data_25789
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25789
_Entry.PDB_ID 2N71
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 25789
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 GLU N N 2 120.587 120.587 117.796 2.791 25789
2 1 1 . 1 1 2 2 GLU HA H 2 4.778 4.778 3.925 0.853 25789
3 1 1 . 1 1 2 2 GLU CA C 2 56.919 56.919 58.919 -2.000 25789
4 1 1 . 1 1 2 2 GLU CB C 2 30.334 30.334 28.882 1.452 25789
5 1 1 . 1 1 2 2 GLU H H 2 8.777 8.777 8.519 0.258 25789
6 1 1 . 1 1 3 3 ASP N N 3 121.555 121.555 122.101 -0.546 25789
7 1 1 . 1 1 3 3 ASP HA H 3 4.543 4.543 4.900 -0.357 25789
8 1 1 . 1 1 3 3 ASP H H 3 8.491 8.491 8.101 0.390 25789
9 1 1 . 1 1 4 4 CYS N N 4 122.792 122.792 120.894 1.898 25789
10 1 1 . 1 1 4 4 CYS HA H 4 4.587 4.587 4.774 -0.187 25789
11 1 1 . 1 1 4 4 CYS C C 4 173.506 173.506 172.999 0.507 25789
12 1 1 . 1 1 4 4 CYS CA C 4 57.905 57.905 57.226 0.679 25789
13 1 1 . 1 1 4 4 CYS CB C 4 38.220 38.220 29.628 8.592 25789
14 1 1 . 1 1 4 4 CYS H H 4 8.347 8.347 8.312 0.035 25789
15 1 1 . 1 1 5 5 VAL N N 5 130.233 130.233 122.362 7.871 25789
16 1 1 . 1 1 5 5 VAL HA H 5 4.591 4.591 4.355 0.236 25789
17 1 1 . 1 1 5 5 VAL C C 5 175.872 175.872 175.866 0.006 25789
18 1 1 . 1 1 5 5 VAL CA C 5 61.756 61.756 61.996 -0.240 25789
19 1 1 . 1 1 5 5 VAL CB C 5 34.641 34.641 33.581 1.060 25789
20 1 1 . 1 1 5 5 VAL H H 5 8.597 8.597 8.273 0.324 25789
21 1 1 . 1 1 6 6 GLY N N 6 115.595 115.595 114.468 1.127 25789
22 1 1 . 1 1 6 6 GLY C C 6 173.454 173.454 172.274 1.180 25789
23 1 1 . 1 1 6 6 GLY CA C 6 45.527 45.527 44.617 0.910 25789
24 1 1 . 1 1 6 6 GLY H H 6 8.836 8.836 8.425 0.411 25789
25 1 1 . 1 1 7 7 ARG N N 7 124.372 124.372 121.518 2.854 25789
26 1 1 . 1 1 7 7 ARG HA H 7 4.637 4.637 4.607 0.030 25789
27 1 1 . 1 1 7 7 ARG C C 7 175.190 175.190 174.385 0.805 25789
28 1 1 . 1 1 7 7 ARG CA C 7 55.528 55.528 55.206 0.322 25789
29 1 1 . 1 1 7 7 ARG CB C 7 32.434 32.434 32.405 0.029 25789
30 1 1 . 1 1 7 7 ARG H H 7 8.760 8.760 8.299 0.461 25789
31 1 1 . 1 1 8 8 LYS N N 8 126.364 126.364 123.188 3.176 25789
32 1 1 . 1 1 8 8 LYS HA H 8 4.435 4.435 4.409 0.026 25789
33 1 1 . 1 1 8 8 LYS C C 8 174.455 174.455 175.652 -1.197 25789
34 1 1 . 1 1 8 8 LYS CA C 8 55.630 55.630 54.470 1.160 25789
35 1 1 . 1 1 8 8 LYS CB C 8 36.088 36.088 33.703 2.385 25789
36 1 1 . 1 1 8 8 LYS H H 8 8.497 8.497 8.796 -0.299 25789
37 1 1 . 1 1 9 9 ALA N N 9 126.059 126.059 127.031 -0.972 25789
38 1 1 . 1 1 9 9 ALA HA H 9 4.462 4.462 4.308 0.154 25789
39 1 1 . 1 1 9 9 ALA C C 9 176.690 176.690 176.773 -0.083 25789
40 1 1 . 1 1 9 9 ALA CA C 9 52.255 52.255 52.423 -0.168 25789
41 1 1 . 1 1 9 9 ALA CB C 9 17.072 17.072 18.997 -1.925 25789
42 1 1 . 1 1 9 9 ALA H H 9 8.339 8.339 8.401 -0.062 25789
43 1 1 . 1 1 10 10 CYS N N 10 123.013 123.013 123.885 -0.872 25789
44 1 1 . 1 1 10 10 CYS HA H 10 5.070 5.070 4.735 0.335 25789
45 1 1 . 1 1 10 10 CYS C C 10 175.913 175.913 173.311 2.602 25789
46 1 1 . 1 1 10 10 CYS CA C 10 52.909 52.909 58.767 -5.858 25789
47 1 1 . 1 1 10 10 CYS CB C 10 41.080 41.080 30.174 10.906 25789
48 1 1 . 1 1 10 10 CYS H H 10 8.103 8.103 8.530 -0.427 25789
49 1 1 . 1 1 11 11 THR N N 11 113.789 113.789 118.474 -4.685 25789
50 1 1 . 1 1 11 11 THR HA H 11 4.510 4.510 4.702 -0.192 25789
51 1 1 . 1 1 11 11 THR C C 11 174.887 174.887 174.499 0.388 25789
52 1 1 . 1 1 11 11 THR CA C 11 61.918 61.918 62.418 -0.500 25789
53 1 1 . 1 1 11 11 THR CB C 11 69.543 69.543 68.612 0.931 25789
54 1 1 . 1 1 11 11 THR H H 11 8.272 8.272 8.362 -0.090 25789
55 1 1 . 1 1 12 12 ARG N N 12 120.274 120.274 120.676 -0.402 25789
56 1 1 . 1 1 12 12 ARG HA H 12 4.451 4.451 4.550 -0.099 25789
57 1 1 . 1 1 12 12 ARG C C 12 176.188 176.188 176.457 -0.269 25789
58 1 1 . 1 1 12 12 ARG CA C 12 55.853 55.853 56.908 -1.055 25789
59 1 1 . 1 1 12 12 ARG CB C 12 29.473 29.473 31.373 -1.900 25789
60 1 1 . 1 1 12 12 ARG H H 12 8.585 8.585 8.676 -0.091 25789
61 1 1 . 1 1 13 13 GLU N N 13 122.312 122.312 118.269 4.043 25789
62 1 1 . 1 1 13 13 GLU HA H 13 4.206 4.206 4.456 -0.250 25789
63 1 1 . 1 1 13 13 GLU C C 13 175.542 175.542 174.200 1.342 25789
64 1 1 . 1 1 13 13 GLU CA C 13 57.303 57.303 55.662 1.641 25789
65 1 1 . 1 1 13 13 GLU CB C 13 30.201 30.201 31.468 -1.267 25789
66 1 1 . 1 1 13 13 GLU H H 13 8.069 8.069 8.071 -0.002 25789
67 1 1 . 1 1 14 14 TRP N N 14 126.929 126.929 126.552 0.377 25789
68 1 1 . 1 1 14 14 TRP HA H 14 5.125 5.125 5.212 -0.087 25789
69 1 1 . 1 1 14 14 TRP C C 14 174.853 174.853 174.597 0.256 25789
70 1 1 . 1 1 14 14 TRP CA C 14 56.388 56.388 55.962 0.427 25789
71 1 1 . 1 1 14 14 TRP CB C 14 29.804 29.804 30.011 -0.207 25789
72 1 1 . 1 1 14 14 TRP H H 14 8.823 8.823 8.840 -0.017 25789
73 1 1 . 1 1 15 15 TYR N N 15 129.982 129.982 126.760 3.222 25789
74 1 1 . 1 1 15 15 TYR HA H 15 4.522 4.522 4.848 -0.326 25789
75 1 1 . 1 1 15 15 TYR CB C 15 38.301 38.301 40.713 -2.412 25789
76 1 1 . 1 1 15 15 TYR H H 15 8.949 8.949 7.996 0.953 25789
77 1 1 . 1 1 16 16 PRO HA H 16 4.094 4.094 5.026 -0.932 25789
78 1 1 . 1 1 16 16 PRO C C 16 177.191 177.191 175.976 1.215 25789
79 1 1 . 1 1 16 16 PRO CA C 16 62.523 62.523 61.645 0.877 25789
80 1 1 . 1 1 16 16 PRO CB C 16 32.836 32.836 32.516 0.320 25789
81 1 1 . 1 1 17 17 VAL N N 17 114.809 114.809 115.159 -0.350 25789
82 1 1 . 1 1 17 17 VAL HA H 17 4.184 4.184 4.714 -0.530 25789
83 1 1 . 1 1 17 17 VAL C C 17 172.678 172.678 173.688 -1.010 25789
84 1 1 . 1 1 17 17 VAL CA C 17 60.249 60.249 58.974 1.275 25789
85 1 1 . 1 1 17 17 VAL CB C 17 36.086 36.086 35.590 0.496 25789
86 1 1 . 1 1 17 17 VAL H H 17 8.355 8.355 8.499 -0.144 25789
87 1 1 . 1 1 18 18 CYS N N 18 123.493 123.493 120.387 3.106 25789
88 1 1 . 1 1 18 18 CYS HA H 18 5.217 5.217 5.584 -0.367 25789
89 1 1 . 1 1 18 18 CYS C C 18 175.720 175.720 175.483 0.237 25789
90 1 1 . 1 1 18 18 CYS CA C 18 53.874 53.874 56.280 -2.406 25789
91 1 1 . 1 1 18 18 CYS CB C 18 38.042 38.042 29.180 8.862 25789
92 1 1 . 1 1 18 18 CYS H H 18 8.245 8.245 8.518 -0.273 25789
93 1 1 . 1 1 19 19 GLY N N 19 116.182 116.182 113.546 2.636 25789
94 1 1 . 1 1 19 19 GLY C C 19 176.356 176.356 175.372 0.984 25789
95 1 1 . 1 1 19 19 GLY CA C 19 45.350 45.350 44.524 0.826 25789
96 1 1 . 1 1 19 19 GLY H H 19 9.676 9.676 9.305 0.371 25789
97 1 1 . 1 1 20 20 SER N N 20 119.167 119.167 117.920 1.247 25789
98 1 1 . 1 1 20 20 SER HA H 20 4.147 4.147 4.253 -0.106 25789
99 1 1 . 1 1 20 20 SER C C 20 173.922 173.922 175.118 -1.196 25789
100 1 1 . 1 1 20 20 SER CA C 20 61.110 61.110 61.351 -0.241 25789
101 1 1 . 1 1 20 20 SER CB C 20 62.104 62.104 62.963 -0.859 25789
102 1 1 . 1 1 20 20 SER H H 20 9.783 9.783 8.677 1.106 25789
103 1 1 . 1 1 21 21 ASP N N 21 120.973 120.973 119.295 1.678 25789
104 1 1 . 1 1 21 21 ASP HA H 21 4.512 4.512 4.630 -0.118 25789
105 1 1 . 1 1 21 21 ASP C C 21 177.137 177.137 176.872 0.265 25789
106 1 1 . 1 1 21 21 ASP CA C 21 53.514 53.514 53.976 -0.462 25789
107 1 1 . 1 1 21 21 ASP CB C 21 39.784 39.784 41.012 -1.228 25789
108 1 1 . 1 1 21 21 ASP H H 21 8.823 8.823 7.869 0.954 25789
109 1 1 . 1 1 22 22 GLY N N 22 109.625 109.625 107.896 1.729 25789
110 1 1 . 1 1 22 22 GLY C C 22 173.782 173.782 173.550 0.232 25789
111 1 1 . 1 1 22 22 GLY CA C 22 45.916 45.916 45.234 0.682 25789
112 1 1 . 1 1 22 22 GLY H H 22 8.448 8.448 8.403 0.045 25789
113 1 1 . 1 1 23 23 VAL N N 23 124.643 124.643 119.255 5.388 25789
114 1 1 . 1 1 23 23 VAL HA H 23 3.850 3.850 4.369 -0.519 25789
115 1 1 . 1 1 23 23 VAL CA C 23 61.747 61.747 59.456 2.291 25789
116 1 1 . 1 1 23 23 VAL CB C 23 33.045 33.045 34.025 -0.980 25789
117 1 1 . 1 1 23 23 VAL H H 23 7.755 7.755 7.437 0.318 25789
118 1 1 . 1 1 24 24 THR N N 24 124.128 124.128 124.481 -0.353 25789
119 1 1 . 1 1 24 24 THR HA H 24 4.751 4.751 4.364 0.387 25789
120 1 1 . 1 1 24 24 THR C C 24 174.674 174.674 173.410 1.264 25789
121 1 1 . 1 1 24 24 THR CA C 24 62.517 62.517 63.054 -0.537 25789
122 1 1 . 1 1 24 24 THR CB C 24 69.332 69.332 69.123 0.209 25789
123 1 1 . 1 1 24 24 THR H H 24 8.204 8.204 8.331 -0.127 25789
124 1 1 . 1 1 25 25 TYR N N 25 130.525 130.525 127.739 2.786 25789
125 1 1 . 1 1 25 25 TYR HA H 25 4.580 4.580 4.702 -0.122 25789
126 1 1 . 1 1 25 25 TYR C C 25 176.958 176.958 176.064 0.894 25789
127 1 1 . 1 1 25 25 TYR CA C 25 58.112 58.112 56.797 1.315 25789
128 1 1 . 1 1 25 25 TYR CB C 25 40.957 40.957 39.542 1.415 25789
129 1 1 . 1 1 25 25 TYR H H 25 9.528 9.528 9.198 0.330 25789
130 1 1 . 1 1 26 26 SER N N 26 118.275 118.275 118.823 -0.548 25789
131 1 1 . 1 1 26 26 SER HA H 26 3.688 3.688 3.315 0.373 25789
132 1 1 . 1 1 26 26 SER C C 26 172.371 172.371 172.911 -0.540 25789
133 1 1 . 1 1 26 26 SER CA C 26 61.334 61.334 61.455 -0.121 25789
134 1 1 . 1 1 26 26 SER CB C 26 63.624 63.624 63.539 0.085 25789
135 1 1 . 1 1 26 26 SER H H 26 9.300 9.300 8.796 0.504 25789
136 1 1 . 1 1 27 27 ASN N N 27 109.467 109.467 110.643 -1.176 25789
137 1 1 . 1 1 27 27 ASN HA H 27 5.456 5.456 5.543 -0.087 25789
138 1 1 . 1 1 27 27 ASN CA C 27 51.882 51.882 51.840 0.042 25789
139 1 1 . 1 1 27 27 ASN CB C 27 36.669 36.669 38.772 -2.103 25789
140 1 1 . 1 1 27 27 ASN H H 27 7.341 7.341 7.423 -0.082 25789
141 1 1 . 1 1 28 28 PRO HA H 28 4.225 4.225 4.095 0.130 25789
142 1 1 . 1 1 28 28 PRO C C 28 177.600 177.600 178.388 -0.788 25789
143 1 1 . 1 1 28 28 PRO CA C 28 65.794 65.794 65.968 -0.174 25789
144 1 1 . 1 1 28 28 PRO CB C 28 32.317 32.317 31.514 0.803 25789
145 1 1 . 1 1 29 29 CYS N N 29 120.684 120.684 116.008 4.676 25789
146 1 1 . 1 1 29 29 CYS HA H 29 4.371 4.371 4.117 0.254 25789
147 1 1 . 1 1 29 29 CYS C C 29 177.390 177.390 176.796 0.594 25789
148 1 1 . 1 1 29 29 CYS CA C 29 60.240 60.240 62.079 -1.839 25789
149 1 1 . 1 1 29 29 CYS CB C 29 36.524 36.524 26.333 10.191 25789
150 1 1 . 1 1 29 29 CYS H H 29 8.275 8.275 8.243 0.032 25789
151 1 1 . 1 1 30 30 ASN N N 30 122.591 122.591 119.293 3.298 25789
152 1 1 . 1 1 30 30 ASN HA H 30 4.515 4.515 4.484 0.031 25789
153 1 1 . 1 1 30 30 ASN C C 30 178.484 178.484 177.298 1.186 25789
154 1 1 . 1 1 30 30 ASN CA C 30 57.010 57.010 56.457 0.553 25789
155 1 1 . 1 1 30 30 ASN CB C 30 39.559 39.559 38.798 0.761 25789
156 1 1 . 1 1 30 30 ASN H H 30 8.653 8.653 8.370 0.283 25789
157 1 1 . 1 1 31 31 PHE N N 31 121.793 121.793 120.208 1.585 25789
158 1 1 . 1 1 31 31 PHE HA H 31 3.222 3.222 2.628 0.594 25789
159 1 1 . 1 1 31 31 PHE C C 31 175.893 175.893 176.918 -1.025 25789
160 1 1 . 1 1 31 31 PHE CA C 31 61.887 61.887 60.858 1.029 25789
161 1 1 . 1 1 31 31 PHE CB C 31 38.828 38.828 38.840 -0.012 25789
162 1 1 . 1 1 31 31 PHE H H 31 7.848 7.848 7.959 -0.111 25789
163 1 1 . 1 1 32 32 SER N N 32 116.875 116.875 115.652 1.223 25789
164 1 1 . 1 1 32 32 SER HA H 32 3.785 3.785 3.982 -0.197 25789
165 1 1 . 1 1 32 32 SER C C 32 175.874 175.874 176.490 -0.616 25789
166 1 1 . 1 1 32 32 SER CA C 32 61.991 61.991 61.560 0.431 25789
167 1 1 . 1 1 32 32 SER CB C 32 62.697 62.697 62.987 -0.290 25789
168 1 1 . 1 1 32 32 SER H H 32 8.661 8.661 8.684 -0.023 25789
169 1 1 . 1 1 33 33 ALA N N 33 122.924 122.924 123.473 -0.549 25789
170 1 1 . 1 1 33 33 ALA HA H 33 3.877 3.877 4.341 -0.464 25789
171 1 1 . 1 1 33 33 ALA C C 33 178.824 178.824 179.568 -0.744 25789
172 1 1 . 1 1 33 33 ALA CA C 33 55.115 55.115 55.264 -0.149 25789
173 1 1 . 1 1 33 33 ALA CB C 33 18.889 18.889 18.107 0.782 25789
174 1 1 . 1 1 33 33 ALA H H 33 7.977 7.977 8.407 -0.430 25789
175 1 1 . 1 1 34 34 GLN N N 34 119.261 119.261 118.759 0.502 25789
176 1 1 . 1 1 34 34 GLN HA H 34 3.595 3.595 4.007 -0.412 25789
177 1 1 . 1 1 34 34 GLN C C 34 178.745 178.745 178.346 0.399 25789
178 1 1 . 1 1 34 34 GLN CA C 34 58.880 58.880 58.561 0.319 25789
179 1 1 . 1 1 34 34 GLN CB C 34 27.349 27.349 28.526 -1.177 25789
180 1 1 . 1 1 34 34 GLN H H 34 7.177 7.177 7.989 -0.812 25789
181 1 1 . 1 1 35 35 GLN N N 35 122.346 122.346 117.091 5.255 25789
182 1 1 . 1 1 35 35 GLN HA H 35 4.008 4.008 4.066 -0.058 25789
183 1 1 . 1 1 35 35 GLN C C 35 176.948 176.948 177.522 -0.574 25789
184 1 1 . 1 1 35 35 GLN CA C 35 57.174 57.174 58.229 -1.055 25789
185 1 1 . 1 1 35 35 GLN CB C 35 29.865 29.865 28.877 0.988 25789
186 1 1 . 1 1 35 35 GLN H H 35 7.716 7.716 7.587 0.129 25789
187 1 1 . 1 1 36 36 GLU N N 36 114.288 114.288 116.789 -2.501 25789
188 1 1 . 1 1 36 36 GLU HA H 36 3.891 3.891 4.044 -0.153 25789
189 1 1 . 1 1 36 36 GLU C C 36 179.191 179.191 178.124 1.067 25789
190 1 1 . 1 1 36 36 GLU CA C 36 58.444 58.444 58.342 0.103 25789
191 1 1 . 1 1 36 36 GLU CB C 36 30.860 30.860 29.423 1.437 25789
192 1 1 . 1 1 36 36 GLU H H 36 8.239 8.239 8.169 0.070 25789
193 1 1 . 1 1 37 37 GLN N N 37 112.767 112.767 117.387 -4.620 25789
194 1 1 . 1 1 37 37 GLN HA H 37 4.382 4.382 4.304 0.078 25789
195 1 1 . 1 1 37 37 GLN C C 37 177.125 177.125 176.693 0.432 25789
196 1 1 . 1 1 37 37 GLN CA C 37 56.848 56.848 58.319 -1.471 25789
197 1 1 . 1 1 37 37 GLN CB C 37 30.442 30.442 29.908 0.534 25789
198 1 1 . 1 1 37 37 GLN H H 37 7.644 7.644 7.645 -0.001 25789
199 1 1 . 1 1 38 38 CYS N N 38 115.172 115.172 114.106 1.066 25789
200 1 1 . 1 1 38 38 CYS HA H 38 5.033 5.033 4.825 0.208 25789
201 1 1 . 1 1 38 38 CYS C C 38 174.561 174.561 173.833 0.728 25789
202 1 1 . 1 1 38 38 CYS CA C 38 54.813 54.813 58.610 -3.797 25789
203 1 1 . 1 1 38 38 CYS CB C 38 41.981 41.981 29.824 12.157 25789
204 1 1 . 1 1 38 38 CYS H H 38 7.704 7.704 7.944 -0.240 25789
205 1 1 . 1 1 39 39 ASP N N 39 118.112 118.112 120.860 -2.748 25789
206 1 1 . 1 1 39 39 ASP HA H 39 5.035 5.035 5.078 -0.043 25789
207 1 1 . 1 1 39 39 ASP CA C 39 51.652 51.652 51.519 0.133 25789
208 1 1 . 1 1 39 39 ASP CB C 39 41.995 41.995 42.520 -0.526 25789
209 1 1 . 1 1 39 39 ASP H H 39 7.824 7.824 8.077 -0.253 25789
210 1 1 . 1 1 40 40 PRO HA H 40 4.682 4.682 4.349 0.333 25789
211 1 1 . 1 1 40 40 PRO C C 40 177.751 177.751 176.684 1.067 25789
212 1 1 . 1 1 40 40 PRO CA C 40 63.531 63.531 63.666 -0.135 25789
213 1 1 . 1 1 40 40 PRO CB C 40 32.479 32.479 31.986 0.493 25789
214 1 1 . 1 1 41 41 ASN N N 41 114.538 114.538 115.306 -0.768 25789
215 1 1 . 1 1 41 41 ASN HA H 41 4.710 4.710 4.662 0.048 25789
216 1 1 . 1 1 41 41 ASN C C 41 175.877 175.877 175.846 0.031 25789
217 1 1 . 1 1 41 41 ASN CA C 41 53.533 53.533 53.393 0.140 25789
218 1 1 . 1 1 41 41 ASN CB C 41 39.317 39.317 39.245 0.072 25789
219 1 1 . 1 1 41 41 ASN H H 41 8.183 8.183 7.948 0.235 25789
220 1 1 . 1 1 42 42 ILE N N 42 117.609 117.609 117.959 -0.350 25789
221 1 1 . 1 1 42 42 ILE HA H 42 4.188 4.188 4.352 -0.164 25789
222 1 1 . 1 1 42 42 ILE C C 42 174.947 174.947 174.979 -0.032 25789
223 1 1 . 1 1 42 42 ILE CA C 42 62.863 62.863 60.131 2.732 25789
224 1 1 . 1 1 42 42 ILE CB C 42 39.653 39.653 38.950 0.703 25789
225 1 1 . 1 1 42 42 ILE H H 42 7.260 7.260 7.540 -0.280 25789
226 1 1 . 1 1 43 43 THR N N 43 114.448 114.448 113.951 0.497 25789
227 1 1 . 1 1 43 43 THR HA H 43 4.814 4.814 4.860 -0.046 25789
228 1 1 . 1 1 43 43 THR C C 43 173.737 173.737 174.295 -0.558 25789
229 1 1 . 1 1 43 43 THR CA C 43 60.118 60.118 59.421 0.697 25789
230 1 1 . 1 1 43 43 THR CB C 43 72.559 72.559 71.712 0.847 25789
231 1 1 . 1 1 43 43 THR H H 43 8.828 8.828 8.377 0.451 25789
232 1 1 . 1 1 44 44 ILE N N 44 121.256 121.256 121.323 -0.067 25789
233 1 1 . 1 1 44 44 ILE HA H 44 3.475 3.475 4.093 -0.618 25789
234 1 1 . 1 1 44 44 ILE C C 44 176.400 176.400 176.449 -0.049 25789
235 1 1 . 1 1 44 44 ILE CA C 44 62.849 62.849 62.330 0.519 25789
236 1 1 . 1 1 44 44 ILE CB C 44 37.712 37.712 37.500 0.212 25789
237 1 1 . 1 1 44 44 ILE H H 44 8.487 8.487 8.474 0.013 25789
238 1 1 . 1 1 45 45 ALA N N 45 140.640 140.640 132.193 8.447 25789
239 1 1 . 1 1 45 45 ALA HA H 45 4.210 4.210 4.280 -0.070 25789
240 1 1 . 1 1 45 45 ALA C C 45 178.725 178.725 177.328 1.397 25789
241 1 1 . 1 1 45 45 ALA CA C 45 54.537 54.537 53.757 0.780 25789
242 1 1 . 1 1 45 45 ALA CB C 45 19.216 19.216 20.089 -0.873 25789
243 1 1 . 1 1 45 45 ALA H H 45 9.195 9.195 9.072 0.123 25789
244 1 1 . 1 1 46 46 HIS N N 46 106.909 106.909 110.127 -3.218 25789
245 1 1 . 1 1 46 46 HIS HA H 46 4.608 4.608 4.768 -0.160 25789
246 1 1 . 1 1 46 46 HIS C C 46 173.062 173.062 173.312 -0.250 25789
247 1 1 . 1 1 46 46 HIS CA C 46 54.573 54.573 54.518 0.055 25789
248 1 1 . 1 1 46 46 HIS CB C 46 29.351 29.351 30.230 -0.879 25789
249 1 1 . 1 1 46 46 HIS H H 46 7.240 7.240 7.404 -0.164 25789
250 1 1 . 1 1 47 47 MET N N 47 119.326 119.326 121.959 -2.633 25789
251 1 1 . 1 1 47 47 MET HA H 47 4.655 4.655 4.167 0.488 25789
252 1 1 . 1 1 47 47 MET C C 47 179.036 179.036 176.743 2.293 25789
253 1 1 . 1 1 47 47 MET CA C 47 54.965 54.965 55.971 -1.006 25789
254 1 1 . 1 1 47 47 MET CB C 47 31.458 31.458 32.534 -1.076 25789
255 1 1 . 1 1 47 47 MET H H 47 9.092 9.092 8.599 0.493 25789
256 1 1 . 1 1 48 48 GLY N N 48 114.963 114.963 113.697 1.266 25789
257 1 1 . 1 1 48 48 GLY C C 48 170.539 170.539 173.019 -2.480 25789
258 1 1 . 1 1 48 48 GLY CA C 48 44.288 44.288 44.504 -0.216 25789
259 1 1 . 1 1 48 48 GLY H H 48 8.162 8.162 8.697 -0.535 25789
260 1 1 . 1 1 49 49 GLU N N 49 113.303 113.303 118.952 -5.649 25789
261 1 1 . 1 1 49 49 GLU HA H 49 3.971 3.971 4.040 -0.069 25789
262 1 1 . 1 1 49 49 GLU C C 49 178.243 178.243 175.869 2.374 25789
263 1 1 . 1 1 49 49 GLU CA C 49 56.770 56.770 56.516 0.254 25789
264 1 1 . 1 1 49 49 GLU CB C 49 30.475 30.475 30.110 0.365 25789
265 1 1 . 1 1 49 49 GLU H H 49 8.225 8.225 8.259 -0.034 25789
266 1 2 . 1 1 2 2 GLU N N 2 120.587 120.587 118.123 2.464 25789
267 1 2 . 1 1 2 2 GLU HA H 2 4.778 4.778 3.899 0.879 25789
268 1 2 . 1 1 2 2 GLU CA C 2 56.919 56.919 58.853 -1.934 25789
269 1 2 . 1 1 2 2 GLU CB C 2 30.334 30.334 28.686 1.647 25789
270 1 2 . 1 1 2 2 GLU H H 2 8.777 8.777 8.616 0.161 25789
271 1 2 . 1 1 3 3 ASP N N 3 121.555 121.555 121.861 -0.306 25789
272 1 2 . 1 1 3 3 ASP HA H 3 4.543 4.543 4.845 -0.302 25789
273 1 2 . 1 1 3 3 ASP H H 3 8.491 8.491 8.198 0.293 25789
274 1 2 . 1 1 4 4 CYS N N 4 122.792 122.792 121.864 0.928 25789
275 1 2 . 1 1 4 4 CYS HA H 4 4.587 4.587 4.781 -0.194 25789
276 1 2 . 1 1 4 4 CYS C C 4 173.506 173.506 172.913 0.593 25789
277 1 2 . 1 1 4 4 CYS CA C 4 57.905 57.905 56.815 1.091 25789
278 1 2 . 1 1 4 4 CYS CB C 4 38.220 38.220 28.722 9.498 25789
279 1 2 . 1 1 4 4 CYS H H 4 8.347 8.347 8.438 -0.091 25789
280 1 2 . 1 1 5 5 VAL N N 5 130.233 130.233 125.054 5.179 25789
281 1 2 . 1 1 5 5 VAL HA H 5 4.591 4.591 4.367 0.224 25789
282 1 2 . 1 1 5 5 VAL C C 5 175.872 175.872 175.965 -0.093 25789
283 1 2 . 1 1 5 5 VAL CA C 5 61.756 61.756 61.370 0.386 25789
284 1 2 . 1 1 5 5 VAL CB C 5 34.641 34.641 34.045 0.596 25789
285 1 2 . 1 1 5 5 VAL H H 5 8.597 8.597 8.300 0.297 25789
286 1 2 . 1 1 6 6 GLY N N 6 115.595 115.595 115.422 0.173 25789
287 1 2 . 1 1 6 6 GLY C C 6 173.454 173.454 172.851 0.603 25789
288 1 2 . 1 1 6 6 GLY CA C 6 45.527 45.527 44.746 0.781 25789
289 1 2 . 1 1 6 6 GLY H H 6 8.836 8.836 8.382 0.454 25789
290 1 2 . 1 1 7 7 ARG N N 7 124.372 124.372 122.537 1.835 25789
291 1 2 . 1 1 7 7 ARG HA H 7 4.637 4.637 4.876 -0.239 25789
292 1 2 . 1 1 7 7 ARG C C 7 175.190 175.190 175.223 -0.033 25789
293 1 2 . 1 1 7 7 ARG CA C 7 55.528 55.528 55.091 0.437 25789
294 1 2 . 1 1 7 7 ARG CB C 7 32.434 32.434 32.718 -0.284 25789
295 1 2 . 1 1 7 7 ARG H H 7 8.760 8.760 8.370 0.390 25789
296 1 2 . 1 1 8 8 LYS N N 8 126.364 126.364 123.914 2.450 25789
297 1 2 . 1 1 8 8 LYS HA H 8 4.435 4.435 4.504 -0.069 25789
298 1 2 . 1 1 8 8 LYS C C 8 174.455 174.455 175.772 -1.317 25789
299 1 2 . 1 1 8 8 LYS CA C 8 55.630 55.630 54.231 1.399 25789
300 1 2 . 1 1 8 8 LYS CB C 8 36.088 36.088 33.336 2.752 25789
301 1 2 . 1 1 8 8 LYS H H 8 8.497 8.497 8.817 -0.320 25789
302 1 2 . 1 1 9 9 ALA N N 9 126.059 126.059 126.445 -0.386 25789
303 1 2 . 1 1 9 9 ALA HA H 9 4.462 4.462 4.352 0.110 25789
304 1 2 . 1 1 9 9 ALA C C 9 176.690 176.690 176.686 0.004 25789
305 1 2 . 1 1 9 9 ALA CA C 9 52.255 52.255 52.324 -0.069 25789
306 1 2 . 1 1 9 9 ALA CB C 9 17.072 17.072 18.855 -1.783 25789
307 1 2 . 1 1 9 9 ALA H H 9 8.339 8.339 8.362 -0.023 25789
308 1 2 . 1 1 10 10 CYS N N 10 123.013 123.013 123.274 -0.261 25789
309 1 2 . 1 1 10 10 CYS HA H 10 5.070 5.070 4.825 0.245 25789
310 1 2 . 1 1 10 10 CYS C C 10 175.913 175.913 173.281 2.632 25789
311 1 2 . 1 1 10 10 CYS CA C 10 52.909 52.909 58.860 -5.951 25789
312 1 2 . 1 1 10 10 CYS CB C 10 41.080 41.080 30.074 11.006 25789
313 1 2 . 1 1 10 10 CYS H H 10 8.103 8.103 8.537 -0.434 25789
314 1 2 . 1 1 11 11 THR N N 11 113.789 113.789 118.693 -4.904 25789
315 1 2 . 1 1 11 11 THR HA H 11 4.510 4.510 4.606 -0.096 25789
316 1 2 . 1 1 11 11 THR C C 11 174.887 174.887 174.263 0.624 25789
317 1 2 . 1 1 11 11 THR CA C 11 61.918 61.918 62.689 -0.771 25789
318 1 2 . 1 1 11 11 THR CB C 11 69.543 69.543 68.617 0.926 25789
319 1 2 . 1 1 11 11 THR H H 11 8.272 8.272 8.366 -0.094 25789
320 1 2 . 1 1 12 12 ARG N N 12 120.274 120.274 120.627 -0.353 25789
321 1 2 . 1 1 12 12 ARG HA H 12 4.451 4.451 4.462 -0.011 25789
322 1 2 . 1 1 12 12 ARG C C 12 176.188 176.188 175.446 0.742 25789
323 1 2 . 1 1 12 12 ARG CA C 12 55.853 55.853 56.277 -0.424 25789
324 1 2 . 1 1 12 12 ARG CB C 12 29.473 29.473 31.227 -1.754 25789
325 1 2 . 1 1 12 12 ARG H H 12 8.585 8.585 8.579 0.006 25789
326 1 2 . 1 1 13 13 GLU N N 13 122.312 122.312 118.938 3.374 25789
327 1 2 . 1 1 13 13 GLU HA H 13 4.206 4.206 4.407 -0.201 25789
328 1 2 . 1 1 13 13 GLU C C 13 175.542 175.542 173.634 1.908 25789
329 1 2 . 1 1 13 13 GLU CA C 13 57.303 57.303 55.655 1.648 25789
330 1 2 . 1 1 13 13 GLU CB C 13 30.201 30.201 32.204 -2.003 25789
331 1 2 . 1 1 13 13 GLU H H 13 8.069 8.069 7.687 0.382 25789
332 1 2 . 1 1 14 14 TRP N N 14 126.929 126.929 126.276 0.653 25789
333 1 2 . 1 1 14 14 TRP HA H 14 5.125 5.125 4.995 0.130 25789
334 1 2 . 1 1 14 14 TRP C C 14 174.853 174.853 174.162 0.691 25789
335 1 2 . 1 1 14 14 TRP CA C 14 56.388 56.388 56.044 0.344 25789
336 1 2 . 1 1 14 14 TRP CB C 14 29.804 29.804 30.009 -0.205 25789
337 1 2 . 1 1 14 14 TRP H H 14 8.823 8.823 8.694 0.129 25789
338 1 2 . 1 1 15 15 TYR N N 15 129.982 129.982 125.357 4.625 25789
339 1 2 . 1 1 15 15 TYR HA H 15 4.522 4.522 4.797 -0.275 25789
340 1 2 . 1 1 15 15 TYR CB C 15 38.301 38.301 39.765 -1.464 25789
341 1 2 . 1 1 15 15 TYR H H 15 8.949 8.949 7.976 0.973 25789
342 1 2 . 1 1 16 16 PRO HA H 16 4.094 4.094 4.904 -0.810 25789
343 1 2 . 1 1 16 16 PRO C C 16 177.191 177.191 175.885 1.306 25789
344 1 2 . 1 1 16 16 PRO CA C 16 62.523 62.523 61.964 0.559 25789
345 1 2 . 1 1 16 16 PRO CB C 16 32.836 32.836 32.492 0.344 25789
346 1 2 . 1 1 17 17 VAL N N 17 114.809 114.809 116.551 -1.742 25789
347 1 2 . 1 1 17 17 VAL HA H 17 4.184 4.184 4.719 -0.535 25789
348 1 2 . 1 1 17 17 VAL C C 17 172.678 172.678 173.638 -0.960 25789
349 1 2 . 1 1 17 17 VAL CA C 17 60.249 60.249 58.977 1.272 25789
350 1 2 . 1 1 17 17 VAL CB C 17 36.086 36.086 34.856 1.230 25789
351 1 2 . 1 1 17 17 VAL H H 17 8.355 8.355 8.873 -0.518 25789
352 1 2 . 1 1 18 18 CYS N N 18 123.493 123.493 119.833 3.660 25789
353 1 2 . 1 1 18 18 CYS HA H 18 5.217 5.217 5.386 -0.169 25789
354 1 2 . 1 1 18 18 CYS C C 18 175.720 175.720 175.071 0.649 25789
355 1 2 . 1 1 18 18 CYS CA C 18 53.874 53.874 56.156 -2.282 25789
356 1 2 . 1 1 18 18 CYS CB C 18 38.042 38.042 29.312 8.730 25789
357 1 2 . 1 1 18 18 CYS H H 18 8.245 8.245 8.601 -0.356 25789
358 1 2 . 1 1 19 19 GLY N N 19 116.182 116.182 114.002 2.180 25789
359 1 2 . 1 1 19 19 GLY C C 19 176.356 176.356 175.049 1.307 25789
