data_18749
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18749
_Entry.PDB_ID 2LZE
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 18749
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.429 -0.038 18749
2 1 1 . 1 1 4 4 PRO C C 4 176.097 176.097 176.142 -0.045 18749
3 1 1 . 1 1 4 4 PRO CA C 4 62.965 62.965 63.006 -0.041 18749
4 1 1 . 1 1 4 4 PRO CB C 4 31.902 31.902 32.050 -0.147 18749
5 1 1 . 1 1 5 5 VAL N N 5 121.993 121.993 118.448 3.545 18749
6 1 1 . 1 1 5 5 VAL HA H 5 4.341 4.341 4.505 -0.164 18749
7 1 1 . 1 1 5 5 VAL CA C 5 59.763 59.763 58.646 1.117 18749
8 1 1 . 1 1 5 5 VAL CB C 5 32.567 32.567 32.371 0.196 18749
9 1 1 . 1 1 5 5 VAL H H 5 8.149 8.149 8.067 0.082 18749
10 1 1 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.284 -0.028 18749
11 1 1 . 1 1 6 6 PRO C C 6 176.167 176.167 176.688 -0.521 18749
12 1 1 . 1 1 6 6 PRO CA C 6 63.138 63.138 64.356 -1.218 18749
13 1 1 . 1 1 6 6 PRO CB C 6 31.877 31.877 32.046 -0.169 18749
14 1 1 . 1 1 7 7 TYR N N 7 121.107 121.107 120.043 1.064 18749
15 1 1 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.440 0.003 18749
16 1 1 . 1 1 7 7 TYR CA C 7 55.602 55.602 55.721 -0.119 18749
17 1 1 . 1 1 7 7 TYR CB C 7 38.212 38.212 37.833 0.379 18749
18 1 1 . 1 1 7 7 TYR H H 7 7.945 7.945 7.940 0.005 18749
19 1 1 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.415 -0.127 18749
20 1 1 . 1 1 8 8 PRO C C 8 176.122 176.122 176.045 0.077 18749
21 1 1 . 1 1 8 8 PRO CA C 8 62.983 62.983 62.615 0.368 18749
22 1 1 . 1 1 8 8 PRO CB C 8 31.913 31.913 32.541 -0.628 18749
23 1 1 . 1 1 9 9 ASP N N 9 122.332 122.332 119.153 3.179 18749
24 1 1 . 1 1 9 9 ASP HA H 9 4.466 4.466 4.726 -0.260 18749
25 1 1 . 1 1 9 9 ASP CA C 9 52.317 52.317 53.100 -0.783 18749
26 1 1 . 1 1 9 9 ASP CB C 9 41.371 41.371 40.609 0.762 18749
27 1 1 . 1 1 9 9 ASP H H 9 8.204 8.204 8.487 -0.283 18749
28 1 1 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.345 -0.036 18749
29 1 1 . 1 1 10 10 PRO C C 10 177.003 177.003 177.160 -0.157 18749
30 1 1 . 1 1 10 10 PRO CA C 10 63.635 63.635 64.520 -0.885 18749
31 1 1 . 1 1 10 10 PRO CB C 10 32.207 32.207 31.854 0.353 18749
32 1 1 . 1 1 11 11 LEU N N 11 120.566 120.566 116.313 4.253 18749
33 1 1 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.176 0.045 18749
34 1 1 . 1 1 11 11 LEU C C 11 177.277 177.277 176.576 0.701 18749
35 1 1 . 1 1 11 11 LEU CA C 11 54.938 54.938 55.373 -0.435 18749
36 1 1 . 1 1 11 11 LEU CB C 11 41.908 41.908 41.889 0.019 18749
37 1 1 . 1 1 11 11 LEU H H 11 8.295 8.295 7.607 0.688 18749
38 1 1 . 1 1 12 12 GLU N N 12 122.415 122.415 115.778 6.637 18749
39 1 1 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.028 0.356 18749
40 1 1 . 1 1 12 12 GLU CA C 12 54.384 54.384 55.487 -1.103 18749
41 1 1 . 1 1 12 12 GLU CB C 12 29.988 29.988 27.556 2.432 18749
42 1 1 . 1 1 12 12 GLU H H 12 7.857 7.857 7.883 -0.026 18749
43 1 1 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.375 -0.126 18749
44 1 1 . 1 1 13 13 PRO C C 13 177.132 177.132 177.380 -0.248 18749
45 1 1 . 1 1 13 13 PRO CA C 13 63.458 63.458 62.975 0.483 18749
46 1 1 . 1 1 13 13 PRO CB C 13 31.862 31.862 32.144 -0.282 18749
47 1 1 . 1 1 14 14 ARG N N 14 121.214 121.214 122.874 -1.660 18749
48 1 1 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.173 -0.015 18749
49 1 1 . 1 1 14 14 ARG CA C 14 56.162 56.162 57.145 -0.983 18749
50 1 1 . 1 1 14 14 ARG CB C 14 30.632 30.632 30.243 0.389 18749
51 1 1 . 1 1 14 14 ARG H H 14 8.337 8.337 8.535 -0.198 18749
52 1 1 . 1 1 15 15 GLY N N 15 109.686 109.686 106.640 3.046 18749
53 1 1 . 1 1 15 15 GLY C C 15 174.130 174.130 173.438 0.692 18749
54 1 1 . 1 1 15 15 GLY CA C 15 45.312 45.312 44.663 0.649 18749
55 1 1 . 1 1 15 15 GLY H H 15 8.280 8.280 7.685 0.595 18749
56 1 1 . 1 1 16 16 GLY N N 16 108.011 108.011 106.846 1.165 18749
57 1 1 . 1 1 16 16 GLY C C 16 172.056 172.056 173.211 -1.155 18749
58 1 1 . 1 1 16 16 GLY CA C 16 44.895 44.895 45.521 -0.626 18749
59 1 1 . 1 1 16 16 GLY H H 16 7.764 7.764 7.978 -0.214 18749
60 1 1 . 1 1 17 17 LYS N N 17 117.049 117.049 121.976 -4.927 18749
61 1 1 . 1 1 17 17 LYS HA H 17 4.135 4.135 4.024 0.111 18749
62 1 1 . 1 1 17 17 LYS C C 17 175.259 175.259 177.552 -2.293 18749
63 1 1 . 1 1 17 17 LYS CA C 17 53.914 53.914 59.305 -5.391 18749
64 1 1 . 1 1 17 17 LYS CB C 17 35.219 35.219 32.766 2.454 18749
65 1 1 . 1 1 17 17 LYS H H 17 7.347 7.347 8.893 -1.546 18749
66 1 1 . 1 1 18 18 HIS N N 18 120.426 120.426 117.738 2.688 18749
67 1 1 . 1 1 18 18 HIS C C 18 175.419 175.419 175.691 -0.272 18749
68 1 1 . 1 1 18 18 HIS CA C 18 57.086 57.086 57.865 -0.780 18749
69 1 1 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.303 0.189 18749
70 1 1 . 1 1 19 19 ILE N N 19 126.193 126.193 119.267 6.926 18749
71 1 1 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.175 0.279 18749
72 1 1 . 1 1 19 19 ILE C C 19 175.138 175.138 174.399 0.739 18749
73 1 1 . 1 1 19 19 ILE CA C 19 59.189 59.189 59.871 -0.682 18749
74 1 1 . 1 1 19 19 ILE CB C 19 41.816 41.816 39.011 2.805 18749
75 1 1 . 1 1 19 19 ILE H H 19 8.180 8.180 7.630 0.550 18749
76 1 1 . 1 1 20 20 CYS N N 20 127.805 127.805 128.376 -0.571 18749
77 1 1 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.429 0.486 18749
78 1 1 . 1 1 20 20 CYS C C 20 174.996 174.996 176.198 -1.202 18749
79 1 1 . 1 1 20 20 CYS CA C 20 57.370 57.370 59.464 -2.094 18749
80 1 1 . 1 1 20 20 CYS CB C 20 32.008 32.008 27.384 4.624 18749
81 1 1 . 1 1 20 20 CYS H H 20 8.382 8.382 8.980 -0.598 18749
82 1 1 . 1 1 21 21 ALA N N 21 135.406 135.406 131.329 4.077 18749
83 1 1 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.238 -0.076 18749
84 1 1 . 1 1 21 21 ALA C C 21 177.885 177.885 177.776 0.109 18749
85 1 1 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.326 0.166 18749
86 1 1 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.600 1.025 18749
87 1 1 . 1 1 21 21 ALA H H 21 8.742 8.742 8.977 -0.235 18749
88 1 1 . 1 1 22 22 ILE N N 22 119.063 119.063 119.400 -0.337 18749
89 1 1 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.024 -0.163 18749
90 1 1 . 1 1 22 22 ILE C C 22 176.914 176.914 177.476 -0.562 18749
91 1 1 . 1 1 22 22 ILE CA C 22 63.218 63.218 63.043 0.175 18749
92 1 1 . 1 1 22 22 ILE CB C 22 37.371 37.371 38.821 -1.450 18749
93 1 1 . 1 1 22 22 ILE H H 22 8.150 8.150 7.615 0.535 18749
94 1 1 . 1 1 23 23 CYS N N 23 114.362 114.362 115.747 -1.385 18749
95 1 1 . 1 1 23 23 CYS C C 23 176.216 176.216 176.095 0.121 18749
96 1 1 . 1 1 23 23 CYS CA C 23 57.878 57.878 57.486 0.392 18749
97 1 1 . 1 1 23 23 CYS CB C 23 30.456 30.456 28.790 1.666 18749
98 1 1 . 1 1 23 23 CYS H H 23 7.238 7.238 8.444 -1.206 18749
99 1 1 . 1 1 24 24 GLY N N 24 111.898 111.898 111.220 0.678 18749
100 1 1 . 1 1 24 24 GLY C C 24 173.367 173.367 173.762 -0.395 18749
101 1 1 . 1 1 24 24 GLY CA C 24 46.222 46.222 45.698 0.524 18749
102 1 1 . 1 1 24 24 GLY H H 24 7.566 7.566 8.146 -0.580 18749
103 1 1 . 1 1 25 25 ASN N N 25 117.684 117.684 116.492 1.192 18749
104 1 1 . 1 1 25 25 ASN HA H 25 4.763 4.763 4.880 -0.117 18749
105 1 1 . 1 1 25 25 ASN C C 25 174.631 174.631 174.508 0.123 18749
106 1 1 . 1 1 25 25 ASN CA C 25 51.901 51.901 53.600 -1.699 18749
107 1 1 . 1 1 25 25 ASN CB C 25 40.666 40.666 40.242 0.424 18749
108 1 1 . 1 1 25 25 ASN H H 25 7.781 7.781 8.102 -0.321 18749
109 1 1 . 1 1 26 26 ASN N N 26 118.294 118.294 118.013 0.281 18749
110 1 1 . 1 1 26 26 ASN HA H 26 4.570 4.570 4.843 -0.273 18749
111 1 1 . 1 1 26 26 ASN C C 26 175.502 175.502 174.828 0.674 18749
112 1 1 . 1 1 26 26 ASN CA C 26 53.980 53.980 53.493 0.487 18749
113 1 1 . 1 1 26 26 ASN CB C 26 38.066 38.066 39.159 -1.093 18749
114 1 1 . 1 1 26 26 ASN H H 26 8.562 8.562 7.870 0.692 18749
115 1 1 . 1 1 27 27 ALA N N 27 126.538 126.538 123.145 3.393 18749
116 1 1 . 1 1 27 27 ALA C C 27 177.920 177.920 178.669 -0.749 18749
117 1 1 . 1 1 27 27 ALA CA C 27 53.567 53.567 54.554 -0.987 18749
118 1 1 . 1 1 27 27 ALA CB C 27 18.852 18.852 18.601 0.251 18749
119 1 1 . 1 1 27 27 ALA H H 27 8.217 8.217 8.101 0.116 18749
120 1 1 . 1 1 28 28 GLU N N 28 112.911 112.911 117.966 -5.055 18749
121 1 1 . 1 1 28 28 GLU HA H 28 4.099 4.099 4.028 0.071 18749
122 1 1 . 1 1 28 28 GLU C C 28 177.423 177.423 176.973 0.450 18749
123 1 1 . 1 1 28 28 GLU CA C 28 57.783 57.783 57.989 -0.206 18749
124 1 1 . 1 1 28 28 GLU CB C 28 30.926 30.926 29.603 1.323 18749
125 1 1 . 1 1 28 28 GLU H H 28 8.608 8.608 8.827 -0.219 18749
126 1 1 . 1 1 29 29 ASP N N 29 116.209 116.209 119.697 -3.488 18749
127 1 1 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.466 -0.032 18749
128 1 1 . 1 1 29 29 ASP C C 29 174.486 174.486 175.100 -0.614 18749
129 1 1 . 1 1 29 29 ASP CA C 29 55.349 55.349 53.915 1.434 18749
130 1 1 . 1 1 29 29 ASP CB C 29 42.596 42.596 41.635 0.961 18749
131 1 1 . 1 1 29 29 ASP H H 29 7.272 7.272 8.196 -0.924 18749
132 1 1 . 1 1 30 30 TYR N N 30 116.344 116.344 116.792 -0.448 18749
133 1 1 . 1 1 30 30 TYR CA C 30 57.018 57.018 57.318 -0.300 18749
134 1 1 . 1 1 30 30 TYR CB C 30 43.459 43.459 40.879 2.580 18749
135 1 1 . 1 1 30 30 TYR H H 30 7.281 7.281 8.349 -1.068 18749
136 1 1 . 1 1 31 31 LYS C C 31 177.018 177.018 175.762 1.256 18749
137 1 1 . 1 1 32 32 HIS N N 32 116.170 116.170 120.749 -4.579 18749
138 1 1 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.750 -0.948 18749
139 1 1 . 1 1 32 32 HIS C C 32 173.979 173.979 176.455 -2.476 18749
140 1 1 . 1 1 32 32 HIS CA C 32 55.136 55.136 58.680 -3.544 18749
141 1 1 . 1 1 32 32 HIS CB C 32 33.128 33.128 31.780 1.348 18749
142 1 1 . 1 1 32 32 HIS H H 32 7.691 7.691 8.539 -0.848 18749
143 1 1 . 1 1 33 33 THR N N 33 108.605 108.605 110.974 -2.369 18749
144 1 1 . 1 1 33 33 THR HA H 33 4.424 4.424 4.291 0.133 18749
145 1 1 . 1 1 33 33 THR C C 33 175.107 175.107 175.303 -0.196 18749
146 1 1 . 1 1 33 33 THR CA C 33 60.218 60.218 63.114 -2.896 18749
147 1 1 . 1 1 33 33 THR CB C 33 69.476 69.476 69.049 0.427 18749
148 1 1 . 1 1 33 33 THR H H 33 8.051 8.051 8.260 -0.209 18749
149 1 1 . 1 1 34 34 ASP N N 34 121.404 121.404 121.285 0.119 18749
150 1 1 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.553 0.037 18749
151 1 1 . 1 1 34 34 ASP C C 34 175.334 175.334 177.536 -2.202 18749
152 1 1 . 1 1 34 34 ASP CA C 34 53.564 53.564 56.140 -2.576 18749
153 1 1 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.730 -0.310 18749
154 1 1 . 1 1 34 34 ASP H H 34 7.973 7.973 7.989 -0.016 18749
155 1 1 . 1 1 35 35 MET N N 35 119.898 119.898 116.637 3.261 18749
156 1 1 . 1 1 35 35 MET HA H 35 4.398 4.398 4.384 0.014 18749
157 1 1 . 1 1 35 35 MET C C 35 174.846 174.846 176.458 -1.612 18749
158 1 1 . 1 1 35 35 MET CA C 35 55.631 55.631 56.747 -1.116 18749
159 1 1 . 1 1 35 35 MET CB C 35 33.382 33.382 32.779 0.603 18749
160 1 1 . 1 1 35 35 MET H H 35 7.585 7.585 8.031 -0.446 18749
161 1 1 . 1 1 36 36 ASP N N 36 123.631 123.631 119.156 4.475 18749
162 1 1 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.698 -0.212 18749
163 1 1 . 1 1 36 36 ASP C C 36 176.456 176.456 175.535 0.921 18749
164 1 1 . 1 1 36 36 ASP CA C 36 54.279 54.279 54.196 0.083 18749
165 1 1 . 1 1 36 36 ASP CB C 36 41.156 41.156 41.502 -0.346 18749
166 1 1 . 1 1 36 36 ASP H H 36 8.360 8.360 7.952 0.408 18749
167 1 1 . 1 1 37 37 LEU N N 37 123.812 123.812 122.214 1.598 18749
168 1 1 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.514 -0.211 18749
169 1 1 . 1 1 37 37 LEU C C 37 177.554 177.554 178.555 -1.001 18749
170 1 1 . 1 1 37 37 LEU CA C 37 55.317 55.317 54.923 0.394 18749
171 1 1 . 1 1 37 37 LEU CB C 37 41.945 41.945 42.587 -0.642 18749
172 1 1 . 1 1 37 37 LEU H H 37 8.224 8.224 8.308 -0.084 18749
173 1 1 . 1 1 38 38 THR N N 38 113.723 113.723 116.633 -2.910 18749
174 1 1 . 1 1 38 38 THR HA H 38 4.153 4.153 4.160 -0.007 18749
175 1 1 . 1 1 38 38 THR C C 38 174.786 174.786 175.207 -0.421 18749
176 1 1 . 1 1 38 38 THR CA C 38 62.673 62.673 64.095 -1.422 18749
177 1 1 . 1 1 38 38 THR CB C 38 69.792 69.792 68.756 1.036 18749
178 1 1 . 1 1 38 38 THR H H 38 8.321 8.321 8.672 -0.351 18749
179 1 1 . 1 1 39 39 TYR N N 39 121.098 121.098 122.307 -1.209 18749
180 1 1 . 1 1 39 39 TYR C C 39 175.992 175.992 176.859 -0.867 18749
181 1 1 . 1 1 39 39 TYR CA C 39 58.083 58.083 60.731 -2.648 18749
182 1 1 . 1 1 39 39 TYR CB C 39 38.309 38.309 38.464 -0.155 18749
183 1 1 . 1 1 39 39 TYR H H 39 7.920 7.920 8.030 -0.110 18749
184 1 1 . 1 1 40 40 THR N N 40 113.380 113.380 109.579 3.801 18749
185 1 1 . 1 1 40 40 THR C C 40 174.356 174.356 174.820 -0.464 18749
186 1 1 . 1 1 40 40 THR CA C 40 61.801 61.801 63.916 -2.115 18749
187 1 1 . 1 1 40 40 THR CB C 40 69.965 69.965 69.083 0.882 18749
188 1 1 . 1 1 40 40 THR H H 40 7.885 7.885 7.833 0.052 18749
189 1 1 . 1 1 41 41 ASP N N 41 121.537 121.537 120.281 1.256 18749
190 1 1 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.706 -0.238 18749
191 1 1 . 1 1 41 41 ASP C C 41 176.338 176.338 174.685 1.653 18749
192 1 1 . 1 1 41 41 ASP CA C 41 54.674 54.674 54.131 0.543 18749
193 1 1 . 1 1 41 41 ASP CB C 41 40.996 40.996 42.552 -1.556 18749
194 1 1 . 1 1 41 41 ASP H H 41 8.184 8.184 7.623 0.561 18749
195 1 1 . 1 1 42 42 ARG N N 42 119.745 119.745 123.689 -3.944 18749
196 1 1 . 1 1 42 42 ARG HA H 42 4.171 4.171 4.410 -0.239 18749
197 1 1 . 1 1 42 42 ARG C C 42 175.906 175.906 176.183 -0.277 18749
198 1 1 . 1 1 42 42 ARG CA C 42 56.644 56.644 56.731 -0.087 18749
199 1 1 . 1 1 42 42 ARG CB C 42 30.788 30.788 31.063 -0.275 18749
200 1 1 . 1 1 42 42 ARG H H 42 7.997 7.997 8.359 -0.362 18749
201 1 1 . 1 1 43 43 ASP N N 43 119.314 119.314 122.280 -2.966 18749
202 1 1 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.589 -0.086 18749
203 1 1 . 1 1 43 43 ASP C C 43 175.599 175.599 175.489 0.110 18749
204 1 1 . 1 1 43 43 ASP CA C 43 54.368 54.368 54.449 -0.081 18749
205 1 1 . 1 1 43 43 ASP CB C 43 41.071 41.071 41.677 -0.606 18749
206 1 1 . 1 1 43 43 ASP H H 43 8.181 8.181 8.399 -0.218 18749
207 1 1 . 1 1 44 44 TYR N N 44 120.178 120.178 124.108 -3.930 18749
208 1 1 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.476 -0.152 18749
209 1 1 . 1 1 44 44 TYR C C 44 175.321 175.321 175.543 -0.222 18749
210 1 1 . 1 1 44 44 TYR CA C 44 58.553 58.553 58.662 -0.109 18749
211 1 1 . 1 1 44 44 TYR CB C 44 38.614 38.614 39.200 -0.586 18749
212 1 1 . 1 1 44 44 TYR H H 44 7.806 7.806 8.492 -0.686 18749
213 1 1 . 1 1 45 45 LYS N N 45 123.353 123.353 126.813 -3.460 18749
214 1 1 . 1 1 45 45 LYS CA C 45 55.745 55.745 56.053 -0.308 18749
215 1 1 . 1 1 45 45 LYS CB C 45 33.789 33.789 32.899 0.890 18749
216 1 1 . 1 1 45 45 LYS H H 45 7.731 7.731 7.930 -0.199 18749
217 1 1 . 1 1 47 47 CYS N N 47 125.060 125.060 122.508 2.552 18749
218 1 1 . 1 1 47 47 CYS H H 47 8.811 8.811 8.729 0.082 18749
219 1 1 . 1 1 48 48 GLU C C 48 178.473 178.473 175.190 3.283 18749
220 1 1 . 1 1 49 49 SER N N 49 120.359 120.359 114.904 5.455 18749
221 1 1 . 1 1 49 49 SER C C 49 172.276 172.276 172.785 -0.509 18749
222 1 1 . 1 1 49 49 SER CA C 49 61.125 61.125 58.014 3.111 18749
223 1 1 . 1 1 49 49 SER CB C 49 63.224 63.224 64.989 -1.765 18749
224 1 1 . 1 1 49 49 SER H H 49 8.737 8.737 8.479 0.258 18749
225 1 1 . 1 1 50 50 TYR N N 50 110.556 110.556 123.155 -12.599 18749
226 1 1 . 1 1 50 50 TYR C C 50 175.624 175.624 174.366 1.258 18749
227 1 1 . 1 1 50 50 TYR CA C 50 59.205 59.205 58.622 0.583 18749
228 1 1 . 1 1 50 50 TYR CB C 50 38.197 38.197 39.852 -1.655 18749
229 1 1 . 1 1 50 50 TYR H H 50 6.326 6.326 7.928 -1.602 18749
230 1 1 . 1 1 51 51 HIS N N 51 119.871 119.871 119.147 0.724 18749
231 1 1 . 1 1 51 51 HIS HA H 51 3.757 3.757 3.779 -0.022 18749
232 1 1 . 1 1 51 51 HIS C C 51 176.588 176.588 173.904 2.684 18749
233 1 1 . 1 1 51 51 HIS CA C 51 59.323 59.323 57.181 2.142 18749
234 1 1 . 1 1 51 51 HIS CB C 51 27.514 27.514 29.271 -1.757 18749
235 1 1 . 1 1 51 51 HIS H H 51 5.890 5.890 7.862 -1.972 18749
236 1 1 . 1 1 52 52 LYS N N 52 122.505 122.505 118.452 4.053 18749
237 1 1 . 1 1 52 52 LYS C C 52 178.958 178.958 176.481 2.477 18749
238 1 1 . 1 1 52 52 LYS CA C 52 58.922 58.922 56.758 2.164 18749
239 1 1 . 1 1 52 52 LYS CB C 52 31.291 31.291 30.753 0.538 18749
240 1 1 . 1 1 52 52 LYS H H 52 7.660 7.660 8.112 -0.452 18749
241 1 1 . 1 1 53 53 CYS N N 53 117.268 117.268 119.760 -2.492 18749
242 1 1 . 1 1 53 53 CYS C C 53 179.241 179.241 175.803 3.438 18749
243 1 1 . 1 1 53 53 CYS CA C 53 64.802 64.802 58.739 6.063 18749
244 1 1 . 1 1 53 53 CYS CB C 53 30.906 30.906 28.019 2.887 18749
245 1 1 . 1 1 53 53 CYS H H 53 8.256 8.256 8.563 -0.307 18749
246 1 1 . 1 1 54 54 SER N N 54 111.716 111.716 116.356 -4.640 18749
247 1 1 . 1 1 54 54 SER HA H 54 3.839 3.839 4.232 -0.393 18749
248 1 1 . 1 1 54 54 SER C C 54 175.922 175.922 174.591 1.331 18749
249 1 1 . 1 1 54 54 SER CA C 54 60.263 60.263 60.670 -0.407 18749
250 1 1 . 1 1 54 54 SER CB C 54 64.120 64.120 63.324 0.796 18749
251 1 1 . 1 1 54 54 SER H H 54 7.671 7.671 8.643 -0.972 18749
252 1 1 . 1 1 55 55 ASP N N 55 119.056 119.056 119.627 -0.571 18749
253 1 1 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.722 -0.427 18749
254 1 1 . 1 1 55 55 ASP C C 55 178.101 178.101 175.772 2.329 18749
255 1 1 . 1 1 55 55 ASP CA C 55 57.387 57.387 54.475 2.912 18749
256 1 1 . 1 1 55 55 ASP CB C 55 40.315 40.315 41.756 -1.441 18749
257 1 1 . 1 1 55 55 ASP H H 55 7.438 7.438 8.014 -0.576 18749
258 1 1 . 1 1 56 56 LEU N N 56 118.324 118.324 113.975 4.349 18749
259 1 1 . 1 1 56 56 LEU HA H 56 4.168 4.168 4.654 -0.485 18749
260 1 1 . 1 1 56 56 LEU C C 56 176.250 176.250 175.015 1.235 18749
261 1 1 . 1 1 56 56 LEU CA C 56 55.333 55.333 54.796 0.537 18749
262 1 1 . 1 1 56 56 LEU CB C 56 43.173 43.173 41.998 1.175 18749
263 1 1 . 1 1 56 56 LEU H H 56 7.565 7.565 7.738 -0.173 18749
264 1 1 . 1 1 57 57 CYS N N 57 124.095 124.095 122.081 2.014 18749
265 1 1 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.497 -0.242 18749
266 1 1 . 1 1 57 57 CYS C C 57 177.371 177.371 175.983 1.388 18749
267 1 1 . 1 1 57 57 CYS CA C 57 59.255 59.255 59.377 -0.122 18749
268 1 1 . 1 1 57 57 CYS CB C 57 30.128 30.128 28.214 1.914 18749
269 1 1 . 1 1 57 57 CYS H H 57 7.265 7.265 7.894 -0.629 18749
270 1 1 . 1 1 58 58 GLN N N 58 131.839 131.839 126.907 4.932 18749
271 1 1 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.046 -0.123 18749
272 1 1 . 1 1 58 58 GLN C C 58 178.435 178.435 177.934 0.501 18749
273 1 1 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.966 0.322 18749
274 1 1 . 1 1 58 58 GLN CB C 58 28.195 28.195 28.792 -0.597 18749
275 1 1 . 1 1 58 58 GLN H H 58 9.451 9.451 8.891 0.560 18749
276 1 1 . 1 1 59 59 TYR N N 59 124.026 124.026 118.725 5.301 18749
277 1 1 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.564 -0.135 18749
278 1 1 . 1 1 59 59 TYR C C 59 178.722 178.722 177.372 1.350 18749
279 1 1 . 1 1 59 59 TYR CA C 59 60.295 60.295 60.872 -0.577 18749
280 1 1 . 1 1 59 59 TYR CB C 59 38.591 38.591 38.142 0.449 18749
281 1 1 . 1 1 59 59 TYR H H 59 8.699 8.699 8.499 0.200 18749
282 1 1 . 1 1 60 60 CYS N N 60 122.268 122.268 117.493 4.775 18749
283 1 1 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.549 -0.232 18749
284 1 1 . 1 1 60 60 CYS C C 60 176.011 176.011 176.714 -0.703 18749
285 1 1 . 1 1 60 60 CYS CA C 60 64.499 64.499 61.191 3.308 18749
286 1 1 . 1 1 60 60 CYS CB C 60 30.203 30.203 25.844 4.359 18749
287 1 1 . 1 1 60 60 CYS H H 60 8.432 8.432 7.999 0.433 18749
288 1 1 . 1 1 61 61 ARG N N 61 116.449 116.449 118.806 -2.357 18749
289 1 1 . 1 1 61 61 ARG HA H 61 3.895 3.895 3.967 -0.072 18749
290 1 1 . 1 1 61 61 ARG C C 61 176.965 176.965 177.716 -0.751 18749
291 1 1 . 1 1 61 61 ARG CA C 61 58.336 58.336 58.819 -0.483 18749
292 1 1 . 1 1 61 61 ARG CB C 61 29.771 29.771 30.049 -0.278 18749
293 1 1 . 1 1 61 61 ARG H H 61 7.265 7.265 7.535 -0.270 18749
294 1 1 . 1 1 62 62 TYR N N 62 117.341 117.341 116.287 1.054 18749
295 1 1 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.484 -0.015 18749
296 1 1 . 1 1 62 62 TYR C C 62 175.562 175.562 176.856 -1.294 18749
297 1 1 . 1 1 62 62 TYR CA C 62 58.566 58.566 60.171 -1.605 18749
298 1 1 . 1 1 62 62 TYR CB C 62 39.182 39.182 39.489 -0.307 18749
299 1 1 . 1 1 62 62 TYR H H 62 7.259 7.259 7.602 -0.343 18749
300 1 1 . 1 1 63 63 GLN N N 63 121.663 121.663 117.169 4.494 18749
301 1 1 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.525 -0.315 18749
302 1 1 . 1 1 63 63 GLN C C 63 173.076 173.076 175.047 -1.971 18749
303 1 1 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.675 -0.183 18749
304 1 1 . 1 1 63 63 GLN CB C 63 29.401 29.401 31.889 -2.488 18749
305 1 1 . 1 1 63 63 GLN H H 63 7.856 7.856 7.783 0.073 18749
306 1 1 . 1 1 64 64 LYS N N 64 127.668 127.668 124.920 2.748 18749
307 1 1 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.111 0.190 18749
308 1 1 . 1 1 64 64 LYS C C 64 177.301 177.301 176.146 1.155 18749
309 1 1 . 1 1 64 64 LYS CA C 64 58.182 58.182 57.141 1.041 18749
310 1 1 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.306 0.208 18749
311 1 1 . 1 1 64 64 LYS H H 64 8.204 8.204 8.524 -0.320 18749
312 1 1 . 1 1 65 65 ASP N N 65 131.040 131.040 124.336 6.704 18749
313 1 1 . 1 1 65 65 ASP C C 65 174.529 174.529 177.066 -2.537 18749
314 1 1 . 1 1 65 65 ASP CA C 65 53.232 53.232 53.776 -0.544 18749
315 1 1 . 1 1 65 65 ASP CB C 65 41.222 41.222 40.557 0.665 18749
316 1 1 . 1 1 65 65 ASP H H 65 8.677 8.677 8.421 0.256 18749
317 1 1 . 1 1 66 66 LEU N N 66 125.688 125.688 121.389 4.299 18749
318 1 1 . 1 1 66 66 LEU HA H 66 4.088 4.088 4.053 0.035 18749
319 1 1 . 1 1 66 66 LEU C C 66 178.676 178.676 178.113 0.563 18749
320 1 1 . 1 1 66 66 LEU CA C 66 57.836 57.836 56.119 1.717 18749
321 1 1 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.611 1.585 18749
322 1 1 . 1 1 66 66 LEU H H 66 8.733 8.733 7.900 0.833 18749
323 1 1 . 1 1 67 67 ALA N N 67 119.916 119.916 122.197 -2.281 18749
324 1 1 . 1 1 67 67 ALA C C 67 180.513 180.513 178.508 2.005 18749
325 1 1 . 1 1 67 67 ALA CA C 67 55.151 55.151 54.327 0.824 18749
326 1 1 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.710 -0.592 18749
327 1 1 . 1 1 67 67 ALA H H 67 8.076 8.076 8.035 0.041 18749
328 1 1 . 1 1 68 68 ILE N N 68 119.735 119.735 115.175 4.560 18749
329 1 1 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.653 0.006 18749
330 1 1 . 1 1 68 68 ILE C C 68 177.647 177.647 177.226 0.421 18749
331 1 1 . 1 1 68 68 ILE CA C 68 63.267 63.267 64.394 -1.127 18749
332 1 1 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.457 -0.119 18749
333 1 1 . 1 1 68 68 ILE H H 68 7.342 7.342 7.272 0.070 18749
334 1 1 . 1 1 69 69 HIS N N 69 119.542 119.542 120.614 -1.072 18749
335 1 1 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.163 0.140 18749
336 1 1 . 1 1 69 69 HIS CA C 69 59.224 59.224 58.579 0.645 18749
337 1 1 . 1 1 69 69 HIS CB C 69 28.569 28.569 30.072 -1.503 18749
338 1 1 . 1 1 69 69 HIS H H 69 6.608 6.608 8.259 -1.651 18749
339 1 1 . 1 1 84 84 GLY C C 84 174.391 174.391 174.447 -0.056 18749
340 1 1 . 1 1 84 84 GLY CA C 84 45.472 45.472 45.801 -0.329 18749
341 1 1 . 1 1 85 85 THR N N 85 112.734 112.734 112.865 -0.131 18749
342 1 1 . 1 1 85 85 THR C C 85 175.056 175.056 176.083 -1.027 18749
343 1 1 . 1 1 85 85 THR CA C 85 61.980 61.980 61.009 0.971 18749
344 1 1 . 1 1 85 85 THR CB C 85 69.868 69.868 69.939 -0.071 18749
345 1 1 . 1 1 85 85 THR H H 85 8.012 8.012 7.519 0.493 18749
346 1 1 . 1 1 86 86 GLY N N 86 111.173 111.173 109.346 1.827 18749
347 1 1 . 1 1 86 86 GLY C C 86 172.909 172.909 173.903 -0.994 18749
348 1 1 . 1 1 86 86 GLY CA C 86 45.268 45.268 46.018 -0.750 18749
349 1 1 . 1 1 86 86 GLY H H 86 8.276 8.276 8.828 -0.552 18749
350 1 2 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.617 -0.226 18749
351 1 2 . 1 1 4 4 PRO C C 4 176.097 176.097 176.132 -0.035 18749
352 1 2 . 1 1 4 4 PRO CA C 4 62.965 62.965 63.362 -0.397 18749
353 1 2 . 1 1 4 4 PRO CB C 4 31.902 31.902 32.649 -0.747 18749
354 1 2 . 1 1 5 5 VAL N N 5 121.993 121.993 122.377 -0.384 18749
355 1 2 . 1 1 5 5 VAL HA H 5 4.341 4.341 4.270 0.071 18749
356 1 2 . 1 1 5 5 VAL CA C 5 59.763 59.763 60.991 -1.228 18749
357 1 2 . 1 1 5 5 VAL CB C 5 32.567 32.567 31.602 0.965 18749
358 1 2 . 1 1 5 5 VAL H H 5 8.149 8.149 8.599 -0.450 18749
359 1 2 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.605 -0.349 18749
360 1 2 . 1 1 6 6 PRO C C 6 176.167 176.167 175.308 0.859 18749
361 1 2 . 1 1 6 6 PRO CA C 6 63.138 63.138 62.680 0.458 18749
362 1 2 . 1 1 6 6 PRO CB C 6 31.877 31.877 32.940 -1.063 18749
363 1 2 . 1 1 7 7 TYR N N 7 121.107 121.107 119.186 1.921 18749
364 1 2 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.730 -0.287 18749
365 1 2 . 1 1 7 7 TYR CA C 7 55.602 55.602 56.331 -0.729 18749
366 1 2 . 1 1 7 7 TYR CB C 7 38.212 38.212 38.497 -0.285 18749
367 1 2 . 1 1 7 7 TYR H H 7 7.945 7.945 8.611 -0.666 18749
368 1 2 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.835 -0.546 18749
369 1 2 . 1 1 8 8 PRO C C 8 176.122 176.122 175.105 1.017 18749
370 1 2 . 1 1 8 8 PRO CA C 8 62.983 62.983 62.625 0.358 18749
371 1 2 . 1 1 8 8 PRO CB C 8 31.913 31.913 33.871 -1.958 18749
372 1 2 . 1 1 9 9 ASP N N 9 122.332 122.332 118.592 3.740 18749
373 1 2 . 1 1 9 9 ASP HA H 9 4.466 4.466 4.630 -0.164 18749
374 1 2 . 1 1 9 9 ASP CA C 9 52.317 52.317 52.809 -0.492 18749
375 1 2 . 1 1 9 9 ASP CB C 9 41.371 41.371 41.472 -0.101 18749
376 1 2 . 1 1 9 9 ASP H H 9 8.204 8.204 8.305 -0.101 18749
377 1 2 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.294 0.015 18749
378 1 2 . 1 1 10 10 PRO C C 10 177.003 177.003 177.520 -0.517 18749
379 1 2 . 1 1 10 10 PRO CA C 10 63.635 63.635 64.299 -0.664 18749
380 1 2 . 1 1 10 10 PRO CB C 10 32.207 32.207 31.867 0.340 18749
381 1 2 . 1 1 11 11 LEU N N 11 120.566 120.566 115.478 5.088 18749
382 1 2 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.145 0.076 18749
383 1 2 . 1 1 11 11 LEU C C 11 177.277 177.277 176.749 0.528 18749
384 1 2 . 1 1 11 11 LEU CA C 11 54.938 54.938 55.482 -0.544 18749
385 1 2 . 1 1 11 11 LEU CB C 11 41.908 41.908 42.188 -0.280 18749
386 1 2 . 1 1 11 11 LEU H H 11 8.295 8.295 7.528 0.767 18749
387 1 2 . 1 1 12 12 GLU N N 12 122.415 122.415 115.676 6.739 18749
388 1 2 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.083 0.301 18749
389 1 2 . 1 1 12 12 GLU CA C 12 54.384 54.384 56.198 -1.814 18749
390 1 2 . 1 1 12 12 GLU CB C 12 29.988 29.988 27.852 2.136 18749
391 1 2 . 1 1 12 12 GLU H H 12 7.857 7.857 7.620 0.237 18749
392 1 2 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.216 0.033 18749
393 1 2 . 1 1 13 13 PRO C C 13 177.132 177.132 177.596 -0.464 18749
394 1 2 . 1 1 13 13 PRO CA C 13 63.458 63.458 65.097 -1.639 18749
395 1 2 . 1 1 13 13 PRO CB C 13 31.862 31.862 31.814 0.049 18749
396 1 2 . 1 1 14 14 ARG N N 14 121.214 121.214 116.780 4.434 18749
397 1 2 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.224 -0.065 18749
398 1 2 . 1 1 14 14 ARG CA C 14 56.162 56.162 56.960 -0.798 18749
399 1 2 . 1 1 14 14 ARG CB C 14 30.632 30.632 30.194 0.438 18749
400 1 2 . 1 1 14 14 ARG H H 14 8.337 8.337 8.158 0.179 18749
401 1 2 . 1 1 15 15 GLY N N 15 109.686 109.686 105.981 3.705 18749
402 1 2 . 1 1 15 15 GLY C C 15 174.130 174.130 173.686 0.444 18749
403 1 2 . 1 1 15 15 GLY CA C 15 45.312 45.312 44.922 0.390 18749
404 1 2 . 1 1 15 15 GLY H H 15 8.280 8.280 7.428 0.852 18749
405 1 2 . 1 1 16 16 GLY N N 16 108.011 108.011 109.788 -1.777 18749
406 1 2 . 1 1 16 16 GLY C C 16 172.056 172.056 173.697 -1.641 18749
407 1 2 . 1 1 16 16 GLY CA C 16 44.895 44.895 44.840 0.055 18749
408 1 2 . 1 1 16 16 GLY H H 16 7.764 7.764 7.951 -0.187 18749
409 1 2 . 1 1 17 17 LYS N N 17 117.049 117.049 120.816 -3.767 18749
410 1 2 . 1 1 17 17 LYS HA H 17 4.135 4.135 4.150 -0.015 18749
411 1 2 . 1 1 17 17 LYS C C 17 175.259 175.259 177.667 -2.408 18749
412 1 2 . 1 1 17 17 LYS CA C 17 53.914 53.914 58.093 -4.179 18749
413 1 2 . 1 1 17 17 LYS CB C 17 35.219 35.219 32.481 2.738 18749
414 1 2 . 1 1 17 17 LYS H H 17 7.347 7.347 8.681 -1.333 18749
415 1 2 . 1 1 18 18 HIS N N 18 120.426 120.426 116.835 3.591 18749
416 1 2 . 1 1 18 18 HIS C C 18 175.419 175.419 175.107 0.312 18749
417 1 2 . 1 1 18 18 HIS CA C 18 57.086 57.086 58.330 -1.244 18749
418 1 2 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.226 0.266 18749
419 1 2 . 1 1 19 19 ILE N N 19 126.193 126.193 115.914 10.279 18749
420 1 2 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.508 -0.054 18749
421 1 2 . 1 1 19 19 ILE C C 19 175.138 175.138 174.818 0.320 18749
422 1 2 . 1 1 19 19 ILE CA C 19 59.189 59.189 59.504 -0.315 18749
423 1 2 . 1 1 19 19 ILE CB C 19 41.816 41.816 39.489 2.327 18749
424 1 2 . 1 1 19 19 ILE H H 19 8.180 8.180 7.656 0.524 18749
425 1 2 . 1 1 20 20 CYS N N 20 127.805 127.805 126.442 1.363 18749
426 1 2 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.554 0.361 18749
427 1 2 . 1 1 20 20 CYS C C 20 174.996 174.996 175.659 -0.663 18749
428 1 2 . 1 1 20 20 CYS CA C 20 57.370 57.370 58.622 -1.252 18749
429 1 2 . 1 1 20 20 CYS CB C 20 32.008 32.008 29.158 2.850 18749
430 1 2 . 1 1 20 20 CYS H H 20 8.382 8.382 9.097 -0.715 18749
431 1 2 . 1 1 21 21 ALA N N 21 135.406 135.406 129.427 5.979 18749
432 1 2 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.261 -0.099 18749
433 1 2 . 1 1 21 21 ALA C C 21 177.885 177.885 177.605 0.280 18749
434 1 2 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.383 0.109 18749
435 1 2 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.902 0.723 18749
436 1 2 . 1 1 21 21 ALA H H 21 8.742 8.742 8.810 -0.068 18749
437 1 2 . 1 1 22 22 ILE N N 22 119.063 119.063 116.299 2.764 18749
438 1 2 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.217 -0.356 18749
439 1 2 . 1 1 22 22 ILE C C 22 176.914 176.914 176.949 -0.035 18749
440 1 2 . 1 1 22 22 ILE CA C 22 63.218 63.218 62.566 0.652 18749
441 1 2 . 1 1 22 22 ILE CB C 22 37.371 37.371 39.102 -1.731 18749
442 1 2 . 1 1 22 22 ILE H H 22 8.150 8.150 7.415 0.735 18749
443 1 2 . 1 1 23 23 CYS N N 23 114.362 114.362 118.837 -4.475 18749
444 1 2 . 1 1 23 23 CYS C C 23 176.216 176.216 176.240 -0.024 18749
445 1 2 . 1 1 23 23 CYS CA C 23 57.878 57.878 59.800 -1.921 18749
446 1 2 . 1 1 23 23 CYS CB C 23 30.456 30.456 27.816 2.640 18749
447 1 2 . 1 1 23 23 CYS H H 23 7.238 7.238 8.091 -0.853 18749
448 1 2 . 1 1 24 24 GLY N N 24 111.898 111.898 107.370 4.528 18749
449 1 2 . 1 1 24 24 GLY C C 24 173.367 173.367 174.062 -0.695 18749
450 1 2 . 1 1 24 24 GLY CA C 24 46.222 46.222 46.444 -0.222 18749
451 1 2 . 1 1 24 24 GLY H H 24 7.566 7.566 8.621 -1.055 18749
452 1 2 . 1 1 25 25 ASN N N 25 117.684 117.684 116.230 1.454 18749
453 1 2 . 1 1 25 25 ASN HA H 25 4.763 4.763 5.083 -0.320 18749
454 1 2 . 1 1 25 25 ASN C C 25 174.631 174.631 174.402 0.229 18749
455 1 2 . 1 1 25 25 ASN CA C 25 51.901 51.901 53.256 -1.355 18749
456 1 2 . 1 1 25 25 ASN CB C 25 40.666 40.666 39.925 0.742 18749
457 1 2 . 1 1 25 25 ASN H H 25 7.781 7.781 8.565 -0.784 18749
458 1 2 . 1 1 26 26 ASN N N 26 118.294 118.294 117.750 0.544 18749
459 1 2 . 1 1 26 26 ASN HA H 26 4.570 4.570 4.774 -0.204 18749
460 1 2 . 1 1 26 26 ASN C C 26 175.502 175.502 175.161 0.341 18749
461 1 2 . 1 1 26 26 ASN CA C 26 53.980 53.980 54.360 -0.380 18749
462 1 2 . 1 1 26 26 ASN CB C 26 38.066 38.066 38.961 -0.895 18749
463 1 2 . 1 1 26 26 ASN H H 26 8.562 8.562 8.486 0.076 18749
464 1 2 . 1 1 27 27 ALA N N 27 126.538 126.538 122.264 4.274 18749
465 1 2 . 1 1 27 27 ALA C C 27 177.920 177.920 175.363 2.557 18749
466 1 2 . 1 1 27 27 ALA CA C 27 53.567 53.567 52.356 1.211 18749
467 1 2 . 1 1 27 27 ALA CB C 27 18.852 18.852 17.015 1.837 18749
468 1 2 . 1 1 27 27 ALA H H 27 8.217 8.217 8.266 -0.049 18749
469 1 2 . 1 1 28 28 GLU N N 28 112.911 112.911 120.610 -7.699 18749
470 1 2 . 1 1 28 28 GLU HA H 28 4.099 4.099 4.160 -0.061 18749
471 1 2 . 1 1 28 28 GLU C C 28 177.423 177.423 175.402 2.021 18749
472 1 2 . 1 1 28 28 GLU CA C 28 57.783 57.783 57.097 0.686 18749
473 1 2 . 1 1 28 28 GLU CB C 28 30.926 30.926 30.653 0.273 18749
474 1 2 . 1 1 28 28 GLU H H 28 8.608 8.608 8.196 0.412 18749
475 1 2 . 1 1 29 29 ASP N N 29 116.209 116.209 119.560 -3.351 18749
476 1 2 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.242 0.192 18749
477 1 2 . 1 1 29 29 ASP C C 29 174.486 174.486 175.458 -0.972 18749
478 1 2 . 1 1 29 29 ASP CA C 29 55.349 55.349 54.640 0.709 18749
479 1 2 . 1 1 29 29 ASP CB C 29 42.596 42.596 40.164 2.432 18749
480 1 2 . 1 1 29 29 ASP H H 29 7.272 7.272 8.474 -1.202 18749
481 1 2 . 1 1 30 30 TYR N N 30 116.344 116.344 119.514 -3.170 18749
482 1 2 . 1 1 30 30 TYR CA C 30 57.018 57.018 56.893 0.125 18749
483 1 2 . 1 1 30 30 TYR CB C 30 43.459 43.459 41.363 2.096 18749
484 1 2 . 1 1 30 30 TYR H H 30 7.281 7.281 7.692 -0.411 18749
485 1 2 . 1 1 31 31 LYS C C 31 177.018 177.018 175.899 1.119 18749
486 1 2 . 1 1 32 32 HIS N N 32 116.170 116.170 117.540 -1.370 18749
487 1 2 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.601 -0.799 18749
488 1 2 . 1 1 32 32 HIS C C 32 173.979 173.979 177.150 -3.171 18749
489 1 2 . 1 1 32 32 HIS CA C 32 55.136 55.136 59.214 -4.078 18749
490 1 2 . 1 1 32 32 HIS CB C 32 33.128 33.128 30.576 2.552 18749
491 1 2 . 1 1 32 32 HIS H H 32 7.691 7.691 8.679 -0.988 18749
492 1 2 . 1 1 33 33 THR N N 33 108.605 108.605 110.741 -2.136 18749
493 1 2 . 1 1 33 33 THR HA H 33 4.424 4.424 4.235 0.189 18749
494 1 2 . 1 1 33 33 THR C C 33 175.107 175.107 174.833 0.274 18749
495 1 2 . 1 1 33 33 THR CA C 33 60.218 60.218 62.888 -2.670 18749
496 1 2 . 1 1 33 33 THR CB C 33 69.476 69.476 68.934 0.542 18749
497 1 2 . 1 1 33 33 THR H H 33 8.051 8.051 7.995 0.056 18749
498 1 2 . 1 1 34 34 ASP N N 34 121.404 121.404 120.031 1.373 18749
499 1 2 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.484 0.106 18749
500 1 2 . 1 1 34 34 ASP C C 34 175.334 175.334 177.070 -1.736 18749
501 1 2 . 1 1 34 34 ASP CA C 34 53.564 53.564 56.400 -2.836 18749
502 1 2 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.578 -0.158 18749
503 1 2 . 1 1 34 34 ASP H H 34 7.973 7.973 8.440 -0.467 18749
504 1 2 . 1 1 35 35 MET N N 35 119.898 119.898 116.808 3.090 18749
505 1 2 . 1 1 35 35 MET HA H 35 4.398 4.398 4.243 0.155 18749
506 1 2 . 1 1 35 35 MET C C 35 174.846 174.846 176.502 -1.656 18749
507 1 2 . 1 1 35 35 MET CA C 35 55.631 55.631 57.809 -2.178 18749
508 1 2 . 1 1 35 35 MET CB C 35 33.382 33.382 33.294 0.088 18749
509 1 2 . 1 1 35 35 MET H H 35 7.585 7.585 7.372 0.213 18749
510 1 2 . 1 1 36 36 ASP N N 36 123.631 123.631 118.486 5.145 18749
511 1 2 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.684 -0.198 18749
512 1 2 . 1 1 36 36 ASP C C 36 176.456 176.456 175.702 0.754 18749
513 1 2 . 1 1 36 36 ASP CA C 36 54.279 54.279 54.131 0.148 18749
514 1 2 . 1 1 36 36 ASP CB C 36 41.156 41.156 41.797 -0.641 18749
515 1 2 . 1 1 36 36 ASP H H 36 8.360 8.360 8.207 0.153 18749
516 1 2 . 1 1 37 37 LEU N N 37 123.812 123.812 120.525 3.287 18749
517 1 2 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.427 -0.124 18749
518 1 2 . 1 1 37 37 LEU C C 37 177.554 177.554 177.031 0.523 18749
519 1 2 . 1 1 37 37 LEU CA C 37 55.317 55.317 54.541 0.776 18749
520 1 2 . 1 1 37 37 LEU CB C 37 41.945 41.945 41.142 0.803 18749
521 1 2 . 1 1 37 37 LEU H H 37 8.224 8.224 8.344 -0.120 18749
522 1 2 . 1 1 38 38 THR N N 38 113.723 113.723 112.926 0.797 18749
523 1 2 . 1 1 38 38 THR HA H 38 4.153 4.153 4.150 0.003 18749
524 1 2 . 1 1 38 38 THR C C 38 174.786 174.786 174.043 0.743 18749
525 1 2 . 1 1 38 38 THR CA C 38 62.673 62.673 61.371 1.302 18749
526 1 2 . 1 1 38 38 THR CB C 38 69.792 69.792 69.840 -0.048 18749
527 1 2 . 1 1 38 38 THR H H 38 8.321 8.321 7.287 1.034 18749
528 1 2 . 1 1 39 39 TYR N N 39 121.098 121.098 121.664 -0.566 18749
529 1 2 . 1 1 39 39 TYR C C 39 175.992 175.992 177.319 -1.327 18749
530 1 2 . 1 1 39 39 TYR CA C 39 58.083 58.083 58.474 -0.391 18749
531 1 2 . 1 1 39 39 TYR CB C 39 38.309 38.309 38.872 -0.563 18749
532 1 2 . 1 1 39 39 TYR H H 39 7.920 7.920 8.428 -0.508 18749
533 1 2 . 1 1 40 40 THR N N 40 113.380 113.380 118.061 -4.681 18749
534 1 2 . 1 1 40 40 THR C C 40 174.356 174.356 174.641 -0.285 18749
535 1 2 . 1 1 40 40 THR CA C 40 61.801 61.801 64.697 -2.896 18749
536 1 2 . 1 1 40 40 THR CB C 40 69.965 69.965 69.249 0.716 18749
537 1 2 . 1 1 40 40 THR H H 40 7.885 7.885 8.927 -1.042 18749
538 1 2 . 1 1 41 41 ASP N N 41 121.537 121.537 120.280 1.257 18749
539 1 2 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.708 -0.240 18749
540 1 2 . 1 1 41 41 ASP C C 41 176.338 176.338 176.378 -0.040 18749
541 1 2 . 1 1 41 41 ASP CA C 41 54.674 54.674 53.608 1.066 18749
542 1 2 . 1 1 41 41 ASP CB C 41 40.996 40.996 41.304 -0.308 18749
543 1 2 . 1 1 41 41 ASP H H 41 8.184 8.184 8.366 -0.182 18749
544 1 2 . 1 1 42 42 ARG N N 42 119.745 119.745 124.561 -4.816 18749
545 1 2 . 1 1 42 42 ARG HA H 42 4.171 4.171 4.011 0.160 18749
546 1 2 . 1 1 42 42 ARG C C 42 175.906 175.906 176.680 -0.774 18749
547 1 2 . 1 1 42 42 ARG CA C 42 56.644 56.644 57.554 -0.910 18749
548 1 2 . 1 1 42 42 ARG CB C 42 30.788 30.788 30.453 0.335 18749
549 1 2 . 1 1 42 42 ARG H H 42 7.997 7.997 8.381 -0.384 18749
550 1 2 . 1 1 43 43 ASP N N 43 119.314 119.314 118.667 0.647 18749
551 1 2 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.485 0.018 18749
552 1 2 . 1 1 43 43 ASP C C 43 175.599 175.599 176.602 -1.003 18749
553 1 2 . 1 1 43 43 ASP CA C 43 54.368 54.368 54.306 0.062 18749
554 1 2 . 1 1 43 43 ASP CB C 43 41.071 41.071 41.672 -0.601 18749
555 1 2 . 1 1 43 43 ASP H H 43 8.181 8.181 7.840 0.341 18749
556 1 2 . 1 1 44 44 TYR N N 44 120.178 120.178 124.033 -3.855 18749
557 1 2 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.174 0.150 18749
558 1 2 . 1 1 44 44 TYR C C 44 175.321 175.321 176.664 -1.343 18749
559 1 2 . 1 1 44 44 TYR CA C 44 58.553 58.553 60.350 -1.797 18749
560 1 2 . 1 1 44 44 TYR CB C 44 38.614 38.614 38.617 -0.003 18749
561 1 2 . 1 1 44 44 TYR H H 44 7.806 7.806 8.453 -0.647 18749
562 1 2 . 1 1 45 45 LYS N N 45 123.353 123.353 119.641 3.712 18749
563 1 2 . 1 1 45 45 LYS CA C 45 55.745 55.745 56.176 -0.431 18749
564 1 2 . 1 1 45 45 LYS CB C 45 33.789 33.789 32.790 0.999 18749
565 1 2 . 1 1 45 45 LYS H H 45 7.731 7.731 7.921 -0.190 18749
566 1 2 . 1 1 47 47 CYS N N 47 125.060 125.060 124.191 0.869 18749
567 1 2 . 1 1 47 47 CYS H H 47 8.811 8.811 8.207 0.604 18749
568 1 2 . 1 1 48 48 GLU C C 48 178.473 178.473 176.018 2.455 18749
569 1 2 . 1 1 49 49 SER N N 49 120.359 120.359 120.029 0.330 18749
570 1 2 . 1 1 49 49 SER C C 49 172.276 172.276 173.866 -1.590 18749
571 1 2 . 1 1 49 49 SER CA C 49 61.125 61.125 59.396 1.729 18749
572 1 2 . 1 1 49 49 SER CB C 49 63.224 63.224 63.837 -0.613 18749
573 1 2 . 1 1 49 49 SER H H 49 8.737 8.737 8.590 0.147 18749
574 1 2 . 1 1 50 50 TYR N N 50 110.556 110.556 120.501 -9.945 18749
575 1 2 . 1 1 50 50 TYR C C 50 175.624 175.624 176.887 -1.263 18749
576 1 2 . 1 1 50 50 TYR CA C 50 59.205 59.205 58.539 0.666 18749
577 1 2 . 1 1 50 50 TYR CB C 50 38.197 38.197 39.553 -1.356 18749
578 1 2 . 1 1 50 50 TYR H H 50 6.326 6.326 8.098 -1.772 18749
579 1 2 . 1 1 51 51 HIS N N 51 119.871 119.871 122.728 -2.857 18749
580 1 2 . 1 1 51 51 HIS HA H 51 3.757 3.757 4.381 -0.624 18749
581 1 2 . 1 1 51 51 HIS C C 51 176.588 176.588 175.829 0.759 18749
582 1 2 . 1 1 51 51 HIS CA C 51 59.323 59.323 57.925 1.398 18749
583 1 2 . 1 1 51 51 HIS CB C 51 27.514 27.514 29.974 -2.460 18749
584 1 2 . 1 1 51 51 HIS H H 51 5.890 5.890 8.898 -3.008 18749
585 1 2 . 1 1 52 52 LYS N N 52 122.505 122.505 118.821 3.684 18749
586 1 2 . 1 1 52 52 LYS C C 52 178.958 178.958 176.920 2.038 18749
587 1 2 . 1 1 52 52 LYS CA C 52 58.922 58.922 57.850 1.072 18749
588 1 2 . 1 1 52 52 LYS CB C 52 31.291 31.291 32.232 -0.941 18749
589 1 2 . 1 1 52 52 LYS H H 52 7.660 7.660 8.355 -0.695 18749
590 1 2 . 1 1 53 53 CYS N N 53 117.268 117.268 118.595 -1.327 18749
591 1 2 . 1 1 53 53 CYS C C 53 179.241 179.241 174.425 4.816 18749
592 1 2 . 1 1 53 53 CYS CA C 53 64.802 64.802 60.242 4.560 18749
593 1 2 . 1 1 53 53 CYS CB C 53 30.906 30.906 28.229 2.677 18749
594 1 2 . 1 1 53 53 CYS H H 53 8.256 8.256 7.810 0.446 18749
595 1 2 . 1 1 54 54 SER N N 54 111.716 111.716 120.922 -9.206 18749
596 1 2 . 1 1 54 54 SER HA H 54 3.839 3.839 4.551 -0.712 18749
597 1 2 . 1 1 54 54 SER C C 54 175.922 175.922 173.540 2.382 18749
598 1 2 . 1 1 54 54 SER CA C 54 60.263 60.263 58.162 2.101 18749
599 1 2 . 1 1 54 54 SER CB C 54 64.120 64.120 63.217 0.904 18749
600 1 2 . 1 1 54 54 SER H H 54 7.671 7.671 8.684 -1.013 18749
601 1 2 . 1 1 55 55 ASP N N 55 119.056 119.056 121.083 -2.027 18749
602 1 2 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.618 -0.323 18749
603 1 2 . 1 1 55 55 ASP C C 55 178.101 178.101 175.407 2.694 18749
604 1 2 . 1 1 55 55 ASP CA C 55 57.387 57.387 53.859 3.528 18749
605 1 2 . 1 1 55 55 ASP CB C 55 40.315 40.315 41.760 -1.444 18749
606 1 2 . 1 1 55 55 ASP H H 55 7.438 7.438 8.119 -0.681 18749
607 1 2 . 1 1 56 56 LEU N N 56 118.324 118.324 116.106 2.218 18749
608 1 2 . 1 1 56 56 LEU HA H 56 4.168 4.168 3.825 0.343 18749
609 1 2 . 1 1 56 56 LEU C C 56 176.250 176.250 175.381 0.869 18749
610 1 2 . 1 1 56 56 LEU CA C 56 55.333 55.333 55.468 -0.135 18749
611 1 2 . 1 1 56 56 LEU CB C 56 43.173 43.173 39.450 3.723 18749
612 1 2 . 1 1 56 56 LEU H H 56 7.565 7.565 8.086 -0.521 18749
613 1 2 . 1 1 57 57 CYS N N 57 124.095 124.095 119.623 4.472 18749
614 1 2 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.637 -0.382 18749
615 1 2 . 1 1 57 57 CYS C C 57 177.371 177.371 175.685 1.686 18749
616 1 2 . 1 1 57 57 CYS CA C 57 59.255 59.255 58.062 1.193 18749
617 1 2 . 1 1 57 57 CYS CB C 57 30.128 30.128 27.055 3.073 18749
618 1 2 . 1 1 57 57 CYS H H 57 7.265 7.265 7.773 -0.508 18749
619 1 2 . 1 1 58 58 GLN N N 58 131.839 131.839 127.724 4.115 18749
620 1 2 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.080 -0.157 18749
621 1 2 . 1 1 58 58 GLN C C 58 178.435 178.435 177.521 0.914 18749
622 1 2 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.487 0.801 18749
623 1 2 . 1 1 58 58 GLN CB C 58 28.195 28.195 28.506 -0.311 18749
624 1 2 . 1 1 58 58 GLN H H 58 9.451 9.451 9.072 0.379 18749
625 1 2 . 1 1 59 59 TYR N N 59 124.026 124.026 120.653 3.373 18749
626 1 2 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.549 -0.120 18749
627 1 2 . 1 1 59 59 TYR C C 59 178.722 178.722 176.981 1.741 18749
628 1 2 . 1 1 59 59 TYR CA C 59 60.295 60.295 61.144 -0.849 18749
629 1 2 . 1 1 59 59 TYR CB C 59 38.591 38.591 38.706 -0.115 18749
630 1 2 . 1 1 59 59 TYR H H 59 8.699 8.699 8.186 0.513 18749
631 1 2 . 1 1 60 60 CYS N N 60 122.268 122.268 117.406 4.862 18749
632 1 2 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.680 -0.363 18749
633 1 2 . 1 1 60 60 CYS C C 60 176.011 176.011 176.953 -0.942 18749
634 1 2 . 1 1 60 60 CYS CA C 60 64.499 64.499 61.078 3.421 18749
635 1 2 . 1 1 60 60 CYS CB C 60 30.203 30.203 25.835 4.368 18749
636 1 2 . 1 1 60 60 CYS H H 60 8.432 8.432 7.949 0.483 18749
637 1 2 . 1 1 61 61 ARG N N 61 116.449 116.449 119.327 -2.878 18749
638 1 2 . 1 1 61 61 ARG HA H 61 3.895 3.895 3.834 0.061 18749
639 1 2 . 1 1 61 61 ARG C C 61 176.965 176.965 177.105 -0.140 18749
640 1 2 . 1 1 61 61 ARG CA C 61 58.336 58.336 58.828 -0.492 18749
641 1 2 . 1 1 61 61 ARG CB C 61 29.771 29.771 29.857 -0.086 18749
642 1 2 . 1 1 61 61 ARG H H 61 7.265 7.265 7.598 -0.333 18749
643 1 2 . 1 1 62 62 TYR N N 62 117.341 117.341 115.028 2.313 18749
644 1 2 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.286 0.183 18749
645 1 2 . 1 1 62 62 TYR C C 62 175.562 175.562 176.948 -1.386 18749
646 1 2 . 1 1 62 62 TYR CA C 62 58.566 58.566 59.645 -1.079 18749
647 1 2 . 1 1 62 62 TYR CB C 62 39.182 39.182 39.658 -0.476 18749
648 1 2 . 1 1 62 62 TYR H H 62 7.259 7.259 7.524 -0.265 18749
649 1 2 . 1 1 63 63 GLN N N 63 121.663 121.663 117.678 3.985 18749
650 1 2 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.569 -0.359 18749
651 1 2 . 1 1 63 63 GLN C C 63 173.076 173.076 175.001 -1.925 18749
652 1 2 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.778 -0.286 18749
653 1 2 . 1 1 63 63 GLN CB C 63 29.401 29.401 31.556 -2.155 18749
654 1 2 . 1 1 63 63 GLN H H 63 7.856 7.856 7.896 -0.040 18749
655 1 2 . 1 1 64 64 LYS N N 64 127.668 127.668 125.698 1.970 18749
656 1 2 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.122 0.179 18749
657 1 2 . 1 1 64 64 LYS C C 64 177.301 177.301 176.067 1.234 18749
658 1 2 . 1 1 64 64 LYS CA C 64 58.182 58.182 57.378 0.804 18749
659 1 2 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.522 -0.008 18749
660 1 2 . 1 1 64 64 LYS H H 64 8.204 8.204 8.682 -0.478 18749
661 1 2 . 1 1 65 65 ASP N N 65 131.040 131.040 123.849 7.191 18749
662 1 2 . 1 1 65 65 ASP C C 65 174.529 174.529 176.699 -2.170 18749
663 1 2 . 1 1 65 65 ASP CA C 65 53.232 53.232 53.889 -0.657 18749
664 1 2 . 1 1 65 65 ASP CB C 65 41.222 41.222 40.784 0.438 18749
665 1 2 . 1 1 65 65 ASP H H 65 8.677 8.677 8.410 0.267 18749
666 1 2 . 1 1 66 66 LEU N N 66 125.688 125.688 121.187 4.501 18749
667 1 2 . 1 1 66 66 LEU HA H 66 4.088 4.088 4.081 0.007 18749
668 1 2 . 1 1 66 66 LEU C C 66 178.676 178.676 177.968 0.708 18749
669 1 2 . 1 1 66 66 LEU CA C 66 57.836 57.836 55.801 2.035 18749
670 1 2 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.725 1.471 18749
671 1 2 . 1 1 66 66 LEU H H 66 8.733 8.733 7.997 0.736 18749
672 1 2 . 1 1 67 67 ALA N N 67 119.916 119.916 122.213 -2.297 18749
673 1 2 . 1 1 67 67 ALA C C 67 180.513 180.513 178.393 2.120 18749
674 1 2 . 1 1 67 67 ALA CA C 67 55.151 55.151 54.374 0.777 18749
675 1 2 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.510 -0.392 18749
676 1 2 . 1 1 67 67 ALA H H 67 8.076 8.076 7.940 0.136 18749
677 1 2 . 1 1 68 68 ILE N N 68 119.735 119.735 114.776 4.959 18749
678 1 2 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.676 -0.017 18749
679 1 2 . 1 1 68 68 ILE C C 68 177.647 177.647 177.715 -0.068 18749
680 1 2 . 1 1 68 68 ILE CA C 68 63.267 63.267 63.828 -0.561 18749
681 1 2 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.432 -0.094 18749
682 1 2 . 1 1 68 68 ILE H H 68 7.342 7.342 7.286 0.056 18749
683 1 2 . 1 1 69 69 HIS N N 69 119.542 119.542 119.634 -0.092 18749
684 1 2 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.216 0.087 18749
685 1 2 . 1 1 69 69 HIS CA C 69 59.224 59.224 58.774 0.450 18749
686 1 2 . 1 1 69 69 HIS CB C 69 28.569 28.569 30.933 -2.364 18749
687 1 2 . 1 1 69 69 HIS H H 69 6.608 6.608 8.014 -1.406 18749
688 1 2 . 1 1 84 84 GLY C C 84 174.391 174.391 175.186 -0.795 18749
689 1 2 . 1 1 84 84 GLY CA C 84 45.472 45.472 44.652 0.820 18749
690 1 2 . 1 1 85 85 THR N N 85 112.734 112.734 111.709 1.025 18749
691 1 2 . 1 1 85 85 THR C C 85 175.056 175.056 175.360 -0.304 18749
692 1 2 . 1 1 85 85 THR CA C 85 61.980 61.980 63.599 -1.619 18749
693 1 2 . 1 1 85 85 THR CB C 85 69.868 69.868 69.100 0.768 18749
694 1 2 . 1 1 85 85 THR H H 85 8.012 8.012 8.254 -0.242 18749
695 1 2 . 1 1 86 86 GLY N N 86 111.173 111.173 107.720 3.453 18749
696 1 2 . 1 1 86 86 GLY C C 86 172.909 172.909 173.012 -0.103 18749
697 1 2 . 1 1 86 86 GLY CA C 86 45.268 45.268 44.508 0.760 18749
698 1 2 . 1 1 86 86 GLY H H 86 8.276 8.276 7.355 0.921 18749
699 1 3 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.464 -0.073 18749
700 1 3 . 1 1 4 4 PRO C C 4 176.097 176.097 175.918 0.179 18749
701 1 3 . 1 1 4 4 PRO CA C 4 62.965 62.965 63.033 -0.068 18749
702 1 3 . 1 1 4 4 PRO CB C 4 31.902 31.902 32.414 -0.512 18749
703 1 3 . 1 1 5 5 VAL N N 5 121.993 121.993 122.976 -0.983 18749
704 1 3 . 1 1 5 5 VAL HA H 5 4.341 4.341 4.326 0.015 18749
705 1 3 . 1 1 5 5 VAL CA C 5 59.763 59.763 60.309 -0.546 18749
706 1 3 . 1 1 5 5 VAL CB C 5 32.567 32.567 33.351 -0.784 18749
707 1 3 . 1 1 5 5 VAL H H 5 8.149 8.149 8.144 0.005 18749
708 1 3 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.301 -0.045 18749
709 1 3 . 1 1 6 6 PRO C C 6 176.167 176.167 176.900 -0.733 18749
710 1 3 . 1 1 6 6 PRO CA C 6 63.138 63.138 64.009 -0.871 18749
711 1 3 . 1 1 6 6 PRO CB C 6 31.877 31.877 31.995 -0.118 18749
712 1 3 . 1 1 7 7 TYR N N 7 121.107 121.107 118.311 2.796 18749
713 1 3 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.547 -0.104 18749
714 1 3 . 1 1 7 7 TYR CA C 7 55.602 55.602 56.684 -1.082 18749
715 1 3 . 1 1 7 7 TYR CB C 7 38.212 38.212 38.247 -0.035 18749
716 1 3 . 1 1 7 7 TYR H H 7 7.945 7.945 8.031 -0.086 18749
717 1 3 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.410 -0.122 18749
718 1 3 . 1 1 8 8 PRO C C 8 176.122 176.122 176.014 0.108 18749
719 1 3 . 1 1 8 8 PRO CA C 8 62.983 62.983 64.368 -1.385 18749
720 1 3 . 1 1 8 8 PRO CB C 8 31.913 31.913 32.614 -0.701 18749
721 1 3 . 1 1 9 9 ASP N N 9 122.332 122.332 117.414 4.918 18749
722 1 3 . 1 1 9 9 ASP HA H 9 4.466 4.466 4.828 -0.362 18749
723 1 3 . 1 1 9 9 ASP CA C 9 52.317 52.317 52.539 -0.223 18749
724 1 3 . 1 1 9 9 ASP CB C 9 41.371 41.371 41.653 -0.282 18749
725 1 3 . 1 1 9 9 ASP H H 9 8.204 8.204 8.447 -0.243 18749
726 1 3 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.419 -0.110 18749
727 1 3 . 1 1 10 10 PRO C C 10 177.003 177.003 177.397 -0.394 18749
728 1 3 . 1 1 10 10 PRO CA C 10 63.635 63.635 63.759 -0.124 18749
729 1 3 . 1 1 10 10 PRO CB C 10 32.207 32.207 31.936 0.272 18749
730 1 3 . 1 1 11 11 LEU N N 11 120.566 120.566 118.000 2.566 18749
731 1 3 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.169 0.052 18749
732 1 3 . 1 1 11 11 LEU C C 11 177.277 177.277 176.956 0.321 18749
733 1 3 . 1 1 11 11 LEU CA C 11 54.938 54.938 55.511 -0.574 18749
734 1 3 . 1 1 11 11 LEU CB C 11 41.908 41.908 42.165 -0.257 18749
735 1 3 . 1 1 11 11 LEU H H 11 8.295 8.295 7.555 0.740 18749
736 1 3 . 1 1 12 12 GLU N N 12 122.415 122.415 115.512 6.903 18749
737 1 3 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.129 0.255 18749
738 1 3 . 1 1 12 12 GLU CA C 12 54.384 54.384 56.296 -1.912 18749
739 1 3 . 1 1 12 12 GLU CB C 12 29.988 29.988 28.007 1.981 18749
740 1 3 . 1 1 12 12 GLU H H 12 7.857 7.857 8.020 -0.163 18749
741 1 3 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.454 -0.205 18749
742 1 3 . 1 1 13 13 PRO C C 13 177.132 177.132 176.516 0.616 18749
743 1 3 . 1 1 13 13 PRO CA C 13 63.458 63.458 63.188 0.270 18749
744 1 3 . 1 1 13 13 PRO CB C 13 31.862 31.862 32.009 -0.147 18749
745 1 3 . 1 1 14 14 ARG N N 14 121.214 121.214 121.206 0.008 18749
746 1 3 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.598 -0.439 18749
747 1 3 . 1 1 14 14 ARG CA C 14 56.162 56.162 55.774 0.388 18749
748 1 3 . 1 1 14 14 ARG CB C 14 30.632 30.632 31.741 -1.109 18749
749 1 3 . 1 1 14 14 ARG H H 14 8.337 8.337 8.326 0.011 18749
750 1 3 . 1 1 15 15 GLY N N 15 109.686 109.686 109.054 0.632 18749
751 1 3 . 1 1 15 15 GLY C C 15 174.130 174.130 175.274 -1.144 18749
752 1 3 . 1 1 15 15 GLY CA C 15 45.312 45.312 44.527 0.785 18749
753 1 3 . 1 1 15 15 GLY H H 15 8.280 8.280 8.487 -0.207 18749
754 1 3 . 1 1 16 16 GLY N N 16 108.011 108.011 108.169 -0.158 18749
755 1 3 . 1 1 16 16 GLY C C 16 172.056 172.056 175.699 -3.643 18749
756 1 3 . 1 1 16 16 GLY CA C 16 44.895 44.895 45.855 -0.960 18749
757 1 3 . 1 1 16 16 GLY H H 16 7.764 7.764 8.701 -0.937 18749
758 1 3 . 1 1 17 17 LYS N N 17 117.049 117.049 119.985 -2.936 18749
759 1 3 . 1 1 17 17 LYS HA H 17 4.135 4.135 3.966 0.169 18749
760 1 3 . 1 1 17 17 LYS C C 17 175.259 175.259 177.022 -1.763 18749
761 1 3 . 1 1 17 17 LYS CA C 17 53.914 53.914 58.894 -4.980 18749
762 1 3 . 1 1 17 17 LYS CB C 17 35.219 35.219 32.282 2.938 18749
763 1 3 . 1 1 17 17 LYS H H 17 7.347 7.347 8.259 -0.912 18749
764 1 3 . 1 1 18 18 HIS N N 18 120.426 120.426 114.627 5.799 18749
765 1 3 . 1 1 18 18 HIS C C 18 175.419 175.419 174.920 0.499 18749
766 1 3 . 1 1 18 18 HIS CA C 18 57.086 57.086 57.769 -0.683 18749
767 1 3 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.214 0.278 18749
768 1 3 . 1 1 19 19 ILE N N 19 126.193 126.193 117.165 9.028 18749
769 1 3 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.535 -0.081 18749
770 1 3 . 1 1 19 19 ILE C C 19 175.138 175.138 175.429 -0.291 18749
771 1 3 . 1 1 19 19 ILE CA C 19 59.189 59.189 58.259 0.930 18749
772 1 3 . 1 1 19 19 ILE CB C 19 41.816 41.816 37.391 4.425 18749
773 1 3 . 1 1 19 19 ILE H H 19 8.180 8.180 7.185 0.995 18749
774 1 3 . 1 1 20 20 CYS N N 20 127.805 127.805 126.545 1.260 18749
775 1 3 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.499 0.416 18749
776 1 3 . 1 1 20 20 CYS C C 20 174.996 174.996 175.944 -0.948 18749
777 1 3 . 1 1 20 20 CYS CA C 20 57.370 57.370 58.663 -1.293 18749
778 1 3 . 1 1 20 20 CYS CB C 20 32.008 32.008 29.439 2.569 18749
779 1 3 . 1 1 20 20 CYS H H 20 8.382 8.382 8.821 -0.439 18749
780 1 3 . 1 1 21 21 ALA N N 21 135.406 135.406 129.395 6.011 18749
781 1 3 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.249 -0.087 18749
782 1 3 . 1 1 21 21 ALA C C 21 177.885 177.885 177.648 0.237 18749
783 1 3 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.422 0.070 18749
784 1 3 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.951 0.674 18749
785 1 3 . 1 1 21 21 ALA H H 21 8.742 8.742 8.829 -0.087 18749
786 1 3 . 1 1 22 22 ILE N N 22 119.063 119.063 116.414 2.649 18749
787 1 3 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.147 -0.286 18749
788 1 3 . 1 1 22 22 ILE C C 22 176.914 176.914 177.082 -0.168 18749
789 1 3 . 1 1 22 22 ILE CA C 22 63.218 63.218 62.354 0.864 18749
790 1 3 . 1 1 22 22 ILE CB C 22 37.371 37.371 39.358 -1.987 18749
791 1 3 . 1 1 22 22 ILE H H 22 8.150 8.150 7.483 0.667 18749
792 1 3 . 1 1 23 23 CYS N N 23 114.362 114.362 115.785 -1.423 18749
793 1 3 . 1 1 23 23 CYS C C 23 176.216 176.216 176.032 0.184 18749
794 1 3 . 1 1 23 23 CYS CA C 23 57.878 57.878 58.900 -1.022 18749
795 1 3 . 1 1 23 23 CYS CB C 23 30.456 30.456 26.766 3.690 18749
796 1 3 . 1 1 23 23 CYS H H 23 7.238 7.238 8.211 -0.973 18749
797 1 3 . 1 1 24 24 GLY N N 24 111.898 111.898 106.772 5.126 18749
798 1 3 . 1 1 24 24 GLY C C 24 173.367 173.367 174.001 -0.634 18749
799 1 3 . 1 1 24 24 GLY CA C 24 46.222 46.222 46.499 -0.277 18749
800 1 3 . 1 1 24 24 GLY H H 24 7.566 7.566 8.510 -0.944 18749
801 1 3 . 1 1 25 25 ASN N N 25 117.684 117.684 115.125 2.559 18749
802 1 3 . 1 1 25 25 ASN HA H 25 4.763 4.763 5.147 -0.384 18749
803 1 3 . 1 1 25 25 ASN C C 25 174.631 174.631 174.346 0.285 18749
804 1 3 . 1 1 25 25 ASN CA C 25 51.901 51.901 53.013 -1.111 18749
805 1 3 . 1 1 25 25 ASN CB C 25 40.666 40.666 40.041 0.625 18749
806 1 3 . 1 1 25 25 ASN H H 25 7.781 7.781 8.501 -0.720 18749
807 1 3 . 1 1 26 26 ASN N N 26 118.294 118.294 117.406 0.888 18749
808 1 3 . 1 1 26 26 ASN HA H 26 4.570 4.570 4.737 -0.167 18749
809 1 3 . 1 1 26 26 ASN C C 26 175.502 175.502 175.091 0.411 18749
810 1 3 . 1 1 26 26 ASN CA C 26 53.980 53.980 53.488 0.492 18749
811 1 3 . 1 1 26 26 ASN CB C 26 38.066 38.066 38.289 -0.223 18749
812 1 3 . 1 1 26 26 ASN H H 26 8.562 8.562 8.525 0.037 18749
813 1 3 . 1 1 27 27 ALA N N 27 126.538 126.538 122.740 3.798 18749
814 1 3 . 1 1 27 27 ALA C C 27 177.920 177.920 175.809 2.111 18749
815 1 3 . 1 1 27 27 ALA CA C 27 53.567 53.567 52.322 1.245 18749
816 1 3 . 1 1 27 27 ALA CB C 27 18.852 18.852 16.765 2.087 18749
817 1 3 . 1 1 27 27 ALA H H 27 8.217 8.217 8.380 -0.163 18749
818 1 3 . 1 1 28 28 GLU N N 28 112.911 112.911 116.874 -3.963 18749
819 1 3 . 1 1 28 28 GLU HA H 28 4.099 4.099 4.279 -0.180 18749
820 1 3 . 1 1 28 28 GLU C C 28 177.423 177.423 175.767 1.656 18749
821 1 3 . 1 1 28 28 GLU CA C 28 57.783 57.783 56.459 1.324 18749
822 1 3 . 1 1 28 28 GLU CB C 28 30.926 30.926 30.744 0.182 18749
823 1 3 . 1 1 28 28 GLU H H 28 8.608 8.608 8.323 0.285 18749
824 1 3 . 1 1 29 29 ASP N N 29 116.209 116.209 120.000 -3.791 18749
825 1 3 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.501 -0.067 18749
826 1 3 . 1 1 29 29 ASP C C 29 174.486 174.486 174.689 -0.203 18749
827 1 3 . 1 1 29 29 ASP CA C 29 55.349 55.349 52.900 2.449 18749
828 1 3 . 1 1 29 29 ASP CB C 29 42.596 42.596 41.647 0.949 18749
829 1 3 . 1 1 29 29 ASP H H 29 7.272 7.272 7.493 -0.221 18749
830 1 3 . 1 1 30 30 TYR N N 30 116.344 116.344 120.389 -4.045 18749
831 1 3 . 1 1 30 30 TYR CA C 30 57.018 57.018 58.577 -1.559 18749
832 1 3 . 1 1 30 30 TYR CB C 30 43.459 43.459 39.042 4.417 18749
833 1 3 . 1 1 30 30 TYR H H 30 7.281 7.281 8.124 -0.843 18749
834 1 3 . 1 1 31 31 LYS C C 31 177.018 177.018 176.158 0.860 18749
835 1 3 . 1 1 32 32 HIS N N 32 116.170 116.170 117.683 -1.513 18749
836 1 3 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.581 -0.779 18749
837 1 3 . 1 1 32 32 HIS C C 32 173.979 173.979 176.701 -2.722 18749
838 1 3 . 1 1 32 32 HIS CA C 32 55.136 55.136 59.134 -3.998 18749
839 1 3 . 1 1 32 32 HIS CB C 32 33.128 33.128 30.647 2.481 18749
840 1 3 . 1 1 32 32 HIS H H 32 7.691 7.691 8.374 -0.683 18749
841 1 3 . 1 1 33 33 THR N N 33 108.605 108.605 110.426 -1.821 18749
842 1 3 . 1 1 33 33 THR HA H 33 4.424 4.424 4.198 0.226 18749
843 1 3 . 1 1 33 33 THR C C 33 175.107 175.107 175.156 -0.049 18749
844 1 3 . 1 1 33 33 THR CA C 33 60.218 60.218 63.875 -3.657 18749
845 1 3 . 1 1 33 33 THR CB C 33 69.476 69.476 68.637 0.839 18749
846 1 3 . 1 1 33 33 THR H H 33 8.051 8.051 8.358 -0.307 18749
847 1 3 . 1 1 34 34 ASP N N 34 121.404 121.404 120.116 1.288 18749
848 1 3 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.506 0.084 18749
849 1 3 . 1 1 34 34 ASP C C 34 175.334 175.334 177.186 -1.852 18749
850 1 3 . 1 1 34 34 ASP CA C 34 53.564 53.564 56.375 -2.811 18749
851 1 3 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.372 0.048 18749
852 1 3 . 1 1 34 34 ASP H H 34 7.973 7.973 8.231 -0.258 18749
853 1 3 . 1 1 35 35 MET N N 35 119.898 119.898 117.808 2.090 18749
854 1 3 . 1 1 35 35 MET HA H 35 4.398 4.398 4.327 0.071 18749
855 1 3 . 1 1 35 35 MET C C 35 174.846 174.846 176.851 -2.005 18749
856 1 3 . 1 1 35 35 MET CA C 35 55.631 55.631 57.368 -1.737 18749
857 1 3 . 1 1 35 35 MET CB C 35 33.382 33.382 33.163 0.219 18749
858 1 3 . 1 1 35 35 MET H H 35 7.585 7.585 7.699 -0.114 18749
859 1 3 . 1 1 36 36 ASP N N 36 123.631 123.631 118.959 4.672 18749
860 1 3 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.769 -0.283 18749
861 1 3 . 1 1 36 36 ASP C C 36 176.456 176.456 175.593 0.863 18749
862 1 3 . 1 1 36 36 ASP CA C 36 54.279 54.279 53.834 0.445 18749
863 1 3 . 1 1 36 36 ASP CB C 36 41.156 41.156 42.092 -0.936 18749
864 1 3 . 1 1 36 36 ASP H H 36 8.360 8.360 7.767 0.593 18749
865 1 3 . 1 1 37 37 LEU N N 37 123.812 123.812 120.676 3.136 18749
866 1 3 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.539 -0.236 18749
867 1 3 . 1 1 37 37 LEU C C 37 177.554 177.554 177.370 0.184 18749
868 1 3 . 1 1 37 37 LEU CA C 37 55.317 55.317 54.188 1.129 18749
869 1 3 . 1 1 37 37 LEU CB C 37 41.945 41.945 42.680 -0.735 18749
870 1 3 . 1 1 37 37 LEU H H 37 8.224 8.224 8.350 -0.126 18749
871 1 3 . 1 1 38 38 THR N N 38 113.723 113.723 116.456 -2.733 18749
872 1 3 . 1 1 38 38 THR HA H 38 4.153 4.153 4.266 -0.113 18749
873 1 3 . 1 1 38 38 THR C C 38 174.786 174.786 174.031 0.755 18749
874 1 3 . 1 1 38 38 THR CA C 38 62.673 62.673 61.410 1.263 18749
875 1 3 . 1 1 38 38 THR CB C 38 69.792 69.792 69.533 0.259 18749
876 1 3 . 1 1 38 38 THR H H 38 8.321 8.321 8.279 0.042 18749
877 1 3 . 1 1 39 39 TYR N N 39 121.098 121.098 120.826 0.272 18749
878 1 3 . 1 1 39 39 TYR C C 39 175.992 175.992 177.599 -1.607 18749
879 1 3 . 1 1 39 39 TYR CA C 39 58.083 58.083 58.168 -0.085 18749
880 1 3 . 1 1 39 39 TYR CB C 39 38.309 38.309 39.149 -0.840 18749
881 1 3 . 1 1 39 39 TYR H H 39 7.920 7.920 8.549 -0.629 18749
882 1 3 . 1 1 40 40 THR N N 40 113.380 113.380 117.599 -4.219 18749
883 1 3 . 1 1 40 40 THR C C 40 174.356 174.356 174.776 -0.420 18749
884 1 3 . 1 1 40 40 THR CA C 40 61.801 61.801 64.658 -2.857 18749
885 1 3 . 1 1 40 40 THR CB C 40 69.965 69.965 69.180 0.785 18749
886 1 3 . 1 1 40 40 THR H H 40 7.885 7.885 8.579 -0.694 18749
887 1 3 . 1 1 41 41 ASP N N 41 121.537 121.537 121.804 -0.267 18749
888 1 3 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.733 -0.265 18749
889 1 3 . 1 1 41 41 ASP C C 41 176.338 176.338 175.293 1.045 18749
890 1 3 . 1 1 41 41 ASP CA C 41 54.674 54.674 53.506 1.168 18749
891 1 3 . 1 1 41 41 ASP CB C 41 40.996 40.996 40.620 0.376 18749
892 1 3 . 1 1 41 41 ASP H H 41 8.184 8.184 8.274 -0.090 18749
893 1 3 . 1 1 42 42 ARG N N 42 119.745 119.745 123.779 -4.034 18749
894 1 3 . 1 1 42 42 ARG HA H 42 4.171 4.171 4.269 -0.098 18749
895 1 3 . 1 1 42 42 ARG C C 42 175.906 175.906 175.699 0.207 18749
896 1 3 . 1 1 42 42 ARG CA C 42 56.644 56.644 55.693 0.952 18749
897 1 3 . 1 1 42 42 ARG CB C 42 30.788 30.788 31.042 -0.254 18749
898 1 3 . 1 1 42 42 ARG H H 42 7.997 7.997 7.799 0.198 18749
899 1 3 . 1 1 43 43 ASP N N 43 119.314 119.314 123.770 -4.456 18749
900 1 3 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.708 -0.205 18749
901 1 3 . 1 1 43 43 ASP C C 43 175.599 175.599 175.662 -0.063 18749
902 1 3 . 1 1 43 43 ASP CA C 43 54.368 54.368 53.975 0.393 18749
903 1 3 . 1 1 43 43 ASP CB C 43 41.071 41.071 40.934 0.137 18749
904 1 3 . 1 1 43 43 ASP H H 43 8.181 8.181 8.481 -0.300 18749
905 1 3 . 1 1 44 44 TYR N N 44 120.178 120.178 123.832 -3.654 18749
906 1 3 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.504 -0.180 18749
907 1 3 . 1 1 44 44 TYR C C 44 175.321 175.321 176.124 -0.803 18749
908 1 3 . 1 1 44 44 TYR CA C 44 58.553 58.553 58.031 0.522 18749
909 1 3 . 1 1 44 44 TYR CB C 44 38.614 38.614 38.901 -0.287 18749
910 1 3 . 1 1 44 44 TYR H H 44 7.806 7.806 8.427 -0.621 18749
911 1 3 . 1 1 45 45 LYS N N 45 123.353 123.353 125.582 -2.229 18749
912 1 3 . 1 1 45 45 LYS CA C 45 55.745 55.745 56.250 -0.505 18749
913 1 3 . 1 1 45 45 LYS CB C 45 33.789 33.789 32.741 1.048 18749
914 1 3 . 1 1 45 45 LYS H H 45 7.731 7.731 8.547 -0.816 18749
915 1 3 . 1 1 47 47 CYS N N 47 125.060 125.060 121.542 3.518 18749
916 1 3 . 1 1 47 47 CYS H H 47 8.811 8.811 7.868 0.943 18749
917 1 3 . 1 1 48 48 GLU C C 48 178.473 178.473 175.239 3.234 18749
918 1 3 . 1 1 49 49 SER N N 49 120.359 120.359 119.480 0.879 18749
919 1 3 . 1 1 49 49 SER C C 49 172.276 172.276 174.041 -1.765 18749
920 1 3 . 1 1 49 49 SER CA C 49 61.125 61.125 59.904 1.221 18749
921 1 3 . 1 1 49 49 SER CB C 49 63.224 63.224 63.604 -0.380 18749
922 1 3 . 1 1 49 49 SER H H 49 8.737 8.737 8.478 0.259 18749
923 1 3 . 1 1 50 50 TYR N N 50 110.556 110.556 117.250 -6.694 18749
924 1 3 . 1 1 50 50 TYR C C 50 175.624 175.624 174.593 1.031 18749
925 1 3 . 1 1 50 50 TYR CA C 50 59.205 59.205 57.425 1.780 18749
926 1 3 . 1 1 50 50 TYR CB C 50 38.197 38.197 41.130 -2.933 18749
927 1 3 . 1 1 50 50 TYR H H 50 6.326 6.326 7.421 -1.095 18749
928 1 3 . 1 1 51 51 HIS N N 51 119.871 119.871 121.826 -1.955 18749
929 1 3 . 1 1 51 51 HIS HA H 51 3.757 3.757 4.672 -0.915 18749
930 1 3 . 1 1 51 51 HIS C C 51 176.588 176.588 176.175 0.413 18749
931 1 3 . 1 1 51 51 HIS CA C 51 59.323 59.323 56.435 2.888 18749
932 1 3 . 1 1 51 51 HIS CB C 51 27.514 27.514 29.004 -1.490 18749
933 1 3 . 1 1 51 51 HIS H H 51 5.890 5.890 8.856 -2.966 18749
934 1 3 . 1 1 52 52 LYS N N 52 122.505 122.505 119.457 3.048 18749
935 1 3 . 1 1 52 52 LYS C C 52 178.958 178.958 177.065 1.893 18749
936 1 3 . 1 1 52 52 LYS CA C 52 58.922 58.922 58.686 0.236 18749
937 1 3 . 1 1 52 52 LYS CB C 52 31.291 31.291 32.361 -1.070 18749
938 1 3 . 1 1 52 52 LYS H H 52 7.660 7.660 8.462 -0.802 18749
939 1 3 . 1 1 53 53 CYS N N 53 117.268 117.268 115.537 1.731 18749
940 1 3 . 1 1 53 53 CYS C C 53 179.241 179.241 174.669 4.572 18749
941 1 3 . 1 1 53 53 CYS CA C 53 64.802 64.802 58.336 6.466 18749
942 1 3 . 1 1 53 53 CYS CB C 53 30.906 30.906 28.537 2.369 18749
943 1 3 . 1 1 53 53 CYS H H 53 8.256 8.256 8.338 -0.082 18749
944 1 3 . 1 1 54 54 SER N N 54 111.716 111.716 117.847 -6.131 18749
945 1 3 . 1 1 54 54 SER HA H 54 3.839 3.839 4.194 -0.355 18749
946 1 3 . 1 1 54 54 SER C C 54 175.922 175.922 176.200 -0.278 18749
