 56 1.839 0.781 1.680 18171
20 1 4 "Average Difference" HA 59 0.181 0.019 0.182 18171
21 1 4 "Average Difference" C 60 0.855 -0.069 0.859 18171
22 1 4 "Average Difference" CA 60 0.899 -0.006 0.907 18171
23 1 4 "Average Difference" CB 59 0.932 -0.016 0.940 18171
24 1 4 "Average Difference" HN 56 0.395 0.056 0.395 18171
25 1 5 "Average Difference" N 56 1.799 0.615 1.705 18171
26 1 5 "Average Difference" HA 59 0.186 0.011 0.188 18171
27 1 5 "Average Difference" C 60 0.916 -0.092 0.920 18171
28 1 5 "Average Difference" CA 60 0.933 0.008 0.941 18171
29 1 5 "Average Difference" CB 59 0.777 -0.095 0.778 18171
30 1 5 "Average Difference" HN 56 0.396 0.026 0.398 18171
31 1 6 "Average Difference" N 56 1.824 0.822 1.643 18171
32 1 6 "Average Difference" HA 59 0.175 0.010 0.177 18171
33 1 6 "Average Difference" C 60 0.778 -0.009 0.785 18171
34 1 6 "Average Difference" CA 60 0.827 0.004 0.834 18171
35 1 6 "Average Difference" CB 59 0.872 -0.051 0.878 18171
36 1 6 "Average Difference" HN 56 0.382 0.051 0.382 18171
37 1 7 "Average Difference" N 56 2.052 1.096 1.751 18171
38 1 7 "Average Difference" HA 59 0.174 0.019 0.174 18171
39 1 7 "Average Difference" C 60 0.806 -0.051 0.811 18171
40 1 7 "Average Difference" CA 60 0.883 0.063 0.889 18171
41 1 7 "Average Difference" CB 59 0.813 -0.059 0.818 18171
42 1 7 "Average Difference" HN 56 0.383 0.043 0.384 18171
43 1 8 "Average Difference" N 56 1.916 0.736 1.785 18171
44 1 8 "Average Difference" HA 59 0.172 0.007 0.173 18171
45 1 8 "Average Difference" C 60 0.850 -0.066 0.855 18171
46 1 8 "Average Difference" CA 60 0.797 -0.010 0.804 18171
47 1 8 "Average Difference" CB 59 0.874 -0.081 0.878 18171
48 1 8 "Average Difference" HN 56 0.400 0.081 0.395 18171
49 1 9 "Average Difference" N 56 1.985 0.937 1.766 18171
50 1 9 "Average Difference" HA 59 0.180 0.023 0.180 18171
51 1 9 "Average Difference" C 60 0.856 -0.051 0.862 18171
52 1 9 "Average Difference" CA 60 0.806 0.033 0.812 18171
53 1 9 "Average Difference" CB 59 0.763 -0.014 0.769 18171
54 1 9 "Average Difference" HN 56 0.390 0.036 0.391 18171
55 1 10 "Average Difference" N 56 1.914 0.879 1.715 18171
56 1 10 "Average Difference" HA 59 0.159 -0.008 0.160 18171
57 1 10 "Average Difference" C 60 0.853 -0.015 0.860 18171
58 1 10 "Average Difference" CA 60 0.670 0.026 0.676 18171
59 1 10 "Average Difference" CB 59 0.816 -0.070 0.820 18171
60 1 10 "Average Difference" HN 56 0.400 0.068 0.397 18171
61 1 11 "Average Difference" N 56 1.759 0.730 1.615 18171
62 1 11 "Average Difference" HA 59 0.180 0.014 0.181 18171
63 1 11 "Average Difference" C 60 0.837 -0.095 0.839 18171
64 1 11 "Average Difference" CA 60 0.915 0.013 0.922 18171
65 1 11 "Average Difference" CB 59 0.791 -0.044 0.796 18171
66 1 11 "Average Difference" HN 56 0.381 0.090 0.373 18171
67 1 12 "Average Difference" N 56 1.960 0.838 1.787 18171
68 1 12 "Average Difference" HA 59 0.157 0.012 0.158 18171
69 1 12 "Average Difference" C 60 0.862 -0.108 0.862 18171
70 1 12 "Average Difference" CA 60 0.704 -0.014 0.710 18171
71 1 12 "Average Difference" CB 59 0.786 -0.063 0.791 18171
72 1 12 "Average Difference" HN 56 0.402 0.038 0.404 18171
73 1 13 "Average Difference" N 56 2.045 0.918 1.844 18171
74 1 13 "Average Difference" HA 59 0.219 -0.006 0.221 18171
75 1 13 "Average Difference" C 60 0.834 -0.091 0.836 18171
76 1 13 "Average Difference" CA 60 0.823 0.092 0.824 18171
77 1 13 "Average Difference" CB 59 0.853 0.024 0.860 18171
78 1 13 "Average Difference" HN 56 0.399 0.042 0.400 18171
79 1 14 "Average Difference" N 56 1.910 0.931 1.683 18171
80 1 14 "Average Difference" HA 59 0.167 0.011 0.168 18171
81 1 14 "Average Difference" C 60 0.846 -0.093 0.848 18171
82 1 14 "Average Difference" CA 60 0.699 0.031 0.704 18171