360 1 2 . 1 1 19 19 GLY CA C 19 45.350 45.350 44.697 0.653 25789
361 1 2 . 1 1 19 19 GLY H H 19 9.676 9.676 9.481 0.195 25789
362 1 2 . 1 1 20 20 SER N N 20 119.167 119.167 119.104 0.063 25789
363 1 2 . 1 1 20 20 SER HA H 20 4.147 4.147 4.243 -0.096 25789
364 1 2 . 1 1 20 20 SER C C 20 173.922 173.922 175.310 -1.388 25789
365 1 2 . 1 1 20 20 SER CA C 20 61.110 61.110 61.066 0.044 25789
366 1 2 . 1 1 20 20 SER CB C 20 62.104 62.104 63.246 -1.142 25789
367 1 2 . 1 1 20 20 SER H H 20 9.783 9.783 8.874 0.909 25789
368 1 2 . 1 1 21 21 ASP N N 21 120.973 120.973 120.051 0.922 25789
369 1 2 . 1 1 21 21 ASP HA H 21 4.512 4.512 4.624 -0.112 25789
370 1 2 . 1 1 21 21 ASP C C 21 177.137 177.137 176.943 0.194 25789
371 1 2 . 1 1 21 21 ASP CA C 21 53.514 53.514 53.936 -0.422 25789
372 1 2 . 1 1 21 21 ASP CB C 21 39.784 39.784 40.769 -0.985 25789
373 1 2 . 1 1 21 21 ASP H H 21 8.823 8.823 7.977 0.846 25789
374 1 2 . 1 1 22 22 GLY N N 22 109.625 109.625 107.172 2.453 25789
375 1 2 . 1 1 22 22 GLY C C 22 173.782 173.782 173.657 0.125 25789
376 1 2 . 1 1 22 22 GLY CA C 22 45.916 45.916 45.014 0.902 25789
377 1 2 . 1 1 22 22 GLY H H 22 8.448 8.448 8.358 0.090 25789
378 1 2 . 1 1 23 23 VAL N N 23 124.643 124.643 119.435 5.208 25789
379 1 2 . 1 1 23 23 VAL HA H 23 3.850 3.850 4.381 -0.531 25789
380 1 2 . 1 1 23 23 VAL CA C 23 61.747 61.747 59.572 2.175 25789
381 1 2 . 1 1 23 23 VAL CB C 23 33.045 33.045 34.693 -1.648 25789
382 1 2 . 1 1 23 23 VAL H H 23 7.755 7.755 7.492 0.263 25789
383 1 2 . 1 1 24 24 THR N N 24 124.128 124.128 125.540 -1.412 25789
384 1 2 . 1 1 24 24 THR HA H 24 4.751 4.751 4.392 0.359 25789
385 1 2 . 1 1 24 24 THR C C 24 174.674 174.674 173.605 1.069 25789
386 1 2 . 1 1 24 24 THR CA C 24 62.517 62.517 63.396 -0.879 25789
387 1 2 . 1 1 24 24 THR CB C 24 69.332 69.332 68.713 0.619 25789
388 1 2 . 1 1 24 24 THR H H 24 8.204 8.204 8.260 -0.056 25789
389 1 2 . 1 1 25 25 TYR N N 25 130.525 130.525 128.502 2.023 25789
390 1 2 . 1 1 25 25 TYR HA H 25 4.580 4.580 4.759 -0.179 25789
391 1 2 . 1 1 25 25 TYR C C 25 176.958 176.958 176.467 0.491 25789
392 1 2 . 1 1 25 25 TYR CA C 25 58.112 58.112 57.228 0.884 25789
393 1 2 . 1 1 25 25 TYR CB C 25 40.957 40.957 40.163 0.794 25789
394 1 2 . 1 1 25 25 TYR H H 25 9.528 9.528 9.087 0.441 25789
395 1 2 . 1 1 26 26 SER N N 26 118.275 118.275 118.434 -0.159 25789
396 1 2 . 1 1 26 26 SER HA H 26 3.688 3.688 3.725 -0.037 25789
397 1 2 . 1 1 26 26 SER C C 26 172.371 172.371 172.541 -0.170 25789
398 1 2 . 1 1 26 26 SER CA C 26 61.334 61.334 60.375 0.959 25789
399 1 2 . 1 1 26 26 SER CB C 26 63.624 63.624 63.424 0.200 25789
400 1 2 . 1 1 26 26 SER H H 26 9.300 9.300 9.515 -0.215 25789
401 1 2 . 1 1 27 27 ASN N N 27 109.467 109.467 109.776 -0.309 25789
402 1 2 . 1 1 27 27 ASN HA H 27 5.456 5.456 5.457 -0.001 25789
403 1 2 . 1 1 27 27 ASN CA C 27 51.882 51.882 51.810 0.072 25789
404 1 2 . 1 1 27 27 ASN CB C 27 36.669 36.669 37.681 -1.012 25789
405 1 2 . 1 1 27 27 ASN H H 27 7.341 7.341 7.268 0.073 25789
406 1 2 . 1 1 28 28 PRO HA H 28 4.225 4.225 4.169 0.056 25789
407 1 2 . 1 1 28 28 PRO C C 28 177.600 177.600 178.435 -0.835 25789
408 1 2 . 1 1 28 28 PRO CA C 28 65.794 65.794 66.002 -0.208 25789
409 1 2 . 1 1 28 28 PRO CB C 28 32.317 32.317 31.586 0.731 25789
410 1 2 . 1 1 29 29 CYS N N 29 120.684 120.684 116.607 4.077 25789
411 1 2 . 1 1 29 29 CYS HA H 29 4.371 4.371 4.178 0.193 25789
412 1 2 . 1 1 29 29 CYS C C 29 177.390 177.390 177.045 0.345 25789
413 1 2 . 1 1 29 29 CYS CA C 29 60.240 60.240 61.732 -1.492 25789
414 1 2 . 1 1 29 29 CYS CB C 29 36.524 36.524 25.978 10.546 25789
415 1 2 . 1 1 29 29 CYS H H 29 8.275 8.275 8.469 -0.194 25789
416 1 2 . 1 1 30 30 ASN N N 30 122.591 122.591 119.280 3.311 25789
417 1 2 . 1 1 30 30 ASN HA H 30 4.515 4.515 4.434 0.081 25789
418 1 2 . 1 1 30 30 ASN C C 30 178.484 178.484 177.271 1.213 25789
419 1 2 . 1 1 30 30 ASN CA C 30 57.010 57.010 56.502 0.508 25789
420 1 2 . 1 1 30 30 ASN CB C 30 39.559 39.559 38.776 0.783 25789
421 1 2 . 1 1 30 30 ASN H H 30 8.653 8.653 8.968 -0.315 25789
422 1 2 . 1 1 31 31 PHE N N 31 121.793 121.793 121.232 0.561 25789
423 1 2 . 1 1 31 31 PHE HA H 31 3.222 3.222 3.069 0.153 25789
424 1 2 . 1 1 31 31 PHE C C 31 175.893 175.893 177.087 -1.194 25789
425 1 2 . 1 1 31 31 PHE CA C 31 61.887 61.887 61.000 0.887 25789
426 1 2 . 1 1 31 31 PHE CB C 31 38.828 38.828 39.092 -0.264 25789
427 1 2 . 1 1 31 31 PHE H H 31 7.848 7.848 8.498 -0.650 25789
428 1 2 . 1 1 32 32 SER N N 32 116.875 116.875 116.152 0.723 25789
429 1 2 . 1 1 32 32 SER HA H 32 3.785 3.785 3.969 -0.184 25789
430 1 2 . 1 1 32 32 SER C C 32 175.874 175.874 176.468 -0.594 25789
431 1 2 . 1 1 32 32 SER CA C 32 61.991 61.991 62.135 -0.144 25789
432 1 2 . 1 1 32 32 SER CB C 32 62.697 62.697 62.874 -0.178 25789
433 1 2 . 1 1 32 32 SER H H 32 8.661 8.661 8.749 -0.088 25789
434 1 2 . 1 1 33 33 ALA N N 33 122.924 122.924 124.403 -1.479 25789
435 1 2 . 1 1 33 33 ALA HA H 33 3.877 3.877 4.161 -0.284 25789
436 1 2 . 1 1 33 33 ALA C C 33 178.824 178.824 179.480 -0.656 25789
437 1 2 . 1 1 33 33 ALA CA C 33 55.115 55.115 54.953 0.162 25789
438 1 2 . 1 1 33 33 ALA CB C 33 18.889 18.889 18.048 0.841 25789
439 1 2 . 1 1 33 33 ALA H H 33 7.977 7.977 7.979 -0.002 25789
440 1 2 . 1 1 34 34 GLN N N 34 119.261 119.261 118.866 0.395 25789
441 1 2 . 1 1 34 34 GLN HA H 34 3.595 3.595 3.956 -0.361 25789
442 1 2 . 1 1 34 34 GLN C C 34 178.745 178.745 178.513 0.232 25789
443 1 2 . 1 1 34 34 GLN CA C 34 58.880 58.880 58.803 0.077 25789
444 1 2 . 1 1 34 34 GLN CB C 34 27.349 27.349 28.634 -1.285 25789
445 1 2 . 1 1 34 34 GLN H H 34 7.177 7.177 8.108 -0.931 25789
446 1 2 . 1 1 35 35 GLN N N 35 122.346 122.346 118.246 4.100 25789
447 1 2 . 1 1 35 35 GLN HA H 35 4.008 4.008 4.041 -0.033 25789
448 1 2 . 1 1 35 35 GLN C C 35 176.948 176.948 178.381 -1.433 25789
449 1 2 . 1 1 35 35 GLN CA C 35 57.174 57.174 58.018 -0.844 25789
450 1 2 . 1 1 35 35 GLN CB C 35 29.865 29.865 28.289 1.576 25789
451 1 2 . 1 1 35 35 GLN H H 35 7.716 7.716 7.608 0.108 25789
452 1 2 . 1 1 36 36 GLU N N 36 114.288 114.288 118.228 -3.940 25789
453 1 2 . 1 1 36 36 GLU HA H 36 3.891 3.891 4.028 -0.137 25789
454 1 2 . 1 1 36 36 GLU C C 36 179.191 179.191 178.224 0.967 25789
455 1 2 . 1 1 36 36 GLU CA C 36 58.444 58.444 58.375 0.069 25789
456 1 2 . 1 1 36 36 GLU CB C 36 30.860 30.860 29.254 1.606 25789
457 1 2 . 1 1 36 36 GLU H H 36 8.239 8.239 8.317 -0.078 25789
458 1 2 . 1 1 37 37 GLN N N 37 112.767 112.767 117.358 -4.591 25789
459 1 2 . 1 1 37 37 GLN HA H 37 4.382 4.382 4.271 0.111 25789
460 1 2 . 1 1 37 37 GLN C C 37 177.125 177.125 175.827 1.298 25789
461 1 2 . 1 1 37 37 GLN CA C 37 56.848 56.848 57.847 -0.999 25789
462 1 2 . 1 1 37 37 GLN CB C 37 30.442 30.442 30.049 0.393 25789
463 1 2 . 1 1 37 37 GLN H H 37 7.644 7.644 7.878 -0.234 25789
464 1 2 . 1 1 38 38 CYS N N 38 115.172 115.172 114.433 0.739 25789
465 1 2 . 1 1 38 38 CYS HA H 38 5.033 5.033 5.074 -0.041 25789
466 1 2 . 1 1 38 38 CYS C C 38 174.561 174.561 174.243 0.318 25789
467 1 2 . 1 1 38 38 CYS CA C 38 54.813 54.813 58.233 -3.420 25789
468 1 2 . 1 1 38 38 CYS CB C 38 41.981 41.981 29.937 12.044 25789
469 1 2 . 1 1 38 38 CYS H H 38 7.704 7.704 7.843 -0.139 25789
470 1 2 . 1 1 39 39 ASP N N 39 118.112 118.112 121.540 -3.428 25789
471 1 2 . 1 1 39 39 ASP HA H 39 5.035 5.035 5.047 -0.012 25789
472 1 2 . 1 1 39 39 ASP CA C 39 51.652 51.652 51.025 0.627 25789
473 1 2 . 1 1 39 39 ASP CB C 39 41.995 41.995 42.564 -0.569 25789
474 1 2 . 1 1 39 39 ASP H H 39 7.824 7.824 7.740 0.084 25789
475 1 2 . 1 1 40 40 PRO HA H 40 4.682 4.682 4.488 0.194 25789
476 1 2 . 1 1 40 40 PRO C C 40 177.751 177.751 176.831 0.920 25789
477 1 2 . 1 1 40 40 PRO CA C 40 63.531 63.531 63.808 -0.277 25789
478 1 2 . 1 1 40 40 PRO CB C 40 32.479 32.479 32.218 0.261 25789
479 1 2 . 1 1 41 41 ASN N N 41 114.538 114.538 115.769 -1.231 25789
480 1 2 . 1 1 41 41 ASN HA H 41 4.710 4.710 4.687 0.023 25789
481 1 2 . 1 1 41 41 ASN C C 41 175.877 175.877 175.805 0.072 25789
482 1 2 . 1 1 41 41 ASN CA C 41 53.533 53.533 53.979 -0.446 25789
483 1 2 . 1 1 41 41 ASN CB C 41 39.317 39.317 39.616 -0.299 25789
484 1 2 . 1 1 41 41 ASN H H 41 8.183 8.183 8.102 0.081 25789
485 1 2 . 1 1 42 42 ILE N N 42 117.609 117.609 117.761 -0.152 25789
486 1 2 . 1 1 42 42 ILE HA H 42 4.188 4.188 4.362 -0.174 25789
487 1 2 . 1 1 42 42 ILE C C 42 174.947 174.947 175.099 -0.152 25789
488 1 2 . 1 1 42 42 ILE CA C 42 62.863 62.863 60.702 2.161 25789
489 1 2 . 1 1 42 42 ILE CB C 42 39.653 39.653 39.448 0.205 25789
490 1 2 . 1 1 42 42 ILE H H 42 7.260 7.260 7.307 -0.047 25789
491 1 2 . 1 1 43 43 THR N N 43 114.448 114.448 115.388 -0.940 25789
492 1 2 . 1 1 43 43 THR HA H 43 4.814 4.814 5.012 -0.198 25789
493 1 2 . 1 1 43 43 THR C C 43 173.737 173.737 174.064 -0.327 25789
494 1 2 . 1 1 43 43 THR CA C 43 60.118 60.118 59.702 0.416 25789
495 1 2 . 1 1 43 43 THR CB C 43 72.559 72.559 71.558 1.000 25789
496 1 2 . 1 1 43 43 THR H H 43 8.828 8.828 8.964 -0.136 25789
497 1 2 . 1 1 44 44 ILE N N 44 121.256 121.256 121.101 0.155 25789
498 1 2 . 1 1 44 44 ILE HA H 44 3.475 3.475 4.041 -0.566 25789
499 1 2 . 1 1 44 44 ILE C C 44 176.400 176.400 176.386 0.014 25789
500 1 2 . 1 1 44 44 ILE CA C 44 62.849 62.849 61.824 1.025 25789
501 1 2 . 1 1 44 44 ILE CB C 44 37.712 37.712 37.136 0.576 25789
502 1 2 . 1 1 44 44 ILE H H 44 8.487 8.487 8.360 0.127 25789
503 1 2 . 1 1 45 45 ALA N N 45 140.640 140.640 132.606 8.034 25789
504 1 2 . 1 1 45 45 ALA HA H 45 4.210 4.210 4.317 -0.107 25789
505 1 2 . 1 1 45 45 ALA C C 45 178.725 178.725 177.272 1.453 25789
506 1 2 . 1 1 45 45 ALA CA C 45 54.537 54.537 53.451 1.086 25789
507 1 2 . 1 1 45 45 ALA CB C 45 19.216 19.216 20.263 -1.047 25789
508 1 2 . 1 1 45 45 ALA H H 45 9.195 9.195 8.998 0.197 25789
509 1 2 . 1 1 46 46 HIS N N 46 106.909 106.909 110.265 -3.356 25789
510 1 2 . 1 1 46 46 HIS HA H 46 4.608 4.608 4.731 -0.123 25789
511 1 2 . 1 1 46 46 HIS C C 46 173.062 173.062 173.088 -0.026 25789
512 1 2 . 1 1 46 46 HIS CA C 46 54.573 54.573 54.980 -0.407 25789
513 1 2 . 1 1 46 46 HIS CB C 46 29.351 29.351 30.323 -0.972 25789
514 1 2 . 1 1 46 46 HIS H H 46 7.240 7.240 7.408 -0.168 25789
515 1 2 . 1 1 47 47 MET N N 47 119.326 119.326 121.873 -2.547 25789
516 1 2 . 1 1 47 47 MET HA H 47 4.655 4.655 4.246 0.409 25789
517 1 2 . 1 1 47 47 MET C C 47 179.036 179.036 176.726 2.310 25789
518 1 2 . 1 1 47 47 MET CA C 47 54.965 54.965 56.822 -1.857 25789
519 1 2 . 1 1 47 47 MET CB C 47 31.458 31.458 32.787 -1.329 25789
520 1 2 . 1 1 47 47 MET H H 47 9.092 9.092 8.733 0.359 25789
521 1 2 . 1 1 48 48 GLY N N 48 114.963 114.963 111.454 3.509 25789
522 1 2 . 1 1 48 48 GLY C C 48 170.539 170.539 172.594 -2.055 25789
523 1 2 . 1 1 48 48 GLY CA C 48 44.288 44.288 44.200 0.088 25789
524 1 2 . 1 1 48 48 GLY H H 48 8.162 8.162 8.541 -0.379 25789
525 1 2 . 1 1 49 49 GLU N N 49 113.303 113.303 119.332 -6.029 25789
526 1 2 . 1 1 49 49 GLU HA H 49 3.971 3.971 4.092 -0.121 25789
527 1 2 . 1 1 49 49 GLU C C 49 178.243 178.243 175.524 2.719 25789
528 1 2 . 1 1 49 49 GLU CA C 49 56.770 56.770 55.501 1.269 25789
529 1 2 . 1 1 49 49 GLU CB C 49 30.475 30.475 30.154 0.321 25789
530 1 2 . 1 1 49 49 GLU H H 49 8.225 8.225 8.362 -0.137 25789
531 1 3 . 1 1 2 2 GLU N N 2 120.587 120.587 120.716 -0.129 25789
532 1 3 . 1 1 2 2 GLU HA H 2 4.778 4.778 4.466 0.312 25789
533 1 3 . 1 1 2 2 GLU CA C 2 56.919 56.919 57.584 -0.665 25789
534 1 3 . 1 1 2 2 GLU CB C 2 30.334 30.334 31.360 -1.026 25789
535 1 3 . 1 1 2 2 GLU H H 2 8.777 8.777 8.665 0.112 25789
536 1 3 . 1 1 3 3 ASP N N 3 121.555 121.555 118.193 3.362 25789
537 1 3 . 1 1 3 3 ASP HA H 3 4.543 4.543 4.835 -0.292 25789
538 1 3 . 1 1 3 3 ASP H H 3 8.491 8.491 8.216 0.275 25789
539 1 3 . 1 1 4 4 CYS N N 4 122.792 122.792 122.140 0.652 25789
540 1 3 . 1 1 4 4 CYS HA H 4 4.587 4.587 4.736 -0.149 25789
541 1 3 . 1 1 4 4 CYS C C 4 173.506 173.506 173.371 0.135 25789
542 1 3 . 1 1 4 4 CYS CA C 4 57.905 57.905 57.618 0.287 25789
543 1 3 . 1 1 4 4 CYS CB C 4 38.220 38.220 29.545 8.675 25789
544 1 3 . 1 1 4 4 CYS H H 4 8.347 8.347 8.361 -0.014 25789
545 1 3 . 1 1 5 5 VAL N N 5 130.233 130.233 125.643 4.590 25789
546 1 3 . 1 1 5 5 VAL HA H 5 4.591 4.591 4.321 0.270 25789
547 1 3 . 1 1 5 5 VAL C C 5 175.872 175.872 175.731 0.141 25789
548 1 3 . 1 1 5 5 VAL CA C 5 61.756 61.756 61.913 -0.157 25789
549 1 3 . 1 1 5 5 VAL CB C 5 34.641 34.641 33.036 1.605 25789
550 1 3 . 1 1 5 5 VAL H H 5 8.597 8.597 8.332 0.265 25789
551 1 3 . 1 1 6 6 GLY N N 6 115.595 115.595 115.810 -0.215 25789
552 1 3 . 1 1 6 6 GLY C C 6 173.454 173.454 172.735 0.719 25789
553 1 3 . 1 1 6 6 GLY CA C 6 45.527 45.527 44.830 0.697 25789
554 1 3 . 1 1 6 6 GLY H H 6 8.836 8.836 8.353 0.483 25789
555 1 3 . 1 1 7 7 ARG N N 7 124.372 124.372 121.621 2.751 25789
556 1 3 . 1 1 7 7 ARG HA H 7 4.637 4.637 4.719 -0.082 25789
557 1 3 . 1 1 7 7 ARG C C 7 175.190 175.190 174.630 0.560 25789
558 1 3 . 1 1 7 7 ARG CA C 7 55.528 55.528 55.162 0.366 25789
559 1 3 . 1 1 7 7 ARG CB C 7 32.434 32.434 32.503 -0.069 25789
560 1 3 . 1 1 7 7 ARG H H 7 8.760 8.760 8.359 0.401 25789
561 1 3 . 1 1 8 8 LYS N N 8 126.364 126.364 123.479 2.885 25789
562 1 3 . 1 1 8 8 LYS HA H 8 4.435 4.435 4.435 -0.000 25789
563 1 3 . 1 1 8 8 LYS C C 8 174.455 174.455 175.601 -1.146 25789
564 1 3 . 1 1 8 8 LYS CA C 8 55.630 55.630 54.665 0.965 25789
565 1 3 . 1 1 8 8 LYS CB C 8 36.088 36.088 33.615 2.473 25789
566 1 3 . 1 1 8 8 LYS H H 8 8.497 8.497 8.841 -0.344 25789
567 1 3 . 1 1 9 9 ALA N N 9 126.059 126.059 127.492 -1.433 25789
568 1 3 . 1 1 9 9 ALA HA H 9 4.462 4.462 4.300 0.162 25789
569 1 3 . 1 1 9 9 ALA C C 9 176.690 176.690 176.745 -0.055 25789
570 1 3 . 1 1 9 9 ALA CA C 9 52.255 52.255 52.383 -0.128 25789
571 1 3 . 1 1 9 9 ALA CB C 9 17.072 17.072 18.820 -1.748 25789
572 1 3 . 1 1 9 9 ALA H H 9 8.339 8.339 8.439 -0.100 25789
573 1 3 . 1 1 10 10 CYS N N 10 123.013 123.013 123.309 -0.296 25789
574 1 3 . 1 1 10 10 CYS HA H 10 5.070 5.070 4.731 0.339 25789
575 1 3 . 1 1 10 10 CYS C C 10 175.913 175.913 173.568 2.345 25789
576 1 3 . 1 1 10 10 CYS CA C 10 52.909 52.909 58.765 -5.856 25789
577 1 3 . 1 1 10 10 CYS CB C 10 41.080 41.080 29.978 11.102 25789
578 1 3 . 1 1 10 10 CYS H H 10 8.103 8.103 8.544 -0.441 25789
579 1 3 . 1 1 11 11 THR N N 11 113.789 113.789 119.517 -5.728 25789
580 1 3 . 1 1 11 11 THR HA H 11 4.510 4.510 4.626 -0.116 25789
581 1 3 . 1 1 11 11 THR C C 11 174.887 174.887 174.073 0.814 25789
582 1 3 . 1 1 11 11 THR CA C 11 61.918 61.918 62.323 -0.405 25789
583 1 3 . 1 1 11 11 THR CB C 11 69.543 69.543 68.660 0.883 25789
584 1 3 . 1 1 11 11 THR H H 11 8.272 8.272 8.418 -0.146 25789
585 1 3 . 1 1 12 12 ARG N N 12 120.274 120.274 120.950 -0.676 25789
586 1 3 . 1 1 12 12 ARG HA H 12 4.451 4.451 4.570 -0.119 25789
587 1 3 . 1 1 12 12 ARG C C 12 176.188 176.188 175.808 0.380 25789
588 1 3 . 1 1 12 12 ARG CA C 12 55.853 55.853 56.630 -0.777 25789
589 1 3 . 1 1 12 12 ARG CB C 12 29.473 29.473 31.571 -2.098 25789
590 1 3 . 1 1 12 12 ARG H H 12 8.585 8.585 8.630 -0.045 25789
591 1 3 . 1 1 13 13 GLU N N 13 122.312 122.312 118.387 3.925 25789
592 1 3 . 1 1 13 13 GLU HA H 13 4.206 4.206 4.327 -0.121 25789
593 1 3 . 1 1 13 13 GLU C C 13 175.542 175.542 174.494 1.048 25789
594 1 3 . 1 1 13 13 GLU CA C 13 57.303 57.303 55.759 1.544 25789
595 1 3 . 1 1 13 13 GLU CB C 13 30.201 30.201 31.081 -0.880 25789
596 1 3 . 1 1 13 13 GLU H H 13 8.069 8.069 7.979 0.090 25789
597 1 3 . 1 1 14 14 TRP N N 14 126.929 126.929 127.737 -0.808 25789
598 1 3 . 1 1 14 14 TRP HA H 14 5.125 5.125 4.862 0.263 25789
599 1 3 . 1 1 14 14 TRP C C 14 174.853 174.853 174.380 0.473 25789
600 1 3 . 1 1 14 14 TRP CA C 14 56.388 56.388 55.785 0.603 25789
601 1 3 . 1 1 14 14 TRP CB C 14 29.804 29.804 29.996 -0.192 25789
602 1 3 . 1 1 14 14 TRP H H 14 8.823 8.823 8.559 0.264 25789
603 1 3 . 1 1 15 15 TYR N N 15 129.982 129.982 125.004 4.978 25789
604 1 3 . 1 1 15 15 TYR HA H 15 4.522 4.522 4.784 -0.262 25789
605 1 3 . 1 1 15 15 TYR CB C 15 38.301 38.301 39.298 -0.997 25789
606 1 3 . 1 1 15 15 TYR H H 15 8.949 8.949 7.828 1.121 25789
607 1 3 . 1 1 16 16 PRO HA H 16 4.094 4.094 4.833 -0.739 25789
608 1 3 . 1 1 16 16 PRO C C 16 177.191 177.191 175.959 1.232 25789
609 1 3 . 1 1 16 16 PRO CA C 16 62.523 62.523 61.925 0.598 25789
610 1 3 . 1 1 16 16 PRO CB C 16 32.836 32.836 32.363 0.473 25789
611 1 3 . 1 1 17 17 VAL N N 17 114.809 114.809 115.217 -0.408 25789
612 1 3 . 1 1 17 17 VAL HA H 17 4.184 4.184 4.955 -0.771 25789
613 1 3 . 1 1 17 17 VAL C C 17 172.678 172.678 173.723 -1.045 25789
614 1 3 . 1 1 17 17 VAL CA C 17 60.249 60.249 58.560 1.689 25789
615 1 3 . 1 1 17 17 VAL CB C 17 36.086 36.086 35.665 0.421 25789
616 1 3 . 1 1 17 17 VAL H H 17 8.355 8.355 8.802 -0.447 25789
617 1 3 . 1 1 18 18 CYS N N 18 123.493 123.493 119.564 3.929 25789
618 1 3 . 1 1 18 18 CYS HA H 18 5.217 5.217 5.397 -0.180 25789
619 1 3 . 1 1 18 18 CYS C C 18 175.720 175.720 175.168 0.552 25789
620 1 3 . 1 1 18 18 CYS CA C 18 53.874 53.874 56.324 -2.450 25789
621 1 3 . 1 1 18 18 CYS CB C 18 38.042 38.042 29.424 8.618 25789
622 1 3 . 1 1 18 18 CYS H H 18 8.245 8.245 8.297 -0.052 25789
623 1 3 . 1 1 19 19 GLY N N 19 116.182 116.182 113.441 2.741 25789
624 1 3 . 1 1 19 19 GLY C C 19 176.356 176.356 174.880 1.476 25789
625 1 3 . 1 1 19 19 GLY CA C 19 45.350 45.350 44.728 0.622 25789
626 1 3 . 1 1 19 19 GLY H H 19 9.676 9.676 9.286 0.390 25789
627 1 3 . 1 1 20 20 SER N N 20 119.167 119.167 118.302 0.865 25789
628 1 3 . 1 1 20 20 SER HA H 20 4.147 4.147 4.253 -0.106 25789
629 1 3 . 1 1 20 20 SER C C 20 173.922 173.922 175.270 -1.348 25789
630 1 3 . 1 1 20 20 SER CA C 20 61.110 61.110 60.693 0.417 25789
631 1 3 . 1 1 20 20 SER CB C 20 62.104 62.104 63.172 -1.068 25789
632 1 3 . 1 1 20 20 SER H H 20 9.783 9.783 8.807 0.976 25789
633 1 3 . 1 1 21 21 ASP N N 21 120.973 120.973 118.900 2.073 25789
634 1 3 . 1 1 21 21 ASP HA H 21 4.512 4.512 4.606 -0.094 25789
635 1 3 . 1 1 21 21 ASP C C 21 177.137 177.137 176.461 0.676 25789
636 1 3 . 1 1 21 21 ASP CA C 21 53.514 53.514 54.076 -0.562 25789
637 1 3 . 1 1 21 21 ASP CB C 21 39.784 39.784 41.053 -1.269 25789
638 1 3 . 1 1 21 21 ASP H H 21 8.823 8.823 8.003 0.820 25789
639 1 3 . 1 1 22 22 GLY N N 22 109.625 109.625 107.145 2.480 25789
640 1 3 . 1 1 22 22 GLY C C 22 173.782 173.782 173.671 0.111 25789
641 1 3 . 1 1 22 22 GLY CA C 22 45.916 45.916 45.054 0.862 25789
642 1 3 . 1 1 22 22 GLY H H 22 8.448 8.448 8.323 0.125 25789
643 1 3 . 1 1 23 23 VAL N N 23 124.643 124.643 119.571 5.072 25789
644 1 3 . 1 1 23 23 VAL HA H 23 3.850 3.850 4.364 -0.514 25789
645 1 3 . 1 1 23 23 VAL CA C 23 61.747 61.747 59.679 2.068 25789
646 1 3 . 1 1 23 23 VAL CB C 23 33.045 33.045 34.594 -1.549 25789
647 1 3 . 1 1 23 23 VAL H H 23 7.755 7.755 7.464 0.291 25789
648 1 3 . 1 1 24 24 THR N N 24 124.128 124.128 125.558 -1.430 25789
649 1 3 . 1 1 24 24 THR HA H 24 4.751 4.751 4.517 0.234 25789
650 1 3 . 1 1 24 24 THR C C 24 174.674 174.674 173.624 1.050 25789
651 1 3 . 1 1 24 24 THR CA C 24 62.517 62.517 63.191 -0.674 25789
652 1 3 . 1 1 24 24 THR CB C 24 69.332 69.332 68.894 0.438 25789
653 1 3 . 1 1 24 24 THR H H 24 8.204 8.204 8.231 -0.027 25789
654 1 3 . 1 1 25 25 TYR N N 25 130.525 130.525 127.255 3.270 25789
655 1 3 . 1 1 25 25 TYR HA H 25 4.580 4.580 4.613 -0.033 25789
656 1 3 . 1 1 25 25 TYR C C 25 176.958 176.958 176.247 0.711 25789
657 1 3 . 1 1 25 25 TYR CA C 25 58.112 58.112 56.427 1.685 25789
658 1 3 . 1 1 25 25 TYR CB C 25 40.957 40.957 40.421 0.536 25789
659 1 3 . 1 1 25 25 TYR H H 25 9.528 9.528 9.050 0.478 25789
660 1 3 . 1 1 26 26 SER N N 26 118.275 118.275 118.541 -0.266 25789
661 1 3 . 1 1 26 26 SER HA H 26 3.688 3.688 3.624 0.064 25789
662 1 3 . 1 1 26 26 SER C C 26 172.371 172.371 172.749 -0.378 25789
663 1 3 . 1 1 26 26 SER CA C 26 61.334 61.334 61.458 -0.124 25789
664 1 3 . 1 1 26 26 SER CB C 26 63.624 63.624 63.649 -0.025 25789
665 1 3 . 1 1 26 26 SER H H 26 9.300 9.300 9.187 0.113 25789
666 1 3 . 1 1 27 27 ASN N N 27 109.467 109.467 111.337 -1.870 25789
667 1 3 . 1 1 27 27 ASN HA H 27 5.456 5.456 5.629 -0.173 25789
668 1 3 . 1 1 27 27 ASN CA C 27 51.882 51.882 51.767 0.115 25789
669 1 3 . 1 1 27 27 ASN CB C 27 36.669 36.669 38.606 -1.937 25789
670 1 3 . 1 1 27 27 ASN H H 27 7.341 7.341 7.451 -0.110 25789
671 1 3 . 1 1 28 28 PRO HA H 28 4.225 4.225 4.231 -0.006 25789
672 1 3 . 1 1 28 28 PRO C C 28 177.600 177.600 178.358 -0.758 25789
673 1 3 . 1 1 28 28 PRO CA C 28 65.794 65.794 66.017 -0.223 25789
674 1 3 . 1 1 28 28 PRO CB C 28 32.317 32.317 31.482 0.835 25789
675 1 3 . 1 1 29 29 CYS N N 29 120.684 120.684 116.977 3.707 25789
676 1 3 . 1 1 29 29 CYS HA H 29 4.371 4.371 4.109 0.262 25789
677 1 3 . 1 1 29 29 CYS C C 29 177.390 177.390 176.639 0.751 25789
678 1 3 . 1 1 29 29 CYS CA C 29 60.240 60.240 62.080 -1.840 25789
679 1 3 . 1 1 29 29 CYS CB C 29 36.524 36.524 26.439 10.085 25789
680 1 3 . 1 1 29 29 CYS H H 29 8.275 8.275 8.414 -0.139 25789
681 1 3 . 1 1 30 30 ASN N N 30 122.591 122.591 119.252 3.339 25789
682 1 3 . 1 1 30 30 ASN HA H 30 4.515 4.515 4.499 0.016 25789
683 1 3 . 1 1 30 30 ASN C C 30 178.484 178.484 177.193 1.291 25789
684 1 3 . 1 1 30 30 ASN CA C 30 57.010 57.010 56.349 0.661 25789
685 1 3 . 1 1 30 30 ASN CB C 30 39.559 39.559 38.757 0.802 25789
686 1 3 . 1 1 30 30 ASN H H 30 8.653 8.653 8.957 -0.304 25789
687 1 3 . 1 1 31 31 PHE N N 31 121.793 121.793 120.252 1.541 25789
688 1 3 . 1 1 31 31 PHE HA H 31 3.222 3.222 2.928 0.294 25789
689 1 3 . 1 1 31 31 PHE C C 31 175.893 175.893 176.937 -1.044 25789
690 1 3 . 1 1 31 31 PHE CA C 31 61.887 61.887 60.805 1.082 25789
691 1 3 . 1 1 31 31 PHE CB C 31 38.828 38.828 39.053 -0.225 25789
692 1 3 . 1 1 31 31 PHE H H 31 7.848 7.848 8.009 -0.161 25789
693 1 3 . 1 1 32 32 SER N N 32 116.875 116.875 115.813 1.062 25789
694 1 3 . 1 1 32 32 SER HA H 32 3.785 3.785 3.958 -0.173 25789
695 1 3 . 1 1 32 32 SER C C 32 175.874 175.874 176.428 -0.554 25789
696 1 3 . 1 1 32 32 SER CA C 32 61.991 61.991 62.081 -0.090 25789
697 1 3 . 1 1 32 32 SER CB C 32 62.697 62.697 63.154 -0.458 25789
698 1 3 . 1 1 32 32 SER H H 32 8.661 8.661 8.787 -0.126 25789
699 1 3 . 1 1 33 33 ALA N N 33 122.924 122.924 123.391 -0.467 25789
700 1 3 . 1 1 33 33 ALA HA H 33 3.877 3.877 4.350 -0.473 25789
701 1 3 . 1 1 33 33 ALA C C 33 178.824 178.824 179.361 -0.537 25789
702 1 3 . 1 1 33 33 ALA CA C 33 55.115 55.115 54.862 0.253 25789
703 1 3 . 1 1 33 33 ALA CB C 33 18.889 18.889 18.075 0.814 25789
704 1 3 . 1 1 33 33 ALA H H 33 7.977 7.977 8.148 -0.171 25789
705 1 3 . 1 1 34 34 GLN N N 34 119.261 119.261 118.932 0.329 25789
706 1 3 . 1 1 34 34 GLN HA H 34 3.595 3.595 3.972 -0.377 25789
707 1 3 . 1 1 34 34 GLN C C 34 178.745 178.745 178.594 0.151 25789
708 1 3 . 1 1 34 34 GLN CA C 34 58.880 58.880 58.534 0.346 25789
709 1 3 . 1 1 34 34 GLN CB C 34 27.349 27.349 28.332 -0.983 25789
710 1 3 . 1 1 34 34 GLN H H 34 7.177 7.177 7.847 -0.670 25789
711 1 3 . 1 1 35 35 GLN N N 35 122.346 122.346 118.066 4.280 25789
712 1 3 . 1 1 35 35 GLN HA H 35 4.008 4.008 4.026 -0.018 25789
713 1 3 . 1 1 35 35 GLN C C 35 176.948 176.948 178.384 -1.436 25789
714 1 3 . 1 1 35 35 GLN CA C 35 57.174 57.174 57.950 -0.776 25789
715 1 3 . 1 1 35 35 GLN CB C 35 29.865 29.865 28.184 1.681 25789
716 1 3 . 1 1 35 35 GLN H H 35 7.716 7.716 7.938 -0.222 25789
717 1 3 . 1 1 36 36 GLU N N 36 114.288 114.288 119.318 -5.030 25789
718 1 3 . 1 1 36 36 GLU HA H 36 3.891 3.891 3.983 -0.092 25789