947 1 3 . 1 1 54 54 SER CA C 54 60.263 60.263 62.859 -2.596 18749
948 1 3 . 1 1 54 54 SER CB C 54 64.120 64.120 63.203 0.917 18749
949 1 3 . 1 1 54 54 SER H H 54 7.671 7.671 8.147 -0.476 18749
950 1 3 . 1 1 55 55 ASP N N 55 119.056 119.056 120.407 -1.351 18749
951 1 3 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.577 -0.282 18749
952 1 3 . 1 1 55 55 ASP C C 55 178.101 178.101 177.294 0.807 18749
953 1 3 . 1 1 55 55 ASP CA C 55 57.387 57.387 56.433 0.954 18749
954 1 3 . 1 1 55 55 ASP CB C 55 40.315 40.315 40.565 -0.250 18749
955 1 3 . 1 1 55 55 ASP H H 55 7.438 7.438 8.609 -1.171 18749
956 1 3 . 1 1 56 56 LEU N N 56 118.324 118.324 117.905 0.419 18749
957 1 3 . 1 1 56 56 LEU HA H 56 4.168 4.168 4.149 0.019 18749
958 1 3 . 1 1 56 56 LEU C C 56 176.250 176.250 177.494 -1.244 18749
959 1 3 . 1 1 56 56 LEU CA C 56 55.333 55.333 56.486 -1.153 18749
960 1 3 . 1 1 56 56 LEU CB C 56 43.173 43.173 42.228 0.945 18749
961 1 3 . 1 1 56 56 LEU H H 56 7.565 7.565 7.596 -0.031 18749
962 1 3 . 1 1 57 57 CYS N N 57 124.095 124.095 118.719 5.376 18749
963 1 3 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.555 -0.300 18749
964 1 3 . 1 1 57 57 CYS C C 57 177.371 177.371 175.007 2.364 18749
965 1 3 . 1 1 57 57 CYS CA C 57 59.255 59.255 58.204 1.051 18749
966 1 3 . 1 1 57 57 CYS CB C 57 30.128 30.128 27.061 3.067 18749
967 1 3 . 1 1 57 57 CYS H H 57 7.265 7.265 7.920 -0.655 18749
968 1 3 . 1 1 58 58 GLN N N 58 131.839 131.839 128.270 3.569 18749
969 1 3 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.147 -0.224 18749
970 1 3 . 1 1 58 58 GLN C C 58 178.435 178.435 177.974 0.461 18749
971 1 3 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.215 1.073 18749
972 1 3 . 1 1 58 58 GLN CB C 58 28.195 28.195 28.628 -0.433 18749
973 1 3 . 1 1 58 58 GLN H H 58 9.451 9.451 8.924 0.527 18749
974 1 3 . 1 1 59 59 TYR N N 59 124.026 124.026 120.635 3.391 18749
975 1 3 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.521 -0.092 18749
976 1 3 . 1 1 59 59 TYR C C 59 178.722 178.722 177.011 1.711 18749
977 1 3 . 1 1 59 59 TYR CA C 59 60.295 60.295 61.443 -1.148 18749
978 1 3 . 1 1 59 59 TYR CB C 59 38.591 38.591 38.678 -0.087 18749
979 1 3 . 1 1 59 59 TYR H H 59 8.699 8.699 8.214 0.485 18749
980 1 3 . 1 1 60 60 CYS N N 60 122.268 122.268 116.312 5.956 18749
981 1 3 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.710 -0.393 18749
982 1 3 . 1 1 60 60 CYS C C 60 176.011 176.011 176.236 -0.225 18749
983 1 3 . 1 1 60 60 CYS CA C 60 64.499 64.499 61.037 3.462 18749
984 1 3 . 1 1 60 60 CYS CB C 60 30.203 30.203 26.061 4.142 18749
985 1 3 . 1 1 60 60 CYS H H 60 8.432 8.432 7.858 0.574 18749
986 1 3 . 1 1 61 61 ARG N N 61 116.449 116.449 118.041 -1.592 18749
987 1 3 . 1 1 61 61 ARG HA H 61 3.895 3.895 4.022 -0.127 18749
988 1 3 . 1 1 61 61 ARG C C 61 176.965 176.965 177.851 -0.886 18749
989 1 3 . 1 1 61 61 ARG CA C 61 58.336 58.336 58.770 -0.434 18749
990 1 3 . 1 1 61 61 ARG CB C 61 29.771 29.771 30.032 -0.261 18749
991 1 3 . 1 1 61 61 ARG H H 61 7.265 7.265 7.458 -0.193 18749
992 1 3 . 1 1 62 62 TYR N N 62 117.341 117.341 116.428 0.913 18749
993 1 3 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.441 0.028 18749
994 1 3 . 1 1 62 62 TYR C C 62 175.562 175.562 176.945 -1.383 18749
995 1 3 . 1 1 62 62 TYR CA C 62 58.566 58.566 60.136 -1.570 18749
996 1 3 . 1 1 62 62 TYR CB C 62 39.182 39.182 39.508 -0.326 18749
997 1 3 . 1 1 62 62 TYR H H 62 7.259 7.259 7.561 -0.302 18749
998 1 3 . 1 1 63 63 GLN N N 63 121.663 121.663 117.585 4.078 18749
999 1 3 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.597 -0.387 18749
1000 1 3 . 1 1 63 63 GLN C C 63 173.076 173.076 174.912 -1.836 18749
1001 1 3 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.793 -0.301 18749
1002 1 3 . 1 1 63 63 GLN CB C 63 29.401 29.401 31.473 -2.072 18749
1003 1 3 . 1 1 63 63 GLN H H 63 7.856 7.856 7.733 0.123 18749
1004 1 3 . 1 1 64 64 LYS N N 64 127.668 127.668 125.260 2.408 18749
1005 1 3 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.162 0.139 18749
1006 1 3 . 1 1 64 64 LYS C C 64 177.301 177.301 175.898 1.403 18749
1007 1 3 . 1 1 64 64 LYS CA C 64 58.182 58.182 57.462 0.720 18749
1008 1 3 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.456 0.058 18749
1009 1 3 . 1 1 64 64 LYS H H 64 8.204 8.204 8.699 -0.495 18749
1010 1 3 . 1 1 65 65 ASP N N 65 131.040 131.040 123.674 7.366 18749
1011 1 3 . 1 1 65 65 ASP C C 65 174.529 174.529 177.231 -2.702 18749
1012 1 3 . 1 1 65 65 ASP CA C 65 53.232 53.232 54.047 -0.816 18749
1013 1 3 . 1 1 65 65 ASP CB C 65 41.222 41.222 40.991 0.231 18749
1014 1 3 . 1 1 65 65 ASP H H 65 8.677 8.677 8.401 0.276 18749
1015 1 3 . 1 1 66 66 LEU N N 66 125.688 125.688 121.318 4.370 18749
1016 1 3 . 1 1 66 66 LEU HA H 66 4.088 4.088 3.987 0.101 18749
1017 1 3 . 1 1 66 66 LEU C C 66 178.676 178.676 177.664 1.012 18749
1018 1 3 . 1 1 66 66 LEU CA C 66 57.836 57.836 56.039 1.796 18749
1019 1 3 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.601 1.595 18749
1020 1 3 . 1 1 66 66 LEU H H 66 8.733 8.733 7.840 0.893 18749
1021 1 3 . 1 1 67 67 ALA N N 67 119.916 119.916 121.570 -1.654 18749
1022 1 3 . 1 1 67 67 ALA C C 67 180.513 180.513 178.831 1.682 18749
1023 1 3 . 1 1 67 67 ALA CA C 67 55.151 55.151 54.261 0.890 18749
1024 1 3 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.396 -0.278 18749
1025 1 3 . 1 1 67 67 ALA H H 67 8.076 8.076 7.711 0.365 18749
1026 1 3 . 1 1 68 68 ILE N N 68 119.735 119.735 115.148 4.587 18749
1027 1 3 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.672 -0.013 18749
1028 1 3 . 1 1 68 68 ILE C C 68 177.647 177.647 176.266 1.381 18749
1029 1 3 . 1 1 68 68 ILE CA C 68 63.267 63.267 63.381 -0.114 18749
1030 1 3 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.555 -0.217 18749
1031 1 3 . 1 1 68 68 ILE H H 68 7.342 7.342 7.159 0.183 18749
1032 1 3 . 1 1 69 69 HIS N N 69 119.542 119.542 119.967 -0.425 18749
1033 1 3 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.303 -0.000 18749
1034 1 3 . 1 1 69 69 HIS CA C 69 59.224 59.224 56.133 3.091 18749
1035 1 3 . 1 1 69 69 HIS CB C 69 28.569 28.569 30.225 -1.656 18749
1036 1 3 . 1 1 69 69 HIS H H 69 6.608 6.608 7.960 -1.352 18749
1037 1 3 . 1 1 84 84 GLY C C 84 174.391 174.391 172.517 1.874 18749
1038 1 3 . 1 1 84 84 GLY CA C 84 45.472 45.472 44.903 0.569 18749
1039 1 3 . 1 1 85 85 THR N N 85 112.734 112.734 112.966 -0.232 18749
1040 1 3 . 1 1 85 85 THR C C 85 175.056 175.056 174.861 0.195 18749
1041 1 3 . 1 1 85 85 THR CA C 85 61.980 61.980 61.528 0.452 18749
1042 1 3 . 1 1 85 85 THR CB C 85 69.868 69.868 70.171 -0.303 18749
1043 1 3 . 1 1 85 85 THR H H 85 8.012 8.012 8.266 -0.254 18749
1044 1 3 . 1 1 86 86 GLY N N 86 111.173 111.173 112.043 -0.870 18749
1045 1 3 . 1 1 86 86 GLY C C 86 172.909 172.909 174.968 -2.059 18749
1046 1 3 . 1 1 86 86 GLY CA C 86 45.268 45.268 45.612 -0.344 18749
1047 1 3 . 1 1 86 86 GLY H H 86 8.276 8.276 8.673 -0.397 18749
1048 1 4 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.564 -0.173 18749
1049 1 4 . 1 1 4 4 PRO C C 4 176.097 176.097 175.773 0.324 18749
1050 1 4 . 1 1 4 4 PRO CA C 4 62.965 62.965 62.986 -0.021 18749
1051 1 4 . 1 1 4 4 PRO CB C 4 31.902 31.902 32.145 -0.243 18749
1052 1 4 . 1 1 5 5 VAL N N 5 121.993 121.993 119.012 2.981 18749
1053 1 4 . 1 1 5 5 VAL HA H 5 4.341 4.341 4.486 -0.145 18749
1054 1 4 . 1 1 5 5 VAL CA C 5 59.763 59.763 59.072 0.691 18749
1055 1 4 . 1 1 5 5 VAL CB C 5 32.567 32.567 33.709 -1.142 18749
1056 1 4 . 1 1 5 5 VAL H H 5 8.149 8.149 7.785 0.364 18749
1057 1 4 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.125 0.131 18749
1058 1 4 . 1 1 6 6 PRO C C 6 176.167 176.167 175.826 0.341 18749
1059 1 4 . 1 1 6 6 PRO CA C 6 63.138 63.138 64.915 -1.777 18749
1060 1 4 . 1 1 6 6 PRO CB C 6 31.877 31.877 31.972 -0.095 18749
1061 1 4 . 1 1 7 7 TYR N N 7 121.107 121.107 114.567 6.540 18749
1062 1 4 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.716 -0.273 18749
1063 1 4 . 1 1 7 7 TYR CA C 7 55.602 55.602 56.014 -0.412 18749
1064 1 4 . 1 1 7 7 TYR CB C 7 38.212 38.212 40.617 -2.405 18749
1065 1 4 . 1 1 7 7 TYR H H 7 7.945 7.945 7.634 0.311 18749
1066 1 4 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.532 -0.244 18749
1067 1 4 . 1 1 8 8 PRO C C 8 176.122 176.122 176.004 0.118 18749
1068 1 4 . 1 1 8 8 PRO CA C 8 62.983 62.983 63.366 -0.383 18749
1069 1 4 . 1 1 8 8 PRO CB C 8 31.913 31.913 32.281 -0.368 18749
1070 1 4 . 1 1 9 9 ASP N N 9 122.332 122.332 118.235 4.097 18749
1071 1 4 . 1 1 9 9 ASP HA H 9 4.466 4.466 4.450 0.016 18749
1072 1 4 . 1 1 9 9 ASP CA C 9 52.317 52.317 54.641 -2.324 18749
1073 1 4 . 1 1 9 9 ASP CB C 9 41.371 41.371 39.376 1.995 18749
1074 1 4 . 1 1 9 9 ASP H H 9 8.204 8.204 8.560 -0.356 18749
1075 1 4 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.209 0.100 18749
1076 1 4 . 1 1 10 10 PRO C C 10 177.003 177.003 177.693 -0.690 18749
1077 1 4 . 1 1 10 10 PRO CA C 10 63.635 63.635 64.457 -0.821 18749
1078 1 4 . 1 1 10 10 PRO CB C 10 32.207 32.207 32.001 0.206 18749
1079 1 4 . 1 1 11 11 LEU N N 11 120.566 120.566 117.140 3.426 18749
1080 1 4 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.163 0.058 18749
1081 1 4 . 1 1 11 11 LEU C C 11 177.277 177.277 177.357 -0.080 18749
1082 1 4 . 1 1 11 11 LEU CA C 11 54.938 54.938 56.371 -1.433 18749
1083 1 4 . 1 1 11 11 LEU CB C 11 41.908 41.908 42.089 -0.181 18749
1084 1 4 . 1 1 11 11 LEU H H 11 8.295 8.295 7.996 0.299 18749
1085 1 4 . 1 1 12 12 GLU N N 12 122.415 122.415 112.727 9.688 18749
1086 1 4 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.654 -0.270 18749
1087 1 4 . 1 1 12 12 GLU CA C 12 54.384 54.384 53.817 0.567 18749
1088 1 4 . 1 1 12 12 GLU CB C 12 29.988 29.988 28.758 1.230 18749
1089 1 4 . 1 1 12 12 GLU H H 12 7.857 7.857 7.634 0.223 18749
1090 1 4 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.436 -0.187 18749
1091 1 4 . 1 1 13 13 PRO C C 13 177.132 177.132 178.389 -1.257 18749
1092 1 4 . 1 1 13 13 PRO CA C 13 63.458 63.458 64.244 -0.786 18749
1093 1 4 . 1 1 13 13 PRO CB C 13 31.862 31.862 31.971 -0.109 18749
1094 1 4 . 1 1 14 14 ARG N N 14 121.214 121.214 118.158 3.056 18749
1095 1 4 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.111 0.048 18749
1096 1 4 . 1 1 14 14 ARG CA C 14 56.162 56.162 57.580 -1.418 18749
1097 1 4 . 1 1 14 14 ARG CB C 14 30.632 30.632 30.342 0.290 18749
1098 1 4 . 1 1 14 14 ARG H H 14 8.337 8.337 8.241 0.096 18749
1099 1 4 . 1 1 15 15 GLY N N 15 109.686 109.686 105.347 4.339 18749
1100 1 4 . 1 1 15 15 GLY C C 15 174.130 174.130 174.807 -0.677 18749
1101 1 4 . 1 1 15 15 GLY CA C 15 45.312 45.312 45.713 -0.401 18749
1102 1 4 . 1 1 15 15 GLY H H 15 8.280 8.280 7.737 0.543 18749
1103 1 4 . 1 1 16 16 GLY N N 16 108.011 108.011 110.524 -2.513 18749
1104 1 4 . 1 1 16 16 GLY C C 16 172.056 172.056 174.269 -2.213 18749
1105 1 4 . 1 1 16 16 GLY CA C 16 44.895 44.895 45.061 -0.166 18749
1106 1 4 . 1 1 16 16 GLY H H 16 7.764 7.764 8.051 -0.287 18749
1107 1 4 . 1 1 17 17 LYS N N 17 117.049 117.049 118.527 -1.478 18749
1108 1 4 . 1 1 17 17 LYS HA H 17 4.135 4.135 4.353 -0.218 18749
1109 1 4 . 1 1 17 17 LYS C C 17 175.259 175.259 177.239 -1.980 18749
1110 1 4 . 1 1 17 17 LYS CA C 17 53.914 53.914 57.034 -3.120 18749
1111 1 4 . 1 1 17 17 LYS CB C 17 35.219 35.219 32.674 2.545 18749
1112 1 4 . 1 1 17 17 LYS H H 17 7.347 7.347 7.737 -0.390 18749
1113 1 4 . 1 1 18 18 HIS N N 18 120.426 120.426 122.961 -2.535 18749
1114 1 4 . 1 1 18 18 HIS C C 18 175.419 175.419 175.736 -0.317 18749
1115 1 4 . 1 1 18 18 HIS CA C 18 57.086 57.086 58.913 -1.827 18749
1116 1 4 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.385 0.107 18749
1117 1 4 . 1 1 19 19 ILE N N 19 126.193 126.193 117.237 8.956 18749
1118 1 4 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.368 0.086 18749
1119 1 4 . 1 1 19 19 ILE C C 19 175.138 175.138 175.598 -0.460 18749
1120 1 4 . 1 1 19 19 ILE CA C 19 59.189 59.189 60.614 -1.425 18749
1121 1 4 . 1 1 19 19 ILE CB C 19 41.816 41.816 38.688 3.128 18749
1122 1 4 . 1 1 19 19 ILE H H 19 8.180 8.180 7.827 0.353 18749
1123 1 4 . 1 1 20 20 CYS N N 20 127.805 127.805 127.657 0.148 18749
1124 1 4 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.548 0.367 18749
1125 1 4 . 1 1 20 20 CYS C C 20 174.996 174.996 176.909 -1.913 18749
1126 1 4 . 1 1 20 20 CYS CA C 20 57.370 57.370 58.671 -1.301 18749
1127 1 4 . 1 1 20 20 CYS CB C 20 32.008 32.008 29.753 2.255 18749
1128 1 4 . 1 1 20 20 CYS H H 20 8.382 8.382 8.216 0.166 18749
1129 1 4 . 1 1 21 21 ALA N N 21 135.406 135.406 130.270 5.136 18749
1130 1 4 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.197 -0.035 18749
1131 1 4 . 1 1 21 21 ALA C C 21 177.885 177.885 177.265 0.620 18749
1132 1 4 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.315 0.177 18749
1133 1 4 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.712 0.913 18749
1134 1 4 . 1 1 21 21 ALA H H 21 8.742 8.742 8.736 0.006 18749
1135 1 4 . 1 1 22 22 ILE N N 22 119.063 119.063 117.459 1.604 18749
1136 1 4 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.131 -0.270 18749
1137 1 4 . 1 1 22 22 ILE C C 22 176.914 176.914 177.164 -0.250 18749
1138 1 4 . 1 1 22 22 ILE CA C 22 63.218 63.218 62.614 0.604 18749
1139 1 4 . 1 1 22 22 ILE CB C 22 37.371 37.371 39.231 -1.860 18749
1140 1 4 . 1 1 22 22 ILE H H 22 8.150 8.150 7.750 0.400 18749
1141 1 4 . 1 1 23 23 CYS N N 23 114.362 114.362 118.279 -3.917 18749
1142 1 4 . 1 1 23 23 CYS C C 23 176.216 176.216 175.726 0.490 18749
1143 1 4 . 1 1 23 23 CYS CA C 23 57.878 57.878 59.714 -1.836 18749
1144 1 4 . 1 1 23 23 CYS CB C 23 30.456 30.456 27.642 2.814 18749
1145 1 4 . 1 1 23 23 CYS H H 23 7.238 7.238 8.320 -1.082 18749
1146 1 4 . 1 1 24 24 GLY N N 24 111.898 111.898 106.124 5.774 18749
1147 1 4 . 1 1 24 24 GLY C C 24 173.367 173.367 173.890 -0.523 18749
1148 1 4 . 1 1 24 24 GLY CA C 24 46.222 46.222 46.115 0.107 18749
1149 1 4 . 1 1 24 24 GLY H H 24 7.566 7.566 8.639 -1.073 18749
1150 1 4 . 1 1 25 25 ASN N N 25 117.684 117.684 115.813 1.871 18749
1151 1 4 . 1 1 25 25 ASN HA H 25 4.763 4.763 4.964 -0.201 18749
1152 1 4 . 1 1 25 25 ASN C C 25 174.631 174.631 175.078 -0.447 18749
1153 1 4 . 1 1 25 25 ASN CA C 25 51.901 51.901 52.525 -0.624 18749
1154 1 4 . 1 1 25 25 ASN CB C 25 40.666 40.666 40.240 0.426 18749
1155 1 4 . 1 1 25 25 ASN H H 25 7.781 7.781 8.494 -0.713 18749
1156 1 4 . 1 1 26 26 ASN N N 26 118.294 118.294 118.459 -0.165 18749
1157 1 4 . 1 1 26 26 ASN HA H 26 4.570 4.570 4.656 -0.086 18749
1158 1 4 . 1 1 26 26 ASN C C 26 175.502 175.502 176.695 -1.193 18749
1159 1 4 . 1 1 26 26 ASN CA C 26 53.980 53.980 55.974 -1.994 18749
1160 1 4 . 1 1 26 26 ASN CB C 26 38.066 38.066 38.025 0.041 18749
1161 1 4 . 1 1 26 26 ASN H H 26 8.562 8.562 8.441 0.121 18749
1162 1 4 . 1 1 27 27 ALA N N 27 126.538 126.538 122.210 4.328 18749
1163 1 4 . 1 1 27 27 ALA C C 27 177.920 177.920 178.697 -0.777 18749
1164 1 4 . 1 1 27 27 ALA CA C 27 53.567 53.567 54.299 -0.732 18749
1165 1 4 . 1 1 27 27 ALA CB C 27 18.852 18.852 18.530 0.322 18749
1166 1 4 . 1 1 27 27 ALA H H 27 8.217 8.217 8.328 -0.111 18749
1167 1 4 . 1 1 28 28 GLU N N 28 112.911 112.911 117.940 -5.029 18749
1168 1 4 . 1 1 28 28 GLU HA H 28 4.099 4.099 4.131 -0.032 18749
1169 1 4 . 1 1 28 28 GLU C C 28 177.423 177.423 176.764 0.659 18749
1170 1 4 . 1 1 28 28 GLU CA C 28 57.783 57.783 58.327 -0.544 18749
1171 1 4 . 1 1 28 28 GLU CB C 28 30.926 30.926 29.965 0.961 18749
1172 1 4 . 1 1 28 28 GLU H H 28 8.608 8.608 8.269 0.339 18749
1173 1 4 . 1 1 29 29 ASP N N 29 116.209 116.209 117.385 -1.176 18749
1174 1 4 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.296 0.138 18749
1175 1 4 . 1 1 29 29 ASP C C 29 174.486 174.486 175.123 -0.637 18749
1176 1 4 . 1 1 29 29 ASP CA C 29 55.349 55.349 52.889 2.460 18749
1177 1 4 . 1 1 29 29 ASP CB C 29 42.596 42.596 41.716 0.880 18749
1178 1 4 . 1 1 29 29 ASP H H 29 7.272 7.272 7.578 -0.306 18749
1179 1 4 . 1 1 30 30 TYR N N 30 116.344 116.344 117.955 -1.611 18749
1180 1 4 . 1 1 30 30 TYR CA C 30 57.018 57.018 59.255 -2.237 18749
1181 1 4 . 1 1 30 30 TYR CB C 30 43.459 43.459 39.763 3.696 18749
1182 1 4 . 1 1 30 30 TYR H H 30 7.281 7.281 8.269 -0.988 18749
1183 1 4 . 1 1 31 31 LYS C C 31 177.018 177.018 175.488 1.530 18749
1184 1 4 . 1 1 32 32 HIS N N 32 116.170 116.170 116.822 -0.652 18749
1185 1 4 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.607 -0.805 18749
1186 1 4 . 1 1 32 32 HIS C C 32 173.979 173.979 176.899 -2.920 18749
1187 1 4 . 1 1 32 32 HIS CA C 32 55.136 55.136 57.809 -2.673 18749
1188 1 4 . 1 1 32 32 HIS CB C 32 33.128 33.128 30.493 2.635 18749
1189 1 4 . 1 1 32 32 HIS H H 32 7.691 7.691 8.417 -0.726 18749
1190 1 4 . 1 1 33 33 THR N N 33 108.605 108.605 110.652 -2.047 18749
1191 1 4 . 1 1 33 33 THR HA H 33 4.424 4.424 4.441 -0.017 18749
1192 1 4 . 1 1 33 33 THR C C 33 175.107 175.107 175.321 -0.214 18749
1193 1 4 . 1 1 33 33 THR CA C 33 60.218 60.218 62.805 -2.587 18749
1194 1 4 . 1 1 33 33 THR CB C 33 69.476 69.476 69.289 0.187 18749
1195 1 4 . 1 1 33 33 THR H H 33 8.051 8.051 7.865 0.186 18749
1196 1 4 . 1 1 34 34 ASP N N 34 121.404 121.404 121.637 -0.233 18749
1197 1 4 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.464 0.126 18749
1198 1 4 . 1 1 34 34 ASP C C 34 175.334 175.334 177.211 -1.877 18749
1199 1 4 . 1 1 34 34 ASP CA C 34 53.564 53.564 56.958 -3.394 18749
1200 1 4 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.532 -0.112 18749
1201 1 4 . 1 1 34 34 ASP H H 34 7.973 7.973 8.323 -0.350 18749
1202 1 4 . 1 1 35 35 MET N N 35 119.898 119.898 117.043 2.855 18749
1203 1 4 . 1 1 35 35 MET HA H 35 4.398 4.398 4.258 0.140 18749
1204 1 4 . 1 1 35 35 MET C C 35 174.846 174.846 176.677 -1.831 18749
1205 1 4 . 1 1 35 35 MET CA C 35 55.631 55.631 57.843 -2.212 18749
1206 1 4 . 1 1 35 35 MET CB C 35 33.382 33.382 33.478 -0.096 18749
1207 1 4 . 1 1 35 35 MET H H 35 7.585 7.585 7.586 -0.001 18749
1208 1 4 . 1 1 36 36 ASP N N 36 123.631 123.631 116.635 6.996 18749
1209 1 4 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.848 -0.362 18749
1210 1 4 . 1 1 36 36 ASP C C 36 176.456 176.456 174.078 2.378 18749
1211 1 4 . 1 1 36 36 ASP CA C 36 54.279 54.279 53.359 0.920 18749
1212 1 4 . 1 1 36 36 ASP CB C 36 41.156 41.156 43.624 -2.468 18749
1213 1 4 . 1 1 36 36 ASP H H 36 8.360 8.360 7.993 0.367 18749
1214 1 4 . 1 1 37 37 LEU N N 37 123.812 123.812 124.819 -1.007 18749
1215 1 4 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.391 -0.088 18749
1216 1 4 . 1 1 37 37 LEU C C 37 177.554 177.554 177.138 0.416 18749
1217 1 4 . 1 1 37 37 LEU CA C 37 55.317 55.317 55.410 -0.093 18749
1218 1 4 . 1 1 37 37 LEU CB C 37 41.945 41.945 42.739 -0.794 18749
1219 1 4 . 1 1 37 37 LEU H H 37 8.224 8.224 8.352 -0.128 18749
1220 1 4 . 1 1 38 38 THR N N 38 113.723 113.723 119.994 -6.271 18749
1221 1 4 . 1 1 38 38 THR HA H 38 4.153 4.153 4.359 -0.206 18749
1222 1 4 . 1 1 38 38 THR C C 38 174.786 174.786 173.666 1.120 18749
1223 1 4 . 1 1 38 38 THR CA C 38 62.673 62.673 62.203 0.470 18749
1224 1 4 . 1 1 38 38 THR CB C 38 69.792 69.792 69.190 0.602 18749
1225 1 4 . 1 1 38 38 THR H H 38 8.321 8.321 8.372 -0.051 18749
1226 1 4 . 1 1 39 39 TYR N N 39 121.098 121.098 126.838 -5.740 18749
1227 1 4 . 1 1 39 39 TYR C C 39 175.992 175.992 175.261 0.731 18749
1228 1 4 . 1 1 39 39 TYR CA C 39 58.083 58.083 58.694 -0.611 18749
1229 1 4 . 1 1 39 39 TYR CB C 39 38.309 38.309 39.341 -1.032 18749
1230 1 4 . 1 1 39 39 TYR H H 39 7.920 7.920 8.753 -0.833 18749
1231 1 4 . 1 1 40 40 THR N N 40 113.380 113.380 121.945 -8.565 18749
1232 1 4 . 1 1 40 40 THR C C 40 174.356 174.356 172.942 1.414 18749
1233 1 4 . 1 1 40 40 THR CA C 40 61.801 61.801 60.685 1.115 18749
1234 1 4 . 1 1 40 40 THR CB C 40 69.965 69.965 69.642 0.323 18749
1235 1 4 . 1 1 40 40 THR H H 40 7.885 7.885 7.685 0.200 18749
1236 1 4 . 1 1 41 41 ASP N N 41 121.537 121.537 125.935 -4.398 18749
1237 1 4 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.593 -0.125 18749
1238 1 4 . 1 1 41 41 ASP C C 41 176.338 176.338 175.726 0.612 18749
1239 1 4 . 1 1 41 41 ASP CA C 41 54.674 54.674 54.216 0.458 18749
1240 1 4 . 1 1 41 41 ASP CB C 41 40.996 40.996 39.693 1.303 18749
1241 1 4 . 1 1 41 41 ASP H H 41 8.184 8.184 8.426 -0.242 18749
1242 1 4 . 1 1 42 42 ARG N N 42 119.745 119.745 123.450 -3.705 18749
1243 1 4 . 1 1 42 42 ARG HA H 42 4.171 4.171 4.219 -0.048 18749
1244 1 4 . 1 1 42 42 ARG C C 42 175.906 175.906 175.628 0.278 18749
1245 1 4 . 1 1 42 42 ARG CA C 42 56.644 56.644 56.156 0.488 18749
1246 1 4 . 1 1 42 42 ARG CB C 42 30.788 30.788 30.795 -0.007 18749
1247 1 4 . 1 1 42 42 ARG H H 42 7.997 7.997 7.848 0.149 18749
1248 1 4 . 1 1 43 43 ASP N N 43 119.314 119.314 125.284 -5.970 18749
1249 1 4 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.517 -0.014 18749
1250 1 4 . 1 1 43 43 ASP C C 43 175.599 175.599 176.156 -0.557 18749
1251 1 4 . 1 1 43 43 ASP CA C 43 54.368 54.368 53.832 0.536 18749
1252 1 4 . 1 1 43 43 ASP CB C 43 41.071 41.071 41.264 -0.193 18749
1253 1 4 . 1 1 43 43 ASP H H 43 8.181 8.181 8.459 -0.278 18749
1254 1 4 . 1 1 44 44 TYR N N 44 120.178 120.178 125.001 -4.823 18749
1255 1 4 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.166 0.158 18749
1256 1 4 . 1 1 44 44 TYR C C 44 175.321 175.321 175.800 -0.479 18749
1257 1 4 . 1 1 44 44 TYR CA C 44 58.553 58.553 60.039 -1.486 18749
1258 1 4 . 1 1 44 44 TYR CB C 44 38.614 38.614 38.895 -0.281 18749
1259 1 4 . 1 1 44 44 TYR H H 44 7.806 7.806 8.403 -0.597 18749
1260 1 4 . 1 1 45 45 LYS N N 45 123.353 123.353 120.822 2.531 18749
1261 1 4 . 1 1 45 45 LYS CA C 45 55.745 55.745 56.138 -0.393 18749
1262 1 4 . 1 1 45 45 LYS CB C 45 33.789 33.789 32.407 1.382 18749
1263 1 4 . 1 1 45 45 LYS H H 45 7.731 7.731 7.989 -0.258 18749
1264 1 4 . 1 1 47 47 CYS N N 47 125.060 125.060 122.917 2.143 18749
1265 1 4 . 1 1 47 47 CYS H H 47 8.811 8.811 8.740 0.071 18749
1266 1 4 . 1 1 48 48 GLU C C 48 178.473 178.473 174.238 4.235 18749
1267 1 4 . 1 1 49 49 SER N N 49 120.359 120.359 115.286 5.073 18749
1268 1 4 . 1 1 49 49 SER C C 49 172.276 172.276 172.494 -0.218 18749
1269 1 4 . 1 1 49 49 SER CA C 49 61.125 61.125 57.664 3.461 18749
1270 1 4 . 1 1 49 49 SER CB C 49 63.224 63.224 65.002 -1.778 18749
1271 1 4 . 1 1 49 49 SER H H 49 8.737 8.737 8.310 0.427 18749
1272 1 4 . 1 1 50 50 TYR N N 50 110.556 110.556 120.219 -9.663 18749
1273 1 4 . 1 1 50 50 TYR C C 50 175.624 175.624 174.780 0.844 18749
1274 1 4 . 1 1 50 50 TYR CA C 50 59.205 59.205 58.075 1.130 18749
1275 1 4 . 1 1 50 50 TYR CB C 50 38.197 38.197 41.381 -3.184 18749
1276 1 4 . 1 1 50 50 TYR H H 50 6.326 6.326 8.493 -2.167 18749
1277 1 4 . 1 1 51 51 HIS N N 51 119.871 119.871 119.099 0.772 18749
1278 1 4 . 1 1 51 51 HIS HA H 51 3.757 3.757 4.666 -0.909 18749
1279 1 4 . 1 1 51 51 HIS C C 51 176.588 176.588 176.586 0.002 18749
1280 1 4 . 1 1 51 51 HIS CA C 51 59.323 59.323 56.405 2.918 18749
1281 1 4 . 1 1 51 51 HIS CB C 51 27.514 27.514 30.385 -2.871 18749
1282 1 4 . 1 1 51 51 HIS H H 51 5.890 5.890 8.582 -2.692 18749
1283 1 4 . 1 1 52 52 LYS N N 52 122.505 122.505 118.940 3.565 18749
1284 1 4 . 1 1 52 52 LYS C C 52 178.958 178.958 176.854 2.104 18749
1285 1 4 . 1 1 52 52 LYS CA C 52 58.922 58.922 57.983 0.939 18749
1286 1 4 . 1 1 52 52 LYS CB C 52 31.291 31.291 32.458 -1.167 18749
1287 1 4 . 1 1 52 52 LYS H H 52 7.660 7.660 8.419 -0.759 18749
1288 1 4 . 1 1 53 53 CYS N N 53 117.268 117.268 117.581 -0.313 18749
1289 1 4 . 1 1 53 53 CYS C C 53 179.241 179.241 175.346 3.895 18749
1290 1 4 . 1 1 53 53 CYS CA C 53 64.802 64.802 58.241 6.561 18749
1291 1 4 . 1 1 53 53 CYS CB C 53 30.906 30.906 29.556 1.350 18749
1292 1 4 . 1 1 53 53 CYS H H 53 8.256 8.256 8.100 0.156 18749
1293 1 4 . 1 1 54 54 SER N N 54 111.716 111.716 121.479 -9.763 18749
1294 1 4 . 1 1 54 54 SER HA H 54 3.839 3.839 4.311 -0.472 18749
1295 1 4 . 1 1 54 54 SER C C 54 175.922 175.922 174.424 1.498 18749
1296 1 4 . 1 1 54 54 SER CA C 54 60.263 60.263 60.178 0.085 18749
1297 1 4 . 1 1 54 54 SER CB C 54 64.120 64.120 62.914 1.206 18749
1298 1 4 . 1 1 54 54 SER H H 54 7.671 7.671 8.669 -0.998 18749
1299 1 4 . 1 1 55 55 ASP N N 55 119.056 119.056 117.655 1.401 18749
1300 1 4 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.212 0.083 18749
1301 1 4 . 1 1 55 55 ASP C C 55 178.101 178.101 176.961 1.140 18749
1302 1 4 . 1 1 55 55 ASP CA C 55 57.387 57.387 56.174 1.213 18749
1303 1 4 . 1 1 55 55 ASP CB C 55 40.315 40.315 39.343 0.972 18749
1304 1 4 . 1 1 55 55 ASP H H 55 7.438 7.438 7.865 -0.427 18749
1305 1 4 . 1 1 56 56 LEU N N 56 118.324 118.324 119.314 -0.990 18749
1306 1 4 . 1 1 56 56 LEU HA H 56 4.168 4.168 4.147 0.021 18749
1307 1 4 . 1 1 56 56 LEU C C 56 176.250 176.250 177.447 -1.197 18749
1308 1 4 . 1 1 56 56 LEU CA C 56 55.333 55.333 56.638 -1.305 18749
1309 1 4 . 1 1 56 56 LEU CB C 56 43.173 43.173 42.236 0.937 18749
1310 1 4 . 1 1 56 56 LEU H H 56 7.565 7.565 7.848 -0.283 18749
1311 1 4 . 1 1 57 57 CYS N N 57 124.095 124.095 117.363 6.732 18749
1312 1 4 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.738 -0.483 18749
1313 1 4 . 1 1 57 57 CYS C C 57 177.371 177.371 175.191 2.180 18749
1314 1 4 . 1 1 57 57 CYS CA C 57 59.255 59.255 57.660 1.595 18749
1315 1 4 . 1 1 57 57 CYS CB C 57 30.128 30.128 28.052 2.076 18749
1316 1 4 . 1 1 57 57 CYS H H 57 7.265 7.265 8.105 -0.840 18749
1317 1 4 . 1 1 58 58 GLN N N 58 131.839 131.839 126.228 5.611 18749
1318 1 4 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.045 -0.122 18749
1319 1 4 . 1 1 58 58 GLN C C 58 178.435 178.435 177.937 0.498 18749
1320 1 4 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.457 0.831 18749
1321 1 4 . 1 1 58 58 GLN CB C 58 28.195 28.195 28.633 -0.438 18749
1322 1 4 . 1 1 58 58 GLN H H 58 9.451 9.451 8.903 0.548 18749
1323 1 4 . 1 1 59 59 TYR N N 59 124.026 124.026 118.939 5.087 18749
1324 1 4 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.510 -0.081 18749
1325 1 4 . 1 1 59 59 TYR C C 59 178.722 178.722 177.271 1.451 18749
1326 1 4 . 1 1 59 59 TYR CA C 59 60.295 60.295 60.908 -0.614 18749
1327 1 4 . 1 1 59 59 TYR CB C 59 38.591 38.591 38.182 0.409 18749
1328 1 4 . 1 1 59 59 TYR H H 59 8.699 8.699 8.216 0.483 18749
1329 1 4 . 1 1 60 60 CYS N N 60 122.268 122.268 117.049 5.219 18749
1330 1 4 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.610 -0.293 18749
1331 1 4 . 1 1 60 60 CYS C C 60 176.011 176.011 176.759 -0.748 18749
1332 1 4 . 1 1 60 60 CYS CA C 60 64.499 64.499 60.956 3.543 18749
1333 1 4 . 1 1 60 60 CYS CB C 60 30.203 30.203 25.799 4.404 18749
1334 1 4 . 1 1 60 60 CYS H H 60 8.432 8.432 7.953 0.479 18749
1335 1 4 . 1 1 61 61 ARG N N 61 116.449 116.449 119.305 -2.856 18749
1336 1 4 . 1 1 61 61 ARG HA H 61 3.895 3.895 3.925 -0.030 18749
1337 1 4 . 1 1 61 61 ARG C C 61 176.965 176.965 177.530 -0.565 18749
1338 1 4 . 1 1 61 61 ARG CA C 61 58.336 58.336 58.704 -0.368 18749
1339 1 4 . 1 1 61 61 ARG CB C 61 29.771 29.771 29.951 -0.180 18749
1340 1 4 . 1 1 61 61 ARG H H 61 7.265 7.265 7.601 -0.336 18749
1341 1 4 . 1 1 62 62 TYR N N 62 117.341 117.341 115.918 1.423 18749
1342 1 4 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.264 0.205 18749
1343 1 4 . 1 1 62 62 TYR C C 62 175.562 175.562 176.854 -1.292 18749
1344 1 4 . 1 1 62 62 TYR CA C 62 58.566 58.566 60.142 -1.576 18749
1345 1 4 . 1 1 62 62 TYR CB C 62 39.182 39.182 39.544 -0.362 18749
1346 1 4 . 1 1 62 62 TYR H H 62 7.259 7.259 7.541 -0.282 18749
1347 1 4 . 1 1 63 63 GLN N N 63 121.663 121.663 117.640 4.023 18749
1348 1 4 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.535 -0.325 18749
1349 1 4 . 1 1 63 63 GLN C C 63 173.076 173.076 175.004 -1.928 18749
1350 1 4 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.786 -0.294 18749
1351 1 4 . 1 1 63 63 GLN CB C 63 29.401 29.401 31.579 -2.178 18749
1352 1 4 . 1 1 63 63 GLN H H 63 7.856 7.856 7.701 0.155 18749
1353 1 4 . 1 1 64 64 LYS N N 64 127.668 127.668 125.309 2.359 18749
1354 1 4 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.093 0.208 18749
1355 1 4 . 1 1 64 64 LYS C C 64 177.301 177.301 176.058 1.243 18749
1356 1 4 . 1 1 64 64 LYS CA C 64 58.182 58.182 57.314 0.868 18749
1357 1 4 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.503 0.011 18749
1358 1 4 . 1 1 64 64 LYS H H 64 8.204 8.204 8.636 -0.432 18749
1359 1 4 . 1 1 65 65 ASP N N 65 131.040 131.040 122.842 8.198 18749
1360 1 4 . 1 1 65 65 ASP C C 65 174.529 174.529 177.010 -2.481 18749
1361 1 4 . 1 1 65 65 ASP CA C 65 53.232 53.232 53.833 -0.601 18749
1362 1 4 . 1 1 65 65 ASP CB C 65 41.222 41.222 40.631 0.591 18749
1363 1 4 . 1 1 65 65 ASP H H 65 8.677 8.677 8.402 0.275 18749
1364 1 4 . 1 1 66 66 LEU N N 66 125.688 125.688 120.341 5.347 18749
1365 1 4 . 1 1 66 66 LEU HA H 66 4.088 4.088 4.021 0.067 18749
1366 1 4 . 1 1 66 66 LEU C C 66 178.676 178.676 177.038 1.638 18749
1367 1 4 . 1 1 66 66 LEU CA C 66 57.836 57.836 55.936 1.900 18749
1368 1 4 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.571 1.625 18749
1369 1 4 . 1 1 66 66 LEU H H 66 8.733 8.733 7.947 0.786 18749
1370 1 4 . 1 1 67 67 ALA N N 67 119.916 119.916 120.769 -0.853 18749
1371 1 4 . 1 1 67 67 ALA C C 67 180.513 180.513 178.636 1.877 18749
1372 1 4 . 1 1 67 67 ALA CA C 67 55.151 55.151 53.767 1.384 18749
1373 1 4 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.894 -0.776 18749
1374 1 4 . 1 1 67 67 ALA H H 67 8.076 8.076 7.639 0.437 18749
1375 1 4 . 1 1 68 68 ILE N N 68 119.735 119.735 115.209 4.526 18749
1376 1 4 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.730 -0.071 18749
1377 1 4 . 1 1 68 68 ILE C C 68 177.647 177.647 176.592 1.055 18749
1378 1 4 . 1 1 68 68 ILE CA C 68 63.267 63.267 63.532 -0.265 18749
1379 1 4 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.595 -0.257 18749
1380 1 4 . 1 1 68 68 ILE H H 68 7.342 7.342 7.108 0.234 18749
1381 1 4 . 1 1 69 69 HIS N N 69 119.542 119.542 119.840 -0.298 18749
1382 1 4 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.254 0.049 18749
1383 1 4 . 1 1 69 69 HIS CA C 69 59.224 59.224 56.114 3.110 18749
1384 1 4 . 1 1 69 69 HIS CB C 69 28.569 28.569 30.252 -1.683 18749
1385 1 4 . 1 1 69 69 HIS H H 69 6.608 6.608 7.974 -1.366 18749
1386 1 4 . 1 1 84 84 GLY C C 84 174.391 174.391 173.904 0.487 18749
1387 1 4 . 1 1 84 84 GLY CA C 84 45.472 45.472 45.121 0.351 18749
1388 1 4 . 1 1 85 85 THR N N 85 112.734 112.734 114.703 -1.969 18749
1389 1 4 . 1 1 85 85 THR C C 85 175.056 175.056 175.609 -0.553 18749
1390 1 4 . 1 1 85 85 THR CA C 85 61.980 61.980 61.895 0.085 18749
1391 1 4 . 1 1 85 85 THR CB C 85 69.868 69.868 69.460 0.408 18749
1392 1 4 . 1 1 85 85 THR H H 85 8.012 8.012 8.086 -0.074 18749
1393 1 4 . 1 1 86 86 GLY N N 86 111.173 111.173 108.332 2.841 18749
1394 1 4 . 1 1 86 86 GLY C C 86 172.909 172.909 173.599 -0.690 18749
1395 1 4 . 1 1 86 86 GLY CA C 86 45.268 45.268 44.588 0.680 18749
1396 1 4 . 1 1 86 86 GLY H H 86 8.276 8.276 8.648 -0.372 18749
1397 1 5 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.318 0.073 18749
1398 1 5 . 1 1 4 4 PRO C C 4 176.097 176.097 175.649 0.448 18749
1399 1 5 . 1 1 4 4 PRO CA C 4 62.965 62.965 63.231 -0.266 18749
1400 1 5 . 1 1 4 4 PRO CB C 4 31.902 31.902 32.113 -0.211 18749
1401 1 5 . 1 1 5 5 VAL N N 5 121.993 121.993 121.455 0.538 18749
1402 1 5 . 1 1 5 5 VAL HA H 5 4.341 4.341 4.279 0.062 18749
1403 1 5 . 1 1 5 5 VAL CA C 5 59.763 59.763 59.276 0.487 18749
1404 1 5 . 1 1 5 5 VAL CB C 5 32.567 32.567 31.539 1.028 18749
1405 1 5 . 1 1 5 5 VAL H H 5 8.149 8.149 8.122 0.027 18749
1406 1 5 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.104 0.152 18749
1407 1 5 . 1 1 6 6 PRO C C 6 176.167 176.167 176.234 -0.067 18749
1408 1 5 . 1 1 6 6 PRO CA C 6 63.138 63.138 63.729 -0.591 18749
1409 1 5 . 1 1 6 6 PRO CB C 6 31.877 31.877 31.529 0.348 18749
1410 1 5 . 1 1 7 7 TYR N N 7 121.107 121.107 118.324 2.783 18749
1411 1 5 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.638 -0.195 18749
1412 1 5 . 1 1 7 7 TYR CA C 7 55.602 55.602 54.943 0.659 18749
1413 1 5 . 1 1 7 7 TYR CB C 7 38.212 38.212 36.732 1.480 18749
1414 1 5 . 1 1 7 7 TYR H H 7 7.945 7.945 6.555 1.390 18749
1415 1 5 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.419 -0.131 18749
1416 1 5 . 1 1 8 8 PRO C C 8 176.122 176.122 175.759 0.363 18749
1417 1 5 . 1 1 8 8 PRO CA C 8 62.983 62.983 62.853 0.130 18749
1418 1 5 . 1 1 8 8 PRO CB C 8 31.913 31.913 32.640 -0.727 18749
1419 1 5 . 1 1 9 9 ASP N N 9 122.332 122.332 118.617 3.715 18749
1420 1 5 . 1 1 9 9 ASP HA H 9 4.466 4.466 4.885 -0.419 18749
1421 1 5 . 1 1 9 9 ASP CA C 9 52.317 52.317 52.664 -0.347 18749
1422 1 5 . 1 1 9 9 ASP CB C 9 41.371 41.371 40.650 0.721 18749
1423 1 5 . 1 1 9 9 ASP H H 9 8.204 8.204 8.381 -0.177 18749
1424 1 5 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.427 -0.118 18749
1425 1 5 . 1 1 10 10 PRO C C 10 177.003 177.003 177.082 -0.079 18749
1426 1 5 . 1 1 10 10 PRO CA C 10 63.635 63.635 64.278 -0.643 18749
1427 1 5 . 1 1 10 10 PRO CB C 10 32.207 32.207 31.844 0.363 18749
1428 1 5 . 1 1 11 11 LEU N N 11 120.566 120.566 117.097 3.469 18749
1429 1 5 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.150 0.071 18749
1430 1 5 . 1 1 11 11 LEU C C 11 177.277 177.277 176.859 0.418 18749
1431 1 5 . 1 1 11 11 LEU CA C 11 54.938 54.938 55.443 -0.505 18749
1432 1 5 . 1 1 11 11 LEU CB C 11 41.908 41.908 42.319 -0.411 18749
1433 1 5 . 1 1 11 11 LEU H H 11 8.295 8.295 7.827 0.468 18749
1434 1 5 . 1 1 12 12 GLU N N 12 122.415 122.415 114.799 7.616 18749
1435 1 5 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.154 0.230 18749
1436 1 5 . 1 1 12 12 GLU CA C 12 54.384 54.384 55.909 -1.525 18749
1437 1 5 . 1 1 12 12 GLU CB C 12 29.988 29.988 27.776 2.212 18749
1438 1 5 . 1 1 12 12 GLU H H 12 7.857 7.857 7.944 -0.087 18749
1439 1 5 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.391 -0.142 18749
1440 1 5 . 1 1 13 13 PRO C C 13 177.132 177.132 177.074 0.058 18749
1441 1 5 . 1 1 13 13 PRO CA C 13 63.458 63.458 63.098 0.360 18749
1442 1 5 . 1 1 13 13 PRO CB C 13 31.862 31.862 32.347 -0.485 18749
1443 1 5 . 1 1 14 14 ARG N N 14 121.214 121.214 123.518 -2.304 18749
1444 1 5 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.093 0.066 18749
1445 1 5 . 1 1 14 14 ARG CA C 14 56.162 56.162 57.414 -1.252 18749
1446 1 5 . 1 1 14 14 ARG CB C 14 30.632 30.632 30.527 0.104 18749
1447 1 5 . 1 1 14 14 ARG H H 14 8.337 8.337 8.552 -0.215 18749
1448 1 5 . 1 1 15 15 GLY N N 15 109.686 109.686 106.394 3.292 18749
1449 1 5 . 1 1 15 15 GLY C C 15 174.130 174.130 173.250 0.880 18749
1450 1 5 . 1 1 15 15 GLY CA C 15 45.312 45.312 44.522 0.790 18749
1451 1 5 . 1 1 15 15 GLY H H 15 8.280 8.280 7.844 0.436 18749
1452 1 5 . 1 1 16 16 GLY N N 16 108.011 108.011 105.894 2.117 18749
1453 1 5 . 1 1 16 16 GLY C C 16 172.056 172.056 173.668 -1.612 18749
1454 1 5 . 1 1 16 16 GLY CA C 16 44.895 44.895 45.170 -0.275 18749
1455 1 5 . 1 1 16 16 GLY H H 16 7.764 7.764 8.318 -0.554 18749
1456 1 5 . 1 1 17 17 LYS N N 17 117.049 117.049 122.338 -5.289 18749
1457 1 5 . 1 1 17 17 LYS HA H 17 4.135 4.135 4.131 0.004 18749
1458 1 5 . 1 1 17 17 LYS C C 17 175.259 175.259 177.234 -1.975 18749
1459 1 5 . 1 1 17 17 LYS CA C 17 53.914 53.914 58.798 -4.884 18749
1460 1 5 . 1 1 17 17 LYS CB C 17 35.219 35.219 32.784 2.435 18749
1461 1 5 . 1 1 17 17 LYS H H 17 7.347 7.347 8.832 -1.485 18749
1462 1 5 . 1 1 18 18 HIS N N 18 120.426 120.426 116.040 4.386 18749
1463 1 5 . 1 1 18 18 HIS C C 18 175.419 175.419 175.176 0.243 18749
1464 1 5 . 1 1 18 18 HIS CA C 18 57.086 57.086 58.054 -0.968 18749
1465 1 5 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.298 0.194 18749
1466 1 5 . 1 1 19 19 ILE N N 19 126.193 126.193 116.666 9.527 18749
1467 1 5 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.288 0.166 18749
1468 1 5 . 1 1 19 19 ILE C C 19 175.138 175.138 175.043 0.095 18749
1469 1 5 . 1 1 19 19 ILE CA C 19 59.189 59.189 59.312 -0.123 18749
1470 1 5 . 1 1 19 19 ILE CB C 19 41.816 41.816 37.482 4.334 18749
1471 1 5 . 1 1 19 19 ILE H H 19 8.180 8.180 7.888 0.292 18749
1472 1 5 . 1 1 20 20 CYS N N 20 127.805 127.805 127.269 0.536 18749
1473 1 5 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.468 0.447 18749
1474 1 5 . 1 1 20 20 CYS C C 20 174.996 174.996 176.323 -1.327 18749
1475 1 5 . 1 1 20 20 CYS CA C 20 57.370 57.370 59.211 -1.841 18749
1476 1 5 . 1 1 20 20 CYS CB C 20 32.008 32.008 29.568 2.440 18749
1477 1 5 . 1 1 20 20 CYS H H 20 8.382 8.382 8.661 -0.279 18749
1478 1 5 . 1 1 21 21 ALA N N 21 135.406 135.406 130.403 5.003 18749
1479 1 5 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.275 -0.113 18749
1480 1 5 . 1 1 21 21 ALA C C 21 177.885 177.885 177.602 0.283 18749
1481 1 5 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.434 0.058 18749
1482 1 5 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.843 0.782 18749
1483 1 5 . 1 1 21 21 ALA H H 21 8.742 8.742 8.852 -0.110 18749
1484 1 5 . 1 1 22 22 ILE N N 22 119.063 119.063 116.303 2.760 18749
1485 1 5 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.123 -0.262 18749
1486 1 5 . 1 1 22 22 ILE C C 22 176.914 176.914 177.192 -0.278 18749
1487 1 5 . 1 1 22 22 ILE CA C 22 63.218 63.218 62.742 0.475 18749
1488 1 5 . 1 1 22 22 ILE CB C 22 37.371 37.371 39.181 -1.810 18749
1489 1 5 . 1 1 22 22 ILE H H 22 8.150 8.150 7.438 0.712 18749
1490 1 5 . 1 1 23 23 CYS N N 23 114.362 114.362 118.204 -3.842 18749
1491 1 5 . 1 1 23 23 CYS C C 23 176.216 176.216 176.241 -0.025 18749
1492 1 5 . 1 1 23 23 CYS CA C 23 57.878 57.878 59.860 -1.982 18749
1493 1 5 . 1 1 23 23 CYS CB C 23 30.456 30.456 26.745 3.711 18749
1494 1 5 . 1 1 23 23 CYS H H 23 7.238 7.238 8.133 -0.895 18749
1495 1 5 . 1 1 24 24 GLY N N 24 111.898 111.898 109.270 2.628 18749
1496 1 5 . 1 1 24 24 GLY C C 24 173.367 173.367 173.972 -0.605 18749
1497 1 5 . 1 1 24 24 GLY CA C 24 46.222 46.222 46.096 0.126 18749
1498 1 5 . 1 1 24 24 GLY H H 24 7.566 7.566 8.342 -0.776 18749
1499 1 5 . 1 1 25 25 ASN N N 25 117.684 117.684 116.352 1.332 18749
1500 1 5 . 1 1 25 25 ASN HA H 25 4.763 4.763 4.831 -0.068 18749
1501 1 5 . 1 1 25 25 ASN C C 25 174.631 174.631 173.803 0.828 18749
1502 1 5 . 1 1 25 25 ASN CA C 25 51.901 51.901 52.460 -0.559 18749
1503 1 5 . 1 1 25 25 ASN CB C 25 40.666 40.666 39.787 0.879 18749
1504 1 5 . 1 1 25 25 ASN H H 25 7.781 7.781 8.169 -0.388 18749
1505 1 5 . 1 1 26 26 ASN N N 26 118.294 118.294 119.021 -0.727 18749
1506 1 5 . 1 1 26 26 ASN HA H 26 4.570 4.570 4.765 -0.195 18749
1507 1 5 . 1 1 26 26 ASN C C 26 175.502 175.502 174.971 0.531 18749
1508 1 5 . 1 1 26 26 ASN CA C 26 53.980 53.980 53.166 0.814 18749
1509 1 5 . 1 1 26 26 ASN CB C 26 38.066 38.066 39.181 -1.115 18749
1510 1 5 . 1 1 26 26 ASN H H 26 8.562 8.562 7.845 0.717 18749
1511 1 5 . 1 1 27 27 ALA N N 27 126.538 126.538 121.787 4.751 18749
1512 1 5 . 1 1 27 27 ALA C C 27 177.920 177.920 175.364 2.556 18749
1513 1 5 . 1 1 27 27 ALA CA C 27 53.567 53.567 53.402 0.165 18749
1514 1 5 . 1 1 27 27 ALA CB C 27 18.852 18.852 17.540 1.312 18749
1515 1 5 . 1 1 27 27 ALA H H 27 8.217 8.217 8.699 -0.482 18749
1516 1 5 . 1 1 28 28 GLU N N 28 112.911 112.911 117.250 -4.339 18749
1517 1 5 . 1 1 28 28 GLU HA H 28 4.099 4.099 4.239 -0.140 18749
1518 1 5 . 1 1 28 28 GLU C C 28 177.423 177.423 174.841 2.582 18749
1519 1 5 . 1 1 28 28 GLU CA C 28 57.783 57.783 56.634 1.149 18749
1520 1 5 . 1 1 28 28 GLU CB C 28 30.926 30.926 30.959 -0.033 18749
1521 1 5 . 1 1 28 28 GLU H H 28 8.608 8.608 8.571 0.037 18749
1522 1 5 . 1 1 29 29 ASP N N 29 116.209 116.209 119.210 -3.001 18749
1523 1 5 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.448 -0.014 18749
1524 1 5 . 1 1 29 29 ASP C C 29 174.486 174.486 175.461 -0.975 18749
1525 1 5 . 1 1 29 29 ASP CA C 29 55.349 55.349 54.116 1.233 18749
1526 1 5 . 1 1 29 29 ASP CB C 29 42.596 42.596 41.606 0.990 18749
1527 1 5 . 1 1 29 29 ASP H H 29 7.272 7.272 8.195 -0.923 18749
1528 1 5 . 1 1 30 30 TYR N N 30 116.344 116.344 121.512 -5.168 18749
1529 1 5 . 1 1 30 30 TYR CA C 30 57.018 57.018 58.109 -1.091 18749
1530 1 5 . 1 1 30 30 TYR CB C 30 43.459 43.459 39.174 4.285 18749
1531 1 5 . 1 1 30 30 TYR H H 30 7.281 7.281 8.425 -1.144 18749
1532 1 5 . 1 1 31 31 LYS C C 31 177.018 177.018 176.009 1.009 18749
1533 1 5 . 1 1 32 32 HIS N N 32 116.170 116.170 118.349 -2.179 18749
1534 1 5 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.585 -0.783 18749
1535 1 5 . 1 1 32 32 HIS C C 32 173.979 173.979 176.937 -2.958 18749
1536 1 5 . 1 1 32 32 HIS CA C 32 55.136 55.136 59.040 -3.904 18749
1537 1 5 . 1 1 32 32 HIS CB C 32 33.128 33.128 31.038 2.090 18749
1538 1 5 . 1 1 32 32 HIS H H 32 7.691 7.691 8.101 -0.410 18749
1539 1 5 . 1 1 33 33 THR N N 33 108.605 108.605 110.804 -2.199 18749
1540 1 5 . 1 1 33 33 THR HA H 33 4.424 4.424 4.300 0.124 18749
1541 1 5 . 1 1 33 33 THR C C 33 175.107 175.107 174.839 0.268 18749
1542 1 5 . 1 1 33 33 THR CA C 33 60.218 60.218 63.634 -3.416 18749
1543 1 5 . 1 1 33 33 THR CB C 33 69.476 69.476 68.831 0.645 18749
1544 1 5 . 1 1 33 33 THR H H 33 8.051 8.051 8.165 -0.114 18749
1545 1 5 . 1 1 34 34 ASP N N 34 121.404 121.404 120.079 1.325 18749
1546 1 5 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.588 0.002 18749
1547 1 5 . 1 1 34 34 ASP C C 34 175.334 175.334 175.885 -0.551 18749
1548 1 5 . 1 1 34 34 ASP CA C 34 53.564 53.564 55.712 -2.148 18749
1549 1 5 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.765 -0.345 18749
1550 1 5 . 1 1 34 34 ASP H H 34 7.973 7.973 8.514 -0.541 18749
1551 1 5 . 1 1 35 35 MET N N 35 119.898 119.898 118.145 1.753 18749
1552 1 5 . 1 1 35 35 MET HA H 35 4.398 4.398 4.674 -0.276 18749
1553 1 5 . 1 1 35 35 MET C C 35 174.846 174.846 174.737 0.109 18749
1554 1 5 . 1 1 35 35 MET CA C 35 55.631 55.631 54.184 1.447 18749
1555 1 5 . 1 1 35 35 MET CB C 35 33.382 33.382 36.313 -2.931 18749
1556 1 5 . 1 1 35 35 MET H H 35 7.585 7.585 7.412 0.173 18749
1557 1 5 . 1 1 36 36 ASP N N 36 123.631 123.631 122.373 1.258 18749
1558 1 5 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.617 -0.131 18749
1559 1 5 . 1 1 36 36 ASP C C 36 176.456 176.456 175.765 0.691 18749
1560 1 5 . 1 1 36 36 ASP CA C 36 54.279 54.279 54.174 0.105 18749
1561 1 5 . 1 1 36 36 ASP CB C 36 41.156 41.156 40.217 0.939 18749
1562 1 5 . 1 1 36 36 ASP H H 36 8.360 8.360 8.483 -0.123 18749
1563 1 5 . 1 1 37 37 LEU N N 37 123.812 123.812 125.958 -2.146 18749
1564 1 5 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.504 -0.201 18749
1565 1 5 . 1 1 37 37 LEU C C 37 177.554 177.554 178.055 -0.501 18749
1566 1 5 . 1 1 37 37 LEU CA C 37 55.317 55.317 55.077 0.240 18749
1567 1 5 . 1 1 37 37 LEU CB C 37 41.945 41.945 42.702 -0.756 18749
1568 1 5 . 1 1 37 37 LEU H H 37 8.224 8.224 8.280 -0.056 18749
1569 1 5 . 1 1 38 38 THR N N 38 113.723 113.723 115.685 -1.962 18749
1570 1 5 . 1 1 38 38 THR HA H 38 4.153 4.153 4.049 0.104 18749
1571 1 5 . 1 1 38 38 THR C C 38 174.786 174.786 175.244 -0.458 18749
1572 1 5 . 1 1 38 38 THR CA C 38 62.673 62.673 65.074 -2.401 18749
1573 1 5 . 1 1 38 38 THR CB C 38 69.792 69.792 68.904 0.888 18749
1574 1 5 . 1 1 38 38 THR H H 38 8.321 8.321 8.452 -0.131 18749
1575 1 5 . 1 1 39 39 TYR N N 39 121.098 121.098 122.415 -1.317 18749
1576 1 5 . 1 1 39 39 TYR C C 39 175.992 175.992 176.014 -0.022 18749
1577 1 5 . 1 1 39 39 TYR CA C 39 58.083 58.083 56.881 1.202 18749
1578 1 5 . 1 1 39 39 TYR CB C 39 38.309 38.309 36.986 1.323 18749
1579 1 5 . 1 1 39 39 TYR H H 39 7.920 7.920 8.109 -0.189 18749
1580 1 5 . 1 1 40 40 THR N N 40 113.380 113.380 116.176 -2.796 18749
1581 1 5 . 1 1 40 40 THR C C 40 174.356 174.356 174.725 -0.369 18749
1582 1 5 . 1 1 40 40 THR CA C 40 61.801 61.801 63.573 -1.772 18749
1583 1 5 . 1 1 40 40 THR CB C 40 69.965 69.965 69.190 0.775 18749
1584 1 5 . 1 1 40 40 THR H H 40 7.885 7.885 7.792 0.093 18749
1585 1 5 . 1 1 41 41 ASP N N 41 121.537 121.537 122.055 -0.518 18749
1586 1 5 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.661 -0.193 18749
1587 1 5 . 1 1 41 41 ASP C C 41 176.338 176.338 175.446 0.892 18749
1588 1 5 . 1 1 41 41 ASP CA C 41 54.674 54.674 54.224 0.451 18749
1589 1 5 . 1 1 41 41 ASP CB C 41 40.996 40.996 41.157 -0.161 18749
1590 1 5 . 1 1 41 41 ASP H H 41 8.184 8.184 8.433 -0.249 18749
1591 1 5 . 1 1 42 42 ARG N N 42 119.745 119.745 125.232 -5.487 18749
1592 1 5 . 1 1 42 42 ARG HA H 42 4.171 4.171 4.415 -0.244 18749
1593 1 5 . 1 1 42 42 ARG C C 42 175.906 175.906 174.614 1.292 18749
1594 1 5 . 1 1 42 42 ARG CA C 42 56.644 56.644 55.128 1.516 18749
1595 1 5 . 1 1 42 42 ARG CB C 42 30.788 30.788 31.805 -1.017 18749
1596 1 5 . 1 1 42 42 ARG H H 42 7.997 7.997 8.317 -0.320 18749
1597 1 5 . 1 1 43 43 ASP N N 43 119.314 119.314 124.067 -4.753 18749
1598 1 5 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.530 -0.027 18749
1599 1 5 . 1 1 43 43 ASP C C 43 175.599 175.599 175.645 -0.046 18749
1600 1 5 . 1 1 43 43 ASP CA C 43 54.368 54.368 54.329 0.039 18749
1601 1 5 . 1 1 43 43 ASP CB C 43 41.071 41.071 41.081 -0.010 18749
1602 1 5 . 1 1 43 43 ASP H H 43 8.181 8.181 8.378 -0.197 18749
1603 1 5 . 1 1 44 44 TYR N N 44 120.178 120.178 123.490 -3.312 18749
1604 1 5 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.570 -0.246 18749
1605 1 5 . 1 1 44 44 TYR C C 44 175.321 175.321 176.628 -1.307 18749
1606 1 5 . 1 1 44 44 TYR CA C 44 58.553 58.553 57.963 0.590 18749
1607 1 5 . 1 1 44 44 TYR CB C 44 38.614 38.614 39.794 -1.179 18749
1608 1 5 . 1 1 44 44 TYR H H 44 7.806 7.806 8.611 -0.805 18749
1609 1 5 . 1 1 45 45 LYS N N 45 123.353 123.353 122.706 0.647 18749
1610 1 5 . 1 1 45 45 LYS CA C 45 55.745 55.745 58.007 -2.262 18749
1611 1 5 . 1 1 45 45 LYS CB C 45 33.789 33.789 32.615 1.174 18749
1612 1 5 . 1 1 45 45 LYS H H 45 7.731 7.731 8.705 -0.974 18749
1613 1 5 . 1 1 47 47 CYS N N 47 125.060 125.060 117.561 7.499 18749
1614 1 5 . 1 1 47 47 CYS H H 47 8.811 8.811 8.163 0.648 18749
1615 1 5 . 1 1 48 48 GLU C C 48 178.473 178.473 174.928 3.545 18749
1616 1 5 . 1 1 49 49 SER N N 49 120.359 120.359 116.984 3.375 18749
1617 1 5 . 1 1 49 49 SER C C 49 172.276 172.276 171.813 0.463 18749
1618 1 5 . 1 1 49 49 SER CA C 49 61.125 61.125 58.172 2.953 18749
1619 1 5 . 1 1 49 49 SER CB C 49 63.224 63.224 63.944 -0.720 18749
1620 1 5 . 1 1 49 49 SER H H 49 8.737 8.737 7.999 0.738 18749
1621 1 5 . 1 1 50 50 TYR N N 50 110.556 110.556 121.731 -11.175 18749
1622 1 5 . 1 1 50 50 TYR C C 50 175.624 175.624 175.095 0.529 18749
1623 1 5 . 1 1 50 50 TYR CA C 50 59.205 59.205 57.625 1.580 18749
1624 1 5 . 1 1 50 50 TYR CB C 50 38.197 38.197 41.245 -3.048 18749
1625 1 5 . 1 1 50 50 TYR H H 50 6.326 6.326 8.060 -1.734 18749
1626 1 5 . 1 1 51 51 HIS N N 51 119.871 119.871 119.085 0.786 18749
1627 1 5 . 1 1 51 51 HIS HA H 51 3.757 3.757 4.784 -1.027 18749
1628 1 5 . 1 1 51 51 HIS C C 51 176.588 176.588 175.887 0.701 18749
1629 1 5 . 1 1 51 51 HIS CA C 51 59.323 59.323 55.750 3.573 18749
1630 1 5 . 1 1 51 51 HIS CB C 51 27.514 27.514 30.339 -2.825 18749
1631 1 5 . 1 1 51 51 HIS H H 51 5.890 5.890 8.702 -2.812 18749
1632 1 5 . 1 1 52 52 LYS N N 52 122.505 122.505 120.400 2.105 18749
1633 1 5 . 1 1 52 52 LYS C C 52 178.958 178.958 177.342 1.616 18749
1634 1 5 . 1 1 52 52 LYS CA C 52 58.922 58.922 58.434 0.488 18749
1635 1 5 . 1 1 52 52 LYS CB C 52 31.291 31.291 32.500 -1.209 18749
1636 1 5 . 1 1 52 52 LYS H H 52 7.660 7.660 8.506 -0.846 18749
1637 1 5 . 1 1 53 53 CYS N N 53 117.268 117.268 117.988 -0.720 18749
1638 1 5 . 1 1 53 53 CYS C C 53 179.241 179.241 175.666 3.575 18749
1639 1 5 . 1 1 53 53 CYS CA C 53 64.802 64.802 57.855 6.947 18749
1640 1 5 . 1 1 53 53 CYS CB C 53 30.906 30.906 27.542 3.364 18749
1641 1 5 . 1 1 53 53 CYS H H 53 8.256 8.256 7.930 0.326 18749
1642 1 5 . 1 1 54 54 SER N N 54 111.716 111.716 117.300 -5.584 18749
1643 1 5 . 1 1 54 54 SER HA H 54 3.839 3.839 4.453 -0.614 18749
1644 1 5 . 1 1 54 54 SER C C 54 175.922 175.922 174.208 1.714 18749
1645 1 5 . 1 1 54 54 SER CA C 54 60.263 60.263 58.621 1.642 18749
1646 1 5 . 1 1 54 54 SER CB C 54 64.120 64.120 62.048 2.072 18749
1647 1 5 . 1 1 54 54 SER H H 54 7.671 7.671 8.522 -0.851 18749
1648 1 5 . 1 1 55 55 ASP N N 55 119.056 119.056 125.898 -6.842 18749
1649 1 5 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.317 -0.022 18749
1650 1 5 . 1 1 55 55 ASP C C 55 178.101 178.101 177.991 0.110 18749
1651 1 5 . 1 1 55 55 ASP CA C 55 57.387 57.387 57.043 0.344 18749
1652 1 5 . 1 1 55 55 ASP CB C 55 40.315 40.315 41.025 -0.710 18749
1653 1 5 . 1 1 55 55 ASP H H 55 7.438 7.438 8.169 -0.731 18749
1654 1 5 . 1 1 56 56 LEU N N 56 118.324 118.324 117.948 0.376 18749
1655 1 5 . 1 1 56 56 LEU HA H 56 4.168 4.168 4.157 0.011 18749
1656 1 5 . 1 1 56 56 LEU C C 56 176.250 176.250 177.332 -1.082 18749
1657 1 5 . 1 1 56 56 LEU CA C 56 55.333 55.333 56.211 -0.878 18749
1658 1 5 . 1 1 56 56 LEU CB C 56 43.173 43.173 42.022 1.151 18749
1659 1 5 . 1 1 56 56 LEU H H 56 7.565 7.565 7.582 -0.017 18749
1660 1 5 . 1 1 57 57 CYS N N 57 124.095 124.095 118.433 5.662 18749
1661 1 5 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.549 -0.294 18749
1662 1 5 . 1 1 57 57 CYS C C 57 177.371 177.371 175.530 1.841 18749
1663 1 5 . 1 1 57 57 CYS CA C 57 59.255 59.255 57.776 1.479 18749
1664 1 5 . 1 1 57 57 CYS CB C 57 30.128 30.128 27.313 2.815 18749
1665 1 5 . 1 1 57 57 CYS H H 57 7.265 7.265 7.830 -0.565 18749
1666 1 5 . 1 1 58 58 GLN N N 58 131.839 131.839 129.055 2.784 18749
1667 1 5 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.057 -0.134 18749
1668 1 5 . 1 1 58 58 GLN C C 58 178.435 178.435 177.187 1.248 18749
1669 1 5 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.460 0.828 18749
1670 1 5 . 1 1 58 58 GLN CB C 58 28.195 28.195 28.397 -0.202 18749
1671 1 5 . 1 1 58 58 GLN H H 58 9.451 9.451 9.010 0.441 18749
1672 1 5 . 1 1 59 59 TYR N N 59 124.026 124.026 120.518 3.508 18749
1673 1 5 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.590 -0.161 18749
1674 1 5 . 1 1 59 59 TYR C C 59 178.722 178.722 177.060 1.662 18749
1675 1 5 . 1 1 59 59 TYR CA C 59 60.295 60.295 61.220 -0.925 18749
1676 1 5 . 1 1 59 59 TYR CB C 59 38.591 38.591 38.849 -0.258 18749
1677 1 5 . 1 1 59 59 TYR H H 59 8.699 8.699 8.138 0.561 18749
1678 1 5 . 1 1 60 60 CYS N N 60 122.268 122.268 116.346 5.922 18749
1679 1 5 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.696 -0.379 18749
1680 1 5 . 1 1 60 60 CYS C C 60 176.011 176.011 175.830 0.181 18749
1681 1 5 . 1 1 60 60 CYS CA C 60 64.499 64.499 61.039 3.459 18749
1682 1 5 . 1 1 60 60 CYS CB C 60 30.203 30.203 26.247 3.956 18749
1683 1 5 . 1 1 60 60 CYS H H 60 8.432 8.432 7.868 0.564 18749
1684 1 5 . 1 1 61 61 ARG N N 61 116.449 116.449 118.183 -1.734 18749
1685 1 5 . 1 1 61 61 ARG HA H 61 3.895 3.895 3.977 -0.082 18749
1686 1 5 . 1 1 61 61 ARG C C 61 176.965 176.965 177.783 -0.818 18749
1687 1 5 . 1 1 61 61 ARG CA C 61 58.336 58.336 58.619 -0.283 18749
1688 1 5 . 1 1 61 61 ARG CB C 61 29.771 29.771 29.959 -0.188 18749
1689 1 5 . 1 1 61 61 ARG H H 61 7.265 7.265 7.786 -0.521 18749
1690 1 5 . 1 1 62 62 TYR N N 62 117.341 117.341 116.505 0.836 18749
1691 1 5 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.417 0.052 18749
1692 1 5 . 1 1 62 62 TYR C C 62 175.562 175.562 176.626 -1.064 18749
1693 1 5 . 1 1 62 62 TYR CA C 62 58.566 58.566 60.493 -1.927 18749
1694 1 5 . 1 1 62 62 TYR CB C 62 39.182 39.182 39.513 -0.331 18749
1695 1 5 . 1 1 62 62 TYR H H 62 7.259 7.259 7.644 -0.385 18749
1696 1 5 . 1 1 63 63 GLN N N 63 121.663 121.663 117.529 4.134 18749
1697 1 5 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.602 -0.392 18749
1698 1 5 . 1 1 63 63 GLN C C 63 173.076 173.076 175.034 -1.958 18749
1699 1 5 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.886 -0.394 18749
1700 1 5 . 1 1 63 63 GLN CB C 63 29.401 29.401 31.891 -2.490 18749
1701 1 5 . 1 1 63 63 GLN H H 63 7.856 7.856 7.817 0.039 18749
1702 1 5 . 1 1 64 64 LYS N N 64 127.668 127.668 125.909 1.759 18749
1703 1 5 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.144 0.158 18749
1704 1 5 . 1 1 64 64 LYS C C 64 177.301 177.301 176.107 1.194 18749
1705 1 5 . 1 1 64 64 LYS CA C 64 58.182 58.182 57.507 0.675 18749
1706 1 5 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.504 0.010 18749
1707 1 5 . 1 1 64 64 LYS H H 64 8.204 8.204 8.689 -0.485 18749
1708 1 5 . 1 1 65 65 ASP N N 65 131.040 131.040 124.622 6.418 18749
1709 1 5 . 1 1 65 65 ASP C C 65 174.529 174.529 176.933 -2.404 18749
1710 1 5 . 1 1 65 65 ASP CA C 65 53.232 53.232 53.910 -0.678 18749
1711 1 5 . 1 1 65 65 ASP CB C 65 41.222 41.222 40.784 0.438 18749
1712 1 5 . 1 1 65 65 ASP H H 65 8.677 8.677 8.418 0.259 18749
1713 1 5 . 1 1 66 66 LEU N N 66 125.688 125.688 120.953 4.735 18749
1714 1 5 . 1 1 66 66 LEU HA H 66 4.088 4.088 4.100 -0.012 18749
1715 1 5 . 1 1 66 66 LEU C C 66 178.676 178.676 178.180 0.496 18749
1716 1 5 . 1 1 66 66 LEU CA C 66 57.836 57.836 56.320 1.516 18749
1717 1 5 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.319 1.877 18749
1718 1 5 . 1 1 66 66 LEU H H 66 8.733 8.733 8.061 0.672 18749
1719 1 5 . 1 1 67 67 ALA N N 67 119.916 119.916 123.411 -3.495 18749
1720 1 5 . 1 1 67 67 ALA C C 67 180.513 180.513 179.425 1.088 18749
1721 1 5 . 1 1 67 67 ALA CA C 67 55.151 55.151 54.779 0.372 18749
1722 1 5 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.470 -0.352 18749
1723 1 5 . 1 1 67 67 ALA H H 67 8.076 8.076 8.029 0.047 18749
1724 1 5 . 1 1 68 68 ILE N N 68 119.735 119.735 115.662 4.073 18749
1725 1 5 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.550 0.109 18749
1726 1 5 . 1 1 68 68 ILE C C 68 177.647 177.647 177.792 -0.145 18749
1727 1 5 . 1 1 68 68 ILE CA C 68 63.267 63.267 64.765 -1.498 18749
1728 1 5 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.008 0.330 18749
1729 1 5 . 1 1 68 68 ILE H H 68 7.342 7.342 7.234 0.108 18749
1730 1 5 . 1 1 69 69 HIS N N 69 119.542 119.542 119.012 0.530 18749
1731 1 5 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.092 0.211 18749
1732 1 5 . 1 1 69 69 HIS CA C 69 59.224 59.224 58.484 0.739 18749
1733 1 5 . 1 1 69 69 HIS CB C 69 28.569 28.569 30.442 -1.873 18749
1734 1 5 . 1 1 69 69 HIS H H 69 6.608 6.608 8.184 -1.576 18749
1735 1 5 . 1 1 84 84 GLY C C 84 174.391 174.391 174.358 0.033 18749
1736 1 5 . 1 1 84 84 GLY CA C 84 45.472 45.472 45.624 -0.152 18749
1737 1 5 . 1 1 85 85 THR N N 85 112.734 112.734 112.167 0.567 18749
1738 1 5 . 1 1 85 85 THR C C 85 175.056 175.056 176.202 -1.146 18749
1739 1 5 . 1 1 85 85 THR CA C 85 61.980 61.980 61.907 0.073 18749
1740 1 5 . 1 1 85 85 THR CB C 85 69.868 69.868 69.892 -0.024 18749
1741 1 5 . 1 1 85 85 THR H H 85 8.012 8.012 7.535 0.477 18749
1742 1 5 . 1 1 86 86 GLY N N 86 111.173 111.173 109.522 1.651 18749
1743 1 5 . 1 1 86 86 GLY C C 86 172.909 172.909 172.988 -0.079 18749
1744 1 5 . 1 1 86 86 GLY CA C 86 45.268 45.268 45.454 -0.186 18749
1745 1 5 . 1 1 86 86 GLY H H 86 8.276 8.276 9.022 -0.746 18749
1746 1 6 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.320 0.071 18749
1747 1 6 . 1 1 4 4 PRO C C 4 176.097 176.097 175.590 0.507 18749
1748 1 6 . 1 1 4 4 PRO CA C 4 62.965 62.965 63.462 -0.497 18749
1749 1 6 . 1 1 4 4 PRO CB C 4 31.902 31.902 31.999 -0.097 18749
1750 1 6 . 1 1 5 5 VAL N N 5 121.993 121.993 121.961 0.032 18749
1751 1 6 . 1 1 5 5 VAL HA H 5 4.341 4.341 4.303 0.038 18749
1752 1 6 . 1 1 5 5 VAL CA C 5 59.763 59.763 60.638 -0.875 18749
1753 1 6 . 1 1 5 5 VAL CB C 5 32.567 32.567 31.523 1.044 18749
1754 1 6 . 1 1 5 5 VAL H H 5 8.149 8.149 8.008 0.141 18749
1755 1 6 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.135 0.121 18749
1756 1 6 . 1 1 6 6 PRO C C 6 176.167 176.167 176.704 -0.537 18749
1757 1 6 . 1 1 6 6 PRO CA C 6 63.138 63.138 63.808 -0.670 18749
1758 1 6 . 1 1 6 6 PRO CB C 6 31.877 31.877 31.382 0.495 18749
1759 1 6 . 1 1 7 7 TYR N N 7 121.107 121.107 119.662 1.445 18749
1760 1 6 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.561 -0.118 18749
1761 1 6 . 1 1 7 7 TYR CA C 7 55.602 55.602 55.745 -0.143 18749
1762 1 6 . 1 1 7 7 TYR CB C 7 38.212 38.212 36.075 2.137 18749
1763 1 6 . 1 1 7 7 TYR H H 7 7.945 7.945 6.779 1.166 18749
1764 1 6 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.440 -0.152 18749
1765 1 6 . 1 1 8 8 PRO C C 8 176.122 176.122 175.653 0.469 18749
1766 1 6 . 1 1 8 8 PRO CA C 8 62.983 62.983 63.033 -0.050 18749
1767 1 6 . 1 1 8 8 PRO CB C 8 31.913 31.913 32.582 -0.669 18749
1768 1 6 . 1 1 9 9 ASP N N 9 122.332 122.332 117.547 4.785 18749
1769 1 6 . 1 1 9 9 ASP HA H 9 4.466 4.466 4.816 -0.350 18749
1770 1 6 . 1 1 9 9 ASP CA C 9 52.317 52.317 52.826 -0.509 18749
1771 1 6 . 1 1 9 9 ASP CB C 9 41.371 41.371 41.351 0.020 18749
1772 1 6 . 1 1 9 9 ASP H H 9 8.204 8.204 8.412 -0.208 18749
1773 1 6 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.308 0.001 18749
1774 1 6 . 1 1 10 10 PRO C C 10 177.003 177.003 177.685 -0.682 18749
1775 1 6 . 1 1 10 10 PRO CA C 10 63.635 63.635 64.516 -0.881 18749
1776 1 6 . 1 1 10 10 PRO CB C 10 32.207 32.207 32.024 0.183 18749
1777 1 6 . 1 1 11 11 LEU N N 11 120.566 120.566 115.519 5.047 18749
1778 1 6 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.086 0.135 18749
1779 1 6 . 1 1 11 11 LEU C C 11 177.277 177.277 177.001 0.276 18749
1780 1 6 . 1 1 11 11 LEU CA C 11 54.938 54.938 55.783 -0.845 18749
1781 1 6 . 1 1 11 11 LEU CB C 11 41.908 41.908 41.833 0.075 18749
1782 1 6 . 1 1 11 11 LEU H H 11 8.295 8.295 7.596 0.699 18749
1783 1 6 . 1 1 12 12 GLU N N 12 122.415 122.415 115.163 7.252 18749
1784 1 6 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.099 0.285 18749
1785 1 6 . 1 1 12 12 GLU CA C 12 54.384 54.384 56.036 -1.652 18749
1786 1 6 . 1 1 12 12 GLU CB C 12 29.988 29.988 27.948 2.040 18749
1787 1 6 . 1 1 12 12 GLU H H 12 7.857 7.857 7.625 0.232 18749
1788 1 6 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.198 0.051 18749
1789 1 6 . 1 1 13 13 PRO C C 13 177.132 177.132 178.180 -1.048 18749
1790 1 6 . 1 1 13 13 PRO CA C 13 63.458 63.458 65.071 -1.613 18749
1791 1 6 . 1 1 13 13 PRO CB C 13 31.862 31.862 31.803 0.059 18749
1792 1 6 . 1 1 14 14 ARG N N 14 121.214 121.214 117.025 4.189 18749
1793 1 6 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.163 -0.004 18749
1794 1 6 . 1 1 14 14 ARG CA C 14 56.162 56.162 57.343 -1.181 18749
1795 1 6 . 1 1 14 14 ARG CB C 14 30.632 30.632 30.259 0.373 18749
1796 1 6 . 1 1 14 14 ARG H H 14 8.337 8.337 8.315 0.022 18749
1797 1 6 . 1 1 15 15 GLY N N 15 109.686 109.686 105.639 4.047 18749
1798 1 6 . 1 1 15 15 GLY C C 15 174.130 174.130 174.964 -0.834 18749
1799 1 6 . 1 1 15 15 GLY CA C 15 45.312 45.312 45.220 0.092 18749
1800 1 6 . 1 1 15 15 GLY H H 15 8.280 8.280 7.762 0.518 18749
1801 1 6 . 1 1 16 16 GLY N N 16 108.011 108.011 109.787 -1.776 18749
1802 1 6 . 1 1 16 16 GLY C C 16 172.056 172.056 174.864 -2.808 18749
1803 1 6 . 1 1 16 16 GLY CA C 16 44.895 44.895 45.736 -0.841 18749
1804 1 6 . 1 1 16 16 GLY H H 16 7.764 7.764 8.664 -0.900 18749
1805 1 6 . 1 1 17 17 LYS N N 17 117.049 117.049 118.939 -1.890 18749
1806 1 6 . 1 1 17 17 LYS HA H 17 4.135 4.135 4.007 0.128 18749
1807 1 6 . 1 1 17 17 LYS C C 17 175.259 175.259 177.271 -2.012 18749
1808 1 6 . 1 1 17 17 LYS CA C 17 53.914 53.914 58.703 -4.790 18749
1809 1 6 . 1 1 17 17 LYS CB C 17 35.219 35.219 32.395 2.824 18749
1810 1 6 . 1 1 17 17 LYS H H 17 7.347 7.347 8.202 -0.855 18749
1811 1 6 . 1 1 18 18 HIS N N 18 120.426 120.426 116.112 4.314 18749
1812 1 6 . 1 1 18 18 HIS C C 18 175.419 175.419 174.846 0.573 18749
1813 1 6 . 1 1 18 18 HIS CA C 18 57.086 57.086 57.407 -0.321 18749
1814 1 6 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.253 0.239 18749
1815 1 6 . 1 1 19 19 ILE N N 19 126.193 126.193 117.143 9.050 18749
1816 1 6 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.426 0.028 18749
1817 1 6 . 1 1 19 19 ILE C C 19 175.138 175.138 174.873 0.265 18749
1818 1 6 . 1 1 19 19 ILE CA C 19 59.189 59.189 59.619 -0.430 18749
1819 1 6 . 1 1 19 19 ILE CB C 19 41.816 41.816 39.297 2.519 18749
1820 1 6 . 1 1 19 19 ILE H H 19 8.180 8.180 7.093 1.087 18749
1821 1 6 . 1 1 20 20 CYS N N 20 127.805 127.805 126.950 0.855 18749
1822 1 6 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.509 0.406 18749
1823 1 6 . 1 1 20 20 CYS C C 20 174.996 174.996 176.046 -1.050 18749
1824 1 6 . 1 1 20 20 CYS CA C 20 57.370 57.370 58.630 -1.260 18749
1825 1 6 . 1 1 20 20 CYS CB C 20 32.008 32.008 29.486 2.522 18749
1826 1 6 . 1 1 20 20 CYS H H 20 8.382 8.382 8.820 -0.438 18749
1827 1 6 . 1 1 21 21 ALA N N 21 135.406 135.406 129.458 5.948 18749
1828 1 6 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.275 -0.113 18749
1829 1 6 . 1 1 21 21 ALA C C 21 177.885 177.885 177.559 0.326 18749
1830 1 6 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.279 0.213 18749
1831 1 6 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.922 0.703 18749
1832 1 6 . 1 1 21 21 ALA H H 21 8.742 8.742 8.814 -0.072 18749
1833 1 6 . 1 1 22 22 ILE N N 22 119.063 119.063 116.619 2.444 18749
1834 1 6 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.151 -0.290 18749
1835 1 6 . 1 1 22 22 ILE C C 22 176.914 176.914 177.118 -0.204 18749
1836 1 6 . 1 1 22 22 ILE CA C 22 63.218 63.218 62.327 0.891 18749
1837 1 6 . 1 1 22 22 ILE CB C 22 37.371 37.371 39.344 -1.974 18749
1838 1 6 . 1 1 22 22 ILE H H 22 8.150 8.150 7.472 0.678 18749
1839 1 6 . 1 1 23 23 CYS N N 23 114.362 114.362 117.111 -2.749 18749
1840 1 6 . 1 1 23 23 CYS C C 23 176.216 176.216 175.867 0.349 18749
1841 1 6 . 1 1 23 23 CYS CA C 23 57.878 57.878 59.206 -1.327 18749
1842 1 6 . 1 1 23 23 CYS CB C 23 30.456 30.456 26.701 3.755 18749
1843 1 6 . 1 1 23 23 CYS H H 23 7.238 7.238 8.318 -1.080 18749
1844 1 6 . 1 1 24 24 GLY N N 24 111.898 111.898 106.997 4.901 18749
1845 1 6 . 1 1 24 24 GLY C C 24 173.367 173.367 173.870 -0.503 18749
1846 1 6 . 1 1 24 24 GLY CA C 24 46.222 46.222 47.075 -0.853 18749
1847 1 6 . 1 1 24 24 GLY H H 24 7.566 7.566 8.411 -0.845 18749
1848 1 6 . 1 1 25 25 ASN N N 25 117.684 117.684 114.825 2.859 18749
1849 1 6 . 1 1 25 25 ASN HA H 25 4.763 4.763 5.020 -0.257 18749
1850 1 6 . 1 1 25 25 ASN C C 25 174.631 174.631 174.534 0.097 18749
1851 1 6 . 1 1 25 25 ASN CA C 25 51.901 51.901 52.480 -0.579 18749
1852 1 6 . 1 1 25 25 ASN CB C 25 40.666 40.666 38.620 2.046 18749
1853 1 6 . 1 1 25 25 ASN H H 25 7.781 7.781 8.580 -0.799 18749
1854 1 6 . 1 1 26 26 ASN N N 26 118.294 118.294 118.062 0.232 18749
1855 1 6 . 1 1 26 26 ASN HA H 26 4.570 4.570 4.824 -0.254 18749
1856 1 6 . 1 1 26 26 ASN C C 26 175.502 175.502 175.787 -0.285 18749
1857 1 6 . 1 1 26 26 ASN CA C 26 53.980 53.980 53.110 0.870 18749
1858 1 6 . 1 1 26 26 ASN CB C 26 38.066 38.066 38.002 0.064 18749
1859 1 6 . 1 1 26 26 ASN H H 26 8.562 8.562 8.454 0.108 18749
1860 1 6 . 1 1 27 27 ALA N N 27 126.538 126.538 123.551 2.987 18749
1861 1 6 . 1 1 27 27 ALA C C 27 177.920 177.920 179.150 -1.230 18749
1862 1 6 . 1 1 27 27 ALA CA C 27 53.567 53.567 54.617 -1.050 18749
1863 1 6 . 1 1 27 27 ALA CB C 27 18.852 18.852 18.716 0.136 18749
1864 1 6 . 1 1 27 27 ALA H H 27 8.217 8.217 8.186 0.031 18749
1865 1 6 . 1 1 28 28 GLU N N 28 112.911 112.911 117.632 -4.721 18749
1866 1 6 . 1 1 28 28 GLU HA H 28 4.099 4.099 3.903 0.196 18749
1867 1 6 . 1 1 28 28 GLU C C 28 177.423 177.423 176.811 0.612 18749
1868 1 6 . 1 1 28 28 GLU CA C 28 57.783 57.783 59.253 -1.470 18749
1869 1 6 . 1 1 28 28 GLU CB C 28 30.926 30.926 29.337 1.589 18749
1870 1 6 . 1 1 28 28 GLU H H 28 8.608 8.608 8.903 -0.295 18749
1871 1 6 . 1 1 29 29 ASP N N 29 116.209 116.209 114.699 1.510 18749
1872 1 6 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.596 -0.162 18749
1873 1 6 . 1 1 29 29 ASP C C 29 174.486 174.486 175.652 -1.166 18749
1874 1 6 . 1 1 29 29 ASP CA C 29 55.349 55.349 54.631 0.718 18749
1875 1 6 . 1 1 29 29 ASP CB C 29 42.596 42.596 42.205 0.391 18749
1876 1 6 . 1 1 29 29 ASP H H 29 7.272 7.272 8.421 -1.149 18749
1877 1 6 . 1 1 30 30 TYR N N 30 116.344 116.344 122.040 -5.696 18749