83 1 14 "Average Difference" CB 59 0.746 -0.015 0.752 18171
84 1 14 "Average Difference" HN 56 0.366 0.059 0.364 18171
85 1 15 "Average Difference" N 56 1.730 0.775 1.561 18171
86 1 15 "Average Difference" HA 59 0.192 0.017 0.192 18171
87 1 15 "Average Difference" C 60 0.885 -0.089 0.888 18171
88 1 15 "Average Difference" CA 60 0.906 0.010 0.914 18171
89 1 15 "Average Difference" CB 59 0.848 -0.068 0.852 18171
90 1 15 "Average Difference" HN 56 0.395 0.044 0.396 18171
91 1 16 "Average Difference" N 56 1.879 0.732 1.746 18171
92 1 16 "Average Difference" HA 59 0.183 0.006 0.185 18171
93 1 16 "Average Difference" C 60 0.874 -0.036 0.880 18171
94 1 16 "Average Difference" CA 60 0.875 0.059 0.881 18171
95 1 16 "Average Difference" CB 59 0.884 -0.015 0.891 18171
96 1 16 "Average Difference" HN 56 0.382 0.055 0.382 18171
97 1 17 "Average Difference" N 56 1.882 0.848 1.695 18171
98 1 17 "Average Difference" HA 59 0.170 0.013 0.171 18171
99 1 17 "Average Difference" C 60 0.810 0.012 0.816 18171
100 1 17 "Average Difference" CA 60 0.767 0.047 0.772 18171
101 1 17 "Average Difference" CB 59 0.754 0.060 0.758 18171
102 1 17 "Average Difference" HN 56 0.414 0.046 0.415 18171
103 1 18 "Average Difference" N 56 2.201 1.032 1.961 18171
104 1 18 "Average Difference" HA 59 0.168 0.006 0.169 18171
105 1 18 "Average Difference" C 60 0.944 -0.056 0.950 18171
106 1 18 "Average Difference" CA 60 0.978 0.061 0.985 18171
107 1 18 "Average Difference" CB 59 0.793 -0.016 0.800 18171
108 1 18 "Average Difference" HN 56 0.392 0.066 0.390 18171
109 1 19 "Average Difference" N 56 1.718 0.837 1.513 18171
110 1 19 "Average Difference" HA 59 0.172 0.003 0.174 18171
111 1 19 "Average Difference" C 60 0.884 0.017 0.891 18171
112 1 19 "Average Difference" CA 60 0.788 0.025 0.794 18171
113 1 19 "Average Difference" CB 59 0.760 -0.067 0.764 18171
114 1 19 "Average Difference" HN 56 0.393 0.058 0.392 18171
115 1 20 "Average Difference" N 56 1.877 0.789 1.719 18171
116 1 20 "Average Difference" HA 59 0.172 0.011 0.173 18171
117 1 20 "Average Difference" C 60 0.915 -0.006 0.923 18171
118 1 20 "Average Difference" CA 60 0.724 0.073 0.727 18171
119 1 20 "Average Difference" CB 59 0.841 -0.096 0.843 18171
120 1 20 "Average Difference" HN 56 0.392 0.065 0.390 18171
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 18171
_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 2 2 GLU N N 2 115.081 115.081 121.308 -6.227 18171
2 1 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.020 -0.160 18171
3 1 . 1 1 2 2 GLU C C 2 179.259 179.259 178.369 0.890 18171
4 1 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.327 1.033 18171
5 1 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.265 -0.539 18171
6 1 . 1 1 2 2 GLU H H 2 8.756 8.756 8.948 -0.192 18171
7 1 . 1 1 3 3 GLU N N 3 120.051 120.051 119.398 0.653 18171
8 1 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.075 -0.059 18171
9 1 . 1 1 3 3 GLU C C 3 178.863 178.863 178.804 0.059 18171
10 1 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.279 -0.273 18171
11 1 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.267 1.098 18171
12 1 . 1 1 3 3 GLU H H 3 7.722 7.722 8.484 -0.762 18171
13 1 . 1 1 4 4 VAL N N 4 120.223 120.223 119.596 0.627 18171
14 1 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.712 -0.203 18171
15 1 . 1 1 4 4 VAL C C 4 177.687 177.687 177.989 -0.302 18171
16 1 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.529 1.138 18171
17 1 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.673 -0.132 18171
18 1 . 1 1 4 4 VAL H H 4 7.815 7.815 7.611 0.204 18171
19 1 . 1 1 5 5 ILE N N 5 118.475 118.475 119.152 -0.677 18171
20 1 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.579 -0.079 18171
21 1 . 1 1 5 5 ILE C C 5 177.638 177.638 177.899 -0.261 18171