719 1 3 . 1 1 36 36 GLU C C 36 179.191 179.191 178.413 0.778 25789
720 1 3 . 1 1 36 36 GLU CA C 36 58.444 58.444 58.887 -0.443 25789
721 1 3 . 1 1 36 36 GLU CB C 36 30.860 30.860 29.510 1.350 25789
722 1 3 . 1 1 36 36 GLU H H 36 8.239 8.239 8.170 0.069 25789
723 1 3 . 1 1 37 37 GLN N N 37 112.767 112.767 112.994 -0.227 25789
724 1 3 . 1 1 37 37 GLN HA H 37 4.382 4.382 4.506 -0.124 25789
725 1 3 . 1 1 37 37 GLN C C 37 177.125 177.125 175.781 1.344 25789
726 1 3 . 1 1 37 37 GLN CA C 37 56.848 56.848 55.594 1.254 25789
727 1 3 . 1 1 37 37 GLN CB C 37 30.442 30.442 29.121 1.321 25789
728 1 3 . 1 1 37 37 GLN H H 37 7.644 7.644 7.928 -0.284 25789
729 1 3 . 1 1 38 38 CYS N N 38 115.172 115.172 117.441 -2.269 25789
730 1 3 . 1 1 38 38 CYS HA H 38 5.033 5.033 5.042 -0.009 25789
731 1 3 . 1 1 38 38 CYS C C 38 174.561 174.561 174.029 0.532 25789
732 1 3 . 1 1 38 38 CYS CA C 38 54.813 54.813 58.989 -4.176 25789
733 1 3 . 1 1 38 38 CYS CB C 38 41.981 41.981 30.845 11.136 25789
734 1 3 . 1 1 38 38 CYS H H 38 7.704 7.704 7.954 -0.250 25789
735 1 3 . 1 1 39 39 ASP N N 39 118.112 118.112 121.487 -3.375 25789
736 1 3 . 1 1 39 39 ASP HA H 39 5.035 5.035 5.150 -0.115 25789
737 1 3 . 1 1 39 39 ASP CA C 39 51.652 51.652 51.354 0.298 25789
738 1 3 . 1 1 39 39 ASP CB C 39 41.995 41.995 42.453 -0.458 25789
739 1 3 . 1 1 39 39 ASP H H 39 7.824 7.824 7.904 -0.080 25789
740 1 3 . 1 1 40 40 PRO HA H 40 4.682 4.682 4.626 0.056 25789
741 1 3 . 1 1 40 40 PRO C C 40 177.751 177.751 177.012 0.739 25789
742 1 3 . 1 1 40 40 PRO CA C 40 63.531 63.531 63.768 -0.237 25789
743 1 3 . 1 1 40 40 PRO CB C 40 32.479 32.479 32.342 0.138 25789
744 1 3 . 1 1 41 41 ASN N N 41 114.538 114.538 115.488 -0.950 25789
745 1 3 . 1 1 41 41 ASN HA H 41 4.710 4.710 4.704 0.006 25789
746 1 3 . 1 1 41 41 ASN C C 41 175.877 175.877 175.785 0.092 25789
747 1 3 . 1 1 41 41 ASN CA C 41 53.533 53.533 53.664 -0.131 25789
748 1 3 . 1 1 41 41 ASN CB C 41 39.317 39.317 39.502 -0.185 25789
749 1 3 . 1 1 41 41 ASN H H 41 8.183 8.183 8.158 0.025 25789
750 1 3 . 1 1 42 42 ILE N N 42 117.609 117.609 117.845 -0.236 25789
751 1 3 . 1 1 42 42 ILE HA H 42 4.188 4.188 4.369 -0.181 25789
752 1 3 . 1 1 42 42 ILE C C 42 174.947 174.947 174.723 0.224 25789
753 1 3 . 1 1 42 42 ILE CA C 42 62.863 62.863 60.397 2.466 25789
754 1 3 . 1 1 42 42 ILE CB C 42 39.653 39.653 39.156 0.497 25789
755 1 3 . 1 1 42 42 ILE H H 42 7.260 7.260 7.519 -0.259 25789
756 1 3 . 1 1 43 43 THR N N 43 114.448 114.448 112.455 1.993 25789
757 1 3 . 1 1 43 43 THR HA H 43 4.814 4.814 4.818 -0.004 25789
758 1 3 . 1 1 43 43 THR C C 43 173.737 173.737 174.134 -0.397 25789
759 1 3 . 1 1 43 43 THR CA C 43 60.118 60.118 59.116 1.002 25789
760 1 3 . 1 1 43 43 THR CB C 43 72.559 72.559 71.514 1.045 25789
761 1 3 . 1 1 43 43 THR H H 43 8.828 8.828 8.136 0.692 25789
762 1 3 . 1 1 44 44 ILE N N 44 121.256 121.256 121.204 0.052 25789
763 1 3 . 1 1 44 44 ILE HA H 44 3.475 3.475 3.810 -0.335 25789
764 1 3 . 1 1 44 44 ILE C C 44 176.400 176.400 176.312 0.088 25789
765 1 3 . 1 1 44 44 ILE CA C 44 62.849 62.849 62.408 0.441 25789
766 1 3 . 1 1 44 44 ILE CB C 44 37.712 37.712 37.280 0.432 25789
767 1 3 . 1 1 44 44 ILE H H 44 8.487 8.487 8.384 0.103 25789
768 1 3 . 1 1 45 45 ALA N N 45 140.640 140.640 132.121 8.519 25789
769 1 3 . 1 1 45 45 ALA HA H 45 4.210 4.210 4.302 -0.092 25789
770 1 3 . 1 1 45 45 ALA C C 45 178.725 178.725 177.358 1.367 25789
771 1 3 . 1 1 45 45 ALA CA C 45 54.537 54.537 53.490 1.047 25789
772 1 3 . 1 1 45 45 ALA CB C 45 19.216 19.216 20.233 -1.018 25789
773 1 3 . 1 1 45 45 ALA H H 45 9.195 9.195 8.949 0.246 25789
774 1 3 . 1 1 46 46 HIS N N 46 106.909 106.909 109.801 -2.892 25789
775 1 3 . 1 1 46 46 HIS HA H 46 4.608 4.608 4.706 -0.098 25789
776 1 3 . 1 1 46 46 HIS C C 46 173.062 173.062 172.896 0.166 25789
777 1 3 . 1 1 46 46 HIS CA C 46 54.573 54.573 54.792 -0.219 25789
778 1 3 . 1 1 46 46 HIS CB C 46 29.351 29.351 30.430 -1.079 25789
779 1 3 . 1 1 46 46 HIS H H 46 7.240 7.240 7.334 -0.094 25789
780 1 3 . 1 1 47 47 MET N N 47 119.326 119.326 122.232 -2.906 25789
781 1 3 . 1 1 47 47 MET HA H 47 4.655 4.655 4.260 0.395 25789
782 1 3 . 1 1 47 47 MET C C 47 179.036 179.036 176.441 2.595 25789
783 1 3 . 1 1 47 47 MET CA C 47 54.965 54.965 55.429 -0.464 25789
784 1 3 . 1 1 47 47 MET CB C 47 31.458 31.458 32.619 -1.161 25789
785 1 3 . 1 1 47 47 MET H H 47 9.092 9.092 8.647 0.445 25789
786 1 3 . 1 1 48 48 GLY N N 48 114.963 114.963 113.302 1.661 25789
787 1 3 . 1 1 48 48 GLY C C 48 170.539 170.539 172.555 -2.016 25789
788 1 3 . 1 1 48 48 GLY CA C 48 44.288 44.288 44.215 0.073 25789
789 1 3 . 1 1 48 48 GLY H H 48 8.162 8.162 8.729 -0.567 25789
790 1 3 . 1 1 49 49 GLU N N 49 113.303 113.303 119.118 -5.815 25789
791 1 3 . 1 1 49 49 GLU HA H 49 3.971 3.971 4.130 -0.159 25789
792 1 3 . 1 1 49 49 GLU C C 49 178.243 178.243 175.485 2.758 25789
793 1 3 . 1 1 49 49 GLU CA C 49 56.770 56.770 55.767 1.003 25789
794 1 3 . 1 1 49 49 GLU CB C 49 30.475 30.475 30.395 0.080 25789
795 1 3 . 1 1 49 49 GLU H H 49 8.225 8.225 8.535 -0.310 25789
796 1 4 . 1 1 2 2 GLU N N 2 120.587 120.587 121.346 -0.759 25789
797 1 4 . 1 1 2 2 GLU HA H 2 4.778 4.778 4.126 0.652 25789
798 1 4 . 1 1 2 2 GLU CA C 2 56.919 56.919 57.738 -0.819 25789
799 1 4 . 1 1 2 2 GLU CB C 2 30.334 30.334 29.946 0.388 25789
800 1 4 . 1 1 2 2 GLU H H 2 8.777 8.777 8.764 0.013 25789
801 1 4 . 1 1 3 3 ASP N N 3 121.555 121.555 119.703 1.852 25789
802 1 4 . 1 1 3 3 ASP HA H 3 4.543 4.543 4.645 -0.102 25789
803 1 4 . 1 1 3 3 ASP H H 3 8.491 8.491 8.035 0.456 25789
804 1 4 . 1 1 4 4 CYS N N 4 122.792 122.792 121.542 1.250 25789
805 1 4 . 1 1 4 4 CYS HA H 4 4.587 4.587 4.778 -0.191 25789
806 1 4 . 1 1 4 4 CYS C C 4 173.506 173.506 173.310 0.196 25789
807 1 4 . 1 1 4 4 CYS CA C 4 57.905 57.905 57.195 0.710 25789
808 1 4 . 1 1 4 4 CYS CB C 4 38.220 38.220 29.571 8.649 25789
809 1 4 . 1 1 4 4 CYS H H 4 8.347 8.347 8.420 -0.073 25789
810 1 4 . 1 1 5 5 VAL N N 5 130.233 130.233 124.612 5.621 25789
811 1 4 . 1 1 5 5 VAL HA H 5 4.591 4.591 4.306 0.285 25789
812 1 4 . 1 1 5 5 VAL C C 5 175.872 175.872 175.285 0.587 25789
813 1 4 . 1 1 5 5 VAL CA C 5 61.756 61.756 61.941 -0.186 25789
814 1 4 . 1 1 5 5 VAL CB C 5 34.641 34.641 33.041 1.600 25789
815 1 4 . 1 1 5 5 VAL H H 5 8.597 8.597 8.341 0.256 25789
816 1 4 . 1 1 6 6 GLY N N 6 115.595 115.595 114.673 0.922 25789
817 1 4 . 1 1 6 6 GLY C C 6 173.454 173.454 172.626 0.828 25789
818 1 4 . 1 1 6 6 GLY CA C 6 45.527 45.527 44.525 1.002 25789
819 1 4 . 1 1 6 6 GLY H H 6 8.836 8.836 8.341 0.495 25789
820 1 4 . 1 1 7 7 ARG N N 7 124.372 124.372 123.509 0.863 25789
821 1 4 . 1 1 7 7 ARG HA H 7 4.637 4.637 4.442 0.195 25789
822 1 4 . 1 1 7 7 ARG C C 7 175.190 175.190 174.973 0.217 25789
823 1 4 . 1 1 7 7 ARG CA C 7 55.528 55.528 55.444 0.084 25789
824 1 4 . 1 1 7 7 ARG CB C 7 32.434 32.434 31.677 0.757 25789
825 1 4 . 1 1 7 7 ARG H H 7 8.760 8.760 8.361 0.399 25789
826 1 4 . 1 1 8 8 LYS N N 8 126.364 126.364 124.283 2.081 25789
827 1 4 . 1 1 8 8 LYS HA H 8 4.435 4.435 4.448 -0.013 25789
828 1 4 . 1 1 8 8 LYS C C 8 174.455 174.455 175.711 -1.256 25789
829 1 4 . 1 1 8 8 LYS CA C 8 55.630 55.630 54.737 0.893 25789
830 1 4 . 1 1 8 8 LYS CB C 8 36.088 36.088 34.259 1.829 25789
831 1 4 . 1 1 8 8 LYS H H 8 8.497 8.497 8.597 -0.100 25789
832 1 4 . 1 1 9 9 ALA N N 9 126.059 126.059 125.279 0.780 25789
833 1 4 . 1 1 9 9 ALA HA H 9 4.462 4.462 4.468 -0.006 25789
834 1 4 . 1 1 9 9 ALA C C 9 176.690 176.690 177.025 -0.335 25789
835 1 4 . 1 1 9 9 ALA CA C 9 52.255 52.255 51.737 0.518 25789
836 1 4 . 1 1 9 9 ALA CB C 9 17.072 17.072 19.015 -1.943 25789
837 1 4 . 1 1 9 9 ALA H H 9 8.339 8.339 8.380 -0.041 25789
838 1 4 . 1 1 10 10 CYS N N 10 123.013 123.013 122.247 0.766 25789
839 1 4 . 1 1 10 10 CYS HA H 10 5.070 5.070 4.954 0.116 25789
840 1 4 . 1 1 10 10 CYS C C 10 175.913 175.913 173.864 2.049 25789
841 1 4 . 1 1 10 10 CYS CA C 10 52.909 52.909 57.733 -4.824 25789
842 1 4 . 1 1 10 10 CYS CB C 10 41.080 41.080 30.709 10.370 25789
843 1 4 . 1 1 10 10 CYS H H 10 8.103 8.103 8.711 -0.608 25789
844 1 4 . 1 1 11 11 THR N N 11 113.789 113.789 118.166 -4.377 25789
845 1 4 . 1 1 11 11 THR HA H 11 4.510 4.510 4.573 -0.063 25789
846 1 4 . 1 1 11 11 THR C C 11 174.887 174.887 174.031 0.856 25789
847 1 4 . 1 1 11 11 THR CA C 11 61.918 61.918 62.892 -0.974 25789
848 1 4 . 1 1 11 11 THR CB C 11 69.543 69.543 69.431 0.112 25789
849 1 4 . 1 1 11 11 THR H H 11 8.272 8.272 8.364 -0.092 25789
850 1 4 . 1 1 12 12 ARG N N 12 120.274 120.274 123.136 -2.862 25789
851 1 4 . 1 1 12 12 ARG HA H 12 4.451 4.451 4.517 -0.066 25789
852 1 4 . 1 1 12 12 ARG C C 12 176.188 176.188 175.507 0.681 25789
853 1 4 . 1 1 12 12 ARG CA C 12 55.853 55.853 56.499 -0.646 25789
854 1 4 . 1 1 12 12 ARG CB C 12 29.473 29.473 31.770 -2.297 25789
855 1 4 . 1 1 12 12 ARG H H 12 8.585 8.585 8.893 -0.308 25789
856 1 4 . 1 1 13 13 GLU N N 13 122.312 122.312 117.632 4.680 25789
857 1 4 . 1 1 13 13 GLU HA H 13 4.206 4.206 4.349 -0.143 25789
858 1 4 . 1 1 13 13 GLU C C 13 175.542 175.542 174.414 1.128 25789
859 1 4 . 1 1 13 13 GLU CA C 13 57.303 57.303 55.377 1.926 25789
860 1 4 . 1 1 13 13 GLU CB C 13 30.201 30.201 32.235 -2.034 25789
861 1 4 . 1 1 13 13 GLU H H 13 8.069 8.069 7.808 0.261 25789
862 1 4 . 1 1 14 14 TRP N N 14 126.929 126.929 126.104 0.825 25789
863 1 4 . 1 1 14 14 TRP HA H 14 5.125 5.125 4.880 0.245 25789
864 1 4 . 1 1 14 14 TRP C C 14 174.853 174.853 174.196 0.657 25789
865 1 4 . 1 1 14 14 TRP CA C 14 56.388 56.388 55.826 0.562 25789
866 1 4 . 1 1 14 14 TRP CB C 14 29.804 29.804 29.673 0.131 25789
867 1 4 . 1 1 14 14 TRP H H 14 8.823 8.823 8.607 0.216 25789
868 1 4 . 1 1 15 15 TYR N N 15 129.982 129.982 126.705 3.277 25789
869 1 4 . 1 1 15 15 TYR HA H 15 4.522 4.522 4.741 -0.219 25789
870 1 4 . 1 1 15 15 TYR CB C 15 38.301 38.301 40.201 -1.900 25789
871 1 4 . 1 1 15 15 TYR H H 15 8.949 8.949 8.016 0.933 25789
872 1 4 . 1 1 16 16 PRO HA H 16 4.094 4.094 4.686 -0.592 25789
873 1 4 . 1 1 16 16 PRO C C 16 177.191 177.191 175.915 1.276 25789
874 1 4 . 1 1 16 16 PRO CA C 16 62.523 62.523 61.784 0.739 25789
875 1 4 . 1 1 16 16 PRO CB C 16 32.836 32.836 32.434 0.402 25789
876 1 4 . 1 1 17 17 VAL N N 17 114.809 114.809 114.824 -0.015 25789
877 1 4 . 1 1 17 17 VAL HA H 17 4.184 4.184 4.717 -0.533 25789
878 1 4 . 1 1 17 17 VAL C C 17 172.678 172.678 173.537 -0.859 25789
879 1 4 . 1 1 17 17 VAL CA C 17 60.249 60.249 59.152 1.097 25789
880 1 4 . 1 1 17 17 VAL CB C 17 36.086 36.086 35.303 0.783 25789
881 1 4 . 1 1 17 17 VAL H H 17 8.355 8.355 8.403 -0.048 25789
882 1 4 . 1 1 18 18 CYS N N 18 123.493 123.493 119.331 4.162 25789
883 1 4 . 1 1 18 18 CYS HA H 18 5.217 5.217 5.598 -0.381 25789
884 1 4 . 1 1 18 18 CYS C C 18 175.720 175.720 175.218 0.502 25789
885 1 4 . 1 1 18 18 CYS CA C 18 53.874 53.874 56.458 -2.584 25789
886 1 4 . 1 1 18 18 CYS CB C 18 38.042 38.042 30.008 8.034 25789
887 1 4 . 1 1 18 18 CYS H H 18 8.245 8.245 8.368 -0.123 25789
888 1 4 . 1 1 19 19 GLY N N 19 116.182 116.182 112.489 3.693 25789
889 1 4 . 1 1 19 19 GLY C C 19 176.356 176.356 175.325 1.031 25789
890 1 4 . 1 1 19 19 GLY CA C 19 45.350 45.350 44.331 1.019 25789
891 1 4 . 1 1 19 19 GLY H H 19 9.676 9.676 9.218 0.458 25789
892 1 4 . 1 1 20 20 SER N N 20 119.167 119.167 117.519 1.648 25789
893 1 4 . 1 1 20 20 SER HA H 20 4.147 4.147 4.247 -0.100 25789
894 1 4 . 1 1 20 20 SER C C 20 173.922 173.922 175.280 -1.358 25789
895 1 4 . 1 1 20 20 SER CA C 20 61.110 61.110 61.205 -0.095 25789
896 1 4 . 1 1 20 20 SER CB C 20 62.104 62.104 62.995 -0.891 25789
897 1 4 . 1 1 20 20 SER H H 20 9.783 9.783 8.675 1.108 25789
898 1 4 . 1 1 21 21 ASP N N 21 120.973 120.973 119.266 1.707 25789
899 1 4 . 1 1 21 21 ASP HA H 21 4.512 4.512 4.631 -0.119 25789
900 1 4 . 1 1 21 21 ASP C C 21 177.137 177.137 176.876 0.261 25789
901 1 4 . 1 1 21 21 ASP CA C 21 53.514 53.514 54.029 -0.515 25789
902 1 4 . 1 1 21 21 ASP CB C 21 39.784 39.784 41.047 -1.263 25789
903 1 4 . 1 1 21 21 ASP H H 21 8.823 8.823 7.867 0.956 25789
904 1 4 . 1 1 22 22 GLY N N 22 109.625 109.625 107.443 2.182 25789
905 1 4 . 1 1 22 22 GLY C C 22 173.782 173.782 173.788 -0.006 25789
906 1 4 . 1 1 22 22 GLY CA C 22 45.916 45.916 45.254 0.662 25789
907 1 4 . 1 1 22 22 GLY H H 22 8.448 8.448 8.352 0.096 25789
908 1 4 . 1 1 23 23 VAL N N 23 124.643 124.643 119.714 4.929 25789
909 1 4 . 1 1 23 23 VAL HA H 23 3.850 3.850 4.364 -0.514 25789
910 1 4 . 1 1 23 23 VAL CA C 23 61.747 61.747 59.939 1.808 25789
911 1 4 . 1 1 23 23 VAL CB C 23 33.045 33.045 34.497 -1.452 25789
912 1 4 . 1 1 23 23 VAL H H 23 7.755 7.755 7.463 0.292 25789
913 1 4 . 1 1 24 24 THR N N 24 124.128 124.128 125.363 -1.235 25789
914 1 4 . 1 1 24 24 THR HA H 24 4.751 4.751 4.361 0.390 25789
915 1 4 . 1 1 24 24 THR C C 24 174.674 174.674 173.650 1.024 25789
916 1 4 . 1 1 24 24 THR CA C 24 62.517 62.517 63.345 -0.828 25789
917 1 4 . 1 1 24 24 THR CB C 24 69.332 69.332 68.594 0.738 25789
918 1 4 . 1 1 24 24 THR H H 24 8.204 8.204 8.238 -0.034 25789
919 1 4 . 1 1 25 25 TYR N N 25 130.525 130.525 128.457 2.068 25789
920 1 4 . 1 1 25 25 TYR HA H 25 4.580 4.580 4.899 -0.319 25789
921 1 4 . 1 1 25 25 TYR C C 25 176.958 176.958 176.489 0.469 25789
922 1 4 . 1 1 25 25 TYR CA C 25 58.112 58.112 57.181 0.931 25789
923 1 4 . 1 1 25 25 TYR CB C 25 40.957 40.957 40.074 0.883 25789
924 1 4 . 1 1 25 25 TYR H H 25 9.528 9.528 8.958 0.570 25789
925 1 4 . 1 1 26 26 SER N N 26 118.275 118.275 118.396 -0.121 25789
926 1 4 . 1 1 26 26 SER HA H 26 3.688 3.688 3.920 -0.232 25789
927 1 4 . 1 1 26 26 SER C C 26 172.371 172.371 172.588 -0.217 25789
928 1 4 . 1 1 26 26 SER CA C 26 61.334 61.334 60.001 1.333 25789
929 1 4 . 1 1 26 26 SER CB C 26 63.624 63.624 63.485 0.139 25789
930 1 4 . 1 1 26 26 SER H H 26 9.300 9.300 9.449 -0.149 25789
931 1 4 . 1 1 27 27 ASN N N 27 109.467 109.467 110.682 -1.215 25789
932 1 4 . 1 1 27 27 ASN HA H 27 5.456 5.456 5.255 0.201 25789
933 1 4 . 1 1 27 27 ASN CA C 27 51.882 51.882 52.118 -0.236 25789
934 1 4 . 1 1 27 27 ASN CB C 27 36.669 36.669 37.546 -0.877 25789
935 1 4 . 1 1 27 27 ASN H H 27 7.341 7.341 7.290 0.051 25789
936 1 4 . 1 1 28 28 PRO HA H 28 4.225 4.225 4.184 0.041 25789
937 1 4 . 1 1 28 28 PRO C C 28 177.600 177.600 178.437 -0.837 25789
938 1 4 . 1 1 28 28 PRO CA C 28 65.794 65.794 66.011 -0.217 25789
939 1 4 . 1 1 28 28 PRO CB C 28 32.317 32.317 31.572 0.745 25789
940 1 4 . 1 1 29 29 CYS N N 29 120.684 120.684 111.393 9.291 25789
941 1 4 . 1 1 29 29 CYS HA H 29 4.371 4.371 4.210 0.161 25789
942 1 4 . 1 1 29 29 CYS C C 29 177.390 177.390 176.614 0.776 25789
943 1 4 . 1 1 29 29 CYS CA C 29 60.240 60.240 61.048 -0.808 25789
944 1 4 . 1 1 29 29 CYS CB C 29 36.524 36.524 26.172 10.352 25789
945 1 4 . 1 1 29 29 CYS H H 29 8.275 8.275 8.585 -0.310 25789
946 1 4 . 1 1 30 30 ASN N N 30 122.591 122.591 120.680 1.911 25789
947 1 4 . 1 1 30 30 ASN HA H 30 4.515 4.515 4.477 0.038 25789
948 1 4 . 1 1 30 30 ASN C C 30 178.484 178.484 177.136 1.348 25789
949 1 4 . 1 1 30 30 ASN CA C 30 57.010 57.010 56.589 0.421 25789
950 1 4 . 1 1 30 30 ASN CB C 30 39.559 39.559 38.674 0.885 25789
951 1 4 . 1 1 30 30 ASN H H 30 8.653 8.653 7.959 0.694 25789
952 1 4 . 1 1 31 31 PHE N N 31 121.793 121.793 120.295 1.498 25789
953 1 4 . 1 1 31 31 PHE HA H 31 3.222 3.222 2.752 0.470 25789
954 1 4 . 1 1 31 31 PHE C C 31 175.893 175.893 176.951 -1.058 25789
955 1 4 . 1 1 31 31 PHE CA C 31 61.887 61.887 60.938 0.949 25789
956 1 4 . 1 1 31 31 PHE CB C 31 38.828 38.828 38.783 0.045 25789
957 1 4 . 1 1 31 31 PHE H H 31 7.848 7.848 7.782 0.066 25789
958 1 4 . 1 1 32 32 SER N N 32 116.875 116.875 115.527 1.348 25789
959 1 4 . 1 1 32 32 SER HA H 32 3.785 3.785 4.027 -0.242 25789
960 1 4 . 1 1 32 32 SER C C 32 175.874 175.874 176.498 -0.624 25789
961 1 4 . 1 1 32 32 SER CA C 32 61.991 61.991 61.353 0.638 25789
962 1 4 . 1 1 32 32 SER CB C 32 62.697 62.697 62.915 -0.218 25789
963 1 4 . 1 1 32 32 SER H H 32 8.661 8.661 8.502 0.159 25789
964 1 4 . 1 1 33 33 ALA N N 33 122.924 122.924 123.227 -0.303 25789
965 1 4 . 1 1 33 33 ALA HA H 33 3.877 3.877 4.313 -0.436 25789
966 1 4 . 1 1 33 33 ALA C C 33 178.824 178.824 179.496 -0.672 25789
967 1 4 . 1 1 33 33 ALA CA C 33 55.115 55.115 55.186 -0.071 25789
968 1 4 . 1 1 33 33 ALA CB C 33 18.889 18.889 18.182 0.707 25789
969 1 4 . 1 1 33 33 ALA H H 33 7.977 7.977 8.347 -0.370 25789
970 1 4 . 1 1 34 34 GLN N N 34 119.261 119.261 119.019 0.242 25789
971 1 4 . 1 1 34 34 GLN HA H 34 3.595 3.595 4.011 -0.416 25789
972 1 4 . 1 1 34 34 GLN C C 34 178.745 178.745 178.365 0.380 25789
973 1 4 . 1 1 34 34 GLN CA C 34 58.880 58.880 58.637 0.243 25789
974 1 4 . 1 1 34 34 GLN CB C 34 27.349 27.349 28.544 -1.195 25789
975 1 4 . 1 1 34 34 GLN H H 34 7.177 7.177 7.935 -0.758 25789
976 1 4 . 1 1 35 35 GLN N N 35 122.346 122.346 116.919 5.427 25789
977 1 4 . 1 1 35 35 GLN HA H 35 4.008 4.008 4.148 -0.140 25789
978 1 4 . 1 1 35 35 GLN C C 35 176.948 176.948 177.401 -0.453 25789
979 1 4 . 1 1 35 35 GLN CA C 35 57.174 57.174 58.181 -1.007 25789
980 1 4 . 1 1 35 35 GLN CB C 35 29.865 29.865 28.867 0.998 25789
981 1 4 . 1 1 35 35 GLN H H 35 7.716 7.716 7.629 0.087 25789
982 1 4 . 1 1 36 36 GLU N N 36 114.288 114.288 117.026 -2.738 25789
983 1 4 . 1 1 36 36 GLU HA H 36 3.891 3.891 4.036 -0.145 25789
984 1 4 . 1 1 36 36 GLU C C 36 179.191 179.191 177.985 1.206 25789
985 1 4 . 1 1 36 36 GLU CA C 36 58.444 58.444 58.380 0.064 25789
986 1 4 . 1 1 36 36 GLU CB C 36 30.860 30.860 29.648 1.212 25789
987 1 4 . 1 1 36 36 GLU H H 36 8.239 8.239 7.926 0.313 25789
988 1 4 . 1 1 37 37 GLN N N 37 112.767 112.767 115.163 -2.396 25789
989 1 4 . 1 1 37 37 GLN HA H 37 4.382 4.382 4.348 0.034 25789
990 1 4 . 1 1 37 37 GLN C C 37 177.125 177.125 177.350 -0.225 25789
991 1 4 . 1 1 37 37 GLN CA C 37 56.848 56.848 57.424 -0.576 25789
992 1 4 . 1 1 37 37 GLN CB C 37 30.442 30.442 30.205 0.237 25789
993 1 4 . 1 1 37 37 GLN H H 37 7.644 7.644 7.845 -0.201 25789
994 1 4 . 1 1 38 38 CYS N N 38 115.172 115.172 118.259 -3.087 25789
995 1 4 . 1 1 38 38 CYS HA H 38 5.033 5.033 4.975 0.058 25789
996 1 4 . 1 1 38 38 CYS C C 38 174.561 174.561 174.592 -0.031 25789
997 1 4 . 1 1 38 38 CYS CA C 38 54.813 54.813 59.266 -4.453 25789
998 1 4 . 1 1 38 38 CYS CB C 38 41.981 41.981 29.075 12.906 25789
999 1 4 . 1 1 38 38 CYS H H 38 7.704 7.704 8.262 -0.558 25789
1000 1 4 . 1 1 39 39 ASP N N 39 118.112 118.112 120.397 -2.285 25789
1001 1 4 . 1 1 39 39 ASP HA H 39 5.035 5.035 5.099 -0.064 25789
1002 1 4 . 1 1 39 39 ASP CA C 39 51.652 51.652 51.038 0.614 25789
1003 1 4 . 1 1 39 39 ASP CB C 39 41.995 41.995 42.310 -0.315 25789
1004 1 4 . 1 1 39 39 ASP H H 39 7.824 7.824 7.771 0.053 25789
1005 1 4 . 1 1 40 40 PRO HA H 40 4.682 4.682 4.394 0.288 25789
1006 1 4 . 1 1 40 40 PRO C C 40 177.751 177.751 176.975 0.776 25789
1007 1 4 . 1 1 40 40 PRO CA C 40 63.531 63.531 63.694 -0.164 25789
1008 1 4 . 1 1 40 40 PRO CB C 40 32.479 32.479 32.106 0.373 25789
1009 1 4 . 1 1 41 41 ASN N N 41 114.538 114.538 114.801 -0.263 25789
1010 1 4 . 1 1 41 41 ASN HA H 41 4.710 4.710 4.636 0.074 25789
1011 1 4 . 1 1 41 41 ASN C C 41 175.877 175.877 175.761 0.116 25789
1012 1 4 . 1 1 41 41 ASN CA C 41 53.533 53.533 54.216 -0.683 25789
1013 1 4 . 1 1 41 41 ASN CB C 41 39.317 39.317 39.233 0.084 25789
1014 1 4 . 1 1 41 41 ASN H H 41 8.183 8.183 8.069 0.114 25789
1015 1 4 . 1 1 42 42 ILE N N 42 117.609 117.609 117.035 0.574 25789
1016 1 4 . 1 1 42 42 ILE HA H 42 4.188 4.188 4.402 -0.214 25789
1017 1 4 . 1 1 42 42 ILE C C 42 174.947 174.947 174.871 0.076 25789
1018 1 4 . 1 1 42 42 ILE CA C 42 62.863 62.863 60.292 2.571 25789
1019 1 4 . 1 1 42 42 ILE CB C 42 39.653 39.653 39.180 0.473 25789
1020 1 4 . 1 1 42 42 ILE H H 42 7.260 7.260 7.264 -0.004 25789
1021 1 4 . 1 1 43 43 THR N N 43 114.448 114.448 117.069 -2.621 25789
1022 1 4 . 1 1 43 43 THR HA H 43 4.814 4.814 4.886 -0.072 25789
1023 1 4 . 1 1 43 43 THR C C 43 173.737 173.737 173.960 -0.223 25789
1024 1 4 . 1 1 43 43 THR CA C 43 60.118 60.118 60.011 0.107 25789
1025 1 4 . 1 1 43 43 THR CB C 43 72.559 72.559 71.724 0.835 25789
1026 1 4 . 1 1 43 43 THR H H 43 8.828 8.828 8.463 0.365 25789
1027 1 4 . 1 1 44 44 ILE N N 44 121.256 121.256 122.027 -0.771 25789
1028 1 4 . 1 1 44 44 ILE HA H 44 3.475 3.475 3.940 -0.465 25789
1029 1 4 . 1 1 44 44 ILE C C 44 176.400 176.400 176.552 -0.152 25789
1030 1 4 . 1 1 44 44 ILE CA C 44 62.849 62.849 62.458 0.391 25789
1031 1 4 . 1 1 44 44 ILE CB C 44 37.712 37.712 37.450 0.262 25789
1032 1 4 . 1 1 44 44 ILE H H 44 8.487 8.487 8.543 -0.056 25789
1033 1 4 . 1 1 45 45 ALA N N 45 140.640 140.640 132.092 8.548 25789
1034 1 4 . 1 1 45 45 ALA HA H 45 4.210 4.210 4.283 -0.073 25789
1035 1 4 . 1 1 45 45 ALA C C 45 178.725 178.725 177.310 1.415 25789
1036 1 4 . 1 1 45 45 ALA CA C 45 54.537 54.537 53.687 0.850 25789
1037 1 4 . 1 1 45 45 ALA CB C 45 19.216 19.216 20.145 -0.929 25789
1038 1 4 . 1 1 45 45 ALA H H 45 9.195 9.195 9.012 0.183 25789
1039 1 4 . 1 1 46 46 HIS N N 46 106.909 106.909 109.905 -2.996 25789
1040 1 4 . 1 1 46 46 HIS HA H 46 4.608 4.608 4.702 -0.094 25789
1041 1 4 . 1 1 46 46 HIS C C 46 173.062 173.062 173.176 -0.114 25789
1042 1 4 . 1 1 46 46 HIS CA C 46 54.573 54.573 54.635 -0.062 25789
1043 1 4 . 1 1 46 46 HIS CB C 46 29.351 29.351 30.029 -0.678 25789
1044 1 4 . 1 1 46 46 HIS H H 46 7.240 7.240 7.376 -0.136 25789
1045 1 4 . 1 1 47 47 MET N N 47 119.326 119.326 122.523 -3.197 25789
1046 1 4 . 1 1 47 47 MET HA H 47 4.655 4.655 4.120 0.535 25789
1047 1 4 . 1 1 47 47 MET C C 47 179.036 179.036 176.455 2.581 25789
1048 1 4 . 1 1 47 47 MET CA C 47 54.965 54.965 56.150 -1.185 25789
1049 1 4 . 1 1 47 47 MET CB C 47 31.458 31.458 32.162 -0.704 25789
1050 1 4 . 1 1 47 47 MET H H 47 9.092 9.092 8.673 0.419 25789
1051 1 4 . 1 1 48 48 GLY N N 48 114.963 114.963 115.116 -0.153 25789
1052 1 4 . 1 1 48 48 GLY C C 48 170.539 170.539 172.610 -2.071 25789
1053 1 4 . 1 1 48 48 GLY CA C 48 44.288 44.288 44.593 -0.305 25789
1054 1 4 . 1 1 48 48 GLY H H 48 8.162 8.162 8.789 -0.627 25789
1055 1 4 . 1 1 49 49 GLU N N 49 113.303 113.303 120.178 -6.875 25789
1056 1 4 . 1 1 49 49 GLU HA H 49 3.971 3.971 4.402 -0.431 25789
1057 1 4 . 1 1 49 49 GLU C C 49 178.243 178.243 175.831 2.412 25789
1058 1 4 . 1 1 49 49 GLU CA C 49 56.770 56.770 55.405 1.365 25789
1059 1 4 . 1 1 49 49 GLU CB C 49 30.475 30.475 30.144 0.331 25789
1060 1 4 . 1 1 49 49 GLU H H 49 8.225 8.225 8.212 0.013 25789
1061 1 5 . 1 1 2 2 GLU N N 2 120.587 120.587 119.845 0.742 25789
1062 1 5 . 1 1 2 2 GLU HA H 2 4.778 4.778 4.552 0.226 25789
1063 1 5 . 1 1 2 2 GLU CA C 2 56.919 56.919 56.917 0.002 25789
1064 1 5 . 1 1 2 2 GLU CB C 2 30.334 30.334 31.223 -0.888 25789
1065 1 5 . 1 1 2 2 GLU H H 2 8.777 8.777 8.363 0.414 25789
1066 1 5 . 1 1 3 3 ASP N N 3 121.555 121.555 119.692 1.863 25789
1067 1 5 . 1 1 3 3 ASP HA H 3 4.543 4.543 4.848 -0.305 25789
1068 1 5 . 1 1 3 3 ASP H H 3 8.491 8.491 8.212 0.279 25789
1069 1 5 . 1 1 4 4 CYS N N 4 122.792 122.792 121.016 1.776 25789
1070 1 5 . 1 1 4 4 CYS HA H 4 4.587 4.587 4.746 -0.159 25789
1071 1 5 . 1 1 4 4 CYS C C 4 173.506 173.506 173.635 -0.129 25789
1072 1 5 . 1 1 4 4 CYS CA C 4 57.905 57.905 57.233 0.673 25789
1073 1 5 . 1 1 4 4 CYS CB C 4 38.220 38.220 29.491 8.729 25789
1074 1 5 . 1 1 4 4 CYS H H 4 8.347 8.347 8.474 -0.127 25789
1075 1 5 . 1 1 5 5 VAL N N 5 130.233 130.233 124.906 5.327 25789
1076 1 5 . 1 1 5 5 VAL HA H 5 4.591 4.591 4.363 0.228 25789