1878 1 6 . 1 1 30 30 TYR CA C 30 57.018 57.018 57.857 -0.839 18749
1879 1 6 . 1 1 30 30 TYR CB C 30 43.459 43.459 36.961 6.498 18749
1880 1 6 . 1 1 30 30 TYR H H 30 7.281 7.281 8.153 -0.872 18749
1881 1 6 . 1 1 31 31 LYS C C 31 177.018 177.018 176.058 0.960 18749
1882 1 6 . 1 1 32 32 HIS N N 32 116.170 116.170 117.337 -1.167 18749
1883 1 6 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.562 -0.760 18749
1884 1 6 . 1 1 32 32 HIS C C 32 173.979 173.979 177.473 -3.494 18749
1885 1 6 . 1 1 32 32 HIS CA C 32 55.136 55.136 59.088 -3.952 18749
1886 1 6 . 1 1 32 32 HIS CB C 32 33.128 33.128 30.544 2.584 18749
1887 1 6 . 1 1 32 32 HIS H H 32 7.691 7.691 7.930 -0.239 18749
1888 1 6 . 1 1 33 33 THR N N 33 108.605 108.605 112.026 -3.421 18749
1889 1 6 . 1 1 33 33 THR HA H 33 4.424 4.424 4.233 0.191 18749
1890 1 6 . 1 1 33 33 THR C C 33 175.107 175.107 174.625 0.482 18749
1891 1 6 . 1 1 33 33 THR CA C 33 60.218 60.218 64.161 -3.943 18749
1892 1 6 . 1 1 33 33 THR CB C 33 69.476 69.476 68.868 0.608 18749
1893 1 6 . 1 1 33 33 THR H H 33 8.051 8.051 7.723 0.328 18749
1894 1 6 . 1 1 34 34 ASP N N 34 121.404 121.404 120.266 1.138 18749
1895 1 6 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.550 0.040 18749
1896 1 6 . 1 1 34 34 ASP C C 34 175.334 175.334 176.043 -0.709 18749
1897 1 6 . 1 1 34 34 ASP CA C 34 53.564 53.564 55.781 -2.217 18749
1898 1 6 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.719 -0.299 18749
1899 1 6 . 1 1 34 34 ASP H H 34 7.973 7.973 8.175 -0.202 18749
1900 1 6 . 1 1 35 35 MET N N 35 119.898 119.898 118.731 1.167 18749
1901 1 6 . 1 1 35 35 MET HA H 35 4.398 4.398 4.484 -0.086 18749
1902 1 6 . 1 1 35 35 MET C C 35 174.846 174.846 176.240 -1.394 18749
1903 1 6 . 1 1 35 35 MET CA C 35 55.631 55.631 55.074 0.557 18749
1904 1 6 . 1 1 35 35 MET CB C 35 33.382 33.382 33.129 0.253 18749
1905 1 6 . 1 1 35 35 MET H H 35 7.585 7.585 7.328 0.257 18749
1906 1 6 . 1 1 36 36 ASP N N 36 123.631 123.631 125.098 -1.467 18749
1907 1 6 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.627 -0.141 18749
1908 1 6 . 1 1 36 36 ASP C C 36 176.456 176.456 175.491 0.965 18749
1909 1 6 . 1 1 36 36 ASP CA C 36 54.279 54.279 54.319 -0.040 18749
1910 1 6 . 1 1 36 36 ASP CB C 36 41.156 41.156 40.195 0.961 18749
1911 1 6 . 1 1 36 36 ASP H H 36 8.360 8.360 8.559 -0.199 18749
1912 1 6 . 1 1 37 37 LEU N N 37 123.812 123.812 127.098 -3.286 18749
1913 1 6 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.781 -0.478 18749
1914 1 6 . 1 1 37 37 LEU C C 37 177.554 177.554 177.028 0.526 18749
1915 1 6 . 1 1 37 37 LEU CA C 37 55.317 55.317 54.263 1.054 18749
1916 1 6 . 1 1 37 37 LEU CB C 37 41.945 41.945 44.091 -2.146 18749
1917 1 6 . 1 1 37 37 LEU H H 37 8.224 8.224 7.852 0.372 18749
1918 1 6 . 1 1 38 38 THR N N 38 113.723 113.723 116.112 -2.389 18749
1919 1 6 . 1 1 38 38 THR HA H 38 4.153 4.153 4.083 0.070 18749
1920 1 6 . 1 1 38 38 THR C C 38 174.786 174.786 175.331 -0.545 18749
1921 1 6 . 1 1 38 38 THR CA C 38 62.673 62.673 63.464 -0.791 18749
1922 1 6 . 1 1 38 38 THR CB C 38 69.792 69.792 68.845 0.947 18749
1923 1 6 . 1 1 38 38 THR H H 38 8.321 8.321 8.476 -0.155 18749
1924 1 6 . 1 1 39 39 TYR N N 39 121.098 121.098 119.940 1.158 18749
1925 1 6 . 1 1 39 39 TYR C C 39 175.992 175.992 176.816 -0.824 18749
1926 1 6 . 1 1 39 39 TYR CA C 39 58.083 58.083 59.698 -1.615 18749
1927 1 6 . 1 1 39 39 TYR CB C 39 38.309 38.309 37.428 0.881 18749
1928 1 6 . 1 1 39 39 TYR H H 39 7.920 7.920 7.828 0.092 18749
1929 1 6 . 1 1 40 40 THR N N 40 113.380 113.380 113.359 0.021 18749
1930 1 6 . 1 1 40 40 THR C C 40 174.356 174.356 173.997 0.359 18749
1931 1 6 . 1 1 40 40 THR CA C 40 61.801 61.801 62.172 -0.371 18749
1932 1 6 . 1 1 40 40 THR CB C 40 69.965 69.965 67.544 2.421 18749
1933 1 6 . 1 1 40 40 THR H H 40 7.885 7.885 7.894 -0.009 18749
1934 1 6 . 1 1 41 41 ASP N N 41 121.537 121.537 126.024 -4.487 18749
1935 1 6 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.623 -0.155 18749
1936 1 6 . 1 1 41 41 ASP C C 41 176.338 176.338 176.214 0.124 18749
1937 1 6 . 1 1 41 41 ASP CA C 41 54.674 54.674 54.562 0.112 18749
1938 1 6 . 1 1 41 41 ASP CB C 41 40.996 40.996 41.642 -0.647 18749
1939 1 6 . 1 1 41 41 ASP H H 41 8.184 8.184 8.047 0.137 18749
1940 1 6 . 1 1 42 42 ARG N N 42 119.745 119.745 121.458 -1.713 18749
1941 1 6 . 1 1 42 42 ARG HA H 42 4.171 4.171 4.338 -0.167 18749
1942 1 6 . 1 1 42 42 ARG C C 42 175.906 175.906 175.660 0.246 18749
1943 1 6 . 1 1 42 42 ARG CA C 42 56.644 56.644 55.797 0.847 18749
1944 1 6 . 1 1 42 42 ARG CB C 42 30.788 30.788 30.885 -0.097 18749
1945 1 6 . 1 1 42 42 ARG H H 42 7.997 7.997 8.284 -0.287 18749
1946 1 6 . 1 1 43 43 ASP N N 43 119.314 119.314 121.125 -1.811 18749
1947 1 6 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.535 -0.032 18749
1948 1 6 . 1 1 43 43 ASP C C 43 175.599 175.599 176.594 -0.995 18749
1949 1 6 . 1 1 43 43 ASP CA C 43 54.368 54.368 54.165 0.203 18749
1950 1 6 . 1 1 43 43 ASP CB C 43 41.071 41.071 41.436 -0.365 18749
1951 1 6 . 1 1 43 43 ASP H H 43 8.181 8.181 8.480 -0.299 18749
1952 1 6 . 1 1 44 44 TYR N N 44 120.178 120.178 123.589 -3.411 18749
1953 1 6 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.303 0.021 18749
1954 1 6 . 1 1 44 44 TYR C C 44 175.321 175.321 176.873 -1.552 18749
1955 1 6 . 1 1 44 44 TYR CA C 44 58.553 58.553 59.789 -1.236 18749
1956 1 6 . 1 1 44 44 TYR CB C 44 38.614 38.614 38.806 -0.192 18749
1957 1 6 . 1 1 44 44 TYR H H 44 7.806 7.806 8.677 -0.871 18749
1958 1 6 . 1 1 45 45 LYS N N 45 123.353 123.353 118.737 4.616 18749
1959 1 6 . 1 1 45 45 LYS CA C 45 55.745 55.745 57.307 -1.562 18749
1960 1 6 . 1 1 45 45 LYS CB C 45 33.789 33.789 32.775 1.014 18749
1961 1 6 . 1 1 45 45 LYS H H 45 7.731 7.731 8.187 -0.456 18749
1962 1 6 . 1 1 47 47 CYS N N 47 125.060 125.060 119.530 5.530 18749
1963 1 6 . 1 1 47 47 CYS H H 47 8.811 8.811 7.965 0.846 18749
1964 1 6 . 1 1 48 48 GLU C C 48 178.473 178.473 176.996 1.477 18749
1965 1 6 . 1 1 49 49 SER N N 49 120.359 120.359 118.876 1.483 18749
1966 1 6 . 1 1 49 49 SER C C 49 172.276 172.276 174.460 -2.184 18749
1967 1 6 . 1 1 49 49 SER CA C 49 61.125 61.125 60.286 0.839 18749
1968 1 6 . 1 1 49 49 SER CB C 49 63.224 63.224 63.724 -0.500 18749
1969 1 6 . 1 1 49 49 SER H H 49 8.737 8.737 8.620 0.117 18749
1970 1 6 . 1 1 50 50 TYR N N 50 110.556 110.556 114.909 -4.353 18749
1971 1 6 . 1 1 50 50 TYR C C 50 175.624 175.624 173.150 2.474 18749
1972 1 6 . 1 1 50 50 TYR CA C 50 59.205 59.205 57.866 1.339 18749
1973 1 6 . 1 1 50 50 TYR CB C 50 38.197 38.197 40.892 -2.695 18749
1974 1 6 . 1 1 50 50 TYR H H 50 6.326 6.326 7.497 -1.171 18749
1975 1 6 . 1 1 51 51 HIS N N 51 119.871 119.871 117.582 2.289 18749
1976 1 6 . 1 1 51 51 HIS HA H 51 3.757 3.757 5.183 -1.426 18749
1977 1 6 . 1 1 51 51 HIS C C 51 176.588 176.588 175.141 1.447 18749
1978 1 6 . 1 1 51 51 HIS CA C 51 59.323 59.323 55.225 4.098 18749
1979 1 6 . 1 1 51 51 HIS CB C 51 27.514 27.514 30.030 -2.516 18749
1980 1 6 . 1 1 51 51 HIS H H 51 5.890 5.890 8.814 -2.924 18749
1981 1 6 . 1 1 52 52 LYS N N 52 122.505 122.505 120.512 1.993 18749
1982 1 6 . 1 1 52 52 LYS C C 52 178.958 178.958 176.550 2.408 18749
1983 1 6 . 1 1 52 52 LYS CA C 52 58.922 58.922 58.744 0.178 18749
1984 1 6 . 1 1 52 52 LYS CB C 52 31.291 31.291 33.003 -1.712 18749
1985 1 6 . 1 1 52 52 LYS H H 52 7.660 7.660 8.147 -0.487 18749
1986 1 6 . 1 1 53 53 CYS N N 53 117.268 117.268 112.882 4.386 18749
1987 1 6 . 1 1 53 53 CYS C C 53 179.241 179.241 173.383 5.858 18749
1988 1 6 . 1 1 53 53 CYS CA C 53 64.802 64.802 58.106 6.696 18749
1989 1 6 . 1 1 53 53 CYS CB C 53 30.906 30.906 31.212 -0.306 18749
1990 1 6 . 1 1 53 53 CYS H H 53 8.256 8.256 7.900 0.356 18749
1991 1 6 . 1 1 54 54 SER N N 54 111.716 111.716 117.928 -6.212 18749
1992 1 6 . 1 1 54 54 SER HA H 54 3.839 3.839 4.112 -0.273 18749
1993 1 6 . 1 1 54 54 SER C C 54 175.922 175.922 174.487 1.435 18749
1994 1 6 . 1 1 54 54 SER CA C 54 60.263 60.263 59.425 0.838 18749
1995 1 6 . 1 1 54 54 SER CB C 54 64.120 64.120 62.651 1.470 18749
1996 1 6 . 1 1 54 54 SER H H 54 7.671 7.671 8.679 -1.008 18749
1997 1 6 . 1 1 55 55 ASP N N 55 119.056 119.056 122.146 -3.090 18749
1998 1 6 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.346 -0.050 18749
1999 1 6 . 1 1 55 55 ASP C C 55 178.101 178.101 178.101 0.000 18749
2000 1 6 . 1 1 55 55 ASP CA C 55 57.387 57.387 56.707 0.680 18749
2001 1 6 . 1 1 55 55 ASP CB C 55 40.315 40.315 40.752 -0.437 18749
2002 1 6 . 1 1 55 55 ASP H H 55 7.438 7.438 8.623 -1.185 18749
2003 1 6 . 1 1 56 56 LEU N N 56 118.324 118.324 118.783 -0.459 18749
2004 1 6 . 1 1 56 56 LEU HA H 56 4.168 4.168 4.059 0.109 18749
2005 1 6 . 1 1 56 56 LEU C C 56 176.250 176.250 176.909 -0.659 18749
2006 1 6 . 1 1 56 56 LEU CA C 56 55.333 55.333 56.588 -1.255 18749
2007 1 6 . 1 1 56 56 LEU CB C 56 43.173 43.173 41.844 1.329 18749
2008 1 6 . 1 1 56 56 LEU H H 56 7.565 7.565 7.697 -0.132 18749
2009 1 6 . 1 1 57 57 CYS N N 57 124.095 124.095 118.047 6.048 18749
2010 1 6 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.545 -0.290 18749
2011 1 6 . 1 1 57 57 CYS C C 57 177.371 177.371 175.497 1.874 18749
2012 1 6 . 1 1 57 57 CYS CA C 57 59.255 59.255 57.979 1.276 18749
2013 1 6 . 1 1 57 57 CYS CB C 57 30.128 30.128 27.091 3.037 18749
2014 1 6 . 1 1 57 57 CYS H H 57 7.265 7.265 7.696 -0.431 18749
2015 1 6 . 1 1 58 58 GLN N N 58 131.839 131.839 127.950 3.889 18749
2016 1 6 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.122 -0.199 18749
2017 1 6 . 1 1 58 58 GLN C C 58 178.435 178.435 177.889 0.546 18749
2018 1 6 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.607 0.681 18749
2019 1 6 . 1 1 58 58 GLN CB C 58 28.195 28.195 28.804 -0.609 18749
2020 1 6 . 1 1 58 58 GLN H H 58 9.451 9.451 9.017 0.434 18749
2021 1 6 . 1 1 59 59 TYR N N 59 124.026 124.026 120.037 3.989 18749
2022 1 6 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.515 -0.086 18749
2023 1 6 . 1 1 59 59 TYR C C 59 178.722 178.722 177.053 1.669 18749
2024 1 6 . 1 1 59 59 TYR CA C 59 60.295 60.295 61.388 -1.093 18749
2025 1 6 . 1 1 59 59 TYR CB C 59 38.591 38.591 38.590 0.001 18749
2026 1 6 . 1 1 59 59 TYR H H 59 8.699 8.699 8.329 0.370 18749
2027 1 6 . 1 1 60 60 CYS N N 60 122.268 122.268 116.826 5.442 18749
2028 1 6 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.705 -0.388 18749
2029 1 6 . 1 1 60 60 CYS C C 60 176.011 176.011 176.383 -0.372 18749
2030 1 6 . 1 1 60 60 CYS CA C 60 64.499 64.499 61.166 3.333 18749
2031 1 6 . 1 1 60 60 CYS CB C 60 30.203 30.203 26.004 4.199 18749
2032 1 6 . 1 1 60 60 CYS H H 60 8.432 8.432 7.864 0.568 18749
2033 1 6 . 1 1 61 61 ARG N N 61 116.449 116.449 118.083 -1.634 18749
2034 1 6 . 1 1 61 61 ARG HA H 61 3.895 3.895 3.982 -0.087 18749
2035 1 6 . 1 1 61 61 ARG C C 61 176.965 176.965 177.950 -0.985 18749
2036 1 6 . 1 1 61 61 ARG CA C 61 58.336 58.336 59.206 -0.870 18749
2037 1 6 . 1 1 61 61 ARG CB C 61 29.771 29.771 30.061 -0.290 18749
2038 1 6 . 1 1 61 61 ARG H H 61 7.265 7.265 7.690 -0.425 18749
2039 1 6 . 1 1 62 62 TYR N N 62 117.341 117.341 116.630 0.711 18749
2040 1 6 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.335 0.134 18749
2041 1 6 . 1 1 62 62 TYR C C 62 175.562 175.562 177.127 -1.565 18749
2042 1 6 . 1 1 62 62 TYR CA C 62 58.566 58.566 59.834 -1.268 18749
2043 1 6 . 1 1 62 62 TYR CB C 62 39.182 39.182 39.546 -0.364 18749
2044 1 6 . 1 1 62 62 TYR H H 62 7.259 7.259 7.505 -0.246 18749
2045 1 6 . 1 1 63 63 GLN N N 63 121.663 121.663 117.708 3.955 18749
2046 1 6 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.580 -0.370 18749
2047 1 6 . 1 1 63 63 GLN C C 63 173.076 173.076 174.929 -1.853 18749
2048 1 6 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.743 -0.251 18749
2049 1 6 . 1 1 63 63 GLN CB C 63 29.401 29.401 31.577 -2.176 18749
2050 1 6 . 1 1 63 63 GLN H H 63 7.856 7.856 8.135 -0.279 18749
2051 1 6 . 1 1 64 64 LYS N N 64 127.668 127.668 125.445 2.223 18749
2052 1 6 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.169 0.132 18749
2053 1 6 . 1 1 64 64 LYS C C 64 177.301 177.301 175.906 1.395 18749
2054 1 6 . 1 1 64 64 LYS CA C 64 58.182 58.182 57.451 0.731 18749
2055 1 6 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.328 0.186 18749
2056 1 6 . 1 1 64 64 LYS H H 64 8.204 8.204 8.711 -0.507 18749
2057 1 6 . 1 1 65 65 ASP N N 65 131.040 131.040 124.078 6.962 18749
2058 1 6 . 1 1 65 65 ASP C C 65 174.529 174.529 177.087 -2.558 18749
2059 1 6 . 1 1 65 65 ASP CA C 65 53.232 53.232 54.083 -0.851 18749
2060 1 6 . 1 1 65 65 ASP CB C 65 41.222 41.222 41.164 0.058 18749
2061 1 6 . 1 1 65 65 ASP H H 65 8.677 8.677 8.440 0.237 18749
2062 1 6 . 1 1 66 66 LEU N N 66 125.688 125.688 120.945 4.743 18749
2063 1 6 . 1 1 66 66 LEU HA H 66 4.088 4.088 3.994 0.094 18749
2064 1 6 . 1 1 66 66 LEU C C 66 178.676 178.676 177.392 1.284 18749
2065 1 6 . 1 1 66 66 LEU CA C 66 57.836 57.836 56.249 1.587 18749
2066 1 6 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.380 1.816 18749
2067 1 6 . 1 1 66 66 LEU H H 66 8.733 8.733 8.054 0.679 18749
2068 1 6 . 1 1 67 67 ALA N N 67 119.916 119.916 121.102 -1.186 18749
2069 1 6 . 1 1 67 67 ALA C C 67 180.513 180.513 178.740 1.773 18749
2070 1 6 . 1 1 67 67 ALA CA C 67 55.151 55.151 54.182 0.969 18749
2071 1 6 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.771 -0.653 18749
2072 1 6 . 1 1 67 67 ALA H H 67 8.076 8.076 7.564 0.512 18749
2073 1 6 . 1 1 68 68 ILE N N 68 119.735 119.735 115.144 4.591 18749
2074 1 6 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.775 -0.116 18749
2075 1 6 . 1 1 68 68 ILE C C 68 177.647 177.647 176.122 1.525 18749
2076 1 6 . 1 1 68 68 ILE CA C 68 63.267 63.267 63.699 -0.432 18749
2077 1 6 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.524 -0.186 18749
2078 1 6 . 1 1 68 68 ILE H H 68 7.342 7.342 7.125 0.217 18749
2079 1 6 . 1 1 69 69 HIS N N 69 119.542 119.542 121.643 -2.101 18749
2080 1 6 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.505 -0.202 18749
2081 1 6 . 1 1 69 69 HIS CA C 69 59.224 59.224 55.331 3.893 18749
2082 1 6 . 1 1 69 69 HIS CB C 69 28.569 28.569 30.603 -2.034 18749
2083 1 6 . 1 1 69 69 HIS H H 69 6.608 6.608 8.121 -1.513 18749
2084 1 6 . 1 1 84 84 GLY C C 84 174.391 174.391 176.386 -1.995 18749
2085 1 6 . 1 1 84 84 GLY CA C 84 45.472 45.472 47.383 -1.911 18749
2086 1 6 . 1 1 85 85 THR N N 85 112.734 112.734 114.779 -2.045 18749
2087 1 6 . 1 1 85 85 THR C C 85 175.056 175.056 175.995 -0.939 18749
2088 1 6 . 1 1 85 85 THR CA C 85 61.980 61.980 63.228 -1.248 18749
2089 1 6 . 1 1 85 85 THR CB C 85 69.868 69.868 68.192 1.676 18749
2090 1 6 . 1 1 85 85 THR H H 85 8.012 8.012 7.952 0.060 18749
2091 1 6 . 1 1 86 86 GLY N N 86 111.173 111.173 109.414 1.759 18749
2092 1 6 . 1 1 86 86 GLY C C 86 172.909 172.909 174.406 -1.497 18749
2093 1 6 . 1 1 86 86 GLY CA C 86 45.268 45.268 45.494 -0.226 18749
2094 1 6 . 1 1 86 86 GLY H H 86 8.276 8.276 7.685 0.591 18749
2095 1 7 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.438 -0.047 18749
2096 1 7 . 1 1 4 4 PRO C C 4 176.097 176.097 176.435 -0.338 18749
2097 1 7 . 1 1 4 4 PRO CA C 4 62.965 62.965 62.791 0.174 18749
2098 1 7 . 1 1 4 4 PRO CB C 4 31.902 31.902 32.314 -0.412 18749
2099 1 7 . 1 1 5 5 VAL N N 5 121.993 121.993 120.391 1.602 18749
2100 1 7 . 1 1 5 5 VAL HA H 5 4.341 4.341 4.371 -0.030 18749
2101 1 7 . 1 1 5 5 VAL CA C 5 59.763 59.763 60.326 -0.563 18749
2102 1 7 . 1 1 5 5 VAL CB C 5 32.567 32.567 33.259 -0.692 18749
2103 1 7 . 1 1 5 5 VAL H H 5 8.149 8.149 8.389 -0.240 18749
2104 1 7 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.337 -0.081 18749
2105 1 7 . 1 1 6 6 PRO C C 6 176.167 176.167 176.255 -0.088 18749
2106 1 7 . 1 1 6 6 PRO CA C 6 63.138 63.138 63.629 -0.491 18749
2107 1 7 . 1 1 6 6 PRO CB C 6 31.877 31.877 31.702 0.175 18749
2108 1 7 . 1 1 7 7 TYR N N 7 121.107 121.107 119.032 2.075 18749
2109 1 7 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.415 0.028 18749
2110 1 7 . 1 1 7 7 TYR CA C 7 55.602 55.602 57.117 -1.515 18749
2111 1 7 . 1 1 7 7 TYR CB C 7 38.212 38.212 37.270 0.942 18749
2112 1 7 . 1 1 7 7 TYR H H 7 7.945 7.945 8.254 -0.309 18749
2113 1 7 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.397 -0.109 18749
2114 1 7 . 1 1 8 8 PRO C C 8 176.122 176.122 175.906 0.216 18749
2115 1 7 . 1 1 8 8 PRO CA C 8 62.983 62.983 62.894 0.089 18749
2116 1 7 . 1 1 8 8 PRO CB C 8 31.913 31.913 32.142 -0.229 18749
2117 1 7 . 1 1 9 9 ASP N N 9 122.332 122.332 119.664 2.668 18749
2118 1 7 . 1 1 9 9 ASP HA H 9 4.466 4.466 3.993 0.473 18749
2119 1 7 . 1 1 9 9 ASP CA C 9 52.317 52.317 53.444 -1.127 18749
2120 1 7 . 1 1 9 9 ASP CB C 9 41.371 41.371 40.305 1.066 18749
2121 1 7 . 1 1 9 9 ASP H H 9 8.204 8.204 7.668 0.536 18749
2122 1 7 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.256 0.053 18749
2123 1 7 . 1 1 10 10 PRO C C 10 177.003 177.003 177.186 -0.183 18749
2124 1 7 . 1 1 10 10 PRO CA C 10 63.635 63.635 64.064 -0.430 18749
2125 1 7 . 1 1 10 10 PRO CB C 10 32.207 32.207 31.756 0.451 18749
2126 1 7 . 1 1 11 11 LEU N N 11 120.566 120.566 115.700 4.866 18749
2127 1 7 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.095 0.126 18749
2128 1 7 . 1 1 11 11 LEU C C 11 177.277 177.277 176.957 0.320 18749
2129 1 7 . 1 1 11 11 LEU CA C 11 54.938 54.938 55.789 -0.851 18749
2130 1 7 . 1 1 11 11 LEU CB C 11 41.908 41.908 42.215 -0.307 18749
2131 1 7 . 1 1 11 11 LEU H H 11 8.295 8.295 7.418 0.877 18749
2132 1 7 . 1 1 12 12 GLU N N 12 122.415 122.415 114.561 7.854 18749
2133 1 7 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.091 0.293 18749
2134 1 7 . 1 1 12 12 GLU CA C 12 54.384 54.384 56.122 -1.738 18749
2135 1 7 . 1 1 12 12 GLU CB C 12 29.988 29.988 27.804 2.184 18749
2136 1 7 . 1 1 12 12 GLU H H 12 7.857 7.857 8.148 -0.291 18749
2137 1 7 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.458 -0.209 18749
2138 1 7 . 1 1 13 13 PRO C C 13 177.132 177.132 176.598 0.534 18749
2139 1 7 . 1 1 13 13 PRO CA C 13 63.458 63.458 63.090 0.368 18749
2140 1 7 . 1 1 13 13 PRO CB C 13 31.862 31.862 32.185 -0.323 18749
2141 1 7 . 1 1 14 14 ARG N N 14 121.214 121.214 121.560 -0.346 18749
2142 1 7 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.388 -0.229 18749
2143 1 7 . 1 1 14 14 ARG CA C 14 56.162 56.162 55.963 0.199 18749
2144 1 7 . 1 1 14 14 ARG CB C 14 30.632 30.632 30.561 0.071 18749
2145 1 7 . 1 1 14 14 ARG H H 14 8.337 8.337 8.357 -0.020 18749
2146 1 7 . 1 1 15 15 GLY N N 15 109.686 109.686 109.120 0.566 18749
2147 1 7 . 1 1 15 15 GLY C C 15 174.130 174.130 174.659 -0.529 18749
2148 1 7 . 1 1 15 15 GLY CA C 15 45.312 45.312 44.533 0.779 18749
2149 1 7 . 1 1 15 15 GLY H H 15 8.280 8.280 8.379 -0.099 18749
2150 1 7 . 1 1 16 16 GLY N N 16 108.011 108.011 107.734 0.277 18749
2151 1 7 . 1 1 16 16 GLY C C 16 172.056 172.056 174.703 -2.647 18749
2152 1 7 . 1 1 16 16 GLY CA C 16 44.895 44.895 44.562 0.333 18749
2153 1 7 . 1 1 16 16 GLY H H 16 7.764 7.764 8.439 -0.675 18749
2154 1 7 . 1 1 17 17 LYS N N 17 117.049 117.049 123.144 -6.095 18749
2155 1 7 . 1 1 17 17 LYS HA H 17 4.135 4.135 4.078 0.057 18749
2156 1 7 . 1 1 17 17 LYS C C 17 175.259 175.259 177.217 -1.958 18749
2157 1 7 . 1 1 17 17 LYS CA C 17 53.914 53.914 58.927 -5.013 18749
2158 1 7 . 1 1 17 17 LYS CB C 17 35.219 35.219 32.741 2.478 18749
2159 1 7 . 1 1 17 17 LYS H H 17 7.347 7.347 8.747 -1.400 18749
2160 1 7 . 1 1 18 18 HIS N N 18 120.426 120.426 118.141 2.285 18749
2161 1 7 . 1 1 18 18 HIS C C 18 175.419 175.419 174.706 0.713 18749
2162 1 7 . 1 1 18 18 HIS CA C 18 57.086 57.086 58.197 -1.111 18749
2163 1 7 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.667 -0.175 18749
2164 1 7 . 1 1 19 19 ILE N N 19 126.193 126.193 115.903 10.290 18749
2165 1 7 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.481 -0.027 18749
2166 1 7 . 1 1 19 19 ILE C C 19 175.138 175.138 174.689 0.449 18749
2167 1 7 . 1 1 19 19 ILE CA C 19 59.189 59.189 59.892 -0.703 18749
2168 1 7 . 1 1 19 19 ILE CB C 19 41.816 41.816 39.074 2.742 18749
2169 1 7 . 1 1 19 19 ILE H H 19 8.180 8.180 7.836 0.344 18749
2170 1 7 . 1 1 20 20 CYS N N 20 127.805 127.805 127.217 0.588 18749
2171 1 7 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.661 0.254 18749
2172 1 7 . 1 1 20 20 CYS C C 20 174.996 174.996 176.401 -1.405 18749
2173 1 7 . 1 1 20 20 CYS CA C 20 57.370 57.370 58.236 -0.866 18749
2174 1 7 . 1 1 20 20 CYS CB C 20 32.008 32.008 29.573 2.435 18749
2175 1 7 . 1 1 20 20 CYS H H 20 8.382 8.382 8.637 -0.255 18749
2176 1 7 . 1 1 21 21 ALA N N 21 135.406 135.406 128.911 6.495 18749
2177 1 7 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.184 -0.022 18749
2178 1 7 . 1 1 21 21 ALA C C 21 177.885 177.885 178.056 -0.171 18749
2179 1 7 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.494 -0.002 18749
2180 1 7 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.735 0.890 18749
2181 1 7 . 1 1 21 21 ALA H H 21 8.742 8.742 8.690 0.052 18749
2182 1 7 . 1 1 22 22 ILE N N 22 119.063 119.063 116.598 2.465 18749
2183 1 7 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.051 -0.190 18749
2184 1 7 . 1 1 22 22 ILE C C 22 176.914 176.914 177.176 -0.262 18749
2185 1 7 . 1 1 22 22 ILE CA C 22 63.218 63.218 63.253 -0.035 18749
2186 1 7 . 1 1 22 22 ILE CB C 22 37.371 37.371 39.456 -2.085 18749
2187 1 7 . 1 1 22 22 ILE H H 22 8.150 8.150 7.547 0.603 18749
2188 1 7 . 1 1 23 23 CYS N N 23 114.362 114.362 118.078 -3.716 18749
2189 1 7 . 1 1 23 23 CYS C C 23 176.216 176.216 176.143 0.073 18749
2190 1 7 . 1 1 23 23 CYS CA C 23 57.878 57.878 60.569 -2.691 18749
2191 1 7 . 1 1 23 23 CYS CB C 23 30.456 30.456 27.259 3.197 18749
2192 1 7 . 1 1 23 23 CYS H H 23 7.238 7.238 7.989 -0.751 18749
2193 1 7 . 1 1 24 24 GLY N N 24 111.898 111.898 107.691 4.207 18749
2194 1 7 . 1 1 24 24 GLY C C 24 173.367 173.367 174.285 -0.918 18749
2195 1 7 . 1 1 24 24 GLY CA C 24 46.222 46.222 46.413 -0.191 18749
2196 1 7 . 1 1 24 24 GLY H H 24 7.566 7.566 8.687 -1.121 18749
2197 1 7 . 1 1 25 25 ASN N N 25 117.684 117.684 115.656 2.028 18749
2198 1 7 . 1 1 25 25 ASN HA H 25 4.763 4.763 4.920 -0.157 18749
2199 1 7 . 1 1 25 25 ASN C C 25 174.631 174.631 175.086 -0.455 18749
2200 1 7 . 1 1 25 25 ASN CA C 25 51.901 51.901 53.114 -1.213 18749
2201 1 7 . 1 1 25 25 ASN CB C 25 40.666 40.666 40.244 0.422 18749
2202 1 7 . 1 1 25 25 ASN H H 25 7.781 7.781 8.502 -0.721 18749
2203 1 7 . 1 1 26 26 ASN N N 26 118.294 118.294 118.336 -0.042 18749
2204 1 7 . 1 1 26 26 ASN HA H 26 4.570 4.570 4.634 -0.064 18749
2205 1 7 . 1 1 26 26 ASN C C 26 175.502 175.502 176.293 -0.791 18749
2206 1 7 . 1 1 26 26 ASN CA C 26 53.980 53.980 55.540 -1.560 18749
2207 1 7 . 1 1 26 26 ASN CB C 26 38.066 38.066 38.086 -0.020 18749
2208 1 7 . 1 1 26 26 ASN H H 26 8.562 8.562 8.296 0.266 18749
2209 1 7 . 1 1 27 27 ALA N N 27 126.538 126.538 122.125 4.413 18749
2210 1 7 . 1 1 27 27 ALA C C 27 177.920 177.920 178.416 -0.496 18749
2211 1 7 . 1 1 27 27 ALA CA C 27 53.567 53.567 54.356 -0.789 18749
2212 1 7 . 1 1 27 27 ALA CB C 27 18.852 18.852 18.376 0.476 18749
2213 1 7 . 1 1 27 27 ALA H H 27 8.217 8.217 8.063 0.154 18749
2214 1 7 . 1 1 28 28 GLU N N 28 112.911 112.911 116.848 -3.937 18749
2215 1 7 . 1 1 28 28 GLU HA H 28 4.099 4.099 4.072 0.027 18749
2216 1 7 . 1 1 28 28 GLU C C 28 177.423 177.423 176.852 0.571 18749
2217 1 7 . 1 1 28 28 GLU CA C 28 57.783 57.783 57.257 0.526 18749
2218 1 7 . 1 1 28 28 GLU CB C 28 30.926 30.926 30.083 0.843 18749
2219 1 7 . 1 1 28 28 GLU H H 28 8.608 8.608 8.289 0.319 18749
2220 1 7 . 1 1 29 29 ASP N N 29 116.209 116.209 118.387 -2.178 18749
2221 1 7 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.357 0.077 18749
2222 1 7 . 1 1 29 29 ASP C C 29 174.486 174.486 175.387 -0.901 18749
2223 1 7 . 1 1 29 29 ASP CA C 29 55.349 55.349 52.861 2.488 18749
2224 1 7 . 1 1 29 29 ASP CB C 29 42.596 42.596 41.955 0.642 18749
2225 1 7 . 1 1 29 29 ASP H H 29 7.272 7.272 7.526 -0.254 18749
2226 1 7 . 1 1 30 30 TYR N N 30 116.344 116.344 117.632 -1.288 18749
2227 1 7 . 1 1 30 30 TYR CA C 30 57.018 57.018 58.500 -1.482 18749
2228 1 7 . 1 1 30 30 TYR CB C 30 43.459 43.459 39.466 3.993 18749
2229 1 7 . 1 1 30 30 TYR H H 30 7.281 7.281 7.807 -0.526 18749
2230 1 7 . 1 1 31 31 LYS C C 31 177.018 177.018 175.584 1.434 18749
2231 1 7 . 1 1 32 32 HIS N N 32 116.170 116.170 118.436 -2.266 18749
2232 1 7 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.645 -0.843 18749
2233 1 7 . 1 1 32 32 HIS C C 32 173.979 173.979 176.598 -2.619 18749
2234 1 7 . 1 1 32 32 HIS CA C 32 55.136 55.136 57.826 -2.690 18749
2235 1 7 . 1 1 32 32 HIS CB C 32 33.128 33.128 29.789 3.339 18749
2236 1 7 . 1 1 32 32 HIS H H 32 7.691 7.691 8.529 -0.838 18749
2237 1 7 . 1 1 33 33 THR N N 33 108.605 108.605 111.042 -2.437 18749
2238 1 7 . 1 1 33 33 THR HA H 33 4.424 4.424 4.264 0.160 18749
2239 1 7 . 1 1 33 33 THR C C 33 175.107 175.107 175.564 -0.457 18749
2240 1 7 . 1 1 33 33 THR CA C 33 60.218 60.218 64.666 -4.448 18749
2241 1 7 . 1 1 33 33 THR CB C 33 69.476 69.476 68.844 0.631 18749
2242 1 7 . 1 1 33 33 THR H H 33 8.051 8.051 8.126 -0.075 18749
2243 1 7 . 1 1 34 34 ASP N N 34 121.404 121.404 121.300 0.104 18749
2244 1 7 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.498 0.092 18749
2245 1 7 . 1 1 34 34 ASP C C 34 175.334 175.334 176.782 -1.448 18749
2246 1 7 . 1 1 34 34 ASP CA C 34 53.564 53.564 56.274 -2.710 18749
2247 1 7 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.106 0.314 18749
2248 1 7 . 1 1 34 34 ASP H H 34 7.973 7.973 8.431 -0.458 18749
2249 1 7 . 1 1 35 35 MET N N 35 119.898 119.898 116.853 3.045 18749
2250 1 7 . 1 1 35 35 MET HA H 35 4.398 4.398 4.310 0.088 18749
2251 1 7 . 1 1 35 35 MET C C 35 174.846 174.846 176.693 -1.847 18749
2252 1 7 . 1 1 35 35 MET CA C 35 55.631 55.631 56.719 -1.088 18749
2253 1 7 . 1 1 35 35 MET CB C 35 33.382 33.382 32.900 0.482 18749
2254 1 7 . 1 1 35 35 MET H H 35 7.585 7.585 7.382 0.203 18749
2255 1 7 . 1 1 36 36 ASP N N 36 123.631 123.631 119.906 3.725 18749
2256 1 7 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.692 -0.206 18749
2257 1 7 . 1 1 36 36 ASP C C 36 176.456 176.456 175.706 0.750 18749
2258 1 7 . 1 1 36 36 ASP CA C 36 54.279 54.279 53.957 0.322 18749
2259 1 7 . 1 1 36 36 ASP CB C 36 41.156 41.156 40.799 0.357 18749
2260 1 7 . 1 1 36 36 ASP H H 36 8.360 8.360 7.832 0.528 18749
2261 1 7 . 1 1 37 37 LEU N N 37 123.812 123.812 124.729 -0.917 18749
2262 1 7 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.311 -0.008 18749
2263 1 7 . 1 1 37 37 LEU C C 37 177.554 177.554 177.360 0.194 18749
2264 1 7 . 1 1 37 37 LEU CA C 37 55.317 55.317 55.221 0.096 18749
2265 1 7 . 1 1 37 37 LEU CB C 37 41.945 41.945 42.244 -0.299 18749
2266 1 7 . 1 1 37 37 LEU H H 37 8.224 8.224 8.291 -0.067 18749
2267 1 7 . 1 1 38 38 THR N N 38 113.723 113.723 113.811 -0.088 18749
2268 1 7 . 1 1 38 38 THR HA H 38 4.153 4.153 4.429 -0.276 18749
2269 1 7 . 1 1 38 38 THR C C 38 174.786 174.786 173.408 1.378 18749
2270 1 7 . 1 1 38 38 THR CA C 38 62.673 62.673 60.895 1.778 18749
2271 1 7 . 1 1 38 38 THR CB C 38 69.792 69.792 70.777 -0.985 18749
2272 1 7 . 1 1 38 38 THR H H 38 8.321 8.321 7.980 0.341 18749
2273 1 7 . 1 1 39 39 TYR N N 39 121.098 121.098 120.918 0.180 18749
2274 1 7 . 1 1 39 39 TYR C C 39 175.992 175.992 177.163 -1.171 18749
2275 1 7 . 1 1 39 39 TYR CA C 39 58.083 58.083 57.961 0.122 18749
2276 1 7 . 1 1 39 39 TYR CB C 39 38.309 38.309 39.147 -0.838 18749
2277 1 7 . 1 1 39 39 TYR H H 39 7.920 7.920 8.580 -0.660 18749
2278 1 7 . 1 1 40 40 THR N N 40 113.380 113.380 114.636 -1.256 18749
2279 1 7 . 1 1 40 40 THR C C 40 174.356 174.356 174.839 -0.483 18749
2280 1 7 . 1 1 40 40 THR CA C 40 61.801 61.801 64.366 -2.565 18749
2281 1 7 . 1 1 40 40 THR CB C 40 69.965 69.965 69.063 0.902 18749
2282 1 7 . 1 1 40 40 THR H H 40 7.885 7.885 8.380 -0.495 18749
2283 1 7 . 1 1 41 41 ASP N N 41 121.537 121.537 122.817 -1.280 18749
2284 1 7 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.571 -0.103 18749
2285 1 7 . 1 1 41 41 ASP C C 41 176.338 176.338 175.711 0.627 18749
2286 1 7 . 1 1 41 41 ASP CA C 41 54.674 54.674 54.019 0.655 18749
2287 1 7 . 1 1 41 41 ASP CB C 41 40.996 40.996 40.747 0.249 18749
2288 1 7 . 1 1 41 41 ASP H H 41 8.184 8.184 8.297 -0.113 18749
2289 1 7 . 1 1 42 42 ARG N N 42 119.745 119.745 124.643 -4.898 18749
2290 1 7 . 1 1 42 42 ARG HA H 42 4.171 4.171 4.235 -0.064 18749
2291 1 7 . 1 1 42 42 ARG C C 42 175.906 175.906 175.446 0.460 18749
2292 1 7 . 1 1 42 42 ARG CA C 42 56.644 56.644 55.833 0.811 18749
2293 1 7 . 1 1 42 42 ARG CB C 42 30.788 30.788 30.857 -0.069 18749
2294 1 7 . 1 1 42 42 ARG H H 42 7.997 7.997 8.060 -0.063 18749
2295 1 7 . 1 1 43 43 ASP N N 43 119.314 119.314 122.882 -3.568 18749
2296 1 7 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.608 -0.105 18749
2297 1 7 . 1 1 43 43 ASP C C 43 175.599 175.599 175.724 -0.125 18749
2298 1 7 . 1 1 43 43 ASP CA C 43 54.368 54.368 54.251 0.117 18749
2299 1 7 . 1 1 43 43 ASP CB C 43 41.071 41.071 40.747 0.324 18749
2300 1 7 . 1 1 43 43 ASP H H 43 8.181 8.181 8.370 -0.189 18749
2301 1 7 . 1 1 44 44 TYR N N 44 120.178 120.178 124.135 -3.957 18749
2302 1 7 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.455 -0.131 18749
2303 1 7 . 1 1 44 44 TYR C C 44 175.321 175.321 176.598 -1.277 18749
2304 1 7 . 1 1 44 44 TYR CA C 44 58.553 58.553 58.261 0.292 18749
2305 1 7 . 1 1 44 44 TYR CB C 44 38.614 38.614 38.987 -0.373 18749
2306 1 7 . 1 1 44 44 TYR H H 44 7.806 7.806 8.388 -0.582 18749
2307 1 7 . 1 1 45 45 LYS N N 45 123.353 123.353 124.488 -1.135 18749
2308 1 7 . 1 1 45 45 LYS CA C 45 55.745 55.745 56.372 -0.627 18749
2309 1 7 . 1 1 45 45 LYS CB C 45 33.789 33.789 32.812 0.977 18749
2310 1 7 . 1 1 45 45 LYS H H 45 7.731 7.731 8.602 -0.871 18749
2311 1 7 . 1 1 47 47 CYS N N 47 125.060 125.060 121.594 3.466 18749
2312 1 7 . 1 1 47 47 CYS H H 47 8.811 8.811 7.937 0.874 18749
2313 1 7 . 1 1 48 48 GLU C C 48 178.473 178.473 176.121 2.352 18749
2314 1 7 . 1 1 49 49 SER N N 49 120.359 120.359 121.975 -1.616 18749
2315 1 7 . 1 1 49 49 SER C C 49 172.276 172.276 173.482 -1.206 18749
2316 1 7 . 1 1 49 49 SER CA C 49 61.125 61.125 59.803 1.322 18749
2317 1 7 . 1 1 49 49 SER CB C 49 63.224 63.224 63.557 -0.333 18749
2318 1 7 . 1 1 49 49 SER H H 49 8.737 8.737 8.586 0.151 18749
2319 1 7 . 1 1 50 50 TYR N N 50 110.556 110.556 114.451 -3.895 18749
2320 1 7 . 1 1 50 50 TYR C C 50 175.624 175.624 173.262 2.362 18749
2321 1 7 . 1 1 50 50 TYR CA C 50 59.205 59.205 57.242 1.963 18749
2322 1 7 . 1 1 50 50 TYR CB C 50 38.197 38.197 41.654 -3.458 18749
2323 1 7 . 1 1 50 50 TYR H H 50 6.326 6.326 7.772 -1.446 18749
2324 1 7 . 1 1 51 51 HIS N N 51 119.871 119.871 116.555 3.316 18749
2325 1 7 . 1 1 51 51 HIS HA H 51 3.757 3.757 5.080 -1.323 18749
2326 1 7 . 1 1 51 51 HIS C C 51 176.588 176.588 176.049 0.539 18749
2327 1 7 . 1 1 51 51 HIS CA C 51 59.323 59.323 55.453 3.870 18749
2328 1 7 . 1 1 51 51 HIS CB C 51 27.514 27.514 30.170 -2.656 18749
2329 1 7 . 1 1 51 51 HIS H H 51 5.890 5.890 8.466 -2.576 18749
2330 1 7 . 1 1 52 52 LYS N N 52 122.505 122.505 120.303 2.202 18749
2331 1 7 . 1 1 52 52 LYS C C 52 178.958 178.958 177.004 1.954 18749
2332 1 7 . 1 1 52 52 LYS CA C 52 58.922 58.922 58.773 0.149 18749
2333 1 7 . 1 1 52 52 LYS CB C 52 31.291 31.291 32.556 -1.265 18749
2334 1 7 . 1 1 52 52 LYS H H 52 7.660 7.660 8.416 -0.756 18749
2335 1 7 . 1 1 53 53 CYS N N 53 117.268 117.268 116.079 1.189 18749
2336 1 7 . 1 1 53 53 CYS C C 53 179.241 179.241 175.796 3.445 18749
2337 1 7 . 1 1 53 53 CYS CA C 53 64.802 64.802 57.155 7.647 18749
2338 1 7 . 1 1 53 53 CYS CB C 53 30.906 30.906 30.807 0.099 18749
2339 1 7 . 1 1 53 53 CYS H H 53 8.256 8.256 7.840 0.416 18749
2340 1 7 . 1 1 54 54 SER N N 54 111.716 111.716 116.603 -4.887 18749
2341 1 7 . 1 1 54 54 SER HA H 54 3.839 3.839 4.214 -0.375 18749
2342 1 7 . 1 1 54 54 SER C C 54 175.922 175.922 174.911 1.011 18749
2343 1 7 . 1 1 54 54 SER CA C 54 60.263 60.263 60.617 -0.354 18749
2344 1 7 . 1 1 54 54 SER CB C 54 64.120 64.120 62.991 1.129 18749
2345 1 7 . 1 1 54 54 SER H H 54 7.671 7.671 8.563 -0.892 18749
2346 1 7 . 1 1 55 55 ASP N N 55 119.056 119.056 117.611 1.445 18749
2347 1 7 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.279 0.016 18749
2348 1 7 . 1 1 55 55 ASP C C 55 178.101 178.101 176.730 1.371 18749
2349 1 7 . 1 1 55 55 ASP CA C 55 57.387 57.387 56.486 0.901 18749
2350 1 7 . 1 1 55 55 ASP CB C 55 40.315 40.315 39.398 0.916 18749
2351 1 7 . 1 1 55 55 ASP H H 55 7.438 7.438 8.454 -1.016 18749
2352 1 7 . 1 1 56 56 LEU N N 56 118.324 118.324 119.184 -0.860 18749
2353 1 7 . 1 1 56 56 LEU HA H 56 4.168 4.168 4.210 -0.042 18749
2354 1 7 . 1 1 56 56 LEU C C 56 176.250 176.250 177.236 -0.986 18749
2355 1 7 . 1 1 56 56 LEU CA C 56 55.333 55.333 56.948 -1.615 18749
2356 1 7 . 1 1 56 56 LEU CB C 56 43.173 43.173 42.351 0.822 18749
2357 1 7 . 1 1 56 56 LEU H H 56 7.565 7.565 7.429 0.136 18749
2358 1 7 . 1 1 57 57 CYS N N 57 124.095 124.095 116.489 7.606 18749
2359 1 7 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.787 -0.532 18749
2360 1 7 . 1 1 57 57 CYS C C 57 177.371 177.371 175.892 1.479 18749
2361 1 7 . 1 1 57 57 CYS CA C 57 59.255 59.255 56.823 2.432 18749
2362 1 7 . 1 1 57 57 CYS CB C 57 30.128 30.128 27.924 2.204 18749
2363 1 7 . 1 1 57 57 CYS H H 57 7.265 7.265 7.968 -0.703 18749
2364 1 7 . 1 1 58 58 GLN N N 58 131.839 131.839 128.514 3.325 18749
2365 1 7 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.139 -0.216 18749
2366 1 7 . 1 1 58 58 GLN C C 58 178.435 178.435 177.667 0.768 18749
2367 1 7 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.275 1.013 18749
2368 1 7 . 1 1 58 58 GLN CB C 58 28.195 28.195 28.677 -0.482 18749
2369 1 7 . 1 1 58 58 GLN H H 58 9.451 9.451 8.871 0.580 18749
2370 1 7 . 1 1 59 59 TYR N N 59 124.026 124.026 120.834 3.192 18749
2371 1 7 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.569 -0.140 18749
2372 1 7 . 1 1 59 59 TYR C C 59 178.722 178.722 177.110 1.612 18749
2373 1 7 . 1 1 59 59 TYR CA C 59 60.295 60.295 61.344 -1.049 18749
2374 1 7 . 1 1 59 59 TYR CB C 59 38.591 38.591 38.790 -0.199 18749
2375 1 7 . 1 1 59 59 TYR H H 59 8.699 8.699 8.158 0.541 18749
2376 1 7 . 1 1 60 60 CYS N N 60 122.268 122.268 117.546 4.722 18749
2377 1 7 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.564 -0.247 18749
2378 1 7 . 1 1 60 60 CYS C C 60 176.011 176.011 177.262 -1.251 18749
2379 1 7 . 1 1 60 60 CYS CA C 60 64.499 64.499 61.367 3.132 18749
2380 1 7 . 1 1 60 60 CYS CB C 60 30.203 30.203 25.867 4.336 18749
2381 1 7 . 1 1 60 60 CYS H H 60 8.432 8.432 8.037 0.395 18749
2382 1 7 . 1 1 61 61 ARG N N 61 116.449 116.449 118.422 -1.973 18749
2383 1 7 . 1 1 61 61 ARG HA H 61 3.895 3.895 3.921 -0.026 18749
2384 1 7 . 1 1 61 61 ARG C C 61 176.965 176.965 177.001 -0.036 18749
2385 1 7 . 1 1 61 61 ARG CA C 61 58.336 58.336 58.795 -0.459 18749
2386 1 7 . 1 1 61 61 ARG CB C 61 29.771 29.771 29.808 -0.037 18749
2387 1 7 . 1 1 61 61 ARG H H 61 7.265 7.265 7.570 -0.305 18749
2388 1 7 . 1 1 62 62 TYR N N 62 117.341 117.341 115.507 1.834 18749
2389 1 7 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.363 0.106 18749
2390 1 7 . 1 1 62 62 TYR C C 62 175.562 175.562 176.840 -1.278 18749
2391 1 7 . 1 1 62 62 TYR CA C 62 58.566 58.566 60.030 -1.464 18749
2392 1 7 . 1 1 62 62 TYR CB C 62 39.182 39.182 39.560 -0.378 18749
2393 1 7 . 1 1 62 62 TYR H H 62 7.259 7.259 7.546 -0.287 18749
2394 1 7 . 1 1 63 63 GLN N N 63 121.663 121.663 117.459 4.204 18749
2395 1 7 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.553 -0.343 18749
2396 1 7 . 1 1 63 63 GLN C C 63 173.076 173.076 175.061 -1.985 18749
2397 1 7 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.851 -0.359 18749
2398 1 7 . 1 1 63 63 GLN CB C 63 29.401 29.401 31.887 -2.486 18749
2399 1 7 . 1 1 63 63 GLN H H 63 7.856 7.856 7.823 0.033 18749
2400 1 7 . 1 1 64 64 LYS N N 64 127.668 127.668 125.591 2.077 18749
2401 1 7 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.097 0.204 18749
2402 1 7 . 1 1 64 64 LYS C C 64 177.301 177.301 176.104 1.197 18749
2403 1 7 . 1 1 64 64 LYS CA C 64 58.182 58.182 57.505 0.677 18749
2404 1 7 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.545 -0.031 18749
2405 1 7 . 1 1 64 64 LYS H H 64 8.204 8.204 8.648 -0.444 18749
2406 1 7 . 1 1 65 65 ASP N N 65 131.040 131.040 122.950 8.090 18749
2407 1 7 . 1 1 65 65 ASP C C 65 174.529 174.529 176.924 -2.395 18749
2408 1 7 . 1 1 65 65 ASP CA C 65 53.232 53.232 53.997 -0.765 18749
2409 1 7 . 1 1 65 65 ASP CB C 65 41.222 41.222 40.879 0.343 18749
2410 1 7 . 1 1 65 65 ASP H H 65 8.677 8.677 8.434 0.243 18749
2411 1 7 . 1 1 66 66 LEU N N 66 125.688 125.688 121.105 4.583 18749
2412 1 7 . 1 1 66 66 LEU HA H 66 4.088 4.088 4.040 0.048 18749
2413 1 7 . 1 1 66 66 LEU C C 66 178.676 178.676 177.463 1.213 18749
2414 1 7 . 1 1 66 66 LEU CA C 66 57.836 57.836 55.689 2.147 18749
2415 1 7 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.383 1.813 18749
2416 1 7 . 1 1 66 66 LEU H H 66 8.733 8.733 8.035 0.698 18749
2417 1 7 . 1 1 67 67 ALA N N 67 119.916 119.916 121.454 -1.538 18749
2418 1 7 . 1 1 67 67 ALA C C 67 180.513 180.513 178.683 1.830 18749
2419 1 7 . 1 1 67 67 ALA CA C 67 55.151 55.151 54.320 0.831 18749
2420 1 7 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.301 -0.183 18749
2421 1 7 . 1 1 67 67 ALA H H 67 8.076 8.076 7.712 0.364 18749
2422 1 7 . 1 1 68 68 ILE N N 68 119.735 119.735 114.082 5.653 18749
2423 1 7 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.821 -0.162 18749
2424 1 7 . 1 1 68 68 ILE C C 68 177.647 177.647 176.148 1.499 18749
2425 1 7 . 1 1 68 68 ILE CA C 68 63.267 63.267 63.331 -0.064 18749
2426 1 7 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.683 -0.345 18749
2427 1 7 . 1 1 68 68 ILE H H 68 7.342 7.342 7.036 0.306 18749
2428 1 7 . 1 1 69 69 HIS N N 69 119.542 119.542 120.620 -1.078 18749
2429 1 7 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.244 0.059 18749
2430 1 7 . 1 1 69 69 HIS CA C 69 59.224 59.224 55.794 3.429 18749
2431 1 7 . 1 1 69 69 HIS CB C 69 28.569 28.569 30.192 -1.623 18749
2432 1 7 . 1 1 69 69 HIS H H 69 6.608 6.608 7.974 -1.366 18749
2433 1 7 . 1 1 84 84 GLY C C 84 174.391 174.391 174.607 -0.216 18749
2434 1 7 . 1 1 84 84 GLY CA C 84 45.472 45.472 45.885 -0.413 18749
2435 1 7 . 1 1 85 85 THR N N 85 112.734 112.734 117.856 -5.122 18749
2436 1 7 . 1 1 85 85 THR C C 85 175.056 175.056 173.723 1.333 18749
2437 1 7 . 1 1 85 85 THR CA C 85 61.980 61.980 63.625 -1.645 18749
2438 1 7 . 1 1 85 85 THR CB C 85 69.868 69.868 69.369 0.499 18749
2439 1 7 . 1 1 85 85 THR H H 85 8.012 8.012 7.758 0.254 18749
2440 1 7 . 1 1 86 86 GLY N N 86 111.173 111.173 111.623 -0.450 18749
2441 1 7 . 1 1 86 86 GLY C C 86 172.909 172.909 171.826 1.083 18749
2442 1 7 . 1 1 86 86 GLY CA C 86 45.268 45.268 45.062 0.207 18749
2443 1 7 . 1 1 86 86 GLY H H 86 8.276 8.276 7.684 0.592 18749
2444 1 8 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.556 -0.165 18749
2445 1 8 . 1 1 4 4 PRO C C 4 176.097 176.097 175.303 0.794 18749
2446 1 8 . 1 1 4 4 PRO CA C 4 62.965 62.965 63.351 -0.386 18749
2447 1 8 . 1 1 4 4 PRO CB C 4 31.902 31.902 32.617 -0.715 18749
2448 1 8 . 1 1 5 5 VAL N N 5 121.993 121.993 121.622 0.371 18749
2449 1 8 . 1 1 5 5 VAL HA H 5 4.341 4.341 4.123 0.218 18749
2450 1 8 . 1 1 5 5 VAL CA C 5 59.763 59.763 60.080 -0.317 18749
2451 1 8 . 1 1 5 5 VAL CB C 5 32.567 32.567 33.407 -0.841 18749
2452 1 8 . 1 1 5 5 VAL H H 5 8.149 8.149 7.948 0.201 18749
2453 1 8 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.094 0.162 18749
2454 1 8 . 1 1 6 6 PRO C C 6 176.167 176.167 176.395 -0.228 18749
2455 1 8 . 1 1 6 6 PRO CA C 6 63.138 63.138 63.691 -0.553 18749
2456 1 8 . 1 1 6 6 PRO CB C 6 31.877 31.877 31.517 0.360 18749
2457 1 8 . 1 1 7 7 TYR N N 7 121.107 121.107 118.217 2.890 18749
2458 1 8 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.601 -0.158 18749
2459 1 8 . 1 1 7 7 TYR CA C 7 55.602 55.602 54.855 0.748 18749
2460 1 8 . 1 1 7 7 TYR CB C 7 38.212 38.212 36.577 1.635 18749
2461 1 8 . 1 1 7 7 TYR H H 7 7.945 7.945 6.621 1.324 18749
2462 1 8 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.620 -0.332 18749
2463 1 8 . 1 1 8 8 PRO C C 8 176.122 176.122 175.323 0.799 18749
2464 1 8 . 1 1 8 8 PRO CA C 8 62.983 62.983 62.803 0.180 18749
2465 1 8 . 1 1 8 8 PRO CB C 8 31.913 31.913 32.951 -1.038 18749
2466 1 8 . 1 1 9 9 ASP N N 9 122.332 122.332 117.378 4.954 18749
2467 1 8 . 1 1 9 9 ASP HA H 9 4.466 4.466 4.906 -0.440 18749
2468 1 8 . 1 1 9 9 ASP CA C 9 52.317 52.317 51.763 0.554 18749
2469 1 8 . 1 1 9 9 ASP CB C 9 41.371 41.371 40.369 1.002 18749
2470 1 8 . 1 1 9 9 ASP H H 9 8.204 8.204 8.109 0.095 18749
2471 1 8 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.347 -0.038 18749
2472 1 8 . 1 1 10 10 PRO C C 10 177.003 177.003 177.682 -0.679 18749
2473 1 8 . 1 1 10 10 PRO CA C 10 63.635 63.635 64.351 -0.716 18749
2474 1 8 . 1 1 10 10 PRO CB C 10 32.207 32.207 32.041 0.166 18749
2475 1 8 . 1 1 11 11 LEU N N 11 120.566 120.566 116.521 4.045 18749
2476 1 8 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.201 0.020 18749
2477 1 8 . 1 1 11 11 LEU C C 11 177.277 177.277 176.452 0.825 18749
2478 1 8 . 1 1 11 11 LEU CA C 11 54.938 54.938 55.198 -0.260 18749
2479 1 8 . 1 1 11 11 LEU CB C 11 41.908 41.908 41.899 0.009 18749
2480 1 8 . 1 1 11 11 LEU H H 11 8.295 8.295 7.623 0.672 18749
2481 1 8 . 1 1 12 12 GLU N N 12 122.415 122.415 113.284 9.131 18749
2482 1 8 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.033 0.351 18749
2483 1 8 . 1 1 12 12 GLU CA C 12 54.384 54.384 56.031 -1.647 18749
2484 1 8 . 1 1 12 12 GLU CB C 12 29.988 29.988 27.470 2.518 18749
2485 1 8 . 1 1 12 12 GLU H H 12 7.857 7.857 8.242 -0.385 18749
2486 1 8 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.151 0.098 18749
2487 1 8 . 1 1 13 13 PRO C C 13 177.132 177.132 178.303 -1.171 18749
2488 1 8 . 1 1 13 13 PRO CA C 13 63.458 63.458 64.565 -1.107 18749
2489 1 8 . 1 1 13 13 PRO CB C 13 31.862 31.862 31.720 0.142 18749
2490 1 8 . 1 1 14 14 ARG N N 14 121.214 121.214 117.997 3.217 18749
2491 1 8 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.072 0.087 18749
2492 1 8 . 1 1 14 14 ARG CA C 14 56.162 56.162 57.632 -1.470 18749
2493 1 8 . 1 1 14 14 ARG CB C 14 30.632 30.632 30.477 0.155 18749
2494 1 8 . 1 1 14 14 ARG H H 14 8.337 8.337 8.447 -0.110 18749
2495 1 8 . 1 1 15 15 GLY N N 15 109.686 109.686 105.252 4.434 18749
2496 1 8 . 1 1 15 15 GLY C C 15 174.130 174.130 172.943 1.187 18749
2497 1 8 . 1 1 15 15 GLY CA C 15 45.312 45.312 45.058 0.254 18749
2498 1 8 . 1 1 15 15 GLY H H 15 8.280 8.280 7.408 0.872 18749
2499 1 8 . 1 1 16 16 GLY N N 16 108.011 108.011 106.422 1.589 18749
2500 1 8 . 1 1 16 16 GLY C C 16 172.056 172.056 175.024 -2.968 18749
2501 1 8 . 1 1 16 16 GLY CA C 16 44.895 44.895 45.224 -0.329 18749
2502 1 8 . 1 1 16 16 GLY H H 16 7.764 7.764 8.081 -0.317 18749
2503 1 8 . 1 1 17 17 LYS N N 17 117.049 117.049 124.687 -7.638 18749
2504 1 8 . 1 1 17 17 LYS HA H 17 4.135 4.135 4.145 -0.010 18749
2505 1 8 . 1 1 17 17 LYS C C 17 175.259 175.259 177.321 -2.062 18749
2506 1 8 . 1 1 17 17 LYS CA C 17 53.914 53.914 58.112 -4.199 18749
2507 1 8 . 1 1 17 17 LYS CB C 17 35.219 35.219 32.336 2.883 18749
2508 1 8 . 1 1 17 17 LYS H H 17 7.347 7.347 8.802 -1.455 18749
2509 1 8 . 1 1 18 18 HIS N N 18 120.426 120.426 116.507 3.919 18749
2510 1 8 . 1 1 18 18 HIS C C 18 175.419 175.419 175.060 0.359 18749
2511 1 8 . 1 1 18 18 HIS CA C 18 57.086 57.086 57.969 -0.883 18749
2512 1 8 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.354 0.139 18749
2513 1 8 . 1 1 19 19 ILE N N 19 126.193 126.193 116.618 9.575 18749
2514 1 8 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.467 -0.013 18749
2515 1 8 . 1 1 19 19 ILE C C 19 175.138 175.138 175.160 -0.022 18749
2516 1 8 . 1 1 19 19 ILE CA C 19 59.189 59.189 59.593 -0.404 18749
2517 1 8 . 1 1 19 19 ILE CB C 19 41.816 41.816 39.599 2.217 18749
2518 1 8 . 1 1 19 19 ILE H H 19 8.180 8.180 7.199 0.981 18749
2519 1 8 . 1 1 20 20 CYS N N 20 127.805 127.805 127.754 0.051 18749
2520 1 8 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.555 0.360 18749
2521 1 8 . 1 1 20 20 CYS C C 20 174.996 174.996 176.106 -1.110 18749
2522 1 8 . 1 1 20 20 CYS CA C 20 57.370 57.370 58.602 -1.232 18749
2523 1 8 . 1 1 20 20 CYS CB C 20 32.008 32.008 29.909 2.099 18749
2524 1 8 . 1 1 20 20 CYS H H 20 8.382 8.382 8.759 -0.377 18749
2525 1 8 . 1 1 21 21 ALA N N 21 135.406 135.406 129.360 6.046 18749
2526 1 8 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.235 -0.073 18749
2527 1 8 . 1 1 21 21 ALA C C 21 177.885 177.885 177.306 0.579 18749
2528 1 8 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.115 0.377 18749
2529 1 8 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.774 0.851 18749
2530 1 8 . 1 1 21 21 ALA H H 21 8.742 8.742 8.579 0.163 18749
2531 1 8 . 1 1 22 22 ILE N N 22 119.063 119.063 116.287 2.776 18749
2532 1 8 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.351 -0.489 18749
2533 1 8 . 1 1 22 22 ILE C C 22 176.914 176.914 177.334 -0.420 18749
2534 1 8 . 1 1 22 22 ILE CA C 22 63.218 63.218 61.113 2.105 18749
2535 1 8 . 1 1 22 22 ILE CB C 22 37.371 37.371 38.324 -0.953 18749
2536 1 8 . 1 1 22 22 ILE H H 22 8.150 8.150 7.654 0.496 18749
2537 1 8 . 1 1 23 23 CYS N N 23 114.362 114.362 118.645 -4.283 18749
2538 1 8 . 1 1 23 23 CYS C C 23 176.216 176.216 175.770 0.446 18749
2539 1 8 . 1 1 23 23 CYS CA C 23 57.878 57.878 59.952 -2.074 18749
2540 1 8 . 1 1 23 23 CYS CB C 23 30.456 30.456 27.745 2.711 18749
2541 1 8 . 1 1 23 23 CYS H H 23 7.238 7.238 8.197 -0.959 18749
2542 1 8 . 1 1 24 24 GLY N N 24 111.898 111.898 107.143 4.755 18749
2543 1 8 . 1 1 24 24 GLY C C 24 173.367 173.367 173.883 -0.516 18749
2544 1 8 . 1 1 24 24 GLY CA C 24 46.222 46.222 46.354 -0.132 18749
2545 1 8 . 1 1 24 24 GLY H H 24 7.566 7.566 8.618 -1.052 18749
2546 1 8 . 1 1 25 25 ASN N N 25 117.684 117.684 114.918 2.766 18749
2547 1 8 . 1 1 25 25 ASN HA H 25 4.763 4.763 5.039 -0.276 18749
2548 1 8 . 1 1 25 25 ASN C C 25 174.631 174.631 174.291 0.340 18749
2549 1 8 . 1 1 25 25 ASN CA C 25 51.901 51.901 52.151 -0.249 18749
2550 1 8 . 1 1 25 25 ASN CB C 25 40.666 40.666 38.556 2.110 18749
2551 1 8 . 1 1 25 25 ASN H H 25 7.781 7.781 8.569 -0.788 18749
2552 1 8 . 1 1 26 26 ASN N N 26 118.294 118.294 117.752 0.542 18749
2553 1 8 . 1 1 26 26 ASN HA H 26 4.570 4.570 4.794 -0.224 18749
2554 1 8 . 1 1 26 26 ASN C C 26 175.502 175.502 175.508 -0.006 18749
2555 1 8 . 1 1 26 26 ASN CA C 26 53.980 53.980 54.479 -0.499 18749
2556 1 8 . 1 1 26 26 ASN CB C 26 38.066 38.066 38.840 -0.774 18749
2557 1 8 . 1 1 26 26 ASN H H 26 8.562 8.562 8.449 0.113 18749
2558 1 8 . 1 1 27 27 ALA N N 27 126.538 126.538 122.175 4.363 18749
2559 1 8 . 1 1 27 27 ALA C C 27 177.920 177.920 175.384 2.536 18749
2560 1 8 . 1 1 27 27 ALA CA C 27 53.567 53.567 52.549 1.018 18749
2561 1 8 . 1 1 27 27 ALA CB C 27 18.852 18.852 16.993 1.859 18749
2562 1 8 . 1 1 27 27 ALA H H 27 8.217 8.217 8.339 -0.122 18749
2563 1 8 . 1 1 28 28 GLU N N 28 112.911 112.911 119.194 -6.283 18749
2564 1 8 . 1 1 28 28 GLU HA H 28 4.099 4.099 4.329 -0.230 18749
2565 1 8 . 1 1 28 28 GLU C C 28 177.423 177.423 175.427 1.996 18749
2566 1 8 . 1 1 28 28 GLU CA C 28 57.783 57.783 57.456 0.327 18749
2567 1 8 . 1 1 28 28 GLU CB C 28 30.926 30.926 31.865 -0.939 18749
2568 1 8 . 1 1 28 28 GLU H H 28 8.608 8.608 8.378 0.230 18749
2569 1 8 . 1 1 29 29 ASP N N 29 116.209 116.209 118.768 -2.559 18749
2570 1 8 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.516 -0.082 18749
2571 1 8 . 1 1 29 29 ASP C C 29 174.486 174.486 174.799 -0.313 18749
2572 1 8 . 1 1 29 29 ASP CA C 29 55.349 55.349 54.757 0.592 18749
2573 1 8 . 1 1 29 29 ASP CB C 29 42.596 42.596 41.606 0.990 18749
2574 1 8 . 1 1 29 29 ASP H H 29 7.272 7.272 7.727 -0.455 18749
2575 1 8 . 1 1 30 30 TYR N N 30 116.344 116.344 120.834 -4.490 18749
2576 1 8 . 1 1 30 30 TYR CA C 30 57.018 57.018 59.134 -2.116 18749
2577 1 8 . 1 1 30 30 TYR CB C 30 43.459 43.459 39.193 4.266 18749
2578 1 8 . 1 1 30 30 TYR H H 30 7.281 7.281 8.438 -1.157 18749
2579 1 8 . 1 1 31 31 LYS C C 31 177.018 177.018 175.735 1.283 18749
2580 1 8 . 1 1 32 32 HIS N N 32 116.170 116.170 117.600 -1.430 18749
2581 1 8 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.650 -0.848 18749
2582 1 8 . 1 1 32 32 HIS C C 32 173.979 173.979 177.000 -3.021 18749
2583 1 8 . 1 1 32 32 HIS CA C 32 55.136 55.136 59.215 -4.079 18749
2584 1 8 . 1 1 32 32 HIS CB C 32 33.128 33.128 31.092 2.036 18749
2585 1 8 . 1 1 32 32 HIS H H 32 7.691 7.691 8.508 -0.817 18749
2586 1 8 . 1 1 33 33 THR N N 33 108.605 108.605 111.431 -2.826 18749
2587 1 8 . 1 1 33 33 THR HA H 33 4.424 4.424 4.284 0.140 18749
2588 1 8 . 1 1 33 33 THR C C 33 175.107 175.107 175.195 -0.088 18749
2589 1 8 . 1 1 33 33 THR CA C 33 60.218 60.218 63.755 -3.537 18749
2590 1 8 . 1 1 33 33 THR CB C 33 69.476 69.476 68.862 0.614 18749
2591 1 8 . 1 1 33 33 THR H H 33 8.051 8.051 7.776 0.275 18749
2592 1 8 . 1 1 34 34 ASP N N 34 121.404 121.404 120.208 1.196 18749
2593 1 8 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.561 0.029 18749
2594 1 8 . 1 1 34 34 ASP C C 34 175.334 175.334 176.082 -0.748 18749
2595 1 8 . 1 1 34 34 ASP CA C 34 53.564 53.564 55.918 -2.354 18749
2596 1 8 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.863 -0.443 18749
2597 1 8 . 1 1 34 34 ASP H H 34 7.973 7.973 8.574 -0.601 18749
2598 1 8 . 1 1 35 35 MET N N 35 119.898 119.898 118.999 0.899 18749
2599 1 8 . 1 1 35 35 MET HA H 35 4.398 4.398 4.435 -0.037 18749
2600 1 8 . 1 1 35 35 MET C C 35 174.846 174.846 175.885 -1.039 18749
2601 1 8 . 1 1 35 35 MET CA C 35 55.631 55.631 55.778 -0.146 18749
2602 1 8 . 1 1 35 35 MET CB C 35 33.382 33.382 33.376 0.006 18749
2603 1 8 . 1 1 35 35 MET H H 35 7.585 7.585 7.303 0.282 18749
2604 1 8 . 1 1 36 36 ASP N N 36 123.631 123.631 125.001 -1.370 18749
2605 1 8 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.661 -0.175 18749
2606 1 8 . 1 1 36 36 ASP C C 36 176.456 176.456 175.493 0.963 18749
2607 1 8 . 1 1 36 36 ASP CA C 36 54.279 54.279 54.306 -0.027 18749
2608 1 8 . 1 1 36 36 ASP CB C 36 41.156 41.156 40.458 0.698 18749
2609 1 8 . 1 1 36 36 ASP H H 36 8.360 8.360 8.602 -0.242 18749
2610 1 8 . 1 1 37 37 LEU N N 37 123.812 123.812 126.998 -3.186 18749
2611 1 8 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.785 -0.482 18749
2612 1 8 . 1 1 37 37 LEU C C 37 177.554 177.554 177.468 0.086 18749
2613 1 8 . 1 1 37 37 LEU CA C 37 55.317 55.317 54.582 0.735 18749
2614 1 8 . 1 1 37 37 LEU CB C 37 41.945 41.945 43.340 -1.395 18749
2615 1 8 . 1 1 37 37 LEU H H 37 8.224 8.224 8.125 0.099 18749
2616 1 8 . 1 1 38 38 THR N N 38 113.723 113.723 116.571 -2.848 18749
2617 1 8 . 1 1 38 38 THR HA H 38 4.153 4.153 4.108 0.045 18749
2618 1 8 . 1 1 38 38 THR C C 38 174.786 174.786 175.760 -0.974 18749
2619 1 8 . 1 1 38 38 THR CA C 38 62.673 62.673 64.392 -1.719 18749
2620 1 8 . 1 1 38 38 THR CB C 38 69.792 69.792 69.314 0.478 18749
2621 1 8 . 1 1 38 38 THR H H 38 8.321 8.321 8.585 -0.264 18749
2622 1 8 . 1 1 39 39 TYR N N 39 121.098 121.098 122.082 -0.984 18749
2623 1 8 . 1 1 39 39 TYR C C 39 175.992 175.992 175.180 0.812 18749
2624 1 8 . 1 1 39 39 TYR CA C 39 58.083 58.083 59.255 -1.172 18749
2625 1 8 . 1 1 39 39 TYR CB C 39 38.309 38.309 38.045 0.264 18749
2626 1 8 . 1 1 39 39 TYR H H 39 7.920 7.920 8.205 -0.285 18749
2627 1 8 . 1 1 40 40 THR N N 40 113.380 113.380 117.043 -3.663 18749
2628 1 8 . 1 1 40 40 THR C C 40 174.356 174.356 173.592 0.764 18749
2629 1 8 . 1 1 40 40 THR CA C 40 61.801 61.801 63.022 -1.221 18749
2630 1 8 . 1 1 40 40 THR CB C 40 69.965 69.965 69.096 0.869 18749
2631 1 8 . 1 1 40 40 THR H H 40 7.885 7.885 7.779 0.106 18749
2632 1 8 . 1 1 41 41 ASP N N 41 121.537 121.537 125.369 -3.832 18749
2633 1 8 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.589 -0.121 18749
2634 1 8 . 1 1 41 41 ASP C C 41 176.338 176.338 176.542 -0.204 18749
2635 1 8 . 1 1 41 41 ASP CA C 41 54.674 54.674 53.908 0.766 18749
2636 1 8 . 1 1 41 41 ASP CB C 41 40.996 40.996 42.033 -1.037 18749
2637 1 8 . 1 1 41 41 ASP H H 41 8.184 8.184 8.324 -0.140 18749
2638 1 8 . 1 1 42 42 ARG N N 42 119.745 119.745 120.531 -0.786 18749
2639 1 8 . 1 1 42 42 ARG HA H 42 4.171 4.171 4.280 -0.109 18749
2640 1 8 . 1 1 42 42 ARG C C 42 175.906 175.906 176.091 -0.185 18749
2641 1 8 . 1 1 42 42 ARG CA C 42 56.644 56.644 57.167 -0.523 18749
2642 1 8 . 1 1 42 42 ARG CB C 42 30.788 30.788 29.547 1.241 18749
2643 1 8 . 1 1 42 42 ARG H H 42 7.997 7.997 8.517 -0.520 18749
2644 1 8 . 1 1 43 43 ASP N N 43 119.314 119.314 122.585 -3.271 18749
2645 1 8 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.585 -0.082 18749
2646 1 8 . 1 1 43 43 ASP C C 43 175.599 175.599 175.848 -0.249 18749
2647 1 8 . 1 1 43 43 ASP CA C 43 54.368 54.368 54.011 0.356 18749
2648 1 8 . 1 1 43 43 ASP CB C 43 41.071 41.071 41.077 -0.006 18749
2649 1 8 . 1 1 43 43 ASP H H 43 8.181 8.181 8.376 -0.195 18749
2650 1 8 . 1 1 44 44 TYR N N 44 120.178 120.178 120.491 -0.313 18749
2651 1 8 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.451 -0.127 18749
2652 1 8 . 1 1 44 44 TYR C C 44 175.321 175.321 176.388 -1.067 18749
2653 1 8 . 1 1 44 44 TYR CA C 44 58.553 58.553 58.633 -0.080 18749
2654 1 8 . 1 1 44 44 TYR CB C 44 38.614 38.614 39.090 -0.476 18749
2655 1 8 . 1 1 44 44 TYR H H 44 7.806 7.806 7.803 0.003 18749
2656 1 8 . 1 1 45 45 LYS N N 45 123.353 123.353 123.104 0.249 18749
2657 1 8 . 1 1 45 45 LYS CA C 45 55.745 55.745 55.212 0.533 18749
2658 1 8 . 1 1 45 45 LYS CB C 45 33.789 33.789 35.111 -1.323 18749
2659 1 8 . 1 1 45 45 LYS H H 45 7.731 7.731 8.485 -0.753 18749
2660 1 8 . 1 1 47 47 CYS N N 47 125.060 125.060 125.064 -0.004 18749
2661 1 8 . 1 1 47 47 CYS H H 47 8.811 8.811 8.428 0.383 18749
2662 1 8 . 1 1 48 48 GLU C C 48 178.473 178.473 175.655 2.818 18749
2663 1 8 . 1 1 49 49 SER N N 49 120.359 120.359 119.938 0.421 18749
2664 1 8 . 1 1 49 49 SER C C 49 172.276 172.276 173.746 -1.470 18749
2665 1 8 . 1 1 49 49 SER CA C 49 61.125 61.125 58.633 2.492 18749
2666 1 8 . 1 1 49 49 SER CB C 49 63.224 63.224 64.141 -0.917 18749
2667 1 8 . 1 1 49 49 SER H H 49 8.737 8.737 8.433 0.304 18749
2668 1 8 . 1 1 50 50 TYR N N 50 110.556 110.556 120.684 -10.128 18749
2669 1 8 . 1 1 50 50 TYR C C 50 175.624 175.624 175.507 0.117 18749
2670 1 8 . 1 1 50 50 TYR CA C 50 59.205 59.205 58.660 0.545 18749
2671 1 8 . 1 1 50 50 TYR CB C 50 38.197 38.197 39.204 -1.007 18749
2672 1 8 . 1 1 50 50 TYR H H 50 6.326 6.326 8.643 -2.317 18749
2673 1 8 . 1 1 51 51 HIS N N 51 119.871 119.871 118.259 1.612 18749
2674 1 8 . 1 1 51 51 HIS HA H 51 3.757 3.757 4.779 -1.022 18749
2675 1 8 . 1 1 51 51 HIS C C 51 176.588 176.588 174.451 2.137 18749
2676 1 8 . 1 1 51 51 HIS CA C 51 59.323 59.323 56.760 2.563 18749
2677 1 8 . 1 1 51 51 HIS CB C 51 27.514 27.514 30.619 -3.105 18749
2678 1 8 . 1 1 51 51 HIS H H 51 5.890 5.890 8.451 -2.561 18749
2679 1 8 . 1 1 52 52 LYS N N 52 122.505 122.505 119.737 2.768 18749
2680 1 8 . 1 1 52 52 LYS C C 52 178.958 178.958 176.336 2.622 18749
2681 1 8 . 1 1 52 52 LYS CA C 52 58.922 58.922 56.196 2.726 18749
2682 1 8 . 1 1 52 52 LYS CB C 52 31.291 31.291 30.938 0.353 18749
2683 1 8 . 1 1 52 52 LYS H H 52 7.660 7.660 8.358 -0.698 18749
2684 1 8 . 1 1 53 53 CYS N N 53 117.268 117.268 121.043 -3.775 18749
2685 1 8 . 1 1 53 53 CYS C C 53 179.241 179.241 174.674 4.567 18749
2686 1 8 . 1 1 53 53 CYS CA C 53 64.802 64.802 58.889 5.913 18749
2687 1 8 . 1 1 53 53 CYS CB C 53 30.906 30.906 28.717 2.189 18749
2688 1 8 . 1 1 53 53 CYS H H 53 8.256 8.256 8.483 -0.227 18749
2689 1 8 . 1 1 54 54 SER N N 54 111.716 111.716 114.711 -2.995 18749
2690 1 8 . 1 1 54 54 SER HA H 54 3.839 3.839 4.632 -0.793 18749
2691 1 8 . 1 1 54 54 SER C C 54 175.922 175.922 173.152 2.770 18749
2692 1 8 . 1 1 54 54 SER CA C 54 60.263 60.263 59.156 1.107 18749
2693 1 8 . 1 1 54 54 SER CB C 54 64.120 64.120 63.564 0.556 18749
2694 1 8 . 1 1 54 54 SER H H 54 7.671 7.671 8.628 -0.957 18749
2695 1 8 . 1 1 55 55 ASP N N 55 119.056 119.056 121.245 -2.189 18749
2696 1 8 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.709 -0.414 18749
2697 1 8 . 1 1 55 55 ASP C C 55 178.101 178.101 175.754 2.347 18749
2698 1 8 . 1 1 55 55 ASP CA C 55 57.387 57.387 53.648 3.739 18749
2699 1 8 . 1 1 55 55 ASP CB C 55 40.315 40.315 41.498 -1.183 18749
2700 1 8 . 1 1 55 55 ASP H H 55 7.438 7.438 8.173 -0.735 18749
2701 1 8 . 1 1 56 56 LEU N N 56 118.324 118.324 115.879 2.445 18749
2702 1 8 . 1 1 56 56 LEU HA H 56 4.168 4.168 3.880 0.288 18749
2703 1 8 . 1 1 56 56 LEU C C 56 176.250 176.250 175.543 0.707 18749
2704 1 8 . 1 1 56 56 LEU CA C 56 55.333 55.333 55.037 0.296 18749
2705 1 8 . 1 1 56 56 LEU CB C 56 43.173 43.173 39.650 3.523 18749
2706 1 8 . 1 1 56 56 LEU H H 56 7.565 7.565 7.941 -0.376 18749
2707 1 8 . 1 1 57 57 CYS N N 57 124.095 124.095 119.984 4.111 18749
2708 1 8 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.551 -0.296 18749
2709 1 8 . 1 1 57 57 CYS C C 57 177.371 177.371 175.843 1.528 18749
2710 1 8 . 1 1 57 57 CYS CA C 57 59.255 59.255 58.034 1.221 18749
2711 1 8 . 1 1 57 57 CYS CB C 57 30.128 30.128 27.462 2.666 18749
2712 1 8 . 1 1 57 57 CYS H H 57 7.265 7.265 7.851 -0.586 18749
2713 1 8 . 1 1 58 58 GLN N N 58 131.839 131.839 128.983 2.856 18749
2714 1 8 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.102 -0.179 18749
2715 1 8 . 1 1 58 58 GLN C C 58 178.435 178.435 176.859 1.576 18749
2716 1 8 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.291 0.997 18749
2717 1 8 . 1 1 58 58 GLN CB C 58 28.195 28.195 28.446 -0.251 18749
2718 1 8 . 1 1 58 58 GLN H H 58 9.451 9.451 9.048 0.403 18749
2719 1 8 . 1 1 59 59 TYR N N 59 124.026 124.026 119.732 4.294 18749
2720 1 8 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.679 -0.250 18749
2721 1 8 . 1 1 59 59 TYR C C 59 178.722 178.722 176.897 1.825 18749
2722 1 8 . 1 1 59 59 TYR CA C 59 60.295 60.295 61.193 -0.898 18749
2723 1 8 . 1 1 59 59 TYR CB C 59 38.591 38.591 39.069 -0.478 18749
2724 1 8 . 1 1 59 59 TYR H H 59 8.699 8.699 8.131 0.568 18749
2725 1 8 . 1 1 60 60 CYS N N 60 122.268 122.268 117.554 4.714 18749
2726 1 8 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.696 -0.379 18749
2727 1 8 . 1 1 60 60 CYS C C 60 176.011 176.011 176.966 -0.955 18749
2728 1 8 . 1 1 60 60 CYS CA C 60 64.499 64.499 61.055 3.444 18749
2729 1 8 . 1 1 60 60 CYS CB C 60 30.203 30.203 25.890 4.313 18749
2730 1 8 . 1 1 60 60 CYS H H 60 8.432 8.432 7.919 0.513 18749
2731 1 8 . 1 1 61 61 ARG N N 61 116.449 116.449 119.111 -2.662 18749
2732 1 8 . 1 1 61 61 ARG HA H 61 3.895 3.895 4.000 -0.105 18749
2733 1 8 . 1 1 61 61 ARG C C 61 176.965 176.965 178.219 -1.254 18749
2734 1 8 . 1 1 61 61 ARG CA C 61 58.336 58.336 59.302 -0.966 18749
2735 1 8 . 1 1 61 61 ARG CB C 61 29.771 29.771 29.904 -0.133 18749
2736 1 8 . 1 1 61 61 ARG H H 61 7.265 7.265 7.755 -0.490 18749
2737 1 8 . 1 1 62 62 TYR N N 62 117.341 117.341 116.247 1.094 18749
2738 1 8 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.475 -0.006 18749
2739 1 8 . 1 1 62 62 TYR C C 62 175.562 175.562 177.202 -1.640 18749
2740 1 8 . 1 1 62 62 TYR CA C 62 58.566 58.566 60.404 -1.838 18749
2741 1 8 . 1 1 62 62 TYR CB C 62 39.182 39.182 39.523 -0.341 18749
2742 1 8 . 1 1 62 62 TYR H H 62 7.259 7.259 7.546 -0.287 18749
2743 1 8 . 1 1 63 63 GLN N N 63 121.663 121.663 117.471 4.192 18749
2744 1 8 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.540 -0.330 18749
2745 1 8 . 1 1 63 63 GLN C C 63 173.076 173.076 174.981 -1.905 18749
2746 1 8 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.793 -0.301 18749
2747 1 8 . 1 1 63 63 GLN CB C 63 29.401 29.401 31.806 -2.405 18749
2748 1 8 . 1 1 63 63 GLN H H 63 7.856 7.856 7.870 -0.014 18749
2749 1 8 . 1 1 64 64 LYS N N 64 127.668 127.668 125.652 2.016 18749
2750 1 8 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.114 0.187 18749
2751 1 8 . 1 1 64 64 LYS C C 64 177.301 177.301 176.063 1.238 18749
2752 1 8 . 1 1 64 64 LYS CA C 64 58.182 58.182 57.360 0.822 18749
2753 1 8 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.441 0.073 18749
2754 1 8 . 1 1 64 64 LYS H H 64 8.204 8.204 8.625 -0.421 18749
2755 1 8 . 1 1 65 65 ASP N N 65 131.040 131.040 124.034 7.006 18749
2756 1 8 . 1 1 65 65 ASP C C 65 174.529 174.529 176.840 -2.311 18749
2757 1 8 . 1 1 65 65 ASP CA C 65 53.232 53.232 53.896 -0.664 18749
2758 1 8 . 1 1 65 65 ASP CB C 65 41.222 41.222 40.778 0.444 18749
2759 1 8 . 1 1 65 65 ASP H H 65 8.677 8.677 8.411 0.266 18749
2760 1 8 . 1 1 66 66 LEU N N 66 125.688 125.688 120.411 5.277 18749
2761 1 8 . 1 1 66 66 LEU HA H 66 4.088 4.088 4.145 -0.057 18749
2762 1 8 . 1 1 66 66 LEU C C 66 178.676 178.676 176.961 1.715 18749
2763 1 8 . 1 1 66 66 LEU CA C 66 57.836 57.836 55.646 2.190 18749
2764 1 8 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.768 1.428 18749
2765 1 8 . 1 1 66 66 LEU H H 66 8.733 8.733 7.913 0.820 18749
2766 1 8 . 1 1 67 67 ALA N N 67 119.916 119.916 120.853 -0.937 18749
2767 1 8 . 1 1 67 67 ALA C C 67 180.513 180.513 178.830 1.683 18749
2768 1 8 . 1 1 67 67 ALA CA C 67 55.151 55.151 54.144 1.007 18749
2769 1 8 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.766 -0.648 18749
2770 1 8 . 1 1 67 67 ALA H H 67 8.076 8.076 7.658 0.418 18749
2771 1 8 . 1 1 68 68 ILE N N 68 119.735 119.735 114.946 4.789 18749
2772 1 8 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.854 -0.195 18749
2773 1 8 . 1 1 68 68 ILE C C 68 177.647 177.647 176.662 0.985 18749
2774 1 8 . 1 1 68 68 ILE CA C 68 63.267 63.267 63.157 0.110 18749
2775 1 8 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.784 -0.446 18749
2776 1 8 . 1 1 68 68 ILE H H 68 7.342 7.342 7.416 -0.074 18749
2777 1 8 . 1 1 69 69 HIS N N 69 119.542 119.542 121.081 -1.539 18749
2778 1 8 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.354 -0.051 18749
2779 1 8 . 1 1 69 69 HIS CA C 69 59.224 59.224 57.407 1.817 18749
2780 1 8 . 1 1 69 69 HIS CB C 69 28.569 28.569 30.386 -1.817 18749
2781 1 8 . 1 1 69 69 HIS H H 69 6.608 6.608 8.131 -1.523 18749
2782 1 8 . 1 1 84 84 GLY C C 84 174.391 174.391 174.611 -0.220 18749
2783 1 8 . 1 1 84 84 GLY CA C 84 45.472 45.472 45.232 0.240 18749
2784 1 8 . 1 1 85 85 THR N N 85 112.734 112.734 114.711 -1.977 18749
2785 1 8 . 1 1 85 85 THR C C 85 175.056 175.056 175.795 -0.739 18749
2786 1 8 . 1 1 85 85 THR CA C 85 61.980 61.980 62.410 -0.430 18749
2787 1 8 . 1 1 85 85 THR CB C 85 69.868 69.868 69.294 0.574 18749
2788 1 8 . 1 1 85 85 THR H H 85 8.012 8.012 7.723 0.289 18749
2789 1 8 . 1 1 86 86 GLY N N 86 111.173 111.173 112.498 -1.325 18749
2790 1 8 . 1 1 86 86 GLY C C 86 172.909 172.909 173.053 -0.144 18749
2791 1 8 . 1 1 86 86 GLY CA C 86 45.268 45.268 45.754 -0.486 18749
2792 1 8 . 1 1 86 86 GLY H H 86 8.276 8.276 8.682 -0.406 18749
2793 1 9 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.451 -0.060 18749
2794 1 9 . 1 1 4 4 PRO C C 4 176.097 176.097 175.942 0.155 18749
2795 1 9 . 1 1 4 4 PRO CA C 4 62.965 62.965 63.160 -0.195 18749
2796 1 9 . 1 1 4 4 PRO CB C 4 31.902 31.902 32.611 -0.709 18749
2797 1 9 . 1 1 5 5 VAL N N 5 121.993 121.993 121.531 0.462 18749
2798 1 9 . 1 1 5 5 VAL HA H 5 4.341 4.341 4.380 -0.039 18749
2799 1 9 . 1 1 5 5 VAL CA C 5 59.763 59.763 60.548 -0.785 18749
2800 1 9 . 1 1 5 5 VAL CB C 5 32.567 32.567 32.364 0.203 18749
2801 1 9 . 1 1 5 5 VAL H H 5 8.149 8.149 8.149 0.000 18749
2802 1 9 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.194 0.062 18749
2803 1 9 . 1 1 6 6 PRO C C 6 176.167 176.167 176.903 -0.736 18749
2804 1 9 . 1 1 6 6 PRO CA C 6 63.138 63.138 63.896 -0.758 18749
2805 1 9 . 1 1 6 6 PRO CB C 6 31.877 31.877 31.868 0.009 18749
2806 1 9 . 1 1 7 7 TYR N N 7 121.107 121.107 120.106 1.001 18749
2807 1 9 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.370 0.073 18749
2808 1 9 . 1 1 7 7 TYR CA C 7 55.602 55.602 56.527 -0.925 18749
2809 1 9 . 1 1 7 7 TYR CB C 7 38.212 38.212 37.831 0.381 18749