22 1 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.914 -0.553 18171
23 1 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.086 0.050 18171
24 1 . 1 1 5 5 ILE H H 5 8.293 8.293 8.174 0.119 18171
25 1 . 1 1 6 6 SER N N 6 113.327 113.327 114.625 -1.298 18171
26 1 . 1 1 6 6 SER HA H 6 4.034 4.034 4.216 -0.182 18171
27 1 . 1 1 6 6 SER C C 6 176.398 176.398 176.278 0.121 18171
28 1 . 1 1 6 6 SER CA C 6 61.781 61.781 61.176 0.605 18171
29 1 . 1 1 6 6 SER CB C 6 62.770 62.770 62.943 -0.173 18171
30 1 . 1 1 6 6 SER H H 6 7.740 7.740 7.832 -0.092 18171
31 1 . 1 1 7 7 LYS N N 7 119.755 119.755 122.143 -2.388 18171
32 1 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.141 0.002 18171
33 1 . 1 1 7 7 LYS C C 7 179.622 179.622 178.724 0.898 18171
34 1 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.476 -0.470 18171
35 1 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.863 -0.121 18171
36 1 . 1 1 7 7 LYS H H 7 7.523 7.523 7.879 -0.356 18171
37 1 . 1 1 8 8 ILE N N 8 119.544 119.544 120.335 -0.791 18171
38 1 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.738 -0.095 18171
39 1 . 1 1 8 8 ILE C C 8 177.510 177.510 177.268 0.242 18171
40 1 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.232 1.948 18171
41 1 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.489 0.972 18171
42 1 . 1 1 8 8 ILE H H 8 8.132 8.132 7.685 0.447 18171
43 1 . 1 1 9 9 MET N N 9 114.616 114.616 117.361 -2.745 18171
44 1 . 1 1 9 9 MET HA H 9 4.104 4.104 4.140 -0.036 18171
45 1 . 1 1 9 9 MET C C 9 177.018 177.018 177.022 -0.004 18171
46 1 . 1 1 9 9 MET CA C 9 56.601 56.601 57.439 -0.838 18171
47 1 . 1 1 9 9 MET CB C 9 31.479 31.479 31.538 -0.059 18171
48 1 . 1 1 9 9 MET H H 9 7.835 7.835 7.534 0.301 18171
49 1 . 1 1 10 10 GLU N N 10 116.206 116.206 118.692 -2.486 18171
50 1 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.091 0.061 18171
51 1 . 1 1 10 10 GLU C C 10 176.263 176.263 177.043 -0.780 18171
52 1 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.455 -0.372 18171
53 1 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.758 0.252 18171
54 1 . 1 1 10 10 GLU H H 10 7.318 7.318 7.863 -0.545 18171
55 1 . 1 1 11 11 ASN N N 11 119.007 119.007 117.798 1.209 18171
56 1 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.102 0.039 18171
57 1 . 1 1 11 11 ASN C C 11 173.093 173.093 173.245 -0.152 18171
58 1 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.828 -0.119 18171
59 1 . 1 1 11 11 ASN CB C 11 40.100 40.100 39.540 0.560 18171
60 1 . 1 1 11 11 ASN H H 11 7.707 7.707 7.832 -0.125 18171
61 1 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.102 0.181 18171
62 1 . 1 1 12 12 PRO C C 12 177.932 177.932 177.541 0.391 18171
63 1 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.153 0.075 18171
64 1 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.821 0.187 18171
65 1 . 1 1 13 13 ASP N N 13 116.410 116.410 117.430 -1.020 18171
66 1 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.456 -0.031 18171
67 1 . 1 1 13 13 ASP C C 13 178.456 178.456 178.326 0.130 18171
68 1 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.190 -0.381 18171
69 1 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.760 -0.821 18171
70 1 . 1 1 13 13 ASP H H 13 8.218 8.218 8.419 -0.201 18171
71 1 . 1 1 14 14 VAL N N 14 120.053 120.053 120.404 -0.351 18171
72 1 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.792 -0.010 18171
73 1 . 1 1 14 14 VAL C C 14 177.045 177.045 177.611 -0.566 18171
74 1 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.659 -1.309 18171
75 1 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.505 0.256 18171
76 1 . 1 1 14 14 VAL H H 14 7.722 7.722 8.111 -0.389 18171
77 1 . 1 1 15 15 ALA N N 15 121.814 121.814 122.596 -0.782 18171