1077 1 5 . 1 1 5 5 VAL C C 5 175.872 175.872 176.308 -0.436 25789
1078 1 5 . 1 1 5 5 VAL CA C 5 61.756 61.756 61.978 -0.222 25789
1079 1 5 . 1 1 5 5 VAL CB C 5 34.641 34.641 32.710 1.931 25789
1080 1 5 . 1 1 5 5 VAL H H 5 8.597 8.597 8.411 0.186 25789
1081 1 5 . 1 1 6 6 GLY N N 6 115.595 115.595 115.952 -0.357 25789
1082 1 5 . 1 1 6 6 GLY C C 6 173.454 173.454 172.749 0.705 25789
1083 1 5 . 1 1 6 6 GLY CA C 6 45.527 45.527 44.703 0.825 25789
1084 1 5 . 1 1 6 6 GLY H H 6 8.836 8.836 8.319 0.517 25789
1085 1 5 . 1 1 7 7 ARG N N 7 124.372 124.372 123.041 1.331 25789
1086 1 5 . 1 1 7 7 ARG HA H 7 4.637 4.637 4.552 0.085 25789
1087 1 5 . 1 1 7 7 ARG C C 7 175.190 175.190 174.843 0.347 25789
1088 1 5 . 1 1 7 7 ARG CA C 7 55.528 55.528 55.520 0.008 25789
1089 1 5 . 1 1 7 7 ARG CB C 7 32.434 32.434 31.686 0.748 25789
1090 1 5 . 1 1 7 7 ARG H H 7 8.760 8.760 8.389 0.371 25789
1091 1 5 . 1 1 8 8 LYS N N 8 126.364 126.364 124.786 1.578 25789
1092 1 5 . 1 1 8 8 LYS HA H 8 4.435 4.435 4.481 -0.046 25789
1093 1 5 . 1 1 8 8 LYS C C 8 174.455 174.455 175.607 -1.152 25789
1094 1 5 . 1 1 8 8 LYS CA C 8 55.630 55.630 54.996 0.634 25789
1095 1 5 . 1 1 8 8 LYS CB C 8 36.088 36.088 33.657 2.431 25789
1096 1 5 . 1 1 8 8 LYS H H 8 8.497 8.497 8.695 -0.198 25789
1097 1 5 . 1 1 9 9 ALA N N 9 126.059 126.059 126.003 0.056 25789
1098 1 5 . 1 1 9 9 ALA HA H 9 4.462 4.462 4.330 0.132 25789
1099 1 5 . 1 1 9 9 ALA C C 9 176.690 176.690 176.746 -0.056 25789
1100 1 5 . 1 1 9 9 ALA CA C 9 52.255 52.255 52.289 -0.034 25789
1101 1 5 . 1 1 9 9 ALA CB C 9 17.072 17.072 18.832 -1.760 25789
1102 1 5 . 1 1 9 9 ALA H H 9 8.339 8.339 8.387 -0.048 25789
1103 1 5 . 1 1 10 10 CYS N N 10 123.013 123.013 123.801 -0.788 25789
1104 1 5 . 1 1 10 10 CYS HA H 10 5.070 5.070 4.833 0.237 25789
1105 1 5 . 1 1 10 10 CYS C C 10 175.913 175.913 173.032 2.881 25789
1106 1 5 . 1 1 10 10 CYS CA C 10 52.909 52.909 58.609 -5.700 25789
1107 1 5 . 1 1 10 10 CYS CB C 10 41.080 41.080 30.015 11.065 25789
1108 1 5 . 1 1 10 10 CYS H H 10 8.103 8.103 8.603 -0.500 25789
1109 1 5 . 1 1 11 11 THR N N 11 113.789 113.789 115.391 -1.602 25789
1110 1 5 . 1 1 11 11 THR HA H 11 4.510 4.510 4.626 -0.116 25789
1111 1 5 . 1 1 11 11 THR C C 11 174.887 174.887 174.567 0.320 25789
1112 1 5 . 1 1 11 11 THR CA C 11 61.918 61.918 62.329 -0.411 25789
1113 1 5 . 1 1 11 11 THR CB C 11 69.543 69.543 68.811 0.732 25789
1114 1 5 . 1 1 11 11 THR H H 11 8.272 8.272 8.305 -0.033 25789
1115 1 5 . 1 1 12 12 ARG N N 12 120.274 120.274 120.164 0.110 25789
1116 1 5 . 1 1 12 12 ARG HA H 12 4.451 4.451 4.297 0.154 25789
1117 1 5 . 1 1 12 12 ARG C C 12 176.188 176.188 176.218 -0.030 25789
1118 1 5 . 1 1 12 12 ARG CA C 12 55.853 55.853 57.494 -1.641 25789
1119 1 5 . 1 1 12 12 ARG CB C 12 29.473 29.473 30.906 -1.433 25789
1120 1 5 . 1 1 12 12 ARG H H 12 8.585 8.585 8.633 -0.048 25789
1121 1 5 . 1 1 13 13 GLU N N 13 122.312 122.312 117.543 4.769 25789
1122 1 5 . 1 1 13 13 GLU HA H 13 4.206 4.206 4.304 -0.098 25789
1123 1 5 . 1 1 13 13 GLU C C 13 175.542 175.542 174.146 1.396 25789
1124 1 5 . 1 1 13 13 GLU CA C 13 57.303 57.303 54.898 2.405 25789
1125 1 5 . 1 1 13 13 GLU CB C 13 30.201 30.201 31.879 -1.678 25789
1126 1 5 . 1 1 13 13 GLU H H 13 8.069 8.069 7.643 0.426 25789
1127 1 5 . 1 1 14 14 TRP N N 14 126.929 126.929 127.280 -0.351 25789
1128 1 5 . 1 1 14 14 TRP HA H 14 5.125 5.125 4.996 0.129 25789
1129 1 5 . 1 1 14 14 TRP C C 14 174.853 174.853 174.571 0.282 25789
1130 1 5 . 1 1 14 14 TRP CA C 14 56.388 56.388 55.445 0.943 25789
1131 1 5 . 1 1 14 14 TRP CB C 14 29.804 29.804 30.050 -0.246 25789
1132 1 5 . 1 1 14 14 TRP H H 14 8.823 8.823 8.508 0.315 25789
1133 1 5 . 1 1 15 15 TYR N N 15 129.982 129.982 126.567 3.415 25789
1134 1 5 . 1 1 15 15 TYR HA H 15 4.522 4.522 4.789 -0.267 25789
1135 1 5 . 1 1 15 15 TYR CB C 15 38.301 38.301 39.618 -1.317 25789
1136 1 5 . 1 1 15 15 TYR H H 15 8.949 8.949 7.720 1.229 25789
1137 1 5 . 1 1 16 16 PRO HA H 16 4.094 4.094 4.772 -0.678 25789
1138 1 5 . 1 1 16 16 PRO C C 16 177.191 177.191 175.974 1.217 25789
1139 1 5 . 1 1 16 16 PRO CA C 16 62.523 62.523 61.729 0.794 25789
1140 1 5 . 1 1 16 16 PRO CB C 16 32.836 32.836 32.551 0.285 25789
1141 1 5 . 1 1 17 17 VAL N N 17 114.809 114.809 116.142 -1.333 25789
1142 1 5 . 1 1 17 17 VAL HA H 17 4.184 4.184 4.788 -0.604 25789
1143 1 5 . 1 1 17 17 VAL C C 17 172.678 172.678 173.663 -0.985 25789
1144 1 5 . 1 1 17 17 VAL CA C 17 60.249 60.249 59.012 1.237 25789
1145 1 5 . 1 1 17 17 VAL CB C 17 36.086 36.086 34.870 1.216 25789
1146 1 5 . 1 1 17 17 VAL H H 17 8.355 8.355 8.705 -0.350 25789
1147 1 5 . 1 1 18 18 CYS N N 18 123.493 123.493 118.954 4.539 25789
1148 1 5 . 1 1 18 18 CYS HA H 18 5.217 5.217 5.473 -0.256 25789
1149 1 5 . 1 1 18 18 CYS C C 18 175.720 175.720 174.861 0.859 25789
1150 1 5 . 1 1 18 18 CYS CA C 18 53.874 53.874 56.311 -2.437 25789
1151 1 5 . 1 1 18 18 CYS CB C 18 38.042 38.042 30.166 7.876 25789
1152 1 5 . 1 1 18 18 CYS H H 18 8.245 8.245 8.339 -0.094 25789
1153 1 5 . 1 1 19 19 GLY N N 19 116.182 116.182 112.600 3.582 25789
1154 1 5 . 1 1 19 19 GLY C C 19 176.356 176.356 175.279 1.077 25789
1155 1 5 . 1 1 19 19 GLY CA C 19 45.350 45.350 44.254 1.096 25789
1156 1 5 . 1 1 19 19 GLY H H 19 9.676 9.676 9.276 0.400 25789
1157 1 5 . 1 1 20 20 SER N N 20 119.167 119.167 118.501 0.666 25789
1158 1 5 . 1 1 20 20 SER HA H 20 4.147 4.147 4.214 -0.067 25789
1159 1 5 . 1 1 20 20 SER C C 20 173.922 173.922 175.261 -1.339 25789
1160 1 5 . 1 1 20 20 SER CA C 20 61.110 61.110 61.474 -0.363 25789
1161 1 5 . 1 1 20 20 SER CB C 20 62.104 62.104 63.058 -0.954 25789
1162 1 5 . 1 1 20 20 SER H H 20 9.783 9.783 8.692 1.091 25789
1163 1 5 . 1 1 21 21 ASP N N 21 120.973 120.973 119.343 1.630 25789
1164 1 5 . 1 1 21 21 ASP HA H 21 4.512 4.512 4.623 -0.111 25789
1165 1 5 . 1 1 21 21 ASP C C 21 177.137 177.137 176.818 0.319 25789
1166 1 5 . 1 1 21 21 ASP CA C 21 53.514 53.514 54.130 -0.616 25789
1167 1 5 . 1 1 21 21 ASP CB C 21 39.784 39.784 41.018 -1.234 25789
1168 1 5 . 1 1 21 21 ASP H H 21 8.823 8.823 7.893 0.930 25789
1169 1 5 . 1 1 22 22 GLY N N 22 109.625 109.625 107.298 2.327 25789
1170 1 5 . 1 1 22 22 GLY C C 22 173.782 173.782 173.735 0.047 25789
1171 1 5 . 1 1 22 22 GLY CA C 22 45.916 45.916 45.186 0.730 25789
1172 1 5 . 1 1 22 22 GLY H H 22 8.448 8.448 8.333 0.115 25789
1173 1 5 . 1 1 23 23 VAL N N 23 124.643 124.643 119.428 5.215 25789
1174 1 5 . 1 1 23 23 VAL HA H 23 3.850 3.850 4.383 -0.533 25789
1175 1 5 . 1 1 23 23 VAL CA C 23 61.747 61.747 59.752 1.996 25789
1176 1 5 . 1 1 23 23 VAL CB C 23 33.045 33.045 34.637 -1.592 25789
1177 1 5 . 1 1 23 23 VAL H H 23 7.755 7.755 7.466 0.289 25789
1178 1 5 . 1 1 24 24 THR N N 24 124.128 124.128 125.661 -1.533 25789
1179 1 5 . 1 1 24 24 THR HA H 24 4.751 4.751 4.537 0.214 25789
1180 1 5 . 1 1 24 24 THR C C 24 174.674 174.674 173.649 1.025 25789
1181 1 5 . 1 1 24 24 THR CA C 24 62.517 62.517 63.298 -0.781 25789
1182 1 5 . 1 1 24 24 THR CB C 24 69.332 69.332 68.873 0.459 25789
1183 1 5 . 1 1 24 24 THR H H 24 8.204 8.204 8.260 -0.056 25789
1184 1 5 . 1 1 25 25 TYR N N 25 130.525 130.525 128.384 2.141 25789
1185 1 5 . 1 1 25 25 TYR HA H 25 4.580 4.580 4.858 -0.278 25789
1186 1 5 . 1 1 25 25 TYR C C 25 176.958 176.958 176.585 0.373 25789
1187 1 5 . 1 1 25 25 TYR CA C 25 58.112 58.112 56.690 1.422 25789
1188 1 5 . 1 1 25 25 TYR CB C 25 40.957 40.957 40.189 0.768 25789
1189 1 5 . 1 1 25 25 TYR H H 25 9.528 9.528 8.968 0.560 25789
1190 1 5 . 1 1 26 26 SER N N 26 118.275 118.275 119.333 -1.058 25789
1191 1 5 . 1 1 26 26 SER HA H 26 3.688 3.688 3.606 0.082 25789
1192 1 5 . 1 1 26 26 SER C C 26 172.371 172.371 172.937 -0.566 25789
1193 1 5 . 1 1 26 26 SER CA C 26 61.334 61.334 61.075 0.259 25789
1194 1 5 . 1 1 26 26 SER CB C 26 63.624 63.624 63.716 -0.092 25789
1195 1 5 . 1 1 26 26 SER H H 26 9.300 9.300 9.509 -0.209 25789
1196 1 5 . 1 1 27 27 ASN N N 27 109.467 109.467 110.733 -1.266 25789
1197 1 5 . 1 1 27 27 ASN HA H 27 5.456 5.456 5.497 -0.042 25789
1198 1 5 . 1 1 27 27 ASN CA C 27 51.882 51.882 52.207 -0.325 25789
1199 1 5 . 1 1 27 27 ASN CB C 27 36.669 36.669 38.721 -2.052 25789
1200 1 5 . 1 1 27 27 ASN H H 27 7.341 7.341 7.450 -0.109 25789
1201 1 5 . 1 1 28 28 PRO HA H 28 4.225 4.225 4.125 0.100 25789
1202 1 5 . 1 1 28 28 PRO C C 28 177.600 177.600 178.332 -0.732 25789
1203 1 5 . 1 1 28 28 PRO CA C 28 65.794 65.794 65.981 -0.187 25789
1204 1 5 . 1 1 28 28 PRO CB C 28 32.317 32.317 31.609 0.708 25789
1205 1 5 . 1 1 29 29 CYS N N 29 120.684 120.684 112.679 8.005 25789
1206 1 5 . 1 1 29 29 CYS HA H 29 4.371 4.371 4.128 0.243 25789
1207 1 5 . 1 1 29 29 CYS C C 29 177.390 177.390 176.785 0.605 25789
1208 1 5 . 1 1 29 29 CYS CA C 29 60.240 60.240 62.033 -1.794 25789
1209 1 5 . 1 1 29 29 CYS CB C 29 36.524 36.524 25.954 10.570 25789
1210 1 5 . 1 1 29 29 CYS H H 29 8.275 8.275 8.534 -0.259 25789
1211 1 5 . 1 1 30 30 ASN N N 30 122.591 122.591 120.741 1.850 25789
1212 1 5 . 1 1 30 30 ASN HA H 30 4.515 4.515 4.446 0.069 25789
1213 1 5 . 1 1 30 30 ASN C C 30 178.484 178.484 177.000 1.484 25789
1214 1 5 . 1 1 30 30 ASN CA C 30 57.010 57.010 56.479 0.531 25789
1215 1 5 . 1 1 30 30 ASN CB C 30 39.559 39.559 38.737 0.822 25789
1216 1 5 . 1 1 30 30 ASN H H 30 8.653 8.653 7.812 0.841 25789
1217 1 5 . 1 1 31 31 PHE N N 31 121.793 121.793 120.797 0.996 25789
1218 1 5 . 1 1 31 31 PHE HA H 31 3.222 3.222 2.994 0.228 25789
1219 1 5 . 1 1 31 31 PHE C C 31 175.893 175.893 176.953 -1.060 25789
1220 1 5 . 1 1 31 31 PHE CA C 31 61.887 61.887 60.634 1.253 25789
1221 1 5 . 1 1 31 31 PHE CB C 31 38.828 38.828 39.043 -0.215 25789
1222 1 5 . 1 1 31 31 PHE H H 31 7.848 7.848 7.799 0.049 25789
1223 1 5 . 1 1 32 32 SER N N 32 116.875 116.875 115.286 1.589 25789
1224 1 5 . 1 1 32 32 SER HA H 32 3.785 3.785 3.938 -0.152 25789
1225 1 5 . 1 1 32 32 SER C C 32 175.874 175.874 176.677 -0.803 25789
1226 1 5 . 1 1 32 32 SER CA C 32 61.991 61.991 61.931 0.060 25789
1227 1 5 . 1 1 32 32 SER CB C 32 62.697 62.697 63.220 -0.523 25789
1228 1 5 . 1 1 32 32 SER H H 32 8.661 8.661 8.783 -0.122 25789
1229 1 5 . 1 1 33 33 ALA N N 33 122.924 122.924 123.208 -0.284 25789
1230 1 5 . 1 1 33 33 ALA HA H 33 3.877 3.877 4.060 -0.183 25789
1231 1 5 . 1 1 33 33 ALA C C 33 178.824 178.824 179.413 -0.589 25789
1232 1 5 . 1 1 33 33 ALA CA C 33 55.115 55.115 55.109 0.006 25789
1233 1 5 . 1 1 33 33 ALA CB C 33 18.889 18.889 18.125 0.764 25789
1234 1 5 . 1 1 33 33 ALA H H 33 7.977 7.977 8.279 -0.302 25789
1235 1 5 . 1 1 34 34 GLN N N 34 119.261 119.261 118.752 0.509 25789
1236 1 5 . 1 1 34 34 GLN HA H 34 3.595 3.595 4.015 -0.420 25789
1237 1 5 . 1 1 34 34 GLN C C 34 178.745 178.745 178.388 0.357 25789
1238 1 5 . 1 1 34 34 GLN CA C 34 58.880 58.880 58.412 0.468 25789
1239 1 5 . 1 1 34 34 GLN CB C 34 27.349 27.349 28.455 -1.106 25789
1240 1 5 . 1 1 34 34 GLN H H 34 7.177 7.177 7.901 -0.724 25789
1241 1 5 . 1 1 35 35 GLN N N 35 122.346 122.346 118.230 4.116 25789
1242 1 5 . 1 1 35 35 GLN HA H 35 4.008 4.008 4.084 -0.076 25789
1243 1 5 . 1 1 35 35 GLN C C 35 176.948 176.948 178.263 -1.315 25789
1244 1 5 . 1 1 35 35 GLN CA C 35 57.174 57.174 57.885 -0.710 25789
1245 1 5 . 1 1 35 35 GLN CB C 35 29.865 29.865 28.222 1.643 25789
1246 1 5 . 1 1 35 35 GLN H H 35 7.716 7.716 7.779 -0.063 25789
1247 1 5 . 1 1 36 36 GLU N N 36 114.288 114.288 118.027 -3.739 25789
1248 1 5 . 1 1 36 36 GLU HA H 36 3.891 3.891 4.003 -0.112 25789
1249 1 5 . 1 1 36 36 GLU C C 36 179.191 179.191 177.970 1.221 25789
1250 1 5 . 1 1 36 36 GLU CA C 36 58.444 58.444 58.746 -0.302 25789
1251 1 5 . 1 1 36 36 GLU CB C 36 30.860 30.860 29.407 1.453 25789
1252 1 5 . 1 1 36 36 GLU H H 36 8.239 8.239 8.164 0.075 25789
1253 1 5 . 1 1 37 37 GLN N N 37 112.767 112.767 115.649 -2.882 25789
1254 1 5 . 1 1 37 37 GLN HA H 37 4.382 4.382 4.367 0.015 25789
1255 1 5 . 1 1 37 37 GLN C C 37 177.125 177.125 176.067 1.058 25789
1256 1 5 . 1 1 37 37 GLN CA C 37 56.848 56.848 57.497 -0.649 25789
1257 1 5 . 1 1 37 37 GLN CB C 37 30.442 30.442 30.217 0.225 25789
1258 1 5 . 1 1 37 37 GLN H H 37 7.644 7.644 7.824 -0.180 25789
1259 1 5 . 1 1 38 38 CYS N N 38 115.172 115.172 117.785 -2.613 25789
1260 1 5 . 1 1 38 38 CYS HA H 38 5.033 5.033 4.764 0.269 25789
1261 1 5 . 1 1 38 38 CYS C C 38 174.561 174.561 174.668 -0.107 25789
1262 1 5 . 1 1 38 38 CYS CA C 38 54.813 54.813 59.360 -4.547 25789
1263 1 5 . 1 1 38 38 CYS CB C 38 41.981 41.981 29.214 12.767 25789
1264 1 5 . 1 1 38 38 CYS H H 38 7.704 7.704 8.284 -0.580 25789
1265 1 5 . 1 1 39 39 ASP N N 39 118.112 118.112 121.019 -2.907 25789
1266 1 5 . 1 1 39 39 ASP HA H 39 5.035 5.035 5.099 -0.064 25789
1267 1 5 . 1 1 39 39 ASP CA C 39 51.652 51.652 51.044 0.608 25789
1268 1 5 . 1 1 39 39 ASP CB C 39 41.995 41.995 42.368 -0.373 25789
1269 1 5 . 1 1 39 39 ASP H H 39 7.824 7.824 7.656 0.168 25789
1270 1 5 . 1 1 40 40 PRO HA H 40 4.682 4.682 4.471 0.211 25789
1271 1 5 . 1 1 40 40 PRO C C 40 177.751 177.751 176.745 1.006 25789
1272 1 5 . 1 1 40 40 PRO CA C 40 63.531 63.531 63.557 -0.026 25789
1273 1 5 . 1 1 40 40 PRO CB C 40 32.479 32.479 32.234 0.245 25789
1274 1 5 . 1 1 41 41 ASN N N 41 114.538 114.538 115.803 -1.265 25789
1275 1 5 . 1 1 41 41 ASN HA H 41 4.710 4.710 4.724 -0.014 25789
1276 1 5 . 1 1 41 41 ASN C C 41 175.877 175.877 175.734 0.143 25789
1277 1 5 . 1 1 41 41 ASN CA C 41 53.533 53.533 54.447 -0.914 25789
1278 1 5 . 1 1 41 41 ASN CB C 41 39.317 39.317 39.358 -0.041 25789
1279 1 5 . 1 1 41 41 ASN H H 41 8.183 8.183 8.240 -0.057 25789
1280 1 5 . 1 1 42 42 ILE N N 42 117.609 117.609 115.797 1.812 25789
1281 1 5 . 1 1 42 42 ILE HA H 42 4.188 4.188 4.375 -0.187 25789
1282 1 5 . 1 1 42 42 ILE C C 42 174.947 174.947 174.933 0.014 25789
1283 1 5 . 1 1 42 42 ILE CA C 42 62.863 62.863 60.172 2.691 25789
1284 1 5 . 1 1 42 42 ILE CB C 42 39.653 39.653 39.246 0.407 25789
1285 1 5 . 1 1 42 42 ILE H H 42 7.260 7.260 7.641 -0.381 25789
1286 1 5 . 1 1 43 43 THR N N 43 114.448 114.448 112.918 1.530 25789
1287 1 5 . 1 1 43 43 THR HA H 43 4.814 4.814 5.081 -0.267 25789
1288 1 5 . 1 1 43 43 THR C C 43 173.737 173.737 174.225 -0.488 25789
1289 1 5 . 1 1 43 43 THR CA C 43 60.118 60.118 59.508 0.610 25789
1290 1 5 . 1 1 43 43 THR CB C 43 72.559 72.559 71.901 0.658 25789
1291 1 5 . 1 1 43 43 THR H H 43 8.828 8.828 8.646 0.182 25789
1292 1 5 . 1 1 44 44 ILE N N 44 121.256 121.256 121.135 0.121 25789
1293 1 5 . 1 1 44 44 ILE HA H 44 3.475 3.475 3.956 -0.481 25789
1294 1 5 . 1 1 44 44 ILE C C 44 176.400 176.400 176.435 -0.035 25789
1295 1 5 . 1 1 44 44 ILE CA C 44 62.849 62.849 62.334 0.515 25789
1296 1 5 . 1 1 44 44 ILE CB C 44 37.712 37.712 37.403 0.309 25789
1297 1 5 . 1 1 44 44 ILE H H 44 8.487 8.487 8.427 0.060 25789
1298 1 5 . 1 1 45 45 ALA N N 45 140.640 140.640 132.098 8.542 25789
1299 1 5 . 1 1 45 45 ALA HA H 45 4.210 4.210 4.290 -0.080 25789
1300 1 5 . 1 1 45 45 ALA C C 45 178.725 178.725 177.275 1.450 25789
1301 1 5 . 1 1 45 45 ALA CA C 45 54.537 54.537 53.535 1.002 25789
1302 1 5 . 1 1 45 45 ALA CB C 45 19.216 19.216 20.187 -0.971 25789
1303 1 5 . 1 1 45 45 ALA H H 45 9.195 9.195 8.968 0.227 25789
1304 1 5 . 1 1 46 46 HIS N N 46 106.909 106.909 110.180 -3.271 25789
1305 1 5 . 1 1 46 46 HIS HA H 46 4.608 4.608 4.709 -0.101 25789
1306 1 5 . 1 1 46 46 HIS C C 46 173.062 173.062 173.114 -0.052 25789
1307 1 5 . 1 1 46 46 HIS CA C 46 54.573 54.573 54.692 -0.119 25789
1308 1 5 . 1 1 46 46 HIS CB C 46 29.351 29.351 30.174 -0.823 25789
1309 1 5 . 1 1 46 46 HIS H H 46 7.240 7.240 7.328 -0.088 25789
1310 1 5 . 1 1 47 47 MET N N 47 119.326 119.326 122.065 -2.739 25789
1311 1 5 . 1 1 47 47 MET HA H 47 4.655 4.655 4.182 0.473 25789
1312 1 5 . 1 1 47 47 MET C C 47 179.036 179.036 176.268 2.768 25789
1313 1 5 . 1 1 47 47 MET CA C 47 54.965 54.965 55.912 -0.947 25789
1314 1 5 . 1 1 47 47 MET CB C 47 31.458 31.458 32.348 -0.890 25789
1315 1 5 . 1 1 47 47 MET H H 47 9.092 9.092 8.642 0.450 25789
1316 1 5 . 1 1 48 48 GLY N N 48 114.963 114.963 114.819 0.144 25789
1317 1 5 . 1 1 48 48 GLY C C 48 170.539 170.539 172.446 -1.907 25789
1318 1 5 . 1 1 48 48 GLY CA C 48 44.288 44.288 44.617 -0.329 25789
1319 1 5 . 1 1 48 48 GLY H H 48 8.162 8.162 8.657 -0.495 25789
1320 1 5 . 1 1 49 49 GLU N N 49 113.303 113.303 118.208 -4.905 25789
1321 1 5 . 1 1 49 49 GLU HA H 49 3.971 3.971 4.178 -0.207 25789
1322 1 5 . 1 1 49 49 GLU C C 49 178.243 178.243 175.191 3.052 25789
1323 1 5 . 1 1 49 49 GLU CA C 49 56.770 56.770 56.389 0.381 25789
1324 1 5 . 1 1 49 49 GLU CB C 49 30.475 30.475 30.361 0.114 25789
1325 1 5 . 1 1 49 49 GLU H H 49 8.225 8.225 8.388 -0.163 25789
1326 1 6 . 1 1 2 2 GLU N N 2 120.587 120.587 119.948 0.639 25789
1327 1 6 . 1 1 2 2 GLU HA H 2 4.778 4.778 4.589 0.189 25789
1328 1 6 . 1 1 2 2 GLU CA C 2 56.919 56.919 56.413 0.506 25789
1329 1 6 . 1 1 2 2 GLU CB C 2 30.334 30.334 31.736 -1.402 25789
1330 1 6 . 1 1 2 2 GLU H H 2 8.777 8.777 8.497 0.280 25789
1331 1 6 . 1 1 3 3 ASP N N 3 121.555 121.555 120.315 1.240 25789
1332 1 6 . 1 1 3 3 ASP HA H 3 4.543 4.543 4.895 -0.352 25789
1333 1 6 . 1 1 3 3 ASP H H 3 8.491 8.491 8.195 0.296 25789
1334 1 6 . 1 1 4 4 CYS N N 4 122.792 122.792 120.728 2.064 25789
1335 1 6 . 1 1 4 4 CYS HA H 4 4.587 4.587 4.787 -0.200 25789
1336 1 6 . 1 1 4 4 CYS C C 4 173.506 173.506 172.957 0.549 25789
1337 1 6 . 1 1 4 4 CYS CA C 4 57.905 57.905 57.274 0.631 25789
1338 1 6 . 1 1 4 4 CYS CB C 4 38.220 38.220 30.379 7.841 25789
1339 1 6 . 1 1 4 4 CYS H H 4 8.347 8.347 8.417 -0.070 25789
1340 1 6 . 1 1 5 5 VAL N N 5 130.233 130.233 123.454 6.779 25789
1341 1 6 . 1 1 5 5 VAL HA H 5 4.591 4.591 4.381 0.210 25789
1342 1 6 . 1 1 5 5 VAL C C 5 175.872 175.872 175.410 0.462 25789
1343 1 6 . 1 1 5 5 VAL CA C 5 61.756 61.756 61.843 -0.087 25789
1344 1 6 . 1 1 5 5 VAL CB C 5 34.641 34.641 33.849 0.791 25789
1345 1 6 . 1 1 5 5 VAL H H 5 8.597 8.597 8.295 0.302 25789
1346 1 6 . 1 1 6 6 GLY N N 6 115.595 115.595 115.129 0.466 25789
1347 1 6 . 1 1 6 6 GLY C C 6 173.454 173.454 172.846 0.608 25789
1348 1 6 . 1 1 6 6 GLY CA C 6 45.527 45.527 44.735 0.792 25789
1349 1 6 . 1 1 6 6 GLY H H 6 8.836 8.836 8.350 0.486 25789
1350 1 6 . 1 1 7 7 ARG N N 7 124.372 124.372 123.832 0.540 25789
1351 1 6 . 1 1 7 7 ARG HA H 7 4.637 4.637 4.558 0.079 25789
1352 1 6 . 1 1 7 7 ARG C C 7 175.190 175.190 174.835 0.355 25789
1353 1 6 . 1 1 7 7 ARG CA C 7 55.528 55.528 55.524 0.004 25789
1354 1 6 . 1 1 7 7 ARG CB C 7 32.434 32.434 31.940 0.494 25789
1355 1 6 . 1 1 7 7 ARG H H 7 8.760 8.760 8.404 0.356 25789
1356 1 6 . 1 1 8 8 LYS N N 8 126.364 126.364 124.937 1.427 25789
1357 1 6 . 1 1 8 8 LYS HA H 8 4.435 4.435 4.432 0.003 25789
1358 1 6 . 1 1 8 8 LYS C C 8 174.455 174.455 175.772 -1.317 25789
1359 1 6 . 1 1 8 8 LYS CA C 8 55.630 55.630 54.742 0.888 25789
1360 1 6 . 1 1 8 8 LYS CB C 8 36.088 36.088 34.339 1.749 25789
1361 1 6 . 1 1 8 8 LYS H H 8 8.497 8.497 8.678 -0.181 25789
1362 1 6 . 1 1 9 9 ALA N N 9 126.059 126.059 125.309 0.750 25789
1363 1 6 . 1 1 9 9 ALA HA H 9 4.462 4.462 4.380 0.082 25789
1364 1 6 . 1 1 9 9 ALA C C 9 176.690 176.690 176.840 -0.150 25789
1365 1 6 . 1 1 9 9 ALA CA C 9 52.255 52.255 52.041 0.214 25789
1366 1 6 . 1 1 9 9 ALA CB C 9 17.072 17.072 19.100 -2.028 25789
1367 1 6 . 1 1 9 9 ALA H H 9 8.339 8.339 8.348 -0.009 25789
1368 1 6 . 1 1 10 10 CYS N N 10 123.013 123.013 123.819 -0.806 25789
1369 1 6 . 1 1 10 10 CYS HA H 10 5.070 5.070 4.741 0.329 25789
1370 1 6 . 1 1 10 10 CYS C C 10 175.913 175.913 173.439 2.474 25789
1371 1 6 . 1 1 10 10 CYS CA C 10 52.909 52.909 58.946 -6.037 25789
1372 1 6 . 1 1 10 10 CYS CB C 10 41.080 41.080 29.932 11.148 25789
1373 1 6 . 1 1 10 10 CYS H H 10 8.103 8.103 8.664 -0.561 25789
1374 1 6 . 1 1 11 11 THR N N 11 113.789 113.789 118.959 -5.170 25789
1375 1 6 . 1 1 11 11 THR HA H 11 4.510 4.510 4.658 -0.148 25789
1376 1 6 . 1 1 11 11 THR C C 11 174.887 174.887 174.073 0.814 25789
1377 1 6 . 1 1 11 11 THR CA C 11 61.918 61.918 62.834 -0.916 25789
1378 1 6 . 1 1 11 11 THR CB C 11 69.543 69.543 68.451 1.092 25789
1379 1 6 . 1 1 11 11 THR H H 11 8.272 8.272 8.441 -0.169 25789
1380 1 6 . 1 1 12 12 ARG N N 12 120.274 120.274 120.122 0.152 25789
1381 1 6 . 1 1 12 12 ARG HA H 12 4.451 4.451 4.656 -0.205 25789
1382 1 6 . 1 1 12 12 ARG C C 12 176.188 176.188 176.043 0.145 25789
1383 1 6 . 1 1 12 12 ARG CA C 12 55.853 55.853 56.420 -0.567 25789
1384 1 6 . 1 1 12 12 ARG CB C 12 29.473 29.473 31.712 -2.239 25789
1385 1 6 . 1 1 12 12 ARG H H 12 8.585 8.585 8.573 0.012 25789
1386 1 6 . 1 1 13 13 GLU N N 13 122.312 122.312 119.251 3.061 25789
1387 1 6 . 1 1 13 13 GLU HA H 13 4.206 4.206 4.276 -0.070 25789
1388 1 6 . 1 1 13 13 GLU C C 13 175.542 175.542 174.031 1.511 25789
1389 1 6 . 1 1 13 13 GLU CA C 13 57.303 57.303 55.681 1.622 25789
1390 1 6 . 1 1 13 13 GLU CB C 13 30.201 30.201 30.921 -0.720 25789
1391 1 6 . 1 1 13 13 GLU H H 13 8.069 8.069 8.086 -0.017 25789
1392 1 6 . 1 1 14 14 TRP N N 14 126.929 126.929 127.879 -0.950 25789
1393 1 6 . 1 1 14 14 TRP HA H 14 5.125 5.125 4.831 0.294 25789
1394 1 6 . 1 1 14 14 TRP C C 14 174.853 174.853 174.463 0.390 25789
1395 1 6 . 1 1 14 14 TRP CA C 14 56.388 56.388 55.778 0.610 25789
1396 1 6 . 1 1 14 14 TRP CB C 14 29.804 29.804 29.894 -0.090 25789
1397 1 6 . 1 1 14 14 TRP H H 14 8.823 8.823 8.564 0.259 25789
1398 1 6 . 1 1 15 15 TYR N N 15 129.982 129.982 125.480 4.502 25789
1399 1 6 . 1 1 15 15 TYR HA H 15 4.522 4.522 4.769 -0.247 25789
1400 1 6 . 1 1 15 15 TYR CB C 15 38.301 38.301 39.156 -0.855 25789
1401 1 6 . 1 1 15 15 TYR H H 15 8.949 8.949 7.794 1.155 25789
1402 1 6 . 1 1 16 16 PRO HA H 16 4.094 4.094 4.911 -0.817 25789
1403 1 6 . 1 1 16 16 PRO C C 16 177.191 177.191 176.009 1.182 25789
1404 1 6 . 1 1 16 16 PRO CA C 16 62.523 62.523 61.799 0.724 25789
1405 1 6 . 1 1 16 16 PRO CB C 16 32.836 32.836 32.488 0.348 25789
1406 1 6 . 1 1 17 17 VAL N N 17 114.809 114.809 114.997 -0.188 25789
1407 1 6 . 1 1 17 17 VAL HA H 17 4.184 4.184 4.984 -0.800 25789
1408 1 6 . 1 1 17 17 VAL C C 17 172.678 172.678 173.707 -1.029 25789
1409 1 6 . 1 1 17 17 VAL CA C 17 60.249 60.249 58.730 1.518 25789
1410 1 6 . 1 1 17 17 VAL CB C 17 36.086 36.086 35.636 0.450 25789
1411 1 6 . 1 1 17 17 VAL H H 17 8.355 8.355 8.849 -0.494 25789
1412 1 6 . 1 1 18 18 CYS N N 18 123.493 123.493 119.581 3.912 25789
1413 1 6 . 1 1 18 18 CYS HA H 18 5.217 5.217 5.399 -0.182 25789
1414 1 6 . 1 1 18 18 CYS C C 18 175.720 175.720 175.210 0.510 25789
1415 1 6 . 1 1 18 18 CYS CA C 18 53.874 53.874 56.322 -2.448 25789
1416 1 6 . 1 1 18 18 CYS CB C 18 38.042 38.042 29.236 8.806 25789
1417 1 6 . 1 1 18 18 CYS H H 18 8.245 8.245 8.179 0.066 25789
1418 1 6 . 1 1 19 19 GLY N N 19 116.182 116.182 113.789 2.393 25789
1419 1 6 . 1 1 19 19 GLY C C 19 176.356 176.356 174.773 1.583 25789
1420 1 6 . 1 1 19 19 GLY CA C 19 45.350 45.350 44.899 0.451 25789
1421 1 6 . 1 1 19 19 GLY H H 19 9.676 9.676 9.408 0.268 25789
1422 1 6 . 1 1 20 20 SER N N 20 119.167 119.167 117.957 1.210 25789
1423 1 6 . 1 1 20 20 SER HA H 20 4.147 4.147 4.256 -0.109 25789
1424 1 6 . 1 1 20 20 SER C C 20 173.922 173.922 175.323 -1.401 25789
1425 1 6 . 1 1 20 20 SER CA C 20 61.110 61.110 60.286 0.824 25789
1426 1 6 . 1 1 20 20 SER CB C 20 62.104 62.104 63.107 -1.003 25789
1427 1 6 . 1 1 20 20 SER H H 20 9.783 9.783 8.722 1.061 25789
1428 1 6 . 1 1 21 21 ASP N N 21 120.973 120.973 118.846 2.127 25789
1429 1 6 . 1 1 21 21 ASP HA H 21 4.512 4.512 4.629 -0.117 25789
1430 1 6 . 1 1 21 21 ASP C C 21 177.137 177.137 176.540 0.597 25789