2810 1 9 . 1 1 7 7 TYR H H 7 7.945 7.945 7.919 0.026 18749
2811 1 9 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.476 -0.188 18749
2812 1 9 . 1 1 8 8 PRO C C 8 176.122 176.122 175.705 0.417 18749
2813 1 9 . 1 1 8 8 PRO CA C 8 62.983 62.983 62.783 0.200 18749
2814 1 9 . 1 1 8 8 PRO CB C 8 31.913 31.913 32.650 -0.737 18749
2815 1 9 . 1 1 9 9 ASP N N 9 122.332 122.332 118.279 4.053 18749
2816 1 9 . 1 1 9 9 ASP HA H 9 4.466 4.466 4.811 -0.345 18749
2817 1 9 . 1 1 9 9 ASP CA C 9 52.317 52.317 52.695 -0.378 18749
2818 1 9 . 1 1 9 9 ASP CB C 9 41.371 41.371 41.494 -0.123 18749
2819 1 9 . 1 1 9 9 ASP H H 9 8.204 8.204 8.365 -0.161 18749
2820 1 9 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.310 -0.001 18749
2821 1 9 . 1 1 10 10 PRO C C 10 177.003 177.003 177.618 -0.615 18749
2822 1 9 . 1 1 10 10 PRO CA C 10 63.635 63.635 64.267 -0.632 18749
2823 1 9 . 1 1 10 10 PRO CB C 10 32.207 32.207 31.977 0.231 18749
2824 1 9 . 1 1 11 11 LEU N N 11 120.566 120.566 118.301 2.265 18749
2825 1 9 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.173 0.048 18749
2826 1 9 . 1 1 11 11 LEU C C 11 177.277 177.277 177.417 -0.140 18749
2827 1 9 . 1 1 11 11 LEU CA C 11 54.938 54.938 56.550 -1.613 18749
2828 1 9 . 1 1 11 11 LEU CB C 11 41.908 41.908 42.006 -0.098 18749
2829 1 9 . 1 1 11 11 LEU H H 11 8.295 8.295 8.018 0.277 18749
2830 1 9 . 1 1 12 12 GLU N N 12 122.415 122.415 116.557 5.858 18749
2831 1 9 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.623 -0.239 18749
2832 1 9 . 1 1 12 12 GLU CA C 12 54.384 54.384 53.561 0.823 18749
2833 1 9 . 1 1 12 12 GLU CB C 12 29.988 29.988 30.517 -0.529 18749
2834 1 9 . 1 1 12 12 GLU H H 12 7.857 7.857 7.718 0.139 18749
2835 1 9 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.474 -0.225 18749
2836 1 9 . 1 1 13 13 PRO C C 13 177.132 177.132 177.452 -0.320 18749
2837 1 9 . 1 1 13 13 PRO CA C 13 63.458 63.458 62.930 0.528 18749
2838 1 9 . 1 1 13 13 PRO CB C 13 31.862 31.862 32.147 -0.284 18749
2839 1 9 . 1 1 14 14 ARG N N 14 121.214 121.214 123.034 -1.820 18749
2840 1 9 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.354 -0.195 18749
2841 1 9 . 1 1 14 14 ARG CA C 14 56.162 56.162 56.491 -0.329 18749
2842 1 9 . 1 1 14 14 ARG CB C 14 30.632 30.632 30.461 0.171 18749
2843 1 9 . 1 1 14 14 ARG H H 14 8.337 8.337 8.471 -0.134 18749
2844 1 9 . 1 1 15 15 GLY N N 15 109.686 109.686 108.933 0.753 18749
2845 1 9 . 1 1 15 15 GLY C C 15 174.130 174.130 174.855 -0.725 18749
2846 1 9 . 1 1 15 15 GLY CA C 15 45.312 45.312 44.322 0.991 18749
2847 1 9 . 1 1 15 15 GLY H H 15 8.280 8.280 8.393 -0.113 18749
2848 1 9 . 1 1 16 16 GLY N N 16 108.011 108.011 107.492 0.519 18749
2849 1 9 . 1 1 16 16 GLY C C 16 172.056 172.056 174.927 -2.871 18749
2850 1 9 . 1 1 16 16 GLY CA C 16 44.895 44.895 45.775 -0.880 18749
2851 1 9 . 1 1 16 16 GLY H H 16 7.764 7.764 8.654 -0.890 18749
2852 1 9 . 1 1 17 17 LYS N N 17 117.049 117.049 118.854 -1.805 18749
2853 1 9 . 1 1 17 17 LYS HA H 17 4.135 4.135 3.985 0.150 18749
2854 1 9 . 1 1 17 17 LYS C C 17 175.259 175.259 177.015 -1.756 18749
2855 1 9 . 1 1 17 17 LYS CA C 17 53.914 53.914 58.888 -4.974 18749
2856 1 9 . 1 1 17 17 LYS CB C 17 35.219 35.219 32.428 2.791 18749
2857 1 9 . 1 1 17 17 LYS H H 17 7.347 7.347 8.217 -0.870 18749
2858 1 9 . 1 1 18 18 HIS N N 18 120.426 120.426 115.358 5.068 18749
2859 1 9 . 1 1 18 18 HIS C C 18 175.419 175.419 174.733 0.686 18749
2860 1 9 . 1 1 18 18 HIS CA C 18 57.086 57.086 57.830 -0.744 18749
2861 1 9 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.262 0.230 18749
2862 1 9 . 1 1 19 19 ILE N N 19 126.193 126.193 116.666 9.527 18749
2863 1 9 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.474 -0.020 18749
2864 1 9 . 1 1 19 19 ILE C C 19 175.138 175.138 175.530 -0.392 18749
2865 1 9 . 1 1 19 19 ILE CA C 19 59.189 59.189 58.605 0.584 18749
2866 1 9 . 1 1 19 19 ILE CB C 19 41.816 41.816 37.304 4.512 18749
2867 1 9 . 1 1 19 19 ILE H H 19 8.180 8.180 7.112 1.068 18749
2868 1 9 . 1 1 20 20 CYS N N 20 127.805 127.805 126.799 1.006 18749
2869 1 9 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.490 0.425 18749
2870 1 9 . 1 1 20 20 CYS C C 20 174.996 174.996 175.936 -0.940 18749
2871 1 9 . 1 1 20 20 CYS CA C 20 57.370 57.370 58.573 -1.203 18749
2872 1 9 . 1 1 20 20 CYS CB C 20 32.008 32.008 29.587 2.421 18749
2873 1 9 . 1 1 20 20 CYS H H 20 8.382 8.382 8.694 -0.312 18749
2874 1 9 . 1 1 21 21 ALA N N 21 135.406 135.406 129.319 6.087 18749
2875 1 9 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.265 -0.103 18749
2876 1 9 . 1 1 21 21 ALA C C 21 177.885 177.885 177.603 0.282 18749
2877 1 9 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.331 0.161 18749
2878 1 9 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.931 0.694 18749
2879 1 9 . 1 1 21 21 ALA H H 21 8.742 8.742 8.812 -0.070 18749
2880 1 9 . 1 1 22 22 ILE N N 22 119.063 119.063 116.563 2.500 18749
2881 1 9 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.151 -0.290 18749
2882 1 9 . 1 1 22 22 ILE C C 22 176.914 176.914 177.095 -0.181 18749
2883 1 9 . 1 1 22 22 ILE CA C 22 63.218 63.218 62.305 0.913 18749
2884 1 9 . 1 1 22 22 ILE CB C 22 37.371 37.371 39.312 -1.941 18749
2885 1 9 . 1 1 22 22 ILE H H 22 8.150 8.150 7.458 0.692 18749
2886 1 9 . 1 1 23 23 CYS N N 23 114.362 114.362 118.472 -4.110 18749
2887 1 9 . 1 1 23 23 CYS C C 23 176.216 176.216 176.063 0.153 18749
2888 1 9 . 1 1 23 23 CYS CA C 23 57.878 57.878 59.513 -1.635 18749
2889 1 9 . 1 1 23 23 CYS CB C 23 30.456 30.456 26.493 3.963 18749
2890 1 9 . 1 1 23 23 CYS H H 23 7.238 7.238 8.385 -1.147 18749
2891 1 9 . 1 1 24 24 GLY N N 24 111.898 111.898 108.335 3.563 18749
2892 1 9 . 1 1 24 24 GLY C C 24 173.367 173.367 174.410 -1.043 18749
2893 1 9 . 1 1 24 24 GLY CA C 24 46.222 46.222 46.545 -0.323 18749
2894 1 9 . 1 1 24 24 GLY H H 24 7.566 7.566 8.384 -0.818 18749
2895 1 9 . 1 1 25 25 ASN N N 25 117.684 117.684 115.618 2.066 18749
2896 1 9 . 1 1 25 25 ASN HA H 25 4.763 4.763 5.069 -0.306 18749
2897 1 9 . 1 1 25 25 ASN C C 25 174.631 174.631 174.295 0.336 18749
2898 1 9 . 1 1 25 25 ASN CA C 25 51.901 51.901 53.227 -1.326 18749
2899 1 9 . 1 1 25 25 ASN CB C 25 40.666 40.666 39.965 0.701 18749
2900 1 9 . 1 1 25 25 ASN H H 25 7.781 7.781 8.546 -0.765 18749
2901 1 9 . 1 1 26 26 ASN N N 26 118.294 118.294 117.408 0.886 18749
2902 1 9 . 1 1 26 26 ASN HA H 26 4.570 4.570 4.955 -0.385 18749
2903 1 9 . 1 1 26 26 ASN C C 26 175.502 175.502 175.457 0.045 18749
2904 1 9 . 1 1 26 26 ASN CA C 26 53.980 53.980 53.544 0.436 18749
2905 1 9 . 1 1 26 26 ASN CB C 26 38.066 38.066 38.649 -0.583 18749
2906 1 9 . 1 1 26 26 ASN H H 26 8.562 8.562 8.325 0.237 18749
2907 1 9 . 1 1 27 27 ALA N N 27 126.538 126.538 122.443 4.095 18749
2908 1 9 . 1 1 27 27 ALA C C 27 177.920 177.920 175.907 2.013 18749
2909 1 9 . 1 1 27 27 ALA CA C 27 53.567 53.567 52.482 1.085 18749
2910 1 9 . 1 1 27 27 ALA CB C 27 18.852 18.852 16.704 2.148 18749
2911 1 9 . 1 1 27 27 ALA H H 27 8.217 8.217 8.354 -0.137 18749
2912 1 9 . 1 1 28 28 GLU N N 28 112.911 112.911 117.803 -4.892 18749
2913 1 9 . 1 1 28 28 GLU HA H 28 4.099 4.099 4.225 -0.126 18749
2914 1 9 . 1 1 28 28 GLU C C 28 177.423 177.423 176.130 1.293 18749
2915 1 9 . 1 1 28 28 GLU CA C 28 57.783 57.783 56.235 1.548 18749
2916 1 9 . 1 1 28 28 GLU CB C 28 30.926 30.926 30.312 0.614 18749
2917 1 9 . 1 1 28 28 GLU H H 28 8.608 8.608 8.467 0.141 18749
2918 1 9 . 1 1 29 29 ASP N N 29 116.209 116.209 122.471 -6.262 18749
2919 1 9 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.229 0.205 18749
2920 1 9 . 1 1 29 29 ASP C C 29 174.486 174.486 176.471 -1.985 18749
2921 1 9 . 1 1 29 29 ASP CA C 29 55.349 55.349 53.220 2.129 18749
2922 1 9 . 1 1 29 29 ASP CB C 29 42.596 42.596 40.561 2.035 18749
2923 1 9 . 1 1 29 29 ASP H H 29 7.272 7.272 7.645 -0.373 18749
2924 1 9 . 1 1 30 30 TYR N N 30 116.344 116.344 118.885 -2.541 18749
2925 1 9 . 1 1 30 30 TYR CA C 30 57.018 57.018 58.517 -1.499 18749
2926 1 9 . 1 1 30 30 TYR CB C 30 43.459 43.459 38.052 5.407 18749
2927 1 9 . 1 1 30 30 TYR H H 30 7.281 7.281 8.145 -0.864 18749
2928 1 9 . 1 1 31 31 LYS C C 31 177.018 177.018 175.815 1.203 18749
2929 1 9 . 1 1 32 32 HIS N N 32 116.170 116.170 115.359 0.811 18749
2930 1 9 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.555 -0.753 18749
2931 1 9 . 1 1 32 32 HIS C C 32 173.979 173.979 177.192 -3.213 18749
2932 1 9 . 1 1 32 32 HIS CA C 32 55.136 55.136 58.704 -3.568 18749
2933 1 9 . 1 1 32 32 HIS CB C 32 33.128 33.128 30.165 2.963 18749
2934 1 9 . 1 1 32 32 HIS H H 32 7.691 7.691 8.590 -0.899 18749
2935 1 9 . 1 1 33 33 THR N N 33 108.605 108.605 110.790 -2.185 18749
2936 1 9 . 1 1 33 33 THR HA H 33 4.424 4.424 4.244 0.180 18749
2937 1 9 . 1 1 33 33 THR C C 33 175.107 175.107 175.442 -0.335 18749
2938 1 9 . 1 1 33 33 THR CA C 33 60.218 60.218 63.504 -3.286 18749
2939 1 9 . 1 1 33 33 THR CB C 33 69.476 69.476 68.962 0.514 18749
2940 1 9 . 1 1 33 33 THR H H 33 8.051 8.051 7.877 0.174 18749
2941 1 9 . 1 1 34 34 ASP N N 34 121.404 121.404 120.404 1.000 18749
2942 1 9 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.488 0.102 18749
2943 1 9 . 1 1 34 34 ASP C C 34 175.334 175.334 176.267 -0.933 18749
2944 1 9 . 1 1 34 34 ASP CA C 34 53.564 53.564 56.185 -2.621 18749
2945 1 9 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.791 -0.371 18749
2946 1 9 . 1 1 34 34 ASP H H 34 7.973 7.973 8.381 -0.408 18749
2947 1 9 . 1 1 35 35 MET N N 35 119.898 119.898 118.423 1.475 18749
2948 1 9 . 1 1 35 35 MET HA H 35 4.398 4.398 4.414 -0.016 18749
2949 1 9 . 1 1 35 35 MET C C 35 174.846 174.846 175.761 -0.915 18749
2950 1 9 . 1 1 35 35 MET CA C 35 55.631 55.631 55.623 0.008 18749
2951 1 9 . 1 1 35 35 MET CB C 35 33.382 33.382 33.501 -0.119 18749
2952 1 9 . 1 1 35 35 MET H H 35 7.585 7.585 7.344 0.241 18749
2953 1 9 . 1 1 36 36 ASP N N 36 123.631 123.631 122.518 1.113 18749
2954 1 9 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.586 -0.100 18749
2955 1 9 . 1 1 36 36 ASP C C 36 176.456 176.456 176.177 0.279 18749
2956 1 9 . 1 1 36 36 ASP CA C 36 54.279 54.279 54.148 0.131 18749
2957 1 9 . 1 1 36 36 ASP CB C 36 41.156 41.156 40.669 0.487 18749
2958 1 9 . 1 1 36 36 ASP H H 36 8.360 8.360 8.300 0.060 18749
2959 1 9 . 1 1 37 37 LEU N N 37 123.812 123.812 126.560 -2.748 18749
2960 1 9 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.450 -0.147 18749
2961 1 9 . 1 1 37 37 LEU C C 37 177.554 177.554 178.125 -0.571 18749
2962 1 9 . 1 1 37 37 LEU CA C 37 55.317 55.317 54.665 0.652 18749
2963 1 9 . 1 1 37 37 LEU CB C 37 41.945 41.945 42.571 -0.626 18749
2964 1 9 . 1 1 37 37 LEU H H 37 8.224 8.224 8.343 -0.119 18749
2965 1 9 . 1 1 38 38 THR N N 38 113.723 113.723 114.874 -1.151 18749
2966 1 9 . 1 1 38 38 THR HA H 38 4.153 4.153 4.189 -0.036 18749
2967 1 9 . 1 1 38 38 THR C C 38 174.786 174.786 174.672 0.114 18749
2968 1 9 . 1 1 38 38 THR CA C 38 62.673 62.673 64.475 -1.802 18749
2969 1 9 . 1 1 38 38 THR CB C 38 69.792 69.792 69.391 0.401 18749
2970 1 9 . 1 1 38 38 THR H H 38 8.321 8.321 8.399 -0.078 18749
2971 1 9 . 1 1 39 39 TYR N N 39 121.098 121.098 118.680 2.418 18749
2972 1 9 . 1 1 39 39 TYR C C 39 175.992 175.992 173.662 2.330 18749
2973 1 9 . 1 1 39 39 TYR CA C 39 58.083 58.083 56.766 1.317 18749
2974 1 9 . 1 1 39 39 TYR CB C 39 38.309 38.309 39.920 -1.611 18749
2975 1 9 . 1 1 39 39 TYR H H 39 7.920 7.920 7.859 0.061 18749
2976 1 9 . 1 1 40 40 THR N N 40 113.380 113.380 113.739 -0.359 18749
2977 1 9 . 1 1 40 40 THR C C 40 174.356 174.356 172.840 1.516 18749
2978 1 9 . 1 1 40 40 THR CA C 40 61.801 61.801 60.442 1.359 18749
2979 1 9 . 1 1 40 40 THR CB C 40 69.965 69.965 71.441 -1.476 18749
2980 1 9 . 1 1 40 40 THR H H 40 7.885 7.885 8.197 -0.312 18749
2981 1 9 . 1 1 41 41 ASP N N 41 121.537 121.537 123.196 -1.659 18749
2982 1 9 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.736 -0.268 18749
2983 1 9 . 1 1 41 41 ASP C C 41 176.338 176.338 176.474 -0.136 18749
2984 1 9 . 1 1 41 41 ASP CA C 41 54.674 54.674 54.089 0.585 18749
2985 1 9 . 1 1 41 41 ASP CB C 41 40.996 40.996 41.346 -0.350 18749
2986 1 9 . 1 1 41 41 ASP H H 41 8.184 8.184 8.455 -0.271 18749
2987 1 9 . 1 1 42 42 ARG N N 42 119.745 119.745 122.886 -3.141 18749
2988 1 9 . 1 1 42 42 ARG HA H 42 4.171 4.171 3.895 0.276 18749
2989 1 9 . 1 1 42 42 ARG C C 42 175.906 175.906 175.347 0.559 18749
2990 1 9 . 1 1 42 42 ARG CA C 42 56.644 56.644 57.757 -1.113 18749
2991 1 9 . 1 1 42 42 ARG CB C 42 30.788 30.788 30.652 0.136 18749
2992 1 9 . 1 1 42 42 ARG H H 42 7.997 7.997 8.472 -0.475 18749
2993 1 9 . 1 1 43 43 ASP N N 43 119.314 119.314 119.373 -0.059 18749
2994 1 9 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.536 -0.033 18749
2995 1 9 . 1 1 43 43 ASP C C 43 175.599 175.599 175.323 0.276 18749
2996 1 9 . 1 1 43 43 ASP CA C 43 54.368 54.368 54.150 0.218 18749
2997 1 9 . 1 1 43 43 ASP CB C 43 41.071 41.071 40.351 0.720 18749
2998 1 9 . 1 1 43 43 ASP H H 43 8.181 8.181 8.009 0.172 18749
2999 1 9 . 1 1 44 44 TYR N N 44 120.178 120.178 123.936 -3.758 18749
3000 1 9 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.446 -0.122 18749
3001 1 9 . 1 1 44 44 TYR C C 44 175.321 175.321 176.767 -1.446 18749
3002 1 9 . 1 1 44 44 TYR CA C 44 58.553 58.553 58.532 0.021 18749
3003 1 9 . 1 1 44 44 TYR CB C 44 38.614 38.614 39.049 -0.435 18749
3004 1 9 . 1 1 44 44 TYR H H 44 7.806 7.806 8.290 -0.484 18749
3005 1 9 . 1 1 45 45 LYS N N 45 123.353 123.353 123.799 -0.446 18749
3006 1 9 . 1 1 45 45 LYS CA C 45 55.745 55.745 56.078 -0.333 18749
3007 1 9 . 1 1 45 45 LYS CB C 45 33.789 33.789 33.208 0.581 18749
3008 1 9 . 1 1 45 45 LYS H H 45 7.731 7.731 8.544 -0.813 18749
3009 1 9 . 1 1 47 47 CYS N N 47 125.060 125.060 122.296 2.764 18749
3010 1 9 . 1 1 47 47 CYS H H 47 8.811 8.811 8.053 0.758 18749
3011 1 9 . 1 1 48 48 GLU C C 48 178.473 178.473 175.599 2.874 18749
3012 1 9 . 1 1 49 49 SER N N 49 120.359 120.359 114.868 5.491 18749
3013 1 9 . 1 1 49 49 SER C C 49 172.276 172.276 172.757 -0.481 18749
3014 1 9 . 1 1 49 49 SER CA C 49 61.125 61.125 57.919 3.206 18749
3015 1 9 . 1 1 49 49 SER CB C 49 63.224 63.224 63.178 0.046 18749
3016 1 9 . 1 1 49 49 SER H H 49 8.737 8.737 8.252 0.485 18749
3017 1 9 . 1 1 50 50 TYR N N 50 110.556 110.556 121.598 -11.042 18749
3018 1 9 . 1 1 50 50 TYR C C 50 175.624 175.624 175.878 -0.254 18749
3019 1 9 . 1 1 50 50 TYR CA C 50 59.205 59.205 58.678 0.527 18749
3020 1 9 . 1 1 50 50 TYR CB C 50 38.197 38.197 38.660 -0.463 18749
3021 1 9 . 1 1 50 50 TYR H H 50 6.326 6.326 8.379 -2.053 18749
3022 1 9 . 1 1 51 51 HIS N N 51 119.871 119.871 116.255 3.616 18749
3023 1 9 . 1 1 51 51 HIS HA H 51 3.757 3.757 4.294 -0.537 18749
3024 1 9 . 1 1 51 51 HIS C C 51 176.588 176.588 174.736 1.852 18749
3025 1 9 . 1 1 51 51 HIS CA C 51 59.323 59.323 56.943 2.380 18749
3026 1 9 . 1 1 51 51 HIS CB C 51 27.514 27.514 27.483 0.031 18749
3027 1 9 . 1 1 51 51 HIS H H 51 5.890 5.890 7.768 -1.878 18749
3028 1 9 . 1 1 52 52 LYS N N 52 122.505 122.505 117.628 4.877 18749
3029 1 9 . 1 1 52 52 LYS C C 52 178.958 178.958 176.984 1.974 18749
3030 1 9 . 1 1 52 52 LYS CA C 52 58.922 58.922 58.708 0.214 18749
3031 1 9 . 1 1 52 52 LYS CB C 52 31.291 31.291 33.001 -1.710 18749
3032 1 9 . 1 1 52 52 LYS H H 52 7.660 7.660 8.088 -0.428 18749
3033 1 9 . 1 1 53 53 CYS N N 53 117.268 117.268 113.943 3.325 18749
3034 1 9 . 1 1 53 53 CYS C C 53 179.241 179.241 173.474 5.767 18749
3035 1 9 . 1 1 53 53 CYS CA C 53 64.802 64.802 58.238 6.564 18749
3036 1 9 . 1 1 53 53 CYS CB C 53 30.906 30.906 31.300 -0.394 18749
3037 1 9 . 1 1 53 53 CYS H H 53 8.256 8.256 7.717 0.539 18749
3038 1 9 . 1 1 54 54 SER N N 54 111.716 111.716 119.692 -7.976 18749
3039 1 9 . 1 1 54 54 SER HA H 54 3.839 3.839 4.132 -0.293 18749
3040 1 9 . 1 1 54 54 SER C C 54 175.922 175.922 174.846 1.076 18749
3041 1 9 . 1 1 54 54 SER CA C 54 60.263 60.263 59.467 0.796 18749
3042 1 9 . 1 1 54 54 SER CB C 54 64.120 64.120 62.100 2.020 18749
3043 1 9 . 1 1 54 54 SER H H 54 7.671 7.671 8.649 -0.978 18749
3044 1 9 . 1 1 55 55 ASP N N 55 119.056 119.056 122.462 -3.406 18749
3045 1 9 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.404 -0.109 18749
3046 1 9 . 1 1 55 55 ASP C C 55 178.101 178.101 178.132 -0.031 18749
3047 1 9 . 1 1 55 55 ASP CA C 55 57.387 57.387 56.706 0.681 18749
3048 1 9 . 1 1 55 55 ASP CB C 55 40.315 40.315 40.704 -0.389 18749
3049 1 9 . 1 1 55 55 ASP H H 55 7.438 7.438 8.738 -1.300 18749
3050 1 9 . 1 1 56 56 LEU N N 56 118.324 118.324 118.673 -0.349 18749
3051 1 9 . 1 1 56 56 LEU HA H 56 4.168 4.168 4.130 0.038 18749
3052 1 9 . 1 1 56 56 LEU C C 56 176.250 176.250 177.323 -1.073 18749
3053 1 9 . 1 1 56 56 LEU CA C 56 55.333 55.333 55.964 -0.631 18749
3054 1 9 . 1 1 56 56 LEU CB C 56 43.173 43.173 41.848 1.325 18749
3055 1 9 . 1 1 56 56 LEU H H 56 7.565 7.565 7.712 -0.147 18749
3056 1 9 . 1 1 57 57 CYS N N 57 124.095 124.095 119.366 4.729 18749
3057 1 9 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.627 -0.372 18749
3058 1 9 . 1 1 57 57 CYS C C 57 177.371 177.371 175.473 1.898 18749
3059 1 9 . 1 1 57 57 CYS CA C 57 59.255 59.255 58.213 1.042 18749
3060 1 9 . 1 1 57 57 CYS CB C 57 30.128 30.128 26.787 3.341 18749
3061 1 9 . 1 1 57 57 CYS H H 57 7.265 7.265 7.916 -0.651 18749
3062 1 9 . 1 1 58 58 GLN N N 58 131.839 131.839 128.789 3.050 18749
3063 1 9 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.076 -0.153 18749
3064 1 9 . 1 1 58 58 GLN C C 58 178.435 178.435 176.972 1.463 18749
3065 1 9 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.276 1.012 18749
3066 1 9 . 1 1 58 58 GLN CB C 58 28.195 28.195 28.498 -0.304 18749
3067 1 9 . 1 1 58 58 GLN H H 58 9.451 9.451 8.872 0.579 18749
3068 1 9 . 1 1 59 59 TYR N N 59 124.026 124.026 119.327 4.699 18749
3069 1 9 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.555 -0.126 18749
3070 1 9 . 1 1 59 59 TYR C C 59 178.722 178.722 177.289 1.433 18749
3071 1 9 . 1 1 59 59 TYR CA C 59 60.295 60.295 61.468 -1.173 18749
3072 1 9 . 1 1 59 59 TYR CB C 59 38.591 38.591 38.762 -0.171 18749
3073 1 9 . 1 1 59 59 TYR H H 59 8.699 8.699 8.126 0.573 18749
3074 1 9 . 1 1 60 60 CYS N N 60 122.268 122.268 117.762 4.506 18749
3075 1 9 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.599 -0.282 18749
3076 1 9 . 1 1 60 60 CYS C C 60 176.011 176.011 176.999 -0.988 18749
3077 1 9 . 1 1 60 60 CYS CA C 60 64.499 64.499 61.579 2.920 18749
3078 1 9 . 1 1 60 60 CYS CB C 60 30.203 30.203 26.067 4.136 18749
3079 1 9 . 1 1 60 60 CYS H H 60 8.432 8.432 7.929 0.503 18749
3080 1 9 . 1 1 61 61 ARG N N 61 116.449 116.449 118.225 -1.776 18749
3081 1 9 . 1 1 61 61 ARG HA H 61 3.895 3.895 3.929 -0.034 18749
3082 1 9 . 1 1 61 61 ARG C C 61 176.965 176.965 177.966 -1.001 18749
3083 1 9 . 1 1 61 61 ARG CA C 61 58.336 58.336 59.201 -0.865 18749
3084 1 9 . 1 1 61 61 ARG CB C 61 29.771 29.771 29.939 -0.168 18749
3085 1 9 . 1 1 61 61 ARG H H 61 7.265 7.265 7.711 -0.446 18749
3086 1 9 . 1 1 62 62 TYR N N 62 117.341 117.341 116.346 0.995 18749
3087 1 9 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.387 0.082 18749
3088 1 9 . 1 1 62 62 TYR C C 62 175.562 175.562 177.206 -1.644 18749
3089 1 9 . 1 1 62 62 TYR CA C 62 58.566 58.566 59.729 -1.163 18749
3090 1 9 . 1 1 62 62 TYR CB C 62 39.182 39.182 39.581 -0.399 18749
3091 1 9 . 1 1 62 62 TYR H H 62 7.259 7.259 7.453 -0.194 18749
3092 1 9 . 1 1 63 63 GLN N N 63 121.663 121.663 118.017 3.646 18749
3093 1 9 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.581 -0.371 18749
3094 1 9 . 1 1 63 63 GLN C C 63 173.076 173.076 174.855 -1.779 18749
3095 1 9 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.727 -0.235 18749
3096 1 9 . 1 1 63 63 GLN CB C 63 29.401 29.401 31.348 -1.947 18749
3097 1 9 . 1 1 63 63 GLN H H 63 7.856 7.856 8.353 -0.497 18749
3098 1 9 . 1 1 64 64 LYS N N 64 127.668 127.668 125.637 2.031 18749
3099 1 9 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.163 0.138 18749
3100 1 9 . 1 1 64 64 LYS C C 64 177.301 177.301 175.845 1.456 18749
3101 1 9 . 1 1 64 64 LYS CA C 64 58.182 58.182 57.273 0.909 18749
3102 1 9 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.255 0.259 18749
3103 1 9 . 1 1 64 64 LYS H H 64 8.204 8.204 8.701 -0.497 18749
3104 1 9 . 1 1 65 65 ASP N N 65 131.040 131.040 124.727 6.313 18749
3105 1 9 . 1 1 65 65 ASP C C 65 174.529 174.529 177.112 -2.583 18749
3106 1 9 . 1 1 65 65 ASP CA C 65 53.232 53.232 53.934 -0.702 18749
3107 1 9 . 1 1 65 65 ASP CB C 65 41.222 41.222 41.703 -0.481 18749
3108 1 9 . 1 1 65 65 ASP H H 65 8.677 8.677 8.632 0.045 18749
3109 1 9 . 1 1 66 66 LEU N N 66 125.688 125.688 120.869 4.819 18749
3110 1 9 . 1 1 66 66 LEU HA H 66 4.088 4.088 3.983 0.105 18749
3111 1 9 . 1 1 66 66 LEU C C 66 178.676 178.676 178.016 0.660 18749
3112 1 9 . 1 1 66 66 LEU CA C 66 57.836 57.836 56.576 1.260 18749
3113 1 9 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.401 1.795 18749
3114 1 9 . 1 1 66 66 LEU H H 66 8.733 8.733 8.053 0.680 18749
3115 1 9 . 1 1 67 67 ALA N N 67 119.916 119.916 121.211 -1.295 18749
3116 1 9 . 1 1 67 67 ALA C C 67 180.513 180.513 178.658 1.855 18749
3117 1 9 . 1 1 67 67 ALA CA C 67 55.151 55.151 54.334 0.818 18749
3118 1 9 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.613 -0.495 18749
3119 1 9 . 1 1 67 67 ALA H H 67 8.076 8.076 7.605 0.471 18749
3120 1 9 . 1 1 68 68 ILE N N 68 119.735 119.735 116.077 3.658 18749
3121 1 9 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.759 -0.100 18749
3122 1 9 . 1 1 68 68 ILE C C 68 177.647 177.647 176.095 1.552 18749
3123 1 9 . 1 1 68 68 ILE CA C 68 63.267 63.267 63.056 0.211 18749
3124 1 9 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.539 -0.201 18749
3125 1 9 . 1 1 68 68 ILE H H 68 7.342 7.342 7.224 0.118 18749
3126 1 9 . 1 1 69 69 HIS N N 69 119.542 119.542 120.645 -1.103 18749
3127 1 9 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.437 -0.134 18749
3128 1 9 . 1 1 69 69 HIS CA C 69 59.224 59.224 56.136 3.088 18749
3129 1 9 . 1 1 69 69 HIS CB C 69 28.569 28.569 30.370 -1.801 18749
3130 1 9 . 1 1 69 69 HIS H H 69 6.608 6.608 8.088 -1.480 18749
3131 1 9 . 1 1 84 84 GLY C C 84 174.391 174.391 174.551 -0.160 18749
3132 1 9 . 1 1 84 84 GLY CA C 84 45.472 45.472 45.738 -0.266 18749
3133 1 9 . 1 1 85 85 THR N N 85 112.734 112.734 113.233 -0.499 18749
3134 1 9 . 1 1 85 85 THR C C 85 175.056 175.056 174.602 0.454 18749
3135 1 9 . 1 1 85 85 THR CA C 85 61.980 61.980 60.991 0.989 18749
3136 1 9 . 1 1 85 85 THR CB C 85 69.868 69.868 70.460 -0.592 18749
3137 1 9 . 1 1 85 85 THR H H 85 8.012 8.012 7.460 0.552 18749
3138 1 9 . 1 1 86 86 GLY N N 86 111.173 111.173 107.989 3.184 18749
3139 1 9 . 1 1 86 86 GLY C C 86 172.909 172.909 174.092 -1.183 18749
3140 1 9 . 1 1 86 86 GLY CA C 86 45.268 45.268 44.370 0.899 18749
3141 1 9 . 1 1 86 86 GLY H H 86 8.276 8.276 8.200 0.076 18749
3142 1 10 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.381 0.010 18749
3143 1 10 . 1 1 4 4 PRO C C 4 176.097 176.097 176.351 -0.254 18749
3144 1 10 . 1 1 4 4 PRO CA C 4 62.965 62.965 63.081 -0.116 18749
3145 1 10 . 1 1 4 4 PRO CB C 4 31.902 31.902 31.992 -0.090 18749
3146 1 10 . 1 1 5 5 VAL N N 5 121.993 121.993 120.190 1.803 18749
3147 1 10 . 1 1 5 5 VAL HA H 5 4.341 4.341 4.359 -0.018 18749
3148 1 10 . 1 1 5 5 VAL CA C 5 59.763 59.763 60.187 -0.424 18749
3149 1 10 . 1 1 5 5 VAL CB C 5 32.567 32.567 30.508 2.059 18749
3150 1 10 . 1 1 5 5 VAL H H 5 8.149 8.149 7.749 0.400 18749
3151 1 10 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.326 -0.070 18749
3152 1 10 . 1 1 6 6 PRO C C 6 176.167 176.167 176.093 0.074 18749
3153 1 10 . 1 1 6 6 PRO CA C 6 63.138 63.138 63.781 -0.643 18749
3154 1 10 . 1 1 6 6 PRO CB C 6 31.877 31.877 31.847 0.030 18749
3155 1 10 . 1 1 7 7 TYR N N 7 121.107 121.107 120.071 1.036 18749
3156 1 10 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.364 0.079 18749
3157 1 10 . 1 1 7 7 TYR CA C 7 55.602 55.602 56.629 -1.027 18749
3158 1 10 . 1 1 7 7 TYR CB C 7 38.212 38.212 36.891 1.321 18749
3159 1 10 . 1 1 7 7 TYR H H 7 7.945 7.945 8.305 -0.360 18749
3160 1 10 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.511 -0.223 18749
3161 1 10 . 1 1 8 8 PRO C C 8 176.122 176.122 175.379 0.743 18749
3162 1 10 . 1 1 8 8 PRO CA C 8 62.983 62.983 62.827 0.156 18749
3163 1 10 . 1 1 8 8 PRO CB C 8 31.913 31.913 33.837 -1.924 18749
3164 1 10 . 1 1 9 9 ASP N N 9 122.332 122.332 115.398 6.934 18749
3165 1 10 . 1 1 9 9 ASP HA H 9 4.466 4.466 4.589 -0.123 18749
3166 1 10 . 1 1 9 9 ASP CA C 9 52.317 52.317 55.003 -2.686 18749
3167 1 10 . 1 1 9 9 ASP CB C 9 41.371 41.371 39.987 1.384 18749
3168 1 10 . 1 1 9 9 ASP H H 9 8.204 8.204 8.338 -0.134 18749
3169 1 10 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.328 -0.019 18749
3170 1 10 . 1 1 10 10 PRO C C 10 177.003 177.003 177.823 -0.820 18749
3171 1 10 . 1 1 10 10 PRO CA C 10 63.635 63.635 64.145 -0.510 18749
3172 1 10 . 1 1 10 10 PRO CB C 10 32.207 32.207 31.612 0.595 18749
3173 1 10 . 1 1 11 11 LEU N N 11 120.566 120.566 118.671 1.895 18749
3174 1 10 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.183 0.038 18749
3175 1 10 . 1 1 11 11 LEU C C 11 177.277 177.277 176.970 0.307 18749
3176 1 10 . 1 1 11 11 LEU CA C 11 54.938 54.938 56.712 -1.774 18749
3177 1 10 . 1 1 11 11 LEU CB C 11 41.908 41.908 41.915 -0.007 18749
3178 1 10 . 1 1 11 11 LEU H H 11 8.295 8.295 7.896 0.399 18749
3179 1 10 . 1 1 12 12 GLU N N 12 122.415 122.415 116.172 6.243 18749
3180 1 10 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.550 -0.166 18749
3181 1 10 . 1 1 12 12 GLU CA C 12 54.384 54.384 53.998 0.386 18749
3182 1 10 . 1 1 12 12 GLU CB C 12 29.988 29.988 29.783 0.205 18749
3183 1 10 . 1 1 12 12 GLU H H 12 7.857 7.857 8.033 -0.176 18749
3184 1 10 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.408 -0.159 18749
3185 1 10 . 1 1 13 13 PRO C C 13 177.132 177.132 177.105 0.027 18749
3186 1 10 . 1 1 13 13 PRO CA C 13 63.458 63.458 63.598 -0.140 18749
3187 1 10 . 1 1 13 13 PRO CB C 13 31.862 31.862 31.997 -0.135 18749
3188 1 10 . 1 1 14 14 ARG N N 14 121.214 121.214 118.215 2.999 18749
3189 1 10 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.233 -0.074 18749
3190 1 10 . 1 1 14 14 ARG CA C 14 56.162 56.162 55.961 0.201 18749
3191 1 10 . 1 1 14 14 ARG CB C 14 30.632 30.632 30.512 0.120 18749
3192 1 10 . 1 1 14 14 ARG H H 14 8.337 8.337 7.769 0.568 18749
3193 1 10 . 1 1 15 15 GLY N N 15 109.686 109.686 108.775 0.911 18749
3194 1 10 . 1 1 15 15 GLY C C 15 174.130 174.130 174.994 -0.864 18749
3195 1 10 . 1 1 15 15 GLY CA C 15 45.312 45.312 45.430 -0.118 18749
3196 1 10 . 1 1 15 15 GLY H H 15 8.280 8.280 8.636 -0.356 18749
3197 1 10 . 1 1 16 16 GLY N N 16 108.011 108.011 108.265 -0.254 18749
3198 1 10 . 1 1 16 16 GLY C C 16 172.056 172.056 175.995 -3.939 18749
3199 1 10 . 1 1 16 16 GLY CA C 16 44.895 44.895 45.604 -0.709 18749
3200 1 10 . 1 1 16 16 GLY H H 16 7.764 7.764 8.401 -0.637 18749
3201 1 10 . 1 1 17 17 LYS N N 17 117.049 117.049 119.633 -2.584 18749
3202 1 10 . 1 1 17 17 LYS HA H 17 4.135 4.135 4.067 0.068 18749
3203 1 10 . 1 1 17 17 LYS C C 17 175.259 175.259 177.237 -1.978 18749
3204 1 10 . 1 1 17 17 LYS CA C 17 53.914 53.914 58.144 -4.230 18749
3205 1 10 . 1 1 17 17 LYS CB C 17 35.219 35.219 32.328 2.891 18749
3206 1 10 . 1 1 17 17 LYS H H 17 7.347 7.347 8.288 -0.941 18749
3207 1 10 . 1 1 18 18 HIS N N 18 120.426 120.426 115.425 5.001 18749
3208 1 10 . 1 1 18 18 HIS C C 18 175.419 175.419 175.216 0.203 18749
3209 1 10 . 1 1 18 18 HIS CA C 18 57.086 57.086 57.895 -0.809 18749
3210 1 10 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.069 0.423 18749
3211 1 10 . 1 1 19 19 ILE N N 19 126.193 126.193 117.311 8.882 18749
3212 1 10 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.539 -0.085 18749
3213 1 10 . 1 1 19 19 ILE C C 19 175.138 175.138 175.540 -0.402 18749
3214 1 10 . 1 1 19 19 ILE CA C 19 59.189 59.189 58.366 0.823 18749
3215 1 10 . 1 1 19 19 ILE CB C 19 41.816 41.816 37.491 4.325 18749
3216 1 10 . 1 1 19 19 ILE H H 19 8.180 8.180 7.258 0.922 18749
3217 1 10 . 1 1 20 20 CYS N N 20 127.805 127.805 126.879 0.926 18749
3218 1 10 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.507 0.408 18749
3219 1 10 . 1 1 20 20 CYS C C 20 174.996 174.996 175.981 -0.985 18749
3220 1 10 . 1 1 20 20 CYS CA C 20 57.370 57.370 58.588 -1.218 18749
3221 1 10 . 1 1 20 20 CYS CB C 20 32.008 32.008 29.613 2.395 18749
3222 1 10 . 1 1 20 20 CYS H H 20 8.382 8.382 8.735 -0.353 18749
3223 1 10 . 1 1 21 21 ALA N N 21 135.406 135.406 129.345 6.061 18749
3224 1 10 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.252 -0.090 18749
3225 1 10 . 1 1 21 21 ALA C C 21 177.885 177.885 177.659 0.226 18749
3226 1 10 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.429 0.063 18749
3227 1 10 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.958 0.667 18749
3228 1 10 . 1 1 21 21 ALA H H 21 8.742 8.742 8.838 -0.096 18749
3229 1 10 . 1 1 22 22 ILE N N 22 119.063 119.063 116.417 2.646 18749
3230 1 10 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.150 -0.289 18749
3231 1 10 . 1 1 22 22 ILE C C 22 176.914 176.914 177.118 -0.204 18749
3232 1 10 . 1 1 22 22 ILE CA C 22 63.218 63.218 62.335 0.883 18749
3233 1 10 . 1 1 22 22 ILE CB C 22 37.371 37.371 39.341 -1.970 18749
3234 1 10 . 1 1 22 22 ILE H H 22 8.150 8.150 7.477 0.673 18749
3235 1 10 . 1 1 23 23 CYS N N 23 114.362 114.362 118.313 -3.951 18749
3236 1 10 . 1 1 23 23 CYS C C 23 176.216 176.216 176.092 0.124 18749
3237 1 10 . 1 1 23 23 CYS CA C 23 57.878 57.878 59.544 -1.665 18749
3238 1 10 . 1 1 23 23 CYS CB C 23 30.456 30.456 26.438 4.018 18749
3239 1 10 . 1 1 23 23 CYS H H 23 7.238 7.238 8.350 -1.112 18749
3240 1 10 . 1 1 24 24 GLY N N 24 111.898 111.898 108.230 3.668 18749
3241 1 10 . 1 1 24 24 GLY C C 24 173.367 173.367 174.387 -1.020 18749
3242 1 10 . 1 1 24 24 GLY CA C 24 46.222 46.222 46.557 -0.335 18749
3243 1 10 . 1 1 24 24 GLY H H 24 7.566 7.566 8.462 -0.896 18749
3244 1 10 . 1 1 25 25 ASN N N 25 117.684 117.684 115.495 2.189 18749
3245 1 10 . 1 1 25 25 ASN HA H 25 4.763 4.763 5.107 -0.344 18749
3246 1 10 . 1 1 25 25 ASN C C 25 174.631 174.631 174.434 0.197 18749
3247 1 10 . 1 1 25 25 ASN CA C 25 51.901 51.901 53.255 -1.354 18749
3248 1 10 . 1 1 25 25 ASN CB C 25 40.666 40.666 39.931 0.735 18749
3249 1 10 . 1 1 25 25 ASN H H 25 7.781 7.781 8.559 -0.778 18749
3250 1 10 . 1 1 26 26 ASN N N 26 118.294 118.294 117.760 0.534 18749
3251 1 10 . 1 1 26 26 ASN HA H 26 4.570 4.570 4.742 -0.172 18749
3252 1 10 . 1 1 26 26 ASN C C 26 175.502 175.502 175.171 0.331 18749
3253 1 10 . 1 1 26 26 ASN CA C 26 53.980 53.980 53.674 0.306 18749
3254 1 10 . 1 1 26 26 ASN CB C 26 38.066 38.066 38.236 -0.170 18749
3255 1 10 . 1 1 26 26 ASN H H 26 8.562 8.562 8.490 0.072 18749
3256 1 10 . 1 1 27 27 ALA N N 27 126.538 126.538 122.702 3.836 18749
3257 1 10 . 1 1 27 27 ALA C C 27 177.920 177.920 175.873 2.047 18749
3258 1 10 . 1 1 27 27 ALA CA C 27 53.567 53.567 52.409 1.158 18749
3259 1 10 . 1 1 27 27 ALA CB C 27 18.852 18.852 16.776 2.076 18749
3260 1 10 . 1 1 27 27 ALA H H 27 8.217 8.217 8.395 -0.178 18749
3261 1 10 . 1 1 28 28 GLU N N 28 112.911 112.911 117.443 -4.532 18749
3262 1 10 . 1 1 28 28 GLU HA H 28 4.099 4.099 4.313 -0.214 18749
3263 1 10 . 1 1 28 28 GLU C C 28 177.423 177.423 175.836 1.587 18749
3264 1 10 . 1 1 28 28 GLU CA C 28 57.783 57.783 56.340 1.443 18749
3265 1 10 . 1 1 28 28 GLU CB C 28 30.926 30.926 30.997 -0.071 18749
3266 1 10 . 1 1 28 28 GLU H H 28 8.608 8.608 8.462 0.146 18749
3267 1 10 . 1 1 29 29 ASP N N 29 116.209 116.209 120.281 -4.072 18749
3268 1 10 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.504 -0.070 18749
3269 1 10 . 1 1 29 29 ASP C C 29 174.486 174.486 174.563 -0.077 18749
3270 1 10 . 1 1 29 29 ASP CA C 29 55.349 55.349 52.868 2.481 18749
3271 1 10 . 1 1 29 29 ASP CB C 29 42.596 42.596 42.019 0.577 18749
3272 1 10 . 1 1 29 29 ASP H H 29 7.272 7.272 7.633 -0.361 18749
3273 1 10 . 1 1 30 30 TYR N N 30 116.344 116.344 120.706 -4.362 18749
3274 1 10 . 1 1 30 30 TYR CA C 30 57.018 57.018 58.749 -1.731 18749
3275 1 10 . 1 1 30 30 TYR CB C 30 43.459 43.459 38.510 4.949 18749
3276 1 10 . 1 1 30 30 TYR H H 30 7.281 7.281 8.170 -0.889 18749
3277 1 10 . 1 1 31 31 LYS C C 31 177.018 177.018 176.413 0.605 18749
3278 1 10 . 1 1 32 32 HIS N N 32 116.170 116.170 117.758 -1.588 18749
3279 1 10 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.530 -0.728 18749
3280 1 10 . 1 1 32 32 HIS C C 32 173.979 173.979 177.236 -3.257 18749
3281 1 10 . 1 1 32 32 HIS CA C 32 55.136 55.136 59.035 -3.900 18749
3282 1 10 . 1 1 32 32 HIS CB C 32 33.128 33.128 30.315 2.813 18749
3283 1 10 . 1 1 32 32 HIS H H 32 7.691 7.691 8.335 -0.644 18749
3284 1 10 . 1 1 33 33 THR N N 33 108.605 108.605 111.135 -2.530 18749
3285 1 10 . 1 1 33 33 THR HA H 33 4.424 4.424 4.224 0.200 18749
3286 1 10 . 1 1 33 33 THR C C 33 175.107 175.107 175.084 0.023 18749
3287 1 10 . 1 1 33 33 THR CA C 33 60.218 60.218 63.439 -3.221 18749
3288 1 10 . 1 1 33 33 THR CB C 33 69.476 69.476 68.715 0.761 18749
3289 1 10 . 1 1 33 33 THR H H 33 8.051 8.051 8.371 -0.320 18749
3290 1 10 . 1 1 34 34 ASP N N 34 121.404 121.404 119.461 1.943 18749
3291 1 10 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.504 0.086 18749
3292 1 10 . 1 1 34 34 ASP C C 34 175.334 175.334 176.618 -1.284 18749
3293 1 10 . 1 1 34 34 ASP CA C 34 53.564 53.564 55.807 -2.243 18749
3294 1 10 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.933 -0.513 18749
3295 1 10 . 1 1 34 34 ASP H H 34 7.973 7.973 7.974 -0.001 18749
3296 1 10 . 1 1 35 35 MET N N 35 119.898 119.898 119.332 0.566 18749
3297 1 10 . 1 1 35 35 MET HA H 35 4.398 4.398 4.416 -0.018 18749
3298 1 10 . 1 1 35 35 MET C C 35 174.846 174.846 175.646 -0.800 18749
3299 1 10 . 1 1 35 35 MET CA C 35 55.631 55.631 55.301 0.330 18749
3300 1 10 . 1 1 35 35 MET CB C 35 33.382 33.382 33.101 0.281 18749
3301 1 10 . 1 1 35 35 MET H H 35 7.585 7.585 7.463 0.122 18749
3302 1 10 . 1 1 36 36 ASP N N 36 123.631 123.631 122.372 1.259 18749
3303 1 10 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.588 -0.102 18749
3304 1 10 . 1 1 36 36 ASP C C 36 176.456 176.456 176.021 0.435 18749
3305 1 10 . 1 1 36 36 ASP CA C 36 54.279 54.279 54.485 -0.206 18749
3306 1 10 . 1 1 36 36 ASP CB C 36 41.156 41.156 41.199 -0.043 18749
3307 1 10 . 1 1 36 36 ASP H H 36 8.360 8.360 8.333 0.027 18749
3308 1 10 . 1 1 37 37 LEU N N 37 123.812 123.812 121.346 2.466 18749
3309 1 10 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.564 -0.261 18749
3310 1 10 . 1 1 37 37 LEU C C 37 177.554 177.554 177.527 0.027 18749
3311 1 10 . 1 1 37 37 LEU CA C 37 55.317 55.317 54.247 1.070 18749
3312 1 10 . 1 1 37 37 LEU CB C 37 41.945 41.945 44.724 -2.779 18749
3313 1 10 . 1 1 37 37 LEU H H 37 8.224 8.224 8.130 0.094 18749
3314 1 10 . 1 1 38 38 THR N N 38 113.723 113.723 113.709 0.014 18749
3315 1 10 . 1 1 38 38 THR HA H 38 4.153 4.153 4.269 -0.116 18749
3316 1 10 . 1 1 38 38 THR C C 38 174.786 174.786 174.218 0.568 18749
3317 1 10 . 1 1 38 38 THR CA C 38 62.673 62.673 63.443 -0.770 18749
3318 1 10 . 1 1 38 38 THR CB C 38 69.792 69.792 69.152 0.640 18749
3319 1 10 . 1 1 38 38 THR H H 38 8.321 8.321 8.531 -0.210 18749
3320 1 10 . 1 1 39 39 TYR N N 39 121.098 121.098 119.290 1.808 18749
3321 1 10 . 1 1 39 39 TYR C C 39 175.992 175.992 173.573 2.419 18749
3322 1 10 . 1 1 39 39 TYR CA C 39 58.083 58.083 56.144 1.939 18749
3323 1 10 . 1 1 39 39 TYR CB C 39 38.309 38.309 39.497 -1.188 18749
3324 1 10 . 1 1 39 39 TYR H H 39 7.920 7.920 7.240 0.680 18749
3325 1 10 . 1 1 40 40 THR N N 40 113.380 113.380 112.787 0.593 18749
3326 1 10 . 1 1 40 40 THR C C 40 174.356 174.356 173.759 0.597 18749
3327 1 10 . 1 1 40 40 THR CA C 40 61.801 61.801 60.950 0.851 18749
3328 1 10 . 1 1 40 40 THR CB C 40 69.965 69.965 71.180 -1.215 18749
3329 1 10 . 1 1 40 40 THR H H 40 7.885 7.885 8.147 -0.262 18749
3330 1 10 . 1 1 41 41 ASP N N 41 121.537 121.537 121.332 0.205 18749
3331 1 10 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.669 -0.201 18749
3332 1 10 . 1 1 41 41 ASP C C 41 176.338 176.338 177.190 -0.852 18749
3333 1 10 . 1 1 41 41 ASP CA C 41 54.674 54.674 54.106 0.568 18749
3334 1 10 . 1 1 41 41 ASP CB C 41 40.996 40.996 41.714 -0.718 18749
3335 1 10 . 1 1 41 41 ASP H H 41 8.184 8.184 8.424 -0.240 18749
3336 1 10 . 1 1 42 42 ARG N N 42 119.745 119.745 123.062 -3.317 18749
3337 1 10 . 1 1 42 42 ARG HA H 42 4.171 4.171 3.905 0.266 18749
3338 1 10 . 1 1 42 42 ARG C C 42 175.906 175.906 176.405 -0.499 18749
3339 1 10 . 1 1 42 42 ARG CA C 42 56.644 56.644 57.540 -0.896 18749
3340 1 10 . 1 1 42 42 ARG CB C 42 30.788 30.788 30.577 0.211 18749
3341 1 10 . 1 1 42 42 ARG H H 42 7.997 7.997 8.410 -0.413 18749
3342 1 10 . 1 1 43 43 ASP N N 43 119.314 119.314 120.048 -0.734 18749
3343 1 10 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.615 -0.112 18749
3344 1 10 . 1 1 43 43 ASP C C 43 175.599 175.599 176.149 -0.550 18749
3345 1 10 . 1 1 43 43 ASP CA C 43 54.368 54.368 54.480 -0.112 18749
3346 1 10 . 1 1 43 43 ASP CB C 43 41.071 41.071 40.456 0.615 18749
3347 1 10 . 1 1 43 43 ASP H H 43 8.181 8.181 8.019 0.162 18749
3348 1 10 . 1 1 44 44 TYR N N 44 120.178 120.178 123.801 -3.623 18749
3349 1 10 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.217 0.107 18749
3350 1 10 . 1 1 44 44 TYR C C 44 175.321 175.321 176.792 -1.471 18749
3351 1 10 . 1 1 44 44 TYR CA C 44 58.553 58.553 60.092 -1.539 18749
3352 1 10 . 1 1 44 44 TYR CB C 44 38.614 38.614 38.717 -0.103 18749
3353 1 10 . 1 1 44 44 TYR H H 44 7.806 7.806 8.208 -0.402 18749
3354 1 10 . 1 1 45 45 LYS N N 45 123.353 123.353 120.676 2.677 18749
3355 1 10 . 1 1 45 45 LYS CA C 45 55.745 55.745 56.040 -0.295 18749
3356 1 10 . 1 1 45 45 LYS CB C 45 33.789 33.789 32.967 0.822 18749
3357 1 10 . 1 1 45 45 LYS H H 45 7.731 7.731 8.070 -0.339 18749
3358 1 10 . 1 1 47 47 CYS N N 47 125.060 125.060 122.209 2.851 18749
3359 1 10 . 1 1 47 47 CYS H H 47 8.811 8.811 8.569 0.242 18749
3360 1 10 . 1 1 48 48 GLU C C 48 178.473 178.473 176.041 2.432 18749
3361 1 10 . 1 1 49 49 SER N N 49 120.359 120.359 118.933 1.426 18749
3362 1 10 . 1 1 49 49 SER C C 49 172.276 172.276 173.580 -1.304 18749
3363 1 10 . 1 1 49 49 SER CA C 49 61.125 61.125 59.793 1.332 18749
3364 1 10 . 1 1 49 49 SER CB C 49 63.224 63.224 63.558 -0.334 18749
3365 1 10 . 1 1 49 49 SER H H 49 8.737 8.737 8.115 0.622 18749
3366 1 10 . 1 1 50 50 TYR N N 50 110.556 110.556 116.726 -6.170 18749
3367 1 10 . 1 1 50 50 TYR C C 50 175.624 175.624 174.087 1.537 18749
3368 1 10 . 1 1 50 50 TYR CA C 50 59.205 59.205 56.251 2.954 18749
3369 1 10 . 1 1 50 50 TYR CB C 50 38.197 38.197 41.276 -3.079 18749
3370 1 10 . 1 1 50 50 TYR H H 50 6.326 6.326 7.261 -0.935 18749
3371 1 10 . 1 1 51 51 HIS N N 51 119.871 119.871 120.593 -0.722 18749
3372 1 10 . 1 1 51 51 HIS HA H 51 3.757 3.757 4.579 -0.822 18749
3373 1 10 . 1 1 51 51 HIS C C 51 176.588 176.588 175.146 1.442 18749
3374 1 10 . 1 1 51 51 HIS CA C 51 59.323 59.323 56.111 3.212 18749
3375 1 10 . 1 1 51 51 HIS CB C 51 27.514 27.514 28.538 -1.024 18749
3376 1 10 . 1 1 51 51 HIS H H 51 5.890 5.890 8.583 -2.693 18749
3377 1 10 . 1 1 52 52 LYS N N 52 122.505 122.505 120.661 1.844 18749
3378 1 10 . 1 1 52 52 LYS C C 52 178.958 178.958 176.094 2.864 18749
3379 1 10 . 1 1 52 52 LYS CA C 52 58.922 58.922 57.388 1.534 18749
3380 1 10 . 1 1 52 52 LYS CB C 52 31.291 31.291 33.361 -2.070 18749
3381 1 10 . 1 1 52 52 LYS H H 52 7.660 7.660 8.234 -0.574 18749
3382 1 10 . 1 1 53 53 CYS N N 53 117.268 117.268 115.596 1.672 18749
3383 1 10 . 1 1 53 53 CYS C C 53 179.241 179.241 173.894 5.347 18749
3384 1 10 . 1 1 53 53 CYS CA C 53 64.802 64.802 58.460 6.342 18749
3385 1 10 . 1 1 53 53 CYS CB C 53 30.906 30.906 29.621 1.285 18749
3386 1 10 . 1 1 53 53 CYS H H 53 8.256 8.256 7.846 0.410 18749
3387 1 10 . 1 1 54 54 SER N N 54 111.716 111.716 117.742 -6.026 18749
3388 1 10 . 1 1 54 54 SER HA H 54 3.839 3.839 4.116 -0.277 18749
3389 1 10 . 1 1 54 54 SER C C 54 175.922 175.922 174.743 1.179 18749
3390 1 10 . 1 1 54 54 SER CA C 54 60.263 60.263 59.104 1.159 18749
3391 1 10 . 1 1 54 54 SER CB C 54 64.120 64.120 62.524 1.596 18749
3392 1 10 . 1 1 54 54 SER H H 54 7.671 7.671 8.450 -0.779 18749
3393 1 10 . 1 1 55 55 ASP N N 55 119.056 119.056 121.042 -1.986 18749
3394 1 10 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.323 -0.028 18749
3395 1 10 . 1 1 55 55 ASP C C 55 178.101 178.101 177.951 0.150 18749
3396 1 10 . 1 1 55 55 ASP CA C 55 57.387 57.387 56.626 0.761 18749
3397 1 10 . 1 1 55 55 ASP CB C 55 40.315 40.315 40.885 -0.570 18749
3398 1 10 . 1 1 55 55 ASP H H 55 7.438 7.438 8.718 -1.280 18749
3399 1 10 . 1 1 56 56 LEU N N 56 118.324 118.324 118.556 -0.232 18749
3400 1 10 . 1 1 56 56 LEU HA H 56 4.168 4.168 4.098 0.070 18749
3401 1 10 . 1 1 56 56 LEU C C 56 176.250 176.250 177.447 -1.197 18749
3402 1 10 . 1 1 56 56 LEU CA C 56 55.333 55.333 56.124 -0.791 18749
3403 1 10 . 1 1 56 56 LEU CB C 56 43.173 43.173 42.028 1.145 18749
3404 1 10 . 1 1 56 56 LEU H H 56 7.565 7.565 7.658 -0.093 18749
3405 1 10 . 1 1 57 57 CYS N N 57 124.095 124.095 118.682 5.413 18749
3406 1 10 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.677 -0.422 18749
3407 1 10 . 1 1 57 57 CYS C C 57 177.371 177.371 175.296 2.075 18749
3408 1 10 . 1 1 57 57 CYS CA C 57 59.255 59.255 58.065 1.190 18749
3409 1 10 . 1 1 57 57 CYS CB C 57 30.128 30.128 26.839 3.289 18749
3410 1 10 . 1 1 57 57 CYS H H 57 7.265 7.265 7.847 -0.582 18749
3411 1 10 . 1 1 58 58 GLN N N 58 131.839 131.839 128.218 3.621 18749
3412 1 10 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.118 -0.195 18749
3413 1 10 . 1 1 58 58 GLN C C 58 178.435 178.435 177.769 0.666 18749
3414 1 10 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.277 1.011 18749
3415 1 10 . 1 1 58 58 GLN CB C 58 28.195 28.195 28.536 -0.341 18749
3416 1 10 . 1 1 58 58 GLN H H 58 9.451 9.451 8.976 0.475 18749
3417 1 10 . 1 1 59 59 TYR N N 59 124.026 124.026 120.608 3.418 18749
3418 1 10 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.525 -0.096 18749
3419 1 10 . 1 1 59 59 TYR C C 59 178.722 178.722 177.085 1.637 18749
3420 1 10 . 1 1 59 59 TYR CA C 59 60.295 60.295 61.428 -1.133 18749
3421 1 10 . 1 1 59 59 TYR CB C 59 38.591 38.591 38.576 0.015 18749
3422 1 10 . 1 1 59 59 TYR H H 59 8.699 8.699 8.234 0.465 18749
3423 1 10 . 1 1 60 60 CYS N N 60 122.268 122.268 117.072 5.196 18749
3424 1 10 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.709 -0.392 18749
3425 1 10 . 1 1 60 60 CYS C C 60 176.011 176.011 177.001 -0.990 18749
3426 1 10 . 1 1 60 60 CYS CA C 60 64.499 64.499 61.174 3.325 18749
3427 1 10 . 1 1 60 60 CYS CB C 60 30.203 30.203 25.865 4.338 18749
3428 1 10 . 1 1 60 60 CYS H H 60 8.432 8.432 7.929 0.503 18749
3429 1 10 . 1 1 61 61 ARG N N 61 116.449 116.449 118.896 -2.447 18749
3430 1 10 . 1 1 61 61 ARG HA H 61 3.895 3.895 4.056 -0.161 18749
3431 1 10 . 1 1 61 61 ARG C C 61 176.965 176.965 177.761 -0.796 18749
3432 1 10 . 1 1 61 61 ARG CA C 61 58.336 58.336 58.757 -0.421 18749
3433 1 10 . 1 1 61 61 ARG CB C 61 29.771 29.771 30.104 -0.333 18749
3434 1 10 . 1 1 61 61 ARG H H 61 7.265 7.265 7.631 -0.366 18749
3435 1 10 . 1 1 62 62 TYR N N 62 117.341 117.341 116.743 0.598 18749
3436 1 10 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.388 0.081 18749
3437 1 10 . 1 1 62 62 TYR C C 62 175.562 175.562 176.755 -1.193 18749
3438 1 10 . 1 1 62 62 TYR CA C 62 58.566 58.566 60.474 -1.908 18749
3439 1 10 . 1 1 62 62 TYR CB C 62 39.182 39.182 39.653 -0.471 18749
3440 1 10 . 1 1 62 62 TYR H H 62 7.259 7.259 7.706 -0.447 18749
3441 1 10 . 1 1 63 63 GLN N N 63 121.663 121.663 117.366 4.297 18749
3442 1 10 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.580 -0.370 18749
3443 1 10 . 1 1 63 63 GLN C C 63 173.076 173.076 174.938 -1.862 18749
3444 1 10 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.771 -0.279 18749
3445 1 10 . 1 1 63 63 GLN CB C 63 29.401 29.401 31.602 -2.201 18749
3446 1 10 . 1 1 63 63 GLN H H 63 7.856 7.856 7.765 0.091 18749
3447 1 10 . 1 1 64 64 LYS N N 64 127.668 127.668 125.553 2.115 18749
3448 1 10 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.159 0.142 18749
3449 1 10 . 1 1 64 64 LYS C C 64 177.301 177.301 175.975 1.326 18749
3450 1 10 . 1 1 64 64 LYS CA C 64 58.182 58.182 57.445 0.737 18749
3451 1 10 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.512 0.002 18749
3452 1 10 . 1 1 64 64 LYS H H 64 8.204 8.204 8.695 -0.491 18749
3453 1 10 . 1 1 65 65 ASP N N 65 131.040 131.040 123.673 7.367 18749
3454 1 10 . 1 1 65 65 ASP C C 65 174.529 174.529 177.209 -2.680 18749
3455 1 10 . 1 1 65 65 ASP CA C 65 53.232 53.232 53.788 -0.556 18749
3456 1 10 . 1 1 65 65 ASP CB C 65 41.222 41.222 41.573 -0.351 18749
3457 1 10 . 1 1 65 65 ASP H H 65 8.677 8.677 8.451 0.226 18749
3458 1 10 . 1 1 66 66 LEU N N 66 125.688 125.688 121.354 4.334 18749
3459 1 10 . 1 1 66 66 LEU HA H 66 4.088 4.088 4.080 0.008 18749
3460 1 10 . 1 1 66 66 LEU C C 66 178.676 178.676 178.432 0.244 18749
3461 1 10 . 1 1 66 66 LEU CA C 66 57.836 57.836 57.049 0.787 18749
3462 1 10 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.496 1.700 18749
3463 1 10 . 1 1 66 66 LEU H H 66 8.733 8.733 8.226 0.507 18749
3464 1 10 . 1 1 67 67 ALA N N 67 119.916 119.916 122.760 -2.844 18749
3465 1 10 . 1 1 67 67 ALA C C 67 180.513 180.513 178.708 1.805 18749
3466 1 10 . 1 1 67 67 ALA CA C 67 55.151 55.151 54.800 0.351 18749
3467 1 10 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.532 -0.414 18749
3468 1 10 . 1 1 67 67 ALA H H 67 8.076 8.076 7.882 0.194 18749
3469 1 10 . 1 1 68 68 ILE N N 68 119.735 119.735 113.882 5.853 18749
3470 1 10 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.748 -0.089 18749
3471 1 10 . 1 1 68 68 ILE C C 68 177.647 177.647 177.459 0.188 18749
3472 1 10 . 1 1 68 68 ILE CA C 68 63.267 63.267 64.133 -0.866 18749
3473 1 10 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.574 -0.236 18749
3474 1 10 . 1 1 68 68 ILE H H 68 7.342 7.342 7.343 -0.001 18749
3475 1 10 . 1 1 69 69 HIS N N 69 119.542 119.542 120.142 -0.600 18749
3476 1 10 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.212 0.091 18749
3477 1 10 . 1 1 69 69 HIS CA C 69 59.224 59.224 58.575 0.649 18749
3478 1 10 . 1 1 69 69 HIS CB C 69 28.569 28.569 30.234 -1.665 18749
3479 1 10 . 1 1 69 69 HIS H H 69 6.608 6.608 8.256 -1.648 18749
3480 1 10 . 1 1 84 84 GLY C C 84 174.391 174.391 174.479 -0.088 18749
3481 1 10 . 1 1 84 84 GLY CA C 84 45.472 45.472 44.590 0.882 18749
3482 1 10 . 1 1 85 85 THR N N 85 112.734 112.734 115.377 -2.643 18749
3483 1 10 . 1 1 85 85 THR C C 85 175.056 175.056 176.125 -1.069 18749
3484 1 10 . 1 1 85 85 THR CA C 85 61.980 61.980 64.226 -2.246 18749
3485 1 10 . 1 1 85 85 THR CB C 85 69.868 69.868 68.981 0.887 18749
3486 1 10 . 1 1 85 85 THR H H 85 8.012 8.012 8.244 -0.232 18749
3487 1 10 . 1 1 86 86 GLY N N 86 111.173 111.173 113.410 -2.237 18749
3488 1 10 . 1 1 86 86 GLY C C 86 172.909 172.909 174.478 -1.569 18749
3489 1 10 . 1 1 86 86 GLY CA C 86 45.268 45.268 45.332 -0.064 18749
3490 1 10 . 1 1 86 86 GLY H H 86 8.276 8.276 8.854 -0.578 18749
3491 1 11 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.448 -0.057 18749
3492 1 11 . 1 1 4 4 PRO C C 4 176.097 176.097 176.597 -0.500 18749
3493 1 11 . 1 1 4 4 PRO CA C 4 62.965 62.965 62.916 0.049 18749
3494 1 11 . 1 1 4 4 PRO CB C 4 31.902 31.902 32.184 -0.282 18749
3495 1 11 . 1 1 5 5 VAL N N 5 121.993 121.993 118.619 3.374 18749
3496 1 11 . 1 1 5 5 VAL HA H 5 4.341 4.341 3.769 0.572 18749
3497 1 11 . 1 1 5 5 VAL CA C 5 59.763 59.763 62.423 -2.660 18749
3498 1 11 . 1 1 5 5 VAL CB C 5 32.567 32.567 30.543 2.024 18749
3499 1 11 . 1 1 5 5 VAL H H 5 8.149 8.149 8.388 -0.239 18749
3500 1 11 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.142 0.114 18749
3501 1 11 . 1 1 6 6 PRO C C 6 176.167 176.167 176.267 -0.100 18749
3502 1 11 . 1 1 6 6 PRO CA C 6 63.138 63.138 64.565 -1.427 18749
3503 1 11 . 1 1 6 6 PRO CB C 6 31.877 31.877 32.073 -0.196 18749
3504 1 11 . 1 1 7 7 TYR N N 7 121.107 121.107 113.942 7.165 18749
3505 1 11 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.627 -0.184 18749
3506 1 11 . 1 1 7 7 TYR CA C 7 55.602 55.602 55.474 0.128 18749
3507 1 11 . 1 1 7 7 TYR CB C 7 38.212 38.212 40.299 -2.087 18749
3508 1 11 . 1 1 7 7 TYR H H 7 7.945 7.945 7.507 0.438 18749
3509 1 11 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.480 -0.192 18749
3510 1 11 . 1 1 8 8 PRO C C 8 176.122 176.122 175.664 0.458 18749
3511 1 11 . 1 1 8 8 PRO CA C 8 62.983 62.983 64.250 -1.267 18749
3512 1 11 . 1 1 8 8 PRO CB C 8 31.913 31.913 32.580 -0.667 18749
3513 1 11 . 1 1 9 9 ASP N N 9 122.332 122.332 118.169 4.163 18749
3514 1 11 . 1 1 9 9 ASP HA H 9 4.466 4.466 4.822 -0.356 18749
3515 1 11 . 1 1 9 9 ASP CA C 9 52.317 52.317 52.344 -0.027 18749
3516 1 11 . 1 1 9 9 ASP CB C 9 41.371 41.371 41.707 -0.336 18749
3517 1 11 . 1 1 9 9 ASP H H 9 8.204 8.204 8.218 -0.014 18749
3518 1 11 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.396 -0.087 18749
3519 1 11 . 1 1 10 10 PRO C C 10 177.003 177.003 177.545 -0.542 18749
3520 1 11 . 1 1 10 10 PRO CA C 10 63.635 63.635 64.287 -0.652 18749
3521 1 11 . 1 1 10 10 PRO CB C 10 32.207 32.207 31.855 0.352 18749
3522 1 11 . 1 1 11 11 LEU N N 11 120.566 120.566 116.315 4.251 18749
3523 1 11 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.151 0.070 18749
3524 1 11 . 1 1 11 11 LEU C C 11 177.277 177.277 176.901 0.376 18749
3525 1 11 . 1 1 11 11 LEU CA C 11 54.938 54.938 55.604 -0.666 18749
3526 1 11 . 1 1 11 11 LEU CB C 11 41.908 41.908 42.161 -0.253 18749
3527 1 11 . 1 1 11 11 LEU H H 11 8.295 8.295 7.555 0.740 18749
3528 1 11 . 1 1 12 12 GLU N N 12 122.415 122.415 115.634 6.781 18749
3529 1 11 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.068 0.316 18749
3530 1 11 . 1 1 12 12 GLU CA C 12 54.384 54.384 56.373 -1.989 18749
3531 1 11 . 1 1 12 12 GLU CB C 12 29.988 29.988 27.703 2.285 18749
3532 1 11 . 1 1 12 12 GLU H H 12 7.857 7.857 7.759 0.098 18749
3533 1 11 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.423 -0.174 18749
3534 1 11 . 1 1 13 13 PRO C C 13 177.132 177.132 177.280 -0.148 18749
3535 1 11 . 1 1 13 13 PRO CA C 13 63.458 63.458 63.025 0.433 18749
3536 1 11 . 1 1 13 13 PRO CB C 13 31.862 31.862 32.199 -0.337 18749
3537 1 11 . 1 1 14 14 ARG N N 14 121.214 121.214 121.911 -0.697 18749
3538 1 11 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.089 0.070 18749
3539 1 11 . 1 1 14 14 ARG CA C 14 56.162 56.162 56.859 -0.697 18749
3540 1 11 . 1 1 14 14 ARG CB C 14 30.632 30.632 30.279 0.353 18749
3541 1 11 . 1 1 14 14 ARG H H 14 8.337 8.337 8.510 -0.173 18749
3542 1 11 . 1 1 15 15 GLY N N 15 109.686 109.686 107.689 1.997 18749
3543 1 11 . 1 1 15 15 GLY C C 15 174.130 174.130 173.262 0.868 18749
3544 1 11 . 1 1 15 15 GLY CA C 15 45.312 45.312 44.690 0.622 18749
3545 1 11 . 1 1 15 15 GLY H H 15 8.280 8.280 7.957 0.323 18749
3546 1 11 . 1 1 16 16 GLY N N 16 108.011 108.011 107.098 0.913 18749
3547 1 11 . 1 1 16 16 GLY C C 16 172.056 172.056 174.239 -2.183 18749
3548 1 11 . 1 1 16 16 GLY CA C 16 44.895 44.895 44.787 0.108 18749
3549 1 11 . 1 1 16 16 GLY H H 16 7.764 7.764 8.224 -0.460 18749
3550 1 11 . 1 1 17 17 LYS N N 17 117.049 117.049 122.974 -5.925 18749
3551 1 11 . 1 1 17 17 LYS HA H 17 4.135 4.135 4.078 0.057 18749
3552 1 11 . 1 1 17 17 LYS C C 17 175.259 175.259 177.301 -2.042 18749
3553 1 11 . 1 1 17 17 LYS CA C 17 53.914 53.914 57.843 -3.929 18749
3554 1 11 . 1 1 17 17 LYS CB C 17 35.219 35.219 32.528 2.691 18749
3555 1 11 . 1 1 17 17 LYS H H 17 7.347 7.347 8.557 -1.210 18749
3556 1 11 . 1 1 18 18 HIS N N 18 120.426 120.426 116.349 4.077 18749
3557 1 11 . 1 1 18 18 HIS C C 18 175.419 175.419 174.902 0.517 18749
3558 1 11 . 1 1 18 18 HIS CA C 18 57.086 57.086 57.795 -0.710 18749
3559 1 11 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.313 0.179 18749
3560 1 11 . 1 1 19 19 ILE N N 19 126.193 126.193 116.702 9.491 18749
3561 1 11 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.442 0.012 18749
3562 1 11 . 1 1 19 19 ILE C C 19 175.138 175.138 175.378 -0.240 18749
3563 1 11 . 1 1 19 19 ILE CA C 19 59.189 59.189 59.727 -0.538 18749
3564 1 11 . 1 1 19 19 ILE CB C 19 41.816 41.816 39.233 2.583 18749
3565 1 11 . 1 1 19 19 ILE H H 19 8.180 8.180 7.168 1.012 18749
3566 1 11 . 1 1 20 20 CYS N N 20 127.805 127.805 127.342 0.463 18749
3567 1 11 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.503 0.412 18749
3568 1 11 . 1 1 20 20 CYS C C 20 174.996 174.996 176.098 -1.102 18749
3569 1 11 . 1 1 20 20 CYS CA C 20 57.370 57.370 58.700 -1.330 18749
3570 1 11 . 1 1 20 20 CYS CB C 20 32.008 32.008 29.501 2.507 18749
3571 1 11 . 1 1 20 20 CYS H H 20 8.382 8.382 8.825 -0.443 18749
3572 1 11 . 1 1 21 21 ALA N N 21 135.406 135.406 129.924 5.482 18749
3573 1 11 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.146 0.016 18749
3574 1 11 . 1 1 21 21 ALA C C 21 177.885 177.885 177.368 0.517 18749
3575 1 11 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.326 0.166 18749
3576 1 11 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.852 0.773 18749
3577 1 11 . 1 1 21 21 ALA H H 21 8.742 8.742 8.777 -0.035 18749
3578 1 11 . 1 1 22 22 ILE N N 22 119.063 119.063 116.606 2.457 18749
3579 1 11 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.245 -0.384 18749
3580 1 11 . 1 1 22 22 ILE C C 22 176.914 176.914 177.482 -0.568 18749
3581 1 11 . 1 1 22 22 ILE CA C 22 63.218 63.218 61.967 1.251 18749
3582 1 11 . 1 1 22 22 ILE CB C 22 37.371 37.371 38.567 -1.196 18749
3583 1 11 . 1 1 22 22 ILE H H 22 8.150 8.150 7.593 0.557 18749
3584 1 11 . 1 1 23 23 CYS N N 23 114.362 114.362 117.296 -2.934 18749
3585 1 11 . 1 1 23 23 CYS C C 23 176.216 176.216 175.732 0.484 18749
3586 1 11 . 1 1 23 23 CYS CA C 23 57.878 57.878 59.492 -1.614 18749
3587 1 11 . 1 1 23 23 CYS CB C 23 30.456 30.456 26.849 3.607 18749
3588 1 11 . 1 1 23 23 CYS H H 23 7.238 7.238 8.205 -0.967 18749
3589 1 11 . 1 1 24 24 GLY N N 24 111.898 111.898 107.871 4.027 18749
3590 1 11 . 1 1 24 24 GLY C C 24 173.367 173.367 174.318 -0.951 18749
3591 1 11 . 1 1 24 24 GLY CA C 24 46.222 46.222 46.826 -0.604 18749
3592 1 11 . 1 1 24 24 GLY H H 24 7.566 7.566 8.390 -0.824 18749
3593 1 11 . 1 1 25 25 ASN N N 25 117.684 117.684 115.552 2.132 18749
3594 1 11 . 1 1 25 25 ASN HA H 25 4.763 4.763 5.075 -0.312 18749
3595 1 11 . 1 1 25 25 ASN C C 25 174.631 174.631 174.539 0.092 18749
3596 1 11 . 1 1 25 25 ASN CA C 25 51.901 51.901 53.189 -1.288 18749
3597 1 11 . 1 1 25 25 ASN CB C 25 40.666 40.666 39.865 0.801 18749
3598 1 11 . 1 1 25 25 ASN H H 25 7.781 7.781 8.477 -0.696 18749
3599 1 11 . 1 1 26 26 ASN N N 26 118.294 118.294 117.635 0.659 18749
3600 1 11 . 1 1 26 26 ASN HA H 26 4.570 4.570 5.042 -0.472 18749
3601 1 11 . 1 1 26 26 ASN C C 26 175.502 175.502 175.640 -0.138 18749
3602 1 11 . 1 1 26 26 ASN CA C 26 53.980 53.980 53.389 0.591 18749
3603 1 11 . 1 1 26 26 ASN CB C 26 38.066 38.066 38.697 -0.631 18749
3604 1 11 . 1 1 26 26 ASN H H 26 8.562 8.562 8.550 0.012 18749
3605 1 11 . 1 1 27 27 ALA N N 27 126.538 126.538 122.820 3.718 18749
3606 1 11 . 1 1 27 27 ALA C C 27 177.920 177.920 178.120 -0.200 18749
3607 1 11 . 1 1 27 27 ALA CA C 27 53.567 53.567 54.601 -1.034 18749
3608 1 11 . 1 1 27 27 ALA CB C 27 18.852 18.852 18.737 0.115 18749
3609 1 11 . 1 1 27 27 ALA H H 27 8.217 8.217 8.279 -0.062 18749
3610 1 11 . 1 1 28 28 GLU N N 28 112.911 112.911 117.595 -4.684 18749
3611 1 11 . 1 1 28 28 GLU HA H 28 4.099 4.099 4.029 0.070 18749
3612 1 11 . 1 1 28 28 GLU C C 28 177.423 177.423 176.793 0.630 18749
3613 1 11 . 1 1 28 28 GLU CA C 28 57.783 57.783 57.655 0.128 18749
3614 1 11 . 1 1 28 28 GLU CB C 28 30.926 30.926 29.635 1.291 18749
3615 1 11 . 1 1 28 28 GLU H H 28 8.608 8.608 8.627 -0.019 18749
3616 1 11 . 1 1 29 29 ASP N N 29 116.209 116.209 120.678 -4.469 18749
3617 1 11 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.088 0.346 18749
3618 1 11 . 1 1 29 29 ASP C C 29 174.486 174.486 176.132 -1.646 18749
3619 1 11 . 1 1 29 29 ASP CA C 29 55.349 55.349 53.618 1.731 18749
3620 1 11 . 1 1 29 29 ASP CB C 29 42.596 42.596 40.970 1.626 18749
3621 1 11 . 1 1 29 29 ASP H H 29 7.272 7.272 7.994 -0.722 18749
3622 1 11 . 1 1 30 30 TYR N N 30 116.344 116.344 118.393 -2.049 18749
3623 1 11 . 1 1 30 30 TYR CA C 30 57.018 57.018 59.719 -2.701 18749
3624 1 11 . 1 1 30 30 TYR CB C 30 43.459 43.459 38.547 4.912 18749
3625 1 11 . 1 1 30 30 TYR H H 30 7.281 7.281 8.189 -0.908 18749
3626 1 11 . 1 1 31 31 LYS C C 31 177.018 177.018 176.338 0.680 18749
3627 1 11 . 1 1 32 32 HIS N N 32 116.170 116.170 117.793 -1.623 18749
3628 1 11 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.481 -0.679 18749
3629 1 11 . 1 1 32 32 HIS C C 32 173.979 173.979 176.748 -2.769 18749
3630 1 11 . 1 1 32 32 HIS CA C 32 55.136 55.136 59.549 -4.413 18749
3631 1 11 . 1 1 32 32 HIS CB C 32 33.128 33.128 30.602 2.526 18749
3632 1 11 . 1 1 32 32 HIS H H 32 7.691 7.691 7.767 -0.076 18749
3633 1 11 . 1 1 33 33 THR N N 33 108.605 108.605 110.734 -2.129 18749
3634 1 11 . 1 1 33 33 THR HA H 33 4.424 4.424 4.248 0.176 18749
3635 1 11 . 1 1 33 33 THR C C 33 175.107 175.107 174.796 0.311 18749
3636 1 11 . 1 1 33 33 THR CA C 33 60.218 60.218 63.185 -2.967 18749
3637 1 11 . 1 1 33 33 THR CB C 33 69.476 69.476 68.681 0.795 18749
3638 1 11 . 1 1 33 33 THR H H 33 8.051 8.051 7.755 0.296 18749
3639 1 11 . 1 1 34 34 ASP N N 34 121.404 121.404 120.332 1.072 18749
3640 1 11 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.490 0.100 18749
3641 1 11 . 1 1 34 34 ASP C C 34 175.334 175.334 176.804 -1.470 18749
3642 1 11 . 1 1 34 34 ASP CA C 34 53.564 53.564 56.579 -3.015 18749
3643 1 11 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.476 -0.056 18749
3644 1 11 . 1 1 34 34 ASP H H 34 7.973 7.973 8.275 -0.302 18749
3645 1 11 . 1 1 35 35 MET N N 35 119.898 119.898 116.927 2.971 18749
3646 1 11 . 1 1 35 35 MET HA H 35 4.398 4.398 4.286 0.112 18749
3647 1 11 . 1 1 35 35 MET C C 35 174.846 174.846 176.599 -1.753 18749
3648 1 11 . 1 1 35 35 MET CA C 35 55.631 55.631 57.544 -1.913 18749
3649 1 11 . 1 1 35 35 MET CB C 35 33.382 33.382 33.340 0.042 18749
3650 1 11 . 1 1 35 35 MET H H 35 7.585 7.585 7.476 0.109 18749
3651 1 11 . 1 1 36 36 ASP N N 36 123.631 123.631 118.991 4.640 18749
3652 1 11 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.664 -0.178 18749
3653 1 11 . 1 1 36 36 ASP C C 36 176.456 176.456 175.770 0.686 18749
3654 1 11 . 1 1 36 36 ASP CA C 36 54.279 54.279 54.426 -0.147 18749
3655 1 11 . 1 1 36 36 ASP CB C 36 41.156 41.156 41.752 -0.596 18749
3656 1 11 . 1 1 36 36 ASP H H 36 8.360 8.360 7.960 0.400 18749
3657 1 11 . 1 1 37 37 LEU N N 37 123.812 123.812 120.765 3.047 18749
3658 1 11 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.450 -0.147 18749
3659 1 11 . 1 1 37 37 LEU C C 37 177.554 177.554 176.941 0.613 18749
3660 1 11 . 1 1 37 37 LEU CA C 37 55.317 55.317 54.160 1.157 18749
3661 1 11 . 1 1 37 37 LEU CB C 37 41.945 41.945 40.993 0.952 18749
3662 1 11 . 1 1 37 37 LEU H H 37 8.224 8.224 8.264 -0.040 18749
3663 1 11 . 1 1 38 38 THR N N 38 113.723 113.723 111.520 2.203 18749
3664 1 11 . 1 1 38 38 THR HA H 38 4.153 4.153 4.226 -0.073 18749
3665 1 11 . 1 1 38 38 THR C C 38 174.786 174.786 174.109 0.677 18749
3666 1 11 . 1 1 38 38 THR CA C 38 62.673 62.673 61.057 1.616 18749
3667 1 11 . 1 1 38 38 THR CB C 38 69.792 69.792 69.927 -0.135 18749
3668 1 11 . 1 1 38 38 THR H H 38 8.321 8.321 7.274 1.047 18749
3669 1 11 . 1 1 39 39 TYR N N 39 121.098 121.098 119.873 1.225 18749
3670 1 11 . 1 1 39 39 TYR C C 39 175.992 175.992 176.734 -0.742 18749
3671 1 11 . 1 1 39 39 TYR CA C 39 58.083 58.083 58.142 -0.059 18749
3672 1 11 . 1 1 39 39 TYR CB C 39 38.309 38.309 38.982 -0.673 18749
3673 1 11 . 1 1 39 39 TYR H H 39 7.920 7.920 8.438 -0.518 18749
3674 1 11 . 1 1 40 40 THR N N 40 113.380 113.380 117.434 -4.054 18749
3675 1 11 . 1 1 40 40 THR C C 40 174.356 174.356 174.470 -0.114 18749
3676 1 11 . 1 1 40 40 THR CA C 40 61.801 61.801 63.319 -1.518 18749
3677 1 11 . 1 1 40 40 THR CB C 40 69.965 69.965 69.575 0.390 18749
3678 1 11 . 1 1 40 40 THR H H 40 7.885 7.885 8.183 -0.298 18749
3679 1 11 . 1 1 41 41 ASP N N 41 121.537 121.537 124.895 -3.358 18749
3680 1 11 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.698 -0.230 18749
3681 1 11 . 1 1 41 41 ASP C C 41 176.338 176.338 175.809 0.529 18749
3682 1 11 . 1 1 41 41 ASP CA C 41 54.674 54.674 53.689 0.985 18749
3683 1 11 . 1 1 41 41 ASP CB C 41 40.996 40.996 41.616 -0.620 18749
3684 1 11 . 1 1 41 41 ASP H H 41 8.184 8.184 8.477 -0.293 18749
3685 1 11 . 1 1 42 42 ARG N N 42 119.745 119.745 125.121 -5.376 18749
3686 1 11 . 1 1 42 42 ARG HA H 42 4.171 4.171 4.297 -0.126 18749
3687 1 11 . 1 1 42 42 ARG C C 42 175.906 175.906 176.605 -0.699 18749
3688 1 11 . 1 1 42 42 ARG CA C 42 56.644 56.644 56.361 0.283 18749
3689 1 11 . 1 1 42 42 ARG CB C 42 30.788 30.788 30.936 -0.148 18749
3690 1 11 . 1 1 42 42 ARG H H 42 7.997 7.997 8.460 -0.463 18749
3691 1 11 . 1 1 43 43 ASP N N 43 119.314 119.314 123.371 -4.057 18749
3692 1 11 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.672 -0.169 18749
3693 1 11 . 1 1 43 43 ASP C C 43 175.599 175.599 176.361 -0.762 18749
3694 1 11 . 1 1 43 43 ASP CA C 43 54.368 54.368 54.859 -0.491 18749
3695 1 11 . 1 1 43 43 ASP CB C 43 41.071 41.071 41.827 -0.756 18749
3696 1 11 . 1 1 43 43 ASP H H 43 8.181 8.181 8.765 -0.584 18749
3697 1 11 . 1 1 44 44 TYR N N 44 120.178 120.178 124.448 -4.270 18749
3698 1 11 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.314 0.010 18749
3699 1 11 . 1 1 44 44 TYR C C 44 175.321 175.321 175.931 -0.610 18749
3700 1 11 . 1 1 44 44 TYR CA C 44 58.553 58.553 60.632 -2.079 18749
3701 1 11 . 1 1 44 44 TYR CB C 44 38.614 38.614 39.070 -0.456 18749
3702 1 11 . 1 1 44 44 TYR H H 44 7.806 7.806 8.473 -0.667 18749
3703 1 11 . 1 1 45 45 LYS N N 45 123.353 123.353 119.510 3.843 18749
3704 1 11 . 1 1 45 45 LYS CA C 45 55.745 55.745 57.365 -1.620 18749
3705 1 11 . 1 1 45 45 LYS CB C 45 33.789 33.789 32.807 0.982 18749
3706 1 11 . 1 1 45 45 LYS H H 45 7.731 7.731 8.334 -0.603 18749
3707 1 11 . 1 1 47 47 CYS N N 47 125.060 125.060 118.811 6.249 18749
3708 1 11 . 1 1 47 47 CYS H H 47 8.811 8.811 8.098 0.713 18749
3709 1 11 . 1 1 48 48 GLU C C 48 178.473 178.473 175.042 3.431 18749
3710 1 11 . 1 1 49 49 SER N N 49 120.359 120.359 119.686 0.673 18749
3711 1 11 . 1 1 49 49 SER C C 49 172.276 172.276 173.333 -1.057 18749
3712 1 11 . 1 1 49 49 SER CA C 49 61.125 61.125 58.132 2.993 18749
3713 1 11 . 1 1 49 49 SER CB C 49 63.224 63.224 64.229 -1.005 18749
3714 1 11 . 1 1 49 49 SER H H 49 8.737 8.737 8.275 0.462 18749
3715 1 11 . 1 1 50 50 TYR N N 50 110.556 110.556 128.292 -17.736 18749
3716 1 11 . 1 1 50 50 TYR C C 50 175.624 175.624 175.301 0.323 18749
3717 1 11 . 1 1 50 50 TYR CA C 50 59.205 59.205 59.998 -0.793 18749
3718 1 11 . 1 1 50 50 TYR CB C 50 38.197 38.197 39.522 -1.325 18749
3719 1 11 . 1 1 50 50 TYR H H 50 6.326 6.326 8.840 -2.514 18749
3720 1 11 . 1 1 51 51 HIS N N 51 119.871 119.871 115.587 4.284 18749
3721 1 11 . 1 1 51 51 HIS HA H 51 3.757 3.757 4.624 -0.867 18749
3722 1 11 . 1 1 51 51 HIS C C 51 176.588 176.588 173.795 2.793 18749
3723 1 11 . 1 1 51 51 HIS CA C 51 59.323 59.323 56.335 2.988 18749
3724 1 11 . 1 1 51 51 HIS CB C 51 27.514 27.514 31.780 -4.266 18749
3725 1 11 . 1 1 51 51 HIS H H 51 5.890 5.890 7.990 -2.100 18749
3726 1 11 . 1 1 52 52 LYS N N 52 122.505 122.505 128.122 -5.617 18749
3727 1 11 . 1 1 52 52 LYS C C 52 178.958 178.958 176.009 2.949 18749
3728 1 11 . 1 1 52 52 LYS CA C 52 58.922 58.922 56.968 1.954 18749
3729 1 11 . 1 1 52 52 LYS CB C 52 31.291 31.291 30.833 0.458 18749
3730 1 11 . 1 1 52 52 LYS H H 52 7.660 7.660 8.817 -1.157 18749
3731 1 11 . 1 1 53 53 CYS N N 53 117.268 117.268 120.441 -3.173 18749
3732 1 11 . 1 1 53 53 CYS C C 53 179.241 179.241 175.585 3.656 18749