78 1 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.781 0.141 18171
79 1 . 1 1 15 15 ALA C C 15 180.315 180.315 179.272 1.043 18171
80 1 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.153 0.501 18171
81 1 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.208 -0.031 18171
82 1 . 1 1 15 15 ALA H H 15 8.245 8.245 7.519 0.726 18171
83 1 . 1 1 16 16 MET N N 16 114.438 114.438 116.845 -2.407 18171
84 1 . 1 1 16 16 MET HA H 16 4.234 4.234 4.376 -0.142 18171
85 1 . 1 1 16 16 MET C C 16 178.930 178.930 178.826 0.104 18171
86 1 . 1 1 16 16 MET CA C 16 58.011 58.011 57.635 0.376 18171
87 1 . 1 1 16 16 MET CB C 16 32.027 32.027 32.628 -0.601 18171
88 1 . 1 1 16 16 MET H H 16 7.878 7.878 7.781 0.097 18171
89 1 . 1 1 17 17 ALA N N 17 123.280 123.280 123.584 -0.304 18171
90 1 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.188 -0.010 18171
91 1 . 1 1 17 17 ALA C C 17 179.091 179.091 179.656 -0.565 18171
92 1 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.930 -0.367 18171
93 1 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.075 0.316 18171
94 1 . 1 1 17 17 ALA H H 17 7.647 7.647 8.047 -0.400 18171
95 1 . 1 1 18 18 PHE N N 18 114.808 114.808 116.234 -1.426 18171
96 1 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.253 -0.135 18171
97 1 . 1 1 18 18 PHE C C 18 175.169 175.169 176.562 -1.393 18171
98 1 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.389 -0.955 18171
99 1 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.684 0.359 18171
100 1 . 1 1 18 18 PHE H H 18 8.032 8.032 8.639 -0.607 18171
101 1 . 1 1 19 19 GLN N N 19 114.221 114.221 116.903 -2.682 18171
102 1 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.327 -0.260 18171
103 1 . 1 1 19 19 GLN C C 19 175.843 175.843 175.614 0.229 18171
104 1 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.618 0.529 18171
105 1 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.703 -0.083 18171
106 1 . 1 1 19 19 GLN H H 19 7.414 7.414 7.572 -0.158 18171
107 1 . 1 1 20 20 ASN N N 20 119.994 119.994 119.499 0.495 18171
108 1 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.187 -0.304 18171
109 1 . 1 1 20 20 ASN C C 20 174.726 174.726 174.045 0.681 18171
110 1 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.365 0.236 18171
111 1 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.237 -0.980 18171
112 1 . 1 1 20 20 ASN H H 20 7.497 7.497 7.897 -0.400 18171
113 1 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.408 -0.219 18171
114 1 . 1 1 21 21 PRO C C 21 178.747 178.747 178.448 0.298 18171
115 1 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.614 -0.568 18171
116 1 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.232 -0.111 18171
117 1 . 1 1 22 22 ARG N N 22 117.899 117.899 118.487 -0.588 18171
118 1 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.021 0.072 18171
119 1 . 1 1 22 22 ARG C C 22 178.827 178.827 178.494 0.333 18171
120 1 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.979 0.007 18171
121 1 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.233 1.198 18171
122 1 . 1 1 22 22 ARG H H 22 8.066 8.066 8.528 -0.462 18171
123 1 . 1 1 23 23 VAL N N 23 119.694 119.694 119.819 -0.125 18171
124 1 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.620 -0.236 18171
125 1 . 1 1 23 23 VAL C C 23 177.319 177.319 177.658 -0.339 18171
126 1 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.185 -0.437 18171
127 1 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.233 0.288 18171
128 1 . 1 1 23 23 VAL H H 23 7.199 7.199 7.584 -0.385 18171
129 1 . 1 1 24 24 GLN N N 24 117.842 117.842 119.376 -1.534 18171
130 1 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.733 -0.100 18171
131 1 . 1 1 24 24 GLN C C 24 177.902 177.902 178.234 -0.332 18171