1431 1 6 . 1 1 21 21 ASP CA C 21 53.514 53.514 53.945 -0.431 25789
1432 1 6 . 1 1 21 21 ASP CB C 21 39.784 39.784 41.024 -1.240 25789
1433 1 6 . 1 1 21 21 ASP H H 21 8.823 8.823 7.994 0.829 25789
1434 1 6 . 1 1 22 22 GLY N N 22 109.625 109.625 107.915 1.710 25789
1435 1 6 . 1 1 22 22 GLY C C 22 173.782 173.782 173.601 0.181 25789
1436 1 6 . 1 1 22 22 GLY CA C 22 45.916 45.916 45.028 0.888 25789
1437 1 6 . 1 1 22 22 GLY H H 22 8.448 8.448 8.412 0.036 25789
1438 1 6 . 1 1 23 23 VAL N N 23 124.643 124.643 120.197 4.446 25789
1439 1 6 . 1 1 23 23 VAL HA H 23 3.850 3.850 4.400 -0.550 25789
1440 1 6 . 1 1 23 23 VAL CA C 23 61.747 61.747 59.585 2.162 25789
1441 1 6 . 1 1 23 23 VAL CB C 23 33.045 33.045 33.910 -0.865 25789
1442 1 6 . 1 1 23 23 VAL H H 23 7.755 7.755 7.562 0.193 25789
1443 1 6 . 1 1 24 24 THR N N 24 124.128 124.128 125.457 -1.329 25789
1444 1 6 . 1 1 24 24 THR HA H 24 4.751 4.751 4.492 0.259 25789
1445 1 6 . 1 1 24 24 THR C C 24 174.674 174.674 173.655 1.019 25789
1446 1 6 . 1 1 24 24 THR CA C 24 62.517 62.517 63.258 -0.741 25789
1447 1 6 . 1 1 24 24 THR CB C 24 69.332 69.332 68.794 0.538 25789
1448 1 6 . 1 1 24 24 THR H H 24 8.204 8.204 8.338 -0.134 25789
1449 1 6 . 1 1 25 25 TYR N N 25 130.525 130.525 128.035 2.490 25789
1450 1 6 . 1 1 25 25 TYR HA H 25 4.580 4.580 4.782 -0.202 25789
1451 1 6 . 1 1 25 25 TYR C C 25 176.958 176.958 176.557 0.401 25789
1452 1 6 . 1 1 25 25 TYR CA C 25 58.112 58.112 56.625 1.487 25789
1453 1 6 . 1 1 25 25 TYR CB C 25 40.957 40.957 40.573 0.384 25789
1454 1 6 . 1 1 25 25 TYR H H 25 9.528 9.528 9.005 0.523 25789
1455 1 6 . 1 1 26 26 SER N N 26 118.275 118.275 117.952 0.323 25789
1456 1 6 . 1 1 26 26 SER HA H 26 3.688 3.688 3.738 -0.050 25789
1457 1 6 . 1 1 26 26 SER C C 26 172.371 172.371 172.940 -0.569 25789
1458 1 6 . 1 1 26 26 SER CA C 26 61.334 61.334 60.876 0.458 25789
1459 1 6 . 1 1 26 26 SER CB C 26 63.624 63.624 63.658 -0.034 25789
1460 1 6 . 1 1 26 26 SER H H 26 9.300 9.300 9.422 -0.122 25789
1461 1 6 . 1 1 27 27 ASN N N 27 109.467 109.467 111.343 -1.876 25789
1462 1 6 . 1 1 27 27 ASN HA H 27 5.456 5.456 5.577 -0.121 25789
1463 1 6 . 1 1 27 27 ASN CA C 27 51.882 51.882 51.698 0.184 25789
1464 1 6 . 1 1 27 27 ASN CB C 27 36.669 36.669 38.304 -1.635 25789
1465 1 6 . 1 1 27 27 ASN H H 27 7.341 7.341 7.385 -0.044 25789
1466 1 6 . 1 1 28 28 PRO HA H 28 4.225 4.225 4.206 0.019 25789
1467 1 6 . 1 1 28 28 PRO C C 28 177.600 177.600 178.281 -0.681 25789
1468 1 6 . 1 1 28 28 PRO CA C 28 65.794 65.794 65.904 -0.110 25789
1469 1 6 . 1 1 28 28 PRO CB C 28 32.317 32.317 31.504 0.813 25789
1470 1 6 . 1 1 29 29 CYS N N 29 120.684 120.684 115.847 4.837 25789
1471 1 6 . 1 1 29 29 CYS HA H 29 4.371 4.371 4.155 0.216 25789
1472 1 6 . 1 1 29 29 CYS C C 29 177.390 177.390 176.736 0.654 25789
1473 1 6 . 1 1 29 29 CYS CA C 29 60.240 60.240 61.761 -1.521 25789
1474 1 6 . 1 1 29 29 CYS CB C 29 36.524 36.524 26.347 10.177 25789
1475 1 6 . 1 1 29 29 CYS H H 29 8.275 8.275 8.218 0.057 25789
1476 1 6 . 1 1 30 30 ASN N N 30 122.591 122.591 119.192 3.399 25789
1477 1 6 . 1 1 30 30 ASN HA H 30 4.515 4.515 4.369 0.146 25789
1478 1 6 . 1 1 30 30 ASN C C 30 178.484 178.484 177.190 1.294 25789
1479 1 6 . 1 1 30 30 ASN CA C 30 57.010 57.010 56.678 0.332 25789
1480 1 6 . 1 1 30 30 ASN CB C 30 39.559 39.559 38.608 0.951 25789
1481 1 6 . 1 1 30 30 ASN H H 30 8.653 8.653 8.924 -0.271 25789
1482 1 6 . 1 1 31 31 PHE N N 31 121.793 121.793 120.791 1.002 25789
1483 1 6 . 1 1 31 31 PHE HA H 31 3.222 3.222 2.863 0.359 25789
1484 1 6 . 1 1 31 31 PHE C C 31 175.893 175.893 176.989 -1.096 25789
1485 1 6 . 1 1 31 31 PHE CA C 31 61.887 61.887 60.950 0.937 25789
1486 1 6 . 1 1 31 31 PHE CB C 31 38.828 38.828 38.941 -0.113 25789
1487 1 6 . 1 1 31 31 PHE H H 31 7.848 7.848 8.378 -0.530 25789
1488 1 6 . 1 1 32 32 SER N N 32 116.875 116.875 115.660 1.215 25789
1489 1 6 . 1 1 32 32 SER HA H 32 3.785 3.785 3.818 -0.033 25789
1490 1 6 . 1 1 32 32 SER C C 32 175.874 175.874 176.338 -0.464 25789
1491 1 6 . 1 1 32 32 SER CA C 32 61.991 61.991 62.098 -0.107 25789
1492 1 6 . 1 1 32 32 SER CB C 32 62.697 62.697 63.211 -0.514 25789
1493 1 6 . 1 1 32 32 SER H H 32 8.661 8.661 8.623 0.038 25789
1494 1 6 . 1 1 33 33 ALA N N 33 122.924 122.924 123.388 -0.464 25789
1495 1 6 . 1 1 33 33 ALA HA H 33 3.877 3.877 4.015 -0.138 25789
1496 1 6 . 1 1 33 33 ALA C C 33 178.824 178.824 179.470 -0.646 25789
1497 1 6 . 1 1 33 33 ALA CA C 33 55.115 55.115 55.192 -0.077 25789
1498 1 6 . 1 1 33 33 ALA CB C 33 18.889 18.889 18.069 0.820 25789
1499 1 6 . 1 1 33 33 ALA H H 33 7.977 7.977 8.340 -0.363 25789
1500 1 6 . 1 1 34 34 GLN N N 34 119.261 119.261 118.672 0.589 25789
1501 1 6 . 1 1 34 34 GLN HA H 34 3.595 3.595 3.981 -0.386 25789
1502 1 6 . 1 1 34 34 GLN C C 34 178.745 178.745 178.280 0.465 25789
1503 1 6 . 1 1 34 34 GLN CA C 34 58.880 58.880 58.392 0.488 25789
1504 1 6 . 1 1 34 34 GLN CB C 34 27.349 27.349 28.320 -0.970 25789
1505 1 6 . 1 1 34 34 GLN H H 34 7.177 7.177 8.179 -1.002 25789
1506 1 6 . 1 1 35 35 GLN N N 35 122.346 122.346 117.949 4.397 25789
1507 1 6 . 1 1 35 35 GLN HA H 35 4.008 4.008 3.902 0.106 25789
1508 1 6 . 1 1 35 35 GLN C C 35 176.948 176.948 177.508 -0.560 25789
1509 1 6 . 1 1 35 35 GLN CA C 35 57.174 57.174 57.920 -0.746 25789
1510 1 6 . 1 1 35 35 GLN CB C 35 29.865 29.865 28.370 1.495 25789
1511 1 6 . 1 1 35 35 GLN H H 35 7.716 7.716 7.559 0.157 25789
1512 1 6 . 1 1 36 36 GLU N N 36 114.288 114.288 117.157 -2.869 25789
1513 1 6 . 1 1 36 36 GLU HA H 36 3.891 3.891 3.999 -0.108 25789
1514 1 6 . 1 1 36 36 GLU C C 36 179.191 179.191 178.265 0.926 25789
1515 1 6 . 1 1 36 36 GLU CA C 36 58.444 58.444 58.286 0.158 25789
1516 1 6 . 1 1 36 36 GLU CB C 36 30.860 30.860 29.341 1.519 25789
1517 1 6 . 1 1 36 36 GLU H H 36 8.239 8.239 8.118 0.121 25789
1518 1 6 . 1 1 37 37 GLN N N 37 112.767 112.767 117.604 -4.837 25789
1519 1 6 . 1 1 37 37 GLN HA H 37 4.382 4.382 4.381 0.001 25789
1520 1 6 . 1 1 37 37 GLN C C 37 177.125 177.125 176.709 0.416 25789
1521 1 6 . 1 1 37 37 GLN CA C 37 56.848 56.848 57.690 -0.842 25789
1522 1 6 . 1 1 37 37 GLN CB C 37 30.442 30.442 29.709 0.733 25789
1523 1 6 . 1 1 37 37 GLN H H 37 7.644 7.644 7.698 -0.054 25789
1524 1 6 . 1 1 38 38 CYS N N 38 115.172 115.172 114.618 0.554 25789
1525 1 6 . 1 1 38 38 CYS HA H 38 5.033 5.033 4.751 0.282 25789
1526 1 6 . 1 1 38 38 CYS C C 38 174.561 174.561 174.704 -0.143 25789
1527 1 6 . 1 1 38 38 CYS CA C 38 54.813 54.813 58.373 -3.560 25789
1528 1 6 . 1 1 38 38 CYS CB C 38 41.981 41.981 29.032 12.949 25789
1529 1 6 . 1 1 38 38 CYS H H 38 7.704 7.704 8.011 -0.307 25789
1530 1 6 . 1 1 39 39 ASP N N 39 118.112 118.112 120.577 -2.465 25789
1531 1 6 . 1 1 39 39 ASP HA H 39 5.035 5.035 5.090 -0.055 25789
1532 1 6 . 1 1 39 39 ASP CA C 39 51.652 51.652 50.719 0.933 25789
1533 1 6 . 1 1 39 39 ASP CB C 39 41.995 41.995 41.897 0.098 25789
1534 1 6 . 1 1 39 39 ASP H H 39 7.824 7.824 7.895 -0.071 25789
1535 1 6 . 1 1 40 40 PRO HA H 40 4.682 4.682 4.258 0.424 25789
1536 1 6 . 1 1 40 40 PRO C C 40 177.751 177.751 176.824 0.927 25789
1537 1 6 . 1 1 40 40 PRO CA C 40 63.531 63.531 63.998 -0.467 25789
1538 1 6 . 1 1 40 40 PRO CB C 40 32.479 32.479 32.120 0.359 25789
1539 1 6 . 1 1 41 41 ASN N N 41 114.538 114.538 115.961 -1.423 25789
1540 1 6 . 1 1 41 41 ASN HA H 41 4.710 4.710 4.818 -0.108 25789
1541 1 6 . 1 1 41 41 ASN C C 41 175.877 175.877 175.239 0.638 25789
1542 1 6 . 1 1 41 41 ASN CA C 41 53.533 53.533 53.191 0.342 25789
1543 1 6 . 1 1 41 41 ASN CB C 41 39.317 39.317 39.296 0.021 25789
1544 1 6 . 1 1 41 41 ASN H H 41 8.183 8.183 7.830 0.353 25789
1545 1 6 . 1 1 42 42 ILE N N 42 117.609 117.609 118.135 -0.526 25789
1546 1 6 . 1 1 42 42 ILE HA H 42 4.188 4.188 4.421 -0.233 25789
1547 1 6 . 1 1 42 42 ILE C C 42 174.947 174.947 174.813 0.134 25789
1548 1 6 . 1 1 42 42 ILE CA C 42 62.863 62.863 60.335 2.528 25789
1549 1 6 . 1 1 42 42 ILE CB C 42 39.653 39.653 39.343 0.310 25789
1550 1 6 . 1 1 42 42 ILE H H 42 7.260 7.260 7.203 0.057 25789
1551 1 6 . 1 1 43 43 THR N N 43 114.448 114.448 116.732 -2.284 25789
1552 1 6 . 1 1 43 43 THR HA H 43 4.814 4.814 4.848 -0.034 25789
1553 1 6 . 1 1 43 43 THR C C 43 173.737 173.737 174.121 -0.384 25789
1554 1 6 . 1 1 43 43 THR CA C 43 60.118 60.118 59.966 0.152 25789
1555 1 6 . 1 1 43 43 THR CB C 43 72.559 72.559 70.847 1.712 25789
1556 1 6 . 1 1 43 43 THR H H 43 8.828 8.828 8.183 0.645 25789
1557 1 6 . 1 1 44 44 ILE N N 44 121.256 121.256 121.740 -0.484 25789
1558 1 6 . 1 1 44 44 ILE HA H 44 3.475 3.475 3.868 -0.393 25789
1559 1 6 . 1 1 44 44 ILE C C 44 176.400 176.400 176.387 0.013 25789
1560 1 6 . 1 1 44 44 ILE CA C 44 62.849 62.849 62.025 0.824 25789
1561 1 6 . 1 1 44 44 ILE CB C 44 37.712 37.712 37.461 0.252 25789
1562 1 6 . 1 1 44 44 ILE H H 44 8.487 8.487 8.309 0.178 25789
1563 1 6 . 1 1 45 45 ALA N N 45 140.640 140.640 132.416 8.224 25789
1564 1 6 . 1 1 45 45 ALA HA H 45 4.210 4.210 4.259 -0.049 25789
1565 1 6 . 1 1 45 45 ALA C C 45 178.725 178.725 177.311 1.414 25789
1566 1 6 . 1 1 45 45 ALA CA C 45 54.537 54.537 53.743 0.794 25789
1567 1 6 . 1 1 45 45 ALA CB C 45 19.216 19.216 19.849 -0.633 25789
1568 1 6 . 1 1 45 45 ALA H H 45 9.195 9.195 8.988 0.207 25789
1569 1 6 . 1 1 46 46 HIS N N 46 106.909 106.909 109.798 -2.889 25789
1570 1 6 . 1 1 46 46 HIS HA H 46 4.608 4.608 4.716 -0.108 25789
1571 1 6 . 1 1 46 46 HIS C C 46 173.062 173.062 173.029 0.033 25789
1572 1 6 . 1 1 46 46 HIS CA C 46 54.573 54.573 54.567 0.006 25789
1573 1 6 . 1 1 46 46 HIS CB C 46 29.351 29.351 30.422 -1.071 25789
1574 1 6 . 1 1 46 46 HIS H H 46 7.240 7.240 7.279 -0.039 25789
1575 1 6 . 1 1 47 47 MET N N 47 119.326 119.326 121.609 -2.283 25789
1576 1 6 . 1 1 47 47 MET HA H 47 4.655 4.655 4.175 0.480 25789
1577 1 6 . 1 1 47 47 MET C C 47 179.036 179.036 177.034 2.002 25789
1578 1 6 . 1 1 47 47 MET CA C 47 54.965 54.965 55.675 -0.710 25789
1579 1 6 . 1 1 47 47 MET CB C 47 31.458 31.458 32.852 -1.394 25789
1580 1 6 . 1 1 47 47 MET H H 47 9.092 9.092 8.495 0.597 25789
1581 1 6 . 1 1 48 48 GLY N N 48 114.963 114.963 114.012 0.951 25789
1582 1 6 . 1 1 48 48 GLY C C 48 170.539 170.539 173.233 -2.694 25789
1583 1 6 . 1 1 48 48 GLY CA C 48 44.288 44.288 44.219 0.069 25789
1584 1 6 . 1 1 48 48 GLY H H 48 8.162 8.162 8.635 -0.473 25789
1585 1 6 . 1 1 49 49 GLU N N 49 113.303 113.303 120.380 -7.077 25789
1586 1 6 . 1 1 49 49 GLU HA H 49 3.971 3.971 3.985 -0.014 25789
1587 1 6 . 1 1 49 49 GLU C C 49 178.243 178.243 176.802 1.441 25789
1588 1 6 . 1 1 49 49 GLU CA C 49 56.770 56.770 57.062 -0.292 25789
1589 1 6 . 1 1 49 49 GLU CB C 49 30.475 30.475 30.512 -0.037 25789
1590 1 6 . 1 1 49 49 GLU H H 49 8.225 8.225 8.571 -0.346 25789
1591 1 7 . 1 1 2 2 GLU N N 2 120.587 120.587 119.827 0.760 25789
1592 1 7 . 1 1 2 2 GLU HA H 2 4.778 4.778 4.941 -0.163 25789
1593 1 7 . 1 1 2 2 GLU CA C 2 56.919 56.919 56.623 0.296 25789
1594 1 7 . 1 1 2 2 GLU CB C 2 30.334 30.334 30.896 -0.562 25789
1595 1 7 . 1 1 2 2 GLU H H 2 8.777 8.777 8.460 0.317 25789
1596 1 7 . 1 1 3 3 ASP N N 3 121.555 121.555 121.032 0.523 25789
1597 1 7 . 1 1 3 3 ASP HA H 3 4.543 4.543 4.762 -0.219 25789
1598 1 7 . 1 1 3 3 ASP H H 3 8.491 8.491 8.020 0.471 25789
1599 1 7 . 1 1 4 4 CYS N N 4 122.792 122.792 120.932 1.860 25789
1600 1 7 . 1 1 4 4 CYS HA H 4 4.587 4.587 4.802 -0.215 25789
1601 1 7 . 1 1 4 4 CYS C C 4 173.506 173.506 172.759 0.747 25789
1602 1 7 . 1 1 4 4 CYS CA C 4 57.905 57.905 57.507 0.398 25789
1603 1 7 . 1 1 4 4 CYS CB C 4 38.220 38.220 30.624 7.596 25789
1604 1 7 . 1 1 4 4 CYS H H 4 8.347 8.347 8.412 -0.065 25789
1605 1 7 . 1 1 5 5 VAL N N 5 130.233 130.233 124.119 6.114 25789
1606 1 7 . 1 1 5 5 VAL HA H 5 4.591 4.591 4.296 0.295 25789
1607 1 7 . 1 1 5 5 VAL C C 5 175.872 175.872 175.562 0.310 25789
1608 1 7 . 1 1 5 5 VAL CA C 5 61.756 61.756 61.621 0.135 25789
1609 1 7 . 1 1 5 5 VAL CB C 5 34.641 34.641 33.450 1.190 25789
1610 1 7 . 1 1 5 5 VAL H H 5 8.597 8.597 8.185 0.412 25789
1611 1 7 . 1 1 6 6 GLY N N 6 115.595 115.595 115.328 0.267 25789
1612 1 7 . 1 1 6 6 GLY C C 6 173.454 173.454 172.384 1.070 25789
1613 1 7 . 1 1 6 6 GLY CA C 6 45.527 45.527 44.833 0.694 25789
1614 1 7 . 1 1 6 6 GLY H H 6 8.836 8.836 8.603 0.233 25789
1615 1 7 . 1 1 7 7 ARG N N 7 124.372 124.372 123.195 1.177 25789
1616 1 7 . 1 1 7 7 ARG HA H 7 4.637 4.637 5.584 -0.947 25789
1617 1 7 . 1 1 7 7 ARG C C 7 175.190 175.190 175.224 -0.034 25789
1618 1 7 . 1 1 7 7 ARG CA C 7 55.528 55.528 54.571 0.957 25789
1619 1 7 . 1 1 7 7 ARG CB C 7 32.434 32.434 32.985 -0.551 25789
1620 1 7 . 1 1 7 7 ARG H H 7 8.760 8.760 8.328 0.432 25789
1621 1 7 . 1 1 8 8 LYS N N 8 126.364 126.364 124.155 2.209 25789
1622 1 7 . 1 1 8 8 LYS HA H 8 4.435 4.435 4.608 -0.173 25789
1623 1 7 . 1 1 8 8 LYS C C 8 174.455 174.455 175.397 -0.942 25789
1624 1 7 . 1 1 8 8 LYS CA C 8 55.630 55.630 54.297 1.333 25789
1625 1 7 . 1 1 8 8 LYS CB C 8 36.088 36.088 33.584 2.504 25789
1626 1 7 . 1 1 8 8 LYS H H 8 8.497 8.497 8.981 -0.484 25789
1627 1 7 . 1 1 9 9 ALA N N 9 126.059 126.059 126.819 -0.760 25789
1628 1 7 . 1 1 9 9 ALA HA H 9 4.462 4.462 4.353 0.109 25789
1629 1 7 . 1 1 9 9 ALA C C 9 176.690 176.690 177.119 -0.429 25789
1630 1 7 . 1 1 9 9 ALA CA C 9 52.255 52.255 52.123 0.132 25789
1631 1 7 . 1 1 9 9 ALA CB C 9 17.072 17.072 19.071 -1.999 25789
1632 1 7 . 1 1 9 9 ALA H H 9 8.339 8.339 8.387 -0.048 25789
1633 1 7 . 1 1 10 10 CYS N N 10 123.013 123.013 123.468 -0.455 25789
1634 1 7 . 1 1 10 10 CYS HA H 10 5.070 5.070 4.761 0.309 25789
1635 1 7 . 1 1 10 10 CYS C C 10 175.913 175.913 173.756 2.157 25789
1636 1 7 . 1 1 10 10 CYS CA C 10 52.909 52.909 58.600 -5.691 25789
1637 1 7 . 1 1 10 10 CYS CB C 10 41.080 41.080 29.943 11.137 25789
1638 1 7 . 1 1 10 10 CYS H H 10 8.103 8.103 8.599 -0.496 25789
1639 1 7 . 1 1 11 11 THR N N 11 113.789 113.789 119.542 -5.753 25789
1640 1 7 . 1 1 11 11 THR HA H 11 4.510 4.510 4.678 -0.168 25789
1641 1 7 . 1 1 11 11 THR C C 11 174.887 174.887 174.488 0.399 25789
1642 1 7 . 1 1 11 11 THR CA C 11 61.918 61.918 62.143 -0.225 25789
1643 1 7 . 1 1 11 11 THR CB C 11 69.543 69.543 68.464 1.079 25789
1644 1 7 . 1 1 11 11 THR H H 11 8.272 8.272 8.395 -0.123 25789
1645 1 7 . 1 1 12 12 ARG N N 12 120.274 120.274 121.170 -0.896 25789
1646 1 7 . 1 1 12 12 ARG HA H 12 4.451 4.451 4.544 -0.093 25789
1647 1 7 . 1 1 12 12 ARG C C 12 176.188 176.188 176.303 -0.115 25789
1648 1 7 . 1 1 12 12 ARG CA C 12 55.853 55.853 57.015 -1.162 25789
1649 1 7 . 1 1 12 12 ARG CB C 12 29.473 29.473 31.543 -2.070 25789
1650 1 7 . 1 1 12 12 ARG H H 12 8.585 8.585 8.738 -0.153 25789
1651 1 7 . 1 1 13 13 GLU N N 13 122.312 122.312 118.781 3.531 25789
1652 1 7 . 1 1 13 13 GLU HA H 13 4.206 4.206 4.480 -0.274 25789
1653 1 7 . 1 1 13 13 GLU C C 13 175.542 175.542 174.200 1.342 25789
1654 1 7 . 1 1 13 13 GLU CA C 13 57.303 57.303 55.622 1.681 25789
1655 1 7 . 1 1 13 13 GLU CB C 13 30.201 30.201 31.798 -1.597 25789
1656 1 7 . 1 1 13 13 GLU H H 13 8.069 8.069 8.077 -0.008 25789
1657 1 7 . 1 1 14 14 TRP N N 14 126.929 126.929 126.928 0.001 25789
1658 1 7 . 1 1 14 14 TRP HA H 14 5.125 5.125 4.972 0.153 25789
1659 1 7 . 1 1 14 14 TRP C C 14 174.853 174.853 174.451 0.402 25789
1660 1 7 . 1 1 14 14 TRP CA C 14 56.388 56.388 56.190 0.198 25789
1661 1 7 . 1 1 14 14 TRP CB C 14 29.804 29.804 29.890 -0.086 25789
1662 1 7 . 1 1 14 14 TRP H H 14 8.823 8.823 8.897 -0.074 25789
1663 1 7 . 1 1 15 15 TYR N N 15 129.982 129.982 125.737 4.245 25789
1664 1 7 . 1 1 15 15 TYR HA H 15 4.522 4.522 4.763 -0.241 25789
1665 1 7 . 1 1 15 15 TYR CB C 15 38.301 38.301 39.721 -1.420 25789
1666 1 7 . 1 1 15 15 TYR H H 15 8.949 8.949 7.981 0.968 25789
1667 1 7 . 1 1 16 16 PRO HA H 16 4.094 4.094 4.797 -0.703 25789
1668 1 7 . 1 1 16 16 PRO C C 16 177.191 177.191 175.969 1.222 25789
1669 1 7 . 1 1 16 16 PRO CA C 16 62.523 62.523 61.917 0.606 25789
1670 1 7 . 1 1 16 16 PRO CB C 16 32.836 32.836 32.275 0.561 25789
1671 1 7 . 1 1 17 17 VAL N N 17 114.809 114.809 115.424 -0.615 25789
1672 1 7 . 1 1 17 17 VAL HA H 17 4.184 4.184 4.921 -0.737 25789
1673 1 7 . 1 1 17 17 VAL C C 17 172.678 172.678 173.641 -0.963 25789
1674 1 7 . 1 1 17 17 VAL CA C 17 60.249 60.249 58.777 1.472 25789
1675 1 7 . 1 1 17 17 VAL CB C 17 36.086 36.086 35.520 0.566 25789
1676 1 7 . 1 1 17 17 VAL H H 17 8.355 8.355 8.727 -0.372 25789
1677 1 7 . 1 1 18 18 CYS N N 18 123.493 123.493 119.086 4.407 25789
1678 1 7 . 1 1 18 18 CYS HA H 18 5.217 5.217 5.478 -0.261 25789
1679 1 7 . 1 1 18 18 CYS C C 18 175.720 175.720 174.979 0.741 25789
1680 1 7 . 1 1 18 18 CYS CA C 18 53.874 53.874 56.515 -2.641 25789
1681 1 7 . 1 1 18 18 CYS CB C 18 38.042 38.042 29.771 8.271 25789
1682 1 7 . 1 1 18 18 CYS H H 18 8.245 8.245 8.311 -0.066 25789
1683 1 7 . 1 1 19 19 GLY N N 19 116.182 116.182 113.076 3.106 25789
1684 1 7 . 1 1 19 19 GLY C C 19 176.356 176.356 174.905 1.451 25789
1685 1 7 . 1 1 19 19 GLY CA C 19 45.350 45.350 44.707 0.643 25789
1686 1 7 . 1 1 19 19 GLY H H 19 9.676 9.676 9.508 0.168 25789
1687 1 7 . 1 1 20 20 SER N N 20 119.167 119.167 118.072 1.095 25789
1688 1 7 . 1 1 20 20 SER HA H 20 4.147 4.147 4.252 -0.105 25789
1689 1 7 . 1 1 20 20 SER C C 20 173.922 173.922 175.285 -1.363 25789
1690 1 7 . 1 1 20 20 SER CA C 20 61.110 61.110 60.772 0.338 25789
1691 1 7 . 1 1 20 20 SER CB C 20 62.104 62.104 63.182 -1.078 25789
1692 1 7 . 1 1 20 20 SER H H 20 9.783 9.783 8.823 0.960 25789
1693 1 7 . 1 1 21 21 ASP N N 21 120.973 120.973 118.902 2.071 25789
1694 1 7 . 1 1 21 21 ASP HA H 21 4.512 4.512 4.636 -0.124 25789
1695 1 7 . 1 1 21 21 ASP C C 21 177.137 177.137 176.406 0.731 25789
1696 1 7 . 1 1 21 21 ASP CA C 21 53.514 53.514 54.127 -0.613 25789
1697 1 7 . 1 1 21 21 ASP CB C 21 39.784 39.784 41.139 -1.355 25789
1698 1 7 . 1 1 21 21 ASP H H 21 8.823 8.823 8.055 0.768 25789
1699 1 7 . 1 1 22 22 GLY N N 22 109.625 109.625 107.339 2.286 25789
1700 1 7 . 1 1 22 22 GLY C C 22 173.782 173.782 173.740 0.042 25789
1701 1 7 . 1 1 22 22 GLY CA C 22 45.916 45.916 45.094 0.822 25789
1702 1 7 . 1 1 22 22 GLY H H 22 8.448 8.448 8.387 0.061 25789
1703 1 7 . 1 1 23 23 VAL N N 23 124.643 124.643 119.519 5.124 25789
1704 1 7 . 1 1 23 23 VAL HA H 23 3.850 3.850 4.422 -0.572 25789
1705 1 7 . 1 1 23 23 VAL CA C 23 61.747 61.747 59.668 2.079 25789
1706 1 7 . 1 1 23 23 VAL CB C 23 33.045 33.045 34.727 -1.682 25789
1707 1 7 . 1 1 23 23 VAL H H 23 7.755 7.755 7.542 0.213 25789
1708 1 7 . 1 1 24 24 THR N N 24 124.128 124.128 125.332 -1.204 25789
1709 1 7 . 1 1 24 24 THR HA H 24 4.751 4.751 4.404 0.347 25789
1710 1 7 . 1 1 24 24 THR C C 24 174.674 174.674 173.593 1.081 25789
1711 1 7 . 1 1 24 24 THR CA C 24 62.517 62.517 63.464 -0.947 25789
1712 1 7 . 1 1 24 24 THR CB C 24 69.332 69.332 68.938 0.394 25789
1713 1 7 . 1 1 24 24 THR H H 24 8.204 8.204 8.214 -0.010 25789
1714 1 7 . 1 1 25 25 TYR N N 25 130.525 130.525 127.014 3.511 25789
1715 1 7 . 1 1 25 25 TYR HA H 25 4.580 4.580 4.592 -0.012 25789
1716 1 7 . 1 1 25 25 TYR C C 25 176.958 176.958 176.139 0.819 25789
1717 1 7 . 1 1 25 25 TYR CA C 25 58.112 58.112 57.087 1.025 25789
1718 1 7 . 1 1 25 25 TYR CB C 25 40.957 40.957 41.103 -0.146 25789
1719 1 7 . 1 1 25 25 TYR H H 25 9.528 9.528 9.007 0.521 25789
1720 1 7 . 1 1 26 26 SER N N 26 118.275 118.275 118.538 -0.263 25789
1721 1 7 . 1 1 26 26 SER HA H 26 3.688 3.688 3.693 -0.005 25789
1722 1 7 . 1 1 26 26 SER C C 26 172.371 172.371 172.743 -0.372 25789
1723 1 7 . 1 1 26 26 SER CA C 26 61.334 61.334 61.412 -0.078 25789
1724 1 7 . 1 1 26 26 SER CB C 26 63.624 63.624 63.827 -0.203 25789
1725 1 7 . 1 1 26 26 SER H H 26 9.300 9.300 8.563 0.737 25789
1726 1 7 . 1 1 27 27 ASN N N 27 109.467 109.467 110.794 -1.327 25789
1727 1 7 . 1 1 27 27 ASN HA H 27 5.456 5.456 5.611 -0.155 25789
1728 1 7 . 1 1 27 27 ASN CA C 27 51.882 51.882 51.861 0.021 25789
1729 1 7 . 1 1 27 27 ASN CB C 27 36.669 36.669 38.604 -1.935 25789
1730 1 7 . 1 1 27 27 ASN H H 27 7.341 7.341 7.459 -0.118 25789
1731 1 7 . 1 1 28 28 PRO HA H 28 4.225 4.225 4.194 0.031 25789
1732 1 7 . 1 1 28 28 PRO C C 28 177.600 177.600 178.352 -0.752 25789
1733 1 7 . 1 1 28 28 PRO CA C 28 65.794 65.794 66.028 -0.234 25789
1734 1 7 . 1 1 28 28 PRO CB C 28 32.317 32.317 31.454 0.863 25789
1735 1 7 . 1 1 29 29 CYS N N 29 120.684 120.684 117.036 3.648 25789
1736 1 7 . 1 1 29 29 CYS HA H 29 4.371 4.371 4.113 0.258 25789
1737 1 7 . 1 1 29 29 CYS C C 29 177.390 177.390 176.655 0.735 25789
1738 1 7 . 1 1 29 29 CYS CA C 29 60.240 60.240 62.108 -1.868 25789
1739 1 7 . 1 1 29 29 CYS CB C 29 36.524 36.524 26.450 10.074 25789
1740 1 7 . 1 1 29 29 CYS H H 29 8.275 8.275 8.402 -0.127 25789
1741 1 7 . 1 1 30 30 ASN N N 30 122.591 122.591 119.161 3.430 25789
1742 1 7 . 1 1 30 30 ASN HA H 30 4.515 4.515 4.454 0.061 25789
1743 1 7 . 1 1 30 30 ASN C C 30 178.484 178.484 177.265 1.219 25789
1744 1 7 . 1 1 30 30 ASN CA C 30 57.010 57.010 56.479 0.531 25789
1745 1 7 . 1 1 30 30 ASN CB C 30 39.559 39.559 38.834 0.724 25789
1746 1 7 . 1 1 30 30 ASN H H 30 8.653 8.653 8.914 -0.261 25789
1747 1 7 . 1 1 31 31 PHE N N 31 121.793 121.793 119.970 1.823 25789
1748 1 7 . 1 1 31 31 PHE HA H 31 3.222 3.222 3.217 0.005 25789
1749 1 7 . 1 1 31 31 PHE C C 31 175.893 175.893 177.124 -1.231 25789
1750 1 7 . 1 1 31 31 PHE CA C 31 61.887 61.887 60.974 0.913 25789
1751 1 7 . 1 1 31 31 PHE CB C 31 38.828 38.828 38.901 -0.073 25789
1752 1 7 . 1 1 31 31 PHE H H 31 7.848 7.848 7.980 -0.132 25789
1753 1 7 . 1 1 32 32 SER N N 32 116.875 116.875 115.625 1.250 25789
1754 1 7 . 1 1 32 32 SER HA H 32 3.785 3.785 3.930 -0.145 25789
1755 1 7 . 1 1 32 32 SER C C 32 175.874 175.874 176.187 -0.313 25789
1756 1 7 . 1 1 32 32 SER CA C 32 61.991 61.991 61.802 0.189 25789
1757 1 7 . 1 1 32 32 SER CB C 32 62.697 62.697 63.028 -0.331 25789
1758 1 7 . 1 1 32 32 SER H H 32 8.661 8.661 8.855 -0.194 25789
1759 1 7 . 1 1 33 33 ALA N N 33 122.924 122.924 123.061 -0.137 25789
1760 1 7 . 1 1 33 33 ALA HA H 33 3.877 3.877 4.239 -0.362 25789
1761 1 7 . 1 1 33 33 ALA C C 33 178.824 178.824 179.307 -0.483 25789
1762 1 7 . 1 1 33 33 ALA CA C 33 55.115 55.115 55.218 -0.103 25789
1763 1 7 . 1 1 33 33 ALA CB C 33 18.889 18.889 18.231 0.658 25789
1764 1 7 . 1 1 33 33 ALA H H 33 7.977 7.977 8.121 -0.144 25789
1765 1 7 . 1 1 34 34 GLN N N 34 119.261 119.261 118.688 0.573 25789
1766 1 7 . 1 1 34 34 GLN HA H 34 3.595 3.595 3.933 -0.338 25789
1767 1 7 . 1 1 34 34 GLN C C 34 178.745 178.745 178.213 0.532 25789
1768 1 7 . 1 1 34 34 GLN CA C 34 58.880 58.880 58.601 0.279 25789
1769 1 7 . 1 1 34 34 GLN CB C 34 27.349 27.349 28.651 -1.302 25789
1770 1 7 . 1 1 34 34 GLN H H 34 7.177 7.177 7.867 -0.690 25789
1771 1 7 . 1 1 35 35 GLN N N 35 122.346 122.346 118.433 3.913 25789
1772 1 7 . 1 1 35 35 GLN HA H 35 4.008 4.008 3.992 0.016 25789
1773 1 7 . 1 1 35 35 GLN C C 35 176.948 176.948 177.554 -0.606 25789
1774 1 7 . 1 1 35 35 GLN CA C 35 57.174 57.174 57.757 -0.583 25789
1775 1 7 . 1 1 35 35 GLN CB C 35 29.865 29.865 28.297 1.568 25789
1776 1 7 . 1 1 35 35 GLN H H 35 7.716 7.716 7.634 0.082 25789
1777 1 7 . 1 1 36 36 GLU N N 36 114.288 114.288 117.139 -2.851 25789
1778 1 7 . 1 1 36 36 GLU HA H 36 3.891 3.891 4.012 -0.121 25789
1779 1 7 . 1 1 36 36 GLU C C 36 179.191 179.191 178.356 0.835 25789
1780 1 7 . 1 1 36 36 GLU CA C 36 58.444 58.444 58.254 0.190 25789
1781 1 7 . 1 1 36 36 GLU CB C 36 30.860 30.860 29.382 1.478 25789
1782 1 7 . 1 1 36 36 GLU H H 36 8.239 8.239 8.087 0.152 25789
1783 1 7 . 1 1 37 37 GLN N N 37 112.767 112.767 115.874 -3.107 25789