3733 1 11 . 1 1 53 53 CYS CA C 53 64.802 64.802 62.143 2.659 18749
3734 1 11 . 1 1 53 53 CYS CB C 53 30.906 30.906 28.594 2.312 18749
3735 1 11 . 1 1 53 53 CYS H H 53 8.256 8.256 8.578 -0.322 18749
3736 1 11 . 1 1 54 54 SER N N 54 111.716 111.716 116.200 -4.484 18749
3737 1 11 . 1 1 54 54 SER HA H 54 3.839 3.839 4.521 -0.682 18749
3738 1 11 . 1 1 54 54 SER C C 54 175.922 175.922 173.694 2.228 18749
3739 1 11 . 1 1 54 54 SER CA C 54 60.263 60.263 58.018 2.245 18749
3740 1 11 . 1 1 54 54 SER CB C 54 64.120 64.120 62.329 1.791 18749
3741 1 11 . 1 1 54 54 SER H H 54 7.671 7.671 8.356 -0.685 18749
3742 1 11 . 1 1 55 55 ASP N N 55 119.056 119.056 124.622 -5.566 18749
3743 1 11 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.277 0.018 18749
3744 1 11 . 1 1 55 55 ASP C C 55 178.101 178.101 177.598 0.503 18749
3745 1 11 . 1 1 55 55 ASP CA C 55 57.387 57.387 56.685 0.702 18749
3746 1 11 . 1 1 55 55 ASP CB C 55 40.315 40.315 40.632 -0.317 18749
3747 1 11 . 1 1 55 55 ASP H H 55 7.438 7.438 8.134 -0.696 18749
3748 1 11 . 1 1 56 56 LEU N N 56 118.324 118.324 118.357 -0.033 18749
3749 1 11 . 1 1 56 56 LEU HA H 56 4.168 4.168 4.240 -0.072 18749
3750 1 11 . 1 1 56 56 LEU C C 56 176.250 176.250 177.430 -1.180 18749
3751 1 11 . 1 1 56 56 LEU CA C 56 55.333 55.333 55.902 -0.569 18749
3752 1 11 . 1 1 56 56 LEU CB C 56 43.173 43.173 42.114 1.060 18749
3753 1 11 . 1 1 56 56 LEU H H 56 7.565 7.565 7.609 -0.044 18749
3754 1 11 . 1 1 57 57 CYS N N 57 124.095 124.095 119.046 5.049 18749
3755 1 11 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.590 -0.335 18749
3756 1 11 . 1 1 57 57 CYS C C 57 177.371 177.371 175.335 2.036 18749
3757 1 11 . 1 1 57 57 CYS CA C 57 59.255 59.255 57.941 1.314 18749
3758 1 11 . 1 1 57 57 CYS CB C 57 30.128 30.128 26.991 3.137 18749
3759 1 11 . 1 1 57 57 CYS H H 57 7.265 7.265 7.854 -0.589 18749
3760 1 11 . 1 1 58 58 GLN N N 58 131.839 131.839 128.550 3.289 18749
3761 1 11 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.130 -0.207 18749
3762 1 11 . 1 1 58 58 GLN C C 58 178.435 178.435 177.429 1.006 18749
3763 1 11 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.298 0.990 18749
3764 1 11 . 1 1 58 58 GLN CB C 58 28.195 28.195 28.499 -0.304 18749
3765 1 11 . 1 1 58 58 GLN H H 58 9.451 9.451 9.015 0.436 18749
3766 1 11 . 1 1 59 59 TYR N N 59 124.026 124.026 120.260 3.766 18749
3767 1 11 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.558 -0.129 18749
3768 1 11 . 1 1 59 59 TYR C C 59 178.722 178.722 176.965 1.757 18749
3769 1 11 . 1 1 59 59 TYR CA C 59 60.295 60.295 61.358 -1.063 18749
3770 1 11 . 1 1 59 59 TYR CB C 59 38.591 38.591 38.834 -0.243 18749
3771 1 11 . 1 1 59 59 TYR H H 59 8.699 8.699 8.133 0.566 18749
3772 1 11 . 1 1 60 60 CYS N N 60 122.268 122.268 117.020 5.248 18749
3773 1 11 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.687 -0.370 18749
3774 1 11 . 1 1 60 60 CYS C C 60 176.011 176.011 176.504 -0.493 18749
3775 1 11 . 1 1 60 60 CYS CA C 60 64.499 64.499 61.194 3.305 18749
3776 1 11 . 1 1 60 60 CYS CB C 60 30.203 30.203 26.049 4.154 18749
3777 1 11 . 1 1 60 60 CYS H H 60 8.432 8.432 7.896 0.536 18749
3778 1 11 . 1 1 61 61 ARG N N 61 116.449 116.449 117.902 -1.453 18749
3779 1 11 . 1 1 61 61 ARG HA H 61 3.895 3.895 4.046 -0.151 18749
3780 1 11 . 1 1 61 61 ARG C C 61 176.965 176.965 178.123 -1.158 18749
3781 1 11 . 1 1 61 61 ARG CA C 61 58.336 58.336 59.356 -1.020 18749
3782 1 11 . 1 1 61 61 ARG CB C 61 29.771 29.771 30.076 -0.305 18749
3783 1 11 . 1 1 61 61 ARG H H 61 7.265 7.265 7.652 -0.387 18749
3784 1 11 . 1 1 62 62 TYR N N 62 117.341 117.341 115.777 1.564 18749
3785 1 11 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.436 0.033 18749
3786 1 11 . 1 1 62 62 TYR C C 62 175.562 175.562 177.017 -1.455 18749
3787 1 11 . 1 1 62 62 TYR CA C 62 58.566 58.566 60.123 -1.557 18749
3788 1 11 . 1 1 62 62 TYR CB C 62 39.182 39.182 39.569 -0.387 18749
3789 1 11 . 1 1 62 62 TYR H H 62 7.259 7.259 7.648 -0.389 18749
3790 1 11 . 1 1 63 63 GLN N N 63 121.663 121.663 117.851 3.812 18749
3791 1 11 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.562 -0.352 18749
3792 1 11 . 1 1 63 63 GLN C C 63 173.076 173.076 174.962 -1.886 18749
3793 1 11 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.763 -0.271 18749
3794 1 11 . 1 1 63 63 GLN CB C 63 29.401 29.401 31.695 -2.294 18749
3795 1 11 . 1 1 63 63 GLN H H 63 7.856 7.856 7.812 0.044 18749
3796 1 11 . 1 1 64 64 LYS N N 64 127.668 127.668 125.535 2.133 18749
3797 1 11 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.149 0.152 18749
3798 1 11 . 1 1 64 64 LYS C C 64 177.301 177.301 176.051 1.250 18749
3799 1 11 . 1 1 64 64 LYS CA C 64 58.182 58.182 57.123 1.059 18749
3800 1 11 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.320 0.194 18749
3801 1 11 . 1 1 64 64 LYS H H 64 8.204 8.204 8.693 -0.489 18749
3802 1 11 . 1 1 65 65 ASP N N 65 131.040 131.040 123.634 7.406 18749
3803 1 11 . 1 1 65 65 ASP C C 65 174.529 174.529 177.019 -2.490 18749
3804 1 11 . 1 1 65 65 ASP CA C 65 53.232 53.232 53.988 -0.756 18749
3805 1 11 . 1 1 65 65 ASP CB C 65 41.222 41.222 40.938 0.284 18749
3806 1 11 . 1 1 65 65 ASP H H 65 8.677 8.677 8.432 0.245 18749
3807 1 11 . 1 1 66 66 LEU N N 66 125.688 125.688 121.030 4.658 18749
3808 1 11 . 1 1 66 66 LEU HA H 66 4.088 4.088 4.044 0.044 18749
3809 1 11 . 1 1 66 66 LEU C C 66 178.676 178.676 178.251 0.425 18749
3810 1 11 . 1 1 66 66 LEU CA C 66 57.836 57.836 56.570 1.266 18749
3811 1 11 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.372 1.824 18749
3812 1 11 . 1 1 66 66 LEU H H 66 8.733 8.733 8.068 0.665 18749
3813 1 11 . 1 1 67 67 ALA N N 67 119.916 119.916 123.160 -3.244 18749
3814 1 11 . 1 1 67 67 ALA C C 67 180.513 180.513 178.929 1.584 18749
3815 1 11 . 1 1 67 67 ALA CA C 67 55.151 55.151 54.703 0.448 18749
3816 1 11 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.625 -0.507 18749
3817 1 11 . 1 1 67 67 ALA H H 67 8.076 8.076 7.882 0.194 18749
3818 1 11 . 1 1 68 68 ILE N N 68 119.735 119.735 114.520 5.215 18749
3819 1 11 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.620 0.039 18749
3820 1 11 . 1 1 68 68 ILE C C 68 177.647 177.647 176.976 0.671 18749
3821 1 11 . 1 1 68 68 ILE CA C 68 63.267 63.267 63.917 -0.650 18749
3822 1 11 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.364 -0.026 18749
3823 1 11 . 1 1 68 68 ILE H H 68 7.342 7.342 7.197 0.145 18749
3824 1 11 . 1 1 69 69 HIS N N 69 119.542 119.542 119.080 0.462 18749
3825 1 11 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.143 0.160 18749
3826 1 11 . 1 1 69 69 HIS CA C 69 59.224 59.224 58.406 0.818 18749
3827 1 11 . 1 1 69 69 HIS CB C 69 28.569 28.569 30.224 -1.655 18749
3828 1 11 . 1 1 69 69 HIS H H 69 6.608 6.608 7.881 -1.273 18749
3829 1 11 . 1 1 84 84 GLY C C 84 174.391 174.391 174.064 0.327 18749
3830 1 11 . 1 1 84 84 GLY CA C 84 45.472 45.472 44.769 0.703 18749
3831 1 11 . 1 1 85 85 THR N N 85 112.734 112.734 112.746 -0.012 18749
3832 1 11 . 1 1 85 85 THR C C 85 175.056 175.056 175.968 -0.912 18749
3833 1 11 . 1 1 85 85 THR CA C 85 61.980 61.980 63.997 -2.017 18749
3834 1 11 . 1 1 85 85 THR CB C 85 69.868 69.868 69.290 0.578 18749
3835 1 11 . 1 1 85 85 THR H H 85 8.012 8.012 8.192 -0.180 18749
3836 1 11 . 1 1 86 86 GLY N N 86 111.173 111.173 110.288 0.885 18749
3837 1 11 . 1 1 86 86 GLY C C 86 172.909 172.909 174.579 -1.670 18749
3838 1 11 . 1 1 86 86 GLY CA C 86 45.268 45.268 45.305 -0.037 18749
3839 1 11 . 1 1 86 86 GLY H H 86 8.276 8.276 8.372 -0.096 18749
3840 1 12 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.413 -0.022 18749
3841 1 12 . 1 1 4 4 PRO C C 4 176.097 176.097 175.933 0.164 18749
3842 1 12 . 1 1 4 4 PRO CA C 4 62.965 62.965 62.844 0.120 18749
3843 1 12 . 1 1 4 4 PRO CB C 4 31.902 31.902 32.170 -0.268 18749
3844 1 12 . 1 1 5 5 VAL N N 5 121.993 121.993 123.380 -1.387 18749
3845 1 12 . 1 1 5 5 VAL HA H 5 4.341 4.341 4.137 0.204 18749
3846 1 12 . 1 1 5 5 VAL CA C 5 59.763 59.763 59.803 -0.040 18749
3847 1 12 . 1 1 5 5 VAL CB C 5 32.567 32.567 31.051 1.516 18749
3848 1 12 . 1 1 5 5 VAL H H 5 8.149 8.149 8.349 -0.200 18749
3849 1 12 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.234 0.022 18749
3850 1 12 . 1 1 6 6 PRO C C 6 176.167 176.167 176.591 -0.424 18749
3851 1 12 . 1 1 6 6 PRO CA C 6 63.138 63.138 64.202 -1.064 18749
3852 1 12 . 1 1 6 6 PRO CB C 6 31.877 31.877 31.945 -0.068 18749
3853 1 12 . 1 1 7 7 TYR N N 7 121.107 121.107 119.963 1.144 18749
3854 1 12 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.383 0.060 18749
3855 1 12 . 1 1 7 7 TYR CA C 7 55.602 55.602 56.542 -0.940 18749
3856 1 12 . 1 1 7 7 TYR CB C 7 38.212 38.212 37.660 0.552 18749
3857 1 12 . 1 1 7 7 TYR H H 7 7.945 7.945 7.924 0.021 18749
3858 1 12 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.419 -0.131 18749
3859 1 12 . 1 1 8 8 PRO C C 8 176.122 176.122 175.843 0.279 18749
3860 1 12 . 1 1 8 8 PRO CA C 8 62.983 62.983 62.571 0.412 18749
3861 1 12 . 1 1 8 8 PRO CB C 8 31.913 31.913 32.463 -0.550 18749
3862 1 12 . 1 1 9 9 ASP N N 9 122.332 122.332 117.876 4.456 18749
3863 1 12 . 1 1 9 9 ASP HA H 9 4.466 4.466 4.971 -0.505 18749
3864 1 12 . 1 1 9 9 ASP CA C 9 52.317 52.317 53.159 -0.842 18749
3865 1 12 . 1 1 9 9 ASP CB C 9 41.371 41.371 41.613 -0.242 18749
3866 1 12 . 1 1 9 9 ASP H H 9 8.204 8.204 8.415 -0.211 18749
3867 1 12 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.623 -0.314 18749
3868 1 12 . 1 1 10 10 PRO C C 10 177.003 177.003 177.767 -0.764 18749
3869 1 12 . 1 1 10 10 PRO CA C 10 63.635 63.635 63.813 -0.178 18749
3870 1 12 . 1 1 10 10 PRO CB C 10 32.207 32.207 32.037 0.170 18749
3871 1 12 . 1 1 11 11 LEU N N 11 120.566 120.566 118.465 2.101 18749
3872 1 12 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.190 0.031 18749
3873 1 12 . 1 1 11 11 LEU C C 11 177.277 177.277 177.013 0.264 18749
3874 1 12 . 1 1 11 11 LEU CA C 11 54.938 54.938 55.520 -0.582 18749
3875 1 12 . 1 1 11 11 LEU CB C 11 41.908 41.908 42.181 -0.273 18749
3876 1 12 . 1 1 11 11 LEU H H 11 8.295 8.295 7.550 0.745 18749
3877 1 12 . 1 1 12 12 GLU N N 12 122.415 122.415 116.006 6.409 18749
3878 1 12 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.093 0.291 18749
3879 1 12 . 1 1 12 12 GLU CA C 12 54.384 54.384 56.286 -1.902 18749
3880 1 12 . 1 1 12 12 GLU CB C 12 29.988 29.988 28.038 1.950 18749
3881 1 12 . 1 1 12 12 GLU H H 12 7.857 7.857 8.058 -0.201 18749
3882 1 12 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.419 -0.170 18749
3883 1 12 . 1 1 13 13 PRO C C 13 177.132 177.132 177.890 -0.758 18749
3884 1 12 . 1 1 13 13 PRO CA C 13 63.458 63.458 63.014 0.444 18749
3885 1 12 . 1 1 13 13 PRO CB C 13 31.862 31.862 32.323 -0.461 18749
3886 1 12 . 1 1 14 14 ARG N N 14 121.214 121.214 123.363 -2.149 18749
3887 1 12 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.069 0.090 18749
3888 1 12 . 1 1 14 14 ARG CA C 14 56.162 56.162 58.251 -2.089 18749
3889 1 12 . 1 1 14 14 ARG CB C 14 30.632 30.632 30.083 0.549 18749
3890 1 12 . 1 1 14 14 ARG H H 14 8.337 8.337 8.624 -0.287 18749
3891 1 12 . 1 1 15 15 GLY N N 15 109.686 109.686 104.757 4.929 18749
3892 1 12 . 1 1 15 15 GLY C C 15 174.130 174.130 174.390 -0.260 18749
3893 1 12 . 1 1 15 15 GLY CA C 15 45.312 45.312 44.900 0.412 18749
3894 1 12 . 1 1 15 15 GLY H H 15 8.280 8.280 8.052 0.228 18749
3895 1 12 . 1 1 16 16 GLY N N 16 108.011 108.011 108.439 -0.428 18749
3896 1 12 . 1 1 16 16 GLY C C 16 172.056 172.056 175.020 -2.964 18749
3897 1 12 . 1 1 16 16 GLY CA C 16 44.895 44.895 44.632 0.263 18749
3898 1 12 . 1 1 16 16 GLY H H 16 7.764 7.764 7.419 0.345 18749
3899 1 12 . 1 1 17 17 LYS N N 17 117.049 117.049 125.171 -8.122 18749
3900 1 12 . 1 1 17 17 LYS HA H 17 4.135 4.135 4.117 0.018 18749
3901 1 12 . 1 1 17 17 LYS C C 17 175.259 175.259 177.126 -1.867 18749
3902 1 12 . 1 1 17 17 LYS CA C 17 53.914 53.914 58.796 -4.882 18749
3903 1 12 . 1 1 17 17 LYS CB C 17 35.219 35.219 32.649 2.570 18749
3904 1 12 . 1 1 17 17 LYS H H 17 7.347 7.347 8.982 -1.635 18749
3905 1 12 . 1 1 18 18 HIS N N 18 120.426 120.426 116.625 3.801 18749
3906 1 12 . 1 1 18 18 HIS C C 18 175.419 175.419 174.919 0.500 18749
3907 1 12 . 1 1 18 18 HIS CA C 18 57.086 57.086 58.568 -1.482 18749
3908 1 12 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.608 -0.116 18749
3909 1 12 . 1 1 19 19 ILE N N 19 126.193 126.193 116.958 9.235 18749
3910 1 12 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.439 0.015 18749
3911 1 12 . 1 1 19 19 ILE C C 19 175.138 175.138 175.075 0.063 18749
3912 1 12 . 1 1 19 19 ILE CA C 19 59.189 59.189 59.863 -0.674 18749
3913 1 12 . 1 1 19 19 ILE CB C 19 41.816 41.816 38.395 3.421 18749
3914 1 12 . 1 1 19 19 ILE H H 19 8.180 8.180 7.888 0.292 18749
3915 1 12 . 1 1 20 20 CYS N N 20 127.805 127.805 127.676 0.129 18749
3916 1 12 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.581 0.334 18749
3917 1 12 . 1 1 20 20 CYS C C 20 174.996 174.996 176.622 -1.626 18749
3918 1 12 . 1 1 20 20 CYS CA C 20 57.370 57.370 58.492 -1.122 18749
3919 1 12 . 1 1 20 20 CYS CB C 20 32.008 32.008 29.338 2.670 18749
3920 1 12 . 1 1 20 20 CYS H H 20 8.382 8.382 8.629 -0.247 18749
3921 1 12 . 1 1 21 21 ALA N N 21 135.406 135.406 130.575 4.831 18749
3922 1 12 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.159 0.003 18749
3923 1 12 . 1 1 21 21 ALA C C 21 177.885 177.885 177.428 0.457 18749
3924 1 12 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.487 0.005 18749
3925 1 12 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.737 0.888 18749
3926 1 12 . 1 1 21 21 ALA H H 21 8.742 8.742 8.746 -0.004 18749
3927 1 12 . 1 1 22 22 ILE N N 22 119.063 119.063 114.889 4.174 18749
3928 1 12 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.233 -0.372 18749
3929 1 12 . 1 1 22 22 ILE C C 22 176.914 176.914 176.906 0.008 18749
3930 1 12 . 1 1 22 22 ILE CA C 22 63.218 63.218 62.938 0.280 18749
3931 1 12 . 1 1 22 22 ILE CB C 22 37.371 37.371 39.237 -1.866 18749
3932 1 12 . 1 1 22 22 ILE H H 22 8.150 8.150 7.434 0.716 18749
3933 1 12 . 1 1 23 23 CYS N N 23 114.362 114.362 118.289 -3.927 18749
3934 1 12 . 1 1 23 23 CYS C C 23 176.216 176.216 175.901 0.315 18749
3935 1 12 . 1 1 23 23 CYS CA C 23 57.878 57.878 59.044 -1.166 18749
3936 1 12 . 1 1 23 23 CYS CB C 23 30.456 30.456 28.244 2.212 18749
3937 1 12 . 1 1 23 23 CYS H H 23 7.238 7.238 7.902 -0.664 18749
3938 1 12 . 1 1 24 24 GLY N N 24 111.898 111.898 107.631 4.267 18749
3939 1 12 . 1 1 24 24 GLY C C 24 173.367 173.367 174.338 -0.971 18749
3940 1 12 . 1 1 24 24 GLY CA C 24 46.222 46.222 46.504 -0.282 18749
3941 1 12 . 1 1 24 24 GLY H H 24 7.566 7.566 8.649 -1.083 18749
3942 1 12 . 1 1 25 25 ASN N N 25 117.684 117.684 115.030 2.654 18749
3943 1 12 . 1 1 25 25 ASN HA H 25 4.763 4.763 4.908 -0.145 18749
3944 1 12 . 1 1 25 25 ASN C C 25 174.631 174.631 174.787 -0.156 18749
3945 1 12 . 1 1 25 25 ASN CA C 25 51.901 51.901 53.105 -1.204 18749
3946 1 12 . 1 1 25 25 ASN CB C 25 40.666 40.666 40.182 0.484 18749
3947 1 12 . 1 1 25 25 ASN H H 25 7.781 7.781 8.480 -0.699 18749
3948 1 12 . 1 1 26 26 ASN N N 26 118.294 118.294 118.530 -0.236 18749
3949 1 12 . 1 1 26 26 ASN HA H 26 4.570 4.570 4.625 -0.055 18749
3950 1 12 . 1 1 26 26 ASN C C 26 175.502 175.502 176.958 -1.456 18749
3951 1 12 . 1 1 26 26 ASN CA C 26 53.980 53.980 55.728 -1.748 18749
3952 1 12 . 1 1 26 26 ASN CB C 26 38.066 38.066 38.407 -0.341 18749
3953 1 12 . 1 1 26 26 ASN H H 26 8.562 8.562 8.483 0.079 18749
3954 1 12 . 1 1 27 27 ALA N N 27 126.538 126.538 121.698 4.840 18749
3955 1 12 . 1 1 27 27 ALA C C 27 177.920 177.920 178.242 -0.322 18749
3956 1 12 . 1 1 27 27 ALA CA C 27 53.567 53.567 54.462 -0.894 18749
3957 1 12 . 1 1 27 27 ALA CB C 27 18.852 18.852 18.348 0.504 18749
3958 1 12 . 1 1 27 27 ALA H H 27 8.217 8.217 8.288 -0.071 18749
3959 1 12 . 1 1 28 28 GLU N N 28 112.911 112.911 115.911 -3.000 18749
3960 1 12 . 1 1 28 28 GLU HA H 28 4.099 4.099 3.992 0.107 18749
3961 1 12 . 1 1 28 28 GLU C C 28 177.423 177.423 176.179 1.244 18749
3962 1 12 . 1 1 28 28 GLU CA C 28 57.783 57.783 58.541 -0.758 18749
3963 1 12 . 1 1 28 28 GLU CB C 28 30.926 30.926 29.916 1.010 18749
3964 1 12 . 1 1 28 28 GLU H H 28 8.608 8.608 8.745 -0.137 18749
3965 1 12 . 1 1 29 29 ASP N N 29 116.209 116.209 115.643 0.566 18749
3966 1 12 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.451 -0.017 18749
3967 1 12 . 1 1 29 29 ASP C C 29 174.486 174.486 175.364 -0.878 18749
3968 1 12 . 1 1 29 29 ASP CA C 29 55.349 55.349 53.695 1.654 18749
3969 1 12 . 1 1 29 29 ASP CB C 29 42.596 42.596 41.443 1.153 18749
3970 1 12 . 1 1 29 29 ASP H H 29 7.272 7.272 7.775 -0.503 18749
3971 1 12 . 1 1 30 30 TYR N N 30 116.344 116.344 119.250 -2.906 18749
3972 1 12 . 1 1 30 30 TYR CA C 30 57.018 57.018 57.423 -0.405 18749
3973 1 12 . 1 1 30 30 TYR CB C 30 43.459 43.459 40.472 2.987 18749
3974 1 12 . 1 1 30 30 TYR H H 30 7.281 7.281 8.094 -0.813 18749
3975 1 12 . 1 1 31 31 LYS C C 31 177.018 177.018 175.073 1.945 18749
3976 1 12 . 1 1 32 32 HIS N N 32 116.170 116.170 118.191 -2.021 18749
3977 1 12 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.673 -0.871 18749
3978 1 12 . 1 1 32 32 HIS C C 32 173.979 173.979 176.709 -2.730 18749
3979 1 12 . 1 1 32 32 HIS CA C 32 55.136 55.136 57.861 -2.725 18749
3980 1 12 . 1 1 32 32 HIS CB C 32 33.128 33.128 31.209 1.919 18749
3981 1 12 . 1 1 32 32 HIS H H 32 7.691 7.691 8.317 -0.626 18749
3982 1 12 . 1 1 33 33 THR N N 33 108.605 108.605 110.984 -2.379 18749
3983 1 12 . 1 1 33 33 THR HA H 33 4.424 4.424 4.295 0.129 18749
3984 1 12 . 1 1 33 33 THR C C 33 175.107 175.107 175.658 -0.551 18749
3985 1 12 . 1 1 33 33 THR CA C 33 60.218 60.218 63.189 -2.971 18749
3986 1 12 . 1 1 33 33 THR CB C 33 69.476 69.476 68.926 0.550 18749
3987 1 12 . 1 1 33 33 THR H H 33 8.051 8.051 8.244 -0.193 18749
3988 1 12 . 1 1 34 34 ASP N N 34 121.404 121.404 121.238 0.166 18749
3989 1 12 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.509 0.081 18749
3990 1 12 . 1 1 34 34 ASP C C 34 175.334 175.334 176.892 -1.558 18749
3991 1 12 . 1 1 34 34 ASP CA C 34 53.564 53.564 56.816 -3.252 18749
3992 1 12 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.386 0.034 18749
3993 1 12 . 1 1 34 34 ASP H H 34 7.973 7.973 8.292 -0.319 18749
3994 1 12 . 1 1 35 35 MET N N 35 119.898 119.898 116.441 3.457 18749
3995 1 12 . 1 1 35 35 MET HA H 35 4.398 4.398 4.313 0.085 18749
3996 1 12 . 1 1 35 35 MET C C 35 174.846 174.846 176.664 -1.818 18749
3997 1 12 . 1 1 35 35 MET CA C 35 55.631 55.631 56.693 -1.062 18749
3998 1 12 . 1 1 35 35 MET CB C 35 33.382 33.382 32.880 0.501 18749
3999 1 12 . 1 1 35 35 MET H H 35 7.585 7.585 7.569 0.016 18749
4000 1 12 . 1 1 36 36 ASP N N 36 123.631 123.631 119.718 3.913 18749
4001 1 12 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.630 -0.144 18749
4002 1 12 . 1 1 36 36 ASP C C 36 176.456 176.456 175.428 1.028 18749
4003 1 12 . 1 1 36 36 ASP CA C 36 54.279 54.279 53.971 0.307 18749
4004 1 12 . 1 1 36 36 ASP CB C 36 41.156 41.156 41.197 -0.041 18749
4005 1 12 . 1 1 36 36 ASP H H 36 8.360 8.360 7.609 0.751 18749
4006 1 12 . 1 1 37 37 LEU N N 37 123.812 123.812 126.329 -2.517 18749
4007 1 12 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.516 -0.213 18749
4008 1 12 . 1 1 37 37 LEU C C 37 177.554 177.554 176.829 0.725 18749
4009 1 12 . 1 1 37 37 LEU CA C 37 55.317 55.317 55.261 0.056 18749
4010 1 12 . 1 1 37 37 LEU CB C 37 41.945 41.945 42.411 -0.466 18749
4011 1 12 . 1 1 37 37 LEU H H 37 8.224 8.224 8.504 -0.280 18749
4012 1 12 . 1 1 38 38 THR N N 38 113.723 113.723 117.998 -4.275 18749
4013 1 12 . 1 1 38 38 THR HA H 38 4.153 4.153 4.515 -0.362 18749
4014 1 12 . 1 1 38 38 THR C C 38 174.786 174.786 172.520 2.266 18749
4015 1 12 . 1 1 38 38 THR CA C 38 62.673 62.673 61.539 1.134 18749
4016 1 12 . 1 1 38 38 THR CB C 38 69.792 69.792 70.190 -0.398 18749
4017 1 12 . 1 1 38 38 THR H H 38 8.321 8.321 8.438 -0.117 18749
4018 1 12 . 1 1 39 39 TYR N N 39 121.098 121.098 123.584 -2.486 18749
4019 1 12 . 1 1 39 39 TYR C C 39 175.992 175.992 173.769 2.223 18749
4020 1 12 . 1 1 39 39 TYR CA C 39 58.083 58.083 58.528 -0.445 18749
4021 1 12 . 1 1 39 39 TYR CB C 39 38.309 38.309 39.841 -1.532 18749
4022 1 12 . 1 1 39 39 TYR H H 39 7.920 7.920 8.483 -0.563 18749
4023 1 12 . 1 1 40 40 THR N N 40 113.380 113.380 121.220 -7.840 18749
4024 1 12 . 1 1 40 40 THR C C 40 174.356 174.356 172.877 1.479 18749
4025 1 12 . 1 1 40 40 THR CA C 40 61.801 61.801 61.264 0.537 18749
4026 1 12 . 1 1 40 40 THR CB C 40 69.965 69.965 70.147 -0.182 18749
4027 1 12 . 1 1 40 40 THR H H 40 7.885 7.885 7.721 0.164 18749
4028 1 12 . 1 1 41 41 ASP N N 41 121.537 121.537 122.968 -1.431 18749
4029 1 12 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.510 -0.042 18749
4030 1 12 . 1 1 41 41 ASP C C 41 176.338 176.338 175.814 0.524 18749
4031 1 12 . 1 1 41 41 ASP CA C 41 54.674 54.674 53.515 1.159 18749
4032 1 12 . 1 1 41 41 ASP CB C 41 40.996 40.996 41.288 -0.292 18749
4033 1 12 . 1 1 41 41 ASP H H 41 8.184 8.184 8.253 -0.069 18749
4034 1 12 . 1 1 42 42 ARG N N 42 119.745 119.745 123.734 -3.989 18749
4035 1 12 . 1 1 42 42 ARG HA H 42 4.171 4.171 4.254 -0.083 18749
4036 1 12 . 1 1 42 42 ARG C C 42 175.906 175.906 175.762 0.144 18749
4037 1 12 . 1 1 42 42 ARG CA C 42 56.644 56.644 55.834 0.811 18749
4038 1 12 . 1 1 42 42 ARG CB C 42 30.788 30.788 30.874 -0.086 18749
4039 1 12 . 1 1 42 42 ARG H H 42 7.997 7.997 8.264 -0.267 18749
4040 1 12 . 1 1 43 43 ASP N N 43 119.314 119.314 121.415 -2.101 18749
4041 1 12 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.555 -0.052 18749
4042 1 12 . 1 1 43 43 ASP C C 43 175.599 175.599 176.087 -0.488 18749
4043 1 12 . 1 1 43 43 ASP CA C 43 54.368 54.368 54.264 0.104 18749
4044 1 12 . 1 1 43 43 ASP CB C 43 41.071 41.071 41.539 -0.468 18749
4045 1 12 . 1 1 43 43 ASP H H 43 8.181 8.181 8.447 -0.266 18749
4046 1 12 . 1 1 44 44 TYR N N 44 120.178 120.178 122.026 -1.848 18749
4047 1 12 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.196 0.128 18749
4048 1 12 . 1 1 44 44 TYR C C 44 175.321 175.321 176.330 -1.009 18749
4049 1 12 . 1 1 44 44 TYR CA C 44 58.553 58.553 60.086 -1.533 18749
4050 1 12 . 1 1 44 44 TYR CB C 44 38.614 38.614 38.616 -0.002 18749
4051 1 12 . 1 1 44 44 TYR H H 44 7.806 7.806 8.350 -0.544 18749
4052 1 12 . 1 1 45 45 LYS N N 45 123.353 123.353 121.178 2.175 18749
4053 1 12 . 1 1 45 45 LYS CA C 45 55.745 55.745 56.847 -1.102 18749
4054 1 12 . 1 1 45 45 LYS CB C 45 33.789 33.789 32.344 1.444 18749
4055 1 12 . 1 1 45 45 LYS H H 45 7.731 7.731 7.913 -0.182 18749
4056 1 12 . 1 1 47 47 CYS N N 47 125.060 125.060 120.041 5.019 18749
4057 1 12 . 1 1 47 47 CYS H H 47 8.811 8.811 8.703 0.108 18749
4058 1 12 . 1 1 48 48 GLU C C 48 178.473 178.473 174.855 3.618 18749
4059 1 12 . 1 1 49 49 SER N N 49 120.359 120.359 115.599 4.760 18749
4060 1 12 . 1 1 49 49 SER C C 49 172.276 172.276 172.545 -0.269 18749
4061 1 12 . 1 1 49 49 SER CA C 49 61.125 61.125 58.007 3.118 18749
4062 1 12 . 1 1 49 49 SER CB C 49 63.224 63.224 64.309 -1.085 18749
4063 1 12 . 1 1 49 49 SER H H 49 8.737 8.737 8.187 0.550 18749
4064 1 12 . 1 1 50 50 TYR N N 50 110.556 110.556 120.606 -10.050 18749
4065 1 12 . 1 1 50 50 TYR C C 50 175.624 175.624 174.232 1.392 18749
4066 1 12 . 1 1 50 50 TYR CA C 50 59.205 59.205 58.294 0.911 18749
4067 1 12 . 1 1 50 50 TYR CB C 50 38.197 38.197 41.469 -3.272 18749
4068 1 12 . 1 1 50 50 TYR H H 50 6.326 6.326 8.380 -2.054 18749
4069 1 12 . 1 1 51 51 HIS N N 51 119.871 119.871 117.981 1.890 18749
4070 1 12 . 1 1 51 51 HIS HA H 51 3.757 3.757 4.738 -0.981 18749
4071 1 12 . 1 1 51 51 HIS C C 51 176.588 176.588 176.336 0.252 18749
4072 1 12 . 1 1 51 51 HIS CA C 51 59.323 59.323 56.113 3.210 18749
4073 1 12 . 1 1 51 51 HIS CB C 51 27.514 27.514 30.151 -2.638 18749
4074 1 12 . 1 1 51 51 HIS H H 51 5.890 5.890 8.687 -2.797 18749
4075 1 12 . 1 1 52 52 LYS N N 52 122.505 122.505 119.838 2.667 18749
4076 1 12 . 1 1 52 52 LYS C C 52 178.958 178.958 176.115 2.843 18749
4077 1 12 . 1 1 52 52 LYS CA C 52 58.922 58.922 58.494 0.428 18749
4078 1 12 . 1 1 52 52 LYS CB C 52 31.291 31.291 32.797 -1.506 18749
4079 1 12 . 1 1 52 52 LYS H H 52 7.660 7.660 8.513 -0.853 18749
4080 1 12 . 1 1 53 53 CYS N N 53 117.268 117.268 114.829 2.439 18749
4081 1 12 . 1 1 53 53 CYS C C 53 179.241 179.241 175.866 3.375 18749
4082 1 12 . 1 1 53 53 CYS CA C 53 64.802 64.802 56.442 8.360 18749
4083 1 12 . 1 1 53 53 CYS CB C 53 30.906 30.906 30.275 0.631 18749
4084 1 12 . 1 1 53 53 CYS H H 53 8.256 8.256 7.541 0.715 18749
4085 1 12 . 1 1 54 54 SER N N 54 111.716 111.716 116.569 -4.853 18749
4086 1 12 . 1 1 54 54 SER HA H 54 3.839 3.839 4.134 -0.295 18749
4087 1 12 . 1 1 54 54 SER C C 54 175.922 175.922 174.612 1.310 18749
4088 1 12 . 1 1 54 54 SER CA C 54 60.263 60.263 60.887 -0.624 18749
4089 1 12 . 1 1 54 54 SER CB C 54 64.120 64.120 62.894 1.226 18749
4090 1 12 . 1 1 54 54 SER H H 54 7.671 7.671 8.392 -0.721 18749
4091 1 12 . 1 1 55 55 ASP N N 55 119.056 119.056 117.974 1.082 18749
4092 1 12 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.297 -0.002 18749
4093 1 12 . 1 1 55 55 ASP C C 55 178.101 178.101 176.082 2.019 18749
4094 1 12 . 1 1 55 55 ASP CA C 55 57.387 57.387 55.893 1.494 18749
4095 1 12 . 1 1 55 55 ASP CB C 55 40.315 40.315 38.985 1.330 18749
4096 1 12 . 1 1 55 55 ASP H H 55 7.438 7.438 8.447 -1.009 18749
4097 1 12 . 1 1 56 56 LEU N N 56 118.324 118.324 118.354 -0.030 18749
4098 1 12 . 1 1 56 56 LEU HA H 56 4.168 4.168 4.097 0.071 18749
4099 1 12 . 1 1 56 56 LEU C C 56 176.250 176.250 177.621 -1.371 18749
4100 1 12 . 1 1 56 56 LEU CA C 56 55.333 55.333 56.551 -1.218 18749
4101 1 12 . 1 1 56 56 LEU CB C 56 43.173 43.173 42.343 0.831 18749
4102 1 12 . 1 1 56 56 LEU H H 56 7.565 7.565 7.511 0.054 18749
4103 1 12 . 1 1 57 57 CYS N N 57 124.095 124.095 117.476 6.619 18749
4104 1 12 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.680 -0.425 18749
4105 1 12 . 1 1 57 57 CYS C C 57 177.371 177.371 175.713 1.658 18749
4106 1 12 . 1 1 57 57 CYS CA C 57 59.255 59.255 57.649 1.606 18749
4107 1 12 . 1 1 57 57 CYS CB C 57 30.128 30.128 28.620 1.508 18749
4108 1 12 . 1 1 57 57 CYS H H 57 7.265 7.265 7.741 -0.476 18749
4109 1 12 . 1 1 58 58 GLN N N 58 131.839 131.839 128.027 3.812 18749
4110 1 12 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.120 -0.197 18749
4111 1 12 . 1 1 58 58 GLN C C 58 178.435 178.435 176.736 1.699 18749
4112 1 12 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.137 1.151 18749
4113 1 12 . 1 1 58 58 GLN CB C 58 28.195 28.195 28.564 -0.369 18749
4114 1 12 . 1 1 58 58 GLN H H 58 9.451 9.451 9.012 0.439 18749
4115 1 12 . 1 1 59 59 TYR N N 59 124.026 124.026 119.788 4.238 18749
4116 1 12 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.629 -0.200 18749
4117 1 12 . 1 1 59 59 TYR C C 59 178.722 178.722 176.701 2.021 18749
4118 1 12 . 1 1 59 59 TYR CA C 59 60.295 60.295 60.819 -0.525 18749
4119 1 12 . 1 1 59 59 TYR CB C 59 38.591 38.591 39.140 -0.549 18749
4120 1 12 . 1 1 59 59 TYR H H 59 8.699 8.699 8.086 0.613 18749
4121 1 12 . 1 1 60 60 CYS N N 60 122.268 122.268 116.865 5.403 18749
4122 1 12 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.590 -0.273 18749
4123 1 12 . 1 1 60 60 CYS C C 60 176.011 176.011 175.792 0.219 18749
4124 1 12 . 1 1 60 60 CYS CA C 60 64.499 64.499 60.726 3.773 18749
4125 1 12 . 1 1 60 60 CYS CB C 60 30.203 30.203 26.357 3.846 18749
4126 1 12 . 1 1 60 60 CYS H H 60 8.432 8.432 7.783 0.649 18749
4127 1 12 . 1 1 61 61 ARG N N 61 116.449 116.449 117.570 -1.121 18749
4128 1 12 . 1 1 61 61 ARG HA H 61 3.895 3.895 3.832 0.063 18749
4129 1 12 . 1 1 61 61 ARG C C 61 176.965 176.965 177.560 -0.595 18749
4130 1 12 . 1 1 61 61 ARG CA C 61 58.336 58.336 58.678 -0.342 18749
4131 1 12 . 1 1 61 61 ARG CB C 61 29.771 29.771 29.822 -0.051 18749
4132 1 12 . 1 1 61 61 ARG H H 61 7.265 7.265 7.923 -0.658 18749
4133 1 12 . 1 1 62 62 TYR N N 62 117.341 117.341 115.783 1.558 18749
4134 1 12 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.212 0.257 18749
4135 1 12 . 1 1 62 62 TYR C C 62 175.562 175.562 176.673 -1.111 18749
4136 1 12 . 1 1 62 62 TYR CA C 62 58.566 58.566 59.514 -0.948 18749
4137 1 12 . 1 1 62 62 TYR CB C 62 39.182 39.182 39.575 -0.393 18749
4138 1 12 . 1 1 62 62 TYR H H 62 7.259 7.259 7.326 -0.067 18749
4139 1 12 . 1 1 63 63 GLN N N 63 121.663 121.663 117.574 4.089 18749
4140 1 12 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.532 -0.322 18749
4141 1 12 . 1 1 63 63 GLN C C 63 173.076 173.076 175.065 -1.989 18749
4142 1 12 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.801 -0.309 18749
4143 1 12 . 1 1 63 63 GLN CB C 63 29.401 29.401 31.677 -2.276 18749
4144 1 12 . 1 1 63 63 GLN H H 63 7.856 7.856 7.640 0.216 18749
4145 1 12 . 1 1 64 64 LYS N N 64 127.668 127.668 125.478 2.190 18749
4146 1 12 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.077 0.224 18749
4147 1 12 . 1 1 64 64 LYS C C 64 177.301 177.301 176.071 1.230 18749
4148 1 12 . 1 1 64 64 LYS CA C 64 58.182 58.182 57.551 0.631 18749
4149 1 12 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.585 -0.071 18749
4150 1 12 . 1 1 64 64 LYS H H 64 8.204 8.204 8.636 -0.432 18749
4151 1 12 . 1 1 65 65 ASP N N 65 131.040 131.040 122.821 8.219 18749
4152 1 12 . 1 1 65 65 ASP C C 65 174.529 174.529 177.010 -2.481 18749
4153 1 12 . 1 1 65 65 ASP CA C 65 53.232 53.232 53.982 -0.750 18749
4154 1 12 . 1 1 65 65 ASP CB C 65 41.222 41.222 40.820 0.402 18749
4155 1 12 . 1 1 65 65 ASP H H 65 8.677 8.677 8.417 0.260 18749
4156 1 12 . 1 1 66 66 LEU N N 66 125.688 125.688 121.057 4.631 18749
4157 1 12 . 1 1 66 66 LEU HA H 66 4.088 4.088 4.008 0.080 18749
4158 1 12 . 1 1 66 66 LEU C C 66 178.676 178.676 177.605 1.071 18749
4159 1 12 . 1 1 66 66 LEU CA C 66 57.836 57.836 55.821 2.015 18749
4160 1 12 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.346 1.850 18749
4161 1 12 . 1 1 66 66 LEU H H 66 8.733 8.733 8.004 0.729 18749
4162 1 12 . 1 1 67 67 ALA N N 67 119.916 119.916 121.510 -1.594 18749
4163 1 12 . 1 1 67 67 ALA C C 67 180.513 180.513 178.604 1.909 18749
4164 1 12 . 1 1 67 67 ALA CA C 67 55.151 55.151 54.278 0.873 18749
4165 1 12 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.258 -0.140 18749
4166 1 12 . 1 1 67 67 ALA H H 67 8.076 8.076 7.713 0.363 18749
4167 1 12 . 1 1 68 68 ILE N N 68 119.735 119.735 114.720 5.015 18749
4168 1 12 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.784 -0.125 18749
4169 1 12 . 1 1 68 68 ILE C C 68 177.647 177.647 176.157 1.490 18749
4170 1 12 . 1 1 68 68 ILE CA C 68 63.267 63.267 63.197 0.070 18749
4171 1 12 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.918 -0.580 18749
4172 1 12 . 1 1 68 68 ILE H H 68 7.342 7.342 7.002 0.340 18749
4173 1 12 . 1 1 69 69 HIS N N 69 119.542 119.542 119.928 -0.386 18749
4174 1 12 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.422 -0.119 18749
4175 1 12 . 1 1 69 69 HIS CA C 69 59.224 59.224 56.840 2.384 18749
4176 1 12 . 1 1 69 69 HIS CB C 69 28.569 28.569 30.138 -1.569 18749
4177 1 12 . 1 1 69 69 HIS H H 69 6.608 6.608 8.114 -1.506 18749
4178 1 12 . 1 1 84 84 GLY C C 84 174.391 174.391 172.285 2.106 18749
4179 1 12 . 1 1 84 84 GLY CA C 84 45.472 45.472 45.043 0.429 18749
4180 1 12 . 1 1 85 85 THR N N 85 112.734 112.734 112.590 0.144 18749
4181 1 12 . 1 1 85 85 THR C C 85 175.056 175.056 174.636 0.420 18749
4182 1 12 . 1 1 85 85 THR CA C 85 61.980 61.980 61.187 0.793 18749
4183 1 12 . 1 1 85 85 THR CB C 85 69.868 69.868 70.888 -1.020 18749
4184 1 12 . 1 1 85 85 THR H H 85 8.012 8.012 8.048 -0.036 18749
4185 1 12 . 1 1 86 86 GLY N N 86 111.173 111.173 110.879 0.294 18749
4186 1 12 . 1 1 86 86 GLY C C 86 172.909 172.909 174.483 -1.574 18749
4187 1 12 . 1 1 86 86 GLY CA C 86 45.268 45.268 44.799 0.469 18749
4188 1 12 . 1 1 86 86 GLY H H 86 8.276 8.276 8.217 0.059 18749
4189 1 13 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.422 -0.031 18749
4190 1 13 . 1 1 4 4 PRO C C 4 176.097 176.097 176.229 -0.132 18749
4191 1 13 . 1 1 4 4 PRO CA C 4 62.965 62.965 62.724 0.242 18749
4192 1 13 . 1 1 4 4 PRO CB C 4 31.902 31.902 32.226 -0.324 18749
4193 1 13 . 1 1 5 5 VAL N N 5 121.993 121.993 120.085 1.908 18749
4194 1 13 . 1 1 5 5 VAL HA H 5 4.341 4.341 4.394 -0.053 18749
4195 1 13 . 1 1 5 5 VAL CA C 5 59.763 59.763 59.299 0.464 18749
4196 1 13 . 1 1 5 5 VAL CB C 5 32.567 32.567 32.677 -0.110 18749
4197 1 13 . 1 1 5 5 VAL H H 5 8.149 8.149 8.010 0.139 18749
4198 1 13 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.294 -0.038 18749
4199 1 13 . 1 1 6 6 PRO C C 6 176.167 176.167 176.336 -0.169 18749
4200 1 13 . 1 1 6 6 PRO CA C 6 63.138 63.138 64.966 -1.829 18749
4201 1 13 . 1 1 6 6 PRO CB C 6 31.877 31.877 32.043 -0.166 18749
4202 1 13 . 1 1 7 7 TYR N N 7 121.107 121.107 118.444 2.663 18749
4203 1 13 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.763 -0.320 18749
4204 1 13 . 1 1 7 7 TYR CA C 7 55.602 55.602 55.738 -0.136 18749
4205 1 13 . 1 1 7 7 TYR CB C 7 38.212 38.212 38.921 -0.709 18749
4206 1 13 . 1 1 7 7 TYR H H 7 7.945 7.945 7.961 -0.016 18749
4207 1 13 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.800 -0.512 18749
4208 1 13 . 1 1 8 8 PRO C C 8 176.122 176.122 174.969 1.153 18749
4209 1 13 . 1 1 8 8 PRO CA C 8 62.983 62.983 62.523 0.460 18749
4210 1 13 . 1 1 8 8 PRO CB C 8 31.913 31.913 34.064 -2.151 18749
4211 1 13 . 1 1 9 9 ASP N N 9 122.332 122.332 118.330 4.002 18749
4212 1 13 . 1 1 9 9 ASP HA H 9 4.466 4.466 4.604 -0.138 18749
4213 1 13 . 1 1 9 9 ASP CA C 9 52.317 52.317 52.786 -0.469 18749
4214 1 13 . 1 1 9 9 ASP CB C 9 41.371 41.371 41.381 -0.010 18749
4215 1 13 . 1 1 9 9 ASP H H 9 8.204 8.204 8.290 -0.086 18749
4216 1 13 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.281 0.028 18749
4217 1 13 . 1 1 10 10 PRO C C 10 177.003 177.003 177.507 -0.504 18749
4218 1 13 . 1 1 10 10 PRO CA C 10 63.635 63.635 64.345 -0.710 18749
4219 1 13 . 1 1 10 10 PRO CB C 10 32.207 32.207 31.828 0.379 18749
4220 1 13 . 1 1 11 11 LEU N N 11 120.566 120.566 115.410 5.156 18749
4221 1 13 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.136 0.085 18749
4222 1 13 . 1 1 11 11 LEU C C 11 177.277 177.277 176.766 0.511 18749
4223 1 13 . 1 1 11 11 LEU CA C 11 54.938 54.938 55.521 -0.583 18749
4224 1 13 . 1 1 11 11 LEU CB C 11 41.908 41.908 42.194 -0.286 18749
4225 1 13 . 1 1 11 11 LEU H H 11 8.295 8.295 7.517 0.778 18749
4226 1 13 . 1 1 12 12 GLU N N 12 122.415 122.415 115.867 6.548 18749
4227 1 13 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.069 0.315 18749
4228 1 13 . 1 1 12 12 GLU CA C 12 54.384 54.384 55.877 -1.493 18749
4229 1 13 . 1 1 12 12 GLU CB C 12 29.988 29.988 27.786 2.202 18749
4230 1 13 . 1 1 12 12 GLU H H 12 7.857 7.857 7.669 0.188 18749
4231 1 13 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.385 -0.136 18749
4232 1 13 . 1 1 13 13 PRO C C 13 177.132 177.132 177.252 -0.120 18749
4233 1 13 . 1 1 13 13 PRO CA C 13 63.458 63.458 63.141 0.317 18749
4234 1 13 . 1 1 13 13 PRO CB C 13 31.862 31.862 32.321 -0.459 18749
4235 1 13 . 1 1 14 14 ARG N N 14 121.214 121.214 120.789 0.425 18749
4236 1 13 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.185 -0.026 18749
4237 1 13 . 1 1 14 14 ARG CA C 14 56.162 56.162 57.202 -1.040 18749
4238 1 13 . 1 1 14 14 ARG CB C 14 30.632 30.632 30.515 0.117 18749
4239 1 13 . 1 1 14 14 ARG H H 14 8.337 8.337 8.615 -0.278 18749
4240 1 13 . 1 1 15 15 GLY N N 15 109.686 109.686 104.555 5.131 18749
4241 1 13 . 1 1 15 15 GLY C C 15 174.130 174.130 172.676 1.454 18749
4242 1 13 . 1 1 15 15 GLY CA C 15 45.312 45.312 44.915 0.397 18749
4243 1 13 . 1 1 15 15 GLY H H 15 8.280 8.280 7.719 0.561 18749
4244 1 13 . 1 1 16 16 GLY N N 16 108.011 108.011 106.795 1.216 18749
4245 1 13 . 1 1 16 16 GLY C C 16 172.056 172.056 175.051 -2.995 18749
4246 1 13 . 1 1 16 16 GLY CA C 16 44.895 44.895 45.174 -0.279 18749
4247 1 13 . 1 1 16 16 GLY H H 16 7.764 7.764 8.325 -0.561 18749
4248 1 13 . 1 1 17 17 LYS N N 17 117.049 117.049 122.197 -5.148 18749
4249 1 13 . 1 1 17 17 LYS HA H 17 4.135 4.135 4.046 0.089 18749
4250 1 13 . 1 1 17 17 LYS C C 17 175.259 175.259 177.124 -1.865 18749
4251 1 13 . 1 1 17 17 LYS CA C 17 53.914 53.914 58.649 -4.735 18749
4252 1 13 . 1 1 17 17 LYS CB C 17 35.219 35.219 32.662 2.557 18749
4253 1 13 . 1 1 17 17 LYS H H 17 7.347 7.347 8.688 -1.341 18749
4254 1 13 . 1 1 18 18 HIS N N 18 120.426 120.426 116.030 4.396 18749
4255 1 13 . 1 1 18 18 HIS C C 18 175.419 175.419 175.131 0.288 18749
4256 1 13 . 1 1 18 18 HIS CA C 18 57.086 57.086 57.537 -0.451 18749
4257 1 13 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.158 0.334 18749
4258 1 13 . 1 1 19 19 ILE N N 19 126.193 126.193 117.787 8.406 18749
4259 1 13 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.520 -0.066 18749
4260 1 13 . 1 1 19 19 ILE C C 19 175.138 175.138 175.003 0.135 18749
4261 1 13 . 1 1 19 19 ILE CA C 19 59.189 59.189 59.787 -0.598 18749
4262 1 13 . 1 1 19 19 ILE CB C 19 41.816 41.816 39.050 2.765 18749
4263 1 13 . 1 1 19 19 ILE H H 19 8.180 8.180 7.217 0.963 18749
4264 1 13 . 1 1 20 20 CYS N N 20 127.805 127.805 126.826 0.979 18749
4265 1 13 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.551 0.364 18749
4266 1 13 . 1 1 20 20 CYS C C 20 174.996 174.996 175.842 -0.846 18749
4267 1 13 . 1 1 20 20 CYS CA C 20 57.370 57.370 58.741 -1.371 18749
4268 1 13 . 1 1 20 20 CYS CB C 20 32.008 32.008 29.215 2.793 18749
4269 1 13 . 1 1 20 20 CYS H H 20 8.382 8.382 9.023 -0.641 18749
4270 1 13 . 1 1 21 21 ALA N N 21 135.406 135.406 129.226 6.180 18749
4271 1 13 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.170 -0.008 18749
4272 1 13 . 1 1 21 21 ALA C C 21 177.885 177.885 177.430 0.455 18749
4273 1 13 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.273 0.219 18749
4274 1 13 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.814 0.811 18749
4275 1 13 . 1 1 21 21 ALA H H 21 8.742 8.742 8.789 -0.047 18749
4276 1 13 . 1 1 22 22 ILE N N 22 119.063 119.063 116.653 2.410 18749
4277 1 13 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.040 -0.179 18749
4278 1 13 . 1 1 22 22 ILE C C 22 176.914 176.914 176.915 -0.001 18749
4279 1 13 . 1 1 22 22 ILE CA C 22 63.218 63.218 62.836 0.382 18749
4280 1 13 . 1 1 22 22 ILE CB C 22 37.371 37.371 39.466 -2.095 18749
4281 1 13 . 1 1 22 22 ILE H H 22 8.150 8.150 7.432 0.718 18749
4282 1 13 . 1 1 23 23 CYS N N 23 114.362 114.362 118.187 -3.825 18749
4283 1 13 . 1 1 23 23 CYS C C 23 176.216 176.216 176.086 0.130 18749
4284 1 13 . 1 1 23 23 CYS CA C 23 57.878 57.878 59.564 -1.686 18749
4285 1 13 . 1 1 23 23 CYS CB C 23 30.456 30.456 26.368 4.088 18749
4286 1 13 . 1 1 23 23 CYS H H 23 7.238 7.238 8.337 -1.099 18749
4287 1 13 . 1 1 24 24 GLY N N 24 111.898 111.898 108.354 3.544 18749
4288 1 13 . 1 1 24 24 GLY C C 24 173.367 173.367 174.330 -0.963 18749
4289 1 13 . 1 1 24 24 GLY CA C 24 46.222 46.222 46.625 -0.403 18749
4290 1 13 . 1 1 24 24 GLY H H 24 7.566 7.566 8.491 -0.925 18749
4291 1 13 . 1 1 25 25 ASN N N 25 117.684 117.684 115.563 2.121 18749
4292 1 13 . 1 1 25 25 ASN HA H 25 4.763 4.763 5.112 -0.349 18749
4293 1 13 . 1 1 25 25 ASN C C 25 174.631 174.631 174.444 0.187 18749
4294 1 13 . 1 1 25 25 ASN CA C 25 51.901 51.901 53.095 -1.194 18749
4295 1 13 . 1 1 25 25 ASN CB C 25 40.666 40.666 39.916 0.750 18749
4296 1 13 . 1 1 25 25 ASN H H 25 7.781 7.781 8.508 -0.727 18749
4297 1 13 . 1 1 26 26 ASN N N 26 118.294 118.294 117.293 1.001 18749
4298 1 13 . 1 1 26 26 ASN HA H 26 4.570 4.570 4.776 -0.206 18749
4299 1 13 . 1 1 26 26 ASN C C 26 175.502 175.502 175.067 0.435 18749
4300 1 13 . 1 1 26 26 ASN CA C 26 53.980 53.980 53.905 0.075 18749
4301 1 13 . 1 1 26 26 ASN CB C 26 38.066 38.066 38.888 -0.822 18749
4302 1 13 . 1 1 26 26 ASN H H 26 8.562 8.562 8.434 0.128 18749
4303 1 13 . 1 1 27 27 ALA N N 27 126.538 126.538 123.020 3.518 18749
4304 1 13 . 1 1 27 27 ALA C C 27 177.920 177.920 175.762 2.158 18749
4305 1 13 . 1 1 27 27 ALA CA C 27 53.567 53.567 52.614 0.953 18749
4306 1 13 . 1 1 27 27 ALA CB C 27 18.852 18.852 16.796 2.056 18749
4307 1 13 . 1 1 27 27 ALA H H 27 8.217 8.217 8.403 -0.186 18749
4308 1 13 . 1 1 28 28 GLU N N 28 112.911 112.911 117.890 -4.979 18749
4309 1 13 . 1 1 28 28 GLU HA H 28 4.099 4.099 4.324 -0.225 18749
4310 1 13 . 1 1 28 28 GLU C C 28 177.423 177.423 175.999 1.424 18749
4311 1 13 . 1 1 28 28 GLU CA C 28 57.783 57.783 56.387 1.396 18749
4312 1 13 . 1 1 28 28 GLU CB C 28 30.926 30.926 30.952 -0.026 18749
4313 1 13 . 1 1 28 28 GLU H H 28 8.608 8.608 8.568 0.040 18749
4314 1 13 . 1 1 29 29 ASP N N 29 116.209 116.209 120.688 -4.479 18749
4315 1 13 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.609 -0.175 18749
4316 1 13 . 1 1 29 29 ASP C C 29 174.486 174.486 175.340 -0.854 18749
4317 1 13 . 1 1 29 29 ASP CA C 29 55.349 55.349 53.187 2.162 18749
4318 1 13 . 1 1 29 29 ASP CB C 29 42.596 42.596 41.695 0.901 18749
4319 1 13 . 1 1 29 29 ASP H H 29 7.272 7.272 7.753 -0.481 18749
4320 1 13 . 1 1 30 30 TYR N N 30 116.344 116.344 120.037 -3.693 18749
4321 1 13 . 1 1 30 30 TYR CA C 30 57.018 57.018 58.510 -1.492 18749
4322 1 13 . 1 1 30 30 TYR CB C 30 43.459 43.459 39.149 4.310 18749
4323 1 13 . 1 1 30 30 TYR H H 30 7.281 7.281 8.203 -0.922 18749
4324 1 13 . 1 1 31 31 LYS C C 31 177.018 177.018 176.555 0.463 18749
4325 1 13 . 1 1 32 32 HIS N N 32 116.170 116.170 118.075 -1.905 18749
4326 1 13 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.470 -0.668 18749
4327 1 13 . 1 1 32 32 HIS C C 32 173.979 173.979 176.994 -3.015 18749
4328 1 13 . 1 1 32 32 HIS CA C 32 55.136 55.136 59.551 -4.415 18749
4329 1 13 . 1 1 32 32 HIS CB C 32 33.128 33.128 30.624 2.504 18749
4330 1 13 . 1 1 32 32 HIS H H 32 7.691 7.691 7.882 -0.191 18749
4331 1 13 . 1 1 33 33 THR N N 33 108.605 108.605 110.658 -2.053 18749
4332 1 13 . 1 1 33 33 THR HA H 33 4.424 4.424 4.251 0.173 18749
4333 1 13 . 1 1 33 33 THR C C 33 175.107 175.107 174.748 0.359 18749
4334 1 13 . 1 1 33 33 THR CA C 33 60.218 60.218 64.062 -3.844 18749
4335 1 13 . 1 1 33 33 THR CB C 33 69.476 69.476 68.912 0.564 18749
4336 1 13 . 1 1 33 33 THR H H 33 8.051 8.051 8.168 -0.117 18749
4337 1 13 . 1 1 34 34 ASP N N 34 121.404 121.404 121.459 -0.055 18749
4338 1 13 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.518 0.072 18749
4339 1 13 . 1 1 34 34 ASP C C 34 175.334 175.334 176.863 -1.529 18749
4340 1 13 . 1 1 34 34 ASP CA C 34 53.564 53.564 56.762 -3.198 18749
4341 1 13 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.536 -0.116 18749
4342 1 13 . 1 1 34 34 ASP H H 34 7.973 7.973 8.258 -0.285 18749
4343 1 13 . 1 1 35 35 MET N N 35 119.898 119.898 116.865 3.033 18749
4344 1 13 . 1 1 35 35 MET HA H 35 4.398 4.398 4.275 0.123 18749
4345 1 13 . 1 1 35 35 MET C C 35 174.846 174.846 176.545 -1.699 18749
4346 1 13 . 1 1 35 35 MET CA C 35 55.631 55.631 57.449 -1.817 18749
4347 1 13 . 1 1 35 35 MET CB C 35 33.382 33.382 33.152 0.230 18749
4348 1 13 . 1 1 35 35 MET H H 35 7.585 7.585 7.537 0.048 18749
4349 1 13 . 1 1 36 36 ASP N N 36 123.631 123.631 119.336 4.295 18749
4350 1 13 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.583 -0.097 18749
4351 1 13 . 1 1 36 36 ASP C C 36 176.456 176.456 175.471 0.985 18749
4352 1 13 . 1 1 36 36 ASP CA C 36 54.279 54.279 54.515 -0.236 18749
4353 1 13 . 1 1 36 36 ASP CB C 36 41.156 41.156 41.346 -0.190 18749
4354 1 13 . 1 1 36 36 ASP H H 36 8.360 8.360 7.780 0.580 18749
4355 1 13 . 1 1 37 37 LEU N N 37 123.812 123.812 122.382 1.430 18749
4356 1 13 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.461 -0.158 18749
4357 1 13 . 1 1 37 37 LEU C C 37 177.554 177.554 177.711 -0.157 18749
4358 1 13 . 1 1 37 37 LEU CA C 37 55.317 55.317 54.743 0.574 18749
4359 1 13 . 1 1 37 37 LEU CB C 37 41.945 41.945 42.559 -0.614 18749
4360 1 13 . 1 1 37 37 LEU H H 37 8.224 8.224 8.248 -0.024 18749
4361 1 13 . 1 1 38 38 THR N N 38 113.723 113.723 114.695 -0.972 18749
4362 1 13 . 1 1 38 38 THR HA H 38 4.153 4.153 4.328 -0.175 18749
4363 1 13 . 1 1 38 38 THR C C 38 174.786 174.786 174.393 0.393 18749
4364 1 13 . 1 1 38 38 THR CA C 38 62.673 62.673 61.382 1.292 18749
4365 1 13 . 1 1 38 38 THR CB C 38 69.792 69.792 69.720 0.072 18749
4366 1 13 . 1 1 38 38 THR H H 38 8.321 8.321 8.045 0.276 18749
4367 1 13 . 1 1 39 39 TYR N N 39 121.098 121.098 121.690 -0.592 18749
4368 1 13 . 1 1 39 39 TYR C C 39 175.992 175.992 177.066 -1.074 18749
4369 1 13 . 1 1 39 39 TYR CA C 39 58.083 58.083 58.315 -0.232 18749
4370 1 13 . 1 1 39 39 TYR CB C 39 38.309 38.309 39.330 -1.021 18749
4371 1 13 . 1 1 39 39 TYR H H 39 7.920 7.920 8.719 -0.799 18749
4372 1 13 . 1 1 40 40 THR N N 40 113.380 113.380 113.751 -0.371 18749
4373 1 13 . 1 1 40 40 THR C C 40 174.356 174.356 174.864 -0.508 18749
4374 1 13 . 1 1 40 40 THR CA C 40 61.801 61.801 62.698 -0.897 18749
4375 1 13 . 1 1 40 40 THR CB C 40 69.965 69.965 69.302 0.663 18749
4376 1 13 . 1 1 40 40 THR H H 40 7.885 7.885 8.332 -0.447 18749
4377 1 13 . 1 1 41 41 ASP N N 41 121.537 121.537 121.663 -0.126 18749
4378 1 13 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.623 -0.155 18749
4379 1 13 . 1 1 41 41 ASP C C 41 176.338 176.338 175.739 0.599 18749
4380 1 13 . 1 1 41 41 ASP CA C 41 54.674 54.674 53.344 1.330 18749
4381 1 13 . 1 1 41 41 ASP CB C 41 40.996 40.996 42.014 -1.018 18749
4382 1 13 . 1 1 41 41 ASP H H 41 8.184 8.184 7.957 0.227 18749
4383 1 13 . 1 1 42 42 ARG N N 42 119.745 119.745 121.350 -1.605 18749
4384 1 13 . 1 1 42 42 ARG HA H 42 4.171 4.171 4.191 -0.020 18749
4385 1 13 . 1 1 42 42 ARG C C 42 175.906 175.906 175.504 0.402 18749
4386 1 13 . 1 1 42 42 ARG CA C 42 56.644 56.644 56.510 0.134 18749
4387 1 13 . 1 1 42 42 ARG CB C 42 30.788 30.788 30.433 0.355 18749
4388 1 13 . 1 1 42 42 ARG H H 42 7.997 7.997 8.373 -0.376 18749
4389 1 13 . 1 1 43 43 ASP N N 43 119.314 119.314 121.527 -2.213 18749
4390 1 13 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.497 0.006 18749
4391 1 13 . 1 1 43 43 ASP C C 43 175.599 175.599 176.184 -0.585 18749
4392 1 13 . 1 1 43 43 ASP CA C 43 54.368 54.368 54.049 0.319 18749
4393 1 13 . 1 1 43 43 ASP CB C 43 41.071 41.071 41.503 -0.432 18749
4394 1 13 . 1 1 43 43 ASP H H 43 8.181 8.181 8.316 -0.135 18749
4395 1 13 . 1 1 44 44 TYR N N 44 120.178 120.178 120.266 -0.088 18749
4396 1 13 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.474 -0.150 18749
4397 1 13 . 1 1 44 44 TYR C C 44 175.321 175.321 176.305 -0.984 18749
4398 1 13 . 1 1 44 44 TYR CA C 44 58.553 58.553 58.165 0.388 18749
4399 1 13 . 1 1 44 44 TYR CB C 44 38.614 38.614 39.240 -0.627 18749
4400 1 13 . 1 1 44 44 TYR H H 44 7.806 7.806 8.239 -0.433 18749
4401 1 13 . 1 1 45 45 LYS N N 45 123.353 123.353 123.514 -0.161 18749
4402 1 13 . 1 1 45 45 LYS CA C 45 55.745 55.745 56.191 -0.446 18749
4403 1 13 . 1 1 45 45 LYS CB C 45 33.789 33.789 32.900 0.889 18749
4404 1 13 . 1 1 45 45 LYS H H 45 7.731 7.731 8.481 -0.750 18749
4405 1 13 . 1 1 47 47 CYS N N 47 125.060 125.060 121.841 3.219 18749
4406 1 13 . 1 1 47 47 CYS H H 47 8.811 8.811 8.626 0.185 18749
4407 1 13 . 1 1 48 48 GLU C C 48 178.473 178.473 175.658 2.815 18749
4408 1 13 . 1 1 49 49 SER N N 49 120.359 120.359 117.197 3.162 18749
4409 1 13 . 1 1 49 49 SER C C 49 172.276 172.276 172.954 -0.678 18749
4410 1 13 . 1 1 49 49 SER CA C 49 61.125 61.125 57.631 3.494 18749
4411 1 13 . 1 1 49 49 SER CB C 49 63.224 63.224 65.240 -2.016 18749
4412 1 13 . 1 1 49 49 SER H H 49 8.737 8.737 8.265 0.472 18749
4413 1 13 . 1 1 50 50 TYR N N 50 110.556 110.556 120.363 -9.807 18749
4414 1 13 . 1 1 50 50 TYR C C 50 175.624 175.624 175.327 0.297 18749
4415 1 13 . 1 1 50 50 TYR CA C 50 59.205 59.205 58.057 1.147 18749
4416 1 13 . 1 1 50 50 TYR CB C 50 38.197 38.197 40.967 -2.770 18749
4417 1 13 . 1 1 50 50 TYR H H 50 6.326 6.326 8.756 -2.430 18749
4418 1 13 . 1 1 51 51 HIS N N 51 119.871 119.871 119.950 -0.079 18749
4419 1 13 . 1 1 51 51 HIS HA H 51 3.757 3.757 4.556 -0.799 18749
4420 1 13 . 1 1 51 51 HIS C C 51 176.588 176.588 175.733 0.855 18749
4421 1 13 . 1 1 51 51 HIS CA C 51 59.323 59.323 57.634 1.689 18749
4422 1 13 . 1 1 51 51 HIS CB C 51 27.514 27.514 30.264 -2.750 18749
4423 1 13 . 1 1 51 51 HIS H H 51 5.890 5.890 8.659 -2.769 18749
4424 1 13 . 1 1 52 52 LYS N N 52 122.505 122.505 119.863 2.642 18749
4425 1 13 . 1 1 52 52 LYS C C 52 178.958 178.958 178.089 0.869 18749
4426 1 13 . 1 1 52 52 LYS CA C 52 58.922 58.922 58.295 0.627 18749
4427 1 13 . 1 1 52 52 LYS CB C 52 31.291 31.291 32.662 -1.371 18749
4428 1 13 . 1 1 52 52 LYS H H 52 7.660 7.660 8.349 -0.689 18749
4429 1 13 . 1 1 53 53 CYS N N 53 117.268 117.268 115.886 1.382 18749
4430 1 13 . 1 1 53 53 CYS C C 53 179.241 179.241 174.164 5.077 18749
4431 1 13 . 1 1 53 53 CYS CA C 53 64.802 64.802 58.147 6.655 18749
4432 1 13 . 1 1 53 53 CYS CB C 53 30.906 30.906 29.138 1.768 18749
4433 1 13 . 1 1 53 53 CYS H H 53 8.256 8.256 8.218 0.038 18749
4434 1 13 . 1 1 54 54 SER N N 54 111.716 111.716 115.060 -3.344 18749
4435 1 13 . 1 1 54 54 SER HA H 54 3.839 3.839 4.477 -0.638 18749
4436 1 13 . 1 1 54 54 SER C C 54 175.922 175.922 174.181 1.741 18749
4437 1 13 . 1 1 54 54 SER CA C 54 60.263 60.263 57.948 2.315 18749
4438 1 13 . 1 1 54 54 SER CB C 54 64.120 64.120 65.030 -0.910 18749
4439 1 13 . 1 1 54 54 SER H H 54 7.671 7.671 8.542 -0.871 18749
4440 1 13 . 1 1 55 55 ASP N N 55 119.056 119.056 119.008 0.048 18749
4441 1 13 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.873 -0.578 18749
4442 1 13 . 1 1 55 55 ASP C C 55 178.101 178.101 176.659 1.442 18749
4443 1 13 . 1 1 55 55 ASP CA C 55 57.387 57.387 54.126 3.261 18749
4444 1 13 . 1 1 55 55 ASP CB C 55 40.315 40.315 42.595 -2.280 18749
4445 1 13 . 1 1 55 55 ASP H H 55 7.438 7.438 8.238 -0.800 18749
4446 1 13 . 1 1 56 56 LEU N N 56 118.324 118.324 120.391 -2.067 18749
4447 1 13 . 1 1 56 56 LEU HA H 56 4.168 4.168 4.178 -0.010 18749
4448 1 13 . 1 1 56 56 LEU C C 56 176.250 176.250 177.540 -1.290 18749
4449 1 13 . 1 1 56 56 LEU CA C 56 55.333 55.333 56.595 -1.262 18749
4450 1 13 . 1 1 56 56 LEU CB C 56 43.173 43.173 42.439 0.734 18749
4451 1 13 . 1 1 56 56 LEU H H 56 7.565 7.565 7.448 0.117 18749
4452 1 13 . 1 1 57 57 CYS N N 57 124.095 124.095 118.174 5.921 18749
4453 1 13 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.672 -0.417 18749
4454 1 13 . 1 1 57 57 CYS C C 57 177.371 177.371 175.320 2.051 18749
4455 1 13 . 1 1 57 57 CYS CA C 57 59.255 59.255 58.059 1.196 18749
4456 1 13 . 1 1 57 57 CYS CB C 57 30.128 30.128 26.669 3.459 18749
4457 1 13 . 1 1 57 57 CYS H H 57 7.265 7.265 8.210 -0.945 18749
4458 1 13 . 1 1 58 58 GLN N N 58 131.839 131.839 128.763 3.076 18749
4459 1 13 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.134 -0.211 18749
4460 1 13 . 1 1 58 58 GLN C C 58 178.435 178.435 177.545 0.890 18749
4461 1 13 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.316 0.972 18749
4462 1 13 . 1 1 58 58 GLN CB C 58 28.195 28.195 28.415 -0.220 18749
4463 1 13 . 1 1 58 58 GLN H H 58 9.451 9.451 9.027 0.424 18749
4464 1 13 . 1 1 59 59 TYR N N 59 124.026 124.026 120.653 3.373 18749
4465 1 13 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.562 -0.133 18749
4466 1 13 . 1 1 59 59 TYR C C 59 178.722 178.722 177.202 1.520 18749
4467 1 13 . 1 1 59 59 TYR CA C 59 60.295 60.295 61.810 -1.515 18749
4468 1 13 . 1 1 59 59 TYR CB C 59 38.591 38.591 38.601 -0.010 18749
4469 1 13 . 1 1 59 59 TYR H H 59 8.699 8.699 8.280 0.419 18749
4470 1 13 . 1 1 60 60 CYS N N 60 122.268 122.268 117.419 4.849 18749
4471 1 13 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.648 -0.331 18749
4472 1 13 . 1 1 60 60 CYS C C 60 176.011 176.011 176.811 -0.800 18749
4473 1 13 . 1 1 60 60 CYS CA C 60 64.499 64.499 61.450 3.049 18749
4474 1 13 . 1 1 60 60 CYS CB C 60 30.203 30.203 26.006 4.197 18749
4475 1 13 . 1 1 60 60 CYS H H 60 8.432 8.432 7.923 0.509 18749
4476 1 13 . 1 1 61 61 ARG N N 61 116.449 116.449 118.756 -2.307 18749
4477 1 13 . 1 1 61 61 ARG HA H 61 3.895 3.895 3.885 0.010 18749
4478 1 13 . 1 1 61 61 ARG C C 61 176.965 176.965 177.989 -1.024 18749
4479 1 13 . 1 1 61 61 ARG CA C 61 58.336 58.336 59.122 -0.786 18749
4480 1 13 . 1 1 61 61 ARG CB C 61 29.771 29.771 29.881 -0.110 18749
4481 1 13 . 1 1 61 61 ARG H H 61 7.265 7.265 7.667 -0.402 18749
4482 1 13 . 1 1 62 62 TYR N N 62 117.341 117.341 116.307 1.034 18749
4483 1 13 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.229 0.240 18749
4484 1 13 . 1 1 62 62 TYR C C 62 175.562 175.562 177.203 -1.641 18749
4485 1 13 . 1 1 62 62 TYR CA C 62 58.566 58.566 59.831 -1.266 18749
4486 1 13 . 1 1 62 62 TYR CB C 62 39.182 39.182 39.350 -0.168 18749
4487 1 13 . 1 1 62 62 TYR H H 62 7.259 7.259 7.490 -0.231 18749
4488 1 13 . 1 1 63 63 GLN N N 63 121.663 121.663 117.621 4.042 18749
4489 1 13 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.557 -0.347 18749
4490 1 13 . 1 1 63 63 GLN C C 63 173.076 173.076 174.898 -1.822 18749
4491 1 13 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.709 -0.217 18749
4492 1 13 . 1 1 63 63 GLN CB C 63 29.401 29.401 31.555 -2.154 18749
4493 1 13 . 1 1 63 63 GLN H H 63 7.856 7.856 7.981 -0.125 18749
4494 1 13 . 1 1 64 64 LYS N N 64 127.668 127.668 125.471 2.197 18749
4495 1 13 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.140 0.161 18749
4496 1 13 . 1 1 64 64 LYS C C 64 177.301 177.301 175.883 1.418 18749
4497 1 13 . 1 1 64 64 LYS CA C 64 58.182 58.182 57.394 0.788 18749
4498 1 13 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.310 0.204 18749
4499 1 13 . 1 1 64 64 LYS H H 64 8.204 8.204 8.683 -0.479 18749
4500 1 13 . 1 1 65 65 ASP N N 65 131.040 131.040 123.783 7.257 18749
4501 1 13 . 1 1 65 65 ASP C C 65 174.529 174.529 177.171 -2.642 18749
4502 1 13 . 1 1 65 65 ASP CA C 65 53.232 53.232 53.866 -0.634 18749
4503 1 13 . 1 1 65 65 ASP CB C 65 41.222 41.222 41.746 -0.524 18749
4504 1 13 . 1 1 65 65 ASP H H 65 8.677 8.677 8.456 0.221 18749
4505 1 13 . 1 1 66 66 LEU N N 66 125.688 125.688 121.282 4.406 18749
4506 1 13 . 1 1 66 66 LEU HA H 66 4.088 4.088 4.078 0.010 18749
4507 1 13 . 1 1 66 66 LEU C C 66 178.676 178.676 178.402 0.274 18749
4508 1 13 . 1 1 66 66 LEU CA C 66 57.836 57.836 56.930 0.906 18749
4509 1 13 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.430 1.766 18749
4510 1 13 . 1 1 66 66 LEU H H 66 8.733 8.733 8.260 0.473 18749
4511 1 13 . 1 1 67 67 ALA N N 67 119.916 119.916 122.588 -2.672 18749
4512 1 13 . 1 1 67 67 ALA C C 67 180.513 180.513 178.673 1.840 18749
4513 1 13 . 1 1 67 67 ALA CA C 67 55.151 55.151 54.678 0.473 18749
4514 1 13 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.463 -0.345 18749
4515 1 13 . 1 1 67 67 ALA H H 67 8.076 8.076 7.818 0.258 18749
4516 1 13 . 1 1 68 68 ILE N N 68 119.735 119.735 115.240 4.495 18749
4517 1 13 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.609 0.050 18749
4518 1 13 . 1 1 68 68 ILE C C 68 177.647 177.647 177.068 0.579 18749
4519 1 13 . 1 1 68 68 ILE CA C 68 63.267 63.267 64.269 -1.002 18749
4520 1 13 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.464 -0.126 18749
4521 1 13 . 1 1 68 68 ILE H H 68 7.342 7.342 7.267 0.075 18749
4522 1 13 . 1 1 69 69 HIS N N 69 119.542 119.542 119.239 0.303 18749
4523 1 13 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.211 0.092 18749
4524 1 13 . 1 1 69 69 HIS CA C 69 59.224 59.224 58.487 0.737 18749
4525 1 13 . 1 1 69 69 HIS CB C 69 28.569 28.569 30.294 -1.725 18749
4526 1 13 . 1 1 69 69 HIS H H 69 6.608 6.608 8.220 -1.612 18749
4527 1 13 . 1 1 84 84 GLY C C 84 174.391 174.391 174.484 -0.093 18749
4528 1 13 . 1 1 84 84 GLY CA C 84 45.472 45.472 44.615 0.857 18749
4529 1 13 . 1 1 85 85 THR N N 85 112.734 112.734 114.004 -1.270 18749
4530 1 13 . 1 1 85 85 THR C C 85 175.056 175.056 175.922 -0.866 18749
4531 1 13 . 1 1 85 85 THR CA C 85 61.980 61.980 61.154 0.826 18749
4532 1 13 . 1 1 85 85 THR CB C 85 69.868 69.868 69.947 -0.079 18749
4533 1 13 . 1 1 85 85 THR H H 85 8.012 8.012 7.893 0.119 18749
4534 1 13 . 1 1 86 86 GLY N N 86 111.173 111.173 109.291 1.882 18749
4535 1 13 . 1 1 86 86 GLY C C 86 172.909 172.909 174.190 -1.281 18749
4536 1 13 . 1 1 86 86 GLY CA C 86 45.268 45.268 45.843 -0.575 18749
4537 1 13 . 1 1 86 86 GLY H H 86 8.276 8.276 8.756 -0.480 18749
4538 1 14 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.520 -0.129 18749
4539 1 14 . 1 1 4 4 PRO C C 4 176.097 176.097 176.579 -0.482 18749
4540 1 14 . 1 1 4 4 PRO CA C 4 62.965 62.965 62.696 0.269 18749
4541 1 14 . 1 1 4 4 PRO CB C 4 31.902 31.902 32.200 -0.298 18749
4542 1 14 . 1 1 5 5 VAL N N 5 121.993 121.993 120.318 1.675 18749
4543 1 14 . 1 1 5 5 VAL HA H 5 4.341 4.341 4.336 0.005 18749
4544 1 14 . 1 1 5 5 VAL CA C 5 59.763 59.763 59.491 0.272 18749
4545 1 14 . 1 1 5 5 VAL CB C 5 32.567 32.567 30.595 1.972 18749
4546 1 14 . 1 1 5 5 VAL H H 5 8.149 8.149 8.369 -0.220 18749
4547 1 14 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.199 0.057 18749
4548 1 14 . 1 1 6 6 PRO C C 6 176.167 176.167 176.547 -0.380 18749
4549 1 14 . 1 1 6 6 PRO CA C 6 63.138 63.138 64.381 -1.243 18749
4550 1 14 . 1 1 6 6 PRO CB C 6 31.877 31.877 31.905 -0.028 18749
4551 1 14 . 1 1 7 7 TYR N N 7 121.107 121.107 119.322 1.785 18749
4552 1 14 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.424 0.019 18749
4553 1 14 . 1 1 7 7 TYR CA C 7 55.602 55.602 56.043 -0.441 18749
4554 1 14 . 1 1 7 7 TYR CB C 7 38.212 38.212 37.894 0.319 18749
4555 1 14 . 1 1 7 7 TYR H H 7 7.945 7.945 7.811 0.134 18749
4556 1 14 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.503 -0.215 18749
4557 1 14 . 1 1 8 8 PRO C C 8 176.122 176.122 175.743 0.379 18749
4558 1 14 . 1 1 8 8 PRO CA C 8 62.983 62.983 62.865 0.118 18749
4559 1 14 . 1 1 8 8 PRO CB C 8 31.913 31.913 32.794 -0.881 18749
4560 1 14 . 1 1 9 9 ASP N N 9 122.332 122.332 118.607 3.725 18749
4561 1 14 . 1 1 9 9 ASP HA H 9 4.466 4.466 4.794 -0.328 18749
4562 1 14 . 1 1 9 9 ASP CA C 9 52.317 52.317 53.051 -0.734 18749
4563 1 14 . 1 1 9 9 ASP CB C 9 41.371 41.371 41.370 0.001 18749
4564 1 14 . 1 1 9 9 ASP H H 9 8.204 8.204 8.490 -0.286 18749
4565 1 14 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.510 -0.201 18749
4566 1 14 . 1 1 10 10 PRO C C 10 177.003 177.003 177.143 -0.140 18749
4567 1 14 . 1 1 10 10 PRO CA C 10 63.635 63.635 63.654 -0.019 18749
4568 1 14 . 1 1 10 10 PRO CB C 10 32.207 32.207 31.740 0.467 18749
4569 1 14 . 1 1 11 11 LEU N N 11 120.566 120.566 118.632 1.934 18749
4570 1 14 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.215 0.006 18749
4571 1 14 . 1 1 11 11 LEU C C 11 177.277 177.277 178.193 -0.916 18749
4572 1 14 . 1 1 11 11 LEU CA C 11 54.938 54.938 56.491 -1.553 18749
4573 1 14 . 1 1 11 11 LEU CB C 11 41.908 41.908 41.967 -0.059 18749
4574 1 14 . 1 1 11 11 LEU H H 11 8.295 8.295 7.630 0.665 18749
4575 1 14 . 1 1 12 12 GLU N N 12 122.415 122.415 118.229 4.186 18749
4576 1 14 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.241 0.143 18749
4577 1 14 . 1 1 12 12 GLU CA C 12 54.384 54.384 57.709 -3.325 18749
4578 1 14 . 1 1 12 12 GLU CB C 12 29.988 29.988 28.198 1.790 18749
4579 1 14 . 1 1 12 12 GLU H H 12 7.857 7.857 8.117 -0.260 18749
4580 1 14 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.457 -0.208 18749
4581 1 14 . 1 1 13 13 PRO C C 13 177.132 177.132 176.599 0.533 18749
4582 1 14 . 1 1 13 13 PRO CA C 13 63.458 63.458 63.074 0.384 18749
4583 1 14 . 1 1 13 13 PRO CB C 13 31.862 31.862 32.108 -0.246 18749
4584 1 14 . 1 1 14 14 ARG N N 14 121.214 121.214 123.168 -1.954 18749
4585 1 14 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.044 0.115 18749
4586 1 14 . 1 1 14 14 ARG CA C 14 56.162 56.162 57.657 -1.495 18749
4587 1 14 . 1 1 14 14 ARG CB C 14 30.632 30.632 30.489 0.143 18749
4588 1 14 . 1 1 14 14 ARG H H 14 8.337 8.337 8.585 -0.248 18749
4589 1 14 . 1 1 15 15 GLY N N 15 109.686 109.686 105.936 3.750 18749
4590 1 14 . 1 1 15 15 GLY C C 15 174.130 174.130 173.758 0.372 18749
4591 1 14 . 1 1 15 15 GLY CA C 15 45.312 45.312 44.189 1.123 18749
4592 1 14 . 1 1 15 15 GLY H H 15 8.280 8.280 7.681 0.599 18749
4593 1 14 . 1 1 16 16 GLY N N 16 108.011 108.011 106.709 1.302 18749
4594 1 14 . 1 1 16 16 GLY C C 16 172.056 172.056 175.733 -3.677 18749
4595 1 14 . 1 1 16 16 GLY CA C 16 44.895 44.895 44.213 0.682 18749
4596 1 14 . 1 1 16 16 GLY H H 16 7.764 7.764 8.329 -0.565 18749
4597 1 14 . 1 1 17 17 LYS N N 17 117.049 117.049 123.357 -6.308 18749
4598 1 14 . 1 1 17 17 LYS HA H 17 4.135 4.135 4.020 0.115 18749
4599 1 14 . 1 1 17 17 LYS C C 17 175.259 175.259 177.545 -2.286 18749
4600 1 14 . 1 1 17 17 LYS CA C 17 53.914 53.914 58.476 -4.562 18749
4601 1 14 . 1 1 17 17 LYS CB C 17 35.219 35.219 32.141 3.078 18749
4602 1 14 . 1 1 17 17 LYS H H 17 7.347 7.347 8.660 -1.313 18749
4603 1 14 . 1 1 18 18 HIS N N 18 120.426 120.426 116.185 4.241 18749
4604 1 14 . 1 1 18 18 HIS C C 18 175.419 175.419 175.278 0.141 18749
4605 1 14 . 1 1 18 18 HIS CA C 18 57.086 57.086 57.763 -0.677 18749
4606 1 14 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.138 0.354 18749
4607 1 14 . 1 1 19 19 ILE N N 19 126.193 126.193 117.699 8.494 18749
4608 1 14 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.487 -0.033 18749
4609 1 14 . 1 1 19 19 ILE C C 19 175.138 175.138 175.119 0.019 18749
4610 1 14 . 1 1 19 19 ILE CA C 19 59.189 59.189 59.865 -0.676 18749
4611 1 14 . 1 1 19 19 ILE CB C 19 41.816 41.816 39.034 2.782 18749
4612 1 14 . 1 1 19 19 ILE H H 19 8.180 8.180 7.250 0.930 18749
4613 1 14 . 1 1 20 20 CYS N N 20 127.805 127.805 126.913 0.892 18749
4614 1 14 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.541 0.374 18749
4615 1 14 . 1 1 20 20 CYS C C 20 174.996 174.996 175.932 -0.936 18749
4616 1 14 . 1 1 20 20 CYS CA C 20 57.370 57.370 58.692 -1.322 18749
4617 1 14 . 1 1 20 20 CYS CB C 20 32.008 32.008 29.320 2.688 18749
4618 1 14 . 1 1 20 20 CYS H H 20 8.382 8.382 8.895 -0.513 18749
4619 1 14 . 1 1 21 21 ALA N N 21 135.406 135.406 128.206 7.200 18749
4620 1 14 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.175 -0.013 18749
4621 1 14 . 1 1 21 21 ALA C C 21 177.885 177.885 177.391 0.494 18749
4622 1 14 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.256 0.236 18749
4623 1 14 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.844 0.781 18749
4624 1 14 . 1 1 21 21 ALA H H 21 8.742 8.742 8.779 -0.037 18749
4625 1 14 . 1 1 22 22 ILE N N 22 119.063 119.063 116.398 2.665 18749
4626 1 14 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.201 -0.340 18749
4627 1 14 . 1 1 22 22 ILE C C 22 176.914 176.914 176.928 -0.014 18749
4628 1 14 . 1 1 22 22 ILE CA C 22 63.218 63.218 62.176 1.042 18749
4629 1 14 . 1 1 22 22 ILE CB C 22 37.371 37.371 39.635 -2.264 18749
4630 1 14 . 1 1 22 22 ILE H H 22 8.150 8.150 7.415 0.735 18749
4631 1 14 . 1 1 23 23 CYS N N 23 114.362 114.362 118.317 -3.955 18749
4632 1 14 . 1 1 23 23 CYS C C 23 176.216 176.216 176.102 0.114 18749
4633 1 14 . 1 1 23 23 CYS CA C 23 57.878 57.878 59.566 -1.688 18749
4634 1 14 . 1 1 23 23 CYS CB C 23 30.456 30.456 26.296 4.160 18749
4635 1 14 . 1 1 23 23 CYS H H 23 7.238 7.238 8.381 -1.143 18749
4636 1 14 . 1 1 24 24 GLY N N 24 111.898 111.898 108.331 3.567 18749
4637 1 14 . 1 1 24 24 GLY C C 24 173.367 173.367 174.360 -0.993 18749
4638 1 14 . 1 1 24 24 GLY CA C 24 46.222 46.222 46.628 -0.406 18749
4639 1 14 . 1 1 24 24 GLY H H 24 7.566 7.566 8.490 -0.924 18749
4640 1 14 . 1 1 25 25 ASN N N 25 117.684 117.684 115.626 2.058 18749
4641 1 14 . 1 1 25 25 ASN HA H 25 4.763 4.763 5.095 -0.332 18749
4642 1 14 . 1 1 25 25 ASN C C 25 174.631 174.631 174.647 -0.016 18749
4643 1 14 . 1 1 25 25 ASN CA C 25 51.901 51.901 53.173 -1.272 18749
4644 1 14 . 1 1 25 25 ASN CB C 25 40.666 40.666 39.888 0.778 18749
4645 1 14 . 1 1 25 25 ASN H H 25 7.781 7.781 8.510 -0.729 18749
4646 1 14 . 1 1 26 26 ASN N N 26 118.294 118.294 117.608 0.686 18749
4647 1 14 . 1 1 26 26 ASN HA H 26 4.570 4.570 4.954 -0.384 18749
4648 1 14 . 1 1 26 26 ASN C C 26 175.502 175.502 175.127 0.375 18749
4649 1 14 . 1 1 26 26 ASN CA C 26 53.980 53.980 53.815 0.165 18749