132 1 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.104 0.564 18171
133 1 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.371 -0.351 18171
134 1 . 1 1 24 24 GLN H H 24 7.790 7.790 8.123 -0.333 18171
135 1 . 1 1 25 25 ALA N N 25 119.267 119.267 120.825 -1.558 18171
136 1 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.066 -0.020 18171
137 1 . 1 1 25 25 ALA C C 25 179.854 179.854 178.960 0.894 18171
138 1 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.657 0.389 18171
139 1 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.129 -0.305 18171
140 1 . 1 1 25 25 ALA H H 25 7.808 7.808 8.290 -0.482 18171
141 1 . 1 1 26 26 ALA N N 26 120.738 120.738 122.203 -1.465 18171
142 1 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.661 0.260 18171
143 1 . 1 1 26 26 ALA C C 26 179.988 179.988 179.693 0.295 18171
144 1 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.479 0.720 18171
145 1 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.003 0.168 18171
146 1 . 1 1 26 26 ALA H H 26 7.500 7.500 7.360 0.140 18171
147 1 . 1 1 27 27 LEU N N 27 118.511 118.511 119.327 -0.816 18171
148 1 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.114 -0.201 18171
149 1 . 1 1 27 27 LEU C C 27 179.923 179.923 178.971 0.952 18171
150 1 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.956 0.103 18171
151 1 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.798 -0.870 18171
152 1 . 1 1 27 27 LEU H H 27 8.324 8.324 8.312 0.012 18171
153 1 . 1 1 28 28 MET N N 28 118.681 118.681 118.224 0.457 18171
154 1 . 1 1 28 28 MET HA H 28 4.144 4.144 4.045 0.099 18171
155 1 . 1 1 28 28 MET C C 28 179.635 179.635 178.473 1.162 18171
156 1 . 1 1 28 28 MET CA C 28 58.734 58.734 58.399 0.335 18171
157 1 . 1 1 28 28 MET CB C 28 31.901 31.901 32.352 -0.451 18171
158 1 . 1 1 28 28 MET H H 28 8.127 8.127 8.262 -0.135 18171
159 1 . 1 1 29 29 GLU N N 29 119.813 119.813 119.061 0.752 18171
160 1 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.187 0.040 18171
161 1 . 1 1 29 29 GLU C C 29 180.544 180.544 179.043 1.501 18171
162 1 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.855 0.841 18171
163 1 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.629 0.049 18171
164 1 . 1 1 29 29 GLU H H 29 8.302 8.302 8.269 0.033 18171
165 1 . 1 1 30 30 CYS N N 30 118.465 118.465 119.048 -0.583 18171
166 1 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.328 0.125 18171
167 1 . 1 1 30 30 CYS C C 30 175.357 175.357 175.863 -0.506 18171
168 1 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.034 0.448 18171
169 1 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.371 -0.582 18171
170 1 . 1 1 30 30 CYS H H 30 8.465 8.465 8.086 0.379 18171
171 1 . 1 1 31 31 SER N N 31 114.366 114.366 114.224 0.142 18171
172 1 . 1 1 31 31 SER HA H 31 4.174 4.174 4.198 -0.024 18171
173 1 . 1 1 31 31 SER C C 31 175.371 175.371 176.100 -0.729 18171
174 1 . 1 1 31 31 SER CA C 31 60.932 60.932 61.070 -0.138 18171
175 1 . 1 1 31 31 SER CB C 31 62.749 62.749 62.998 -0.249 18171
176 1 . 1 1 31 31 SER H H 31 7.859 7.859 7.722 0.137 18171
177 1 . 1 1 32 32 GLU N N 32 119.996 119.996 120.396 -0.400 18171
178 1 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.232 -0.028 18171
179 1 . 1 1 32 32 GLU C C 32 176.983 176.983 176.657 0.326 18171
180 1 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.174 -0.202 18171
181 1 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.447 -0.370 18171
182 1 . 1 1 32 32 GLU H H 32 7.254 7.254 8.067 -0.813 18171
183 1 . 1 1 33 33 ASN N N 33 113.026 113.026 112.278 0.749 18171
184 1 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.911 0.062 18171
185 1 . 1 1 33 33 ASN C C 33 173.504 173.504 173.083 0.421 18171
186 1 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.212 -1.476 18171