1784 1 7 . 1 1 37 37 GLN HA H 37 4.382 4.382 4.345 0.037 25789
1785 1 7 . 1 1 37 37 GLN C C 37 177.125 177.125 176.604 0.521 25789
1786 1 7 . 1 1 37 37 GLN CA C 37 56.848 56.848 58.510 -1.662 25789
1787 1 7 . 1 1 37 37 GLN CB C 37 30.442 30.442 30.421 0.021 25789
1788 1 7 . 1 1 37 37 GLN H H 37 7.644 7.644 7.845 -0.201 25789
1789 1 7 . 1 1 38 38 CYS N N 38 115.172 115.172 115.669 -0.497 25789
1790 1 7 . 1 1 38 38 CYS HA H 38 5.033 5.033 5.134 -0.101 25789
1791 1 7 . 1 1 38 38 CYS C C 38 174.561 174.561 174.616 -0.055 25789
1792 1 7 . 1 1 38 38 CYS CA C 38 54.813 54.813 58.421 -3.608 25789
1793 1 7 . 1 1 38 38 CYS CB C 38 41.981 41.981 30.258 11.723 25789
1794 1 7 . 1 1 38 38 CYS H H 38 7.704 7.704 8.110 -0.406 25789
1795 1 7 . 1 1 39 39 ASP N N 39 118.112 118.112 120.282 -2.170 25789
1796 1 7 . 1 1 39 39 ASP HA H 39 5.035 5.035 5.099 -0.064 25789
1797 1 7 . 1 1 39 39 ASP CA C 39 51.652 51.652 51.834 -0.182 25789
1798 1 7 . 1 1 39 39 ASP CB C 39 41.995 41.995 41.480 0.514 25789
1799 1 7 . 1 1 39 39 ASP H H 39 7.824 7.824 7.819 0.005 25789
1800 1 7 . 1 1 40 40 PRO HA H 40 4.682 4.682 4.340 0.342 25789
1801 1 7 . 1 1 40 40 PRO C C 40 177.751 177.751 176.783 0.968 25789
1802 1 7 . 1 1 40 40 PRO CA C 40 63.531 63.531 63.889 -0.358 25789
1803 1 7 . 1 1 40 40 PRO CB C 40 32.479 32.479 32.182 0.297 25789
1804 1 7 . 1 1 41 41 ASN N N 41 114.538 114.538 114.618 -0.080 25789
1805 1 7 . 1 1 41 41 ASN HA H 41 4.710 4.710 4.658 0.052 25789
1806 1 7 . 1 1 41 41 ASN C C 41 175.877 175.877 175.512 0.365 25789
1807 1 7 . 1 1 41 41 ASN CA C 41 53.533 53.533 53.464 0.069 25789
1808 1 7 . 1 1 41 41 ASN CB C 41 39.317 39.317 38.725 0.592 25789
1809 1 7 . 1 1 41 41 ASN H H 41 8.183 8.183 8.230 -0.047 25789
1810 1 7 . 1 1 42 42 ILE N N 42 117.609 117.609 116.769 0.840 25789
1811 1 7 . 1 1 42 42 ILE HA H 42 4.188 4.188 4.436 -0.248 25789
1812 1 7 . 1 1 42 42 ILE C C 42 174.947 174.947 174.560 0.387 25789
1813 1 7 . 1 1 42 42 ILE CA C 42 62.863 62.863 60.339 2.524 25789
1814 1 7 . 1 1 42 42 ILE CB C 42 39.653 39.653 39.595 0.058 25789
1815 1 7 . 1 1 42 42 ILE H H 42 7.260 7.260 7.288 -0.028 25789
1816 1 7 . 1 1 43 43 THR N N 43 114.448 114.448 113.650 0.798 25789
1817 1 7 . 1 1 43 43 THR HA H 43 4.814 4.814 4.867 -0.053 25789
1818 1 7 . 1 1 43 43 THR C C 43 173.737 173.737 174.579 -0.842 25789
1819 1 7 . 1 1 43 43 THR CA C 43 60.118 60.118 59.093 1.025 25789
1820 1 7 . 1 1 43 43 THR CB C 43 72.559 72.559 71.337 1.222 25789
1821 1 7 . 1 1 43 43 THR H H 43 8.828 8.828 8.050 0.778 25789
1822 1 7 . 1 1 44 44 ILE N N 44 121.256 121.256 120.978 0.278 25789
1823 1 7 . 1 1 44 44 ILE HA H 44 3.475 3.475 3.527 -0.052 25789
1824 1 7 . 1 1 44 44 ILE C C 44 176.400 176.400 176.270 0.130 25789
1825 1 7 . 1 1 44 44 ILE CA C 44 62.849 62.849 62.363 0.486 25789
1826 1 7 . 1 1 44 44 ILE CB C 44 37.712 37.712 37.261 0.451 25789
1827 1 7 . 1 1 44 44 ILE H H 44 8.487 8.487 8.417 0.070 25789
1828 1 7 . 1 1 45 45 ALA N N 45 140.640 140.640 132.027 8.613 25789
1829 1 7 . 1 1 45 45 ALA HA H 45 4.210 4.210 4.279 -0.069 25789
1830 1 7 . 1 1 45 45 ALA C C 45 178.725 178.725 177.364 1.361 25789
1831 1 7 . 1 1 45 45 ALA CA C 45 54.537 54.537 53.542 0.995 25789
1832 1 7 . 1 1 45 45 ALA CB C 45 19.216 19.216 20.182 -0.966 25789
1833 1 7 . 1 1 45 45 ALA H H 45 9.195 9.195 8.843 0.352 25789
1834 1 7 . 1 1 46 46 HIS N N 46 106.909 106.909 109.929 -3.020 25789
1835 1 7 . 1 1 46 46 HIS HA H 46 4.608 4.608 4.715 -0.107 25789
1836 1 7 . 1 1 46 46 HIS C C 46 173.062 173.062 173.258 -0.196 25789
1837 1 7 . 1 1 46 46 HIS CA C 46 54.573 54.573 54.637 -0.064 25789
1838 1 7 . 1 1 46 46 HIS CB C 46 29.351 29.351 29.983 -0.632 25789
1839 1 7 . 1 1 46 46 HIS H H 46 7.240 7.240 7.351 -0.111 25789
1840 1 7 . 1 1 47 47 MET N N 47 119.326 119.326 119.829 -0.503 25789
1841 1 7 . 1 1 47 47 MET HA H 47 4.655 4.655 4.240 0.415 25789
1842 1 7 . 1 1 47 47 MET C C 47 179.036 179.036 177.495 1.541 25789
1843 1 7 . 1 1 47 47 MET CA C 47 54.965 54.965 55.150 -0.185 25789
1844 1 7 . 1 1 47 47 MET CB C 47 31.458 31.458 32.361 -0.903 25789
1845 1 7 . 1 1 47 47 MET H H 47 9.092 9.092 8.495 0.597 25789
1846 1 7 . 1 1 48 48 GLY N N 48 114.963 114.963 110.142 4.821 25789
1847 1 7 . 1 1 48 48 GLY C C 48 170.539 170.539 172.970 -2.431 25789
1848 1 7 . 1 1 48 48 GLY CA C 48 44.288 44.288 44.248 0.040 25789
1849 1 7 . 1 1 48 48 GLY H H 48 8.162 8.162 8.579 -0.417 25789
1850 1 7 . 1 1 49 49 GLU N N 49 113.303 113.303 119.511 -6.208 25789
1851 1 7 . 1 1 49 49 GLU HA H 49 3.971 3.971 4.051 -0.080 25789
1852 1 7 . 1 1 49 49 GLU C C 49 178.243 178.243 176.256 1.987 25789
1853 1 7 . 1 1 49 49 GLU CA C 49 56.770 56.770 55.985 0.785 25789
1854 1 7 . 1 1 49 49 GLU CB C 49 30.475 30.475 30.546 -0.071 25789
1855 1 7 . 1 1 49 49 GLU H H 49 8.225 8.225 8.401 -0.176 25789
1856 1 8 . 1 1 2 2 GLU N N 2 120.587 120.587 118.744 1.843 25789
1857 1 8 . 1 1 2 2 GLU HA H 2 4.778 4.778 4.001 0.777 25789
1858 1 8 . 1 1 2 2 GLU CA C 2 56.919 56.919 58.758 -1.839 25789
1859 1 8 . 1 1 2 2 GLU CB C 2 30.334 30.334 28.838 1.496 25789
1860 1 8 . 1 1 2 2 GLU H H 2 8.777 8.777 8.491 0.286 25789
1861 1 8 . 1 1 3 3 ASP N N 3 121.555 121.555 121.813 -0.258 25789
1862 1 8 . 1 1 3 3 ASP HA H 3 4.543 4.543 4.945 -0.402 25789
1863 1 8 . 1 1 3 3 ASP H H 3 8.491 8.491 8.061 0.430 25789
1864 1 8 . 1 1 4 4 CYS N N 4 122.792 122.792 121.083 1.709 25789
1865 1 8 . 1 1 4 4 CYS HA H 4 4.587 4.587 4.686 -0.099 25789
1866 1 8 . 1 1 4 4 CYS C C 4 173.506 173.506 173.314 0.192 25789
1867 1 8 . 1 1 4 4 CYS CA C 4 57.905 57.905 57.347 0.558 25789
1868 1 8 . 1 1 4 4 CYS CB C 4 38.220 38.220 29.455 8.765 25789
1869 1 8 . 1 1 4 4 CYS H H 4 8.347 8.347 8.383 -0.036 25789
1870 1 8 . 1 1 5 5 VAL N N 5 130.233 130.233 125.644 4.589 25789
1871 1 8 . 1 1 5 5 VAL HA H 5 4.591 4.591 4.294 0.297 25789
1872 1 8 . 1 1 5 5 VAL C C 5 175.872 175.872 176.738 -0.866 25789
1873 1 8 . 1 1 5 5 VAL CA C 5 61.756 61.756 61.483 0.273 25789
1874 1 8 . 1 1 5 5 VAL CB C 5 34.641 34.641 33.018 1.623 25789
1875 1 8 . 1 1 5 5 VAL H H 5 8.597 8.597 8.516 0.081 25789
1876 1 8 . 1 1 6 6 GLY N N 6 115.595 115.595 116.643 -1.048 25789
1877 1 8 . 1 1 6 6 GLY C C 6 173.454 173.454 172.326 1.128 25789
1878 1 8 . 1 1 6 6 GLY CA C 6 45.527 45.527 44.876 0.651 25789
1879 1 8 . 1 1 6 6 GLY H H 6 8.836 8.836 8.223 0.613 25789
1880 1 8 . 1 1 7 7 ARG N N 7 124.372 124.372 122.829 1.543 25789
1881 1 8 . 1 1 7 7 ARG HA H 7 4.637 4.637 4.728 -0.091 25789
1882 1 8 . 1 1 7 7 ARG C C 7 175.190 175.190 174.214 0.976 25789
1883 1 8 . 1 1 7 7 ARG CA C 7 55.528 55.528 54.847 0.681 25789
1884 1 8 . 1 1 7 7 ARG CB C 7 32.434 32.434 32.457 -0.023 25789
1885 1 8 . 1 1 7 7 ARG H H 7 8.760 8.760 8.298 0.462 25789
1886 1 8 . 1 1 8 8 LYS N N 8 126.364 126.364 124.259 2.105 25789
1887 1 8 . 1 1 8 8 LYS HA H 8 4.435 4.435 4.496 -0.061 25789
1888 1 8 . 1 1 8 8 LYS C C 8 174.455 174.455 175.355 -0.900 25789
1889 1 8 . 1 1 8 8 LYS CA C 8 55.630 55.630 54.808 0.822 25789
1890 1 8 . 1 1 8 8 LYS CB C 8 36.088 36.088 33.989 2.099 25789
1891 1 8 . 1 1 8 8 LYS H H 8 8.497 8.497 8.540 -0.043 25789
1892 1 8 . 1 1 9 9 ALA N N 9 126.059 126.059 126.334 -0.275 25789
1893 1 8 . 1 1 9 9 ALA HA H 9 4.462 4.462 4.555 -0.093 25789
1894 1 8 . 1 1 9 9 ALA C C 9 176.690 176.690 177.176 -0.486 25789
1895 1 8 . 1 1 9 9 ALA CA C 9 52.255 52.255 51.867 0.388 25789
1896 1 8 . 1 1 9 9 ALA CB C 9 17.072 17.072 19.355 -2.283 25789
1897 1 8 . 1 1 9 9 ALA H H 9 8.339 8.339 8.344 -0.005 25789
1898 1 8 . 1 1 10 10 CYS N N 10 123.013 123.013 124.543 -1.530 25789
1899 1 8 . 1 1 10 10 CYS HA H 10 5.070 5.070 4.750 0.320 25789
1900 1 8 . 1 1 10 10 CYS C C 10 175.913 175.913 173.812 2.101 25789
1901 1 8 . 1 1 10 10 CYS CA C 10 52.909 52.909 58.501 -5.592 25789
1902 1 8 . 1 1 10 10 CYS CB C 10 41.080 41.080 29.558 11.522 25789
1903 1 8 . 1 1 10 10 CYS H H 10 8.103 8.103 8.616 -0.513 25789
1904 1 8 . 1 1 11 11 THR N N 11 113.789 113.789 120.033 -6.244 25789
1905 1 8 . 1 1 11 11 THR HA H 11 4.510 4.510 4.687 -0.177 25789
1906 1 8 . 1 1 11 11 THR C C 11 174.887 174.887 173.828 1.059 25789
1907 1 8 . 1 1 11 11 THR CA C 11 61.918 61.918 62.638 -0.720 25789
1908 1 8 . 1 1 11 11 THR CB C 11 69.543 69.543 68.496 1.047 25789
1909 1 8 . 1 1 11 11 THR H H 11 8.272 8.272 8.369 -0.097 25789
1910 1 8 . 1 1 12 12 ARG N N 12 120.274 120.274 121.462 -1.188 25789
1911 1 8 . 1 1 12 12 ARG HA H 12 4.451 4.451 4.540 -0.089 25789
1912 1 8 . 1 1 12 12 ARG C C 12 176.188 176.188 175.764 0.424 25789
1913 1 8 . 1 1 12 12 ARG CA C 12 55.853 55.853 56.575 -0.722 25789
1914 1 8 . 1 1 12 12 ARG CB C 12 29.473 29.473 31.247 -1.774 25789
1915 1 8 . 1 1 12 12 ARG H H 12 8.585 8.585 8.549 0.036 25789
1916 1 8 . 1 1 13 13 GLU N N 13 122.312 122.312 119.171 3.141 25789
1917 1 8 . 1 1 13 13 GLU HA H 13 4.206 4.206 4.409 -0.203 25789
1918 1 8 . 1 1 13 13 GLU C C 13 175.542 175.542 174.292 1.250 25789
1919 1 8 . 1 1 13 13 GLU CA C 13 57.303 57.303 54.570 2.733 25789
1920 1 8 . 1 1 13 13 GLU CB C 13 30.201 30.201 32.075 -1.874 25789
1921 1 8 . 1 1 13 13 GLU H H 13 8.069 8.069 7.698 0.371 25789
1922 1 8 . 1 1 14 14 TRP N N 14 126.929 126.929 127.027 -0.098 25789
1923 1 8 . 1 1 14 14 TRP HA H 14 5.125 5.125 4.969 0.156 25789
1924 1 8 . 1 1 14 14 TRP C C 14 174.853 174.853 174.333 0.520 25789
1925 1 8 . 1 1 14 14 TRP CA C 14 56.388 56.388 55.689 0.699 25789
1926 1 8 . 1 1 14 14 TRP CB C 14 29.804 29.804 29.973 -0.169 25789
1927 1 8 . 1 1 14 14 TRP H H 14 8.823 8.823 8.544 0.279 25789
1928 1 8 . 1 1 15 15 TYR N N 15 129.982 129.982 125.007 4.975 25789
1929 1 8 . 1 1 15 15 TYR HA H 15 4.522 4.522 4.766 -0.244 25789
1930 1 8 . 1 1 15 15 TYR CB C 15 38.301 38.301 39.169 -0.868 25789
1931 1 8 . 1 1 15 15 TYR H H 15 8.949 8.949 7.791 1.158 25789
1932 1 8 . 1 1 16 16 PRO HA H 16 4.094 4.094 4.824 -0.730 25789
1933 1 8 . 1 1 16 16 PRO C C 16 177.191 177.191 175.712 1.479 25789
1934 1 8 . 1 1 16 16 PRO CA C 16 62.523 62.523 61.822 0.701 25789
1935 1 8 . 1 1 16 16 PRO CB C 16 32.836 32.836 32.620 0.216 25789
1936 1 8 . 1 1 17 17 VAL N N 17 114.809 114.809 114.421 0.388 25789
1937 1 8 . 1 1 17 17 VAL HA H 17 4.184 4.184 4.834 -0.650 25789
1938 1 8 . 1 1 17 17 VAL C C 17 172.678 172.678 173.744 -1.066 25789
1939 1 8 . 1 1 17 17 VAL CA C 17 60.249 60.249 58.507 1.742 25789
1940 1 8 . 1 1 17 17 VAL CB C 17 36.086 36.086 35.340 0.746 25789
1941 1 8 . 1 1 17 17 VAL H H 17 8.355 8.355 8.285 0.070 25789
1942 1 8 . 1 1 18 18 CYS N N 18 123.493 123.493 119.786 3.707 25789
1943 1 8 . 1 1 18 18 CYS HA H 18 5.217 5.217 5.398 -0.181 25789
1944 1 8 . 1 1 18 18 CYS C C 18 175.720 175.720 175.288 0.432 25789
1945 1 8 . 1 1 18 18 CYS CA C 18 53.874 53.874 56.123 -2.249 25789
1946 1 8 . 1 1 18 18 CYS CB C 18 38.042 38.042 28.835 9.207 25789
1947 1 8 . 1 1 18 18 CYS H H 18 8.245 8.245 8.400 -0.155 25789
1948 1 8 . 1 1 19 19 GLY N N 19 116.182 116.182 114.239 1.943 25789
1949 1 8 . 1 1 19 19 GLY C C 19 176.356 176.356 174.821 1.535 25789
1950 1 8 . 1 1 19 19 GLY CA C 19 45.350 45.350 44.665 0.685 25789
1951 1 8 . 1 1 19 19 GLY H H 19 9.676 9.676 9.517 0.159 25789
1952 1 8 . 1 1 20 20 SER N N 20 119.167 119.167 119.368 -0.201 25789
1953 1 8 . 1 1 20 20 SER HA H 20 4.147 4.147 4.262 -0.115 25789
1954 1 8 . 1 1 20 20 SER C C 20 173.922 173.922 175.128 -1.206 25789
1955 1 8 . 1 1 20 20 SER CA C 20 61.110 61.110 60.795 0.315 25789
1956 1 8 . 1 1 20 20 SER CB C 20 62.104 62.104 63.215 -1.111 25789
1957 1 8 . 1 1 20 20 SER H H 20 9.783 9.783 9.065 0.718 25789
1958 1 8 . 1 1 21 21 ASP N N 21 120.973 120.973 119.185 1.788 25789
1959 1 8 . 1 1 21 21 ASP HA H 21 4.512 4.512 4.616 -0.104 25789
1960 1 8 . 1 1 21 21 ASP C C 21 177.137 177.137 176.474 0.663 25789
1961 1 8 . 1 1 21 21 ASP CA C 21 53.514 53.514 54.169 -0.655 25789
1962 1 8 . 1 1 21 21 ASP CB C 21 39.784 39.784 41.106 -1.322 25789
1963 1 8 . 1 1 21 21 ASP H H 21 8.823 8.823 8.119 0.704 25789
1964 1 8 . 1 1 22 22 GLY N N 22 109.625 109.625 107.805 1.820 25789
1965 1 8 . 1 1 22 22 GLY C C 22 173.782 173.782 173.663 0.119 25789
1966 1 8 . 1 1 22 22 GLY CA C 22 45.916 45.916 45.040 0.876 25789
1967 1 8 . 1 1 22 22 GLY H H 22 8.448 8.448 8.400 0.048 25789
1968 1 8 . 1 1 23 23 VAL N N 23 124.643 124.643 120.754 3.889 25789
1969 1 8 . 1 1 23 23 VAL HA H 23 3.850 3.850 4.385 -0.535 25789
1970 1 8 . 1 1 23 23 VAL CA C 23 61.747 61.747 59.862 1.885 25789
1971 1 8 . 1 1 23 23 VAL CB C 23 33.045 33.045 34.021 -0.976 25789
1972 1 8 . 1 1 23 23 VAL H H 23 7.755 7.755 7.636 0.119 25789
1973 1 8 . 1 1 24 24 THR N N 24 124.128 124.128 125.610 -1.482 25789
1974 1 8 . 1 1 24 24 THR HA H 24 4.751 4.751 4.381 0.370 25789
1975 1 8 . 1 1 24 24 THR C C 24 174.674 174.674 173.618 1.056 25789
1976 1 8 . 1 1 24 24 THR CA C 24 62.517 62.517 62.704 -0.187 25789
1977 1 8 . 1 1 24 24 THR CB C 24 69.332 69.332 68.956 0.376 25789
1978 1 8 . 1 1 24 24 THR H H 24 8.204 8.204 8.491 -0.287 25789
1979 1 8 . 1 1 25 25 TYR N N 25 130.525 130.525 127.878 2.647 25789
1980 1 8 . 1 1 25 25 TYR HA H 25 4.580 4.580 4.620 -0.040 25789
1981 1 8 . 1 1 25 25 TYR C C 25 176.958 176.958 176.122 0.836 25789
1982 1 8 . 1 1 25 25 TYR CA C 25 58.112 58.112 57.495 0.617 25789
1983 1 8 . 1 1 25 25 TYR CB C 25 40.957 40.957 39.734 1.222 25789
1984 1 8 . 1 1 25 25 TYR H H 25 9.528 9.528 9.183 0.345 25789
1985 1 8 . 1 1 26 26 SER N N 26 118.275 118.275 119.103 -0.828 25789
1986 1 8 . 1 1 26 26 SER HA H 26 3.688 3.688 3.611 0.077 25789
1987 1 8 . 1 1 26 26 SER C C 26 172.371 172.371 172.816 -0.445 25789
1988 1 8 . 1 1 26 26 SER CA C 26 61.334 61.334 61.748 -0.414 25789
1989 1 8 . 1 1 26 26 SER CB C 26 63.624 63.624 63.599 0.025 25789
1990 1 8 . 1 1 26 26 SER H H 26 9.300 9.300 8.742 0.558 25789
1991 1 8 . 1 1 27 27 ASN N N 27 109.467 109.467 111.314 -1.847 25789
1992 1 8 . 1 1 27 27 ASN HA H 27 5.456 5.456 5.417 0.039 25789
1993 1 8 . 1 1 27 27 ASN CA C 27 51.882 51.882 51.547 0.335 25789
1994 1 8 . 1 1 27 27 ASN CB C 27 36.669 36.669 37.543 -0.874 25789
1995 1 8 . 1 1 27 27 ASN H H 27 7.341 7.341 7.515 -0.174 25789
1996 1 8 . 1 1 28 28 PRO HA H 28 4.225 4.225 4.214 0.011 25789
1997 1 8 . 1 1 28 28 PRO C C 28 177.600 177.600 178.402 -0.802 25789
1998 1 8 . 1 1 28 28 PRO CA C 28 65.794 65.794 65.940 -0.146 25789
1999 1 8 . 1 1 28 28 PRO CB C 28 32.317 32.317 31.409 0.908 25789
2000 1 8 . 1 1 29 29 CYS N N 29 120.684 120.684 118.038 2.646 25789
2001 1 8 . 1 1 29 29 CYS HA H 29 4.371 4.371 4.130 0.241 25789
2002 1 8 . 1 1 29 29 CYS C C 29 177.390 177.390 176.623 0.767 25789
2003 1 8 . 1 1 29 29 CYS CA C 29 60.240 60.240 62.064 -1.824 25789
2004 1 8 . 1 1 29 29 CYS CB C 29 36.524 36.524 26.499 10.025 25789
2005 1 8 . 1 1 29 29 CYS H H 29 8.275 8.275 8.449 -0.174 25789
2006 1 8 . 1 1 30 30 ASN N N 30 122.591 122.591 119.005 3.586 25789
2007 1 8 . 1 1 30 30 ASN HA H 30 4.515 4.515 4.481 0.034 25789
2008 1 8 . 1 1 30 30 ASN C C 30 178.484 178.484 177.305 1.179 25789
2009 1 8 . 1 1 30 30 ASN CA C 30 57.010 57.010 56.409 0.601 25789
2010 1 8 . 1 1 30 30 ASN CB C 30 39.559 39.559 38.860 0.699 25789
2011 1 8 . 1 1 30 30 ASN H H 30 8.653 8.653 8.844 -0.191 25789
2012 1 8 . 1 1 31 31 PHE N N 31 121.793 121.793 120.626 1.167 25789
2013 1 8 . 1 1 31 31 PHE HA H 31 3.222 3.222 3.159 0.063 25789
2014 1 8 . 1 1 31 31 PHE C C 31 175.893 175.893 177.037 -1.144 25789
2015 1 8 . 1 1 31 31 PHE CA C 31 61.887 61.887 60.893 0.994 25789
2016 1 8 . 1 1 31 31 PHE CB C 31 38.828 38.828 39.061 -0.233 25789
2017 1 8 . 1 1 31 31 PHE H H 31 7.848 7.848 8.194 -0.346 25789
2018 1 8 . 1 1 32 32 SER N N 32 116.875 116.875 115.181 1.694 25789
2019 1 8 . 1 1 32 32 SER HA H 32 3.785 3.785 4.013 -0.228 25789
2020 1 8 . 1 1 32 32 SER C C 32 175.874 175.874 176.665 -0.791 25789
2021 1 8 . 1 1 32 32 SER CA C 32 61.991 61.991 62.008 -0.017 25789
2022 1 8 . 1 1 32 32 SER CB C 32 62.697 62.697 63.155 -0.458 25789
2023 1 8 . 1 1 32 32 SER H H 32 8.661 8.661 8.718 -0.057 25789
2024 1 8 . 1 1 33 33 ALA N N 33 122.924 122.924 123.309 -0.385 25789
2025 1 8 . 1 1 33 33 ALA HA H 33 3.877 3.877 4.089 -0.212 25789
2026 1 8 . 1 1 33 33 ALA C C 33 178.824 178.824 179.536 -0.712 25789
2027 1 8 . 1 1 33 33 ALA CA C 33 55.115 55.115 55.216 -0.101 25789
2028 1 8 . 1 1 33 33 ALA CB C 33 18.889 18.889 18.115 0.774 25789
2029 1 8 . 1 1 33 33 ALA H H 33 7.977 7.977 8.121 -0.144 25789
2030 1 8 . 1 1 34 34 GLN N N 34 119.261 119.261 118.989 0.272 25789
2031 1 8 . 1 1 34 34 GLN HA H 34 3.595 3.595 4.018 -0.423 25789
2032 1 8 . 1 1 34 34 GLN C C 34 178.745 178.745 178.379 0.366 25789
2033 1 8 . 1 1 34 34 GLN CA C 34 58.880 58.880 58.369 0.511 25789
2034 1 8 . 1 1 34 34 GLN CB C 34 27.349 27.349 28.249 -0.900 25789
2035 1 8 . 1 1 34 34 GLN H H 34 7.177 7.177 8.025 -0.848 25789
2036 1 8 . 1 1 35 35 GLN N N 35 122.346 122.346 118.206 4.140 25789
2037 1 8 . 1 1 35 35 GLN HA H 35 4.008 4.008 4.033 -0.025 25789
2038 1 8 . 1 1 35 35 GLN C C 35 176.948 176.948 177.538 -0.590 25789
2039 1 8 . 1 1 35 35 GLN CA C 35 57.174 57.174 57.937 -0.763 25789
2040 1 8 . 1 1 35 35 GLN CB C 35 29.865 29.865 28.427 1.438 25789
2041 1 8 . 1 1 35 35 GLN H H 35 7.716 7.716 7.610 0.106 25789
2042 1 8 . 1 1 36 36 GLU N N 36 114.288 114.288 117.096 -2.808 25789
2043 1 8 . 1 1 36 36 GLU HA H 36 3.891 3.891 4.015 -0.124 25789
2044 1 8 . 1 1 36 36 GLU C C 36 179.191 179.191 178.099 1.092 25789
2045 1 8 . 1 1 36 36 GLU CA C 36 58.444 58.444 58.174 0.270 25789
2046 1 8 . 1 1 36 36 GLU CB C 36 30.860 30.860 29.383 1.477 25789
2047 1 8 . 1 1 36 36 GLU H H 36 8.239 8.239 8.175 0.064 25789
2048 1 8 . 1 1 37 37 GLN N N 37 112.767 112.767 117.073 -4.306 25789
2049 1 8 . 1 1 37 37 GLN HA H 37 4.382 4.382 4.382 -0.000 25789
2050 1 8 . 1 1 37 37 GLN C C 37 177.125 177.125 175.851 1.274 25789
2051 1 8 . 1 1 37 37 GLN CA C 37 56.848 56.848 57.904 -1.056 25789
2052 1 8 . 1 1 37 37 GLN CB C 37 30.442 30.442 30.016 0.426 25789
2053 1 8 . 1 1 37 37 GLN H H 37 7.644 7.644 7.919 -0.275 25789
2054 1 8 . 1 1 38 38 CYS N N 38 115.172 115.172 114.054 1.118 25789
2055 1 8 . 1 1 38 38 CYS HA H 38 5.033 5.033 5.068 -0.035 25789
2056 1 8 . 1 1 38 38 CYS C C 38 174.561 174.561 174.350 0.211 25789
2057 1 8 . 1 1 38 38 CYS CA C 38 54.813 54.813 58.204 -3.391 25789
2058 1 8 . 1 1 38 38 CYS CB C 38 41.981 41.981 31.015 10.966 25789
2059 1 8 . 1 1 38 38 CYS H H 38 7.704 7.704 7.652 0.052 25789
2060 1 8 . 1 1 39 39 ASP N N 39 118.112 118.112 121.058 -2.946 25789
2061 1 8 . 1 1 39 39 ASP HA H 39 5.035 5.035 5.147 -0.112 25789
2062 1 8 . 1 1 39 39 ASP CA C 39 51.652 51.652 52.655 -1.003 25789
2063 1 8 . 1 1 39 39 ASP CB C 39 41.995 41.995 41.448 0.547 25789
2064 1 8 . 1 1 39 39 ASP H H 39 7.824 7.824 8.094 -0.270 25789
2065 1 8 . 1 1 40 40 PRO HA H 40 4.682 4.682 4.332 0.350 25789
2066 1 8 . 1 1 40 40 PRO C C 40 177.751 177.751 176.678 1.073 25789
2067 1 8 . 1 1 40 40 PRO CA C 40 63.531 63.531 64.247 -0.716 25789
2068 1 8 . 1 1 40 40 PRO CB C 40 32.479 32.479 31.968 0.511 25789
2069 1 8 . 1 1 41 41 ASN N N 41 114.538 114.538 115.346 -0.808 25789
2070 1 8 . 1 1 41 41 ASN HA H 41 4.710 4.710 4.747 -0.037 25789
2071 1 8 . 1 1 41 41 ASN C C 41 175.877 175.877 175.750 0.127 25789
2072 1 8 . 1 1 41 41 ASN CA C 41 53.533 53.533 53.504 0.029 25789
2073 1 8 . 1 1 41 41 ASN CB C 41 39.317 39.317 38.963 0.354 25789
2074 1 8 . 1 1 41 41 ASN H H 41 8.183 8.183 8.359 -0.176 25789
2075 1 8 . 1 1 42 42 ILE N N 42 117.609 117.609 116.320 1.289 25789
2076 1 8 . 1 1 42 42 ILE HA H 42 4.188 4.188 4.331 -0.143 25789
2077 1 8 . 1 1 42 42 ILE C C 42 174.947 174.947 174.463 0.484 25789
2078 1 8 . 1 1 42 42 ILE CA C 42 62.863 62.863 60.106 2.757 25789
2079 1 8 . 1 1 42 42 ILE CB C 42 39.653 39.653 39.085 0.568 25789
2080 1 8 . 1 1 42 42 ILE H H 42 7.260 7.260 7.335 -0.075 25789
2081 1 8 . 1 1 43 43 THR N N 43 114.448 114.448 111.221 3.227 25789
2082 1 8 . 1 1 43 43 THR HA H 43 4.814 4.814 4.776 0.038 25789
2083 1 8 . 1 1 43 43 THR C C 43 173.737 173.737 173.701 0.036 25789
2084 1 8 . 1 1 43 43 THR CA C 43 60.118 60.118 59.725 0.393 25789
2085 1 8 . 1 1 43 43 THR CB C 43 72.559 72.559 71.061 1.498 25789
2086 1 8 . 1 1 43 43 THR H H 43 8.828 8.828 8.150 0.678 25789
2087 1 8 . 1 1 44 44 ILE N N 44 121.256 121.256 121.393 -0.137 25789
2088 1 8 . 1 1 44 44 ILE HA H 44 3.475 3.475 4.044 -0.569 25789
2089 1 8 . 1 1 44 44 ILE C C 44 176.400 176.400 176.336 0.064 25789
2090 1 8 . 1 1 44 44 ILE CA C 44 62.849 62.849 61.707 1.142 25789
2091 1 8 . 1 1 44 44 ILE CB C 44 37.712 37.712 37.187 0.525 25789
2092 1 8 . 1 1 44 44 ILE H H 44 8.487 8.487 8.454 0.033 25789
2093 1 8 . 1 1 45 45 ALA N N 45 140.640 140.640 132.446 8.194 25789
2094 1 8 . 1 1 45 45 ALA HA H 45 4.210 4.210 4.304 -0.094 25789
2095 1 8 . 1 1 45 45 ALA C C 45 178.725 178.725 177.093 1.632 25789
2096 1 8 . 1 1 45 45 ALA CA C 45 54.537 54.537 53.480 1.057 25789
2097 1 8 . 1 1 45 45 ALA CB C 45 19.216 19.216 20.296 -1.080 25789
2098 1 8 . 1 1 45 45 ALA H H 45 9.195 9.195 8.937 0.258 25789
2099 1 8 . 1 1 46 46 HIS N N 46 106.909 106.909 109.941 -3.032 25789
2100 1 8 . 1 1 46 46 HIS HA H 46 4.608 4.608 4.729 -0.121 25789
2101 1 8 . 1 1 46 46 HIS C C 46 173.062 173.062 173.217 -0.155 25789
2102 1 8 . 1 1 46 46 HIS CA C 46 54.573 54.573 54.775 -0.202 25789
2103 1 8 . 1 1 46 46 HIS CB C 46 29.351 29.351 29.848 -0.497 25789
2104 1 8 . 1 1 46 46 HIS H H 46 7.240 7.240 7.360 -0.120 25789
2105 1 8 . 1 1 47 47 MET N N 47 119.326 119.326 119.862 -0.536 25789
2106 1 8 . 1 1 47 47 MET HA H 47 4.655 4.655 4.223 0.432 25789
2107 1 8 . 1 1 47 47 MET C C 47 179.036 179.036 177.639 1.397 25789
2108 1 8 . 1 1 47 47 MET CA C 47 54.965 54.965 55.225 -0.260 25789
2109 1 8 . 1 1 47 47 MET CB C 47 31.458 31.458 32.344 -0.886 25789
2110 1 8 . 1 1 47 47 MET H H 47 9.092 9.092 8.559 0.533 25789
2111 1 8 . 1 1 48 48 GLY N N 48 114.963 114.963 108.318 6.645 25789
2112 1 8 . 1 1 48 48 GLY C C 48 170.539 170.539 173.051 -2.512 25789
2113 1 8 . 1 1 48 48 GLY CA C 48 44.288 44.288 44.330 -0.042 25789
2114 1 8 . 1 1 48 48 GLY H H 48 8.162 8.162 7.978 0.184 25789
2115 1 8 . 1 1 49 49 GLU N N 49 113.303 113.303 119.645 -6.342 25789
2116 1 8 . 1 1 49 49 GLU HA H 49 3.971 3.971 4.034 -0.063 25789
2117 1 8 . 1 1 49 49 GLU C C 49 178.243 178.243 176.857 1.386 25789
2118 1 8 . 1 1 49 49 GLU CA C 49 56.770 56.770 55.910 0.860 25789
2119 1 8 . 1 1 49 49 GLU CB C 49 30.475 30.475 30.125 0.350 25789
2120 1 8 . 1 1 49 49 GLU H H 49 8.225 8.225 8.487 -0.262 25789
2121 1 9 . 1 1 2 2 GLU N N 2 120.587 120.587 119.546 1.041 25789
2122 1 9 . 1 1 2 2 GLU HA H 2 4.778 4.778 4.613 0.165 25789
2123 1 9 . 1 1 2 2 GLU CA C 2 56.919 56.919 56.173 0.746 25789
2124 1 9 . 1 1 2 2 GLU CB C 2 30.334 30.334 31.328 -0.994 25789
2125 1 9 . 1 1 2 2 GLU H H 2 8.777 8.777 8.352 0.425 25789
2126 1 9 . 1 1 3 3 ASP N N 3 121.555 121.555 119.833 1.722 25789
2127 1 9 . 1 1 3 3 ASP HA H 3 4.543 4.543 4.896 -0.353 25789
2128 1 9 . 1 1 3 3 ASP H H 3 8.491 8.491 8.226 0.265 25789
2129 1 9 . 1 1 4 4 CYS N N 4 122.792 122.792 120.630 2.162 25789
2130 1 9 . 1 1 4 4 CYS HA H 4 4.587 4.587 4.805 -0.218 25789
2131 1 9 . 1 1 4 4 CYS C C 4 173.506 173.506 172.770 0.736 25789
2132 1 9 . 1 1 4 4 CYS CA C 4 57.905 57.905 57.383 0.522 25789
2133 1 9 . 1 1 4 4 CYS CB C 4 38.220 38.220 30.554 7.666 25789
2134 1 9 . 1 1 4 4 CYS H H 4 8.347 8.347 8.407 -0.060 25789
2135 1 9 . 1 1 5 5 VAL N N 5 130.233 130.233 123.781 6.452 25789
2136 1 9 . 1 1 5 5 VAL HA H 5 4.591 4.591 4.341 0.250 25789
2137 1 9 . 1 1 5 5 VAL C C 5 175.872 175.872 175.262 0.610 25789