4650 1 14 . 1 1 26 26 ASN CB C 26 38.066 38.066 38.828 -0.762 18749
4651 1 14 . 1 1 26 26 ASN H H 26 8.562 8.562 8.396 0.166 18749
4652 1 14 . 1 1 27 27 ALA N N 27 126.538 126.538 123.286 3.252 18749
4653 1 14 . 1 1 27 27 ALA C C 27 177.920 177.920 175.781 2.139 18749
4654 1 14 . 1 1 27 27 ALA CA C 27 53.567 53.567 52.288 1.279 18749
4655 1 14 . 1 1 27 27 ALA CB C 27 18.852 18.852 16.977 1.875 18749
4656 1 14 . 1 1 27 27 ALA H H 27 8.217 8.217 8.403 -0.186 18749
4657 1 14 . 1 1 28 28 GLU N N 28 112.911 112.911 117.125 -4.214 18749
4658 1 14 . 1 1 28 28 GLU HA H 28 4.099 4.099 4.281 -0.182 18749
4659 1 14 . 1 1 28 28 GLU C C 28 177.423 177.423 175.640 1.783 18749
4660 1 14 . 1 1 28 28 GLU CA C 28 57.783 57.783 56.439 1.344 18749
4661 1 14 . 1 1 28 28 GLU CB C 28 30.926 30.926 30.393 0.533 18749
4662 1 14 . 1 1 28 28 GLU H H 28 8.608 8.608 8.440 0.168 18749
4663 1 14 . 1 1 29 29 ASP N N 29 116.209 116.209 120.528 -4.319 18749
4664 1 14 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.447 -0.013 18749
4665 1 14 . 1 1 29 29 ASP C C 29 174.486 174.486 175.184 -0.698 18749
4666 1 14 . 1 1 29 29 ASP CA C 29 55.349 55.349 52.723 2.626 18749
4667 1 14 . 1 1 29 29 ASP CB C 29 42.596 42.596 40.723 1.873 18749
4668 1 14 . 1 1 29 29 ASP H H 29 7.272 7.272 7.649 -0.377 18749
4669 1 14 . 1 1 30 30 TYR N N 30 116.344 116.344 119.426 -3.082 18749
4670 1 14 . 1 1 30 30 TYR CA C 30 57.018 57.018 58.770 -1.752 18749
4671 1 14 . 1 1 30 30 TYR CB C 30 43.459 43.459 38.846 4.613 18749
4672 1 14 . 1 1 30 30 TYR H H 30 7.281 7.281 8.332 -1.051 18749
4673 1 14 . 1 1 31 31 LYS C C 31 177.018 177.018 176.236 0.782 18749
4674 1 14 . 1 1 32 32 HIS N N 32 116.170 116.170 117.929 -1.759 18749
4675 1 14 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.516 -0.714 18749
4676 1 14 . 1 1 32 32 HIS C C 32 173.979 173.979 176.810 -2.831 18749
4677 1 14 . 1 1 32 32 HIS CA C 32 55.136 55.136 59.330 -4.194 18749
4678 1 14 . 1 1 32 32 HIS CB C 32 33.128 33.128 30.665 2.463 18749
4679 1 14 . 1 1 32 32 HIS H H 32 7.691 7.691 8.114 -0.423 18749
4680 1 14 . 1 1 33 33 THR N N 33 108.605 108.605 110.872 -2.267 18749
4681 1 14 . 1 1 33 33 THR HA H 33 4.424 4.424 4.507 -0.083 18749
4682 1 14 . 1 1 33 33 THR C C 33 175.107 175.107 175.104 0.003 18749
4683 1 14 . 1 1 33 33 THR CA C 33 60.218 60.218 63.416 -3.198 18749
4684 1 14 . 1 1 33 33 THR CB C 33 69.476 69.476 68.770 0.706 18749
4685 1 14 . 1 1 33 33 THR H H 33 8.051 8.051 7.728 0.323 18749
4686 1 14 . 1 1 34 34 ASP N N 34 121.404 121.404 120.692 0.712 18749
4687 1 14 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.505 0.085 18749
4688 1 14 . 1 1 34 34 ASP C C 34 175.334 175.334 176.981 -1.647 18749
4689 1 14 . 1 1 34 34 ASP CA C 34 53.564 53.564 56.781 -3.216 18749
4690 1 14 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.559 -0.139 18749
4691 1 14 . 1 1 34 34 ASP H H 34 7.973 7.973 8.431 -0.458 18749
4692 1 14 . 1 1 35 35 MET N N 35 119.898 119.898 117.325 2.573 18749
4693 1 14 . 1 1 35 35 MET HA H 35 4.398 4.398 4.231 0.167 18749
4694 1 14 . 1 1 35 35 MET C C 35 174.846 174.846 176.086 -1.240 18749
4695 1 14 . 1 1 35 35 MET CA C 35 55.631 55.631 57.765 -2.134 18749
4696 1 14 . 1 1 35 35 MET CB C 35 33.382 33.382 33.369 0.013 18749
4697 1 14 . 1 1 35 35 MET H H 35 7.585 7.585 7.699 -0.114 18749
4698 1 14 . 1 1 36 36 ASP N N 36 123.631 123.631 113.428 10.203 18749
4699 1 14 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.825 -0.339 18749
4700 1 14 . 1 1 36 36 ASP C C 36 176.456 176.456 174.934 1.522 18749
4701 1 14 . 1 1 36 36 ASP CA C 36 54.279 54.279 53.267 1.012 18749
4702 1 14 . 1 1 36 36 ASP CB C 36 41.156 41.156 41.916 -0.760 18749
4703 1 14 . 1 1 36 36 ASP H H 36 8.360 8.360 7.703 0.657 18749
4704 1 14 . 1 1 37 37 LEU N N 37 123.812 123.812 120.020 3.792 18749
4705 1 14 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.501 -0.198 18749
4706 1 14 . 1 1 37 37 LEU C C 37 177.554 177.554 177.325 0.229 18749
4707 1 14 . 1 1 37 37 LEU CA C 37 55.317 55.317 55.815 -0.497 18749
4708 1 14 . 1 1 37 37 LEU CB C 37 41.945 41.945 41.162 0.783 18749
4709 1 14 . 1 1 37 37 LEU H H 37 8.224 8.224 8.606 -0.382 18749
4710 1 14 . 1 1 38 38 THR N N 38 113.723 113.723 112.069 1.654 18749
4711 1 14 . 1 1 38 38 THR HA H 38 4.153 4.153 4.037 0.116 18749
4712 1 14 . 1 1 38 38 THR C C 38 174.786 174.786 175.182 -0.396 18749
4713 1 14 . 1 1 38 38 THR CA C 38 62.673 62.673 63.797 -1.124 18749
4714 1 14 . 1 1 38 38 THR CB C 38 69.792 69.792 68.886 0.906 18749
4715 1 14 . 1 1 38 38 THR H H 38 8.321 8.321 7.698 0.623 18749
4716 1 14 . 1 1 39 39 TYR N N 39 121.098 121.098 124.768 -3.670 18749
4717 1 14 . 1 1 39 39 TYR C C 39 175.992 175.992 174.600 1.392 18749
4718 1 14 . 1 1 39 39 TYR CA C 39 58.083 58.083 58.502 -0.419 18749
4719 1 14 . 1 1 39 39 TYR CB C 39 38.309 38.309 39.500 -1.191 18749
4720 1 14 . 1 1 39 39 TYR H H 39 7.920 7.920 7.931 -0.011 18749
4721 1 14 . 1 1 40 40 THR N N 40 113.380 113.380 118.389 -5.009 18749
4722 1 14 . 1 1 40 40 THR C C 40 174.356 174.356 173.282 1.074 18749
4723 1 14 . 1 1 40 40 THR CA C 40 61.801 61.801 60.720 1.081 18749
4724 1 14 . 1 1 40 40 THR CB C 40 69.965 69.965 70.698 -0.733 18749
4725 1 14 . 1 1 40 40 THR H H 40 7.885 7.885 7.559 0.326 18749
4726 1 14 . 1 1 41 41 ASP N N 41 121.537 121.537 123.826 -2.289 18749
4727 1 14 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.610 -0.142 18749
4728 1 14 . 1 1 41 41 ASP C C 41 176.338 176.338 175.614 0.724 18749
4729 1 14 . 1 1 41 41 ASP CA C 41 54.674 54.674 53.977 0.697 18749
4730 1 14 . 1 1 41 41 ASP CB C 41 40.996 40.996 41.437 -0.441 18749
4731 1 14 . 1 1 41 41 ASP H H 41 8.184 8.184 8.488 -0.304 18749
4732 1 14 . 1 1 42 42 ARG N N 42 119.745 119.745 124.582 -4.837 18749
4733 1 14 . 1 1 42 42 ARG HA H 42 4.171 4.171 4.274 -0.103 18749
4734 1 14 . 1 1 42 42 ARG C C 42 175.906 175.906 175.713 0.193 18749
4735 1 14 . 1 1 42 42 ARG CA C 42 56.644 56.644 55.880 0.764 18749
4736 1 14 . 1 1 42 42 ARG CB C 42 30.788 30.788 30.951 -0.163 18749
4737 1 14 . 1 1 42 42 ARG H H 42 7.997 7.997 8.243 -0.246 18749
4738 1 14 . 1 1 43 43 ASP N N 43 119.314 119.314 123.609 -4.295 18749
4739 1 14 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.677 -0.174 18749
4740 1 14 . 1 1 43 43 ASP C C 43 175.599 175.599 176.056 -0.457 18749
4741 1 14 . 1 1 43 43 ASP CA C 43 54.368 54.368 54.345 0.023 18749
4742 1 14 . 1 1 43 43 ASP CB C 43 41.071 41.071 41.621 -0.550 18749
4743 1 14 . 1 1 43 43 ASP H H 43 8.181 8.181 8.415 -0.234 18749
4744 1 14 . 1 1 44 44 TYR N N 44 120.178 120.178 122.236 -2.058 18749
4745 1 14 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.396 -0.072 18749
4746 1 14 . 1 1 44 44 TYR C C 44 175.321 175.321 176.694 -1.373 18749
4747 1 14 . 1 1 44 44 TYR CA C 44 58.553 58.553 58.294 0.259 18749
4748 1 14 . 1 1 44 44 TYR CB C 44 38.614 38.614 38.063 0.550 18749
4749 1 14 . 1 1 44 44 TYR H H 44 7.806 7.806 8.837 -1.031 18749
4750 1 14 . 1 1 45 45 LYS N N 45 123.353 123.353 124.994 -1.641 18749
4751 1 14 . 1 1 45 45 LYS CA C 45 55.745 55.745 57.547 -1.802 18749
4752 1 14 . 1 1 45 45 LYS CB C 45 33.789 33.789 32.145 1.644 18749
4753 1 14 . 1 1 45 45 LYS H H 45 7.731 7.731 8.535 -0.804 18749
4754 1 14 . 1 1 47 47 CYS N N 47 125.060 125.060 117.868 7.192 18749
4755 1 14 . 1 1 47 47 CYS H H 47 8.811 8.811 7.708 1.103 18749
4756 1 14 . 1 1 48 48 GLU C C 48 178.473 178.473 175.780 2.693 18749
4757 1 14 . 1 1 49 49 SER N N 49 120.359 120.359 119.296 1.063 18749
4758 1 14 . 1 1 49 49 SER C C 49 172.276 172.276 174.005 -1.729 18749
4759 1 14 . 1 1 49 49 SER CA C 49 61.125 61.125 60.565 0.560 18749
4760 1 14 . 1 1 49 49 SER CB C 49 63.224 63.224 63.679 -0.455 18749
4761 1 14 . 1 1 49 49 SER H H 49 8.737 8.737 8.631 0.106 18749
4762 1 14 . 1 1 50 50 TYR N N 50 110.556 110.556 116.671 -6.115 18749
4763 1 14 . 1 1 50 50 TYR C C 50 175.624 175.624 174.753 0.871 18749
4764 1 14 . 1 1 50 50 TYR CA C 50 59.205 59.205 56.794 2.411 18749
4765 1 14 . 1 1 50 50 TYR CB C 50 38.197 38.197 41.532 -3.335 18749
4766 1 14 . 1 1 50 50 TYR H H 50 6.326 6.326 7.336 -1.010 18749
4767 1 14 . 1 1 51 51 HIS N N 51 119.871 119.871 122.723 -2.852 18749
4768 1 14 . 1 1 51 51 HIS HA H 51 3.757 3.757 4.635 -0.878 18749
4769 1 14 . 1 1 51 51 HIS C C 51 176.588 176.588 175.202 1.386 18749
4770 1 14 . 1 1 51 51 HIS CA C 51 59.323 59.323 55.840 3.483 18749
4771 1 14 . 1 1 51 51 HIS CB C 51 27.514 27.514 27.995 -0.481 18749
4772 1 14 . 1 1 51 51 HIS H H 51 5.890 5.890 8.650 -2.760 18749
4773 1 14 . 1 1 52 52 LYS N N 52 122.505 122.505 121.418 1.087 18749
4774 1 14 . 1 1 52 52 LYS C C 52 178.958 178.958 175.757 3.201 18749
4775 1 14 . 1 1 52 52 LYS CA C 52 58.922 58.922 57.001 1.921 18749
4776 1 14 . 1 1 52 52 LYS CB C 52 31.291 31.291 30.979 0.312 18749
4777 1 14 . 1 1 52 52 LYS H H 52 7.660 7.660 8.201 -0.541 18749
4778 1 14 . 1 1 53 53 CYS N N 53 117.268 117.268 121.962 -4.694 18749
4779 1 14 . 1 1 53 53 CYS C C 53 179.241 179.241 176.616 2.625 18749
4780 1 14 . 1 1 53 53 CYS CA C 53 64.802 64.802 60.350 4.452 18749
4781 1 14 . 1 1 53 53 CYS CB C 53 30.906 30.906 28.185 2.721 18749
4782 1 14 . 1 1 53 53 CYS H H 53 8.256 8.256 8.628 -0.372 18749
4783 1 14 . 1 1 54 54 SER N N 54 111.716 111.716 115.735 -4.019 18749
4784 1 14 . 1 1 54 54 SER HA H 54 3.839 3.839 4.224 -0.385 18749
4785 1 14 . 1 1 54 54 SER C C 54 175.922 175.922 173.672 2.250 18749
4786 1 14 . 1 1 54 54 SER CA C 54 60.263 60.263 60.648 -0.385 18749
4787 1 14 . 1 1 54 54 SER CB C 54 64.120 64.120 63.237 0.883 18749
4788 1 14 . 1 1 54 54 SER H H 54 7.671 7.671 8.304 -0.633 18749
4789 1 14 . 1 1 55 55 ASP N N 55 119.056 119.056 116.741 2.315 18749
4790 1 14 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.456 -0.161 18749
4791 1 14 . 1 1 55 55 ASP C C 55 178.101 178.101 175.309 2.792 18749
4792 1 14 . 1 1 55 55 ASP CA C 55 57.387 57.387 54.719 2.667 18749
4793 1 14 . 1 1 55 55 ASP CB C 55 40.315 40.315 39.356 0.959 18749
4794 1 14 . 1 1 55 55 ASP H H 55 7.438 7.438 8.404 -0.966 18749
4795 1 14 . 1 1 56 56 LEU N N 56 118.324 118.324 113.146 5.178 18749
4796 1 14 . 1 1 56 56 LEU HA H 56 4.168 4.168 4.453 -0.285 18749
4797 1 14 . 1 1 56 56 LEU C C 56 176.250 176.250 175.489 0.761 18749
4798 1 14 . 1 1 56 56 LEU CA C 56 55.333 55.333 55.441 -0.108 18749
4799 1 14 . 1 1 56 56 LEU CB C 56 43.173 43.173 42.705 0.468 18749
4800 1 14 . 1 1 56 56 LEU H H 56 7.565 7.565 7.948 -0.383 18749
4801 1 14 . 1 1 57 57 CYS N N 57 124.095 124.095 121.691 2.404 18749
4802 1 14 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.782 -0.527 18749
4803 1 14 . 1 1 57 57 CYS C C 57 177.371 177.371 175.473 1.898 18749
4804 1 14 . 1 1 57 57 CYS CA C 57 59.255 59.255 58.341 0.914 18749
4805 1 14 . 1 1 57 57 CYS CB C 57 30.128 30.128 28.875 1.253 18749
4806 1 14 . 1 1 57 57 CYS H H 57 7.265 7.265 7.863 -0.598 18749
4807 1 14 . 1 1 58 58 GLN N N 58 131.839 131.839 125.313 6.526 18749
4808 1 14 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.196 -0.273 18749
4809 1 14 . 1 1 58 58 GLN C C 58 178.435 178.435 178.089 0.346 18749
4810 1 14 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.469 0.819 18749
4811 1 14 . 1 1 58 58 GLN CB C 58 28.195 28.195 29.095 -0.900 18749
4812 1 14 . 1 1 58 58 GLN H H 58 9.451 9.451 8.874 0.577 18749
4813 1 14 . 1 1 59 59 TYR N N 59 124.026 124.026 120.538 3.488 18749
4814 1 14 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.573 -0.144 18749
4815 1 14 . 1 1 59 59 TYR C C 59 178.722 178.722 177.122 1.600 18749
4816 1 14 . 1 1 59 59 TYR CA C 59 60.295 60.295 61.577 -1.282 18749
4817 1 14 . 1 1 59 59 TYR CB C 59 38.591 38.591 38.804 -0.213 18749
4818 1 14 . 1 1 59 59 TYR H H 59 8.699 8.699 8.385 0.314 18749
4819 1 14 . 1 1 60 60 CYS N N 60 122.268 122.268 117.596 4.672 18749
4820 1 14 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.629 -0.312 18749
4821 1 14 . 1 1 60 60 CYS C C 60 176.011 176.011 176.922 -0.911 18749
4822 1 14 . 1 1 60 60 CYS CA C 60 64.499 64.499 61.210 3.289 18749
4823 1 14 . 1 1 60 60 CYS CB C 60 30.203 30.203 25.836 4.367 18749
4824 1 14 . 1 1 60 60 CYS H H 60 8.432 8.432 7.948 0.484 18749
4825 1 14 . 1 1 61 61 ARG N N 61 116.449 116.449 119.254 -2.805 18749
4826 1 14 . 1 1 61 61 ARG HA H 61 3.895 3.895 3.864 0.031 18749
4827 1 14 . 1 1 61 61 ARG C C 61 176.965 176.965 177.998 -1.033 18749
4828 1 14 . 1 1 61 61 ARG CA C 61 58.336 58.336 59.367 -1.031 18749
4829 1 14 . 1 1 61 61 ARG CB C 61 29.771 29.771 29.909 -0.138 18749
4830 1 14 . 1 1 61 61 ARG H H 61 7.265 7.265 7.576 -0.311 18749
4831 1 14 . 1 1 62 62 TYR N N 62 117.341 117.341 115.526 1.815 18749
4832 1 14 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.467 0.002 18749
4833 1 14 . 1 1 62 62 TYR C C 62 175.562 175.562 177.118 -1.556 18749
4834 1 14 . 1 1 62 62 TYR CA C 62 58.566 58.566 59.526 -0.960 18749
4835 1 14 . 1 1 62 62 TYR CB C 62 39.182 39.182 39.563 -0.381 18749
4836 1 14 . 1 1 62 62 TYR H H 62 7.259 7.259 7.398 -0.139 18749
4837 1 14 . 1 1 63 63 GLN N N 63 121.663 121.663 117.711 3.952 18749
4838 1 14 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.620 -0.410 18749
4839 1 14 . 1 1 63 63 GLN C C 63 173.076 173.076 174.966 -1.890 18749
4840 1 14 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.814 -0.322 18749
4841 1 14 . 1 1 63 63 GLN CB C 63 29.401 29.401 32.028 -2.627 18749
4842 1 14 . 1 1 63 63 GLN H H 63 7.856 7.856 7.858 -0.002 18749
4843 1 14 . 1 1 64 64 LYS N N 64 127.668 127.668 125.377 2.291 18749
4844 1 14 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.165 0.136 18749
4845 1 14 . 1 1 64 64 LYS C C 64 177.301 177.301 175.961 1.340 18749
4846 1 14 . 1 1 64 64 LYS CA C 64 58.182 58.182 57.264 0.918 18749
4847 1 14 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.473 0.041 18749
4848 1 14 . 1 1 64 64 LYS H H 64 8.204 8.204 8.714 -0.510 18749
4849 1 14 . 1 1 65 65 ASP N N 65 131.040 131.040 123.763 7.277 18749
4850 1 14 . 1 1 65 65 ASP C C 65 174.529 174.529 177.064 -2.535 18749
4851 1 14 . 1 1 65 65 ASP CA C 65 53.232 53.232 54.102 -0.871 18749
4852 1 14 . 1 1 65 65 ASP CB C 65 41.222 41.222 41.167 0.055 18749
4853 1 14 . 1 1 65 65 ASP H H 65 8.677 8.677 8.502 0.175 18749
4854 1 14 . 1 1 66 66 LEU N N 66 125.688 125.688 121.621 4.067 18749
4855 1 14 . 1 1 66 66 LEU HA H 66 4.088 4.088 4.013 0.075 18749
4856 1 14 . 1 1 66 66 LEU C C 66 178.676 178.676 178.323 0.353 18749
4857 1 14 . 1 1 66 66 LEU CA C 66 57.836 57.836 57.195 0.641 18749
4858 1 14 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.344 1.852 18749
4859 1 14 . 1 1 66 66 LEU H H 66 8.733 8.733 8.212 0.521 18749
4860 1 14 . 1 1 67 67 ALA N N 67 119.916 119.916 122.228 -2.312 18749
4861 1 14 . 1 1 67 67 ALA C C 67 180.513 180.513 178.737 1.776 18749
4862 1 14 . 1 1 67 67 ALA CA C 67 55.151 55.151 54.681 0.470 18749
4863 1 14 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.499 -0.381 18749
4864 1 14 . 1 1 67 67 ALA H H 67 8.076 8.076 7.803 0.273 18749
4865 1 14 . 1 1 68 68 ILE N N 68 119.735 119.735 115.143 4.592 18749
4866 1 14 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.623 0.036 18749
4867 1 14 . 1 1 68 68 ILE C C 68 177.647 177.647 177.134 0.513 18749
4868 1 14 . 1 1 68 68 ILE CA C 68 63.267 63.267 64.167 -0.900 18749
4869 1 14 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.431 -0.093 18749
4870 1 14 . 1 1 68 68 ILE H H 68 7.342 7.342 7.273 0.069 18749
4871 1 14 . 1 1 69 69 HIS N N 69 119.542 119.542 118.985 0.557 18749
4872 1 14 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.223 0.080 18749
4873 1 14 . 1 1 69 69 HIS CA C 69 59.224 59.224 58.322 0.902 18749
4874 1 14 . 1 1 69 69 HIS CB C 69 28.569 28.569 30.260 -1.691 18749
4875 1 14 . 1 1 69 69 HIS H H 69 6.608 6.608 8.073 -1.465 18749
4876 1 14 . 1 1 84 84 GLY C C 84 174.391 174.391 175.155 -0.764 18749
4877 1 14 . 1 1 84 84 GLY CA C 84 45.472 45.472 44.732 0.740 18749
4878 1 14 . 1 1 85 85 THR N N 85 112.734 112.734 114.024 -1.290 18749
4879 1 14 . 1 1 85 85 THR C C 85 175.056 175.056 176.667 -1.611 18749
4880 1 14 . 1 1 85 85 THR CA C 85 61.980 61.980 63.398 -1.418 18749
4881 1 14 . 1 1 85 85 THR CB C 85 69.868 69.868 69.095 0.773 18749
4882 1 14 . 1 1 85 85 THR H H 85 8.012 8.012 8.153 -0.141 18749
4883 1 14 . 1 1 86 86 GLY N N 86 111.173 111.173 110.100 1.073 18749
4884 1 14 . 1 1 86 86 GLY C C 86 172.909 172.909 174.113 -1.204 18749
4885 1 14 . 1 1 86 86 GLY CA C 86 45.268 45.268 45.728 -0.460 18749
4886 1 14 . 1 1 86 86 GLY H H 86 8.276 8.276 8.381 -0.105 18749
4887 1 15 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.685 -0.294 18749
4888 1 15 . 1 1 4 4 PRO C C 4 176.097 176.097 176.126 -0.029 18749
4889 1 15 . 1 1 4 4 PRO CA C 4 62.965 62.965 63.270 -0.305 18749
4890 1 15 . 1 1 4 4 PRO CB C 4 31.902 31.902 32.593 -0.691 18749
4891 1 15 . 1 1 5 5 VAL N N 5 121.993 121.993 119.828 2.165 18749
4892 1 15 . 1 1 5 5 VAL HA H 5 4.341 4.341 4.426 -0.085 18749
4893 1 15 . 1 1 5 5 VAL CA C 5 59.763 59.763 59.624 0.139 18749
4894 1 15 . 1 1 5 5 VAL CB C 5 32.567 32.567 32.937 -0.370 18749
4895 1 15 . 1 1 5 5 VAL H H 5 8.149 8.149 8.049 0.100 18749
4896 1 15 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.273 -0.017 18749
4897 1 15 . 1 1 6 6 PRO C C 6 176.167 176.167 177.001 -0.834 18749
4898 1 15 . 1 1 6 6 PRO CA C 6 63.138 63.138 63.942 -0.804 18749
4899 1 15 . 1 1 6 6 PRO CB C 6 31.877 31.877 31.954 -0.077 18749
4900 1 15 . 1 1 7 7 TYR N N 7 121.107 121.107 118.823 2.284 18749
4901 1 15 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.522 -0.079 18749
4902 1 15 . 1 1 7 7 TYR CA C 7 55.602 55.602 56.905 -1.303 18749
4903 1 15 . 1 1 7 7 TYR CB C 7 38.212 38.212 38.148 0.064 18749
4904 1 15 . 1 1 7 7 TYR H H 7 7.945 7.945 8.027 -0.082 18749
4905 1 15 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.431 -0.143 18749
4906 1 15 . 1 1 8 8 PRO C C 8 176.122 176.122 175.863 0.259 18749
4907 1 15 . 1 1 8 8 PRO CA C 8 62.983 62.983 63.271 -0.288 18749
4908 1 15 . 1 1 8 8 PRO CB C 8 31.913 31.913 32.216 -0.303 18749
4909 1 15 . 1 1 9 9 ASP N N 9 122.332 122.332 119.866 2.466 18749
4910 1 15 . 1 1 9 9 ASP HA H 9 4.466 4.466 4.522 -0.056 18749
4911 1 15 . 1 1 9 9 ASP CA C 9 52.317 52.317 54.027 -1.710 18749
4912 1 15 . 1 1 9 9 ASP CB C 9 41.371 41.371 40.758 0.613 18749
4913 1 15 . 1 1 9 9 ASP H H 9 8.204 8.204 8.384 -0.180 18749
4914 1 15 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.504 -0.195 18749
4915 1 15 . 1 1 10 10 PRO C C 10 177.003 177.003 177.186 -0.183 18749
4916 1 15 . 1 1 10 10 PRO CA C 10 63.635 63.635 63.754 -0.119 18749
4917 1 15 . 1 1 10 10 PRO CB C 10 32.207 32.207 32.004 0.203 18749
4918 1 15 . 1 1 11 11 LEU N N 11 120.566 120.566 117.991 2.575 18749
4919 1 15 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.228 -0.007 18749
4920 1 15 . 1 1 11 11 LEU C C 11 177.277 177.277 176.983 0.294 18749
4921 1 15 . 1 1 11 11 LEU CA C 11 54.938 54.938 55.697 -0.758 18749
4922 1 15 . 1 1 11 11 LEU CB C 11 41.908 41.908 42.276 -0.368 18749
4923 1 15 . 1 1 11 11 LEU H H 11 8.295 8.295 7.592 0.703 18749
4924 1 15 . 1 1 12 12 GLU N N 12 122.415 122.415 115.018 7.397 18749
4925 1 15 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.226 0.158 18749
4926 1 15 . 1 1 12 12 GLU CA C 12 54.384 54.384 56.690 -2.306 18749
4927 1 15 . 1 1 12 12 GLU CB C 12 29.988 29.988 27.588 2.400 18749
4928 1 15 . 1 1 12 12 GLU H H 12 7.857 7.857 7.930 -0.073 18749
4929 1 15 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.308 -0.059 18749
4930 1 15 . 1 1 13 13 PRO C C 13 177.132 177.132 178.013 -0.881 18749
4931 1 15 . 1 1 13 13 PRO CA C 13 63.458 63.458 65.513 -2.055 18749
4932 1 15 . 1 1 13 13 PRO CB C 13 31.862 31.862 31.814 0.048 18749
4933 1 15 . 1 1 14 14 ARG N N 14 121.214 121.214 116.759 4.455 18749
4934 1 15 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.179 -0.020 18749
4935 1 15 . 1 1 14 14 ARG CA C 14 56.162 56.162 57.968 -1.806 18749
4936 1 15 . 1 1 14 14 ARG CB C 14 30.632 30.632 29.673 0.959 18749
4937 1 15 . 1 1 14 14 ARG H H 14 8.337 8.337 8.441 -0.104 18749
4938 1 15 . 1 1 15 15 GLY N N 15 109.686 109.686 104.864 4.822 18749
4939 1 15 . 1 1 15 15 GLY C C 15 174.130 174.130 174.843 -0.713 18749
4940 1 15 . 1 1 15 15 GLY CA C 15 45.312 45.312 45.324 -0.012 18749
4941 1 15 . 1 1 15 15 GLY H H 15 8.280 8.280 7.519 0.760 18749
4942 1 15 . 1 1 16 16 GLY N N 16 108.011 108.011 109.749 -1.738 18749
4943 1 15 . 1 1 16 16 GLY C C 16 172.056 172.056 175.635 -3.579 18749
4944 1 15 . 1 1 16 16 GLY CA C 16 44.895 44.895 45.026 -0.131 18749
4945 1 15 . 1 1 16 16 GLY H H 16 7.764 7.764 7.655 0.109 18749
4946 1 15 . 1 1 17 17 LYS N N 17 117.049 117.049 124.382 -7.333 18749
4947 1 15 . 1 1 17 17 LYS HA H 17 4.135 4.135 3.984 0.151 18749
4948 1 15 . 1 1 17 17 LYS C C 17 175.259 175.259 177.350 -2.091 18749
4949 1 15 . 1 1 17 17 LYS CA C 17 53.914 53.914 59.291 -5.377 18749
4950 1 15 . 1 1 17 17 LYS CB C 17 35.219 35.219 32.566 2.653 18749
4951 1 15 . 1 1 17 17 LYS H H 17 7.347 7.347 8.634 -1.287 18749
4952 1 15 . 1 1 18 18 HIS N N 18 120.426 120.426 116.088 4.338 18749
4953 1 15 . 1 1 18 18 HIS C C 18 175.419 175.419 174.979 0.440 18749
4954 1 15 . 1 1 18 18 HIS CA C 18 57.086 57.086 57.700 -0.614 18749
4955 1 15 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.238 0.254 18749
4956 1 15 . 1 1 19 19 ILE N N 19 126.193 126.193 117.016 9.177 18749
4957 1 15 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.430 0.024 18749
4958 1 15 . 1 1 19 19 ILE C C 19 175.138 175.138 175.163 -0.025 18749
4959 1 15 . 1 1 19 19 ILE CA C 19 59.189 59.189 59.778 -0.589 18749
4960 1 15 . 1 1 19 19 ILE CB C 19 41.816 41.816 39.107 2.709 18749
4961 1 15 . 1 1 19 19 ILE H H 19 8.180 8.180 7.082 1.098 18749
4962 1 15 . 1 1 20 20 CYS N N 20 127.805 127.805 127.021 0.784 18749
4963 1 15 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.533 0.382 18749
4964 1 15 . 1 1 20 20 CYS C C 20 174.996 174.996 176.002 -1.006 18749
4965 1 15 . 1 1 20 20 CYS CA C 20 57.370 57.370 58.600 -1.230 18749
4966 1 15 . 1 1 20 20 CYS CB C 20 32.008 32.008 29.404 2.604 18749
4967 1 15 . 1 1 20 20 CYS H H 20 8.382 8.382 8.856 -0.474 18749
4968 1 15 . 1 1 21 21 ALA N N 21 135.406 135.406 129.164 6.242 18749
4969 1 15 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.138 0.025 18749
4970 1 15 . 1 1 21 21 ALA C C 21 177.885 177.885 177.553 0.332 18749
4971 1 15 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.164 0.327 18749
4972 1 15 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.884 0.740 18749
4973 1 15 . 1 1 21 21 ALA H H 21 8.742 8.742 8.786 -0.044 18749
4974 1 15 . 1 1 22 22 ILE N N 22 119.063 119.063 116.458 2.605 18749
4975 1 15 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.162 -0.301 18749
4976 1 15 . 1 1 22 22 ILE C C 22 176.914 176.914 177.035 -0.121 18749
4977 1 15 . 1 1 22 22 ILE CA C 22 63.218 63.218 62.323 0.895 18749
4978 1 15 . 1 1 22 22 ILE CB C 22 37.371 37.371 39.397 -2.026 18749
4979 1 15 . 1 1 22 22 ILE H H 22 8.150 8.150 7.468 0.682 18749
4980 1 15 . 1 1 23 23 CYS N N 23 114.362 114.362 117.110 -2.748 18749
4981 1 15 . 1 1 23 23 CYS C C 23 176.216 176.216 175.736 0.480 18749
4982 1 15 . 1 1 23 23 CYS CA C 23 57.878 57.878 58.909 -1.031 18749
4983 1 15 . 1 1 23 23 CYS CB C 23 30.456 30.456 26.400 4.056 18749
4984 1 15 . 1 1 23 23 CYS H H 23 7.238 7.238 8.299 -1.061 18749
4985 1 15 . 1 1 24 24 GLY N N 24 111.898 111.898 106.465 5.433 18749
4986 1 15 . 1 1 24 24 GLY C C 24 173.367 173.367 174.067 -0.700 18749
4987 1 15 . 1 1 24 24 GLY CA C 24 46.222 46.222 46.550 -0.328 18749
4988 1 15 . 1 1 24 24 GLY H H 24 7.566 7.566 8.555 -0.989 18749
4989 1 15 . 1 1 25 25 ASN N N 25 117.684 117.684 115.445 2.239 18749
4990 1 15 . 1 1 25 25 ASN HA H 25 4.763 4.763 5.085 -0.322 18749
4991 1 15 . 1 1 25 25 ASN C C 25 174.631 174.631 174.396 0.235 18749
4992 1 15 . 1 1 25 25 ASN CA C 25 51.901 51.901 53.211 -1.310 18749
4993 1 15 . 1 1 25 25 ASN CB C 25 40.666 40.666 39.992 0.674 18749
4994 1 15 . 1 1 25 25 ASN H H 25 7.781 7.781 8.546 -0.765 18749
4995 1 15 . 1 1 26 26 ASN N N 26 118.294 118.294 117.708 0.586 18749
4996 1 15 . 1 1 26 26 ASN HA H 26 4.570 4.570 4.926 -0.356 18749
4997 1 15 . 1 1 26 26 ASN C C 26 175.502 175.502 175.135 0.367 18749
4998 1 15 . 1 1 26 26 ASN CA C 26 53.980 53.980 53.692 0.288 18749
4999 1 15 . 1 1 26 26 ASN CB C 26 38.066 38.066 38.393 -0.327 18749
5000 1 15 . 1 1 26 26 ASN H H 26 8.562 8.562 8.493 0.069 18749
5001 1 15 . 1 1 27 27 ALA N N 27 126.538 126.538 122.613 3.925 18749
5002 1 15 . 1 1 27 27 ALA C C 27 177.920 177.920 175.832 2.088 18749
5003 1 15 . 1 1 27 27 ALA CA C 27 53.567 53.567 52.106 1.461 18749
5004 1 15 . 1 1 27 27 ALA CB C 27 18.852 18.852 17.120 1.732 18749
5005 1 15 . 1 1 27 27 ALA H H 27 8.217 8.217 8.381 -0.164 18749
5006 1 15 . 1 1 28 28 GLU N N 28 112.911 112.911 119.265 -6.354 18749
5007 1 15 . 1 1 28 28 GLU HA H 28 4.099 4.099 4.423 -0.324 18749
5008 1 15 . 1 1 28 28 GLU C C 28 177.423 177.423 176.153 1.270 18749
5009 1 15 . 1 1 28 28 GLU CA C 28 57.783 57.783 57.000 0.783 18749
5010 1 15 . 1 1 28 28 GLU CB C 28 30.926 30.926 31.841 -0.915 18749
5011 1 15 . 1 1 28 28 GLU H H 28 8.608 8.608 8.047 0.561 18749
5012 1 15 . 1 1 29 29 ASP N N 29 116.209 116.209 118.259 -2.050 18749
5013 1 15 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.613 -0.179 18749
5014 1 15 . 1 1 29 29 ASP C C 29 174.486 174.486 175.546 -1.060 18749
5015 1 15 . 1 1 29 29 ASP CA C 29 55.349 55.349 54.654 0.695 18749
5016 1 15 . 1 1 29 29 ASP CB C 29 42.596 42.596 42.518 0.078 18749
5017 1 15 . 1 1 29 29 ASP H H 29 7.272 7.272 7.977 -0.705 18749
5018 1 15 . 1 1 30 30 TYR N N 30 116.344 116.344 121.787 -5.443 18749
5019 1 15 . 1 1 30 30 TYR CA C 30 57.018 57.018 58.589 -1.571 18749
5020 1 15 . 1 1 30 30 TYR CB C 30 43.459 43.459 39.216 4.243 18749
5021 1 15 . 1 1 30 30 TYR H H 30 7.281 7.281 8.208 -0.927 18749
5022 1 15 . 1 1 31 31 LYS C C 31 177.018 177.018 176.034 0.984 18749
5023 1 15 . 1 1 32 32 HIS N N 32 116.170 116.170 117.934 -1.764 18749
5024 1 15 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.523 -0.721 18749
5025 1 15 . 1 1 32 32 HIS C C 32 173.979 173.979 176.759 -2.780 18749
5026 1 15 . 1 1 32 32 HIS CA C 32 55.136 55.136 59.562 -4.426 18749
5027 1 15 . 1 1 32 32 HIS CB C 32 33.128 33.128 30.830 2.298 18749
5028 1 15 . 1 1 32 32 HIS H H 32 7.691 7.691 8.613 -0.922 18749
5029 1 15 . 1 1 33 33 THR N N 33 108.605 108.605 107.425 1.180 18749
5030 1 15 . 1 1 33 33 THR HA H 33 4.424 4.424 4.422 0.002 18749
5031 1 15 . 1 1 33 33 THR C C 33 175.107 175.107 175.374 -0.267 18749
5032 1 15 . 1 1 33 33 THR CA C 33 60.218 60.218 62.966 -2.748 18749
5033 1 15 . 1 1 33 33 THR CB C 33 69.476 69.476 69.274 0.202 18749
5034 1 15 . 1 1 33 33 THR H H 33 8.051 8.051 8.333 -0.282 18749
5035 1 15 . 1 1 34 34 ASP N N 34 121.404 121.404 120.839 0.565 18749
5036 1 15 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.495 0.095 18749
5037 1 15 . 1 1 34 34 ASP C C 34 175.334 175.334 177.083 -1.749 18749
5038 1 15 . 1 1 34 34 ASP CA C 34 53.564 53.564 56.498 -2.934 18749
5039 1 15 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.584 -0.164 18749
5040 1 15 . 1 1 34 34 ASP H H 34 7.973 7.973 8.187 -0.214 18749
5041 1 15 . 1 1 35 35 MET N N 35 119.898 119.898 117.018 2.880 18749
5042 1 15 . 1 1 35 35 MET HA H 35 4.398 4.398 4.250 0.148 18749
5043 1 15 . 1 1 35 35 MET C C 35 174.846 174.846 176.723 -1.877 18749
5044 1 15 . 1 1 35 35 MET CA C 35 55.631 55.631 57.739 -2.108 18749
5045 1 15 . 1 1 35 35 MET CB C 35 33.382 33.382 33.399 -0.017 18749
5046 1 15 . 1 1 35 35 MET H H 35 7.585 7.585 7.578 0.007 18749
5047 1 15 . 1 1 36 36 ASP N N 36 123.631 123.631 116.209 7.422 18749
5048 1 15 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.791 -0.305 18749
5049 1 15 . 1 1 36 36 ASP C C 36 176.456 176.456 174.378 2.078 18749
5050 1 15 . 1 1 36 36 ASP CA C 36 54.279 54.279 53.621 0.658 18749
5051 1 15 . 1 1 36 36 ASP CB C 36 41.156 41.156 42.887 -1.731 18749
5052 1 15 . 1 1 36 36 ASP H H 36 8.360 8.360 7.766 0.594 18749
5053 1 15 . 1 1 37 37 LEU N N 37 123.812 123.812 123.599 0.213 18749
5054 1 15 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.473 -0.170 18749
5055 1 15 . 1 1 37 37 LEU C C 37 177.554 177.554 176.980 0.574 18749
5056 1 15 . 1 1 37 37 LEU CA C 37 55.317 55.317 55.158 0.159 18749
5057 1 15 . 1 1 37 37 LEU CB C 37 41.945 41.945 42.745 -0.800 18749
5058 1 15 . 1 1 37 37 LEU H H 37 8.224 8.224 8.320 -0.096 18749
5059 1 15 . 1 1 38 38 THR N N 38 113.723 113.723 115.229 -1.506 18749
5060 1 15 . 1 1 38 38 THR HA H 38 4.153 4.153 4.381 -0.228 18749
5061 1 15 . 1 1 38 38 THR C C 38 174.786 174.786 174.356 0.430 18749
5062 1 15 . 1 1 38 38 THR CA C 38 62.673 62.673 62.696 -0.023 18749
5063 1 15 . 1 1 38 38 THR CB C 38 69.792 69.792 69.165 0.627 18749
5064 1 15 . 1 1 38 38 THR H H 38 8.321 8.321 8.126 0.195 18749
5065 1 15 . 1 1 39 39 TYR N N 39 121.098 121.098 128.802 -7.704 18749
5066 1 15 . 1 1 39 39 TYR C C 39 175.992 175.992 175.608 0.384 18749
5067 1 15 . 1 1 39 39 TYR CA C 39 58.083 58.083 60.615 -2.533 18749
5068 1 15 . 1 1 39 39 TYR CB C 39 38.309 38.309 38.526 -0.217 18749
5069 1 15 . 1 1 39 39 TYR H H 39 7.920 7.920 8.884 -0.964 18749
5070 1 15 . 1 1 40 40 THR N N 40 113.380 113.380 116.495 -3.115 18749
5071 1 15 . 1 1 40 40 THR C C 40 174.356 174.356 173.932 0.424 18749
5072 1 15 . 1 1 40 40 THR CA C 40 61.801 61.801 63.499 -1.698 18749
5073 1 15 . 1 1 40 40 THR CB C 40 69.965 69.965 69.242 0.723 18749
5074 1 15 . 1 1 40 40 THR H H 40 7.885 7.885 7.914 -0.029 18749
5075 1 15 . 1 1 41 41 ASP N N 41 121.537 121.537 124.040 -2.503 18749
5076 1 15 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.672 -0.204 18749
5077 1 15 . 1 1 41 41 ASP C C 41 176.338 176.338 176.305 0.033 18749
5078 1 15 . 1 1 41 41 ASP CA C 41 54.674 54.674 53.750 0.924 18749
5079 1 15 . 1 1 41 41 ASP CB C 41 40.996 40.996 41.908 -0.913 18749
5080 1 15 . 1 1 41 41 ASP H H 41 8.184 8.184 8.412 -0.228 18749
5081 1 15 . 1 1 42 42 ARG N N 42 119.745 119.745 120.051 -0.306 18749
5082 1 15 . 1 1 42 42 ARG HA H 42 4.171 4.171 4.069 0.102 18749
5083 1 15 . 1 1 42 42 ARG C C 42 175.906 175.906 176.424 -0.518 18749
5084 1 15 . 1 1 42 42 ARG CA C 42 56.644 56.644 56.922 -0.278 18749
5085 1 15 . 1 1 42 42 ARG CB C 42 30.788 30.788 30.352 0.436 18749
5086 1 15 . 1 1 42 42 ARG H H 42 7.997 7.997 7.928 0.069 18749
5087 1 15 . 1 1 43 43 ASP N N 43 119.314 119.314 118.959 0.355 18749
5088 1 15 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.421 0.082 18749
5089 1 15 . 1 1 43 43 ASP C C 43 175.599 175.599 176.075 -0.476 18749
5090 1 15 . 1 1 43 43 ASP CA C 43 54.368 54.368 54.082 0.286 18749
5091 1 15 . 1 1 43 43 ASP CB C 43 41.071 41.071 41.366 -0.295 18749
5092 1 15 . 1 1 43 43 ASP H H 43 8.181 8.181 7.737 0.444 18749
5093 1 15 . 1 1 44 44 TYR N N 44 120.178 120.178 122.227 -2.049 18749
5094 1 15 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.448 -0.124 18749
5095 1 15 . 1 1 44 44 TYR C C 44 175.321 175.321 177.674 -2.353 18749
5096 1 15 . 1 1 44 44 TYR CA C 44 58.553 58.553 58.691 -0.138 18749
5097 1 15 . 1 1 44 44 TYR CB C 44 38.614 38.614 38.910 -0.296 18749
5098 1 15 . 1 1 44 44 TYR H H 44 7.806 7.806 8.712 -0.906 18749
5099 1 15 . 1 1 45 45 LYS N N 45 123.353 123.353 122.000 1.353 18749
5100 1 15 . 1 1 45 45 LYS CA C 45 55.745 55.745 58.099 -2.354 18749
5101 1 15 . 1 1 45 45 LYS CB C 45 33.789 33.789 32.862 0.927 18749
5102 1 15 . 1 1 45 45 LYS H H 45 7.731 7.731 8.531 -0.800 18749
5103 1 15 . 1 1 47 47 CYS N N 47 125.060 125.060 122.651 2.409 18749
5104 1 15 . 1 1 47 47 CYS H H 47 8.811 8.811 8.658 0.153 18749
5105 1 15 . 1 1 48 48 GLU C C 48 178.473 178.473 174.917 3.556 18749
5106 1 15 . 1 1 49 49 SER N N 49 120.359 120.359 115.802 4.557 18749
5107 1 15 . 1 1 49 49 SER C C 49 172.276 172.276 172.805 -0.529 18749
5108 1 15 . 1 1 49 49 SER CA C 49 61.125 61.125 57.790 3.335 18749
5109 1 15 . 1 1 49 49 SER CB C 49 63.224 63.224 65.196 -1.972 18749
5110 1 15 . 1 1 49 49 SER H H 49 8.737 8.737 8.573 0.164 18749
5111 1 15 . 1 1 50 50 TYR N N 50 110.556 110.556 119.710 -9.154 18749
5112 1 15 . 1 1 50 50 TYR C C 50 175.624 175.624 174.723 0.901 18749
5113 1 15 . 1 1 50 50 TYR CA C 50 59.205 59.205 58.871 0.334 18749
5114 1 15 . 1 1 50 50 TYR CB C 50 38.197 38.197 41.134 -2.937 18749
5115 1 15 . 1 1 50 50 TYR H H 50 6.326 6.326 8.928 -2.602 18749
5116 1 15 . 1 1 51 51 HIS N N 51 119.871 119.871 118.892 0.979 18749
5117 1 15 . 1 1 51 51 HIS HA H 51 3.757 3.757 4.871 -1.114 18749
5118 1 15 . 1 1 51 51 HIS C C 51 176.588 176.588 174.002 2.586 18749
5119 1 15 . 1 1 51 51 HIS CA C 51 59.323 59.323 55.900 3.423 18749
5120 1 15 . 1 1 51 51 HIS CB C 51 27.514 27.514 31.364 -3.850 18749
5121 1 15 . 1 1 51 51 HIS H H 51 5.890 5.890 7.889 -1.999 18749
5122 1 15 . 1 1 52 52 LYS N N 52 122.505 122.505 126.279 -3.774 18749
5123 1 15 . 1 1 52 52 LYS C C 52 178.958 178.958 176.352 2.606 18749
5124 1 15 . 1 1 52 52 LYS CA C 52 58.922 58.922 56.717 2.205 18749
5125 1 15 . 1 1 52 52 LYS CB C 52 31.291 31.291 30.557 0.734 18749
5126 1 15 . 1 1 52 52 LYS H H 52 7.660 7.660 8.710 -1.050 18749
5127 1 15 . 1 1 53 53 CYS N N 53 117.268 117.268 119.689 -2.421 18749
5128 1 15 . 1 1 53 53 CYS C C 53 179.241 179.241 175.657 3.584 18749
5129 1 15 . 1 1 53 53 CYS CA C 53 64.802 64.802 61.572 3.230 18749
5130 1 15 . 1 1 53 53 CYS CB C 53 30.906 30.906 28.360 2.546 18749
5131 1 15 . 1 1 53 53 CYS H H 53 8.256 8.256 8.409 -0.153 18749
5132 1 15 . 1 1 54 54 SER N N 54 111.716 111.716 115.936 -4.220 18749
5133 1 15 . 1 1 54 54 SER HA H 54 3.839 3.839 4.611 -0.772 18749
5134 1 15 . 1 1 54 54 SER C C 54 175.922 175.922 173.763 2.159 18749
5135 1 15 . 1 1 54 54 SER CA C 54 60.263 60.263 57.906 2.357 18749
5136 1 15 . 1 1 54 54 SER CB C 54 64.120 64.120 62.911 1.209 18749
5137 1 15 . 1 1 54 54 SER H H 54 7.671 7.671 8.382 -0.711 18749
5138 1 15 . 1 1 55 55 ASP N N 55 119.056 119.056 124.865 -5.809 18749
5139 1 15 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.339 -0.044 18749
5140 1 15 . 1 1 55 55 ASP C C 55 178.101 178.101 177.712 0.389 18749
5141 1 15 . 1 1 55 55 ASP CA C 55 57.387 57.387 56.745 0.642 18749
5142 1 15 . 1 1 55 55 ASP CB C 55 40.315 40.315 40.672 -0.357 18749
5143 1 15 . 1 1 55 55 ASP H H 55 7.438 7.438 8.404 -0.966 18749
5144 1 15 . 1 1 56 56 LEU N N 56 118.324 118.324 118.402 -0.078 18749
5145 1 15 . 1 1 56 56 LEU HA H 56 4.168 4.168 4.210 -0.042 18749
5146 1 15 . 1 1 56 56 LEU C C 56 176.250 176.250 177.380 -1.130 18749
5147 1 15 . 1 1 56 56 LEU CA C 56 55.333 55.333 55.951 -0.618 18749
5148 1 15 . 1 1 56 56 LEU CB C 56 43.173 43.173 42.072 1.101 18749
5149 1 15 . 1 1 56 56 LEU H H 56 7.565 7.565 7.641 -0.076 18749
5150 1 15 . 1 1 57 57 CYS N N 57 124.095 124.095 118.505 5.590 18749
5151 1 15 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.647 -0.392 18749
5152 1 15 . 1 1 57 57 CYS C C 57 177.371 177.371 175.315 2.056 18749
5153 1 15 . 1 1 57 57 CYS CA C 57 59.255 59.255 58.072 1.183 18749
5154 1 15 . 1 1 57 57 CYS CB C 57 30.128 30.128 27.137 2.991 18749
5155 1 15 . 1 1 57 57 CYS H H 57 7.265 7.265 7.738 -0.473 18749
5156 1 15 . 1 1 58 58 GLN N N 58 131.839 131.839 127.935 3.904 18749
5157 1 15 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.004 -0.081 18749
5158 1 15 . 1 1 58 58 GLN C C 58 178.435 178.435 177.181 1.254 18749
5159 1 15 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.314 0.974 18749
5160 1 15 . 1 1 58 58 GLN CB C 58 28.195 28.195 28.267 -0.072 18749
5161 1 15 . 1 1 58 58 GLN H H 58 9.451 9.451 8.905 0.546 18749
5162 1 15 . 1 1 59 59 TYR N N 59 124.026 124.026 119.184 4.842 18749
5163 1 15 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.487 -0.058 18749
5164 1 15 . 1 1 59 59 TYR C C 59 178.722 178.722 177.305 1.417 18749
5165 1 15 . 1 1 59 59 TYR CA C 59 60.295 60.295 60.964 -0.669 18749
5166 1 15 . 1 1 59 59 TYR CB C 59 38.591 38.591 38.104 0.487 18749
5167 1 15 . 1 1 59 59 TYR H H 59 8.699 8.699 7.946 0.753 18749
5168 1 15 . 1 1 60 60 CYS N N 60 122.268 122.268 117.709 4.559 18749
5169 1 15 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.598 -0.281 18749
5170 1 15 . 1 1 60 60 CYS C C 60 176.011 176.011 176.902 -0.891 18749
5171 1 15 . 1 1 60 60 CYS CA C 60 64.499 64.499 61.398 3.101 18749
5172 1 15 . 1 1 60 60 CYS CB C 60 30.203 30.203 25.742 4.461 18749
5173 1 15 . 1 1 60 60 CYS H H 60 8.432 8.432 8.094 0.338 18749
5174 1 15 . 1 1 61 61 ARG N N 61 116.449 116.449 119.238 -2.789 18749
5175 1 15 . 1 1 61 61 ARG HA H 61 3.895 3.895 4.341 -0.446 18749
5176 1 15 . 1 1 61 61 ARG C C 61 176.965 176.965 178.220 -1.255 18749
5177 1 15 . 1 1 61 61 ARG CA C 61 58.336 58.336 59.813 -1.477 18749
5178 1 15 . 1 1 61 61 ARG CB C 61 29.771 29.771 30.409 -0.638 18749
5179 1 15 . 1 1 61 61 ARG H H 61 7.265 7.265 7.532 -0.267 18749
5180 1 15 . 1 1 62 62 TYR N N 62 117.341 117.341 117.394 -0.053 18749
5181 1 15 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.691 -0.222 18749
5182 1 15 . 1 1 62 62 TYR C C 62 175.562 175.562 176.120 -0.558 18749
5183 1 15 . 1 1 62 62 TYR CA C 62 58.566 58.566 58.833 -0.267 18749
5184 1 15 . 1 1 62 62 TYR CB C 62 39.182 39.182 41.322 -2.139 18749
5185 1 15 . 1 1 62 62 TYR H H 62 7.259 7.259 7.679 -0.420 18749
5186 1 15 . 1 1 63 63 GLN N N 63 121.663 121.663 119.949 1.714 18749
5187 1 15 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.628 -0.418 18749
5188 1 15 . 1 1 63 63 GLN C C 63 173.076 173.076 175.051 -1.975 18749
5189 1 15 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.521 -0.029 18749
5190 1 15 . 1 1 63 63 GLN CB C 63 29.401 29.401 30.181 -0.780 18749
5191 1 15 . 1 1 63 63 GLN H H 63 7.856 7.856 8.219 -0.363 18749
5192 1 15 . 1 1 64 64 LYS N N 64 127.668 127.668 125.712 1.956 18749
5193 1 15 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.227 0.074 18749
5194 1 15 . 1 1 64 64 LYS C C 64 177.301 177.301 175.945 1.356 18749
5195 1 15 . 1 1 64 64 LYS CA C 64 58.182 58.182 56.899 1.283 18749
5196 1 15 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.486 0.028 18749
5197 1 15 . 1 1 64 64 LYS H H 64 8.204 8.204 8.768 -0.564 18749
5198 1 15 . 1 1 65 65 ASP N N 65 131.040 131.040 124.643 6.397 18749
5199 1 15 . 1 1 65 65 ASP C C 65 174.529 174.529 177.184 -2.655 18749
5200 1 15 . 1 1 65 65 ASP CA C 65 53.232 53.232 53.721 -0.489 18749
5201 1 15 . 1 1 65 65 ASP CB C 65 41.222 41.222 41.767 -0.545 18749
5202 1 15 . 1 1 65 65 ASP H H 65 8.677 8.677 8.641 0.036 18749
5203 1 15 . 1 1 66 66 LEU N N 66 125.688 125.688 120.914 4.774 18749
5204 1 15 . 1 1 66 66 LEU HA H 66 4.088 4.088 4.002 0.086 18749
5205 1 15 . 1 1 66 66 LEU C C 66 178.676 178.676 177.931 0.745 18749
5206 1 15 . 1 1 66 66 LEU CA C 66 57.836 57.836 56.471 1.365 18749
5207 1 15 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.510 1.686 18749
5208 1 15 . 1 1 66 66 LEU H H 66 8.733 8.733 8.042 0.691 18749
5209 1 15 . 1 1 67 67 ALA N N 67 119.916 119.916 121.282 -1.366 18749
5210 1 15 . 1 1 67 67 ALA C C 67 180.513 180.513 178.692 1.821 18749
5211 1 15 . 1 1 67 67 ALA CA C 67 55.151 55.151 54.269 0.882 18749
5212 1 15 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.283 -0.165 18749
5213 1 15 . 1 1 67 67 ALA H H 67 8.076 8.076 7.704 0.372 18749
5214 1 15 . 1 1 68 68 ILE N N 68 119.735 119.735 116.445 3.290 18749
5215 1 15 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.718 -0.059 18749
5216 1 15 . 1 1 68 68 ILE C C 68 177.647 177.647 176.101 1.546 18749
5217 1 15 . 1 1 68 68 ILE CA C 68 63.267 63.267 63.063 0.204 18749
5218 1 15 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.523 -0.185 18749
5219 1 15 . 1 1 68 68 ILE H H 68 7.342 7.342 7.237 0.105 18749
5220 1 15 . 1 1 69 69 HIS N N 69 119.542 119.542 119.838 -0.296 18749
5221 1 15 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.273 0.030 18749
5222 1 15 . 1 1 69 69 HIS CA C 69 59.224 59.224 56.173 3.051 18749
5223 1 15 . 1 1 69 69 HIS CB C 69 28.569 28.569 30.281 -1.712 18749
5224 1 15 . 1 1 69 69 HIS H H 69 6.608 6.608 7.944 -1.336 18749
5225 1 15 . 1 1 84 84 GLY C C 84 174.391 174.391 174.870 -0.479 18749
5226 1 15 . 1 1 84 84 GLY CA C 84 45.472 45.472 45.453 0.019 18749
5227 1 15 . 1 1 85 85 THR N N 85 112.734 112.734 117.400 -4.666 18749
5228 1 15 . 1 1 85 85 THR C C 85 175.056 175.056 175.241 -0.185 18749
5229 1 15 . 1 1 85 85 THR CA C 85 61.980 61.980 64.165 -2.185 18749
5230 1 15 . 1 1 85 85 THR CB C 85 69.868 69.868 69.350 0.518 18749
5231 1 15 . 1 1 85 85 THR H H 85 8.012 8.012 7.520 0.492 18749
5232 1 15 . 1 1 86 86 GLY N N 86 111.173 111.173 113.685 -2.512 18749
5233 1 15 . 1 1 86 86 GLY C C 86 172.909 172.909 173.560 -0.651 18749
5234 1 15 . 1 1 86 86 GLY CA C 86 45.268 45.268 44.561 0.707 18749
5235 1 15 . 1 1 86 86 GLY H H 86 8.276 8.276 8.047 0.229 18749
5236 1 16 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.733 -0.342 18749
5237 1 16 . 1 1 4 4 PRO C C 4 176.097 176.097 175.777 0.320 18749
5238 1 16 . 1 1 4 4 PRO CA C 4 62.965 62.965 63.078 -0.113 18749
5239 1 16 . 1 1 4 4 PRO CB C 4 31.902 31.902 32.546 -0.644 18749
5240 1 16 . 1 1 5 5 VAL N N 5 121.993 121.993 119.066 2.927 18749
5241 1 16 . 1 1 5 5 VAL HA H 5 4.341 4.341 4.453 -0.112 18749
5242 1 16 . 1 1 5 5 VAL CA C 5 59.763 59.763 58.610 1.153 18749
5243 1 16 . 1 1 5 5 VAL CB C 5 32.567 32.567 32.675 -0.108 18749
5244 1 16 . 1 1 5 5 VAL H H 5 8.149 8.149 7.944 0.205 18749
5245 1 16 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.095 0.161 18749
5246 1 16 . 1 1 6 6 PRO C C 6 176.167 176.167 176.293 -0.126 18749
5247 1 16 . 1 1 6 6 PRO CA C 6 63.138 63.138 63.965 -0.827 18749
5248 1 16 . 1 1 6 6 PRO CB C 6 31.877 31.877 31.627 0.250 18749
5249 1 16 . 1 1 7 7 TYR N N 7 121.107 121.107 116.786 4.321 18749
5250 1 16 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.706 -0.263 18749
5251 1 16 . 1 1 7 7 TYR CA C 7 55.602 55.602 54.510 1.092 18749
5252 1 16 . 1 1 7 7 TYR CB C 7 38.212 38.212 36.636 1.576 18749
5253 1 16 . 1 1 7 7 TYR H H 7 7.945 7.945 6.771 1.174 18749
5254 1 16 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.394 -0.106 18749
5255 1 16 . 1 1 8 8 PRO C C 8 176.122 176.122 175.638 0.484 18749
5256 1 16 . 1 1 8 8 PRO CA C 8 62.983 62.983 62.979 0.004 18749
5257 1 16 . 1 1 8 8 PRO CB C 8 31.913 31.913 32.481 -0.568 18749
5258 1 16 . 1 1 9 9 ASP N N 9 122.332 122.332 118.005 4.327 18749
5259 1 16 . 1 1 9 9 ASP HA H 9 4.466 4.466 4.908 -0.442 18749
5260 1 16 . 1 1 9 9 ASP CA C 9 52.317 52.317 52.888 -0.571 18749
5261 1 16 . 1 1 9 9 ASP CB C 9 41.371 41.371 41.506 -0.135 18749
5262 1 16 . 1 1 9 9 ASP H H 9 8.204 8.204 8.367 -0.163 18749
5263 1 16 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.552 -0.243 18749
5264 1 16 . 1 1 10 10 PRO C C 10 177.003 177.003 177.152 -0.149 18749
5265 1 16 . 1 1 10 10 PRO CA C 10 63.635 63.635 63.629 0.006 18749
5266 1 16 . 1 1 10 10 PRO CB C 10 32.207 32.207 31.762 0.445 18749
5267 1 16 . 1 1 11 11 LEU N N 11 120.566 120.566 118.655 1.911 18749
5268 1 16 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.112 0.109 18749
5269 1 16 . 1 1 11 11 LEU C C 11 177.277 177.277 178.287 -1.010 18749
5270 1 16 . 1 1 11 11 LEU CA C 11 54.938 54.938 56.463 -1.525 18749
5271 1 16 . 1 1 11 11 LEU CB C 11 41.908 41.908 41.875 0.033 18749
5272 1 16 . 1 1 11 11 LEU H H 11 8.295 8.295 7.689 0.606 18749
5273 1 16 . 1 1 12 12 GLU N N 12 122.415 122.415 118.580 3.835 18749
5274 1 16 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.207 0.177 18749
5275 1 16 . 1 1 12 12 GLU CA C 12 54.384 54.384 57.663 -3.279 18749
5276 1 16 . 1 1 12 12 GLU CB C 12 29.988 29.988 28.454 1.534 18749
5277 1 16 . 1 1 12 12 GLU H H 12 7.857 7.857 8.236 -0.379 18749
5278 1 16 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.385 -0.136 18749
5279 1 16 . 1 1 13 13 PRO C C 13 177.132 177.132 176.324 0.808 18749
5280 1 16 . 1 1 13 13 PRO CA C 13 63.458 63.458 63.408 0.050 18749
5281 1 16 . 1 1 13 13 PRO CB C 13 31.862 31.862 32.118 -0.256 18749
5282 1 16 . 1 1 14 14 ARG N N 14 121.214 121.214 122.579 -1.365 18749
5283 1 16 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.386 -0.227 18749
5284 1 16 . 1 1 14 14 ARG CA C 14 56.162 56.162 56.138 0.024 18749
5285 1 16 . 1 1 14 14 ARG CB C 14 30.632 30.632 30.763 -0.131 18749
5286 1 16 . 1 1 14 14 ARG H H 14 8.337 8.337 8.285 0.052 18749
5287 1 16 . 1 1 15 15 GLY N N 15 109.686 109.686 108.963 0.723 18749
5288 1 16 . 1 1 15 15 GLY C C 15 174.130 174.130 174.685 -0.555 18749
5289 1 16 . 1 1 15 15 GLY CA C 15 45.312 45.312 44.616 0.696 18749
5290 1 16 . 1 1 15 15 GLY H H 15 8.280 8.280 8.433 -0.153 18749
5291 1 16 . 1 1 16 16 GLY N N 16 108.011 108.011 108.702 -0.691 18749
5292 1 16 . 1 1 16 16 GLY C C 16 172.056 172.056 174.604 -2.548 18749
5293 1 16 . 1 1 16 16 GLY CA C 16 44.895 44.895 44.491 0.404 18749
5294 1 16 . 1 1 16 16 GLY H H 16 7.764 7.764 8.388 -0.624 18749
5295 1 16 . 1 1 17 17 LYS N N 17 117.049 117.049 122.513 -5.464 18749
5296 1 16 . 1 1 17 17 LYS HA H 17 4.135 4.135 4.090 0.045 18749
5297 1 16 . 1 1 17 17 LYS C C 17 175.259 175.259 177.247 -1.988 18749
5298 1 16 . 1 1 17 17 LYS CA C 17 53.914 53.914 58.856 -4.942 18749
5299 1 16 . 1 1 17 17 LYS CB C 17 35.219 35.219 32.810 2.409 18749
5300 1 16 . 1 1 17 17 LYS H H 17 7.347 7.347 8.726 -1.379 18749
5301 1 16 . 1 1 18 18 HIS N N 18 120.426 120.426 117.958 2.468 18749
5302 1 16 . 1 1 18 18 HIS C C 18 175.419 175.419 174.886 0.533 18749
5303 1 16 . 1 1 18 18 HIS CA C 18 57.086 57.086 58.281 -1.195 18749
5304 1 16 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.539 -0.047 18749
5305 1 16 . 1 1 19 19 ILE N N 19 126.193 126.193 116.153 10.040 18749
5306 1 16 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.461 -0.007 18749
5307 1 16 . 1 1 19 19 ILE C C 19 175.138 175.138 174.809 0.329 18749
5308 1 16 . 1 1 19 19 ILE CA C 19 59.189 59.189 59.918 -0.729 18749
5309 1 16 . 1 1 19 19 ILE CB C 19 41.816 41.816 39.035 2.781 18749
5310 1 16 . 1 1 19 19 ILE H H 19 8.180 8.180 7.803 0.377 18749
5311 1 16 . 1 1 20 20 CYS N N 20 127.805 127.805 127.102 0.703 18749
5312 1 16 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.627 0.288 18749
5313 1 16 . 1 1 20 20 CYS C C 20 174.996 174.996 176.576 -1.580 18749
5314 1 16 . 1 1 20 20 CYS CA C 20 57.370 57.370 58.334 -0.964 18749
5315 1 16 . 1 1 20 20 CYS CB C 20 32.008 32.008 29.540 2.468 18749
5316 1 16 . 1 1 20 20 CYS H H 20 8.382 8.382 8.698 -0.316 18749
5317 1 16 . 1 1 21 21 ALA N N 21 135.406 135.406 129.951 5.455 18749
5318 1 16 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.267 -0.105 18749
5319 1 16 . 1 1 21 21 ALA C C 21 177.885 177.885 177.501 0.384 18749
5320 1 16 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.462 0.030 18749
5321 1 16 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.781 0.844 18749
5322 1 16 . 1 1 21 21 ALA H H 21 8.742 8.742 8.803 -0.061 18749
5323 1 16 . 1 1 22 22 ILE N N 22 119.063 119.063 117.629 1.434 18749
5324 1 16 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.111 -0.250 18749
5325 1 16 . 1 1 22 22 ILE C C 22 176.914 176.914 177.277 -0.363 18749
5326 1 16 . 1 1 22 22 ILE CA C 22 63.218 63.218 62.551 0.667 18749
5327 1 16 . 1 1 22 22 ILE CB C 22 37.371 37.371 39.162 -1.791 18749
5328 1 16 . 1 1 22 22 ILE H H 22 8.150 8.150 7.793 0.357 18749
5329 1 16 . 1 1 23 23 CYS N N 23 114.362 114.362 119.875 -5.513 18749
5330 1 16 . 1 1 23 23 CYS C C 23 176.216 176.216 176.345 -0.129 18749
5331 1 16 . 1 1 23 23 CYS CA C 23 57.878 57.878 60.568 -2.690 18749
5332 1 16 . 1 1 23 23 CYS CB C 23 30.456 30.456 27.087 3.369 18749
5333 1 16 . 1 1 23 23 CYS H H 23 7.238 7.238 8.328 -1.090 18749
5334 1 16 . 1 1 24 24 GLY N N 24 111.898 111.898 107.651 4.247 18749
5335 1 16 . 1 1 24 24 GLY C C 24 173.367 173.367 174.196 -0.829 18749
5336 1 16 . 1 1 24 24 GLY CA C 24 46.222 46.222 46.372 -0.150 18749
5337 1 16 . 1 1 24 24 GLY H H 24 7.566 7.566 8.622 -1.056 18749
5338 1 16 . 1 1 25 25 ASN N N 25 117.684 117.684 116.043 1.641 18749
5339 1 16 . 1 1 25 25 ASN HA H 25 4.763 4.763 4.978 -0.215 18749
5340 1 16 . 1 1 25 25 ASN C C 25 174.631 174.631 174.942 -0.311 18749
5341 1 16 . 1 1 25 25 ASN CA C 25 51.901 51.901 52.800 -0.899 18749
5342 1 16 . 1 1 25 25 ASN CB C 25 40.666 40.666 40.121 0.545 18749
5343 1 16 . 1 1 25 25 ASN H H 25 7.781 7.781 8.493 -0.712 18749
5344 1 16 . 1 1 26 26 ASN N N 26 118.294 118.294 118.553 -0.259 18749
5345 1 16 . 1 1 26 26 ASN HA H 26 4.570 4.570 4.642 -0.072 18749
5346 1 16 . 1 1 26 26 ASN C C 26 175.502 175.502 176.665 -1.163 18749
5347 1 16 . 1 1 26 26 ASN CA C 26 53.980 53.980 55.343 -1.363 18749
5348 1 16 . 1 1 26 26 ASN CB C 26 38.066 38.066 38.841 -0.775 18749
5349 1 16 . 1 1 26 26 ASN H H 26 8.562 8.562 8.478 0.084 18749
5350 1 16 . 1 1 27 27 ALA N N 27 126.538 126.538 121.751 4.787 18749
5351 1 16 . 1 1 27 27 ALA C C 27 177.920 177.920 178.114 -0.194 18749
5352 1 16 . 1 1 27 27 ALA CA C 27 53.567 53.567 54.274 -0.707 18749
5353 1 16 . 1 1 27 27 ALA CB C 27 18.852 18.852 18.359 0.493 18749
5354 1 16 . 1 1 27 27 ALA H H 27 8.217 8.217 8.225 -0.008 18749
5355 1 16 . 1 1 28 28 GLU N N 28 112.911 112.911 118.246 -5.335 18749
5356 1 16 . 1 1 28 28 GLU HA H 28 4.099 4.099 4.088 0.011 18749
5357 1 16 . 1 1 28 28 GLU C C 28 177.423 177.423 175.984 1.439 18749
5358 1 16 . 1 1 28 28 GLU CA C 28 57.783 57.783 58.299 -0.516 18749
5359 1 16 . 1 1 28 28 GLU CB C 28 30.926 30.926 30.145 0.781 18749
5360 1 16 . 1 1 28 28 GLU H H 28 8.608 8.608 8.563 0.045 18749
5361 1 16 . 1 1 29 29 ASP N N 29 116.209 116.209 117.654 -1.445 18749
5362 1 16 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.479 -0.045 18749
5363 1 16 . 1 1 29 29 ASP C C 29 174.486 174.486 175.777 -1.291 18749
5364 1 16 . 1 1 29 29 ASP CA C 29 55.349 55.349 53.328 2.021 18749
5365 1 16 . 1 1 29 29 ASP CB C 29 42.596 42.596 41.484 1.112 18749
5366 1 16 . 1 1 29 29 ASP H H 29 7.272 7.272 7.681 -0.409 18749
5367 1 16 . 1 1 30 30 TYR N N 30 116.344 116.344 119.152 -2.808 18749
5368 1 16 . 1 1 30 30 TYR CA C 30 57.018 57.018 59.181 -2.163 18749
5369 1 16 . 1 1 30 30 TYR CB C 30 43.459 43.459 39.424 4.035 18749
5370 1 16 . 1 1 30 30 TYR H H 30 7.281 7.281 8.146 -0.865 18749
5371 1 16 . 1 1 31 31 LYS C C 31 177.018 177.018 175.775 1.243 18749
5372 1 16 . 1 1 32 32 HIS N N 32 116.170 116.170 118.697 -2.527 18749
5373 1 16 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.689 -0.887 18749
5374 1 16 . 1 1 32 32 HIS C C 32 173.979 173.979 177.175 -3.196 18749
5375 1 16 . 1 1 32 32 HIS CA C 32 55.136 55.136 58.504 -3.368 18749
5376 1 16 . 1 1 32 32 HIS CB C 32 33.128 33.128 30.381 2.747 18749
5377 1 16 . 1 1 32 32 HIS H H 32 7.691 7.691 8.271 -0.581 18749
5378 1 16 . 1 1 33 33 THR N N 33 108.605 108.605 111.713 -3.108 18749
5379 1 16 . 1 1 33 33 THR HA H 33 4.424 4.424 4.266 0.158 18749
5380 1 16 . 1 1 33 33 THR C C 33 175.107 175.107 175.624 -0.517 18749
5381 1 16 . 1 1 33 33 THR CA C 33 60.218 60.218 63.708 -3.490 18749
5382 1 16 . 1 1 33 33 THR CB C 33 69.476 69.476 68.846 0.630 18749
5383 1 16 . 1 1 33 33 THR H H 33 8.051 8.051 7.899 0.152 18749
5384 1 16 . 1 1 34 34 ASP N N 34 121.404 121.404 120.092 1.312 18749
5385 1 16 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.586 0.004 18749
5386 1 16 . 1 1 34 34 ASP C C 34 175.334 175.334 176.447 -1.113 18749
5387 1 16 . 1 1 34 34 ASP CA C 34 53.564 53.564 55.468 -1.904 18749
5388 1 16 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.730 -0.310 18749
5389 1 16 . 1 1 34 34 ASP H H 34 7.973 7.973 8.514 -0.541 18749
5390 1 16 . 1 1 35 35 MET N N 35 119.898 119.898 119.291 0.607 18749
5391 1 16 . 1 1 35 35 MET HA H 35 4.398 4.398 4.466 -0.068 18749
5392 1 16 . 1 1 35 35 MET C C 35 174.846 174.846 176.065 -1.219 18749
5393 1 16 . 1 1 35 35 MET CA C 35 55.631 55.631 54.732 0.899 18749
5394 1 16 . 1 1 35 35 MET CB C 35 33.382 33.382 32.992 0.390 18749
5395 1 16 . 1 1 35 35 MET H H 35 7.585 7.585 7.314 0.271 18749
5396 1 16 . 1 1 36 36 ASP N N 36 123.631 123.631 122.839 0.792 18749
5397 1 16 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.614 -0.128 18749
5398 1 16 . 1 1 36 36 ASP C C 36 176.456 176.456 175.570 0.886 18749
5399 1 16 . 1 1 36 36 ASP CA C 36 54.279 54.279 54.375 -0.096 18749
5400 1 16 . 1 1 36 36 ASP CB C 36 41.156 41.156 38.676 2.480 18749
5401 1 16 . 1 1 36 36 ASP H H 36 8.360 8.360 8.496 -0.136 18749
5402 1 16 . 1 1 37 37 LEU N N 37 123.812 123.812 123.504 0.308 18749
5403 1 16 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.494 -0.191 18749
5404 1 16 . 1 1 37 37 LEU C C 37 177.554 177.554 178.322 -0.768 18749
5405 1 16 . 1 1 37 37 LEU CA C 37 55.317 55.317 54.963 0.354 18749
5406 1 16 . 1 1 37 37 LEU CB C 37 41.945 41.945 42.602 -0.657 18749
5407 1 16 . 1 1 37 37 LEU H H 37 8.224 8.224 7.777 0.447 18749
5408 1 16 . 1 1 38 38 THR N N 38 113.723 113.723 114.733 -1.010 18749
5409 1 16 . 1 1 38 38 THR HA H 38 4.153 4.153 3.991 0.162 18749
5410 1 16 . 1 1 38 38 THR C C 38 174.786 174.786 174.858 -0.072 18749
5411 1 16 . 1 1 38 38 THR CA C 38 62.673 62.673 63.477 -0.804 18749
5412 1 16 . 1 1 38 38 THR CB C 38 69.792 69.792 68.996 0.796 18749
5413 1 16 . 1 1 38 38 THR H H 38 8.321 8.321 8.315 0.006 18749
5414 1 16 . 1 1 39 39 TYR N N 39 121.098 121.098 122.275 -1.177 18749
5415 1 16 . 1 1 39 39 TYR C C 39 175.992 175.992 176.849 -0.857 18749
5416 1 16 . 1 1 39 39 TYR CA C 39 58.083 58.083 57.852 0.231 18749
5417 1 16 . 1 1 39 39 TYR CB C 39 38.309 38.309 39.170 -0.861 18749
5418 1 16 . 1 1 39 39 TYR H H 39 7.920 7.920 7.916 0.004 18749
5419 1 16 . 1 1 40 40 THR N N 40 113.380 113.380 114.867 -1.487 18749
5420 1 16 . 1 1 40 40 THR C C 40 174.356 174.356 174.910 -0.554 18749
5421 1 16 . 1 1 40 40 THR CA C 40 61.801 61.801 63.063 -1.262 18749
5422 1 16 . 1 1 40 40 THR CB C 40 69.965 69.965 69.245 0.720 18749
5423 1 16 . 1 1 40 40 THR H H 40 7.885 7.885 8.351 -0.466 18749
5424 1 16 . 1 1 41 41 ASP N N 41 121.537 121.537 121.832 -0.295 18749
5425 1 16 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.693 -0.225 18749
5426 1 16 . 1 1 41 41 ASP C C 41 176.338 176.338 176.517 -0.179 18749
5427 1 16 . 1 1 41 41 ASP CA C 41 54.674 54.674 53.494 1.180 18749
5428 1 16 . 1 1 41 41 ASP CB C 41 40.996 40.996 41.516 -0.520 18749
5429 1 16 . 1 1 41 41 ASP H H 41 8.184 8.184 8.220 -0.036 18749
5430 1 16 . 1 1 42 42 ARG N N 42 119.745 119.745 125.552 -5.807 18749
5431 1 16 . 1 1 42 42 ARG HA H 42 4.171 4.171 4.176 -0.005 18749
5432 1 16 . 1 1 42 42 ARG C C 42 175.906 175.906 175.751 0.155 18749
5433 1 16 . 1 1 42 42 ARG CA C 42 56.644 56.644 57.922 -1.278 18749
5434 1 16 . 1 1 42 42 ARG CB C 42 30.788 30.788 30.753 0.035 18749
5435 1 16 . 1 1 42 42 ARG H H 42 7.997 7.997 8.732 -0.735 18749
5436 1 16 . 1 1 43 43 ASP N N 43 119.314 119.314 114.683 4.631 18749
5437 1 16 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.576 -0.073 18749
5438 1 16 . 1 1 43 43 ASP C C 43 175.599 175.599 174.347 1.252 18749
5439 1 16 . 1 1 43 43 ASP CA C 43 54.368 54.368 53.050 1.319 18749
5440 1 16 . 1 1 43 43 ASP CB C 43 41.071 41.071 41.914 -0.843 18749
5441 1 16 . 1 1 43 43 ASP H H 43 8.181 8.181 7.744 0.437 18749
5442 1 16 . 1 1 44 44 TYR N N 44 120.178 120.178 120.295 -0.117 18749
5443 1 16 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.388 -0.064 18749
5444 1 16 . 1 1 44 44 TYR C C 44 175.321 175.321 175.891 -0.570 18749
5445 1 16 . 1 1 44 44 TYR CA C 44 58.553 58.553 59.167 -0.614 18749
5446 1 16 . 1 1 44 44 TYR CB C 44 38.614 38.614 39.228 -0.614 18749
5447 1 16 . 1 1 44 44 TYR H H 44 7.806 7.806 8.449 -0.643 18749
5448 1 16 . 1 1 45 45 LYS N N 45 123.353 123.353 127.114 -3.761 18749
5449 1 16 . 1 1 45 45 LYS CA C 45 55.745 55.745 56.107 -0.362 18749
5450 1 16 . 1 1 45 45 LYS CB C 45 33.789 33.789 32.719 1.070 18749
5451 1 16 . 1 1 45 45 LYS H H 45 7.731 7.731 7.809 -0.078 18749
5452 1 16 . 1 1 47 47 CYS N N 47 125.060 125.060 120.107 4.953 18749
5453 1 16 . 1 1 47 47 CYS H H 47 8.811 8.811 8.575 0.236 18749
5454 1 16 . 1 1 48 48 GLU C C 48 178.473 178.473 176.359 2.114 18749
5455 1 16 . 1 1 49 49 SER N N 49 120.359 120.359 119.363 0.996 18749
5456 1 16 . 1 1 49 49 SER C C 49 172.276 172.276 173.581 -1.305 18749
5457 1 16 . 1 1 49 49 SER CA C 49 61.125 61.125 60.611 0.514 18749
5458 1 16 . 1 1 49 49 SER CB C 49 63.224 63.224 63.656 -0.432 18749
5459 1 16 . 1 1 49 49 SER H H 49 8.737 8.737 8.228 0.509 18749
5460 1 16 . 1 1 50 50 TYR N N 50 110.556 110.556 115.772 -5.216 18749
5461 1 16 . 1 1 50 50 TYR C C 50 175.624 175.624 175.221 0.403 18749
5462 1 16 . 1 1 50 50 TYR CA C 50 59.205 59.205 57.432 1.773 18749
5463 1 16 . 1 1 50 50 TYR CB C 50 38.197 38.197 40.920 -2.723 18749
5464 1 16 . 1 1 50 50 TYR H H 50 6.326 6.326 7.438 -1.112 18749
5465 1 16 . 1 1 51 51 HIS N N 51 119.871 119.871 118.660 1.211 18749
5466 1 16 . 1 1 51 51 HIS HA H 51 3.757 3.757 4.708 -0.951 18749
5467 1 16 . 1 1 51 51 HIS C C 51 176.588 176.588 176.267 0.321 18749
5468 1 16 . 1 1 51 51 HIS CA C 51 59.323 59.323 56.276 3.047 18749
5469 1 16 . 1 1 51 51 HIS CB C 51 27.514 27.514 30.053 -2.539 18749
5470 1 16 . 1 1 51 51 HIS H H 51 5.890 5.890 8.852 -2.962 18749
5471 1 16 . 1 1 52 52 LYS N N 52 122.505 122.505 119.158 3.347 18749
5472 1 16 . 1 1 52 52 LYS C C 52 178.958 178.958 176.505 2.453 18749
5473 1 16 . 1 1 52 52 LYS CA C 52 58.922 58.922 58.268 0.654 18749
5474 1 16 . 1 1 52 52 LYS CB C 52 31.291 31.291 32.663 -1.372 18749
5475 1 16 . 1 1 52 52 LYS H H 52 7.660 7.660 8.372 -0.712 18749
5476 1 16 . 1 1 53 53 CYS N N 53 117.268 117.268 116.986 0.282 18749
5477 1 16 . 1 1 53 53 CYS C C 53 179.241 179.241 175.279 3.962 18749
5478 1 16 . 1 1 53 53 CYS CA C 53 64.802 64.802 58.490 6.312 18749
5479 1 16 . 1 1 53 53 CYS CB C 53 30.906 30.906 30.302 0.604 18749
5480 1 16 . 1 1 53 53 CYS H H 53 8.256 8.256 7.891 0.365 18749
5481 1 16 . 1 1 54 54 SER N N 54 111.716 111.716 120.913 -9.197 18749
5482 1 16 . 1 1 54 54 SER HA H 54 3.839 3.839 4.318 -0.479 18749
5483 1 16 . 1 1 54 54 SER C C 54 175.922 175.922 174.292 1.630 18749
5484 1 16 . 1 1 54 54 SER CA C 54 60.263 60.263 60.032 0.231 18749
5485 1 16 . 1 1 54 54 SER CB C 54 64.120 64.120 62.935 1.185 18749
5486 1 16 . 1 1 54 54 SER H H 54 7.671 7.671 8.695 -1.024 18749
5487 1 16 . 1 1 55 55 ASP N N 55 119.056 119.056 116.984 2.072 18749
5488 1 16 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.162 0.133 18749
5489 1 16 . 1 1 55 55 ASP C C 55 178.101 178.101 176.720 1.381 18749
5490 1 16 . 1 1 55 55 ASP CA C 55 57.387 57.387 56.275 1.112 18749
5491 1 16 . 1 1 55 55 ASP CB C 55 40.315 40.315 39.581 0.734 18749
5492 1 16 . 1 1 55 55 ASP H H 55 7.438 7.438 7.757 -0.319 18749
5493 1 16 . 1 1 56 56 LEU N N 56 118.324 118.324 118.508 -0.184 18749
5494 1 16 . 1 1 56 56 LEU HA H 56 4.168 4.168 4.142 0.026 18749
5495 1 16 . 1 1 56 56 LEU C C 56 176.250 176.250 177.317 -1.067 18749
5496 1 16 . 1 1 56 56 LEU CA C 56 55.333 55.333 56.511 -1.178 18749
5497 1 16 . 1 1 56 56 LEU CB C 56 43.173 43.173 42.234 0.939 18749
5498 1 16 . 1 1 56 56 LEU H H 56 7.565 7.565 7.842 -0.277 18749
5499 1 16 . 1 1 57 57 CYS N N 57 124.095 124.095 117.072 7.023 18749
5500 1 16 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.799 -0.544 18749
5501 1 16 . 1 1 57 57 CYS C C 57 177.371 177.371 175.382 1.989 18749
5502 1 16 . 1 1 57 57 CYS CA C 57 59.255 59.255 57.475 1.780 18749
5503 1 16 . 1 1 57 57 CYS CB C 57 30.128 30.128 28.210 1.918 18749
5504 1 16 . 1 1 57 57 CYS H H 57 7.265 7.265 8.075 -0.810 18749
5505 1 16 . 1 1 58 58 GLN N N 58 131.839 131.839 126.899 4.940 18749
5506 1 16 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.125 -0.202 18749
5507 1 16 . 1 1 58 58 GLN C C 58 178.435 178.435 177.362 1.073 18749
5508 1 16 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.119 1.169 18749
5509 1 16 . 1 1 58 58 GLN CB C 58 28.195 28.195 28.620 -0.425 18749
5510 1 16 . 1 1 58 58 GLN H H 58 9.451 9.451 8.806 0.645 18749
5511 1 16 . 1 1 59 59 TYR N N 59 124.026 124.026 121.328 2.698 18749
5512 1 16 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.556 -0.127 18749
5513 1 16 . 1 1 59 59 TYR C C 59 178.722 178.722 176.787 1.935 18749
5514 1 16 . 1 1 59 59 TYR CA C 59 60.295 60.295 61.279 -0.984 18749
5515 1 16 . 1 1 59 59 TYR CB C 59 38.591 38.591 38.840 -0.249 18749
5516 1 16 . 1 1 59 59 TYR H H 59 8.699 8.699 8.107 0.592 18749
5517 1 16 . 1 1 60 60 CYS N N 60 122.268 122.268 117.446 4.822 18749
5518 1 16 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.636 -0.319 18749
5519 1 16 . 1 1 60 60 CYS C C 60 176.011 176.011 176.904 -0.893 18749
5520 1 16 . 1 1 60 60 CYS CA C 60 64.499 64.499 60.863 3.636 18749
5521 1 16 . 1 1 60 60 CYS CB C 60 30.203 30.203 25.788 4.415 18749
5522 1 16 . 1 1 60 60 CYS H H 60 8.432 8.432 7.984 0.448 18749
5523 1 16 . 1 1 61 61 ARG N N 61 116.449 116.449 119.236 -2.787 18749
5524 1 16 . 1 1 61 61 ARG HA H 61 3.895 3.895 3.925 -0.030 18749
5525 1 16 . 1 1 61 61 ARG C C 61 176.965 176.965 177.206 -0.241 18749
5526 1 16 . 1 1 61 61 ARG CA C 61 58.336 58.336 59.008 -0.672 18749
5527 1 16 . 1 1 61 61 ARG CB C 61 29.771 29.771 30.023 -0.252 18749
5528 1 16 . 1 1 61 61 ARG H H 61 7.265 7.265 7.607 -0.342 18749
5529 1 16 . 1 1 62 62 TYR N N 62 117.341 117.341 115.239 2.102 18749
5530 1 16 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.431 0.038 18749
5531 1 16 . 1 1 62 62 TYR C C 62 175.562 175.562 176.995 -1.433 18749
5532 1 16 . 1 1 62 62 TYR CA C 62 58.566 58.566 59.459 -0.893 18749
5533 1 16 . 1 1 62 62 TYR CB C 62 39.182 39.182 39.757 -0.575 18749
5534 1 16 . 1 1 62 62 TYR H H 62 7.259 7.259 7.453 -0.194 18749
5535 1 16 . 1 1 63 63 GLN N N 63 121.663 121.663 117.793 3.870 18749
5536 1 16 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.559 -0.349 18749
5537 1 16 . 1 1 63 63 GLN C C 63 173.076 173.076 175.035 -1.959 18749
5538 1 16 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.831 -0.339 18749
5539 1 16 . 1 1 63 63 GLN CB C 63 29.401 29.401 31.556 -2.155 18749
5540 1 16 . 1 1 63 63 GLN H H 63 7.856 7.856 7.828 0.028 18749
5541 1 16 . 1 1 64 64 LYS N N 64 127.668 127.668 125.590 2.078 18749
5542 1 16 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.099 0.202 18749
5543 1 16 . 1 1 64 64 LYS C C 64 177.301 177.301 176.089 1.212 18749
5544 1 16 . 1 1 64 64 LYS CA C 64 58.182 58.182 57.381 0.801 18749
5545 1 16 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.459 0.055 18749
5546 1 16 . 1 1 64 64 LYS H H 64 8.204 8.204 8.661 -0.457 18749
5547 1 16 . 1 1 65 65 ASP N N 65 131.040 131.040 122.923 8.117 18749
5548 1 16 . 1 1 65 65 ASP C C 65 174.529 174.529 177.021 -2.492 18749
5549 1 16 . 1 1 65 65 ASP CA C 65 53.232 53.232 54.010 -0.778 18749
5550 1 16 . 1 1 65 65 ASP CB C 65 41.222 41.222 40.862 0.360 18749
5551 1 16 . 1 1 65 65 ASP H H 65 8.677 8.677 8.419 0.258 18749
5552 1 16 . 1 1 66 66 LEU N N 66 125.688 125.688 121.290 4.398 18749
5553 1 16 . 1 1 66 66 LEU HA H 66 4.088 4.088 4.024 0.064 18749
5554 1 16 . 1 1 66 66 LEU C C 66 178.676 178.676 177.607 1.069 18749
5555 1 16 . 1 1 66 66 LEU CA C 66 57.836 57.836 55.584 2.252 18749
5556 1 16 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.608 1.587 18749
5557 1 16 . 1 1 66 66 LEU H H 66 8.733 8.733 7.828 0.905 18749
5558 1 16 . 1 1 67 67 ALA N N 67 119.916 119.916 121.902 -1.986 18749
5559 1 16 . 1 1 67 67 ALA C C 67 180.513 180.513 178.477 2.036 18749
5560 1 16 . 1 1 67 67 ALA CA C 67 55.151 55.151 54.209 0.942 18749
5561 1 16 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.270 -0.152 18749
5562 1 16 . 1 1 67 67 ALA H H 67 8.076 8.076 7.815 0.261 18749
5563 1 16 . 1 1 68 68 ILE N N 68 119.735 119.735 114.805 4.930 18749
5564 1 16 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.742 -0.083 18749
5565 1 16 . 1 1 68 68 ILE C C 68 177.647 177.647 176.063 1.584 18749
5566 1 16 . 1 1 68 68 ILE CA C 68 63.267 63.267 63.207 0.060 18749
5567 1 16 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.724 -0.386 18749