187 1 . 1 1 33 33 ASN CB C 33 39.485 39.485 38.169 1.316 18171
188 1 . 1 1 33 33 ASN H H 33 7.370 7.370 7.644 -0.274 18171
189 1 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.309 0.265 18171
190 1 . 1 1 34 34 PRO C C 34 178.270 178.270 177.438 0.832 18171
191 1 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.968 -0.141 18171
192 1 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.905 -0.151 18171
193 1 . 1 1 35 35 MET N N 35 115.258 115.258 114.322 0.936 18171
194 1 . 1 1 35 35 MET HA H 35 4.330 4.330 4.252 0.078 18171
195 1 . 1 1 35 35 MET C C 35 178.569 178.569 177.000 1.569 18171
196 1 . 1 1 35 35 MET CA C 35 57.050 57.050 57.023 0.027 18171
197 1 . 1 1 35 35 MET CB C 35 31.300 31.300 31.279 0.021 18171
198 1 . 1 1 35 35 MET H H 35 7.962 7.962 7.975 -0.013 18171
199 1 . 1 1 36 36 ASN N N 36 117.357 117.357 118.680 -1.323 18171
200 1 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.541 0.032 18171
201 1 . 1 1 36 36 ASN C C 36 176.470 176.470 177.386 -0.915 18171
202 1 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.787 -0.661 18171
203 1 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.914 0.528 18171
204 1 . 1 1 36 36 ASN H H 36 8.462 8.462 8.271 0.191 18171
205 1 . 1 1 37 37 ILE N N 37 121.622 121.622 121.974 -0.352 18171
206 1 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.836 0.274 18171
207 1 . 1 1 37 37 ILE C C 37 177.331 177.331 176.805 0.526 18171
208 1 . 1 1 37 37 ILE CA C 37 62.588 62.588 62.839 -0.251 18171
209 1 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.908 0.107 18171
210 1 . 1 1 37 37 ILE H H 37 7.820 7.820 7.457 0.363 18171
211 1 . 1 1 38 38 MET N N 38 118.071 118.071 116.735 1.336 18171
212 1 . 1 1 38 38 MET HA H 38 4.174 4.174 4.160 0.014 18171
213 1 . 1 1 38 38 MET C C 38 178.456 178.456 176.942 1.514 18171
214 1 . 1 1 38 38 MET CA C 38 57.563 57.563 57.202 0.361 18171
215 1 . 1 1 38 38 MET CB C 38 31.533 31.533 31.442 0.091 18171
216 1 . 1 1 38 38 MET H H 38 7.479 7.479 7.602 -0.123 18171
217 1 . 1 1 39 39 LYS N N 39 117.427 117.427 117.840 -0.413 18171
218 1 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.179 -0.232 18171
219 1 . 1 1 39 39 LYS C C 39 177.456 177.456 178.219 -0.763 18171
220 1 . 1 1 39 39 LYS CA C 39 58.012 58.012 57.543 0.469 18171
221 1 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.661 -1.888 18171
222 1 . 1 1 39 39 LYS H H 39 7.580 7.580 7.705 -0.125 18171
223 1 . 1 1 40 40 TYR N N 40 116.049 116.049 119.203 -3.154 18171
224 1 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.454 0.076 18171
225 1 . 1 1 40 40 TYR C C 40 175.635 175.635 177.938 -2.303 18171
226 1 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.726 -0.328 18171
227 1 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.927 2.562 18171
228 1 . 1 1 40 40 TYR H H 40 7.651 7.651 7.522 0.129 18171
229 1 . 1 1 41 41 GLN N N 41 116.626 116.626 119.547 -2.921 18171
230 1 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.983 0.350 18171
231 1 . 1 1 41 41 GLN C C 41 175.887 175.887 176.639 -0.752 18171
232 1 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.559 0.027 18171
233 1 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.763 1.284 18171
234 1 . 1 1 41 41 GLN H H 41 7.001 7.001 7.788 -0.787 18171
235 1 . 1 1 42 42 ASN N N 42 114.491 114.491 114.913 -0.422 18171
236 1 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.661 0.201 18171
237 1 . 1 1 42 42 ASN C C 42 173.784 173.784 175.264 -1.480 18171
238 1 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.712 -1.180 18171
239 1 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.108 -0.520 18171
240 1 . 1 1 42 42 ASN H H 42 8.281 8.281 7.594 0.687 18171
241 1 . 1 1 43 43 ASP N N 43 122.981 122.981 122.088 0.893 18171