2138 1 9 . 1 1 5 5 VAL CA C 5 61.756 61.756 61.741 0.015 25789
2139 1 9 . 1 1 5 5 VAL CB C 5 34.641 34.641 33.277 1.364 25789
2140 1 9 . 1 1 5 5 VAL H H 5 8.597 8.597 8.265 0.332 25789
2141 1 9 . 1 1 6 6 GLY N N 6 115.595 115.595 115.451 0.144 25789
2142 1 9 . 1 1 6 6 GLY C C 6 173.454 173.454 173.033 0.421 25789
2143 1 9 . 1 1 6 6 GLY CA C 6 45.527 45.527 44.715 0.812 25789
2144 1 9 . 1 1 6 6 GLY H H 6 8.836 8.836 8.593 0.243 25789
2145 1 9 . 1 1 7 7 ARG N N 7 124.372 124.372 122.651 1.721 25789
2146 1 9 . 1 1 7 7 ARG HA H 7 4.637 4.637 4.642 -0.005 25789
2147 1 9 . 1 1 7 7 ARG C C 7 175.190 175.190 174.785 0.405 25789
2148 1 9 . 1 1 7 7 ARG CA C 7 55.528 55.528 55.258 0.271 25789
2149 1 9 . 1 1 7 7 ARG CB C 7 32.434 32.434 32.334 0.100 25789
2150 1 9 . 1 1 7 7 ARG H H 7 8.760 8.760 8.378 0.382 25789
2151 1 9 . 1 1 8 8 LYS N N 8 126.364 126.364 123.112 3.252 25789
2152 1 9 . 1 1 8 8 LYS HA H 8 4.435 4.435 4.491 -0.056 25789
2153 1 9 . 1 1 8 8 LYS C C 8 174.455 174.455 175.761 -1.306 25789
2154 1 9 . 1 1 8 8 LYS CA C 8 55.630 55.630 54.534 1.096 25789
2155 1 9 . 1 1 8 8 LYS CB C 8 36.088 36.088 33.470 2.618 25789
2156 1 9 . 1 1 8 8 LYS H H 8 8.497 8.497 8.848 -0.351 25789
2157 1 9 . 1 1 9 9 ALA N N 9 126.059 126.059 126.316 -0.257 25789
2158 1 9 . 1 1 9 9 ALA HA H 9 4.462 4.462 4.371 0.091 25789
2159 1 9 . 1 1 9 9 ALA C C 9 176.690 176.690 176.982 -0.292 25789
2160 1 9 . 1 1 9 9 ALA CA C 9 52.255 52.255 52.181 0.074 25789
2161 1 9 . 1 1 9 9 ALA CB C 9 17.072 17.072 19.024 -1.952 25789
2162 1 9 . 1 1 9 9 ALA H H 9 8.339 8.339 8.455 -0.116 25789
2163 1 9 . 1 1 10 10 CYS N N 10 123.013 123.013 122.203 0.810 25789
2164 1 9 . 1 1 10 10 CYS HA H 10 5.070 5.070 4.761 0.309 25789
2165 1 9 . 1 1 10 10 CYS C C 10 175.913 175.913 174.290 1.623 25789
2166 1 9 . 1 1 10 10 CYS CA C 10 52.909 52.909 59.133 -6.224 25789
2167 1 9 . 1 1 10 10 CYS CB C 10 41.080 41.080 30.437 10.643 25789
2168 1 9 . 1 1 10 10 CYS H H 10 8.103 8.103 8.600 -0.497 25789
2169 1 9 . 1 1 11 11 THR N N 11 113.789 113.789 115.116 -1.327 25789
2170 1 9 . 1 1 11 11 THR HA H 11 4.510 4.510 4.780 -0.270 25789
2171 1 9 . 1 1 11 11 THR C C 11 174.887 174.887 174.577 0.310 25789
2172 1 9 . 1 1 11 11 THR CA C 11 61.918 61.918 62.403 -0.485 25789
2173 1 9 . 1 1 11 11 THR CB C 11 69.543 69.543 69.176 0.367 25789
2174 1 9 . 1 1 11 11 THR H H 11 8.272 8.272 8.353 -0.081 25789
2175 1 9 . 1 1 12 12 ARG N N 12 120.274 120.274 121.017 -0.743 25789
2176 1 9 . 1 1 12 12 ARG HA H 12 4.451 4.451 4.526 -0.075 25789
2177 1 9 . 1 1 12 12 ARG C C 12 176.188 176.188 175.684 0.504 25789
2178 1 9 . 1 1 12 12 ARG CA C 12 55.853 55.853 56.901 -1.048 25789
2179 1 9 . 1 1 12 12 ARG CB C 12 29.473 29.473 30.759 -1.286 25789
2180 1 9 . 1 1 12 12 ARG H H 12 8.585 8.585 8.254 0.331 25789
2181 1 9 . 1 1 13 13 GLU N N 13 122.312 122.312 119.019 3.293 25789
2182 1 9 . 1 1 13 13 GLU HA H 13 4.206 4.206 4.355 -0.149 25789
2183 1 9 . 1 1 13 13 GLU C C 13 175.542 175.542 173.594 1.948 25789
2184 1 9 . 1 1 13 13 GLU CA C 13 57.303 57.303 55.628 1.675 25789
2185 1 9 . 1 1 13 13 GLU CB C 13 30.201 30.201 31.933 -1.732 25789
2186 1 9 . 1 1 13 13 GLU H H 13 8.069 8.069 7.964 0.105 25789
2187 1 9 . 1 1 14 14 TRP N N 14 126.929 126.929 126.903 0.026 25789
2188 1 9 . 1 1 14 14 TRP HA H 14 5.125 5.125 5.083 0.042 25789
2189 1 9 . 1 1 14 14 TRP C C 14 174.853 174.853 174.236 0.617 25789
2190 1 9 . 1 1 14 14 TRP CA C 14 56.388 56.388 55.632 0.756 25789
2191 1 9 . 1 1 14 14 TRP CB C 14 29.804 29.804 30.177 -0.373 25789
2192 1 9 . 1 1 14 14 TRP H H 14 8.823 8.823 8.492 0.331 25789
2193 1 9 . 1 1 15 15 TYR N N 15 129.982 129.982 124.842 5.140 25789
2194 1 9 . 1 1 15 15 TYR HA H 15 4.522 4.522 4.768 -0.246 25789
2195 1 9 . 1 1 15 15 TYR CB C 15 38.301 38.301 39.370 -1.069 25789
2196 1 9 . 1 1 15 15 TYR H H 15 8.949 8.949 7.757 1.192 25789
2197 1 9 . 1 1 16 16 PRO HA H 16 4.094 4.094 5.008 -0.914 25789
2198 1 9 . 1 1 16 16 PRO C C 16 177.191 177.191 176.014 1.177 25789
2199 1 9 . 1 1 16 16 PRO CA C 16 62.523 62.523 61.850 0.673 25789
2200 1 9 . 1 1 16 16 PRO CB C 16 32.836 32.836 32.476 0.360 25789
2201 1 9 . 1 1 17 17 VAL N N 17 114.809 114.809 116.532 -1.723 25789
2202 1 9 . 1 1 17 17 VAL HA H 17 4.184 4.184 4.812 -0.628 25789
2203 1 9 . 1 1 17 17 VAL C C 17 172.678 172.678 173.706 -1.028 25789
2204 1 9 . 1 1 17 17 VAL CA C 17 60.249 60.249 58.940 1.309 25789
2205 1 9 . 1 1 17 17 VAL CB C 17 36.086 36.086 34.932 1.154 25789
2206 1 9 . 1 1 17 17 VAL H H 17 8.355 8.355 8.762 -0.407 25789
2207 1 9 . 1 1 18 18 CYS N N 18 123.493 123.493 119.439 4.054 25789
2208 1 9 . 1 1 18 18 CYS HA H 18 5.217 5.217 5.434 -0.217 25789
2209 1 9 . 1 1 18 18 CYS C C 18 175.720 175.720 175.008 0.712 25789
2210 1 9 . 1 1 18 18 CYS CA C 18 53.874 53.874 56.239 -2.365 25789
2211 1 9 . 1 1 18 18 CYS CB C 18 38.042 38.042 29.502 8.540 25789
2212 1 9 . 1 1 18 18 CYS H H 18 8.245 8.245 8.513 -0.268 25789
2213 1 9 . 1 1 19 19 GLY N N 19 116.182 116.182 113.779 2.403 25789
2214 1 9 . 1 1 19 19 GLY C C 19 176.356 176.356 174.818 1.538 25789
2215 1 9 . 1 1 19 19 GLY CA C 19 45.350 45.350 44.675 0.675 25789
2216 1 9 . 1 1 19 19 GLY H H 19 9.676 9.676 9.403 0.273 25789
2217 1 9 . 1 1 20 20 SER N N 20 119.167 119.167 118.135 1.032 25789
2218 1 9 . 1 1 20 20 SER HA H 20 4.147 4.147 4.245 -0.098 25789
2219 1 9 . 1 1 20 20 SER C C 20 173.922 173.922 175.199 -1.277 25789
2220 1 9 . 1 1 20 20 SER CA C 20 61.110 61.110 60.710 0.400 25789
2221 1 9 . 1 1 20 20 SER CB C 20 62.104 62.104 63.160 -1.056 25789
2222 1 9 . 1 1 20 20 SER H H 20 9.783 9.783 8.713 1.070 25789
2223 1 9 . 1 1 21 21 ASP N N 21 120.973 120.973 119.126 1.847 25789
2224 1 9 . 1 1 21 21 ASP HA H 21 4.512 4.512 4.601 -0.089 25789
2225 1 9 . 1 1 21 21 ASP C C 21 177.137 177.137 176.477 0.660 25789
2226 1 9 . 1 1 21 21 ASP CA C 21 53.514 53.514 54.122 -0.608 25789
2227 1 9 . 1 1 21 21 ASP CB C 21 39.784 39.784 41.031 -1.247 25789
2228 1 9 . 1 1 21 21 ASP H H 21 8.823 8.823 8.003 0.820 25789
2229 1 9 . 1 1 22 22 GLY N N 22 109.625 109.625 107.247 2.378 25789
2230 1 9 . 1 1 22 22 GLY C C 22 173.782 173.782 173.689 0.093 25789
2231 1 9 . 1 1 22 22 GLY CA C 22 45.916 45.916 45.105 0.811 25789
2232 1 9 . 1 1 22 22 GLY H H 22 8.448 8.448 8.331 0.117 25789
2233 1 9 . 1 1 23 23 VAL N N 23 124.643 124.643 119.481 5.162 25789
2234 1 9 . 1 1 23 23 VAL HA H 23 3.850 3.850 4.376 -0.526 25789
2235 1 9 . 1 1 23 23 VAL CA C 23 61.747 61.747 59.639 2.108 25789
2236 1 9 . 1 1 23 23 VAL CB C 23 33.045 33.045 34.639 -1.593 25789
2237 1 9 . 1 1 23 23 VAL H H 23 7.755 7.755 7.487 0.268 25789
2238 1 9 . 1 1 24 24 THR N N 24 124.128 124.128 125.589 -1.461 25789
2239 1 9 . 1 1 24 24 THR HA H 24 4.751 4.751 4.528 0.223 25789
2240 1 9 . 1 1 24 24 THR C C 24 174.674 174.674 173.638 1.036 25789
2241 1 9 . 1 1 24 24 THR CA C 24 62.517 62.517 63.359 -0.842 25789
2242 1 9 . 1 1 24 24 THR CB C 24 69.332 69.332 68.868 0.464 25789
2243 1 9 . 1 1 24 24 THR H H 24 8.204 8.204 8.261 -0.057 25789
2244 1 9 . 1 1 25 25 TYR N N 25 130.525 130.525 128.176 2.349 25789
2245 1 9 . 1 1 25 25 TYR HA H 25 4.580 4.580 4.803 -0.223 25789
2246 1 9 . 1 1 25 25 TYR C C 25 176.958 176.958 176.711 0.247 25789
2247 1 9 . 1 1 25 25 TYR CA C 25 58.112 58.112 56.883 1.229 25789
2248 1 9 . 1 1 25 25 TYR CB C 25 40.957 40.957 40.438 0.519 25789
2249 1 9 . 1 1 25 25 TYR H H 25 9.528 9.528 9.103 0.425 25789
2250 1 9 . 1 1 26 26 SER N N 26 118.275 118.275 118.866 -0.591 25789
2251 1 9 . 1 1 26 26 SER HA H 26 3.688 3.688 3.662 0.026 25789
2252 1 9 . 1 1 26 26 SER C C 26 172.371 172.371 172.845 -0.474 25789
2253 1 9 . 1 1 26 26 SER CA C 26 61.334 61.334 60.728 0.605 25789
2254 1 9 . 1 1 26 26 SER CB C 26 63.624 63.624 63.589 0.035 25789
2255 1 9 . 1 1 26 26 SER H H 26 9.300 9.300 9.687 -0.387 25789
2256 1 9 . 1 1 27 27 ASN N N 27 109.467 109.467 110.088 -0.621 25789
2257 1 9 . 1 1 27 27 ASN HA H 27 5.456 5.456 5.426 0.030 25789
2258 1 9 . 1 1 27 27 ASN CA C 27 51.882 51.882 51.793 0.089 25789
2259 1 9 . 1 1 27 27 ASN CB C 27 36.669 36.669 38.572 -1.903 25789
2260 1 9 . 1 1 27 27 ASN H H 27 7.341 7.341 7.422 -0.081 25789
2261 1 9 . 1 1 28 28 PRO HA H 28 4.225 4.225 4.121 0.104 25789
2262 1 9 . 1 1 28 28 PRO C C 28 177.600 177.600 178.286 -0.686 25789
2263 1 9 . 1 1 28 28 PRO CA C 28 65.794 65.794 66.020 -0.226 25789
2264 1 9 . 1 1 28 28 PRO CB C 28 32.317 32.317 31.577 0.740 25789
2265 1 9 . 1 1 29 29 CYS N N 29 120.684 120.684 117.350 3.334 25789
2266 1 9 . 1 1 29 29 CYS HA H 29 4.371 4.371 4.047 0.324 25789
2267 1 9 . 1 1 29 29 CYS C C 29 177.390 177.390 176.685 0.705 25789
2268 1 9 . 1 1 29 29 CYS CA C 29 60.240 60.240 62.645 -2.405 25789
2269 1 9 . 1 1 29 29 CYS CB C 29 36.524 36.524 26.097 10.427 25789
2270 1 9 . 1 1 29 29 CYS H H 29 8.275 8.275 8.567 -0.292 25789
2271 1 9 . 1 1 30 30 ASN N N 30 122.591 122.591 119.351 3.240 25789
2272 1 9 . 1 1 30 30 ASN HA H 30 4.515 4.515 4.576 -0.061 25789
2273 1 9 . 1 1 30 30 ASN C C 30 178.484 178.484 177.426 1.058 25789
2274 1 9 . 1 1 30 30 ASN CA C 30 57.010 57.010 56.428 0.582 25789
2275 1 9 . 1 1 30 30 ASN CB C 30 39.559 39.559 38.810 0.749 25789
2276 1 9 . 1 1 30 30 ASN H H 30 8.653 8.653 8.931 -0.278 25789
2277 1 9 . 1 1 31 31 PHE N N 31 121.793 121.793 120.575 1.218 25789
2278 1 9 . 1 1 31 31 PHE HA H 31 3.222 3.222 2.977 0.245 25789
2279 1 9 . 1 1 31 31 PHE C C 31 175.893 175.893 177.033 -1.140 25789
2280 1 9 . 1 1 31 31 PHE CA C 31 61.887 61.887 60.916 0.971 25789
2281 1 9 . 1 1 31 31 PHE CB C 31 38.828 38.828 38.994 -0.166 25789
2282 1 9 . 1 1 31 31 PHE H H 31 7.848 7.848 8.442 -0.594 25789
2283 1 9 . 1 1 32 32 SER N N 32 116.875 116.875 115.466 1.409 25789
2284 1 9 . 1 1 32 32 SER HA H 32 3.785 3.785 3.994 -0.209 25789
2285 1 9 . 1 1 32 32 SER C C 32 175.874 175.874 176.655 -0.781 25789
2286 1 9 . 1 1 32 32 SER CA C 32 61.991 61.991 61.678 0.313 25789
2287 1 9 . 1 1 32 32 SER CB C 32 62.697 62.697 62.947 -0.250 25789
2288 1 9 . 1 1 32 32 SER H H 32 8.661 8.661 8.706 -0.045 25789
2289 1 9 . 1 1 33 33 ALA N N 33 122.924 122.924 123.479 -0.555 25789
2290 1 9 . 1 1 33 33 ALA HA H 33 3.877 3.877 4.198 -0.321 25789
2291 1 9 . 1 1 33 33 ALA C C 33 178.824 178.824 179.533 -0.709 25789
2292 1 9 . 1 1 33 33 ALA CA C 33 55.115 55.115 55.238 -0.123 25789
2293 1 9 . 1 1 33 33 ALA CB C 33 18.889 18.889 18.093 0.796 25789
2294 1 9 . 1 1 33 33 ALA H H 33 7.977 7.977 8.309 -0.332 25789
2295 1 9 . 1 1 34 34 GLN N N 34 119.261 119.261 118.805 0.456 25789
2296 1 9 . 1 1 34 34 GLN HA H 34 3.595 3.595 4.006 -0.411 25789
2297 1 9 . 1 1 34 34 GLN C C 34 178.745 178.745 178.471 0.274 25789
2298 1 9 . 1 1 34 34 GLN CA C 34 58.880 58.880 58.354 0.526 25789
2299 1 9 . 1 1 34 34 GLN CB C 34 27.349 27.349 28.334 -0.984 25789
2300 1 9 . 1 1 34 34 GLN H H 34 7.177 7.177 7.907 -0.730 25789
2301 1 9 . 1 1 35 35 GLN N N 35 122.346 122.346 117.584 4.762 25789
2302 1 9 . 1 1 35 35 GLN HA H 35 4.008 4.008 3.986 0.022 25789
2303 1 9 . 1 1 35 35 GLN C C 35 176.948 176.948 177.610 -0.662 25789
2304 1 9 . 1 1 35 35 GLN CA C 35 57.174 57.174 57.733 -0.559 25789
2305 1 9 . 1 1 35 35 GLN CB C 35 29.865 29.865 28.468 1.397 25789
2306 1 9 . 1 1 35 35 GLN H H 35 7.716 7.716 7.646 0.070 25789
2307 1 9 . 1 1 36 36 GLU N N 36 114.288 114.288 116.803 -2.515 25789
2308 1 9 . 1 1 36 36 GLU HA H 36 3.891 3.891 4.039 -0.148 25789
2309 1 9 . 1 1 36 36 GLU C C 36 179.191 179.191 178.063 1.128 25789
2310 1 9 . 1 1 36 36 GLU CA C 36 58.444 58.444 58.247 0.197 25789
2311 1 9 . 1 1 36 36 GLU CB C 36 30.860 30.860 29.282 1.577 25789
2312 1 9 . 1 1 36 36 GLU H H 36 8.239 8.239 8.122 0.117 25789
2313 1 9 . 1 1 37 37 GLN N N 37 112.767 112.767 117.190 -4.423 25789
2314 1 9 . 1 1 37 37 GLN HA H 37 4.382 4.382 4.414 -0.032 25789
2315 1 9 . 1 1 37 37 GLN C C 37 177.125 177.125 176.297 0.828 25789
2316 1 9 . 1 1 37 37 GLN CA C 37 56.848 56.848 58.017 -1.169 25789
2317 1 9 . 1 1 37 37 GLN CB C 37 30.442 30.442 30.385 0.057 25789
2318 1 9 . 1 1 37 37 GLN H H 37 7.644 7.644 7.756 -0.112 25789
2319 1 9 . 1 1 38 38 CYS N N 38 115.172 115.172 114.005 1.167 25789
2320 1 9 . 1 1 38 38 CYS HA H 38 5.033 5.033 4.962 0.071 25789
2321 1 9 . 1 1 38 38 CYS C C 38 174.561 174.561 174.187 0.374 25789
2322 1 9 . 1 1 38 38 CYS CA C 38 54.813 54.813 58.449 -3.636 25789
2323 1 9 . 1 1 38 38 CYS CB C 38 41.981 41.981 30.716 11.265 25789
2324 1 9 . 1 1 38 38 CYS H H 38 7.704 7.704 7.901 -0.197 25789
2325 1 9 . 1 1 39 39 ASP N N 39 118.112 118.112 120.670 -2.558 25789
2326 1 9 . 1 1 39 39 ASP HA H 39 5.035 5.035 5.049 -0.014 25789
2327 1 9 . 1 1 39 39 ASP CA C 39 51.652 51.652 51.348 0.304 25789
2328 1 9 . 1 1 39 39 ASP CB C 39 41.995 41.995 42.258 -0.263 25789
2329 1 9 . 1 1 39 39 ASP H H 39 7.824 7.824 7.776 0.048 25789
2330 1 9 . 1 1 40 40 PRO HA H 40 4.682 4.682 4.406 0.276 25789
2331 1 9 . 1 1 40 40 PRO C C 40 177.751 177.751 176.920 0.831 25789
2332 1 9 . 1 1 40 40 PRO CA C 40 63.531 63.531 63.546 -0.015 25789
2333 1 9 . 1 1 40 40 PRO CB C 40 32.479 32.479 32.230 0.249 25789
2334 1 9 . 1 1 41 41 ASN N N 41 114.538 114.538 115.118 -0.580 25789
2335 1 9 . 1 1 41 41 ASN HA H 41 4.710 4.710 4.665 0.045 25789
2336 1 9 . 1 1 41 41 ASN C C 41 175.877 175.877 175.724 0.153 25789
2337 1 9 . 1 1 41 41 ASN CA C 41 53.533 53.533 54.011 -0.478 25789
2338 1 9 . 1 1 41 41 ASN CB C 41 39.317 39.317 39.213 0.104 25789
2339 1 9 . 1 1 41 41 ASN H H 41 8.183 8.183 8.002 0.181 25789
2340 1 9 . 1 1 42 42 ILE N N 42 117.609 117.609 117.019 0.590 25789
2341 1 9 . 1 1 42 42 ILE HA H 42 4.188 4.188 4.315 -0.127 25789
2342 1 9 . 1 1 42 42 ILE C C 42 174.947 174.947 174.863 0.084 25789
2343 1 9 . 1 1 42 42 ILE CA C 42 62.863 62.863 60.888 1.975 25789
2344 1 9 . 1 1 42 42 ILE CB C 42 39.653 39.653 39.188 0.465 25789
2345 1 9 . 1 1 42 42 ILE H H 42 7.260 7.260 7.236 0.024 25789
2346 1 9 . 1 1 43 43 THR N N 43 114.448 114.448 112.566 1.882 25789
2347 1 9 . 1 1 43 43 THR HA H 43 4.814 4.814 4.669 0.145 25789
2348 1 9 . 1 1 43 43 THR C C 43 173.737 173.737 174.053 -0.316 25789
2349 1 9 . 1 1 43 43 THR CA C 43 60.118 60.118 59.509 0.609 25789
2350 1 9 . 1 1 43 43 THR CB C 43 72.559 72.559 70.952 1.607 25789
2351 1 9 . 1 1 43 43 THR H H 43 8.828 8.828 8.058 0.770 25789
2352 1 9 . 1 1 44 44 ILE N N 44 121.256 121.256 120.872 0.384 25789
2353 1 9 . 1 1 44 44 ILE HA H 44 3.475 3.475 4.057 -0.582 25789
2354 1 9 . 1 1 44 44 ILE C C 44 176.400 176.400 176.519 -0.119 25789
2355 1 9 . 1 1 44 44 ILE CA C 44 62.849 62.849 62.019 0.830 25789
2356 1 9 . 1 1 44 44 ILE CB C 44 37.712 37.712 37.022 0.690 25789
2357 1 9 . 1 1 44 44 ILE H H 44 8.487 8.487 8.431 0.056 25789
2358 1 9 . 1 1 45 45 ALA N N 45 140.640 140.640 132.601 8.039 25789
2359 1 9 . 1 1 45 45 ALA HA H 45 4.210 4.210 4.288 -0.078 25789
2360 1 9 . 1 1 45 45 ALA C C 45 178.725 178.725 177.266 1.459 25789
2361 1 9 . 1 1 45 45 ALA CA C 45 54.537 54.537 53.645 0.891 25789
2362 1 9 . 1 1 45 45 ALA CB C 45 19.216 19.216 20.135 -0.919 25789
2363 1 9 . 1 1 45 45 ALA H H 45 9.195 9.195 8.946 0.249 25789
2364 1 9 . 1 1 46 46 HIS N N 46 106.909 106.909 109.953 -3.044 25789
2365 1 9 . 1 1 46 46 HIS HA H 46 4.608 4.608 4.705 -0.097 25789
2366 1 9 . 1 1 46 46 HIS C C 46 173.062 173.062 172.979 0.083 25789
2367 1 9 . 1 1 46 46 HIS CA C 46 54.573 54.573 54.806 -0.233 25789
2368 1 9 . 1 1 46 46 HIS CB C 46 29.351 29.351 30.282 -0.931 25789
2369 1 9 . 1 1 46 46 HIS H H 46 7.240 7.240 7.359 -0.119 25789
2370 1 9 . 1 1 47 47 MET N N 47 119.326 119.326 122.104 -2.778 25789
2371 1 9 . 1 1 47 47 MET HA H 47 4.655 4.655 4.154 0.501 25789
2372 1 9 . 1 1 47 47 MET C C 47 179.036 179.036 176.280 2.756 25789
2373 1 9 . 1 1 47 47 MET CA C 47 54.965 54.965 56.542 -1.577 25789
2374 1 9 . 1 1 47 47 MET CB C 47 31.458 31.458 33.175 -1.717 25789
2375 1 9 . 1 1 47 47 MET H H 47 9.092 9.092 8.668 0.424 25789
2376 1 9 . 1 1 48 48 GLY N N 48 114.963 114.963 112.608 2.355 25789
2377 1 9 . 1 1 48 48 GLY C C 48 170.539 170.539 172.349 -1.810 25789
2378 1 9 . 1 1 48 48 GLY CA C 48 44.288 44.288 44.250 0.038 25789
2379 1 9 . 1 1 48 48 GLY H H 48 8.162 8.162 8.597 -0.435 25789
2380 1 9 . 1 1 49 49 GLU N N 49 113.303 113.303 118.681 -5.378 25789
2381 1 9 . 1 1 49 49 GLU HA H 49 3.971 3.971 4.154 -0.183 25789
2382 1 9 . 1 1 49 49 GLU C C 49 178.243 178.243 175.370 2.873 25789
2383 1 9 . 1 1 49 49 GLU CA C 49 56.770 56.770 55.869 0.901 25789
2384 1 9 . 1 1 49 49 GLU CB C 49 30.475 30.475 30.710 -0.235 25789
2385 1 9 . 1 1 49 49 GLU H H 49 8.225 8.225 8.566 -0.341 25789
2386 1 10 . 1 1 2 2 GLU N N 2 120.587 120.587 120.092 0.495 25789
2387 1 10 . 1 1 2 2 GLU HA H 2 4.778 4.778 4.682 0.096 25789
2388 1 10 . 1 1 2 2 GLU CA C 2 56.919 56.919 56.247 0.672 25789
2389 1 10 . 1 1 2 2 GLU CB C 2 30.334 30.334 30.959 -0.625 25789
2390 1 10 . 1 1 2 2 GLU H H 2 8.777 8.777 8.530 0.247 25789
2391 1 10 . 1 1 3 3 ASP N N 3 121.555 121.555 120.952 0.603 25789
2392 1 10 . 1 1 3 3 ASP HA H 3 4.543 4.543 4.942 -0.399 25789
2393 1 10 . 1 1 3 3 ASP H H 3 8.491 8.491 8.239 0.252 25789
2394 1 10 . 1 1 4 4 CYS N N 4 122.792 122.792 120.328 2.464 25789
2395 1 10 . 1 1 4 4 CYS HA H 4 4.587 4.587 4.736 -0.149 25789
2396 1 10 . 1 1 4 4 CYS C C 4 173.506 173.506 173.745 -0.239 25789
2397 1 10 . 1 1 4 4 CYS CA C 4 57.905 57.905 57.470 0.435 25789
2398 1 10 . 1 1 4 4 CYS CB C 4 38.220 38.220 29.925 8.295 25789
2399 1 10 . 1 1 4 4 CYS H H 4 8.347 8.347 8.389 -0.042 25789
2400 1 10 . 1 1 5 5 VAL N N 5 130.233 130.233 124.173 6.060 25789
2401 1 10 . 1 1 5 5 VAL HA H 5 4.591 4.591 4.283 0.308 25789
2402 1 10 . 1 1 5 5 VAL C C 5 175.872 175.872 176.256 -0.384 25789
2403 1 10 . 1 1 5 5 VAL CA C 5 61.756 61.756 62.086 -0.330 25789
2404 1 10 . 1 1 5 5 VAL CB C 5 34.641 34.641 33.583 1.058 25789
2405 1 10 . 1 1 5 5 VAL H H 5 8.597 8.597 8.498 0.099 25789
2406 1 10 . 1 1 6 6 GLY N N 6 115.595 115.595 115.693 -0.098 25789
2407 1 10 . 1 1 6 6 GLY C C 6 173.454 173.454 173.185 0.269 25789
2408 1 10 . 1 1 6 6 GLY CA C 6 45.527 45.527 44.664 0.863 25789
2409 1 10 . 1 1 6 6 GLY H H 6 8.836 8.836 8.454 0.382 25789
2410 1 10 . 1 1 7 7 ARG N N 7 124.372 124.372 121.905 2.467 25789
2411 1 10 . 1 1 7 7 ARG HA H 7 4.637 4.637 4.656 -0.019 25789
2412 1 10 . 1 1 7 7 ARG C C 7 175.190 175.190 174.683 0.507 25789
2413 1 10 . 1 1 7 7 ARG CA C 7 55.528 55.528 54.900 0.628 25789
2414 1 10 . 1 1 7 7 ARG CB C 7 32.434 32.434 31.651 0.783 25789
2415 1 10 . 1 1 7 7 ARG H H 7 8.760 8.760 8.322 0.438 25789
2416 1 10 . 1 1 8 8 LYS N N 8 126.364 126.364 123.566 2.798 25789
2417 1 10 . 1 1 8 8 LYS HA H 8 4.435 4.435 4.392 0.043 25789
2418 1 10 . 1 1 8 8 LYS C C 8 174.455 174.455 175.724 -1.269 25789
2419 1 10 . 1 1 8 8 LYS CA C 8 55.630 55.630 54.927 0.703 25789
2420 1 10 . 1 1 8 8 LYS CB C 8 36.088 36.088 33.543 2.545 25789
2421 1 10 . 1 1 8 8 LYS H H 8 8.497 8.497 8.691 -0.194 25789
2422 1 10 . 1 1 9 9 ALA N N 9 126.059 126.059 127.315 -1.256 25789
2423 1 10 . 1 1 9 9 ALA HA H 9 4.462 4.462 4.345 0.117 25789
2424 1 10 . 1 1 9 9 ALA C C 9 176.690 176.690 176.741 -0.051 25789
2425 1 10 . 1 1 9 9 ALA CA C 9 52.255 52.255 52.373 -0.118 25789
2426 1 10 . 1 1 9 9 ALA CB C 9 17.072 17.072 19.134 -2.062 25789
2427 1 10 . 1 1 9 9 ALA H H 9 8.339 8.339 8.408 -0.069 25789
2428 1 10 . 1 1 10 10 CYS N N 10 123.013 123.013 122.989 0.024 25789
2429 1 10 . 1 1 10 10 CYS HA H 10 5.070 5.070 4.851 0.219 25789
2430 1 10 . 1 1 10 10 CYS C C 10 175.913 175.913 174.211 1.702 25789
2431 1 10 . 1 1 10 10 CYS CA C 10 52.909 52.909 58.462 -5.553 25789
2432 1 10 . 1 1 10 10 CYS CB C 10 41.080 41.080 29.897 11.183 25789
2433 1 10 . 1 1 10 10 CYS H H 10 8.103 8.103 8.569 -0.466 25789
2434 1 10 . 1 1 11 11 THR N N 11 113.789 113.789 115.672 -1.883 25789
2435 1 10 . 1 1 11 11 THR HA H 11 4.510 4.510 4.705 -0.195 25789
2436 1 10 . 1 1 11 11 THR C C 11 174.887 174.887 175.034 -0.147 25789
2437 1 10 . 1 1 11 11 THR CA C 11 61.918 61.918 61.976 -0.058 25789
2438 1 10 . 1 1 11 11 THR CB C 11 69.543 69.543 69.052 0.492 25789
2439 1 10 . 1 1 11 11 THR H H 11 8.272 8.272 8.395 -0.123 25789
2440 1 10 . 1 1 12 12 ARG N N 12 120.274 120.274 120.325 -0.051 25789
2441 1 10 . 1 1 12 12 ARG HA H 12 4.451 4.451 4.362 0.089 25789
2442 1 10 . 1 1 12 12 ARG C C 12 176.188 176.188 176.377 -0.189 25789
2443 1 10 . 1 1 12 12 ARG CA C 12 55.853 55.853 57.355 -1.502 25789
2444 1 10 . 1 1 12 12 ARG CB C 12 29.473 29.473 31.096 -1.623 25789
2445 1 10 . 1 1 12 12 ARG H H 12 8.585 8.585 8.394 0.191 25789
2446 1 10 . 1 1 13 13 GLU N N 13 122.312 122.312 117.924 4.388 25789
2447 1 10 . 1 1 13 13 GLU HA H 13 4.206 4.206 4.474 -0.268 25789
2448 1 10 . 1 1 13 13 GLU C C 13 175.542 175.542 174.366 1.176 25789
2449 1 10 . 1 1 13 13 GLU CA C 13 57.303 57.303 55.507 1.796 25789
2450 1 10 . 1 1 13 13 GLU CB C 13 30.201 30.201 32.590 -2.389 25789
2451 1 10 . 1 1 13 13 GLU H H 13 8.069 8.069 7.938 0.131 25789
2452 1 10 . 1 1 14 14 TRP N N 14 126.929 126.929 128.119 -1.190 25789
2453 1 10 . 1 1 14 14 TRP HA H 14 5.125 5.125 4.983 0.142 25789
2454 1 10 . 1 1 14 14 TRP C C 14 174.853 174.853 174.409 0.444 25789
2455 1 10 . 1 1 14 14 TRP CA C 14 56.388 56.388 56.026 0.362 25789
2456 1 10 . 1 1 14 14 TRP CB C 14 29.804 29.804 29.658 0.146 25789
2457 1 10 . 1 1 14 14 TRP H H 14 8.823 8.823 8.986 -0.163 25789
2458 1 10 . 1 1 15 15 TYR N N 15 129.982 129.982 125.730 4.252 25789
2459 1 10 . 1 1 15 15 TYR HA H 15 4.522 4.522 4.776 -0.254 25789
2460 1 10 . 1 1 15 15 TYR CB C 15 38.301 38.301 39.913 -1.612 25789
2461 1 10 . 1 1 15 15 TYR H H 15 8.949 8.949 8.055 0.894 25789
2462 1 10 . 1 1 16 16 PRO HA H 16 4.094 4.094 4.614 -0.520 25789
2463 1 10 . 1 1 16 16 PRO C C 16 177.191 177.191 175.812 1.379 25789
2464 1 10 . 1 1 16 16 PRO CA C 16 62.523 62.523 62.089 0.434 25789
2465 1 10 . 1 1 16 16 PRO CB C 16 32.836 32.836 32.385 0.451 25789
2466 1 10 . 1 1 17 17 VAL N N 17 114.809 114.809 115.946 -1.137 25789
2467 1 10 . 1 1 17 17 VAL HA H 17 4.184 4.184 4.675 -0.491 25789
2468 1 10 . 1 1 17 17 VAL C C 17 172.678 172.678 173.949 -1.271 25789
2469 1 10 . 1 1 17 17 VAL CA C 17 60.249 60.249 59.197 1.052 25789
2470 1 10 . 1 1 17 17 VAL CB C 17 36.086 36.086 35.157 0.929 25789
2471 1 10 . 1 1 17 17 VAL H H 17 8.355 8.355 8.624 -0.269 25789
2472 1 10 . 1 1 18 18 CYS N N 18 123.493 123.493 119.434 4.059 25789
2473 1 10 . 1 1 18 18 CYS HA H 18 5.217 5.217 5.423 -0.206 25789
2474 1 10 . 1 1 18 18 CYS C C 18 175.720 175.720 175.042 0.678 25789
2475 1 10 . 1 1 18 18 CYS CA C 18 53.874 53.874 56.363 -2.489 25789
2476 1 10 . 1 1 18 18 CYS CB C 18 38.042 38.042 29.545 8.497 25789
2477 1 10 . 1 1 18 18 CYS H H 18 8.245 8.245 8.400 -0.155 25789
2478 1 10 . 1 1 19 19 GLY N N 19 116.182 116.182 113.212 2.970 25789
2479 1 10 . 1 1 19 19 GLY C C 19 176.356 176.356 174.906 1.450 25789
2480 1 10 . 1 1 19 19 GLY CA C 19 45.350 45.350 44.975 0.375 25789
2481 1 10 . 1 1 19 19 GLY H H 19 9.676 9.676 9.267 0.409 25789
2482 1 10 . 1 1 20 20 SER N N 20 119.167 119.167 117.581 1.586 25789
2483 1 10 . 1 1 20 20 SER HA H 20 4.147 4.147 4.284 -0.137 25789
2484 1 10 . 1 1 20 20 SER C C 20 173.922 173.922 175.210 -1.288 25789
2485 1 10 . 1 1 20 20 SER CA C 20 61.110 61.110 60.581 0.529 25789
2486 1 10 . 1 1 20 20 SER CB C 20 62.104 62.104 63.096 -0.993 25789
2487 1 10 . 1 1 20 20 SER H H 20 9.783 9.783 8.698 1.085 25789
2488 1 10 . 1 1 21 21 ASP N N 21 120.973 120.973 118.875 2.098 25789
2489 1 10 . 1 1 21 21 ASP HA H 21 4.512 4.512 4.641 -0.129 25789