5568 1 16 . 1 1 68 68 ILE H H 68 7.342 7.342 7.038 0.304 18749
5569 1 16 . 1 1 69 69 HIS N N 69 119.542 119.542 120.694 -1.152 18749
5570 1 16 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.303 -0.000 18749
5571 1 16 . 1 1 69 69 HIS CA C 69 59.224 59.224 55.844 3.380 18749
5572 1 16 . 1 1 69 69 HIS CB C 69 28.569 28.569 29.917 -1.348 18749
5573 1 16 . 1 1 69 69 HIS H H 69 6.608 6.608 8.043 -1.435 18749
5574 1 16 . 1 1 84 84 GLY C C 84 174.391 174.391 174.561 -0.170 18749
5575 1 16 . 1 1 84 84 GLY CA C 84 45.472 45.472 46.628 -1.156 18749
5576 1 16 . 1 1 85 85 THR N N 85 112.734 112.734 114.454 -1.720 18749
5577 1 16 . 1 1 85 85 THR C C 85 175.056 175.056 174.937 0.119 18749
5578 1 16 . 1 1 85 85 THR CA C 85 61.980 61.980 61.153 0.827 18749
5579 1 16 . 1 1 85 85 THR CB C 85 69.868 69.868 69.763 0.105 18749
5580 1 16 . 1 1 85 85 THR H H 85 8.012 8.012 7.661 0.351 18749
5581 1 16 . 1 1 86 86 GLY N N 86 111.173 111.173 109.887 1.286 18749
5582 1 16 . 1 1 86 86 GLY C C 86 172.909 172.909 173.478 -0.569 18749
5583 1 16 . 1 1 86 86 GLY CA C 86 45.268 45.268 44.579 0.689 18749
5584 1 16 . 1 1 86 86 GLY H H 86 8.276 8.276 8.212 0.064 18749
5585 1 17 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.523 -0.132 18749
5586 1 17 . 1 1 4 4 PRO C C 4 176.097 176.097 175.855 0.242 18749
5587 1 17 . 1 1 4 4 PRO CA C 4 62.965 62.965 63.033 -0.068 18749
5588 1 17 . 1 1 4 4 PRO CB C 4 31.902 31.902 31.796 0.106 18749
5589 1 17 . 1 1 5 5 VAL N N 5 121.993 121.993 119.326 2.667 18749
5590 1 17 . 1 1 5 5 VAL HA H 5 4.341 4.341 4.521 -0.180 18749
5591 1 17 . 1 1 5 5 VAL CA C 5 59.763 59.763 58.506 1.257 18749
5592 1 17 . 1 1 5 5 VAL CB C 5 32.567 32.567 33.071 -0.504 18749
5593 1 17 . 1 1 5 5 VAL H H 5 8.149 8.149 7.993 0.156 18749
5594 1 17 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.276 -0.020 18749
5595 1 17 . 1 1 6 6 PRO C C 6 176.167 176.167 176.726 -0.559 18749
5596 1 17 . 1 1 6 6 PRO CA C 6 63.138 63.138 64.578 -1.440 18749
5597 1 17 . 1 1 6 6 PRO CB C 6 31.877 31.877 31.930 -0.053 18749
5598 1 17 . 1 1 7 7 TYR N N 7 121.107 121.107 119.334 1.773 18749
5599 1 17 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.395 0.048 18749
5600 1 17 . 1 1 7 7 TYR CA C 7 55.602 55.602 56.739 -1.137 18749
5601 1 17 . 1 1 7 7 TYR CB C 7 38.212 38.212 38.729 -0.517 18749
5602 1 17 . 1 1 7 7 TYR H H 7 7.945 7.945 8.027 -0.082 18749
5603 1 17 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.495 -0.207 18749
5604 1 17 . 1 1 8 8 PRO C C 8 176.122 176.122 175.705 0.417 18749
5605 1 17 . 1 1 8 8 PRO CA C 8 62.983 62.983 63.508 -0.525 18749
5606 1 17 . 1 1 8 8 PRO CB C 8 31.913 31.913 32.339 -0.426 18749
5607 1 17 . 1 1 9 9 ASP N N 9 122.332 122.332 118.667 3.665 18749
5608 1 17 . 1 1 9 9 ASP HA H 9 4.466 4.466 4.787 -0.321 18749
5609 1 17 . 1 1 9 9 ASP CA C 9 52.317 52.317 52.278 0.039 18749
5610 1 17 . 1 1 9 9 ASP CB C 9 41.371 41.371 41.839 -0.468 18749
5611 1 17 . 1 1 9 9 ASP H H 9 8.204 8.204 8.128 0.076 18749
5612 1 17 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.314 -0.005 18749
5613 1 17 . 1 1 10 10 PRO C C 10 177.003 177.003 177.551 -0.548 18749
5614 1 17 . 1 1 10 10 PRO CA C 10 63.635 63.635 64.134 -0.499 18749
5615 1 17 . 1 1 10 10 PRO CB C 10 32.207 32.207 32.121 0.086 18749
5616 1 17 . 1 1 11 11 LEU N N 11 120.566 120.566 116.670 3.896 18749
5617 1 17 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.199 0.022 18749
5618 1 17 . 1 1 11 11 LEU C C 11 177.277 177.277 176.502 0.775 18749
5619 1 17 . 1 1 11 11 LEU CA C 11 54.938 54.938 55.184 -0.246 18749
5620 1 17 . 1 1 11 11 LEU CB C 11 41.908 41.908 41.702 0.206 18749
5621 1 17 . 1 1 11 11 LEU H H 11 8.295 8.295 7.613 0.682 18749
5622 1 17 . 1 1 12 12 GLU N N 12 122.415 122.415 115.548 6.867 18749
5623 1 17 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.056 0.328 18749
5624 1 17 . 1 1 12 12 GLU CA C 12 54.384 54.384 55.630 -1.246 18749
5625 1 17 . 1 1 12 12 GLU CB C 12 29.988 29.988 27.720 2.268 18749
5626 1 17 . 1 1 12 12 GLU H H 12 7.857 7.857 7.841 0.016 18749
5627 1 17 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.368 -0.119 18749
5628 1 17 . 1 1 13 13 PRO C C 13 177.132 177.132 177.951 -0.819 18749
5629 1 17 . 1 1 13 13 PRO CA C 13 63.458 63.458 62.822 0.637 18749
5630 1 17 . 1 1 13 13 PRO CB C 13 31.862 31.862 32.246 -0.384 18749
5631 1 17 . 1 1 14 14 ARG N N 14 121.214 121.214 122.992 -1.778 18749
5632 1 17 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.091 0.068 18749
5633 1 17 . 1 1 14 14 ARG CA C 14 56.162 56.162 57.282 -1.119 18749
5634 1 17 . 1 1 14 14 ARG CB C 14 30.632 30.632 30.214 0.418 18749
5635 1 17 . 1 1 14 14 ARG H H 14 8.337 8.337 8.484 -0.147 18749
5636 1 17 . 1 1 15 15 GLY N N 15 109.686 109.686 106.864 2.822 18749
5637 1 17 . 1 1 15 15 GLY C C 15 174.130 174.130 174.073 0.057 18749
5638 1 17 . 1 1 15 15 GLY CA C 15 45.312 45.312 44.765 0.547 18749
5639 1 17 . 1 1 15 15 GLY H H 15 8.280 8.280 7.858 0.422 18749
5640 1 17 . 1 1 16 16 GLY N N 16 108.011 108.011 109.252 -1.241 18749
5641 1 17 . 1 1 16 16 GLY C C 16 172.056 172.056 175.017 -2.961 18749
5642 1 17 . 1 1 16 16 GLY CA C 16 44.895 44.895 44.273 0.622 18749
5643 1 17 . 1 1 16 16 GLY H H 16 7.764 7.764 8.308 -0.544 18749
5644 1 17 . 1 1 17 17 LYS N N 17 117.049 117.049 122.563 -5.514 18749
5645 1 17 . 1 1 17 17 LYS HA H 17 4.135 4.135 4.105 0.030 18749
5646 1 17 . 1 1 17 17 LYS C C 17 175.259 175.259 177.686 -2.427 18749
5647 1 17 . 1 1 17 17 LYS CA C 17 53.914 53.914 58.312 -4.398 18749
5648 1 17 . 1 1 17 17 LYS CB C 17 35.219 35.219 32.495 2.724 18749
5649 1 17 . 1 1 17 17 LYS H H 17 7.347 7.347 8.629 -1.282 18749
5650 1 17 . 1 1 18 18 HIS N N 18 120.426 120.426 116.504 3.922 18749
5651 1 17 . 1 1 18 18 HIS C C 18 175.419 175.419 174.987 0.432 18749
5652 1 17 . 1 1 18 18 HIS CA C 18 57.086 57.086 58.111 -1.025 18749
5653 1 17 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.399 0.093 18749
5654 1 17 . 1 1 19 19 ILE N N 19 126.193 126.193 116.274 9.919 18749
5655 1 17 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.409 0.045 18749
5656 1 17 . 1 1 19 19 ILE C C 19 175.138 175.138 175.173 -0.035 18749
5657 1 17 . 1 1 19 19 ILE CA C 19 59.189 59.189 59.627 -0.438 18749
5658 1 17 . 1 1 19 19 ILE CB C 19 41.816 41.816 39.237 2.579 18749
5659 1 17 . 1 1 19 19 ILE H H 19 8.180 8.180 7.626 0.554 18749
5660 1 17 . 1 1 20 20 CYS N N 20 127.805 127.805 127.007 0.798 18749
5661 1 17 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.540 0.375 18749
5662 1 17 . 1 1 20 20 CYS C C 20 174.996 174.996 175.952 -0.956 18749
5663 1 17 . 1 1 20 20 CYS CA C 20 57.370 57.370 58.574 -1.204 18749
5664 1 17 . 1 1 20 20 CYS CB C 20 32.008 32.008 29.577 2.431 18749
5665 1 17 . 1 1 20 20 CYS H H 20 8.382 8.382 8.820 -0.438 18749
5666 1 17 . 1 1 21 21 ALA N N 21 135.406 135.406 129.408 5.998 18749
5667 1 17 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.156 0.006 18749
5668 1 17 . 1 1 21 21 ALA C C 21 177.885 177.885 177.433 0.452 18749
5669 1 17 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.294 0.198 18749
5670 1 17 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.872 0.753 18749
5671 1 17 . 1 1 21 21 ALA H H 21 8.742 8.742 8.788 -0.046 18749
5672 1 17 . 1 1 22 22 ILE N N 22 119.063 119.063 116.456 2.607 18749
5673 1 17 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.169 -0.308 18749
5674 1 17 . 1 1 22 22 ILE C C 22 176.914 176.914 177.056 -0.142 18749
5675 1 17 . 1 1 22 22 ILE CA C 22 63.218 63.218 62.427 0.791 18749
5676 1 17 . 1 1 22 22 ILE CB C 22 37.371 37.371 39.410 -2.039 18749
5677 1 17 . 1 1 22 22 ILE H H 22 8.150 8.150 7.489 0.661 18749
5678 1 17 . 1 1 23 23 CYS N N 23 114.362 114.362 118.218 -3.856 18749
5679 1 17 . 1 1 23 23 CYS C C 23 176.216 176.216 176.038 0.178 18749
5680 1 17 . 1 1 23 23 CYS CA C 23 57.878 57.878 59.479 -1.601 18749
5681 1 17 . 1 1 23 23 CYS CB C 23 30.456 30.456 26.376 4.080 18749
5682 1 17 . 1 1 23 23 CYS H H 23 7.238 7.238 8.307 -1.069 18749
5683 1 17 . 1 1 24 24 GLY N N 24 111.898 111.898 108.743 3.155 18749
5684 1 17 . 1 1 24 24 GLY C C 24 173.367 173.367 174.175 -0.808 18749
5685 1 17 . 1 1 24 24 GLY CA C 24 46.222 46.222 46.897 -0.675 18749
5686 1 17 . 1 1 24 24 GLY H H 24 7.566 7.566 8.554 -0.988 18749
5687 1 17 . 1 1 25 25 ASN N N 25 117.684 117.684 114.939 2.745 18749
5688 1 17 . 1 1 25 25 ASN HA H 25 4.763 4.763 5.031 -0.268 18749
5689 1 17 . 1 1 25 25 ASN C C 25 174.631 174.631 174.548 0.083 18749
5690 1 17 . 1 1 25 25 ASN CA C 25 51.901 51.901 52.464 -0.563 18749
5691 1 17 . 1 1 25 25 ASN CB C 25 40.666 40.666 38.515 2.151 18749
5692 1 17 . 1 1 25 25 ASN H H 25 7.781 7.781 8.557 -0.776 18749
5693 1 17 . 1 1 26 26 ASN N N 26 118.294 118.294 118.304 -0.010 18749
5694 1 17 . 1 1 26 26 ASN HA H 26 4.570 4.570 4.772 -0.202 18749
5695 1 17 . 1 1 26 26 ASN C C 26 175.502 175.502 175.492 0.010 18749
5696 1 17 . 1 1 26 26 ASN CA C 26 53.980 53.980 54.187 -0.207 18749
5697 1 17 . 1 1 26 26 ASN CB C 26 38.066 38.066 38.347 -0.281 18749
5698 1 17 . 1 1 26 26 ASN H H 26 8.562 8.562 8.593 -0.031 18749
5699 1 17 . 1 1 27 27 ALA N N 27 126.538 126.538 121.536 5.002 18749
5700 1 17 . 1 1 27 27 ALA C C 27 177.920 177.920 175.603 2.317 18749
5701 1 17 . 1 1 27 27 ALA CA C 27 53.567 53.567 52.490 1.077 18749
5702 1 17 . 1 1 27 27 ALA CB C 27 18.852 18.852 16.903 1.949 18749
5703 1 17 . 1 1 27 27 ALA H H 27 8.217 8.217 8.352 -0.135 18749
5704 1 17 . 1 1 28 28 GLU N N 28 112.911 112.911 118.965 -6.054 18749
5705 1 17 . 1 1 28 28 GLU HA H 28 4.099 4.099 4.330 -0.231 18749
5706 1 17 . 1 1 28 28 GLU C C 28 177.423 177.423 175.340 2.083 18749
5707 1 17 . 1 1 28 28 GLU CA C 28 57.783 57.783 57.155 0.628 18749
5708 1 17 . 1 1 28 28 GLU CB C 28 30.926 30.926 31.530 -0.604 18749
5709 1 17 . 1 1 28 28 GLU H H 28 8.608 8.608 8.330 0.278 18749
5710 1 17 . 1 1 29 29 ASP N N 29 116.209 116.209 119.415 -3.206 18749
5711 1 17 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.533 -0.099 18749
5712 1 17 . 1 1 29 29 ASP C C 29 174.486 174.486 176.262 -1.776 18749
5713 1 17 . 1 1 29 29 ASP CA C 29 55.349 55.349 54.166 1.183 18749
5714 1 17 . 1 1 29 29 ASP CB C 29 42.596 42.596 42.274 0.322 18749
5715 1 17 . 1 1 29 29 ASP H H 29 7.272 7.272 7.818 -0.546 18749
5716 1 17 . 1 1 30 30 TYR N N 30 116.344 116.344 120.827 -4.483 18749
5717 1 17 . 1 1 30 30 TYR CA C 30 57.018 57.018 57.807 -0.789 18749
5718 1 17 . 1 1 30 30 TYR CB C 30 43.459 43.459 39.941 3.518 18749
5719 1 17 . 1 1 30 30 TYR H H 30 7.281 7.281 8.116 -0.835 18749
5720 1 17 . 1 1 31 31 LYS C C 31 177.018 177.018 175.848 1.170 18749
5721 1 17 . 1 1 32 32 HIS N N 32 116.170 116.170 118.883 -2.713 18749
5722 1 17 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.540 -0.738 18749
5723 1 17 . 1 1 32 32 HIS C C 32 173.979 173.979 177.125 -3.146 18749
5724 1 17 . 1 1 32 32 HIS CA C 32 55.136 55.136 59.101 -3.965 18749
5725 1 17 . 1 1 32 32 HIS CB C 32 33.128 33.128 29.945 3.183 18749
5726 1 17 . 1 1 32 32 HIS H H 32 7.691 7.691 8.581 -0.890 18749
5727 1 17 . 1 1 33 33 THR N N 33 108.605 108.605 109.762 -1.157 18749
5728 1 17 . 1 1 33 33 THR HA H 33 4.424 4.424 4.402 0.022 18749
5729 1 17 . 1 1 33 33 THR C C 33 175.107 175.107 175.317 -0.210 18749
5730 1 17 . 1 1 33 33 THR CA C 33 60.218 60.218 63.194 -2.976 18749
5731 1 17 . 1 1 33 33 THR CB C 33 69.476 69.476 69.348 0.128 18749
5732 1 17 . 1 1 33 33 THR H H 33 8.051 8.051 7.891 0.160 18749
5733 1 17 . 1 1 34 34 ASP N N 34 121.404 121.404 120.754 0.650 18749
5734 1 17 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.475 0.115 18749
5735 1 17 . 1 1 34 34 ASP C C 34 175.334 175.334 177.149 -1.815 18749
5736 1 17 . 1 1 34 34 ASP CA C 34 53.564 53.564 56.701 -3.137 18749
5737 1 17 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.529 -0.110 18749
5738 1 17 . 1 1 34 34 ASP H H 34 7.973 7.973 8.131 -0.158 18749
5739 1 17 . 1 1 35 35 MET N N 35 119.898 119.898 117.054 2.844 18749
5740 1 17 . 1 1 35 35 MET HA H 35 4.398 4.398 4.282 0.116 18749
5741 1 17 . 1 1 35 35 MET C C 35 174.846 174.846 176.298 -1.452 18749
5742 1 17 . 1 1 35 35 MET CA C 35 55.631 55.631 57.151 -1.520 18749
5743 1 17 . 1 1 35 35 MET CB C 35 33.382 33.382 33.109 0.273 18749
5744 1 17 . 1 1 35 35 MET H H 35 7.585 7.585 7.638 -0.053 18749
5745 1 17 . 1 1 36 36 ASP N N 36 123.631 123.631 114.934 8.697 18749
5746 1 17 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.815 -0.329 18749
5747 1 17 . 1 1 36 36 ASP C C 36 176.456 176.456 173.860 2.596 18749
5748 1 17 . 1 1 36 36 ASP CA C 36 54.279 54.279 52.793 1.486 18749
5749 1 17 . 1 1 36 36 ASP CB C 36 41.156 41.156 42.537 -1.381 18749
5750 1 17 . 1 1 36 36 ASP H H 36 8.360 8.360 7.857 0.503 18749
5751 1 17 . 1 1 37 37 LEU N N 37 123.812 123.812 120.415 3.397 18749
5752 1 17 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.369 -0.066 18749
5753 1 17 . 1 1 37 37 LEU C C 37 177.554 177.554 177.143 0.411 18749
5754 1 17 . 1 1 37 37 LEU CA C 37 55.317 55.317 55.832 -0.515 18749
5755 1 17 . 1 1 37 37 LEU CB C 37 41.945 41.945 42.137 -0.192 18749
5756 1 17 . 1 1 37 37 LEU H H 37 8.224 8.224 8.576 -0.352 18749
5757 1 17 . 1 1 38 38 THR N N 38 113.723 113.723 114.324 -0.601 18749
5758 1 17 . 1 1 38 38 THR HA H 38 4.153 4.153 4.384 -0.231 18749
5759 1 17 . 1 1 38 38 THR C C 38 174.786 174.786 173.905 0.881 18749
5760 1 17 . 1 1 38 38 THR CA C 38 62.673 62.673 60.093 2.580 18749
5761 1 17 . 1 1 38 38 THR CB C 38 69.792 69.792 70.426 -0.634 18749
5762 1 17 . 1 1 38 38 THR H H 38 8.321 8.321 7.856 0.465 18749
5763 1 17 . 1 1 39 39 TYR N N 39 121.098 121.098 120.508 0.590 18749
5764 1 17 . 1 1 39 39 TYR C C 39 175.992 175.992 176.344 -0.352 18749
5765 1 17 . 1 1 39 39 TYR CA C 39 58.083 58.083 58.408 -0.325 18749
5766 1 17 . 1 1 39 39 TYR CB C 39 38.309 38.309 38.930 -0.621 18749
5767 1 17 . 1 1 39 39 TYR H H 39 7.920 7.920 8.512 -0.592 18749
5768 1 17 . 1 1 40 40 THR N N 40 113.380 113.380 118.848 -5.468 18749
5769 1 17 . 1 1 40 40 THR C C 40 174.356 174.356 174.897 -0.541 18749
5770 1 17 . 1 1 40 40 THR CA C 40 61.801 61.801 62.527 -0.726 18749
5771 1 17 . 1 1 40 40 THR CB C 40 69.965 69.965 69.577 0.388 18749
5772 1 17 . 1 1 40 40 THR H H 40 7.885 7.885 8.221 -0.336 18749
5773 1 17 . 1 1 41 41 ASP N N 41 121.537 121.537 126.838 -5.301 18749
5774 1 17 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.614 -0.146 18749
5775 1 17 . 1 1 41 41 ASP C C 41 176.338 176.338 175.996 0.342 18749
5776 1 17 . 1 1 41 41 ASP CA C 41 54.674 54.674 53.964 0.710 18749
5777 1 17 . 1 1 41 41 ASP CB C 41 40.996 40.996 41.015 -0.019 18749
5778 1 17 . 1 1 41 41 ASP H H 41 8.184 8.184 8.607 -0.423 18749
5779 1 17 . 1 1 42 42 ARG N N 42 119.745 119.745 124.209 -4.464 18749
5780 1 17 . 1 1 42 42 ARG HA H 42 4.171 4.171 4.249 -0.078 18749
5781 1 17 . 1 1 42 42 ARG C C 42 175.906 175.906 175.686 0.220 18749
5782 1 17 . 1 1 42 42 ARG CA C 42 56.644 56.644 55.611 1.033 18749
5783 1 17 . 1 1 42 42 ARG CB C 42 30.788 30.788 31.054 -0.266 18749
5784 1 17 . 1 1 42 42 ARG H H 42 7.997 7.997 7.917 0.080 18749
5785 1 17 . 1 1 43 43 ASP N N 43 119.314 119.314 121.745 -2.431 18749
5786 1 17 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.601 -0.098 18749
5787 1 17 . 1 1 43 43 ASP C C 43 175.599 175.599 176.214 -0.615 18749
5788 1 17 . 1 1 43 43 ASP CA C 43 54.368 54.368 54.555 -0.187 18749
5789 1 17 . 1 1 43 43 ASP CB C 43 41.071 41.071 40.405 0.666 18749
5790 1 17 . 1 1 43 43 ASP H H 43 8.181 8.181 8.447 -0.266 18749
5791 1 17 . 1 1 44 44 TYR N N 44 120.178 120.178 123.685 -3.507 18749
5792 1 17 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.218 0.106 18749
5793 1 17 . 1 1 44 44 TYR C C 44 175.321 175.321 176.283 -0.962 18749
5794 1 17 . 1 1 44 44 TYR CA C 44 58.553 58.553 60.175 -1.623 18749
5795 1 17 . 1 1 44 44 TYR CB C 44 38.614 38.614 39.025 -0.411 18749
5796 1 17 . 1 1 44 44 TYR H H 44 7.806 7.806 8.357 -0.551 18749
5797 1 17 . 1 1 45 45 LYS N N 45 123.353 123.353 118.366 4.987 18749
5798 1 17 . 1 1 45 45 LYS CA C 45 55.745 55.745 55.510 0.235 18749
5799 1 17 . 1 1 45 45 LYS CB C 45 33.789 33.789 34.328 -0.539 18749
5800 1 17 . 1 1 45 45 LYS H H 45 7.731 7.731 8.023 -0.292 18749
5801 1 17 . 1 1 47 47 CYS N N 47 125.060 125.060 124.424 0.636 18749
5802 1 17 . 1 1 47 47 CYS H H 47 8.811 8.811 8.924 -0.113 18749
5803 1 17 . 1 1 48 48 GLU C C 48 178.473 178.473 174.572 3.901 18749
5804 1 17 . 1 1 49 49 SER N N 49 120.359 120.359 115.605 4.754 18749
5805 1 17 . 1 1 49 49 SER C C 49 172.276 172.276 173.700 -1.424 18749
5806 1 17 . 1 1 49 49 SER CA C 49 61.125 61.125 58.518 2.607 18749
5807 1 17 . 1 1 49 49 SER CB C 49 63.224 63.224 63.733 -0.508 18749
5808 1 17 . 1 1 49 49 SER H H 49 8.737 8.737 8.420 0.317 18749
5809 1 17 . 1 1 50 50 TYR N N 50 110.556 110.556 127.831 -17.275 18749
5810 1 17 . 1 1 50 50 TYR C C 50 175.624 175.624 175.192 0.432 18749
5811 1 17 . 1 1 50 50 TYR CA C 50 59.205 59.205 60.514 -1.308 18749
5812 1 17 . 1 1 50 50 TYR CB C 50 38.197 38.197 38.977 -0.780 18749
5813 1 17 . 1 1 50 50 TYR H H 50 6.326 6.326 9.055 -2.729 18749
5814 1 17 . 1 1 51 51 HIS N N 51 119.871 119.871 110.619 9.252 18749
5815 1 17 . 1 1 51 51 HIS HA H 51 3.757 3.757 4.415 -0.658 18749
5816 1 17 . 1 1 51 51 HIS C C 51 176.588 176.588 173.556 3.032 18749
5817 1 17 . 1 1 51 51 HIS CA C 51 59.323 59.323 56.798 2.525 18749
5818 1 17 . 1 1 51 51 HIS CB C 51 27.514 27.514 31.769 -4.255 18749
5819 1 17 . 1 1 51 51 HIS H H 51 5.890 5.890 8.293 -2.403 18749
5820 1 17 . 1 1 52 52 LYS N N 52 122.505 122.505 120.209 2.296 18749
5821 1 17 . 1 1 52 52 LYS C C 52 178.958 178.958 176.046 2.912 18749
5822 1 17 . 1 1 52 52 LYS CA C 52 58.922 58.922 57.165 1.757 18749
5823 1 17 . 1 1 52 52 LYS CB C 52 31.291 31.291 31.057 0.234 18749
5824 1 17 . 1 1 52 52 LYS H H 52 7.660 7.660 8.599 -0.939 18749
5825 1 17 . 1 1 53 53 CYS N N 53 117.268 117.268 117.673 -0.405 18749
5826 1 17 . 1 1 53 53 CYS C C 53 179.241 179.241 175.780 3.461 18749
5827 1 17 . 1 1 53 53 CYS CA C 53 64.802 64.802 60.581 4.221 18749
5828 1 17 . 1 1 53 53 CYS CB C 53 30.906 30.906 28.418 2.488 18749
5829 1 17 . 1 1 53 53 CYS H H 53 8.256 8.256 8.824 -0.568 18749
5830 1 17 . 1 1 54 54 SER N N 54 111.716 111.716 115.790 -4.074 18749
5831 1 17 . 1 1 54 54 SER HA H 54 3.839 3.839 4.578 -0.739 18749
5832 1 17 . 1 1 54 54 SER C C 54 175.922 175.922 173.687 2.235 18749
5833 1 17 . 1 1 54 54 SER CA C 54 60.263 60.263 55.600 4.663 18749
5834 1 17 . 1 1 54 54 SER CB C 54 64.120 64.120 62.588 1.532 18749
5835 1 17 . 1 1 54 54 SER H H 54 7.671 7.671 8.043 -0.372 18749
5836 1 17 . 1 1 55 55 ASP N N 55 119.056 119.056 123.785 -4.729 18749
5837 1 17 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.283 0.012 18749
5838 1 17 . 1 1 55 55 ASP C C 55 178.101 178.101 177.927 0.174 18749
5839 1 17 . 1 1 55 55 ASP CA C 55 57.387 57.387 55.996 1.391 18749
5840 1 17 . 1 1 55 55 ASP CB C 55 40.315 40.315 40.212 0.103 18749
5841 1 17 . 1 1 55 55 ASP H H 55 7.438 7.438 8.755 -1.317 18749
5842 1 17 . 1 1 56 56 LEU N N 56 118.324 118.324 118.606 -0.282 18749
5843 1 17 . 1 1 56 56 LEU HA H 56 4.168 4.168 4.117 0.051 18749
5844 1 17 . 1 1 56 56 LEU C C 56 176.250 176.250 177.268 -1.018 18749
5845 1 17 . 1 1 56 56 LEU CA C 56 55.333 55.333 55.974 -0.641 18749
5846 1 17 . 1 1 56 56 LEU CB C 56 43.173 43.173 41.778 1.395 18749
5847 1 17 . 1 1 56 56 LEU H H 56 7.565 7.565 7.576 -0.011 18749
5848 1 17 . 1 1 57 57 CYS N N 57 124.095 124.095 118.672 5.423 18749
5849 1 17 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.599 -0.344 18749
5850 1 17 . 1 1 57 57 CYS C C 57 177.371 177.371 175.495 1.876 18749
5851 1 17 . 1 1 57 57 CYS CA C 57 59.255 59.255 57.806 1.449 18749
5852 1 17 . 1 1 57 57 CYS CB C 57 30.128 30.128 27.674 2.454 18749
5853 1 17 . 1 1 57 57 CYS H H 57 7.265 7.265 7.810 -0.545 18749
5854 1 17 . 1 1 58 58 GLN N N 58 131.839 131.839 129.287 2.552 18749
5855 1 17 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.083 -0.160 18749
5856 1 17 . 1 1 58 58 GLN C C 58 178.435 178.435 177.100 1.335 18749
5857 1 17 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.539 0.749 18749
5858 1 17 . 1 1 58 58 GLN CB C 58 28.195 28.195 28.399 -0.204 18749
5859 1 17 . 1 1 58 58 GLN H H 58 9.451 9.451 9.040 0.411 18749
5860 1 17 . 1 1 59 59 TYR N N 59 124.026 124.026 120.456 3.570 18749
5861 1 17 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.630 -0.201 18749
5862 1 17 . 1 1 59 59 TYR C C 59 178.722 178.722 177.089 1.633 18749
5863 1 17 . 1 1 59 59 TYR CA C 59 60.295 60.295 61.141 -0.846 18749
5864 1 17 . 1 1 59 59 TYR CB C 59 38.591 38.591 38.892 -0.301 18749
5865 1 17 . 1 1 59 59 TYR H H 59 8.699 8.699 8.137 0.562 18749
5866 1 17 . 1 1 60 60 CYS N N 60 122.268 122.268 118.064 4.204 18749
5867 1 17 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.614 -0.297 18749
5868 1 17 . 1 1 60 60 CYS C C 60 176.011 176.011 176.790 -0.779 18749
5869 1 17 . 1 1 60 60 CYS CA C 60 64.499 64.499 61.664 2.835 18749
5870 1 17 . 1 1 60 60 CYS CB C 60 30.203 30.203 26.080 4.123 18749
5871 1 17 . 1 1 60 60 CYS H H 60 8.432 8.432 8.011 0.421 18749
5872 1 17 . 1 1 61 61 ARG N N 61 116.449 116.449 118.723 -2.274 18749
5873 1 17 . 1 1 61 61 ARG HA H 61 3.895 3.895 3.947 -0.052 18749
5874 1 17 . 1 1 61 61 ARG C C 61 176.965 176.965 178.254 -1.289 18749
5875 1 17 . 1 1 61 61 ARG CA C 61 58.336 58.336 59.258 -0.922 18749
5876 1 17 . 1 1 61 61 ARG CB C 61 29.771 29.771 29.880 -0.109 18749
5877 1 17 . 1 1 61 61 ARG H H 61 7.265 7.265 7.729 -0.464 18749
5878 1 17 . 1 1 62 62 TYR N N 62 117.341 117.341 115.537 1.804 18749
5879 1 17 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.476 -0.007 18749
5880 1 17 . 1 1 62 62 TYR C C 62 175.562 175.562 177.075 -1.513 18749
5881 1 17 . 1 1 62 62 TYR CA C 62 58.566 58.566 59.607 -1.041 18749
5882 1 17 . 1 1 62 62 TYR CB C 62 39.182 39.182 39.767 -0.585 18749
5883 1 17 . 1 1 62 62 TYR H H 62 7.259 7.259 7.547 -0.288 18749
5884 1 17 . 1 1 63 63 GLN N N 63 121.663 121.663 118.037 3.626 18749
5885 1 17 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.530 -0.320 18749
5886 1 17 . 1 1 63 63 GLN C C 63 173.076 173.076 174.919 -1.843 18749
5887 1 17 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.753 -0.261 18749
5888 1 17 . 1 1 63 63 GLN CB C 63 29.401 29.401 31.755 -2.354 18749
5889 1 17 . 1 1 63 63 GLN H H 63 7.856 7.856 8.230 -0.374 18749
5890 1 17 . 1 1 64 64 LYS N N 64 127.668 127.668 125.562 2.106 18749
5891 1 17 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.169 0.132 18749
5892 1 17 . 1 1 64 64 LYS C C 64 177.301 177.301 176.019 1.282 18749
5893 1 17 . 1 1 64 64 LYS CA C 64 58.182 58.182 57.104 1.078 18749
5894 1 17 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.368 0.145 18749
5895 1 17 . 1 1 64 64 LYS H H 64 8.204 8.204 8.645 -0.441 18749
5896 1 17 . 1 1 65 65 ASP N N 65 131.040 131.040 123.720 7.320 18749
5897 1 17 . 1 1 65 65 ASP C C 65 174.529 174.529 177.146 -2.617 18749
5898 1 17 . 1 1 65 65 ASP CA C 65 53.232 53.232 54.082 -0.850 18749
5899 1 17 . 1 1 65 65 ASP CB C 65 41.222 41.222 41.072 0.150 18749
5900 1 17 . 1 1 65 65 ASP H H 65 8.677 8.677 8.559 0.118 18749
5901 1 17 . 1 1 66 66 LEU N N 66 125.688 125.688 121.127 4.561 18749
5902 1 17 . 1 1 66 66 LEU HA H 66 4.088 4.088 4.121 -0.033 18749
5903 1 17 . 1 1 66 66 LEU C C 66 178.676 178.676 178.297 0.379 18749
5904 1 17 . 1 1 66 66 LEU CA C 66 57.836 57.836 56.805 1.031 18749
5905 1 17 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.215 1.981 18749
5906 1 17 . 1 1 66 66 LEU H H 66 8.733 8.733 8.113 0.620 18749
5907 1 17 . 1 1 67 67 ALA N N 67 119.916 119.916 122.948 -3.032 18749
5908 1 17 . 1 1 67 67 ALA C C 67 180.513 180.513 178.945 1.568 18749
5909 1 17 . 1 1 67 67 ALA CA C 67 55.151 55.151 54.559 0.592 18749
5910 1 17 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.572 -0.454 18749
5911 1 17 . 1 1 67 67 ALA H H 67 8.076 8.076 8.066 0.010 18749
5912 1 17 . 1 1 68 68 ILE N N 68 119.735 119.735 114.570 5.165 18749
5913 1 17 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.840 -0.181 18749
5914 1 17 . 1 1 68 68 ILE C C 68 177.647 177.647 177.641 0.006 18749
5915 1 17 . 1 1 68 68 ILE CA C 68 63.267 63.267 64.530 -1.263 18749
5916 1 17 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.407 -0.069 18749
5917 1 17 . 1 1 68 68 ILE H H 68 7.342 7.342 7.290 0.052 18749
5918 1 17 . 1 1 69 69 HIS N N 69 119.542 119.542 119.157 0.385 18749
5919 1 17 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.228 0.075 18749
5920 1 17 . 1 1 69 69 HIS CA C 69 59.224 59.224 58.625 0.599 18749
5921 1 17 . 1 1 69 69 HIS CB C 69 28.569 28.569 30.266 -1.697 18749
5922 1 17 . 1 1 69 69 HIS H H 69 6.608 6.608 8.143 -1.535 18749
5923 1 17 . 1 1 84 84 GLY C C 84 174.391 174.391 174.002 0.389 18749
5924 1 17 . 1 1 84 84 GLY CA C 84 45.472 45.472 45.381 0.091 18749
5925 1 17 . 1 1 85 85 THR N N 85 112.734 112.734 113.109 -0.375 18749
5926 1 17 . 1 1 85 85 THR C C 85 175.056 175.056 175.984 -0.928 18749
5927 1 17 . 1 1 85 85 THR CA C 85 61.980 61.980 61.294 0.686 18749
5928 1 17 . 1 1 85 85 THR CB C 85 69.868 69.868 69.983 -0.115 18749
5929 1 17 . 1 1 85 85 THR H H 85 8.012 8.012 7.385 0.627 18749
5930 1 17 . 1 1 86 86 GLY N N 86 111.173 111.173 109.598 1.575 18749
5931 1 17 . 1 1 86 86 GLY C C 86 172.909 172.909 174.659 -1.750 18749
5932 1 17 . 1 1 86 86 GLY CA C 86 45.268 45.268 46.069 -0.801 18749
5933 1 17 . 1 1 86 86 GLY H H 86 8.276 8.276 8.860 -0.584 18749
5934 1 18 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.597 -0.206 18749
5935 1 18 . 1 1 4 4 PRO C C 4 176.097 176.097 177.334 -1.237 18749
5936 1 18 . 1 1 4 4 PRO CA C 4 62.965 62.965 62.550 0.415 18749
5937 1 18 . 1 1 4 4 PRO CB C 4 31.902 31.902 32.387 -0.485 18749
5938 1 18 . 1 1 5 5 VAL N N 5 121.993 121.993 121.781 0.212 18749
5939 1 18 . 1 1 5 5 VAL HA H 5 4.341 4.341 4.025 0.316 18749
5940 1 18 . 1 1 5 5 VAL CA C 5 59.763 59.763 65.296 -5.533 18749
5941 1 18 . 1 1 5 5 VAL CB C 5 32.567 32.567 29.677 2.890 18749
5942 1 18 . 1 1 5 5 VAL H H 5 8.149 8.149 8.489 -0.340 18749
5943 1 18 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.300 -0.044 18749
5944 1 18 . 1 1 6 6 PRO C C 6 176.167 176.167 176.464 -0.297 18749
5945 1 18 . 1 1 6 6 PRO CA C 6 63.138 63.138 65.030 -1.892 18749
5946 1 18 . 1 1 6 6 PRO CB C 6 31.877 31.877 31.943 -0.066 18749
5947 1 18 . 1 1 7 7 TYR N N 7 121.107 121.107 117.184 3.923 18749
5948 1 18 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.700 -0.257 18749
5949 1 18 . 1 1 7 7 TYR CA C 7 55.602 55.602 54.791 0.811 18749
5950 1 18 . 1 1 7 7 TYR CB C 7 38.212 38.212 39.071 -0.858 18749
5951 1 18 . 1 1 7 7 TYR H H 7 7.945 7.945 7.705 0.240 18749
5952 1 18 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.468 -0.180 18749
5953 1 18 . 1 1 8 8 PRO C C 8 176.122 176.122 175.472 0.650 18749
5954 1 18 . 1 1 8 8 PRO CA C 8 62.983 62.983 62.409 0.574 18749
5955 1 18 . 1 1 8 8 PRO CB C 8 31.913 31.913 32.337 -0.424 18749
5956 1 18 . 1 1 9 9 ASP N N 9 122.332 122.332 117.999 4.333 18749
5957 1 18 . 1 1 9 9 ASP HA H 9 4.466 4.466 4.496 -0.030 18749
5958 1 18 . 1 1 9 9 ASP CA C 9 52.317 52.317 52.541 -0.224 18749
5959 1 18 . 1 1 9 9 ASP CB C 9 41.371 41.371 39.879 1.492 18749
5960 1 18 . 1 1 9 9 ASP H H 9 8.204 8.204 8.285 -0.081 18749
5961 1 18 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.351 -0.042 18749
5962 1 18 . 1 1 10 10 PRO C C 10 177.003 177.003 176.805 0.198 18749
5963 1 18 . 1 1 10 10 PRO CA C 10 63.635 63.635 63.726 -0.091 18749
5964 1 18 . 1 1 10 10 PRO CB C 10 32.207 32.207 31.831 0.376 18749
5965 1 18 . 1 1 11 11 LEU N N 11 120.566 120.566 118.053 2.513 18749
5966 1 18 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.105 0.116 18749
5967 1 18 . 1 1 11 11 LEU C C 11 177.277 177.277 178.342 -1.065 18749
5968 1 18 . 1 1 11 11 LEU CA C 11 54.938 54.938 56.452 -1.514 18749
5969 1 18 . 1 1 11 11 LEU CB C 11 41.908 41.908 41.778 0.130 18749
5970 1 18 . 1 1 11 11 LEU H H 11 8.295 8.295 7.530 0.765 18749
5971 1 18 . 1 1 12 12 GLU N N 12 122.415 122.415 118.259 4.156 18749
5972 1 18 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.211 0.173 18749
5973 1 18 . 1 1 12 12 GLU CA C 12 54.384 54.384 57.802 -3.418 18749
5974 1 18 . 1 1 12 12 GLU CB C 12 29.988 29.988 28.155 1.833 18749
5975 1 18 . 1 1 12 12 GLU H H 12 7.857 7.857 7.954 -0.097 18749
5976 1 18 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.399 -0.150 18749
5977 1 18 . 1 1 13 13 PRO C C 13 177.132 177.132 176.171 0.961 18749
5978 1 18 . 1 1 13 13 PRO CA C 13 63.458 63.458 63.360 0.098 18749
5979 1 18 . 1 1 13 13 PRO CB C 13 31.862 31.862 31.894 -0.032 18749
5980 1 18 . 1 1 14 14 ARG N N 14 121.214 121.214 122.061 -0.847 18749
5981 1 18 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.379 -0.220 18749
5982 1 18 . 1 1 14 14 ARG CA C 14 56.162 56.162 56.183 -0.021 18749
5983 1 18 . 1 1 14 14 ARG CB C 14 30.632 30.632 30.972 -0.340 18749
5984 1 18 . 1 1 14 14 ARG H H 14 8.337 8.337 8.391 -0.054 18749
5985 1 18 . 1 1 15 15 GLY N N 15 109.686 109.686 109.583 0.103 18749
5986 1 18 . 1 1 15 15 GLY C C 15 174.130 174.130 174.719 -0.589 18749
5987 1 18 . 1 1 15 15 GLY CA C 15 45.312 45.312 44.565 0.748 18749
5988 1 18 . 1 1 15 15 GLY H H 15 8.280 8.280 8.731 -0.451 18749
5989 1 18 . 1 1 16 16 GLY N N 16 108.011 108.011 109.251 -1.240 18749
5990 1 18 . 1 1 16 16 GLY C C 16 172.056 172.056 176.081 -4.025 18749
5991 1 18 . 1 1 16 16 GLY CA C 16 44.895 44.895 45.929 -1.034 18749
5992 1 18 . 1 1 16 16 GLY H H 16 7.764 7.764 8.482 -0.718 18749
5993 1 18 . 1 1 17 17 LYS N N 17 117.049 117.049 119.819 -2.770 18749
5994 1 18 . 1 1 17 17 LYS HA H 17 4.135 4.135 4.071 0.064 18749
5995 1 18 . 1 1 17 17 LYS C C 17 175.259 175.259 177.324 -2.065 18749
5996 1 18 . 1 1 17 17 LYS CA C 17 53.914 53.914 58.268 -4.354 18749
5997 1 18 . 1 1 17 17 LYS CB C 17 35.219 35.219 31.857 3.362 18749
5998 1 18 . 1 1 17 17 LYS H H 17 7.347 7.347 8.336 -0.989 18749
5999 1 18 . 1 1 18 18 HIS N N 18 120.426 120.426 116.269 4.157 18749
6000 1 18 . 1 1 18 18 HIS C C 18 175.419 175.419 174.972 0.447 18749
6001 1 18 . 1 1 18 18 HIS CA C 18 57.086 57.086 57.773 -0.687 18749
6002 1 18 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.225 0.267 18749
6003 1 18 . 1 1 19 19 ILE N N 19 126.193 126.193 117.114 9.079 18749
6004 1 18 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.443 0.011 18749
6005 1 18 . 1 1 19 19 ILE C C 19 175.138 175.138 175.105 0.033 18749
6006 1 18 . 1 1 19 19 ILE CA C 19 59.189 59.189 59.722 -0.533 18749
6007 1 18 . 1 1 19 19 ILE CB C 19 41.816 41.816 39.208 2.608 18749
6008 1 18 . 1 1 19 19 ILE H H 19 8.180 8.180 7.084 1.096 18749
6009 1 18 . 1 1 20 20 CYS N N 20 127.805 127.805 126.907 0.898 18749
6010 1 18 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.535 0.380 18749
6011 1 18 . 1 1 20 20 CYS C C 20 174.996 174.996 175.987 -0.991 18749
6012 1 18 . 1 1 20 20 CYS CA C 20 57.370 57.370 58.541 -1.171 18749
6013 1 18 . 1 1 20 20 CYS CB C 20 32.008 32.008 29.369 2.639 18749
6014 1 18 . 1 1 20 20 CYS H H 20 8.382 8.382 8.879 -0.497 18749
6015 1 18 . 1 1 21 21 ALA N N 21 135.406 135.406 129.271 6.135 18749
6016 1 18 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.253 -0.091 18749
6017 1 18 . 1 1 21 21 ALA C C 21 177.885 177.885 177.651 0.234 18749
6018 1 18 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.411 0.081 18749
6019 1 18 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.958 0.667 18749
6020 1 18 . 1 1 21 21 ALA H H 21 8.742 8.742 8.824 -0.082 18749
6021 1 18 . 1 1 22 22 ILE N N 22 119.063 119.063 116.445 2.618 18749
6022 1 18 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.160 -0.299 18749
6023 1 18 . 1 1 22 22 ILE C C 22 176.914 176.914 177.104 -0.190 18749
6024 1 18 . 1 1 22 22 ILE CA C 22 63.218 63.218 62.336 0.882 18749
6025 1 18 . 1 1 22 22 ILE CB C 22 37.371 37.371 39.353 -1.982 18749
6026 1 18 . 1 1 22 22 ILE H H 22 8.150 8.150 7.475 0.675 18749
6027 1 18 . 1 1 23 23 CYS N N 23 114.362 114.362 118.366 -4.004 18749
6028 1 18 . 1 1 23 23 CYS C C 23 176.216 176.216 176.085 0.131 18749
6029 1 18 . 1 1 23 23 CYS CA C 23 57.878 57.878 59.562 -1.684 18749
6030 1 18 . 1 1 23 23 CYS CB C 23 30.456 30.456 26.401 4.055 18749
6031 1 18 . 1 1 23 23 CYS H H 23 7.238 7.238 8.361 -1.123 18749
6032 1 18 . 1 1 24 24 GLY N N 24 111.898 111.898 108.270 3.628 18749
6033 1 18 . 1 1 24 24 GLY C C 24 173.367 173.367 174.387 -1.020 18749
6034 1 18 . 1 1 24 24 GLY CA C 24 46.222 46.222 46.556 -0.334 18749
6035 1 18 . 1 1 24 24 GLY H H 24 7.566 7.566 8.477 -0.911 18749
6036 1 18 . 1 1 25 25 ASN N N 25 117.684 117.684 115.431 2.253 18749
6037 1 18 . 1 1 25 25 ASN HA H 25 4.763 4.763 5.060 -0.297 18749
6038 1 18 . 1 1 25 25 ASN C C 25 174.631 174.631 174.355 0.276 18749
6039 1 18 . 1 1 25 25 ASN CA C 25 51.901 51.901 53.235 -1.334 18749
6040 1 18 . 1 1 25 25 ASN CB C 25 40.666 40.666 39.934 0.732 18749
6041 1 18 . 1 1 25 25 ASN H H 25 7.781 7.781 8.538 -0.757 18749
6042 1 18 . 1 1 26 26 ASN N N 26 118.294 118.294 117.730 0.564 18749
6043 1 18 . 1 1 26 26 ASN HA H 26 4.570 4.570 4.778 -0.208 18749
6044 1 18 . 1 1 26 26 ASN C C 26 175.502 175.502 175.028 0.474 18749
6045 1 18 . 1 1 26 26 ASN CA C 26 53.980 53.980 53.600 0.380 18749
6046 1 18 . 1 1 26 26 ASN CB C 26 38.066 38.066 38.327 -0.261 18749
6047 1 18 . 1 1 26 26 ASN H H 26 8.562 8.562 8.469 0.093 18749
6048 1 18 . 1 1 27 27 ALA N N 27 126.538 126.538 122.582 3.956 18749
6049 1 18 . 1 1 27 27 ALA C C 27 177.920 177.920 175.834 2.086 18749
6050 1 18 . 1 1 27 27 ALA CA C 27 53.567 53.567 52.120 1.447 18749
6051 1 18 . 1 1 27 27 ALA CB C 27 18.852 18.852 17.090 1.762 18749
6052 1 18 . 1 1 27 27 ALA H H 27 8.217 8.217 8.336 -0.119 18749
6053 1 18 . 1 1 28 28 GLU N N 28 112.911 112.911 119.228 -6.317 18749
6054 1 18 . 1 1 28 28 GLU HA H 28 4.099 4.099 4.398 -0.299 18749
6055 1 18 . 1 1 28 28 GLU C C 28 177.423 177.423 176.116 1.307 18749
6056 1 18 . 1 1 28 28 GLU CA C 28 57.783 57.783 56.935 0.848 18749
6057 1 18 . 1 1 28 28 GLU CB C 28 30.926 30.926 31.845 -0.919 18749
6058 1 18 . 1 1 28 28 GLU H H 28 8.608 8.608 8.000 0.608 18749
6059 1 18 . 1 1 29 29 ASP N N 29 116.209 116.209 117.955 -1.746 18749
6060 1 18 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.547 -0.113 18749
6061 1 18 . 1 1 29 29 ASP C C 29 174.486 174.486 175.449 -0.963 18749
6062 1 18 . 1 1 29 29 ASP CA C 29 55.349 55.349 54.628 0.721 18749
6063 1 18 . 1 1 29 29 ASP CB C 29 42.596 42.596 42.328 0.268 18749
6064 1 18 . 1 1 29 29 ASP H H 29 7.272 7.272 7.902 -0.630 18749
6065 1 18 . 1 1 30 30 TYR N N 30 116.344 116.344 121.670 -5.326 18749
6066 1 18 . 1 1 30 30 TYR CA C 30 57.018 57.018 58.448 -1.430 18749
6067 1 18 . 1 1 30 30 TYR CB C 30 43.459 43.459 39.193 4.266 18749
6068 1 18 . 1 1 30 30 TYR H H 30 7.281 7.281 8.017 -0.736 18749
6069 1 18 . 1 1 31 31 LYS C C 31 177.018 177.018 176.000 1.018 18749
6070 1 18 . 1 1 32 32 HIS N N 32 116.170 116.170 119.567 -3.397 18749
6071 1 18 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.549 -0.747 18749
6072 1 18 . 1 1 32 32 HIS C C 32 173.979 173.979 177.005 -3.026 18749
6073 1 18 . 1 1 32 32 HIS CA C 32 55.136 55.136 59.411 -4.275 18749
6074 1 18 . 1 1 32 32 HIS CB C 32 33.128 33.128 30.141 2.987 18749
6075 1 18 . 1 1 32 32 HIS H H 32 7.691 7.691 8.567 -0.876 18749
6076 1 18 . 1 1 33 33 THR N N 33 108.605 108.605 110.503 -1.898 18749
6077 1 18 . 1 1 33 33 THR HA H 33 4.424 4.424 4.307 0.117 18749
6078 1 18 . 1 1 33 33 THR C C 33 175.107 175.107 175.310 -0.203 18749
6079 1 18 . 1 1 33 33 THR CA C 33 60.218 60.218 64.426 -4.208 18749
6080 1 18 . 1 1 33 33 THR CB C 33 69.476 69.476 69.069 0.407 18749
6081 1 18 . 1 1 33 33 THR H H 33 8.051 8.051 8.057 -0.006 18749
6082 1 18 . 1 1 34 34 ASP N N 34 121.404 121.404 120.799 0.605 18749
6083 1 18 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.540 0.050 18749
6084 1 18 . 1 1 34 34 ASP C C 34 175.334 175.334 176.194 -0.860 18749
6085 1 18 . 1 1 34 34 ASP CA C 34 53.564 53.564 55.817 -2.253 18749
6086 1 18 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.825 -0.405 18749
6087 1 18 . 1 1 34 34 ASP H H 34 7.973 7.973 8.187 -0.214 18749
6088 1 18 . 1 1 35 35 MET N N 35 119.898 119.898 118.993 0.905 18749
6089 1 18 . 1 1 35 35 MET HA H 35 4.398 4.398 4.391 0.007 18749
6090 1 18 . 1 1 35 35 MET C C 35 174.846 174.846 175.992 -1.146 18749
6091 1 18 . 1 1 35 35 MET CA C 35 55.631 55.631 56.013 -0.382 18749
6092 1 18 . 1 1 35 35 MET CB C 35 33.382 33.382 33.248 0.134 18749
6093 1 18 . 1 1 35 35 MET H H 35 7.585 7.585 7.437 0.148 18749
6094 1 18 . 1 1 36 36 ASP N N 36 123.631 123.631 125.032 -1.401 18749
6095 1 18 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.676 -0.190 18749
6096 1 18 . 1 1 36 36 ASP C C 36 176.456 176.456 176.063 0.393 18749
6097 1 18 . 1 1 36 36 ASP CA C 36 54.279 54.279 53.856 0.423 18749
6098 1 18 . 1 1 36 36 ASP CB C 36 41.156 41.156 40.223 0.933 18749
6099 1 18 . 1 1 36 36 ASP H H 36 8.360 8.360 8.466 -0.106 18749
6100 1 18 . 1 1 37 37 LEU N N 37 123.812 123.812 125.687 -1.875 18749
6101 1 18 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.559 -0.256 18749
6102 1 18 . 1 1 37 37 LEU C C 37 177.554 177.554 178.296 -0.742 18749
6103 1 18 . 1 1 37 37 LEU CA C 37 55.317 55.317 54.835 0.482 18749
6104 1 18 . 1 1 37 37 LEU CB C 37 41.945 41.945 42.635 -0.690 18749
6105 1 18 . 1 1 37 37 LEU H H 37 8.224 8.224 7.833 0.391 18749
6106 1 18 . 1 1 38 38 THR N N 38 113.723 113.723 114.058 -0.335 18749
6107 1 18 . 1 1 38 38 THR HA H 38 4.153 4.153 4.053 0.100 18749
6108 1 18 . 1 1 38 38 THR C C 38 174.786 174.786 175.295 -0.509 18749
6109 1 18 . 1 1 38 38 THR CA C 38 62.673 62.673 64.026 -1.353 18749
6110 1 18 . 1 1 38 38 THR CB C 38 69.792 69.792 69.090 0.702 18749
6111 1 18 . 1 1 38 38 THR H H 38 8.321 8.321 8.383 -0.062 18749
6112 1 18 . 1 1 39 39 TYR N N 39 121.098 121.098 123.873 -2.775 18749
6113 1 18 . 1 1 39 39 TYR C C 39 175.992 175.992 175.295 0.697 18749
6114 1 18 . 1 1 39 39 TYR CA C 39 58.083 58.083 57.647 0.436 18749
6115 1 18 . 1 1 39 39 TYR CB C 39 38.309 38.309 39.204 -0.895 18749
6116 1 18 . 1 1 39 39 TYR H H 39 7.920 7.920 7.950 -0.030 18749
6117 1 18 . 1 1 40 40 THR N N 40 113.380 113.380 120.189 -6.809 18749
6118 1 18 . 1 1 40 40 THR C C 40 174.356 174.356 173.592 0.764 18749
6119 1 18 . 1 1 40 40 THR CA C 40 61.801 61.801 62.629 -0.828 18749
6120 1 18 . 1 1 40 40 THR CB C 40 69.965 69.965 69.188 0.777 18749
6121 1 18 . 1 1 40 40 THR H H 40 7.885 7.885 7.395 0.490 18749
6122 1 18 . 1 1 41 41 ASP N N 41 121.537 121.537 123.981 -2.444 18749
6123 1 18 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.596 -0.128 18749
6124 1 18 . 1 1 41 41 ASP C C 41 176.338 176.338 175.706 0.632 18749
6125 1 18 . 1 1 41 41 ASP CA C 41 54.674 54.674 53.825 0.849 18749
6126 1 18 . 1 1 41 41 ASP CB C 41 40.996 40.996 41.530 -0.534 18749
6127 1 18 . 1 1 41 41 ASP H H 41 8.184 8.184 8.368 -0.184 18749
6128 1 18 . 1 1 42 42 ARG N N 42 119.745 119.745 125.107 -5.362 18749
6129 1 18 . 1 1 42 42 ARG HA H 42 4.171 4.171 4.261 -0.090 18749
6130 1 18 . 1 1 42 42 ARG C C 42 175.906 175.906 175.648 0.258 18749
6131 1 18 . 1 1 42 42 ARG CA C 42 56.644 56.644 55.937 0.707 18749
6132 1 18 . 1 1 42 42 ARG CB C 42 30.788 30.788 31.120 -0.332 18749
6133 1 18 . 1 1 42 42 ARG H H 42 7.997 7.997 8.363 -0.366 18749
6134 1 18 . 1 1 43 43 ASP N N 43 119.314 119.314 121.372 -2.058 18749
6135 1 18 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.548 -0.045 18749
6136 1 18 . 1 1 43 43 ASP C C 43 175.599 175.599 175.805 -0.206 18749
6137 1 18 . 1 1 43 43 ASP CA C 43 54.368 54.368 54.551 -0.183 18749
6138 1 18 . 1 1 43 43 ASP CB C 43 41.071 41.071 41.207 -0.136 18749
6139 1 18 . 1 1 43 43 ASP H H 43 8.181 8.181 8.294 -0.113 18749
6140 1 18 . 1 1 44 44 TYR N N 44 120.178 120.178 121.975 -1.797 18749
6141 1 18 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.428 -0.104 18749
6142 1 18 . 1 1 44 44 TYR C C 44 175.321 175.321 175.939 -0.618 18749
6143 1 18 . 1 1 44 44 TYR CA C 44 58.553 58.553 59.013 -0.460 18749
6144 1 18 . 1 1 44 44 TYR CB C 44 38.614 38.614 39.106 -0.492 18749
6145 1 18 . 1 1 44 44 TYR H H 44 7.806 7.806 8.507 -0.701 18749
6146 1 18 . 1 1 45 45 LYS N N 45 123.353 123.353 124.464 -1.111 18749
6147 1 18 . 1 1 45 45 LYS CA C 45 55.745 55.745 56.384 -0.639 18749
6148 1 18 . 1 1 45 45 LYS CB C 45 33.789 33.789 34.316 -0.527 18749
6149 1 18 . 1 1 45 45 LYS H H 45 7.731 7.731 8.444 -0.713 18749
6150 1 18 . 1 1 47 47 CYS N N 47 125.060 125.060 120.230 4.830 18749
6151 1 18 . 1 1 47 47 CYS H H 47 8.811 8.811 8.702 0.109 18749
6152 1 18 . 1 1 48 48 GLU C C 48 178.473 178.473 175.260 3.213 18749
6153 1 18 . 1 1 49 49 SER N N 49 120.359 120.359 116.085 4.274 18749
6154 1 18 . 1 1 49 49 SER C C 49 172.276 172.276 172.547 -0.271 18749
6155 1 18 . 1 1 49 49 SER CA C 49 61.125 61.125 57.970 3.155 18749
6156 1 18 . 1 1 49 49 SER CB C 49 63.224 63.224 64.913 -1.689 18749
6157 1 18 . 1 1 49 49 SER H H 49 8.737 8.737 8.494 0.243 18749
6158 1 18 . 1 1 50 50 TYR N N 50 110.556 110.556 121.484 -10.928 18749
6159 1 18 . 1 1 50 50 TYR C C 50 175.624 175.624 173.958 1.666 18749
6160 1 18 . 1 1 50 50 TYR CA C 50 59.205 59.205 58.376 0.829 18749
6161 1 18 . 1 1 50 50 TYR CB C 50 38.197 38.197 40.394 -2.197 18749
6162 1 18 . 1 1 50 50 TYR H H 50 6.326 6.326 7.722 -1.396 18749
6163 1 18 . 1 1 51 51 HIS N N 51 119.871 119.871 121.286 -1.415 18749
6164 1 18 . 1 1 51 51 HIS HA H 51 3.757 3.757 3.959 -0.202 18749
6165 1 18 . 1 1 51 51 HIS C C 51 176.588 176.588 174.538 2.050 18749
6166 1 18 . 1 1 51 51 HIS CA C 51 59.323 59.323 56.949 2.374 18749
6167 1 18 . 1 1 51 51 HIS CB C 51 27.514 27.514 28.678 -1.164 18749
6168 1 18 . 1 1 51 51 HIS H H 51 5.890 5.890 8.336 -2.446 18749
6169 1 18 . 1 1 52 52 LYS N N 52 122.505 122.505 123.310 -0.805 18749
6170 1 18 . 1 1 52 52 LYS C C 52 178.958 178.958 176.508 2.450 18749
6171 1 18 . 1 1 52 52 LYS CA C 52 58.922 58.922 56.591 2.331 18749
6172 1 18 . 1 1 52 52 LYS CB C 52 31.291 31.291 30.730 0.561 18749
6173 1 18 . 1 1 52 52 LYS H H 52 7.660 7.660 8.490 -0.830 18749
6174 1 18 . 1 1 53 53 CYS N N 53 117.268 117.268 120.003 -2.735 18749
6175 1 18 . 1 1 53 53 CYS C C 53 179.241 179.241 175.678 3.563 18749
6176 1 18 . 1 1 53 53 CYS CA C 53 64.802 64.802 60.534 4.268 18749
6177 1 18 . 1 1 53 53 CYS CB C 53 30.906 30.906 28.268 2.638 18749
6178 1 18 . 1 1 53 53 CYS H H 53 8.256 8.256 8.418 -0.163 18749
6179 1 18 . 1 1 54 54 SER N N 54 111.716 111.716 116.777 -5.061 18749
6180 1 18 . 1 1 54 54 SER HA H 54 3.839 3.839 4.577 -0.738 18749
6181 1 18 . 1 1 54 54 SER C C 54 175.922 175.922 173.855 2.067 18749
6182 1 18 . 1 1 54 54 SER CA C 54 60.263 60.263 58.041 2.221 18749
6183 1 18 . 1 1 54 54 SER CB C 54 64.120 64.120 62.793 1.327 18749
6184 1 18 . 1 1 54 54 SER H H 54 7.671 7.671 8.371 -0.700 18749
6185 1 18 . 1 1 55 55 ASP N N 55 119.056 119.056 124.876 -5.820 18749
6186 1 18 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.400 -0.105 18749
6187 1 18 . 1 1 55 55 ASP C C 55 178.101 178.101 177.155 0.946 18749
6188 1 18 . 1 1 55 55 ASP CA C 55 57.387 57.387 56.143 1.244 18749
6189 1 18 . 1 1 55 55 ASP CB C 55 40.315 40.315 40.596 -0.281 18749
6190 1 18 . 1 1 55 55 ASP H H 55 7.438 7.438 8.329 -0.891 18749
6191 1 18 . 1 1 56 56 LEU N N 56 118.324 118.324 117.861 0.463 18749
6192 1 18 . 1 1 56 56 LEU HA H 56 4.168 4.168 4.246 -0.078 18749
6193 1 18 . 1 1 56 56 LEU C C 56 176.250 176.250 177.550 -1.300 18749
6194 1 18 . 1 1 56 56 LEU CA C 56 55.333 55.333 55.687 -0.354 18749
6195 1 18 . 1 1 56 56 LEU CB C 56 43.173 43.173 42.131 1.042 18749
6196 1 18 . 1 1 56 56 LEU H H 56 7.565 7.565 7.566 -0.001 18749
6197 1 18 . 1 1 57 57 CYS N N 57 124.095 124.095 118.716 5.379 18749
6198 1 18 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.705 -0.450 18749
6199 1 18 . 1 1 57 57 CYS C C 57 177.371 177.371 175.382 1.989 18749
6200 1 18 . 1 1 57 57 CYS CA C 57 59.255 59.255 57.844 1.411 18749
6201 1 18 . 1 1 57 57 CYS CB C 57 30.128 30.128 27.230 2.898 18749
6202 1 18 . 1 1 57 57 CYS H H 57 7.265 7.265 7.811 -0.546 18749
6203 1 18 . 1 1 58 58 GLN N N 58 131.839 131.839 128.632 3.207 18749
6204 1 18 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.112 -0.189 18749
6205 1 18 . 1 1 58 58 GLN C C 58 178.435 178.435 177.755 0.680 18749
6206 1 18 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.372 0.916 18749
6207 1 18 . 1 1 58 58 GLN CB C 58 28.195 28.195 28.408 -0.213 18749
6208 1 18 . 1 1 58 58 GLN H H 58 9.451 9.451 9.015 0.436 18749
6209 1 18 . 1 1 59 59 TYR N N 59 124.026 124.026 120.701 3.325 18749
6210 1 18 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.496 -0.067 18749
6211 1 18 . 1 1 59 59 TYR C C 59 178.722 178.722 177.111 1.611 18749
6212 1 18 . 1 1 59 59 TYR CA C 59 60.295 60.295 61.455 -1.160 18749
6213 1 18 . 1 1 59 59 TYR CB C 59 38.591 38.591 38.666 -0.075 18749
6214 1 18 . 1 1 59 59 TYR H H 59 8.699 8.699 8.248 0.451 18749
6215 1 18 . 1 1 60 60 CYS N N 60 122.268 122.268 117.765 4.503 18749
6216 1 18 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.631 -0.314 18749
6217 1 18 . 1 1 60 60 CYS C C 60 176.011 176.011 177.209 -1.198 18749
6218 1 18 . 1 1 60 60 CYS CA C 60 64.499 64.499 61.667 2.832 18749
6219 1 18 . 1 1 60 60 CYS CB C 60 30.203 30.203 25.914 4.289 18749
6220 1 18 . 1 1 60 60 CYS H H 60 8.432 8.432 8.035 0.397 18749
6221 1 18 . 1 1 61 61 ARG N N 61 116.449 116.449 118.414 -1.965 18749
6222 1 18 . 1 1 61 61 ARG HA H 61 3.895 3.895 4.112 -0.217 18749
6223 1 18 . 1 1 61 61 ARG C C 61 176.965 176.965 177.388 -0.423 18749
6224 1 18 . 1 1 61 61 ARG CA C 61 58.336 58.336 58.774 -0.438 18749
6225 1 18 . 1 1 61 61 ARG CB C 61 29.771 29.771 30.197 -0.426 18749
6226 1 18 . 1 1 61 61 ARG H H 61 7.265 7.265 7.562 -0.297 18749
6227 1 18 . 1 1 62 62 TYR N N 62 117.341 117.341 115.867 1.474 18749
6228 1 18 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.452 0.017 18749
6229 1 18 . 1 1 62 62 TYR C C 62 175.562 175.562 176.811 -1.249 18749
6230 1 18 . 1 1 62 62 TYR CA C 62 58.566 58.566 60.159 -1.593 18749
6231 1 18 . 1 1 62 62 TYR CB C 62 39.182 39.182 39.669 -0.487 18749
6232 1 18 . 1 1 62 62 TYR H H 62 7.259 7.259 7.654 -0.395 18749
6233 1 18 . 1 1 63 63 GLN N N 63 121.663 121.663 117.627 4.036 18749
6234 1 18 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.587 -0.377 18749
6235 1 18 . 1 1 63 63 GLN C C 63 173.076 173.076 174.913 -1.837 18749
6236 1 18 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.743 -0.251 18749
6237 1 18 . 1 1 63 63 GLN CB C 63 29.401 29.401 31.784 -2.383 18749
6238 1 18 . 1 1 63 63 GLN H H 63 7.856 7.856 8.143 -0.287 18749
6239 1 18 . 1 1 64 64 LYS N N 64 127.668 127.668 125.527 2.141 18749
6240 1 18 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.205 0.096 18749
6241 1 18 . 1 1 64 64 LYS C C 64 177.301 177.301 175.949 1.352 18749
6242 1 18 . 1 1 64 64 LYS CA C 64 58.182 58.182 57.228 0.954 18749
6243 1 18 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.451 0.063 18749
6244 1 18 . 1 1 64 64 LYS H H 64 8.204 8.204 8.715 -0.511 18749
6245 1 18 . 1 1 65 65 ASP N N 65 131.040 131.040 123.914 7.126 18749
6246 1 18 . 1 1 65 65 ASP C C 65 174.529 174.529 177.120 -2.591 18749
6247 1 18 . 1 1 65 65 ASP CA C 65 53.232 53.232 53.873 -0.641 18749
6248 1 18 . 1 1 65 65 ASP CB C 65 41.222 41.222 41.771 -0.549 18749
6249 1 18 . 1 1 65 65 ASP H H 65 8.677 8.677 8.532 0.145 18749
6250 1 18 . 1 1 66 66 LEU N N 66 125.688 125.688 121.335 4.353 18749
6251 1 18 . 1 1 66 66 LEU HA H 66 4.088 4.088 4.025 0.063 18749
6252 1 18 . 1 1 66 66 LEU C C 66 178.676 178.676 177.837 0.839 18749
6253 1 18 . 1 1 66 66 LEU CA C 66 57.836 57.836 56.483 1.353 18749
6254 1 18 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.580 1.616 18749
6255 1 18 . 1 1 66 66 LEU H H 66 8.733 8.733 8.160 0.573 18749
6256 1 18 . 1 1 67 67 ALA N N 67 119.916 119.916 121.873 -1.957 18749
6257 1 18 . 1 1 67 67 ALA C C 67 180.513 180.513 178.722 1.791 18749
6258 1 18 . 1 1 67 67 ALA CA C 67 55.151 55.151 54.325 0.826 18749
6259 1 18 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.426 -0.308 18749
6260 1 18 . 1 1 67 67 ALA H H 67 8.076 8.076 7.861 0.215 18749
6261 1 18 . 1 1 68 68 ILE N N 68 119.735 119.735 114.922 4.813 18749
6262 1 18 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.696 -0.037 18749
6263 1 18 . 1 1 68 68 ILE C C 68 177.647 177.647 176.259 1.388 18749
6264 1 18 . 1 1 68 68 ILE CA C 68 63.267 63.267 63.399 -0.132 18749
6265 1 18 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.431 -0.093 18749
6266 1 18 . 1 1 68 68 ILE H H 68 7.342 7.342 7.134 0.208 18749
6267 1 18 . 1 1 69 69 HIS N N 69 119.542 119.542 120.311 -0.769 18749
6268 1 18 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.338 -0.035 18749
6269 1 18 . 1 1 69 69 HIS CA C 69 59.224 59.224 55.724 3.500 18749
6270 1 18 . 1 1 69 69 HIS CB C 69 28.569 28.569 29.858 -1.289 18749
6271 1 18 . 1 1 69 69 HIS H H 69 6.608 6.608 8.020 -1.412 18749
6272 1 18 . 1 1 84 84 GLY C C 84 174.391 174.391 174.218 0.173 18749
6273 1 18 . 1 1 84 84 GLY CA C 84 45.472 45.472 44.415 1.057 18749
6274 1 18 . 1 1 85 85 THR N N 85 112.734 112.734 113.814 -1.080 18749
6275 1 18 . 1 1 85 85 THR C C 85 175.056 175.056 176.064 -1.008 18749
6276 1 18 . 1 1 85 85 THR CA C 85 61.980 61.980 62.304 -0.324 18749
6277 1 18 . 1 1 85 85 THR CB C 85 69.868 69.868 69.786 0.082 18749
6278 1 18 . 1 1 85 85 THR H H 85 8.012 8.012 7.914 0.098 18749
6279 1 18 . 1 1 86 86 GLY N N 86 111.173 111.173 110.445 0.728 18749
6280 1 18 . 1 1 86 86 GLY C C 86 172.909 172.909 173.812 -0.903 18749
6281 1 18 . 1 1 86 86 GLY CA C 86 45.268 45.268 45.105 0.164 18749
6282 1 18 . 1 1 86 86 GLY H H 86 8.276 8.276 9.068 -0.792 18749
6283 1 19 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.458 -0.067 18749
6284 1 19 . 1 1 4 4 PRO C C 4 176.097 176.097 175.758 0.339 18749
6285 1 19 . 1 1 4 4 PRO CA C 4 62.965 62.965 62.973 -0.008 18749
6286 1 19 . 1 1 4 4 PRO CB C 4 31.902 31.902 32.580 -0.677 18749
6287 1 19 . 1 1 5 5 VAL N N 5 121.993 121.993 122.496 -0.503 18749
6288 1 19 . 1 1 5 5 VAL HA H 5 4.341 4.341 4.453 -0.112 18749
6289 1 19 . 1 1 5 5 VAL CA C 5 59.763 59.763 60.441 -0.677 18749
6290 1 19 . 1 1 5 5 VAL CB C 5 32.567 32.567 32.392 0.175 18749
6291 1 19 . 1 1 5 5 VAL H H 5 8.149 8.149 8.233 -0.084 18749
6292 1 19 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.286 -0.030 18749
6293 1 19 . 1 1 6 6 PRO C C 6 176.167 176.167 177.029 -0.862 18749
6294 1 19 . 1 1 6 6 PRO CA C 6 63.138 63.138 64.224 -1.086 18749
6295 1 19 . 1 1 6 6 PRO CB C 6 31.877 31.877 31.999 -0.122 18749
6296 1 19 . 1 1 7 7 TYR N N 7 121.107 121.107 119.256 1.851 18749
6297 1 19 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.579 -0.136 18749
6298 1 19 . 1 1 7 7 TYR CA C 7 55.602 55.602 56.870 -1.268 18749
6299 1 19 . 1 1 7 7 TYR CB C 7 38.212 38.212 38.202 0.010 18749
6300 1 19 . 1 1 7 7 TYR H H 7 7.945 7.945 8.397 -0.452 18749
6301 1 19 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.457 -0.169 18749
6302 1 19 . 1 1 8 8 PRO C C 8 176.122 176.122 175.858 0.264 18749
6303 1 19 . 1 1 8 8 PRO CA C 8 62.983 62.983 63.313 -0.330 18749
6304 1 19 . 1 1 8 8 PRO CB C 8 31.913 31.913 32.385 -0.472 18749
6305 1 19 . 1 1 9 9 ASP N N 9 122.332 122.332 119.044 3.288 18749
6306 1 19 . 1 1 9 9 ASP HA H 9 4.466 4.466 4.525 -0.059 18749
6307 1 19 . 1 1 9 9 ASP CA C 9 52.317 52.317 54.269 -1.952 18749
6308 1 19 . 1 1 9 9 ASP CB C 9 41.371 41.371 39.395 1.976 18749
6309 1 19 . 1 1 9 9 ASP H H 9 8.204 8.204 8.465 -0.261 18749
6310 1 19 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.254 0.055 18749
6311 1 19 . 1 1 10 10 PRO C C 10 177.003 177.003 177.730 -0.727 18749
6312 1 19 . 1 1 10 10 PRO CA C 10 63.635 63.635 64.223 -0.588 18749
6313 1 19 . 1 1 10 10 PRO CB C 10 32.207 32.207 32.030 0.177 18749
6314 1 19 . 1 1 11 11 LEU N N 11 120.566 120.566 116.575 3.991 18749
6315 1 19 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.180 0.041 18749
6316 1 19 . 1 1 11 11 LEU C C 11 177.277 177.277 176.624 0.653 18749
6317 1 19 . 1 1 11 11 LEU CA C 11 54.938 54.938 55.273 -0.335 18749
6318 1 19 . 1 1 11 11 LEU CB C 11 41.908 41.908 41.478 0.430 18749
6319 1 19 . 1 1 11 11 LEU H H 11 8.295 8.295 7.598 0.697 18749
6320 1 19 . 1 1 12 12 GLU N N 12 122.415 122.415 114.360 8.055 18749
6321 1 19 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.039 0.345 18749
6322 1 19 . 1 1 12 12 GLU CA C 12 54.384 54.384 55.620 -1.236 18749
6323 1 19 . 1 1 12 12 GLU CB C 12 29.988 29.988 27.725 2.263 18749
6324 1 19 . 1 1 12 12 GLU H H 12 7.857 7.857 7.963 -0.106 18749
6325 1 19 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.389 -0.140 18749
6326 1 19 . 1 1 13 13 PRO C C 13 177.132 177.132 178.041 -0.909 18749
6327 1 19 . 1 1 13 13 PRO CA C 13 63.458 63.458 62.864 0.594 18749
6328 1 19 . 1 1 13 13 PRO CB C 13 31.862 31.862 32.264 -0.402 18749
6329 1 19 . 1 1 14 14 ARG N N 14 121.214 121.214 123.503 -2.289 18749
6330 1 19 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.088 0.071 18749
6331 1 19 . 1 1 14 14 ARG CA C 14 56.162 56.162 57.645 -1.482 18749
6332 1 19 . 1 1 14 14 ARG CB C 14 30.632 30.632 30.425 0.207 18749
6333 1 19 . 1 1 14 14 ARG H H 14 8.337 8.337 8.658 -0.321 18749
6334 1 19 . 1 1 15 15 GLY N N 15 109.686 109.686 106.008 3.678 18749
6335 1 19 . 1 1 15 15 GLY C C 15 174.130 174.130 174.564 -0.434 18749
6336 1 19 . 1 1 15 15 GLY CA C 15 45.312 45.312 45.432 -0.120 18749
6337 1 19 . 1 1 15 15 GLY H H 15 8.280 8.280 8.210 0.070 18749
6338 1 19 . 1 1 16 16 GLY N N 16 108.011 108.011 107.783 0.228 18749
6339 1 19 . 1 1 16 16 GLY C C 16 172.056 172.056 173.598 -1.542 18749
6340 1 19 . 1 1 16 16 GLY CA C 16 44.895 44.895 44.902 -0.007 18749
6341 1 19 . 1 1 16 16 GLY H H 16 7.764 7.764 8.520 -0.756 18749
6342 1 19 . 1 1 17 17 LYS N N 17 117.049 117.049 118.254 -1.205 18749
6343 1 19 . 1 1 17 17 LYS HA H 17 4.135 4.135 3.893 0.242 18749
6344 1 19 . 1 1 17 17 LYS C C 17 175.259 175.259 176.020 -0.761 18749
6345 1 19 . 1 1 17 17 LYS CA C 17 53.914 53.914 56.952 -3.038 18749
6346 1 19 . 1 1 17 17 LYS CB C 17 35.219 35.219 30.118 5.101 18749
6347 1 19 . 1 1 17 17 LYS H H 17 7.347 7.347 8.072 -0.725 18749
6348 1 19 . 1 1 18 18 HIS N N 18 120.426 120.426 118.302 2.124 18749
6349 1 19 . 1 1 18 18 HIS C C 18 175.419 175.419 175.564 -0.145 18749
6350 1 19 . 1 1 18 18 HIS CA C 18 57.086 57.086 58.320 -1.234 18749
6351 1 19 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.306 0.186 18749
6352 1 19 . 1 1 19 19 ILE N N 19 126.193 126.193 116.829 9.364 18749
6353 1 19 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.377 0.077 18749
6354 1 19 . 1 1 19 19 ILE C C 19 175.138 175.138 175.382 -0.244 18749
6355 1 19 . 1 1 19 19 ILE CA C 19 59.189 59.189 60.055 -0.866 18749
6356 1 19 . 1 1 19 19 ILE CB C 19 41.816 41.816 38.887 2.929 18749
6357 1 19 . 1 1 19 19 ILE H H 19 8.180 8.180 7.699 0.481 18749
6358 1 19 . 1 1 20 20 CYS N N 20 127.805 127.805 127.358 0.447 18749
6359 1 19 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.502 0.413 18749
6360 1 19 . 1 1 20 20 CYS C C 20 174.996 174.996 176.027 -1.031 18749
6361 1 19 . 1 1 20 20 CYS CA C 20 57.370 57.370 58.573 -1.203 18749
6362 1 19 . 1 1 20 20 CYS CB C 20 32.008 32.008 29.466 2.542 18749
6363 1 19 . 1 1 20 20 CYS H H 20 8.382 8.382 8.755 -0.373 18749
6364 1 19 . 1 1 21 21 ALA N N 21 135.406 135.406 129.196 6.210 18749
6365 1 19 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.136 0.026 18749
6366 1 19 . 1 1 21 21 ALA C C 21 177.885 177.885 177.410 0.475 18749
6367 1 19 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.253 0.239 18749
6368 1 19 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.811 0.814 18749
6369 1 19 . 1 1 21 21 ALA H H 21 8.742 8.742 8.755 -0.013 18749
6370 1 19 . 1 1 22 22 ILE N N 22 119.063 119.063 116.374 2.689 18749
6371 1 19 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.122 -0.261 18749
6372 1 19 . 1 1 22 22 ILE C C 22 176.914 176.914 176.961 -0.047 18749
6373 1 19 . 1 1 22 22 ILE CA C 22 63.218 63.218 62.291 0.927 18749
6374 1 19 . 1 1 22 22 ILE CB C 22 37.371 37.371 39.371 -2.000 18749
6375 1 19 . 1 1 22 22 ILE H H 22 8.150 8.150 7.431 0.719 18749
6376 1 19 . 1 1 23 23 CYS N N 23 114.362 114.362 117.182 -2.820 18749
6377 1 19 . 1 1 23 23 CYS C C 23 176.216 176.216 175.989 0.227 18749
6378 1 19 . 1 1 23 23 CYS CA C 23 57.878 57.878 58.966 -1.088 18749
6379 1 19 . 1 1 23 23 CYS CB C 23 30.456 30.456 26.379 4.077 18749
6380 1 19 . 1 1 23 23 CYS H H 23 7.238 7.238 8.272 -1.034 18749
6381 1 19 . 1 1 24 24 GLY N N 24 111.898 111.898 107.420 4.478 18749
6382 1 19 . 1 1 24 24 GLY C C 24 173.367 173.367 174.074 -0.707 18749
6383 1 19 . 1 1 24 24 GLY CA C 24 46.222 46.222 46.569 -0.347 18749
6384 1 19 . 1 1 24 24 GLY H H 24 7.566 7.566 8.573 -1.007 18749
6385 1 19 . 1 1 25 25 ASN N N 25 117.684 117.684 115.478 2.206 18749
6386 1 19 . 1 1 25 25 ASN HA H 25 4.763 4.763 5.066 -0.303 18749
6387 1 19 . 1 1 25 25 ASN C C 25 174.631 174.631 174.393 0.238 18749
6388 1 19 . 1 1 25 25 ASN CA C 25 51.901 51.901 53.056 -1.155 18749
6389 1 19 . 1 1 25 25 ASN CB C 25 40.666 40.666 39.930 0.736 18749
6390 1 19 . 1 1 25 25 ASN H H 25 7.781 7.781 8.471 -0.690 18749
6391 1 19 . 1 1 26 26 ASN N N 26 118.294 118.294 117.517 0.777 18749
6392 1 19 . 1 1 26 26 ASN HA H 26 4.570 4.570 4.742 -0.172 18749
6393 1 19 . 1 1 26 26 ASN C C 26 175.502 175.502 174.804 0.698 18749
6394 1 19 . 1 1 26 26 ASN CA C 26 53.980 53.980 53.830 0.150 18749
6395 1 19 . 1 1 26 26 ASN CB C 26 38.066 38.066 38.608 -0.542 18749
6396 1 19 . 1 1 26 26 ASN H H 26 8.562 8.562 8.436 0.126 18749
6397 1 19 . 1 1 27 27 ALA N N 27 126.538 126.538 123.235 3.303 18749
6398 1 19 . 1 1 27 27 ALA C C 27 177.920 177.920 175.577 2.343 18749
6399 1 19 . 1 1 27 27 ALA CA C 27 53.567 53.567 51.902 1.665 18749
6400 1 19 . 1 1 27 27 ALA CB C 27 18.852 18.852 17.059 1.793 18749
6401 1 19 . 1 1 27 27 ALA H H 27 8.217 8.217 8.305 -0.088 18749
6402 1 19 . 1 1 28 28 GLU N N 28 112.911 112.911 117.789 -4.878 18749
6403 1 19 . 1 1 28 28 GLU HA H 28 4.099 4.099 4.310 -0.211 18749
6404 1 19 . 1 1 28 28 GLU C C 28 177.423 177.423 176.154 1.269 18749
6405 1 19 . 1 1 28 28 GLU CA C 28 57.783 57.783 56.605 1.178 18749
6406 1 19 . 1 1 28 28 GLU CB C 28 30.926 30.926 30.922 0.004 18749
6407 1 19 . 1 1 28 28 GLU H H 28 8.608 8.608 8.068 0.540 18749
6408 1 19 . 1 1 29 29 ASP N N 29 116.209 116.209 120.186 -3.977 18749
6409 1 19 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.495 -0.061 18749
6410 1 19 . 1 1 29 29 ASP C C 29 174.486 174.486 175.209 -0.723 18749
6411 1 19 . 1 1 29 29 ASP CA C 29 55.349 55.349 54.003 1.346 18749
6412 1 19 . 1 1 29 29 ASP CB C 29 42.596 42.596 41.979 0.617 18749
6413 1 19 . 1 1 29 29 ASP H H 29 7.272 7.272 7.628 -0.356 18749
6414 1 19 . 1 1 30 30 TYR N N 30 116.344 116.344 120.755 -4.411 18749
6415 1 19 . 1 1 30 30 TYR CA C 30 57.018 57.018 57.864 -0.846 18749
6416 1 19 . 1 1 30 30 TYR CB C 30 43.459 43.459 39.390 4.069 18749
6417 1 19 . 1 1 30 30 TYR H H 30 7.281 7.281 8.051 -0.770 18749
6418 1 19 . 1 1 31 31 LYS C C 31 177.018 177.018 176.181 0.837 18749
6419 1 19 . 1 1 32 32 HIS N N 32 116.170 116.170 117.863 -1.693 18749
6420 1 19 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.557 -0.755 18749
6421 1 19 . 1 1 32 32 HIS C C 32 173.979 173.979 177.071 -3.092 18749
6422 1 19 . 1 1 32 32 HIS CA C 32 55.136 55.136 58.186 -3.050 18749
6423 1 19 . 1 1 32 32 HIS CB C 32 33.128 33.128 30.093 3.035 18749
6424 1 19 . 1 1 32 32 HIS H H 32 7.691 7.691 8.242 -0.551 18749
6425 1 19 . 1 1 33 33 THR N N 33 108.605 108.605 110.895 -2.290 18749
6426 1 19 . 1 1 33 33 THR HA H 33 4.424 4.424 4.180 0.244 18749
6427 1 19 . 1 1 33 33 THR C C 33 175.107 175.107 174.925 0.182 18749
6428 1 19 . 1 1 33 33 THR CA C 33 60.218 60.218 64.105 -3.887 18749
6429 1 19 . 1 1 33 33 THR CB C 33 69.476 69.476 68.918 0.558 18749
6430 1 19 . 1 1 33 33 THR H H 33 8.051 8.051 8.295 -0.244 18749
6431 1 19 . 1 1 34 34 ASP N N 34 121.404 121.404 121.114 0.290 18749
6432 1 19 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.453 0.137 18749
6433 1 19 . 1 1 34 34 ASP C C 34 175.334 175.334 177.101 -1.767 18749
6434 1 19 . 1 1 34 34 ASP CA C 34 53.564 53.564 56.759 -3.195 18749
6435 1 19 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.351 0.069 18749
6436 1 19 . 1 1 34 34 ASP H H 34 7.973 7.973 8.253 -0.280 18749
6437 1 19 . 1 1 35 35 MET N N 35 119.898 119.898 116.862 3.036 18749
6438 1 19 . 1 1 35 35 MET HA H 35 4.398 4.398 4.299 0.099 18749
6439 1 19 . 1 1 35 35 MET C C 35 174.846 174.846 176.568 -1.722 18749
6440 1 19 . 1 1 35 35 MET CA C 35 55.631 55.631 58.000 -2.369 18749
6441 1 19 . 1 1 35 35 MET CB C 35 33.382 33.382 33.340 0.042 18749
6442 1 19 . 1 1 35 35 MET H H 35 7.585 7.585 7.623 -0.038 18749
6443 1 19 . 1 1 36 36 ASP N N 36 123.631 123.631 119.940 3.691 18749
6444 1 19 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.636 -0.150 18749
6445 1 19 . 1 1 36 36 ASP C C 36 176.456 176.456 175.540 0.916 18749
6446 1 19 . 1 1 36 36 ASP CA C 36 54.279 54.279 54.234 0.045 18749
6447 1 19 . 1 1 36 36 ASP CB C 36 41.156 41.156 40.509 0.647 18749
6448 1 19 . 1 1 36 36 ASP H H 36 8.360 8.360 7.868 0.492 18749
6449 1 19 . 1 1 37 37 LEU N N 37 123.812 123.812 123.825 -0.013 18749
6450 1 19 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.411 -0.108 18749
6451 1 19 . 1 1 37 37 LEU C C 37 177.554 177.554 177.455 0.099 18749
6452 1 19 . 1 1 37 37 LEU CA C 37 55.317 55.317 55.403 -0.086 18749
6453 1 19 . 1 1 37 37 LEU CB C 37 41.945 41.945 42.544 -0.599 18749
6454 1 19 . 1 1 37 37 LEU H H 37 8.224 8.224 8.283 -0.059 18749
6455 1 19 . 1 1 38 38 THR N N 38 113.723 113.723 114.961 -1.238 18749
6456 1 19 . 1 1 38 38 THR HA H 38 4.153 4.153 4.368 -0.215 18749
6457 1 19 . 1 1 38 38 THR C C 38 174.786 174.786 173.494 1.292 18749
6458 1 19 . 1 1 38 38 THR CA C 38 62.673 62.673 60.645 2.028 18749
6459 1 19 . 1 1 38 38 THR CB C 38 69.792 69.792 70.322 -0.530 18749
6460 1 19 . 1 1 38 38 THR H H 38 8.321 8.321 7.932 0.389 18749
6461 1 19 . 1 1 39 39 TYR N N 39 121.098 121.098 123.099 -2.001 18749
6462 1 19 . 1 1 39 39 TYR C C 39 175.992 175.992 176.532 -0.540 18749
6463 1 19 . 1 1 39 39 TYR CA C 39 58.083 58.083 57.584 0.499 18749
6464 1 19 . 1 1 39 39 TYR CB C 39 38.309 38.309 39.125 -0.816 18749
6465 1 19 . 1 1 39 39 TYR H H 39 7.920 7.920 8.634 -0.714 18749
6466 1 19 . 1 1 40 40 THR N N 40 113.380 113.380 114.228 -0.848 18749
6467 1 19 . 1 1 40 40 THR C C 40 174.356 174.356 174.621 -0.265 18749
6468 1 19 . 1 1 40 40 THR CA C 40 61.801 61.801 62.055 -0.254 18749
6469 1 19 . 1 1 40 40 THR CB C 40 69.965 69.965 69.668 0.297 18749
6470 1 19 . 1 1 40 40 THR H H 40 7.885 7.885 8.188 -0.303 18749
6471 1 19 . 1 1 41 41 ASP N N 41 121.537 121.537 127.283 -5.746 18749
6472 1 19 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.657 -0.189 18749
6473 1 19 . 1 1 41 41 ASP C C 41 176.338 176.338 176.403 -0.065 18749
6474 1 19 . 1 1 41 41 ASP CA C 41 54.674 54.674 54.248 0.426 18749
6475 1 19 . 1 1 41 41 ASP CB C 41 40.996 40.996 39.887 1.109 18749
6476 1 19 . 1 1 41 41 ASP H H 41 8.184 8.184 8.641 -0.457 18749
6477 1 19 . 1 1 42 42 ARG N N 42 119.745 119.745 121.592 -1.847 18749
6478 1 19 . 1 1 42 42 ARG HA H 42 4.171 4.171 4.061 0.110 18749
6479 1 19 . 1 1 42 42 ARG C C 42 175.906 175.906 175.815 0.091 18749
6480 1 19 . 1 1 42 42 ARG CA C 42 56.644 56.644 57.493 -0.849 18749
6481 1 19 . 1 1 42 42 ARG CB C 42 30.788 30.788 30.582 0.206 18749
6482 1 19 . 1 1 42 42 ARG H H 42 7.997 7.997 7.793 0.204 18749
6483 1 19 . 1 1 43 43 ASP N N 43 119.314 119.314 118.084 1.230 18749
6484 1 19 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.546 -0.043 18749
6485 1 19 . 1 1 43 43 ASP C C 43 175.599 175.599 175.644 -0.045 18749