242 1 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.712 0.042 18171
243 1 . 1 1 43 43 ASP C C 43 174.773 174.773 176.293 -1.520 18171
244 1 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.283 -0.676 18171
245 1 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.752 0.617 18171
246 1 . 1 1 43 43 ASP H H 43 7.960 7.960 8.069 -0.109 18171
247 1 . 1 1 44 44 LYS N N 44 125.893 125.893 126.969 -1.076 18171
248 1 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.905 -0.045 18171
249 1 . 1 1 44 44 LYS C C 44 177.796 177.796 178.331 -0.535 18171
250 1 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.514 0.282 18171
251 1 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.498 0.038 18171
252 1 . 1 1 44 44 LYS H H 44 8.361 8.361 8.056 0.306 18171
253 1 . 1 1 45 45 GLU N N 45 116.698 116.698 118.808 -2.110 18171
254 1 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.126 -0.059 18171
255 1 . 1 1 45 45 GLU C C 45 178.724 178.724 178.773 -0.049 18171
256 1 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.392 0.063 18171
257 1 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.359 0.398 18171
258 1 . 1 1 45 45 GLU H H 45 8.127 8.127 7.974 0.153 18171
259 1 . 1 1 46 46 VAL N N 46 117.476 117.476 119.770 -2.294 18171
260 1 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.727 -0.313 18171
261 1 . 1 1 46 46 VAL C C 46 177.879 177.879 178.157 -0.278 18171
262 1 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.094 0.336 18171
263 1 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.385 0.643 18171
264 1 . 1 1 46 46 VAL H H 46 7.452 7.452 7.697 -0.245 18171
265 1 . 1 1 47 47 MET N N 47 117.027 117.027 119.735 -2.708 18171
266 1 . 1 1 47 47 MET HA H 47 4.479 4.479 4.110 0.369 18171
267 1 . 1 1 47 47 MET C C 47 179.307 179.307 178.385 0.922 18171
268 1 . 1 1 47 47 MET CA C 47 56.809 56.809 59.356 -2.547 18171
269 1 . 1 1 47 47 MET CB C 47 30.371 30.371 31.765 -1.394 18171
270 1 . 1 1 47 47 MET H H 47 8.542 8.542 8.301 0.241 18171
271 1 . 1 1 48 48 ASP N N 48 119.811 119.811 120.127 -0.316 18171
272 1 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.426 0.066 18171
273 1 . 1 1 48 48 ASP C C 48 179.136 179.136 179.121 0.015 18171
274 1 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.742 -0.171 18171
275 1 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.683 -0.230 18171
276 1 . 1 1 48 48 ASP H H 48 8.580 8.580 8.037 0.543 18171
277 1 . 1 1 49 49 VAL N N 49 118.816 118.816 120.057 -1.241 18171
278 1 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.759 -0.121 18171
279 1 . 1 1 49 49 VAL C C 49 177.777 177.777 177.633 0.144 18171
280 1 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.228 0.229 18171
281 1 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.930 -0.864 18171
282 1 . 1 1 49 49 VAL H H 49 7.319 7.319 7.550 -0.231 18171
283 1 . 1 1 50 50 PHE N N 50 120.305 120.305 119.461 0.844 18171
284 1 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.203 -0.067 18171
285 1 . 1 1 50 50 PHE C C 50 178.505 178.505 177.908 0.597 18171
286 1 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.178 -0.638 18171
287 1 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.766 -0.457 18171
288 1 . 1 1 50 50 PHE H H 50 8.529 8.529 9.094 -0.565 18171
289 1 . 1 1 51 51 ASN N N 51 117.888 117.888 117.402 0.486 18171
290 1 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.533 -0.118 18171
291 1 . 1 1 51 51 ASN C C 51 177.863 177.863 177.105 0.758 18171
292 1 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.901 0.267 18171
293 1 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.547 -0.238 18171
294 1 . 1 1 51 51 ASN H H 51 8.886 8.886 8.645 0.241 18171
295 1 . 1 1 52 52 LYS N N 52 120.120 120.120 121.423 -1.303 18171