6486 1 19 . 1 1 43 43 ASP CA C 43 54.368 54.368 54.088 0.280 18749
6487 1 19 . 1 1 43 43 ASP CB C 43 41.071 41.071 41.401 -0.330 18749
6488 1 19 . 1 1 43 43 ASP H H 43 8.181 8.181 8.138 0.043 18749
6489 1 19 . 1 1 44 44 TYR N N 44 120.178 120.178 119.616 0.562 18749
6490 1 19 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.429 -0.105 18749
6491 1 19 . 1 1 44 44 TYR C C 44 175.321 175.321 176.321 -1.000 18749
6492 1 19 . 1 1 44 44 TYR CA C 44 58.553 58.553 59.081 -0.527 18749
6493 1 19 . 1 1 44 44 TYR CB C 44 38.614 38.614 39.034 -0.420 18749
6494 1 19 . 1 1 44 44 TYR H H 44 7.806 7.806 8.421 -0.615 18749
6495 1 19 . 1 1 45 45 LYS N N 45 123.353 123.353 123.401 -0.048 18749
6496 1 19 . 1 1 45 45 LYS CA C 45 55.745 55.745 55.062 0.683 18749
6497 1 19 . 1 1 45 45 LYS CB C 45 33.789 33.789 34.784 -0.995 18749
6498 1 19 . 1 1 45 45 LYS H H 45 7.731 7.731 8.319 -0.588 18749
6499 1 19 . 1 1 47 47 CYS N N 47 125.060 125.060 120.788 4.272 18749
6500 1 19 . 1 1 47 47 CYS H H 47 8.811 8.811 8.637 0.174 18749
6501 1 19 . 1 1 48 48 GLU C C 48 178.473 178.473 175.146 3.327 18749
6502 1 19 . 1 1 49 49 SER N N 49 120.359 120.359 115.280 5.079 18749
6503 1 19 . 1 1 49 49 SER C C 49 172.276 172.276 172.361 -0.085 18749
6504 1 19 . 1 1 49 49 SER CA C 49 61.125 61.125 57.377 3.748 18749
6505 1 19 . 1 1 49 49 SER CB C 49 63.224 63.224 64.843 -1.619 18749
6506 1 19 . 1 1 49 49 SER H H 49 8.737 8.737 8.017 0.720 18749
6507 1 19 . 1 1 50 50 TYR N N 50 110.556 110.556 120.056 -9.500 18749
6508 1 19 . 1 1 50 50 TYR C C 50 175.624 175.624 175.479 0.145 18749
6509 1 19 . 1 1 50 50 TYR CA C 50 59.205 59.205 57.939 1.266 18749
6510 1 19 . 1 1 50 50 TYR CB C 50 38.197 38.197 41.245 -3.048 18749
6511 1 19 . 1 1 50 50 TYR H H 50 6.326 6.326 8.361 -2.035 18749
6512 1 19 . 1 1 51 51 HIS N N 51 119.871 119.871 120.524 -0.653 18749
6513 1 19 . 1 1 51 51 HIS HA H 51 3.757 3.757 4.542 -0.785 18749
6514 1 19 . 1 1 51 51 HIS C C 51 176.588 176.588 175.999 0.589 18749
6515 1 19 . 1 1 51 51 HIS CA C 51 59.323 59.323 58.130 1.193 18749
6516 1 19 . 1 1 51 51 HIS CB C 51 27.514 27.514 30.316 -2.802 18749
6517 1 19 . 1 1 51 51 HIS H H 51 5.890 5.890 8.621 -2.731 18749
6518 1 19 . 1 1 52 52 LYS N N 52 122.505 122.505 119.911 2.594 18749
6519 1 19 . 1 1 52 52 LYS C C 52 178.958 178.958 177.601 1.357 18749
6520 1 19 . 1 1 52 52 LYS CA C 52 58.922 58.922 57.052 1.870 18749
6521 1 19 . 1 1 52 52 LYS CB C 52 31.291 31.291 32.389 -1.098 18749
6522 1 19 . 1 1 52 52 LYS H H 52 7.660 7.660 8.562 -0.902 18749
6523 1 19 . 1 1 53 53 CYS N N 53 117.268 117.268 118.521 -1.253 18749
6524 1 19 . 1 1 53 53 CYS C C 53 179.241 179.241 174.952 4.289 18749
6525 1 19 . 1 1 53 53 CYS CA C 53 64.802 64.802 59.907 4.895 18749
6526 1 19 . 1 1 53 53 CYS CB C 53 30.906 30.906 28.555 2.350 18749
6527 1 19 . 1 1 53 53 CYS H H 53 8.256 8.256 8.006 0.250 18749
6528 1 19 . 1 1 54 54 SER N N 54 111.716 111.716 119.152 -7.436 18749
6529 1 19 . 1 1 54 54 SER HA H 54 3.839 3.839 4.494 -0.655 18749
6530 1 19 . 1 1 54 54 SER C C 54 175.922 175.922 173.912 2.010 18749
6531 1 19 . 1 1 54 54 SER CA C 54 60.263 60.263 59.527 0.736 18749
6532 1 19 . 1 1 54 54 SER CB C 54 64.120 64.120 63.239 0.881 18749
6533 1 19 . 1 1 54 54 SER H H 54 7.671 7.671 8.702 -1.031 18749
6534 1 19 . 1 1 55 55 ASP N N 55 119.056 119.056 119.162 -0.106 18749
6535 1 19 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.387 -0.092 18749
6536 1 19 . 1 1 55 55 ASP C C 55 178.101 178.101 175.538 2.563 18749
6537 1 19 . 1 1 55 55 ASP CA C 55 57.387 57.387 55.286 2.100 18749
6538 1 19 . 1 1 55 55 ASP CB C 55 40.315 40.315 39.534 0.781 18749
6539 1 19 . 1 1 55 55 ASP H H 55 7.438 7.438 8.046 -0.608 18749
6540 1 19 . 1 1 56 56 LEU N N 56 118.324 118.324 112.228 6.096 18749
6541 1 19 . 1 1 56 56 LEU HA H 56 4.168 4.168 4.585 -0.417 18749
6542 1 19 . 1 1 56 56 LEU C C 56 176.250 176.250 176.023 0.227 18749
6543 1 19 . 1 1 56 56 LEU CA C 56 55.333 55.333 56.007 -0.674 18749
6544 1 19 . 1 1 56 56 LEU CB C 56 43.173 43.173 43.015 0.158 18749
6545 1 19 . 1 1 56 56 LEU H H 56 7.565 7.565 7.867 -0.302 18749
6546 1 19 . 1 1 57 57 CYS N N 57 124.095 124.095 123.034 1.061 18749
6547 1 19 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.767 -0.512 18749
6548 1 19 . 1 1 57 57 CYS C C 57 177.371 177.371 174.996 2.375 18749
6549 1 19 . 1 1 57 57 CYS CA C 57 59.255 59.255 58.639 0.617 18749
6550 1 19 . 1 1 57 57 CYS CB C 57 30.128 30.128 27.375 2.753 18749
6551 1 19 . 1 1 57 57 CYS H H 57 7.265 7.265 8.278 -1.013 18749
6552 1 19 . 1 1 58 58 GLN N N 58 131.839 131.839 128.905 2.934 18749
6553 1 19 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.103 -0.180 18749
6554 1 19 . 1 1 58 58 GLN C C 58 178.435 178.435 177.727 0.708 18749
6555 1 19 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.229 1.059 18749
6556 1 19 . 1 1 58 58 GLN CB C 58 28.195 28.195 28.456 -0.261 18749
6557 1 19 . 1 1 58 58 GLN H H 58 9.451 9.451 9.049 0.402 18749
6558 1 19 . 1 1 59 59 TYR N N 59 124.026 124.026 120.264 3.762 18749
6559 1 19 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.619 -0.190 18749
6560 1 19 . 1 1 59 59 TYR C C 59 178.722 178.722 176.933 1.789 18749
6561 1 19 . 1 1 59 59 TYR CA C 59 60.295 60.295 61.203 -0.908 18749
6562 1 19 . 1 1 59 59 TYR CB C 59 38.591 38.591 38.880 -0.290 18749
6563 1 19 . 1 1 59 59 TYR H H 59 8.699 8.699 8.213 0.486 18749
6564 1 19 . 1 1 60 60 CYS N N 60 122.268 122.268 117.136 5.132 18749
6565 1 19 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.653 -0.336 18749
6566 1 19 . 1 1 60 60 CYS C C 60 176.011 176.011 176.852 -0.841 18749
6567 1 19 . 1 1 60 60 CYS CA C 60 64.499 64.499 61.249 3.250 18749
6568 1 19 . 1 1 60 60 CYS CB C 60 30.203 30.203 25.942 4.261 18749
6569 1 19 . 1 1 60 60 CYS H H 60 8.432 8.432 7.889 0.543 18749
6570 1 19 . 1 1 61 61 ARG N N 61 116.449 116.449 119.175 -2.726 18749
6571 1 19 . 1 1 61 61 ARG HA H 61 3.895 3.895 3.971 -0.076 18749
6572 1 19 . 1 1 61 61 ARG C C 61 176.965 176.965 177.399 -0.434 18749
6573 1 19 . 1 1 61 61 ARG CA C 61 58.336 58.336 58.657 -0.321 18749
6574 1 19 . 1 1 61 61 ARG CB C 61 29.771 29.771 29.860 -0.089 18749
6575 1 19 . 1 1 61 61 ARG H H 61 7.265 7.265 7.751 -0.486 18749
6576 1 19 . 1 1 62 62 TYR N N 62 117.341 117.341 115.969 1.372 18749
6577 1 19 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.375 0.094 18749
6578 1 19 . 1 1 62 62 TYR C C 62 175.562 175.562 176.793 -1.231 18749
6579 1 19 . 1 1 62 62 TYR CA C 62 58.566 58.566 59.826 -1.260 18749
6580 1 19 . 1 1 62 62 TYR CB C 62 39.182 39.182 39.442 -0.260 18749
6581 1 19 . 1 1 62 62 TYR H H 62 7.259 7.259 7.431 -0.172 18749
6582 1 19 . 1 1 63 63 GLN N N 63 121.663 121.663 117.854 3.809 18749
6583 1 19 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.561 -0.351 18749
6584 1 19 . 1 1 63 63 GLN C C 63 173.076 173.076 174.874 -1.798 18749
6585 1 19 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.719 -0.227 18749
6586 1 19 . 1 1 63 63 GLN CB C 63 29.401 29.401 31.276 -1.875 18749
6587 1 19 . 1 1 63 63 GLN H H 63 7.856 7.856 7.905 -0.049 18749
6588 1 19 . 1 1 64 64 LYS N N 64 127.668 127.668 125.423 2.245 18749
6589 1 19 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.147 0.154 18749
6590 1 19 . 1 1 64 64 LYS C C 64 177.301 177.301 175.915 1.386 18749
6591 1 19 . 1 1 64 64 LYS CA C 64 58.182 58.182 57.319 0.863 18749
6592 1 19 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.482 0.032 18749
6593 1 19 . 1 1 64 64 LYS H H 64 8.204 8.204 8.636 -0.432 18749
6594 1 19 . 1 1 65 65 ASP N N 65 131.040 131.040 124.783 6.257 18749
6595 1 19 . 1 1 65 65 ASP C C 65 174.529 174.529 177.132 -2.603 18749
6596 1 19 . 1 1 65 65 ASP CA C 65 53.232 53.232 53.760 -0.528 18749
6597 1 19 . 1 1 65 65 ASP CB C 65 41.222 41.222 41.414 -0.192 18749
6598 1 19 . 1 1 65 65 ASP H H 65 8.677 8.677 8.613 0.064 18749
6599 1 19 . 1 1 66 66 LEU N N 66 125.688 125.688 120.892 4.796 18749
6600 1 19 . 1 1 66 66 LEU HA H 66 4.088 4.088 4.019 0.069 18749
6601 1 19 . 1 1 66 66 LEU C C 66 178.676 178.676 178.048 0.628 18749
6602 1 19 . 1 1 66 66 LEU CA C 66 57.836 57.836 56.540 1.296 18749
6603 1 19 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.547 1.649 18749
6604 1 19 . 1 1 66 66 LEU H H 66 8.733 8.733 8.055 0.678 18749
6605 1 19 . 1 1 67 67 ALA N N 67 119.916 119.916 121.231 -1.315 18749
6606 1 19 . 1 1 67 67 ALA C C 67 180.513 180.513 178.725 1.788 18749
6607 1 19 . 1 1 67 67 ALA CA C 67 55.151 55.151 54.343 0.808 18749
6608 1 19 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.618 -0.500 18749
6609 1 19 . 1 1 67 67 ALA H H 67 8.076 8.076 7.646 0.430 18749
6610 1 19 . 1 1 68 68 ILE N N 68 119.735 119.735 117.163 2.572 18749
6611 1 19 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.767 -0.108 18749
6612 1 19 . 1 1 68 68 ILE C C 68 177.647 177.647 176.506 1.141 18749
6613 1 19 . 1 1 68 68 ILE CA C 68 63.267 63.267 62.860 0.407 18749
6614 1 19 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.298 0.040 18749
6615 1 19 . 1 1 68 68 ILE H H 68 7.342 7.342 7.135 0.207 18749
6616 1 19 . 1 1 69 69 HIS N N 69 119.542 119.542 121.199 -1.657 18749
6617 1 19 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.414 -0.111 18749
6618 1 19 . 1 1 69 69 HIS CA C 69 59.224 59.224 56.161 3.063 18749
6619 1 19 . 1 1 69 69 HIS CB C 69 28.569 28.569 30.222 -1.653 18749
6620 1 19 . 1 1 69 69 HIS H H 69 6.608 6.608 8.221 -1.613 18749
6621 1 19 . 1 1 84 84 GLY C C 84 174.391 174.391 174.225 0.166 18749
6622 1 19 . 1 1 84 84 GLY CA C 84 45.472 45.472 44.354 1.118 18749
6623 1 19 . 1 1 85 85 THR N N 85 112.734 112.734 113.489 -0.755 18749
6624 1 19 . 1 1 85 85 THR C C 85 175.056 175.056 176.048 -0.992 18749
6625 1 19 . 1 1 85 85 THR CA C 85 61.980 61.980 61.893 0.087 18749
6626 1 19 . 1 1 85 85 THR CB C 85 69.868 69.868 69.395 0.473 18749
6627 1 19 . 1 1 85 85 THR H H 85 8.012 8.012 8.069 -0.057 18749
6628 1 19 . 1 1 86 86 GLY N N 86 111.173 111.173 109.254 1.919 18749
6629 1 19 . 1 1 86 86 GLY C C 86 172.909 172.909 172.973 -0.064 18749
6630 1 19 . 1 1 86 86 GLY CA C 86 45.268 45.268 45.477 -0.209 18749
6631 1 19 . 1 1 86 86 GLY H H 86 8.276 8.276 8.670 -0.394 18749
6632 1 20 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.463 -0.072 18749
6633 1 20 . 1 1 4 4 PRO C C 4 176.097 176.097 176.449 -0.352 18749
6634 1 20 . 1 1 4 4 PRO CA C 4 62.965 62.965 62.892 0.073 18749
6635 1 20 . 1 1 4 4 PRO CB C 4 31.902 31.902 32.364 -0.462 18749
6636 1 20 . 1 1 5 5 VAL N N 5 121.993 121.993 122.964 -0.971 18749
6637 1 20 . 1 1 5 5 VAL HA H 5 4.341 4.341 4.283 0.058 18749
6638 1 20 . 1 1 5 5 VAL CA C 5 59.763 59.763 61.056 -1.293 18749
6639 1 20 . 1 1 5 5 VAL CB C 5 32.567 32.567 33.243 -0.676 18749
6640 1 20 . 1 1 5 5 VAL H H 5 8.149 8.149 8.489 -0.340 18749
6641 1 20 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.298 -0.042 18749
6642 1 20 . 1 1 6 6 PRO C C 6 176.167 176.167 176.423 -0.256 18749
6643 1 20 . 1 1 6 6 PRO CA C 6 63.138 63.138 63.817 -0.679 18749
6644 1 20 . 1 1 6 6 PRO CB C 6 31.877 31.877 31.822 0.055 18749
6645 1 20 . 1 1 7 7 TYR N N 7 121.107 121.107 119.618 1.489 18749
6646 1 20 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.304 0.139 18749
6647 1 20 . 1 1 7 7 TYR CA C 7 55.602 55.602 56.738 -1.136 18749
6648 1 20 . 1 1 7 7 TYR CB C 7 38.212 38.212 37.461 0.751 18749
6649 1 20 . 1 1 7 7 TYR H H 7 7.945 7.945 8.109 -0.164 18749
6650 1 20 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.586 -0.298 18749
6651 1 20 . 1 1 8 8 PRO C C 8 176.122 176.122 175.698 0.424 18749
6652 1 20 . 1 1 8 8 PRO CA C 8 62.983 62.983 62.454 0.529 18749
6653 1 20 . 1 1 8 8 PRO CB C 8 31.913 31.913 32.473 -0.560 18749
6654 1 20 . 1 1 9 9 ASP N N 9 122.332 122.332 119.182 3.150 18749
6655 1 20 . 1 1 9 9 ASP HA H 9 4.466 4.466 4.676 -0.210 18749
6656 1 20 . 1 1 9 9 ASP CA C 9 52.317 52.317 52.518 -0.201 18749
6657 1 20 . 1 1 9 9 ASP CB C 9 41.371 41.371 39.727 1.644 18749
6658 1 20 . 1 1 9 9 ASP H H 9 8.204 8.204 8.401 -0.197 18749
6659 1 20 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.305 0.004 18749
6660 1 20 . 1 1 10 10 PRO C C 10 177.003 177.003 177.251 -0.248 18749
6661 1 20 . 1 1 10 10 PRO CA C 10 63.635 63.635 64.322 -0.687 18749
6662 1 20 . 1 1 10 10 PRO CB C 10 32.207 32.207 31.759 0.449 18749
6663 1 20 . 1 1 11 11 LEU N N 11 120.566 120.566 116.975 3.591 18749
6664 1 20 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.172 0.049 18749
6665 1 20 . 1 1 11 11 LEU C C 11 177.277 177.277 176.861 0.416 18749
6666 1 20 . 1 1 11 11 LEU CA C 11 54.938 54.938 55.417 -0.479 18749
6667 1 20 . 1 1 11 11 LEU CB C 11 41.908 41.908 41.971 -0.063 18749
6668 1 20 . 1 1 11 11 LEU H H 11 8.295 8.295 7.534 0.761 18749
6669 1 20 . 1 1 12 12 GLU N N 12 122.415 122.415 115.814 6.601 18749
6670 1 20 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.058 0.326 18749
6671 1 20 . 1 1 12 12 GLU CA C 12 54.384 54.384 55.908 -1.524 18749
6672 1 20 . 1 1 12 12 GLU CB C 12 29.988 29.988 27.927 2.061 18749
6673 1 20 . 1 1 12 12 GLU H H 12 7.857 7.857 7.788 0.069 18749
6674 1 20 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.363 -0.114 18749
6675 1 20 . 1 1 13 13 PRO C C 13 177.132 177.132 177.216 -0.084 18749
6676 1 20 . 1 1 13 13 PRO CA C 13 63.458 63.458 63.111 0.347 18749
6677 1 20 . 1 1 13 13 PRO CB C 13 31.862 31.862 32.312 -0.450 18749
6678 1 20 . 1 1 14 14 ARG N N 14 121.214 121.214 122.002 -0.788 18749
6679 1 20 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.128 0.031 18749
6680 1 20 . 1 1 14 14 ARG CA C 14 56.162 56.162 56.755 -0.593 18749
6681 1 20 . 1 1 14 14 ARG CB C 14 30.632 30.632 30.310 0.322 18749
6682 1 20 . 1 1 14 14 ARG H H 14 8.337 8.337 8.501 -0.164 18749
6683 1 20 . 1 1 15 15 GLY N N 15 109.686 109.686 106.959 2.727 18749
6684 1 20 . 1 1 15 15 GLY C C 15 174.130 174.130 173.921 0.209 18749
6685 1 20 . 1 1 15 15 GLY CA C 15 45.312 45.312 44.271 1.041 18749
6686 1 20 . 1 1 15 15 GLY H H 15 8.280 8.280 7.670 0.610 18749
6687 1 20 . 1 1 16 16 GLY N N 16 108.011 108.011 106.504 1.507 18749
6688 1 20 . 1 1 16 16 GLY C C 16 172.056 172.056 175.484 -3.428 18749
6689 1 20 . 1 1 16 16 GLY CA C 16 44.895 44.895 44.362 0.533 18749
6690 1 20 . 1 1 16 16 GLY H H 16 7.764 7.764 8.304 -0.540 18749
6691 1 20 . 1 1 17 17 LYS N N 17 117.049 117.049 124.793 -7.744 18749
6692 1 20 . 1 1 17 17 LYS HA H 17 4.135 4.135 4.007 0.128 18749
6693 1 20 . 1 1 17 17 LYS C C 17 175.259 175.259 177.233 -1.974 18749
6694 1 20 . 1 1 17 17 LYS CA C 17 53.914 53.914 58.188 -4.274 18749
6695 1 20 . 1 1 17 17 LYS CB C 17 35.219 35.219 32.155 3.064 18749
6696 1 20 . 1 1 17 17 LYS H H 17 7.347 7.347 8.345 -0.998 18749
6697 1 20 . 1 1 18 18 HIS N N 18 120.426 120.426 115.283 5.143 18749
6698 1 20 . 1 1 18 18 HIS C C 18 175.419 175.419 174.968 0.451 18749
6699 1 20 . 1 1 18 18 HIS CA C 18 57.086 57.086 57.741 -0.655 18749
6700 1 20 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.303 0.189 18749
6701 1 20 . 1 1 19 19 ILE N N 19 126.193 126.193 117.486 8.707 18749
6702 1 20 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.605 -0.151 18749
6703 1 20 . 1 1 19 19 ILE C C 19 175.138 175.138 175.425 -0.287 18749
6704 1 20 . 1 1 19 19 ILE CA C 19 59.189 59.189 58.430 0.759 18749
6705 1 20 . 1 1 19 19 ILE CB C 19 41.816 41.816 37.359 4.457 18749
6706 1 20 . 1 1 19 19 ILE H H 19 8.180 8.180 7.237 0.943 18749
6707 1 20 . 1 1 20 20 CYS N N 20 127.805 127.805 126.427 1.378 18749
6708 1 20 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.512 0.403 18749
6709 1 20 . 1 1 20 20 CYS C C 20 174.996 174.996 175.958 -0.962 18749
6710 1 20 . 1 1 20 20 CYS CA C 20 57.370 57.370 58.605 -1.235 18749
6711 1 20 . 1 1 20 20 CYS CB C 20 32.008 32.008 29.407 2.600 18749
6712 1 20 . 1 1 20 20 CYS H H 20 8.382 8.382 8.814 -0.432 18749
6713 1 20 . 1 1 21 21 ALA N N 21 135.406 135.406 129.513 5.893 18749
6714 1 20 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.159 0.003 18749
6715 1 20 . 1 1 21 21 ALA C C 21 177.885 177.885 177.308 0.577 18749
6716 1 20 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.286 0.206 18749
6717 1 20 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.835 0.790 18749
6718 1 20 . 1 1 21 21 ALA H H 21 8.742 8.742 8.794 -0.052 18749
6719 1 20 . 1 1 22 22 ILE N N 22 119.063 119.063 115.703 3.360 18749
6720 1 20 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.205 -0.344 18749
6721 1 20 . 1 1 22 22 ILE C C 22 176.914 176.914 176.822 0.092 18749
6722 1 20 . 1 1 22 22 ILE CA C 22 63.218 63.218 62.676 0.542 18749
6723 1 20 . 1 1 22 22 ILE CB C 22 37.371 37.371 39.522 -2.151 18749
6724 1 20 . 1 1 22 22 ILE H H 22 8.150 8.150 7.482 0.668 18749
6725 1 20 . 1 1 23 23 CYS N N 23 114.362 114.362 116.317 -1.955 18749
6726 1 20 . 1 1 23 23 CYS C C 23 176.216 176.216 176.064 0.152 18749
6727 1 20 . 1 1 23 23 CYS CA C 23 57.878 57.878 59.534 -1.656 18749
6728 1 20 . 1 1 23 23 CYS CB C 23 30.456 30.456 26.441 4.015 18749
6729 1 20 . 1 1 23 23 CYS H H 23 7.238 7.238 8.237 -0.999 18749
6730 1 20 . 1 1 24 24 GLY N N 24 111.898 111.898 106.905 4.993 18749
6731 1 20 . 1 1 24 24 GLY C C 24 173.367 173.367 174.185 -0.818 18749
6732 1 20 . 1 1 24 24 GLY CA C 24 46.222 46.222 46.951 -0.729 18749
6733 1 20 . 1 1 24 24 GLY H H 24 7.566 7.566 8.517 -0.951 18749
6734 1 20 . 1 1 25 25 ASN N N 25 117.684 117.684 113.607 4.077 18749
6735 1 20 . 1 1 25 25 ASN HA H 25 4.763 4.763 5.143 -0.380 18749
6736 1 20 . 1 1 25 25 ASN C C 25 174.631 174.631 174.648 -0.017 18749
6737 1 20 . 1 1 25 25 ASN CA C 25 51.901 51.901 52.271 -0.370 18749
6738 1 20 . 1 1 25 25 ASN CB C 25 40.666 40.666 38.882 1.784 18749
6739 1 20 . 1 1 25 25 ASN H H 25 7.781 7.781 8.535 -0.754 18749
6740 1 20 . 1 1 26 26 ASN N N 26 118.294 118.294 117.699 0.595 18749
6741 1 20 . 1 1 26 26 ASN HA H 26 4.570 4.570 4.789 -0.219 18749
6742 1 20 . 1 1 26 26 ASN C C 26 175.502 175.502 175.359 0.143 18749
6743 1 20 . 1 1 26 26 ASN CA C 26 53.980 53.980 54.084 -0.104 18749
6744 1 20 . 1 1 26 26 ASN CB C 26 38.066 38.066 38.722 -0.656 18749
6745 1 20 . 1 1 26 26 ASN H H 26 8.562 8.562 8.609 -0.047 18749
6746 1 20 . 1 1 27 27 ALA N N 27 126.538 126.538 122.878 3.660 18749
6747 1 20 . 1 1 27 27 ALA C C 27 177.920 177.920 175.921 1.999 18749
6748 1 20 . 1 1 27 27 ALA CA C 27 53.567 53.567 52.395 1.172 18749
6749 1 20 . 1 1 27 27 ALA CB C 27 18.852 18.852 16.738 2.114 18749
6750 1 20 . 1 1 27 27 ALA H H 27 8.217 8.217 8.407 -0.190 18749
6751 1 20 . 1 1 28 28 GLU N N 28 112.911 112.911 117.172 -4.261 18749
6752 1 20 . 1 1 28 28 GLU HA H 28 4.099 4.099 4.311 -0.212 18749
6753 1 20 . 1 1 28 28 GLU C C 28 177.423 177.423 175.016 2.407 18749
6754 1 20 . 1 1 28 28 GLU CA C 28 57.783 57.783 56.342 1.441 18749
6755 1 20 . 1 1 28 28 GLU CB C 28 30.926 30.926 31.512 -0.585 18749
6756 1 20 . 1 1 28 28 GLU H H 28 8.608 8.608 8.345 0.263 18749
6757 1 20 . 1 1 29 29 ASP N N 29 116.209 116.209 120.347 -4.138 18749
6758 1 20 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.447 -0.013 18749
6759 1 20 . 1 1 29 29 ASP C C 29 174.486 174.486 174.512 -0.026 18749
6760 1 20 . 1 1 29 29 ASP CA C 29 55.349 55.349 53.095 2.254 18749
6761 1 20 . 1 1 29 29 ASP CB C 29 42.596 42.596 41.906 0.690 18749
6762 1 20 . 1 1 29 29 ASP H H 29 7.272 7.272 7.582 -0.310 18749
6763 1 20 . 1 1 30 30 TYR N N 30 116.344 116.344 120.161 -3.817 18749
6764 1 20 . 1 1 30 30 TYR CA C 30 57.018 57.018 58.267 -1.249 18749
6765 1 20 . 1 1 30 30 TYR CB C 30 43.459 43.459 39.247 4.212 18749
6766 1 20 . 1 1 30 30 TYR H H 30 7.281 7.281 8.133 -0.852 18749
6767 1 20 . 1 1 31 31 LYS C C 31 177.018 177.018 176.374 0.644 18749
6768 1 20 . 1 1 32 32 HIS N N 32 116.170 116.170 118.696 -2.526 18749
6769 1 20 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.512 -0.710 18749
6770 1 20 . 1 1 32 32 HIS C C 32 173.979 173.979 176.918 -2.939 18749
6771 1 20 . 1 1 32 32 HIS CA C 32 55.136 55.136 59.856 -4.721 18749
6772 1 20 . 1 1 32 32 HIS CB C 32 33.128 33.128 30.266 2.862 18749
6773 1 20 . 1 1 32 32 HIS H H 32 7.691 7.691 8.682 -0.991 18749
6774 1 20 . 1 1 33 33 THR N N 33 108.605 108.605 111.006 -2.401 18749
6775 1 20 . 1 1 33 33 THR HA H 33 4.424 4.424 4.215 0.209 18749
6776 1 20 . 1 1 33 33 THR C C 33 175.107 175.107 175.071 0.036 18749
6777 1 20 . 1 1 33 33 THR CA C 33 60.218 60.218 63.745 -3.527 18749
6778 1 20 . 1 1 33 33 THR CB C 33 69.476 69.476 69.193 0.283 18749
6779 1 20 . 1 1 33 33 THR H H 33 8.051 8.051 8.226 -0.175 18749
6780 1 20 . 1 1 34 34 ASP N N 34 121.404 121.404 120.168 1.236 18749
6781 1 20 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.511 0.079 18749
6782 1 20 . 1 1 34 34 ASP C C 34 175.334 175.334 177.219 -1.885 18749
6783 1 20 . 1 1 34 34 ASP CA C 34 53.564 53.564 56.385 -2.821 18749
6784 1 20 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.657 -0.237 18749
6785 1 20 . 1 1 34 34 ASP H H 34 7.973 7.973 8.307 -0.334 18749
6786 1 20 . 1 1 35 35 MET N N 35 119.898 119.898 116.175 3.723 18749
6787 1 20 . 1 1 35 35 MET HA H 35 4.398 4.398 4.325 0.073 18749
6788 1 20 . 1 1 35 35 MET C C 35 174.846 174.846 176.798 -1.952 18749
6789 1 20 . 1 1 35 35 MET CA C 35 55.631 55.631 56.421 -0.790 18749
6790 1 20 . 1 1 35 35 MET CB C 35 33.382 33.382 32.930 0.452 18749
6791 1 20 . 1 1 35 35 MET H H 35 7.585 7.585 7.540 0.045 18749
6792 1 20 . 1 1 36 36 ASP N N 36 123.631 123.631 119.733 3.898 18749
6793 1 20 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.628 -0.142 18749
6794 1 20 . 1 1 36 36 ASP C C 36 176.456 176.456 175.805 0.651 18749
6795 1 20 . 1 1 36 36 ASP CA C 36 54.279 54.279 53.820 0.459 18749
6796 1 20 . 1 1 36 36 ASP CB C 36 41.156 41.156 41.312 -0.156 18749
6797 1 20 . 1 1 36 36 ASP H H 36 8.360 8.360 7.862 0.498 18749
6798 1 20 . 1 1 37 37 LEU N N 37 123.812 123.812 124.252 -0.440 18749
6799 1 20 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.420 -0.117 18749
6800 1 20 . 1 1 37 37 LEU C C 37 177.554 177.554 176.704 0.850 18749
6801 1 20 . 1 1 37 37 LEU CA C 37 55.317 55.317 55.119 0.198 18749
6802 1 20 . 1 1 37 37 LEU CB C 37 41.945 41.945 42.286 -0.341 18749
6803 1 20 . 1 1 37 37 LEU H H 37 8.224 8.224 8.412 -0.188 18749
6804 1 20 . 1 1 38 38 THR N N 38 113.723 113.723 112.066 1.657 18749
6805 1 20 . 1 1 38 38 THR HA H 38 4.153 4.153 4.497 -0.344 18749
6806 1 20 . 1 1 38 38 THR C C 38 174.786 174.786 174.488 0.298 18749
6807 1 20 . 1 1 38 38 THR CA C 38 62.673 62.673 60.688 1.984 18749
6808 1 20 . 1 1 38 38 THR CB C 38 69.792 69.792 71.129 -1.337 18749
6809 1 20 . 1 1 38 38 THR H H 38 8.321 8.321 7.867 0.454 18749
6810 1 20 . 1 1 39 39 TYR N N 39 121.098 121.098 121.606 -0.508 18749
6811 1 20 . 1 1 39 39 TYR C C 39 175.992 175.992 176.394 -0.402 18749
6812 1 20 . 1 1 39 39 TYR CA C 39 58.083 58.083 60.055 -1.972 18749
6813 1 20 . 1 1 39 39 TYR CB C 39 38.309 38.309 38.881 -0.572 18749
6814 1 20 . 1 1 39 39 TYR H H 39 7.920 7.920 9.103 -1.183 18749
6815 1 20 . 1 1 40 40 THR N N 40 113.380 113.380 108.502 4.878 18749
6816 1 20 . 1 1 40 40 THR C C 40 174.356 174.356 173.538 0.818 18749
6817 1 20 . 1 1 40 40 THR CA C 40 61.801 61.801 59.858 1.943 18749
6818 1 20 . 1 1 40 40 THR CB C 40 69.965 69.965 72.266 -2.301 18749
6819 1 20 . 1 1 40 40 THR H H 40 7.885 7.885 7.318 0.567 18749
6820 1 20 . 1 1 41 41 ASP N N 41 121.537 121.537 122.076 -0.539 18749
6821 1 20 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.932 -0.464 18749
6822 1 20 . 1 1 41 41 ASP C C 41 176.338 176.338 175.720 0.618 18749
6823 1 20 . 1 1 41 41 ASP CA C 41 54.674 54.674 54.202 0.472 18749
6824 1 20 . 1 1 41 41 ASP CB C 41 40.996 40.996 40.025 0.971 18749
6825 1 20 . 1 1 41 41 ASP H H 41 8.184 8.184 8.655 -0.471 18749
6826 1 20 . 1 1 42 42 ARG N N 42 119.745 119.745 118.649 1.096 18749
6827 1 20 . 1 1 42 42 ARG HA H 42 4.171 4.171 4.578 -0.407 18749
6828 1 20 . 1 1 42 42 ARG C C 42 175.906 175.906 174.728 1.178 18749
6829 1 20 . 1 1 42 42 ARG CA C 42 56.644 56.644 55.163 1.481 18749
6830 1 20 . 1 1 42 42 ARG CB C 42 30.788 30.788 33.120 -2.332 18749
6831 1 20 . 1 1 42 42 ARG H H 42 7.997 7.997 7.182 0.815 18749
6832 1 20 . 1 1 43 43 ASP N N 43 119.314 119.314 123.698 -4.384 18749
6833 1 20 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.541 -0.038 18749
6834 1 20 . 1 1 43 43 ASP C C 43 175.599 175.599 176.964 -1.365 18749
6835 1 20 . 1 1 43 43 ASP CA C 43 54.368 54.368 54.601 -0.233 18749
6836 1 20 . 1 1 43 43 ASP CB C 43 41.071 41.071 41.876 -0.805 18749
6837 1 20 . 1 1 43 43 ASP H H 43 8.181 8.181 8.538 -0.357 18749
6838 1 20 . 1 1 44 44 TYR N N 44 120.178 120.178 120.988 -0.810 18749
6839 1 20 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.300 0.024 18749
6840 1 20 . 1 1 44 44 TYR C C 44 175.321 175.321 176.785 -1.464 18749
6841 1 20 . 1 1 44 44 TYR CA C 44 58.553 58.553 59.969 -1.416 18749
6842 1 20 . 1 1 44 44 TYR CB C 44 38.614 38.614 38.834 -0.220 18749
6843 1 20 . 1 1 44 44 TYR H H 44 7.806 7.806 8.317 -0.511 18749
6844 1 20 . 1 1 45 45 LYS N N 45 123.353 123.353 118.777 4.576 18749
6845 1 20 . 1 1 45 45 LYS CA C 45 55.745 55.745 55.950 -0.205 18749
6846 1 20 . 1 1 45 45 LYS CB C 45 33.789 33.789 33.654 0.135 18749
6847 1 20 . 1 1 45 45 LYS H H 45 7.731 7.731 7.830 -0.099 18749
6848 1 20 . 1 1 47 47 CYS N N 47 125.060 125.060 122.755 2.305 18749
6849 1 20 . 1 1 47 47 CYS H H 47 8.811 8.811 8.616 0.195 18749
6850 1 20 . 1 1 48 48 GLU C C 48 178.473 178.473 175.146 3.327 18749
6851 1 20 . 1 1 49 49 SER N N 49 120.359 120.359 115.676 4.683 18749
6852 1 20 . 1 1 49 49 SER C C 49 172.276 172.276 172.506 -0.230 18749
6853 1 20 . 1 1 49 49 SER CA C 49 61.125 61.125 57.978 3.147 18749
6854 1 20 . 1 1 49 49 SER CB C 49 63.224 63.224 64.946 -1.722 18749
6855 1 20 . 1 1 49 49 SER H H 49 8.737 8.737 8.070 0.667 18749
6856 1 20 . 1 1 50 50 TYR N N 50 110.556 110.556 119.453 -8.897 18749
6857 1 20 . 1 1 50 50 TYR C C 50 175.624 175.624 174.453 1.171 18749
6858 1 20 . 1 1 50 50 TYR CA C 50 59.205 59.205 57.924 1.281 18749
6859 1 20 . 1 1 50 50 TYR CB C 50 38.197 38.197 40.709 -2.511 18749
6860 1 20 . 1 1 50 50 TYR H H 50 6.326 6.326 8.132 -1.806 18749
6861 1 20 . 1 1 51 51 HIS N N 51 119.871 119.871 119.940 -0.069 18749
6862 1 20 . 1 1 51 51 HIS HA H 51 3.757 3.757 4.443 -0.686 18749
6863 1 20 . 1 1 51 51 HIS C C 51 176.588 176.588 176.344 0.244 18749
6864 1 20 . 1 1 51 51 HIS CA C 51 59.323 59.323 58.318 1.005 18749
6865 1 20 . 1 1 51 51 HIS CB C 51 27.514 27.514 30.378 -2.864 18749
6866 1 20 . 1 1 51 51 HIS H H 51 5.890 5.890 8.786 -2.896 18749
6867 1 20 . 1 1 52 52 LYS N N 52 122.505 122.505 119.648 2.857 18749
6868 1 20 . 1 1 52 52 LYS C C 52 178.958 178.958 177.344 1.614 18749
6869 1 20 . 1 1 52 52 LYS CA C 52 58.922 58.922 57.290 1.632 18749
6870 1 20 . 1 1 52 52 LYS CB C 52 31.291 31.291 32.589 -1.298 18749
6871 1 20 . 1 1 52 52 LYS H H 52 7.660 7.660 8.271 -0.611 18749
6872 1 20 . 1 1 53 53 CYS N N 53 117.268 117.268 117.588 -0.320 18749
6873 1 20 . 1 1 53 53 CYS C C 53 179.241 179.241 175.797 3.444 18749
6874 1 20 . 1 1 53 53 CYS CA C 53 64.802 64.802 60.282 4.520 18749
6875 1 20 . 1 1 53 53 CYS CB C 53 30.906 30.906 28.545 2.361 18749
6876 1 20 . 1 1 53 53 CYS H H 53 8.256 8.256 8.266 -0.010 18749
6877 1 20 . 1 1 54 54 SER N N 54 111.716 111.716 120.551 -8.835 18749
6878 1 20 . 1 1 54 54 SER HA H 54 3.839 3.839 4.504 -0.665 18749
6879 1 20 . 1 1 54 54 SER C C 54 175.922 175.922 174.380 1.542 18749
6880 1 20 . 1 1 54 54 SER CA C 54 60.263 60.263 59.651 0.612 18749
6881 1 20 . 1 1 54 54 SER CB C 54 64.120 64.120 63.452 0.668 18749
6882 1 20 . 1 1 54 54 SER H H 54 7.671 7.671 8.750 -1.079 18749
6883 1 20 . 1 1 55 55 ASP N N 55 119.056 119.056 119.594 -0.538 18749
6884 1 20 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.424 -0.129 18749
6885 1 20 . 1 1 55 55 ASP C C 55 178.101 178.101 174.915 3.186 18749
6886 1 20 . 1 1 55 55 ASP CA C 55 57.387 57.387 55.081 2.306 18749
6887 1 20 . 1 1 55 55 ASP CB C 55 40.315 40.315 39.243 1.072 18749
6888 1 20 . 1 1 55 55 ASP H H 55 7.438 7.438 8.475 -1.037 18749
6889 1 20 . 1 1 56 56 LEU N N 56 118.324 118.324 111.859 6.465 18749
6890 1 20 . 1 1 56 56 LEU HA H 56 4.168 4.168 4.567 -0.399 18749
6891 1 20 . 1 1 56 56 LEU C C 56 176.250 176.250 176.031 0.219 18749
6892 1 20 . 1 1 56 56 LEU CA C 56 55.333 55.333 55.637 -0.304 18749
6893 1 20 . 1 1 56 56 LEU CB C 56 43.173 43.173 42.620 0.553 18749
6894 1 20 . 1 1 56 56 LEU H H 56 7.565 7.565 7.797 -0.232 18749
6895 1 20 . 1 1 57 57 CYS N N 57 124.095 124.095 123.367 0.728 18749
6896 1 20 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.692 -0.437 18749
6897 1 20 . 1 1 57 57 CYS C C 57 177.371 177.371 175.217 2.154 18749
6898 1 20 . 1 1 57 57 CYS CA C 57 59.255 59.255 58.941 0.315 18749
6899 1 20 . 1 1 57 57 CYS CB C 57 30.128 30.128 27.904 2.224 18749
6900 1 20 . 1 1 57 57 CYS H H 57 7.265 7.265 7.817 -0.552 18749
6901 1 20 . 1 1 58 58 GLN N N 58 131.839 131.839 128.142 3.697 18749
6902 1 20 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.036 -0.113 18749
6903 1 20 . 1 1 58 58 GLN C C 58 178.435 178.435 177.480 0.955 18749
6904 1 20 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.258 1.030 18749
6905 1 20 . 1 1 58 58 GLN CB C 58 28.195 28.195 28.285 -0.090 18749
6906 1 20 . 1 1 58 58 GLN H H 58 9.451 9.451 8.982 0.469 18749
6907 1 20 . 1 1 59 59 TYR N N 59 124.026 124.026 119.826 4.200 18749
6908 1 20 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.565 -0.136 18749
6909 1 20 . 1 1 59 59 TYR C C 59 178.722 178.722 177.422 1.300 18749
6910 1 20 . 1 1 59 59 TYR CA C 59 60.295 60.295 61.046 -0.751 18749
6911 1 20 . 1 1 59 59 TYR CB C 59 38.591 38.591 38.238 0.353 18749
6912 1 20 . 1 1 59 59 TYR H H 59 8.699 8.699 8.039 0.660 18749
6913 1 20 . 1 1 60 60 CYS N N 60 122.268 122.268 116.444 5.824 18749
6914 1 20 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.681 -0.364 18749
6915 1 20 . 1 1 60 60 CYS C C 60 176.011 176.011 176.375 -0.364 18749
6916 1 20 . 1 1 60 60 CYS CA C 60 64.499 64.499 60.980 3.519 18749
6917 1 20 . 1 1 60 60 CYS CB C 60 30.203 30.203 25.865 4.338 18749
6918 1 20 . 1 1 60 60 CYS H H 60 8.432 8.432 7.875 0.557 18749
6919 1 20 . 1 1 61 61 ARG N N 61 116.449 116.449 119.002 -2.553 18749
6920 1 20 . 1 1 61 61 ARG HA H 61 3.895 3.895 4.008 -0.113 18749
6921 1 20 . 1 1 61 61 ARG C C 61 176.965 176.965 177.613 -0.648 18749
6922 1 20 . 1 1 61 61 ARG CA C 61 58.336 58.336 58.719 -0.383 18749
6923 1 20 . 1 1 61 61 ARG CB C 61 29.771 29.771 30.041 -0.270 18749
6924 1 20 . 1 1 61 61 ARG H H 61 7.265 7.265 7.525 -0.260 18749
6925 1 20 . 1 1 62 62 TYR N N 62 117.341 117.341 116.082 1.259 18749
6926 1 20 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.433 0.036 18749
6927 1 20 . 1 1 62 62 TYR C C 62 175.562 175.562 176.832 -1.270 18749
6928 1 20 . 1 1 62 62 TYR CA C 62 58.566 58.566 59.819 -1.252 18749
6929 1 20 . 1 1 62 62 TYR CB C 62 39.182 39.182 39.772 -0.590 18749
6930 1 20 . 1 1 62 62 TYR H H 62 7.259 7.259 7.553 -0.294 18749
6931 1 20 . 1 1 63 63 GLN N N 63 121.663 121.663 118.000 3.663 18749
6932 1 20 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.577 -0.367 18749
6933 1 20 . 1 1 63 63 GLN C C 63 173.076 173.076 174.886 -1.810 18749
6934 1 20 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.776 -0.284 18749
6935 1 20 . 1 1 63 63 GLN CB C 63 29.401 29.401 31.383 -1.982 18749
6936 1 20 . 1 1 63 63 GLN H H 63 7.856 7.856 7.885 -0.029 18749
6937 1 20 . 1 1 64 64 LYS N N 64 127.668 127.668 125.547 2.121 18749
6938 1 20 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.168 0.133 18749
6939 1 20 . 1 1 64 64 LYS C C 64 177.301 177.301 175.927 1.374 18749
6940 1 20 . 1 1 64 64 LYS CA C 64 58.182 58.182 57.255 0.927 18749
6941 1 20 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.506 0.008 18749
6942 1 20 . 1 1 64 64 LYS H H 64 8.204 8.204 8.681 -0.477 18749
6943 1 20 . 1 1 65 65 ASP N N 65 131.040 131.040 124.568 6.472 18749
6944 1 20 . 1 1 65 65 ASP C C 65 174.529 174.529 177.159 -2.630 18749
6945 1 20 . 1 1 65 65 ASP CA C 65 53.232 53.232 53.810 -0.578 18749
6946 1 20 . 1 1 65 65 ASP CB C 65 41.222 41.222 41.552 -0.330 18749
6947 1 20 . 1 1 65 65 ASP H H 65 8.677 8.677 8.571 0.106 18749
6948 1 20 . 1 1 66 66 LEU N N 66 125.688 125.688 120.670 5.018 18749
6949 1 20 . 1 1 66 66 LEU HA H 66 4.088 4.088 4.010 0.078 18749
6950 1 20 . 1 1 66 66 LEU C C 66 178.676 178.676 177.587 1.089 18749
6951 1 20 . 1 1 66 66 LEU CA C 66 57.836 57.836 56.296 1.540 18749
6952 1 20 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.523 1.673 18749
6953 1 20 . 1 1 66 66 LEU H H 66 8.733 8.733 7.936 0.797 18749
6954 1 20 . 1 1 67 67 ALA N N 67 119.916 119.916 121.268 -1.352 18749
6955 1 20 . 1 1 67 67 ALA C C 67 180.513 180.513 178.663 1.850 18749
6956 1 20 . 1 1 67 67 ALA CA C 67 55.151 55.151 54.287 0.864 18749
6957 1 20 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.834 -0.716 18749
6958 1 20 . 1 1 67 67 ALA H H 67 8.076 8.076 7.691 0.385 18749
6959 1 20 . 1 1 68 68 ILE N N 68 119.735 119.735 116.101 3.634 18749
6960 1 20 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.672 -0.013 18749
6961 1 20 . 1 1 68 68 ILE C C 68 177.647 177.647 176.236 1.411 18749
6962 1 20 . 1 1 68 68 ILE CA C 68 63.267 63.267 63.547 -0.280 18749
6963 1 20 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.441 -0.103 18749
6964 1 20 . 1 1 68 68 ILE H H 68 7.342 7.342 7.164 0.178 18749
6965 1 20 . 1 1 69 69 HIS N N 69 119.542 119.542 119.589 -0.047 18749
6966 1 20 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.410 -0.107 18749
6967 1 20 . 1 1 69 69 HIS CA C 69 59.224 59.224 56.846 2.378 18749
6968 1 20 . 1 1 69 69 HIS CB C 69 28.569 28.569 30.723 -2.154 18749
6969 1 20 . 1 1 69 69 HIS H H 69 6.608 6.608 8.193 -1.585 18749
6970 1 20 . 1 1 84 84 GLY C C 84 174.391 174.391 174.889 -0.498 18749
6971 1 20 . 1 1 84 84 GLY CA C 84 45.472 45.472 45.738 -0.266 18749
6972 1 20 . 1 1 85 85 THR N N 85 112.734 112.734 112.420 0.314 18749
6973 1 20 . 1 1 85 85 THR C C 85 175.056 175.056 176.415 -1.359 18749
6974 1 20 . 1 1 85 85 THR CA C 85 61.980 61.980 62.862 -0.882 18749
6975 1 20 . 1 1 85 85 THR CB C 85 69.868 69.868 69.183 0.685 18749
6976 1 20 . 1 1 85 85 THR H H 85 8.012 8.012 7.872 0.140 18749
6977 1 20 . 1 1 86 86 GLY N N 86 111.173 111.173 109.652 1.521 18749
6978 1 20 . 1 1 86 86 GLY C C 86 172.909 172.909 174.454 -1.545 18749
6979 1 20 . 1 1 86 86 GLY CA C 86 45.268 45.268 45.715 -0.447 18749
6980 1 20 . 1 1 86 86 GLY H H 86 8.276 8.276 8.394 -0.118 18749
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 60 3.771 -0.785 3.720 18749
2 1 1 "Average Difference" HA 56 0.281 0.097 0.266 18749
3 1 1 "Average Difference" C 59 1.332 -0.089 1.340 18749
4 1 1 "Average Difference" CA 65 1.662 0.126 1.670 18749
5 1 1 "Average Difference" CB 60 1.445 -0.363 1.410 18749
6 1 1 "Average Difference" HN 59 0.644 0.223 0.610 18749
7 1 2 "Average Difference" N 60 4.112 -1.006 4.021 18749
8 1 2 "Average Difference" HA 56 0.314 0.106 0.298 18749
9 1 2 "Average Difference" C 59 1.455 -0.123 1.462 18749
10 1 2 "Average Difference" CA 65 1.582 0.136 1.589 18749
11 1 2 "Average Difference" CB 60 1.548 -0.402 1.508 18749
12 1 2 "Average Difference" HN 59 0.756 0.222 0.729 18749
13 1 3 "Average Difference" N 60 3.656 -0.915 3.570 18749
14 1 3 "Average Difference" HA 56 0.256 0.116 0.230 18749
15 1 3 "Average Difference" C 59 1.478 -0.046 1.490 18749
16 1 3 "Average Difference" CA 65 1.775 0.022 1.789 18749
17 1 3 "Average Difference" CB 60 1.593 -0.394 1.557 18749
18 1 3 "Average Difference" HN 59 0.692 0.231 0.658 18749
19 1 4 "Average Difference" N 60 4.582 -0.835 4.543 18749
20 1 4 "Average Difference" HA 56 0.244 0.074 0.234 18749
21 1 4 "Average Difference" C 59 1.430 -0.071 1.440 18749
22 1 4 "Average Difference" CA 65 1.722 0.074 1.734 18749
23 1 4 "Average Difference" CB 60 1.553 -0.266 1.543 18749
24 1 4 "Average Difference" HN 59 0.668 0.197 0.644 18749
25 1 5 "Average Difference" N 60 4.012 -0.588 4.002 18749
26 1 5 "Average Difference" HA 56 0.317 0.106 0.302 18749
27 1 5 "Average Difference" C 59 1.283 -0.198 1.278 18749
28 1 5 "Average Difference" CA 65 1.745 0.015 1.759 18749
29 1 5 "Average Difference" CB 60 1.720 -0.434 1.678 18749
30 1 5 "Average Difference" HN 59 0.737 0.232 0.705 18749
31 1 6 "Average Difference" N 60 3.745 -1.149 3.595 18749
32 1 6 "Average Difference" HA 56 0.284 0.080 0.275 18749
33 1 6 "Average Difference" C 59 1.519 0.071 1.530 18749
34 1 6 "Average Difference" CA 65 1.750 0.233 1.748 18749
35 1 6 "Average Difference" CB 60 1.755 -0.537 1.685 18749
36 1 6 "Average Difference" HN 59 0.716 0.164 0.703 18749
37 1 7 "Average Difference" N 60 3.693 -0.930 3.605 18749
38 1 7 "Average Difference" HA 56 0.300 0.099 0.286 18749
39 1 7 "Average Difference" C 59 1.306 -0.048 1.317 18749
40 1 7 "Average Difference" CA 65 1.873 0.090 1.885 18749
41 1 7 "Average Difference" CB 60 1.508 -0.374 1.473 18749
42 1 7 "Average Difference" HN 59 0.678 0.187 0.658 18749
43 1 8 "Average Difference" N 60 3.944 -0.635 3.926 18749
44 1 8 "Average Difference" HA 56 0.328 0.136 0.301 18749
45 1 8 "Average Difference" C 59 1.515 -0.249 1.507 18749
46 1 8 "Average Difference" CA 65 1.696 -0.012 1.709 18749
47 1 8 "Average Difference" CB 60 1.578 -0.429 1.532 18749
48 1 8 "Average Difference" HN 59 0.745 0.217 0.719 18749
49 1 9 "Average Difference" N 60 3.800 -0.897 3.723 18749
50 1 9 "Average Difference" HA 56 0.229 0.089 0.213 18749
51 1 9 "Average Difference" C 59 1.505 -0.094 1.515 18749
52 1 9 "Average Difference" CA 65 1.667 -0.081 1.678 18749
53 1 9 "Average Difference" CB 60 1.632 -0.429 1.588 18749
54 1 9 "Average Difference" HN 59 0.668 0.210 0.640 18749
55 1 10 "Average Difference" N 60 3.546 -0.994 3.433 18749
56 1 10 "Average Difference" HA 56 0.236 0.078 0.225 18749
57 1 10 "Average Difference" C 59 1.517 -0.024 1.529 18749
58 1 10 "Average Difference" CA 65 1.690 0.032 1.703 18749
59 1 10 "Average Difference" CB 60 1.728 -0.419 1.691 18749
60 1 10 "Average Difference" HN 59 0.655 0.217 0.624 18749
61 1 11 "Average Difference" N 60 4.582 -0.798 4.550 18749
62 1 11 "Average Difference" HA 56 0.300 0.087 0.290 18749
63 1 11 "Average Difference" C 59 1.388 -0.014 1.400 18749
64 1 11 "Average Difference" CA 65 1.621 0.268 1.611 18749
65 1 11 "Average Difference" CB 60 1.638 -0.425 1.596 18749
66 1 11 "Average Difference" HN 59 0.696 0.212 0.669 18749
67 1 12 "Average Difference" N 60 4.049 -0.937 3.972 18749
68 1 12 "Average Difference" HA 56 0.265 0.089 0.252 18749
69 1 12 "Average Difference" C 59 1.511 -0.208 1.509 18749
70 1 12 "Average Difference" CA 65 1.807 0.010 1.821 18749
71 1 12 "Average Difference" CB 60 1.409 -0.259 1.397 18749
72 1 12 "Average Difference" HN 59 0.707 0.209 0.681 18749
73 1 13 "Average Difference" N 60 3.624 -1.131 3.473 18749
74 1 13 "Average Difference" HA 56 0.323 0.137 0.295 18749
75 1 13 "Average Difference" C 59 1.413 -0.052 1.424 18749
76 1 13 "Average Difference" CA 65 1.758 0.011 1.772 18749
77 1 13 "Average Difference" CB 60 1.644 -0.212 1.644 18749
78 1 13 "Average Difference" HN 59 0.736 0.250 0.698 18749
79 1 14 "Average Difference" N 60 3.984 -0.903 3.913 18749
80 1 14 "Average Difference" HA 56 0.280 0.129 0.251 18749
81 1 14 "Average Difference" C 59 1.463 -0.084 1.473 18749
82 1 14 "Average Difference" CA 65 1.689 0.122 1.698 18749
83 1 14 "Average Difference" CB 60 1.615 -0.496 1.550 18749
84 1 14 "Average Difference" HN 59 0.689 0.218 0.660 18749
85 1 15 "Average Difference" N 60 4.090 -0.645 4.073 18749
86 1 15 "Average Difference" HA 56 0.280 0.115 0.258 18749
87 1 15 "Average Difference" C 59 1.494 -0.086 1.504 18749
88 1 15 "Average Difference" CA 65 1.730 0.211 1.730 18749
89 1 15 "Average Difference" CB 60 1.648 -0.336 1.627 18749
90 1 15 "Average Difference" HN 59 0.726 0.220 0.698 18749
91 1 16 "Average Difference" N 60 3.767 -0.853 3.700 18749
92 1 16 "Average Difference" HA 56 0.285 0.112 0.264 18749
93 1 16 "Average Difference" C 59 1.342 0.005 1.354 18749
94 1 16 "Average Difference" CA 65 1.741 0.038 1.754 18749
95 1 16 "Average Difference" CB 60 1.480 -0.376 1.444 18749
96 1 16 "Average Difference" HN 59 0.690 0.185 0.671 18749
97 1 17 "Average Difference" N 60 4.643 -0.867 4.600 18749
98 1 17 "Average Difference" HA 56 0.273 0.099 0.257 18749
99 1 17 "Average Difference" C 59 1.552 -0.068 1.564 18749
100 1 17 "Average Difference" CA 65 1.615 0.012 1.628 18749
101 1 17 "Average Difference" CB 60 1.575 -0.367 1.545 18749
102 1 17 "Average Difference" HN 59 0.730 0.277 0.681 18749
103 1 18 "Average Difference" N 60 3.832 -0.244 3.856 18749
104 1 18 "Average Difference" HA 56 0.236 0.104 0.214 18749
105 1 18 "Average Difference" C 59 1.441 -0.098 1.450 18749
106 1 18 "Average Difference" CA 65 1.790 0.083 1.802 18749
107 1 18 "Average Difference" CB 60 1.604 -0.455 1.552 18749
108 1 18 "Average Difference" HN 59 0.655 0.241 0.614 18749
109 1 19 "Average Difference" N 60 3.708 -0.903 3.626 18749
110 1 19 "Average Difference" HA 56 0.274 0.081 0.264 18749
111 1 19 "Average Difference" C 59 1.354 -0.165 1.355 18749
112 1 19 "Average Difference" CA 65 1.569 -0.019 1.581 18749
113 1 19 "Average Difference" CB 60 1.687 -0.431 1.645 18749
114 1 19 "Average Difference" HN 59 0.702 0.254 0.660 18749
115 1 20 "Average Difference" N 60 3.920 -1.247 3.748 18749
116 1 20 "Average Difference" HA 56 0.276 0.123 0.249 18749
117 1 20 "Average Difference" C 59 1.454 -0.136 1.460 18749
118 1 20 "Average Difference" CA 65 1.624 -0.039 1.636 18749
119 1 20 "Average Difference" CB 60 1.730 -0.322 1.715 18749
120 1 20 "Average Difference" HN 59 0.734 0.211 0.710 18749
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 18749
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.490 -0.099 18749
2 1 . 1 1 4 4 PRO C C 4 176.097 176.097 176.094 0.003 18749
3 1 . 1 1 4 4 PRO CA C 4 62.965 62.965 63.022 -0.057 18749
4 1 . 1 1 4 4 PRO CB C 4 31.902 31.902 32.298 -0.395 18749
5 1 . 1 1 5 5 VAL N N 5 121.993 121.993 120.891 1.102 18749
6 1 . 1 1 5 5 VAL HA H 5 4.341 4.341 4.310 0.031 18749
7 1 . 1 1 5 5 VAL CA C 5 59.763 59.763 60.231 -0.468 18749
8 1 . 1 1 5 5 VAL CB C 5 32.567 32.567 32.125 0.442 18749
9 1 . 1 1 5 5 VAL H H 5 8.149 8.149 8.164 -0.015 18749
10 1 . 1 1 6 6 PRO HA H 6 4.256 4.256 4.245 0.011 18749
11 1 . 1 1 6 6 PRO C C 6 176.167 176.167 176.449 -0.282 18749
12 1 . 1 1 6 6 PRO CA C 6 63.138 63.138 64.108 -0.970 18749
13 1 . 1 1 6 6 PRO CB C 6 31.877 31.877 31.902 -0.025 18749
14 1 . 1 1 7 7 TYR N N 7 121.107 121.107 118.510 2.597 18749
15 1 . 1 1 7 7 TYR HA H 7 4.443 4.443 4.539 -0.096 18749
16 1 . 1 1 7 7 TYR CA C 7 55.602 55.602 56.046 -0.444 18749
17 1 . 1 1 7 7 TYR CB C 7 38.212 38.212 37.980 0.233 18749
18 1 . 1 1 7 7 TYR H H 7 7.945 7.945 7.744 0.201 18749
19 1 . 1 1 8 8 PRO HA H 8 4.288 4.288 4.504 -0.216 18749
20 1 . 1 1 8 8 PRO C C 8 176.122 176.122 175.667 0.455 18749
21 1 . 1 1 8 8 PRO CA C 8 62.983 62.983 63.016 -0.033 18749
22 1 . 1 1 8 8 PRO CB C 8 31.913 31.913 32.712 -0.799 18749
23 1 . 1 1 9 9 ASP N N 9 122.332 122.332 118.301 4.031 18749
24 1 . 1 1 9 9 ASP HA H 9 4.466 4.466 4.687 -0.221 18749
25 1 . 1 1 9 9 ASP CA C 9 52.317 52.317 53.067 -0.750 18749
26 1 . 1 1 9 9 ASP CB C 9 41.371 41.371 40.822 0.549 18749
27 1 . 1 1 9 9 ASP H H 9 8.204 8.204 8.326 -0.122 18749
28 1 . 1 1 10 10 PRO HA H 10 4.309 4.309 4.367 -0.058 18749
29 1 . 1 1 10 10 PRO C C 10 177.003 177.003 177.424 -0.421 18749
30 1 . 1 1 10 10 PRO CA C 10 63.635 63.635 64.127 -0.492 18749
31 1 . 1 1 10 10 PRO CB C 10 32.207 32.207 31.894 0.313 18749
32 1 . 1 1 11 11 LEU N N 11 120.566 120.566 117.124 3.442 18749
33 1 . 1 1 11 11 LEU HA H 11 4.221 4.221 4.161 0.060 18749
34 1 . 1 1 11 11 LEU C C 11 177.277 177.277 177.088 0.189 18749
35 1 . 1 1 11 11 LEU CA C 11 54.938 54.938 55.792 -0.854 18749
36 1 . 1 1 11 11 LEU CB C 11 41.908 41.908 42.005 -0.097 18749
37 1 . 1 1 11 11 LEU H H 11 8.295 8.295 7.644 0.651 18749
38 1 . 1 1 12 12 GLU N N 12 122.415 122.415 115.677 6.738 18749
39 1 . 1 1 12 12 GLU HA H 12 4.384 4.384 4.186 0.198 18749
40 1 . 1 1 12 12 GLU CA C 12 54.384 54.384 55.951 -1.567 18749
41 1 . 1 1 12 12 GLU CB C 12 29.988 29.988 28.138 1.850 18749
42 1 . 1 1 12 12 GLU H H 12 7.857 7.857 7.909 -0.052 18749
43 1 . 1 1 13 13 PRO HA H 13 4.249 4.249 4.373 -0.124 18749
44 1 . 1 1 13 13 PRO C C 13 177.132 177.132 177.367 -0.235 18749
45 1 . 1 1 13 13 PRO CA C 13 63.458 63.458 63.559 -0.101 18749
46 1 . 1 1 13 13 PRO CB C 13 31.862 31.862 32.087 -0.225 18749
47 1 . 1 1 14 14 ARG N N 14 121.214 121.214 120.975 0.239 18749
48 1 . 1 1 14 14 ARG HA H 14 4.159 4.159 4.202 -0.043 18749
49 1 . 1 1 14 14 ARG CA C 14 56.162 56.162 57.010 -0.848 18749
50 1 . 1 1 14 14 ARG CB C 14 30.632 30.632 30.452 0.180 18749
51 1 . 1 1 14 14 ARG H H 14 8.337 8.337 8.413 -0.076 18749
52 1 . 1 1 15 15 GLY N N 15 109.686 109.686 106.866 2.820 18749
53 1 . 1 1 15 15 GLY C C 15 174.130 174.130 174.188 -0.058 18749
54 1 . 1 1 15 15 GLY CA C 15 45.312 45.312 44.829 0.483 18749
55 1 . 1 1 15 15 GLY H H 15 8.280 8.280 7.979 0.301 18749
56 1 . 1 1 16 16 GLY N N 16 108.011 108.011 108.060 -0.049 18749
57 1 . 1 1 16 16 GLY C C 16 172.056 172.056 174.826 -2.770 18749
58 1 . 1 1 16 16 GLY CA C 16 44.895 44.895 45.057 -0.162 18749
59 1 . 1 1 16 16 GLY H H 16 7.764 7.764 8.260 -0.496 18749
60 1 . 1 1 17 17 LYS N N 17 117.049 117.049 121.746 -4.697 18749
61 1 . 1 1 17 17 LYS HA H 17 4.135 4.135 4.066 0.069 18749
62 1 . 1 1 17 17 LYS C C 17 175.259 175.259 177.237 -1.978 18749
63 1 . 1 1 17 17 LYS CA C 17 53.914 53.914 58.426 -4.513 18749
64 1 . 1 1 17 17 LYS CB C 17 35.219 35.219 32.360 2.859 18749
65 1 . 1 1 17 17 LYS H H 17 7.347 7.347 8.514 -1.167 18749
66 1 . 1 1 18 18 HIS N N 18 120.426 120.426 116.767 3.659 18749
67 1 . 1 1 18 18 HIS C C 18 175.419 175.419 175.089 0.330 18749
68 1 . 1 1 18 18 HIS CA C 18 57.086 57.086 57.991 -0.905 18749
69 1 . 1 1 18 18 HIS CB C 18 30.492 30.492 30.313 0.179 18749
70 1 . 1 1 19 19 ILE N N 19 126.193 126.193 116.995 9.198 18749
71 1 . 1 1 19 19 ILE HA H 19 4.454 4.454 4.444 0.010 18749
72 1 . 1 1 19 19 ILE C C 19 175.138 175.138 175.136 0.002 18749
73 1 . 1 1 19 19 ILE CA C 19 59.189 59.189 59.520 -0.331 18749
74 1 . 1 1 19 19 ILE CB C 19 41.816 41.816 38.669 3.147 18749
75 1 . 1 1 19 19 ILE H H 19 8.180 8.180 7.437 0.743 18749
76 1 . 1 1 20 20 CYS N N 20 127.805 127.805 127.123 0.682 18749
77 1 . 1 1 20 20 CYS HA H 20 4.915 4.915 4.532 0.383 18749
78 1 . 1 1 20 20 CYS C C 20 174.996 174.996 176.125 -1.129 18749
79 1 . 1 1 20 20 CYS CA C 20 57.370 57.370 58.656 -1.286 18749
80 1 . 1 1 20 20 CYS CB C 20 32.008 32.008 29.380 2.628 18749
81 1 . 1 1 20 20 CYS H H 20 8.382 8.382 8.781 -0.399 18749
82 1 . 1 1 21 21 ALA N N 21 135.406 135.406 129.583 5.823 18749
83 1 . 1 1 21 21 ALA HA H 21 4.162 4.162 4.210 -0.047 18749
84 1 . 1 1 21 21 ALA C C 21 177.885 177.885 177.528 0.357 18749
85 1 . 1 1 21 21 ALA CA C 21 54.492 54.492 54.337 0.155 18749
86 1 . 1 1 21 21 ALA CB C 21 19.625 19.625 18.836 0.789 18749
87 1 . 1 1 21 21 ALA H H 21 8.742 8.742 8.789 -0.047 18749
88 1 . 1 1 22 22 ILE N N 22 119.063 119.063 116.598 2.465 18749
89 1 . 1 1 22 22 ILE HA H 22 3.861 3.861 4.157 -0.296 18749
90 1 . 1 1 22 22 ILE C C 22 176.914 176.914 177.109 -0.195 18749
91 1 . 1 1 22 22 ILE CA C 22 63.218 63.218 62.459 0.759 18749
92 1 . 1 1 22 22 ILE CB C 22 37.371 37.371 39.230 -1.859 18749
93 1 . 1 1 22 22 ILE H H 22 8.150 8.150 7.516 0.634 18749
94 1 . 1 1 23 23 CYS N N 23 114.362 114.362 117.831 -3.469 18749
95 1 . 1 1 23 23 CYS C C 23 176.216 176.216 176.017 0.199 18749
96 1 . 1 1 23 23 CYS CA C 23 57.878 57.878 59.461 -1.583 18749
97 1 . 1 1 23 23 CYS CB C 23 30.456 30.456 26.962 3.494 18749
98 1 . 1 1 23 23 CYS H H 23 7.238 7.238 8.253 -1.015 18749
99 1 . 1 1 24 24 GLY N N 24 111.898 111.898 107.840 4.058 18749
100 1 . 1 1 24 24 GLY C C 24 173.367 173.367 174.148 -0.781 18749
101 1 . 1 1 24 24 GLY CA C 24 46.222 46.222 46.514 -0.292 18749
102 1 . 1 1 24 24 GLY H H 24 7.566 7.566 8.507 -0.941 18749
103 1 . 1 1 25 25 ASN N N 25 117.684 117.684 115.462 2.222 18749
104 1 . 1 1 25 25 ASN HA H 25 4.763 4.763 5.031 -0.268 18749
105 1 . 1 1 25 25 ASN C C 25 174.631 174.631 174.524 0.107 18749
106 1 . 1 1 25 25 ASN CA C 25 51.901 51.901 52.934 -1.033 18749
107 1 . 1 1 25 25 ASN CB C 25 40.666 40.666 39.739 0.927 18749
108 1 . 1 1 25 25 ASN H H 25 7.781 7.781 8.485 -0.704 18749
109 1 . 1 1 26 26 ASN N N 26 118.294 118.294 117.927 0.367 18749
110 1 . 1 1 26 26 ASN HA H 26 4.570 4.570 4.789 -0.218 18749
111 1 . 1 1 26 26 ASN C C 26 175.502 175.502 175.512 -0.010 18749
112 1 . 1 1 26 26 ASN CA C 26 53.980 53.980 54.120 -0.140 18749
113 1 . 1 1 26 26 ASN CB C 26 38.066 38.066 38.574 -0.508 18749
114 1 . 1 1 26 26 ASN H H 26 8.562 8.562 8.406 0.156 18749
115 1 . 1 1 27 27 ALA N N 27 126.538 126.538 122.528 4.010 18749
116 1 . 1 1 27 27 ALA C C 27 177.920 177.920 176.671 1.249 18749
117 1 . 1 1 27 27 ALA CA C 27 53.567 53.567 53.130 0.437 18749
118 1 . 1 1 27 27 ALA CB C 27 18.852 18.852 17.507 1.345 18749
119 1 . 1 1 27 27 ALA H H 27 8.217 8.217 8.325 -0.107 18749
120 1 . 1 1 28 28 GLU N N 28 112.911 112.911 117.937 -5.026 18749
121 1 . 1 1 28 28 GLU HA H 28 4.099 4.099 4.208 -0.109 18749
122 1 . 1 1 28 28 GLU C C 28 177.423 177.423 176.009 1.414 18749
123 1 . 1 1 28 28 GLU CA C 28 57.783 57.783 57.220 0.563 18749
124 1 . 1 1 28 28 GLU CB C 28 30.926 30.926 30.660 0.266 18749
125 1 . 1 1 28 28 GLU H H 28 8.608 8.608 8.421 0.187 18749
126 1 . 1 1 29 29 ASP N N 29 116.209 116.209 119.091 -2.882 18749
127 1 . 1 1 29 29 ASP HA H 29 4.434 4.434 4.443 -0.009 18749
128 1 . 1 1 29 29 ASP C C 29 174.486 174.486 175.374 -0.888 18749
129 1 . 1 1 29 29 ASP CA C 29 55.349 55.349 53.695 1.654 18749
130 1 . 1 1 29 29 ASP CB C 29 42.596 42.596 41.622 0.974 18749
131 1 . 1 1 29 29 ASP H H 29 7.272 7.272 7.832 -0.560 18749
132 1 . 1 1 30 30 TYR N N 30 116.344 116.344 119.886 -3.542 18749
133 1 . 1 1 30 30 TYR CA C 30 57.018 57.018 58.374 -1.356 18749
134 1 . 1 1 30 30 TYR CB C 30 43.459 43.459 39.291 4.168 18749
135 1 . 1 1 30 30 TYR H H 30 7.281 7.281 8.153 -0.872 18749
136 1 . 1 1 31 31 LYS C C 31 177.018 177.018 175.967 1.051 18749
137 1 . 1 1 32 32 HIS N N 32 116.170 116.170 118.063 -1.893 18749
138 1 . 1 1 32 32 HIS HA H 32 3.802 3.802 4.579 -0.777 18749
139 1 . 1 1 32 32 HIS C C 32 173.979 173.979 176.948 -2.969 18749
140 1 . 1 1 32 32 HIS CA C 32 55.136 55.136 58.933 -3.797 18749
141 1 . 1 1 32 32 HIS CB C 32 33.128 33.128 30.560 2.568 18749
142 1 . 1 1 32 32 HIS H H 32 7.691 7.691 8.352 -0.661 18749
143 1 . 1 1 33 33 THR N N 33 108.605 108.605 110.729 -2.124 18749
144 1 . 1 1 33 33 THR HA H 33 4.424 4.424 4.290 0.134 18749
145 1 . 1 1 33 33 THR C C 33 175.107 175.107 175.164 -0.057 18749
146 1 . 1 1 33 33 THR CA C 33 60.218 60.218 63.592 -3.374 18749
147 1 . 1 1 33 33 THR CB C 33 69.476 69.476 68.946 0.530 18749
148 1 . 1 1 33 33 THR H H 33 8.051 8.051 8.056 -0.005 18749
149 1 . 1 1 34 34 ASP N N 34 121.404 121.404 120.614 0.790 18749
150 1 . 1 1 34 34 ASP HA H 34 4.590 4.590 4.514 0.076 18749
151 1 . 1 1 34 34 ASP C C 34 175.334 175.334 176.771 -1.437 18749
152 1 . 1 1 34 34 ASP CA C 34 53.564 53.564 56.306 -2.742 18749
153 1 . 1 1 34 34 ASP CB C 34 40.420 40.420 40.601 -0.181 18749
154 1 . 1 1 34 34 ASP H H 34 7.973 7.973 8.293 -0.320 18749
155 1 . 1 1 35 35 MET N N 35 119.898 119.898 117.587 2.312 18749
156 1 . 1 1 35 35 MET HA H 35 4.398 4.398 4.353 0.045 18749
157 1 . 1 1 35 35 MET C C 35 174.846 174.846 176.289 -1.443 18749
158 1 . 1 1 35 35 MET CA C 35 55.631 55.631 56.598 -0.967 18749
159 1 . 1 1 35 35 MET CB C 35 33.382 33.382 33.340 0.042 18749
160 1 . 1 1 35 35 MET H H 35 7.585 7.585 7.517 0.068 18749
161 1 . 1 1 36 36 ASP N N 36 123.631 123.631 120.033 3.598 18749
162 1 . 1 1 36 36 ASP HA H 36 4.486 4.486 4.682 -0.196 18749
163 1 . 1 1 36 36 ASP C C 36 176.456 176.456 175.419 1.037 18749
164 1 . 1 1 36 36 ASP CA C 36 54.279 54.279 53.989 0.290 18749
165 1 . 1 1 36 36 ASP CB C 36 41.156 41.156 41.245 -0.089 18749
166 1 . 1 1 36 36 ASP H H 36 8.360 8.360 8.070 0.290 18749
167 1 . 1 1 37 37 LEU N N 37 123.812 123.812 123.585 0.227 18749
168 1 . 1 1 37 37 LEU HA H 37 4.303 4.303 4.496 -0.193 18749
169 1 . 1 1 37 37 LEU C C 37 177.554 177.554 177.468 0.086 18749
170 1 . 1 1 37 37 LEU CA C 37 55.317 55.317 54.920 0.397 18749
171 1 . 1 1 37 37 LEU CB C 37 41.945 41.945 42.545 -0.600 18749
172 1 . 1 1 37 37 LEU H H 37 8.224 8.224 8.260 -0.036 18749
173 1 . 1 1 38 38 THR N N 38 113.723 113.723 114.921 -1.198 18749
174 1 . 1 1 38 38 THR HA H 38 4.153 4.153 4.242 -0.089 18749
175 1 . 1 1 38 38 THR C C 38 174.786 174.786 174.409 0.377 18749
176 1 . 1 1 38 38 THR CA C 38 62.673 62.673 62.511 0.162 18749
177 1 . 1 1 38 38 THR CB C 38 69.792 69.792 69.578 0.214 18749
178 1 . 1 1 38 38 THR H H 38 8.321 8.321 8.148 0.173 18749
179 1 . 1 1 39 39 TYR N N 39 121.098 121.098 122.252 -1.154 18749
180 1 . 1 1 39 39 TYR C C 39 175.992 175.992 175.932 0.060 18749
181 1 . 1 1 39 39 TYR CA C 39 58.083 58.083 58.421 -0.338 18749
182 1 . 1 1 39 39 TYR CB C 39 38.309 38.309 38.917 -0.608 18749
183 1 . 1 1 39 39 TYR H H 39 7.920 7.920 8.308 -0.388 18749
184 1 . 1 1 40 40 THR N N 40 113.380 113.380 115.942 -2.562 18749
185 1 . 1 1 40 40 THR C C 40 174.356 174.356 174.096 0.260 18749
186 1 . 1 1 40 40 THR CA C 40 61.801 61.801 62.506 -0.705 18749
187 1 . 1 1 40 40 THR CB C 40 69.965 69.965 69.679 0.286 18749
188 1 . 1 1 40 40 THR H H 40 7.885 7.885 8.020 -0.135 18749
189 1 . 1 1 41 41 ASP N N 41 121.537 121.537 123.425 -1.888 18749
190 1 . 1 1 41 41 ASP HA H 41 4.468 4.468 4.660 -0.192 18749
191 1 . 1 1 41 41 ASP C C 41 176.338 176.338 175.964 0.374 18749
192 1 . 1 1 41 41 ASP CA C 41 54.674 54.674 53.919 0.755 18749
193 1 . 1 1 41 41 ASP CB C 41 40.996 40.996 41.252 -0.256 18749
194 1 . 1 1 41 41 ASP H H 41 8.184 8.184 8.337 -0.153 18749
195 1 . 1 1 42 42 ARG N N 42 119.745 119.745 123.162 -3.417 18749
196 1 . 1 1 42 42 ARG HA H 42 4.171 4.171 4.219 -0.048 18749
197 1 . 1 1 42 42 ARG C C 42 175.906 175.906 175.769 0.137 18749
198 1 . 1 1 42 42 ARG CA C 42 56.644 56.644 56.449 0.195 18749
199 1 . 1 1 42 42 ARG CB C 42 30.788 30.788 30.893 -0.105 18749
200 1 . 1 1 42 42 ARG H H 42 7.997 7.997 8.185 -0.188 18749
201 1 . 1 1 43 43 ASP N N 43 119.314 119.314 121.427 -2.113 18749
202 1 . 1 1 43 43 ASP HA H 43 4.503 4.503 4.567 -0.064 18749
203 1 . 1 1 43 43 ASP C C 43 175.599 175.599 175.946 -0.347 18749
204 1 . 1 1 43 43 ASP CA C 43 54.368 54.368 54.220 0.148 18749
205 1 . 1 1 43 43 ASP CB C 43 41.071 41.071 41.268 -0.197 18749
206 1 . 1 1 43 43 ASP H H 43 8.181 8.181 8.283 -0.102 18749
207 1 . 1 1 44 44 TYR N N 44 120.178 120.178 122.709 -2.531 18749
208 1 . 1 1 44 44 TYR HA H 44 4.324 4.324 4.368 -0.044 18749
209 1 . 1 1 44 44 TYR C C 44 175.321 175.321 176.416 -1.095 18749
210 1 . 1 1 44 44 TYR CA C 44 58.553 58.553 59.181 -0.628 18749
211 1 . 1 1 44 44 TYR CB C 44 38.614 38.614 38.959 -0.345 18749
212 1 . 1 1 44 44 TYR H H 44 7.806 7.806 8.421 -0.615 18749
213 1 . 1 1 45 45 LYS N N 45 123.353 123.353 122.484 0.869 18749
214 1 . 1 1 45 45 LYS CA C 45 55.745 55.745 56.435 -0.690 18749
215 1 . 1 1 45 45 LYS CB C 45 33.789 33.789 33.159 0.630 18749
216 1 . 1 1 45 45 LYS H H 45 7.731 7.731 8.260 -0.529 18749
217 1 . 1 1 47 47 CYS N N 47 125.060 125.060 121.446 3.614 18749
218 1 . 1 1 47 47 CYS H H 47 8.811 8.811 8.395 0.416 18749
219 1 . 1 1 48 48 GLU C C 48 178.473 178.473 175.438 3.035 18749
220 1 . 1 1 49 49 SER N N 49 120.359 120.359 117.543 2.816 18749
221 1 . 1 1 49 49 SER C C 49 172.276 172.276 173.168 -0.892 18749
222 1 . 1 1 49 49 SER CA C 49 61.125 61.125 58.708 2.417 18749
223 1 . 1 1 49 49 SER CB C 49 63.224 63.224 64.214 -0.990 18749
224 1 . 1 1 49 49 SER H H 49 8.737 8.737 8.351 0.386 18749
225 1 . 1 1 50 50 TYR N N 50 110.556 110.556 120.073 -9.517 18749
226 1 . 1 1 50 50 TYR C C 50 175.624 175.624 174.812 0.812 18749
227 1 . 1 1 50 50 TYR CA C 50 59.205 59.205 58.159 1.046 18749
228 1 . 1 1 50 50 TYR CB C 50 38.197 38.197 40.586 -2.389 18749
229 1 . 1 1 50 50 TYR H H 50 6.326 6.326 8.125 -1.799 18749
230 1 . 1 1 51 51 HIS N N 51 119.871 119.871 118.865 1.006 18749
231 1 . 1 1 51 51 HIS HA H 51 3.757 3.757 4.584 -0.827 18749
232 1 . 1 1 51 51 HIS C C 51 176.588 176.588 175.284 1.304 18749
233 1 . 1 1 51 51 HIS CA C 51 59.323 59.323 56.624 2.699 18749
234 1 . 1 1 51 51 HIS CB C 51 27.514 27.514 29.928 -2.414 18749
235 1 . 1 1 51 51 HIS H H 51 5.890 5.890 8.487 -2.597 18749
236 1 . 1 1 52 52 LYS N N 52 122.505 122.505 120.633 1.872 18749
237 1 . 1 1 52 52 LYS C C 52 178.958 178.958 176.698 2.260 18749
238 1 . 1 1 52 52 LYS CA C 52 58.922 58.922 57.668 1.254 18749
239 1 . 1 1 52 52 LYS CB C 52 31.291 31.291 32.021 -0.730 18749
240 1 . 1 1 52 52 LYS H H 52 7.660 7.660 8.399 -0.739 18749
241 1 . 1 1 53 53 CYS N N 53 117.268 117.268 117.629 -0.361 18749
242 1 . 1 1 53 53 CYS C C 53 179.241 179.241 175.125 4.116 18749
243 1 . 1 1 53 53 CYS CA C 53 64.802 64.802 59.135 5.667 18749
244 1 . 1 1 53 53 CYS CB C 53 30.906 30.906 29.109 1.797 18749
245 1 . 1 1 53 53 CYS H H 53 8.256 8.256 8.165 0.091 18749
246 1 . 1 1 54 54 SER N N 54 111.716 111.716 117.663 -5.947 18749
247 1 . 1 1 54 54 SER HA H 54 3.839 3.839 4.369 -0.530 18749
248 1 . 1 1 54 54 SER C C 54 175.922 175.922 174.257 1.664 18749
249 1 . 1 1 54 54 SER CA C 54 60.263 60.263 59.326 0.937 18749
250 1 . 1 1 54 54 SER CB C 54 64.120 64.120 62.997 1.123 18749
251 1 . 1 1 54 54 SER H H 54 7.671 7.671 8.509 -0.838 18749
252 1 . 1 1 55 55 ASP N N 55 119.056 119.056 120.839 -1.783 18749
253 1 . 1 1 55 55 ASP HA H 55 4.295 4.295 4.420 -0.125 18749
254 1 . 1 1 55 55 ASP C C 55 178.101 178.101 176.785 1.316 18749
255 1 . 1 1 55 55 ASP CA C 55 57.387 57.387 55.755 1.632 18749
256 1 . 1 1 55 55 ASP CB C 55 40.315 40.315 40.455 -0.140 18749
257 1 . 1 1 55 55 ASP H H 55 7.438 7.438 8.324 -0.886 18749
258 1 . 1 1 56 56 LEU N N 56 118.324 118.324 117.202 1.122 18749
259 1 . 1 1 56 56 LEU HA H 56 4.168 4.168 4.207 -0.039 18749
260 1 . 1 1 56 56 LEU C C 56 176.250 176.250 176.839 -0.589 18749
261 1 . 1 1 56 56 LEU CA C 56 55.333 55.333 56.026 -0.693 18749
262 1 . 1 1 56 56 LEU CB C 56 43.173 43.173 41.955 1.218 18749
263 1 . 1 1 56 56 LEU H H 56 7.565 7.565 7.705 -0.140 18749
264 1 . 1 1 57 57 CYS N N 57 124.095 124.095 119.227 4.868 18749
265 1 . 1 1 57 57 CYS HA H 57 4.255 4.255 4.655 -0.400 18749
266 1 . 1 1 57 57 CYS C C 57 177.371 177.371 175.451 1.920 18749
267 1 . 1 1 57 57 CYS CA C 57 59.255 59.255 58.048 1.207 18749
268 1 . 1 1 57 57 CYS CB C 57 30.128 30.128 27.524 2.604 18749
269 1 . 1 1 57 57 CYS H H 57 7.265 7.265 7.900 -0.635 18749
270 1 . 1 1 58 58 GLN N N 58 131.839 131.839 128.055 3.784 18749
271 1 . 1 1 58 58 GLN HA H 58 3.923 3.923 4.099 -0.176 18749
272 1 . 1 1 58 58 GLN C C 58 178.435 178.435 177.506 0.929 18749
273 1 . 1 1 58 58 GLN CA C 58 59.288 59.288 58.368 0.920 18749
274 1 . 1 1 58 58 GLN CB C 58 28.195 28.195 28.546 -0.351 18749
275 1 . 1 1 58 58 GLN H H 58 9.451 9.451 8.965 0.486 18749
276 1 . 1 1 59 59 TYR N N 59 124.026 124.026 120.150 3.876 18749
277 1 . 1 1 59 59 TYR HA H 59 4.429 4.429 4.563 -0.134 18749
278 1 . 1 1 59 59 TYR C C 59 178.722 178.722 177.088 1.634 18749
279 1 . 1 1 59 59 TYR CA C 59 60.295 60.295 61.253 -0.958 18749
280 1 . 1 1 59 59 TYR CB C 59 38.591 38.591 38.667 -0.076 18749
281 1 . 1 1 59 59 TYR H H 59 8.699 8.699 8.190 0.509 18749
282 1 . 1 1 60 60 CYS N N 60 122.268 122.268 117.242 5.026 18749
283 1 . 1 1 60 60 CYS HA H 60 4.317 4.317 4.644 -0.327 18749
284 1 . 1 1 60 60 CYS C C 60 176.011 176.011 176.708 -0.697 18749
285 1 . 1 1 60 60 CYS CA C 60 64.499 64.499 61.202 3.297 18749
286 1 . 1 1 60 60 CYS CB C 60 30.203 30.203 25.953 4.250 18749
287 1 . 1 1 60 60 CYS H H 60 8.432 8.432 7.937 0.495 18749
288 1 . 1 1 61 61 ARG N N 61 116.449 116.449 118.683 -2.234 18749
289 1 . 1 1 61 61 ARG HA H 61 3.895 3.895 3.977 -0.082 18749
290 1 . 1 1 61 61 ARG C C 61 176.965 176.965 177.732 -0.767 18749
291 1 . 1 1 61 61 ARG CA C 61 58.336 58.336 58.988 -0.652 18749
292 1 . 1 1 61 61 ARG CB C 61 29.771 29.771 29.988 -0.217 18749
293 1 . 1 1 61 61 ARG H H 61 7.265 7.265 7.643 -0.378 18749
294 1 . 1 1 62 62 TYR N N 62 117.341 117.341 116.056 1.285 18749
295 1 . 1 1 62 62 TYR HA H 62 4.469 4.469 4.402 0.067 18749
296 1 . 1 1 62 62 TYR C C 62 175.562 175.562 176.900 -1.338 18749
297 1 . 1 1 62 62 TYR CA C 62 58.566 58.566 59.888 -1.322 18749
298 1 . 1 1 62 62 TYR CB C 62 39.182 39.182 39.668 -0.486 18749
299 1 . 1 1 62 62 TYR H H 62 7.259 7.259 7.540 -0.281 18749
300 1 . 1 1 63 63 GLN N N 63 121.663 121.663 117.782 3.881 18749
301 1 . 1 1 63 63 GLN HA H 63 4.210 4.210 4.569 -0.359 18749
302 1 . 1 1 63 63 GLN C C 63 173.076 173.076 174.967 -1.891 18749
303 1 . 1 1 63 63 GLN CA C 63 54.492 54.492 54.762 -0.270 18749
304 1 . 1 1 63 63 GLN CB C 63 29.401 29.401 31.575 -2.174 18749
305 1 . 1 1 63 63 GLN H H 63 7.856 7.856 7.919 -0.063 18749
306 1 . 1 1 64 64 LYS N N 64 127.668 127.668 125.510 2.158 18749
307 1 . 1 1 64 64 LYS HA H 64 4.301 4.301 4.144 0.157 18749
308 1 . 1 1 64 64 LYS C C 64 177.301 177.301 175.999 1.302 18749
309 1 . 1 1 64 64 LYS CA C 64 58.182 58.182 57.318 0.864 18749
310 1 . 1 1 64 64 LYS CB C 64 32.514 32.514 32.441 0.073 18749
311 1 . 1 1 64 64 LYS H H 64 8.204 8.204 8.672 -0.468 18749
312 1 . 1 1 65 65 ASP N N 65 131.040 131.040 123.867 7.173 18749
313 1 . 1 1 65 65 ASP C C 65 174.529 174.529 177.057 -2.528 18749
314 1 . 1 1 65 65 ASP CA C 65 53.232 53.232 53.917 -0.685 18749
315 1 . 1 1 65 65 ASP CB C 65 41.222 41.222 41.148 0.074 18749
316 1 . 1 1 65 65 ASP H H 65 8.677 8.677 8.478 0.199 18749
317 1 . 1 1 66 66 LEU N N 66 125.688 125.688 121.055 4.634 18749
318 1 . 1 1 66 66 LEU HA H 66 4.088 4.088 4.041 0.047 18749
319 1 . 1 1 66 66 LEU C C 66 178.676 178.676 177.856 0.820 18749
320 1 . 1 1 66 66 LEU CA C 66 57.836 57.836 56.306 1.530 18749
321 1 . 1 1 66 66 LEU CB C 66 43.196 43.196 41.486 1.709 18749
322 1 . 1 1 66 66 LEU H H 66 8.733 8.733 8.035 0.698 18749
323 1 . 1 1 67 67 ALA N N 67 119.916 119.916 121.876 -1.960 18749
324 1 . 1 1 67 67 ALA C C 67 180.513 180.513 178.729 1.784 18749
325 1 . 1 1 67 67 ALA CA C 67 55.151 55.151 54.381 0.770 18749
326 1 . 1 1 67 67 ALA CB C 67 18.118 18.118 18.541 -0.423 18749
327 1 . 1 1 67 67 ALA H H 67 8.076 8.076 7.789 0.287 18749
328 1 . 1 1 68 68 ILE N N 68 119.735 119.735 115.186 4.549 18749
329 1 . 1 1 68 68 ILE HA H 68 3.659 3.659 3.715 -0.056 18749
330 1 . 1 1 68 68 ILE C C 68 177.647 177.647 176.711 0.936 18749
331 1 . 1 1 68 68 ILE CA C 68 63.267 63.267 63.672 -0.405 18749
332 1 . 1 1 68 68 ILE CB C 68 37.338 37.338 37.508 -0.170 18749
333 1 . 1 1 68 68 ILE H H 68 7.342 7.342 7.197 0.145 18749
334 1 . 1 1 69 69 HIS N N 69 119.542 119.542 120.061 -0.519 18749
335 1 . 1 1 69 69 HIS HA H 69 4.303 4.303 4.287 0.016 18749
336 1 . 1 1 69 69 HIS CA C 69 59.224 59.224 57.138 2.086 18749
337 1 . 1 1 69 69 HIS CB C 69 28.569 28.569 30.295 -1.726 18749
338 1 . 1 1 69 69 HIS H H 69 6.608 6.608 8.091 -1.483 18749
339 1 . 1 1 84 84 GLY C C 84 174.391 174.391 174.390 0.001 18749
340 1 . 1 1 84 84 GLY CA C 84 45.472 45.472 45.303 0.169 18749
341 1 . 1 1 85 85 THR N N 85 112.734 112.734 113.921 -1.187 18749
342 1 . 1 1 85 85 THR C C 85 175.056 175.056 175.612 -0.556 18749
343 1 . 1 1 85 85 THR CA C 85 61.980 61.980 62.391 -0.411 18749
344 1 . 1 1 85 85 THR CB C 85 69.868 69.868 69.577 0.291 18749
345 1 . 1 1 85 85 THR H H 85 8.012 8.012 7.875 0.137 18749
346 1 . 1 1 86 86 GLY N N 86 111.173 111.173 110.249 0.924 18749
347 1 . 1 1 86 86 GLY C C 86 172.909 172.909 173.831 -0.922 18749
348 1 . 1 1 86 86 GLY CA C 86 45.268 45.268 45.269 -0.001 18749
349 1 . 1 1 86 86 GLY H H 86 8.276 8.276 8.430 -0.154 18749
stop_
save_