296 1 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.116 -0.006 18171
297 1 . 1 1 52 52 LYS C C 52 179.002 179.002 178.505 0.497 18171
298 1 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.146 -0.172 18171
299 1 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.431 -0.376 18171
300 1 . 1 1 52 52 LYS H H 52 7.760 7.760 7.272 0.488 18171
301 1 . 1 1 53 53 ILE N N 53 117.988 117.988 119.704 -1.716 18171
302 1 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.435 0.322 18171
303 1 . 1 1 53 53 ILE C C 53 177.686 177.686 177.315 0.371 18171
304 1 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.434 0.607 18171
305 1 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.515 0.152 18171
306 1 . 1 1 53 53 ILE H H 53 8.400 8.400 8.459 -0.059 18171
307 1 . 1 1 54 54 SER N N 54 114.267 114.267 113.132 1.135 18171
308 1 . 1 1 54 54 SER HA H 54 4.050 4.050 4.275 -0.225 18171
309 1 . 1 1 54 54 SER C C 54 175.690 175.690 176.063 -0.373 18171
310 1 . 1 1 54 54 SER CA C 54 61.417 61.417 60.601 0.816 18171
311 1 . 1 1 54 54 SER CB C 54 62.922 62.922 63.370 -0.448 18171
312 1 . 1 1 54 54 SER H H 54 8.042 8.042 7.611 0.431 18171
313 1 . 1 1 55 55 GLN N N 55 118.045 118.045 119.775 -1.730 18171
314 1 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.159 -0.019 18171
315 1 . 1 1 55 55 GLN C C 55 177.193 177.193 177.849 -0.656 18171
316 1 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.951 -0.869 18171
317 1 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.090 -0.370 18171
318 1 . 1 1 55 55 GLN H H 55 7.415 7.415 7.516 -0.101 18171
319 1 . 1 1 56 56 LEU N N 56 118.492 118.492 117.995 0.497 18171
320 1 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.175 -0.142 18171
321 1 . 1 1 56 56 LEU C C 56 176.578 176.578 176.526 0.052 18171
322 1 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.114 -0.209 18171
323 1 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.563 -0.014 18171
324 1 . 1 1 56 56 LEU H H 56 7.732 7.732 7.908 -0.176 18171
325 1 . 1 1 57 57 PHE N N 57 116.774 116.774 115.572 1.202 18171
326 1 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.931 -0.039 18171
327 1 . 1 1 57 57 PHE C C 57 173.125 173.125 174.008 -0.883 18171
328 1 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.902 1.309 18171
329 1 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.242 0.781 18171
330 1 . 1 1 57 57 PHE H H 57 7.629 7.629 7.495 0.134 18171
331 1 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.430 0.050 18171
332 1 . 1 1 58 58 PRO C C 58 178.090 178.090 177.411 0.679 18171
333 1 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.911 0.062 18171
334 1 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.337 -0.411 18171
335 1 . 1 1 59 59 GLY N N 59 108.335 108.335 107.893 0.442 18171
336 1 . 1 1 59 59 GLY C C 59 174.930 174.930 173.843 1.087 18171
337 1 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.157 0.227 18171
338 1 . 1 1 59 59 GLY H H 59 8.411 8.411 8.121 0.290 18171
339 1 . 1 1 60 60 MET N N 60 119.206 119.206 119.339 -0.133 18171
340 1 . 1 1 60 60 MET HA H 60 4.467 4.467 4.325 0.142 18171
341 1 . 1 1 60 60 MET C C 60 176.320 176.320 175.979 0.341 18171
342 1 . 1 1 60 60 MET CA C 60 56.395 56.395 55.898 0.497 18171
343 1 . 1 1 60 60 MET CB C 60 32.964 32.964 31.849 1.115 18171
344 1 . 1 1 60 60 MET H H 60 8.053 8.053 7.941 0.112 18171
345 1 . 1 1 61 61 THR N N 61 111.041 111.041 115.950 -4.909 18171
346 1 . 1 1 61 61 THR HA H 61 4.402 4.402 4.265 0.137 18171
347 1 . 1 1 61 61 THR C C 61 173.976 173.976 175.432 -1.456 18171
348 1 . 1 1 61 61 THR CA C 61 61.233 61.233 62.687 -1.454 18171
349 1 . 1 1 61 61 THR CB C 61 70.120 70.120 69.026 1.094 18171
350 1 . 1 1 61 61 THR H H 61 7.880 7.880 8.171 -0.291 18171
stop_
save_