2490 1 10 . 1 1 21 21 ASP C C 21 177.137 177.137 176.466 0.671 25789
2491 1 10 . 1 1 21 21 ASP CA C 21 53.514 53.514 53.903 -0.389 25789
2492 1 10 . 1 1 21 21 ASP CB C 21 39.784 39.784 41.076 -1.292 25789
2493 1 10 . 1 1 21 21 ASP H H 21 8.823 8.823 8.007 0.816 25789
2494 1 10 . 1 1 22 22 GLY N N 22 109.625 109.625 107.893 1.732 25789
2495 1 10 . 1 1 22 22 GLY C C 22 173.782 173.782 173.495 0.287 25789
2496 1 10 . 1 1 22 22 GLY CA C 22 45.916 45.916 44.990 0.926 25789
2497 1 10 . 1 1 22 22 GLY H H 22 8.448 8.448 8.363 0.085 25789
2498 1 10 . 1 1 23 23 VAL N N 23 124.643 124.643 119.613 5.030 25789
2499 1 10 . 1 1 23 23 VAL HA H 23 3.850 3.850 4.385 -0.535 25789
2500 1 10 . 1 1 23 23 VAL CA C 23 61.747 61.747 59.468 2.279 25789
2501 1 10 . 1 1 23 23 VAL CB C 23 33.045 33.045 34.030 -0.985 25789
2502 1 10 . 1 1 23 23 VAL H H 23 7.755 7.755 7.494 0.261 25789
2503 1 10 . 1 1 24 24 THR N N 24 124.128 124.128 124.136 -0.008 25789
2504 1 10 . 1 1 24 24 THR HA H 24 4.751 4.751 4.330 0.421 25789
2505 1 10 . 1 1 24 24 THR C C 24 174.674 174.674 173.389 1.285 25789
2506 1 10 . 1 1 24 24 THR CA C 24 62.517 62.517 62.773 -0.256 25789
2507 1 10 . 1 1 24 24 THR CB C 24 69.332 69.332 69.050 0.282 25789
2508 1 10 . 1 1 24 24 THR H H 24 8.204 8.204 8.233 -0.029 25789
2509 1 10 . 1 1 25 25 TYR N N 25 130.525 130.525 127.626 2.899 25789
2510 1 10 . 1 1 25 25 TYR HA H 25 4.580 4.580 4.622 -0.042 25789
2511 1 10 . 1 1 25 25 TYR C C 25 176.958 176.958 175.894 1.064 25789
2512 1 10 . 1 1 25 25 TYR CA C 25 58.112 58.112 56.729 1.383 25789
2513 1 10 . 1 1 25 25 TYR CB C 25 40.957 40.957 40.710 0.247 25789
2514 1 10 . 1 1 25 25 TYR H H 25 9.528 9.528 8.835 0.693 25789
2515 1 10 . 1 1 26 26 SER N N 26 118.275 118.275 118.929 -0.654 25789
2516 1 10 . 1 1 26 26 SER HA H 26 3.688 3.688 3.631 0.057 25789
2517 1 10 . 1 1 26 26 SER C C 26 172.371 172.371 172.562 -0.191 25789
2518 1 10 . 1 1 26 26 SER CA C 26 61.334 61.334 61.607 -0.273 25789
2519 1 10 . 1 1 26 26 SER CB C 26 63.624 63.624 63.629 -0.005 25789
2520 1 10 . 1 1 26 26 SER H H 26 9.300 9.300 9.311 -0.011 25789
2521 1 10 . 1 1 27 27 ASN N N 27 109.467 109.467 110.562 -1.095 25789
2522 1 10 . 1 1 27 27 ASN HA H 27 5.456 5.456 5.383 0.073 25789
2523 1 10 . 1 1 27 27 ASN CA C 27 51.882 51.882 51.726 0.156 25789
2524 1 10 . 1 1 27 27 ASN CB C 27 36.669 36.669 38.390 -1.721 25789
2525 1 10 . 1 1 27 27 ASN H H 27 7.341 7.341 7.348 -0.007 25789
2526 1 10 . 1 1 28 28 PRO HA H 28 4.225 4.225 4.127 0.098 25789
2527 1 10 . 1 1 28 28 PRO C C 28 177.600 177.600 178.090 -0.490 25789
2528 1 10 . 1 1 28 28 PRO CA C 28 65.794 65.794 66.397 -0.603 25789
2529 1 10 . 1 1 28 28 PRO CB C 28 32.317 32.317 31.641 0.676 25789
2530 1 10 . 1 1 29 29 CYS N N 29 120.684 120.684 112.692 7.992 25789
2531 1 10 . 1 1 29 29 CYS HA H 29 4.371 4.371 4.202 0.169 25789
2532 1 10 . 1 1 29 29 CYS C C 29 177.390 177.390 176.898 0.492 25789
2533 1 10 . 1 1 29 29 CYS CA C 29 60.240 60.240 60.906 -0.666 25789
2534 1 10 . 1 1 29 29 CYS CB C 29 36.524 36.524 26.169 10.355 25789
2535 1 10 . 1 1 29 29 CYS H H 29 8.275 8.275 8.422 -0.147 25789
2536 1 10 . 1 1 30 30 ASN N N 30 122.591 122.591 121.144 1.447 25789
2537 1 10 . 1 1 30 30 ASN HA H 30 4.515 4.515 4.408 0.107 25789
2538 1 10 . 1 1 30 30 ASN C C 30 178.484 178.484 176.981 1.503 25789
2539 1 10 . 1 1 30 30 ASN CA C 30 57.010 57.010 56.349 0.661 25789
2540 1 10 . 1 1 30 30 ASN CB C 30 39.559 39.559 38.864 0.695 25789
2541 1 10 . 1 1 30 30 ASN H H 30 8.653 8.653 8.612 0.041 25789
2542 1 10 . 1 1 31 31 PHE N N 31 121.793 121.793 120.388 1.405 25789
2543 1 10 . 1 1 31 31 PHE HA H 31 3.222 3.222 3.181 0.041 25789
2544 1 10 . 1 1 31 31 PHE C C 31 175.893 175.893 176.762 -0.869 25789
2545 1 10 . 1 1 31 31 PHE CA C 31 61.887 61.887 61.116 0.771 25789
2546 1 10 . 1 1 31 31 PHE CB C 31 38.828 38.828 39.089 -0.261 25789
2547 1 10 . 1 1 31 31 PHE H H 31 7.848 7.848 7.815 0.033 25789
2548 1 10 . 1 1 32 32 SER N N 32 116.875 116.875 116.059 0.816 25789
2549 1 10 . 1 1 32 32 SER HA H 32 3.785 3.785 3.971 -0.186 25789
2550 1 10 . 1 1 32 32 SER C C 32 175.874 175.874 176.569 -0.695 25789
2551 1 10 . 1 1 32 32 SER CA C 32 61.991 61.991 62.260 -0.269 25789
2552 1 10 . 1 1 32 32 SER CB C 32 62.697 62.697 63.037 -0.340 25789
2553 1 10 . 1 1 32 32 SER H H 32 8.661 8.661 8.783 -0.122 25789
2554 1 10 . 1 1 33 33 ALA N N 33 122.924 122.924 123.665 -0.741 25789
2555 1 10 . 1 1 33 33 ALA HA H 33 3.877 3.877 4.394 -0.517 25789
2556 1 10 . 1 1 33 33 ALA C C 33 178.824 178.824 179.379 -0.555 25789
2557 1 10 . 1 1 33 33 ALA CA C 33 55.115 55.115 54.555 0.560 25789
2558 1 10 . 1 1 33 33 ALA CB C 33 18.889 18.889 18.349 0.540 25789
2559 1 10 . 1 1 33 33 ALA H H 33 7.977 7.977 8.199 -0.222 25789
2560 1 10 . 1 1 34 34 GLN N N 34 119.261 119.261 118.678 0.583 25789
2561 1 10 . 1 1 34 34 GLN HA H 34 3.595 3.595 4.031 -0.436 25789
2562 1 10 . 1 1 34 34 GLN C C 34 178.745 178.745 178.513 0.232 25789
2563 1 10 . 1 1 34 34 GLN CA C 34 58.880 58.880 58.319 0.561 25789
2564 1 10 . 1 1 34 34 GLN CB C 34 27.349 27.349 28.466 -1.117 25789
2565 1 10 . 1 1 34 34 GLN H H 34 7.177 7.177 7.858 -0.681 25789
2566 1 10 . 1 1 35 35 GLN N N 35 122.346 122.346 118.282 4.064 25789
2567 1 10 . 1 1 35 35 GLN HA H 35 4.008 4.008 4.018 -0.010 25789
2568 1 10 . 1 1 35 35 GLN C C 35 176.948 176.948 178.098 -1.150 25789
2569 1 10 . 1 1 35 35 GLN CA C 35 57.174 57.174 57.803 -0.629 25789
2570 1 10 . 1 1 35 35 GLN CB C 35 29.865 29.865 28.274 1.591 25789
2571 1 10 . 1 1 35 35 GLN H H 35 7.716 7.716 7.934 -0.218 25789
2572 1 10 . 1 1 36 36 GLU N N 36 114.288 114.288 118.307 -4.019 25789
2573 1 10 . 1 1 36 36 GLU HA H 36 3.891 3.891 4.038 -0.147 25789
2574 1 10 . 1 1 36 36 GLU C C 36 179.191 179.191 178.178 1.013 25789
2575 1 10 . 1 1 36 36 GLU CA C 36 58.444 58.444 58.586 -0.142 25789
2576 1 10 . 1 1 36 36 GLU CB C 36 30.860 30.860 29.312 1.548 25789
2577 1 10 . 1 1 36 36 GLU H H 36 8.239 8.239 8.120 0.119 25789
2578 1 10 . 1 1 37 37 GLN N N 37 112.767 112.767 117.138 -4.371 25789
2579 1 10 . 1 1 37 37 GLN HA H 37 4.382 4.382 4.501 -0.119 25789
2580 1 10 . 1 1 37 37 GLN C C 37 177.125 177.125 176.478 0.647 25789
2581 1 10 . 1 1 37 37 GLN CA C 37 56.848 56.848 57.846 -0.998 25789
2582 1 10 . 1 1 37 37 GLN CB C 37 30.442 30.442 30.861 -0.419 25789
2583 1 10 . 1 1 37 37 GLN H H 37 7.644 7.644 7.679 -0.035 25789
2584 1 10 . 1 1 38 38 CYS N N 38 115.172 115.172 115.366 -0.194 25789
2585 1 10 . 1 1 38 38 CYS HA H 38 5.033 5.033 4.618 0.415 25789
2586 1 10 . 1 1 38 38 CYS C C 38 174.561 174.561 174.571 -0.010 25789
2587 1 10 . 1 1 38 38 CYS CA C 38 54.813 54.813 58.609 -3.796 25789
2588 1 10 . 1 1 38 38 CYS CB C 38 41.981 41.981 29.394 12.587 25789
2589 1 10 . 1 1 38 38 CYS H H 38 7.704 7.704 8.099 -0.395 25789
2590 1 10 . 1 1 39 39 ASP N N 39 118.112 118.112 120.956 -2.844 25789
2591 1 10 . 1 1 39 39 ASP HA H 39 5.035 5.035 5.087 -0.052 25789
2592 1 10 . 1 1 39 39 ASP CA C 39 51.652 51.652 51.214 0.438 25789
2593 1 10 . 1 1 39 39 ASP CB C 39 41.995 41.995 42.378 -0.383 25789
2594 1 10 . 1 1 39 39 ASP H H 39 7.824 7.824 7.907 -0.083 25789
2595 1 10 . 1 1 40 40 PRO HA H 40 4.682 4.682 4.485 0.197 25789
2596 1 10 . 1 1 40 40 PRO C C 40 177.751 177.751 176.695 1.056 25789
2597 1 10 . 1 1 40 40 PRO CA C 40 63.531 63.531 63.393 0.138 25789
2598 1 10 . 1 1 40 40 PRO CB C 40 32.479 32.479 32.173 0.306 25789
2599 1 10 . 1 1 41 41 ASN N N 41 114.538 114.538 115.651 -1.113 25789
2600 1 10 . 1 1 41 41 ASN HA H 41 4.710 4.710 4.812 -0.102 25789
2601 1 10 . 1 1 41 41 ASN C C 41 175.877 175.877 174.993 0.884 25789
2602 1 10 . 1 1 41 41 ASN CA C 41 53.533 53.533 53.157 0.376 25789
2603 1 10 . 1 1 41 41 ASN CB C 41 39.317 39.317 39.365 -0.048 25789
2604 1 10 . 1 1 41 41 ASN H H 41 8.183 8.183 7.975 0.208 25789
2605 1 10 . 1 1 42 42 ILE N N 42 117.609 117.609 116.741 0.868 25789
2606 1 10 . 1 1 42 42 ILE HA H 42 4.188 4.188 4.496 -0.308 25789
2607 1 10 . 1 1 42 42 ILE C C 42 174.947 174.947 174.499 0.448 25789
2608 1 10 . 1 1 42 42 ILE CA C 42 62.863 62.863 59.610 3.253 25789
2609 1 10 . 1 1 42 42 ILE CB C 42 39.653 39.653 40.228 -0.575 25789
2610 1 10 . 1 1 42 42 ILE H H 42 7.260 7.260 7.202 0.058 25789
2611 1 10 . 1 1 43 43 THR N N 43 114.448 114.448 115.330 -0.882 25789
2612 1 10 . 1 1 43 43 THR HA H 43 4.814 4.814 4.850 -0.036 25789
2613 1 10 . 1 1 43 43 THR C C 43 173.737 173.737 173.942 -0.205 25789
2614 1 10 . 1 1 43 43 THR CA C 43 60.118 60.118 60.304 -0.186 25789
2615 1 10 . 1 1 43 43 THR CB C 43 72.559 72.559 71.080 1.479 25789
2616 1 10 . 1 1 43 43 THR H H 43 8.828 8.828 8.243 0.585 25789
2617 1 10 . 1 1 44 44 ILE N N 44 121.256 121.256 121.153 0.103 25789
2618 1 10 . 1 1 44 44 ILE HA H 44 3.475 3.475 3.904 -0.429 25789
2619 1 10 . 1 1 44 44 ILE C C 44 176.400 176.400 176.347 0.053 25789
2620 1 10 . 1 1 44 44 ILE CA C 44 62.849 62.849 62.368 0.481 25789
2621 1 10 . 1 1 44 44 ILE CB C 44 37.712 37.712 36.954 0.758 25789
2622 1 10 . 1 1 44 44 ILE H H 44 8.487 8.487 8.435 0.052 25789
2623 1 10 . 1 1 45 45 ALA N N 45 140.640 140.640 132.651 7.989 25789
2624 1 10 . 1 1 45 45 ALA HA H 45 4.210 4.210 4.321 -0.111 25789
2625 1 10 . 1 1 45 45 ALA C C 45 178.725 178.725 177.195 1.530 25789
2626 1 10 . 1 1 45 45 ALA CA C 45 54.537 54.537 53.517 1.020 25789
2627 1 10 . 1 1 45 45 ALA CB C 45 19.216 19.216 20.252 -1.036 25789
2628 1 10 . 1 1 45 45 ALA H H 45 9.195 9.195 8.957 0.238 25789
2629 1 10 . 1 1 46 46 HIS N N 46 106.909 106.909 110.428 -3.519 25789
2630 1 10 . 1 1 46 46 HIS HA H 46 4.608 4.608 4.749 -0.141 25789
2631 1 10 . 1 1 46 46 HIS C C 46 173.062 173.062 173.084 -0.022 25789
2632 1 10 . 1 1 46 46 HIS CA C 46 54.573 54.573 55.062 -0.489 25789
2633 1 10 . 1 1 46 46 HIS CB C 46 29.351 29.351 30.133 -0.782 25789
2634 1 10 . 1 1 46 46 HIS H H 46 7.240 7.240 7.428 -0.188 25789
2635 1 10 . 1 1 47 47 MET N N 47 119.326 119.326 120.687 -1.361 25789
2636 1 10 . 1 1 47 47 MET HA H 47 4.655 4.655 4.185 0.470 25789
2637 1 10 . 1 1 47 47 MET C C 47 179.036 179.036 177.118 1.918 25789
2638 1 10 . 1 1 47 47 MET CA C 47 54.965 54.965 56.714 -1.749 25789
2639 1 10 . 1 1 47 47 MET CB C 47 31.458 31.458 33.482 -2.024 25789
2640 1 10 . 1 1 47 47 MET H H 47 9.092 9.092 8.674 0.418 25789
2641 1 10 . 1 1 48 48 GLY N N 48 114.963 114.963 109.354 5.609 25789
2642 1 10 . 1 1 48 48 GLY C C 48 170.539 170.539 173.058 -2.519 25789
2643 1 10 . 1 1 48 48 GLY CA C 48 44.288 44.288 44.228 0.060 25789
2644 1 10 . 1 1 48 48 GLY H H 48 8.162 8.162 8.550 -0.388 25789
2645 1 10 . 1 1 49 49 GLU N N 49 113.303 113.303 121.363 -8.060 25789
2646 1 10 . 1 1 49 49 GLU HA H 49 3.971 3.971 4.255 -0.284 25789
2647 1 10 . 1 1 49 49 GLU C C 49 178.243 178.243 176.504 1.739 25789
2648 1 10 . 1 1 49 49 GLU CA C 49 56.770 56.770 55.727 1.043 25789
2649 1 10 . 1 1 49 49 GLU CB C 49 30.475 30.475 30.376 0.099 25789
2650 1 10 . 1 1 49 49 GLU H H 49 8.225 8.225 8.371 -0.146 25789
2651 1 11 . 1 1 2 2 GLU N N 2 120.587 120.587 116.817 3.770 25789
2652 1 11 . 1 1 2 2 GLU HA H 2 4.778 4.778 3.977 0.801 25789
2653 1 11 . 1 1 2 2 GLU CA C 2 56.919 56.919 59.004 -2.085 25789
2654 1 11 . 1 1 2 2 GLU CB C 2 30.334 30.334 28.450 1.884 25789
2655 1 11 . 1 1 2 2 GLU H H 2 8.777 8.777 8.716 0.061 25789
2656 1 11 . 1 1 3 3 ASP N N 3 121.555 121.555 122.588 -1.033 25789
2657 1 11 . 1 1 3 3 ASP HA H 3 4.543 4.543 4.864 -0.321 25789
2658 1 11 . 1 1 3 3 ASP H H 3 8.491 8.491 8.330 0.161 25789
2659 1 11 . 1 1 4 4 CYS N N 4 122.792 122.792 119.622 3.170 25789
2660 1 11 . 1 1 4 4 CYS HA H 4 4.587 4.587 4.728 -0.141 25789
2661 1 11 . 1 1 4 4 CYS C C 4 173.506 173.506 172.956 0.550 25789
2662 1 11 . 1 1 4 4 CYS CA C 4 57.905 57.905 58.113 -0.208 25789
2663 1 11 . 1 1 4 4 CYS CB C 4 38.220 38.220 30.487 7.733 25789
2664 1 11 . 1 1 4 4 CYS H H 4 8.347 8.347 8.443 -0.096 25789
2665 1 11 . 1 1 5 5 VAL N N 5 130.233 130.233 124.373 5.860 25789
2666 1 11 . 1 1 5 5 VAL HA H 5 4.591 4.591 4.319 0.272 25789
2667 1 11 . 1 1 5 5 VAL C C 5 175.872 175.872 175.628 0.244 25789
2668 1 11 . 1 1 5 5 VAL CA C 5 61.756 61.756 61.643 0.113 25789
2669 1 11 . 1 1 5 5 VAL CB C 5 34.641 34.641 33.816 0.826 25789
2670 1 11 . 1 1 5 5 VAL H H 5 8.597 8.597 8.170 0.427 25789
2671 1 11 . 1 1 6 6 GLY N N 6 115.595 115.595 115.953 -0.358 25789
2672 1 11 . 1 1 6 6 GLY C C 6 173.454 173.454 172.504 0.950 25789
2673 1 11 . 1 1 6 6 GLY CA C 6 45.527 45.527 44.893 0.634 25789
2674 1 11 . 1 1 6 6 GLY H H 6 8.836 8.836 8.509 0.327 25789
2675 1 11 . 1 1 7 7 ARG N N 7 124.372 124.372 124.597 -0.225 25789
2676 1 11 . 1 1 7 7 ARG HA H 7 4.637 4.637 4.616 0.021 25789
2677 1 11 . 1 1 7 7 ARG C C 7 175.190 175.190 174.401 0.789 25789
2678 1 11 . 1 1 7 7 ARG CA C 7 55.528 55.528 55.463 0.065 25789
2679 1 11 . 1 1 7 7 ARG CB C 7 32.434 32.434 32.044 0.390 25789
2680 1 11 . 1 1 7 7 ARG H H 7 8.760 8.760 8.356 0.404 25789
2681 1 11 . 1 1 8 8 LYS N N 8 126.364 126.364 126.595 -0.231 25789
2682 1 11 . 1 1 8 8 LYS HA H 8 4.435 4.435 4.413 0.022 25789
2683 1 11 . 1 1 8 8 LYS C C 8 174.455 174.455 175.386 -0.931 25789
2684 1 11 . 1 1 8 8 LYS CA C 8 55.630 55.630 55.310 0.320 25789
2685 1 11 . 1 1 8 8 LYS CB C 8 36.088 36.088 33.944 2.144 25789
2686 1 11 . 1 1 8 8 LYS H H 8 8.497 8.497 8.754 -0.257 25789
2687 1 11 . 1 1 9 9 ALA N N 9 126.059 126.059 126.824 -0.765 25789
2688 1 11 . 1 1 9 9 ALA HA H 9 4.462 4.462 4.329 0.133 25789
2689 1 11 . 1 1 9 9 ALA C C 9 176.690 176.690 176.652 0.038 25789
2690 1 11 . 1 1 9 9 ALA CA C 9 52.255 52.255 52.398 -0.143 25789
2691 1 11 . 1 1 9 9 ALA CB C 9 17.072 17.072 18.896 -1.824 25789
2692 1 11 . 1 1 9 9 ALA H H 9 8.339 8.339 8.338 0.001 25789
2693 1 11 . 1 1 10 10 CYS N N 10 123.013 123.013 123.156 -0.143 25789
2694 1 11 . 1 1 10 10 CYS HA H 10 5.070 5.070 4.822 0.248 25789
2695 1 11 . 1 1 10 10 CYS C C 10 175.913 175.913 173.156 2.757 25789
2696 1 11 . 1 1 10 10 CYS CA C 10 52.909 52.909 58.831 -5.922 25789
2697 1 11 . 1 1 10 10 CYS CB C 10 41.080 41.080 30.030 11.050 25789
2698 1 11 . 1 1 10 10 CYS H H 10 8.103 8.103 8.520 -0.417 25789
2699 1 11 . 1 1 11 11 THR N N 11 113.789 113.789 118.840 -5.051 25789
2700 1 11 . 1 1 11 11 THR HA H 11 4.510 4.510 4.638 -0.128 25789
2701 1 11 . 1 1 11 11 THR C C 11 174.887 174.887 174.042 0.845 25789
2702 1 11 . 1 1 11 11 THR CA C 11 61.918 61.918 62.833 -0.915 25789
2703 1 11 . 1 1 11 11 THR CB C 11 69.543 69.543 68.816 0.727 25789
2704 1 11 . 1 1 11 11 THR H H 11 8.272 8.272 8.367 -0.095 25789
2705 1 11 . 1 1 12 12 ARG N N 12 120.274 120.274 120.582 -0.308 25789
2706 1 11 . 1 1 12 12 ARG HA H 12 4.451 4.451 4.576 -0.125 25789
2707 1 11 . 1 1 12 12 ARG C C 12 176.188 176.188 175.564 0.624 25789
2708 1 11 . 1 1 12 12 ARG CA C 12 55.853 55.853 55.770 0.083 25789
2709 1 11 . 1 1 12 12 ARG CB C 12 29.473 29.473 31.406 -1.933 25789
2710 1 11 . 1 1 12 12 ARG H H 12 8.585 8.585 8.645 -0.060 25789
2711 1 11 . 1 1 13 13 GLU N N 13 122.312 122.312 118.979 3.333 25789
2712 1 11 . 1 1 13 13 GLU HA H 13 4.206 4.206 4.432 -0.226 25789
2713 1 11 . 1 1 13 13 GLU C C 13 175.542 175.542 174.284 1.258 25789
2714 1 11 . 1 1 13 13 GLU CA C 13 57.303 57.303 56.085 1.218 25789
2715 1 11 . 1 1 13 13 GLU CB C 13 30.201 30.201 32.211 -2.010 25789
2716 1 11 . 1 1 13 13 GLU H H 13 8.069 8.069 7.748 0.321 25789
2717 1 11 . 1 1 14 14 TRP N N 14 126.929 126.929 128.138 -1.209 25789
2718 1 11 . 1 1 14 14 TRP HA H 14 5.125 5.125 5.163 -0.038 25789
2719 1 11 . 1 1 14 14 TRP C C 14 174.853 174.853 174.593 0.260 25789
2720 1 11 . 1 1 14 14 TRP CA C 14 56.388 56.388 55.838 0.550 25789
2721 1 11 . 1 1 14 14 TRP CB C 14 29.804 29.804 30.039 -0.235 25789
2722 1 11 . 1 1 14 14 TRP H H 14 8.823 8.823 8.836 -0.013 25789
2723 1 11 . 1 1 15 15 TYR N N 15 129.982 129.982 125.886 4.096 25789
2724 1 11 . 1 1 15 15 TYR HA H 15 4.522 4.522 4.770 -0.248 25789
2725 1 11 . 1 1 15 15 TYR CB C 15 38.301 38.301 39.669 -1.368 25789
2726 1 11 . 1 1 15 15 TYR H H 15 8.949 8.949 7.899 1.050 25789
2727 1 11 . 1 1 16 16 PRO HA H 16 4.094 4.094 4.932 -0.838 25789
2728 1 11 . 1 1 16 16 PRO C C 16 177.191 177.191 176.014 1.177 25789
2729 1 11 . 1 1 16 16 PRO CA C 16 62.523 62.523 61.789 0.734 25789
2730 1 11 . 1 1 16 16 PRO CB C 16 32.836 32.836 32.535 0.301 25789
2731 1 11 . 1 1 17 17 VAL N N 17 114.809 114.809 116.564 -1.755 25789
2732 1 11 . 1 1 17 17 VAL HA H 17 4.184 4.184 4.678 -0.494 25789
2733 1 11 . 1 1 17 17 VAL C C 17 172.678 172.678 173.682 -1.004 25789
2734 1 11 . 1 1 17 17 VAL CA C 17 60.249 60.249 59.049 1.200 25789
2735 1 11 . 1 1 17 17 VAL CB C 17 36.086 36.086 34.763 1.323 25789
2736 1 11 . 1 1 17 17 VAL H H 17 8.355 8.355 8.830 -0.475 25789
2737 1 11 . 1 1 18 18 CYS N N 18 123.493 123.493 119.485 4.008 25789
2738 1 11 . 1 1 18 18 CYS HA H 18 5.217 5.217 5.276 -0.059 25789
2739 1 11 . 1 1 18 18 CYS C C 18 175.720 175.720 174.671 1.049 25789
2740 1 11 . 1 1 18 18 CYS CA C 18 53.874 53.874 56.566 -2.692 25789
2741 1 11 . 1 1 18 18 CYS CB C 18 38.042 38.042 29.301 8.741 25789
2742 1 11 . 1 1 18 18 CYS H H 18 8.245 8.245 8.649 -0.404 25789
2743 1 11 . 1 1 19 19 GLY N N 19 116.182 116.182 114.201 1.981 25789
2744 1 11 . 1 1 19 19 GLY C C 19 176.356 176.356 174.877 1.479 25789
2745 1 11 . 1 1 19 19 GLY CA C 19 45.350 45.350 44.937 0.413 25789
2746 1 11 . 1 1 19 19 GLY H H 19 9.676 9.676 9.600 0.076 25789
2747 1 11 . 1 1 20 20 SER N N 20 119.167 119.167 118.053 1.114 25789
2748 1 11 . 1 1 20 20 SER HA H 20 4.147 4.147 4.259 -0.112 25789
2749 1 11 . 1 1 20 20 SER C C 20 173.922 173.922 175.145 -1.223 25789
2750 1 11 . 1 1 20 20 SER CA C 20 61.110 61.110 60.475 0.635 25789
2751 1 11 . 1 1 20 20 SER CB C 20 62.104 62.104 62.969 -0.865 25789
2752 1 11 . 1 1 20 20 SER H H 20 9.783 9.783 8.807 0.976 25789
2753 1 11 . 1 1 21 21 ASP N N 21 120.973 120.973 119.068 1.905 25789
2754 1 11 . 1 1 21 21 ASP HA H 21 4.512 4.512 4.596 -0.084 25789
2755 1 11 . 1 1 21 21 ASP C C 21 177.137 177.137 176.812 0.325 25789
2756 1 11 . 1 1 21 21 ASP CA C 21 53.514 53.514 54.350 -0.836 25789
2757 1 11 . 1 1 21 21 ASP CB C 21 39.784 39.784 41.264 -1.480 25789
2758 1 11 . 1 1 21 21 ASP H H 21 8.823 8.823 8.090 0.733 25789
2759 1 11 . 1 1 22 22 GLY N N 22 109.625 109.625 108.706 0.919 25789
2760 1 11 . 1 1 22 22 GLY C C 22 173.782 173.782 173.540 0.242 25789
2761 1 11 . 1 1 22 22 GLY CA C 22 45.916 45.916 45.073 0.843 25789
2762 1 11 . 1 1 22 22 GLY H H 22 8.448 8.448 8.500 -0.052 25789
2763 1 11 . 1 1 23 23 VAL N N 23 124.643 124.643 120.028 4.615 25789
2764 1 11 . 1 1 23 23 VAL HA H 23 3.850 3.850 4.324 -0.474 25789
2765 1 11 . 1 1 23 23 VAL CA C 23 61.747 61.747 59.754 1.994 25789
2766 1 11 . 1 1 23 23 VAL CB C 23 33.045 33.045 34.113 -1.068 25789
2767 1 11 . 1 1 23 23 VAL H H 23 7.755 7.755 7.567 0.188 25789
2768 1 11 . 1 1 24 24 THR N N 24 124.128 124.128 123.238 0.890 25789
2769 1 11 . 1 1 24 24 THR HA H 24 4.751 4.751 4.584 0.167 25789
2770 1 11 . 1 1 24 24 THR C C 24 174.674 174.674 173.603 1.071 25789
2771 1 11 . 1 1 24 24 THR CA C 24 62.517 62.517 61.573 0.944 25789
2772 1 11 . 1 1 24 24 THR CB C 24 69.332 69.332 69.218 0.114 25789
2773 1 11 . 1 1 24 24 THR H H 24 8.204 8.204 8.469 -0.265 25789
2774 1 11 . 1 1 25 25 TYR N N 25 130.525 130.525 127.991 2.534 25789
2775 1 11 . 1 1 25 25 TYR HA H 25 4.580 4.580 4.884 -0.304 25789
2776 1 11 . 1 1 25 25 TYR C C 25 176.958 176.958 176.511 0.447 25789
2777 1 11 . 1 1 25 25 TYR CA C 25 58.112 58.112 57.416 0.696 25789
2778 1 11 . 1 1 25 25 TYR CB C 25 40.957 40.957 40.054 0.902 25789
2779 1 11 . 1 1 25 25 TYR H H 25 9.528 9.528 9.098 0.430 25789
2780 1 11 . 1 1 26 26 SER N N 26 118.275 118.275 117.862 0.413 25789
2781 1 11 . 1 1 26 26 SER HA H 26 3.688 3.688 3.571 0.117 25789
2782 1 11 . 1 1 26 26 SER C C 26 172.371 172.371 172.736 -0.365 25789
2783 1 11 . 1 1 26 26 SER CA C 26 61.334 61.334 60.169 1.165 25789
2784 1 11 . 1 1 26 26 SER CB C 26 63.624 63.624 63.312 0.312 25789
2785 1 11 . 1 1 26 26 SER H H 26 9.300 9.300 9.289 0.011 25789
2786 1 11 . 1 1 27 27 ASN N N 27 109.467 109.467 109.635 -0.168 25789
2787 1 11 . 1 1 27 27 ASN HA H 27 5.456 5.456 5.421 0.035 25789
2788 1 11 . 1 1 27 27 ASN CA C 27 51.882 51.882 51.849 0.033 25789
2789 1 11 . 1 1 27 27 ASN CB C 27 36.669 36.669 37.868 -1.199 25789
2790 1 11 . 1 1 27 27 ASN H H 27 7.341 7.341 7.271 0.070 25789
2791 1 11 . 1 1 28 28 PRO HA H 28 4.225 4.225 4.198 0.027 25789
2792 1 11 . 1 1 28 28 PRO C C 28 177.600 177.600 178.329 -0.729 25789
2793 1 11 . 1 1 28 28 PRO CA C 28 65.794 65.794 66.042 -0.248 25789
2794 1 11 . 1 1 28 28 PRO CB C 28 32.317 32.317 31.443 0.874 25789
2795 1 11 . 1 1 29 29 CYS N N 29 120.684 120.684 116.592 4.092 25789
2796 1 11 . 1 1 29 29 CYS HA H 29 4.371 4.371 4.250 0.121 25789
2797 1 11 . 1 1 29 29 CYS C C 29 177.390 177.390 177.289 0.101 25789
2798 1 11 . 1 1 29 29 CYS CA C 29 60.240 60.240 61.175 -0.935 25789
2799 1 11 . 1 1 29 29 CYS CB C 29 36.524 36.524 26.180 10.344 25789
2800 1 11 . 1 1 29 29 CYS H H 29 8.275 8.275 8.362 -0.087 25789
2801 1 11 . 1 1 30 30 ASN N N 30 122.591 122.591 119.489 3.102 25789
2802 1 11 . 1 1 30 30 ASN HA H 30 4.515 4.515 4.486 0.029 25789
2803 1 11 . 1 1 30 30 ASN C C 30 178.484 178.484 177.350 1.134 25789
2804 1 11 . 1 1 30 30 ASN CA C 30 57.010 57.010 56.471 0.539 25789
2805 1 11 . 1 1 30 30 ASN CB C 30 39.559 39.559 38.814 0.745 25789
2806 1 11 . 1 1 30 30 ASN H H 30 8.653 8.653 8.878 -0.225 25789
2807 1 11 . 1 1 31 31 PHE N N 31 121.793 121.793 120.698 1.095 25789
2808 1 11 . 1 1 31 31 PHE HA H 31 3.222 3.222 3.047 0.175 25789
2809 1 11 . 1 1 31 31 PHE C C 31 175.893 175.893 176.778 -0.885 25789
2810 1 11 . 1 1 31 31 PHE CA C 31 61.887 61.887 61.065 0.822 25789
2811 1 11 . 1 1 31 31 PHE CB C 31 38.828 38.828 38.887 -0.059 25789
2812 1 11 . 1 1 31 31 PHE H H 31 7.848 7.848 8.094 -0.246 25789
2813 1 11 . 1 1 32 32 SER N N 32 116.875 116.875 116.190 0.685 25789
2814 1 11 . 1 1 32 32 SER HA H 32 3.785 3.785 3.822 -0.037 25789
2815 1 11 . 1 1 32 32 SER C C 32 175.874 175.874 176.574 -0.700 25789
2816 1 11 . 1 1 32 32 SER CA C 32 61.991 61.991 61.825 0.166 25789
2817 1 11 . 1 1 32 32 SER CB C 32 62.697 62.697 62.806 -0.109 25789
2818 1 11 . 1 1 32 32 SER H H 32 8.661 8.661 8.772 -0.111 25789
2819 1 11 . 1 1 33 33 ALA N N 33 122.924 122.924 123.425 -0.501 25789
2820 1 11 . 1 1 33 33 ALA HA H 33 3.877 3.877 4.164 -0.287 25789
2821 1 11 . 1 1 33 33 ALA C C 33 178.824 178.824 179.554 -0.730 25789
2822 1 11 . 1 1 33 33 ALA CA C 33 55.115 55.115 54.763 0.352 25789
2823 1 11 . 1 1 33 33 ALA CB C 33 18.889 18.889 18.133 0.756 25789
2824 1 11 . 1 1 33 33 ALA H H 33 7.977 7.977 7.937 0.040 25789
2825 1 11 . 1 1 34 34 GLN N N 34 119.261 119.261 118.927 0.334 25789
2826 1 11 . 1 1 34 34 GLN HA H 34 3.595 3.595 3.998 -0.403 25789
2827 1 11 . 1 1 34 34 GLN C C 34 178.745 178.745 178.363 0.382 25789
2828 1 11 . 1 1 34 34 GLN CA C 34 58.880 58.880 58.463 0.417 25789
2829 1 11 . 1 1 34 34 GLN CB C 34 27.349 27.349 28.432 -1.083 25789
2830 1 11 . 1 1 34 34 GLN H H 34 7.177 7.177 7.959 -0.782 25789
2831 1 11 . 1 1 35 35 GLN N N 35 122.346 122.346 117.258 5.088 25789
2832 1 11 . 1 1 35 35 GLN HA H 35 4.008 4.008 3.907 0.101 25789
2833 1 11 . 1 1 35 35 GLN C C 35 176.948 176.948 177.480 -0.532 25789
2834 1 11 . 1 1 35 35 GLN CA C 35 57.174 57.174 57.728 -0.554 25789
2835 1 11 . 1 1 35 35 GLN CB C 35 29.865 29.865 28.351 1.514 25789
2836 1 11 . 1 1 35 35 GLN H H 35 7.716 7.716 7.880 -0.164 25789
2837 1 11 . 1 1 36 36 GLU N N 36 114.288 114.288 116.600 -2.312 25789
2838 1 11 . 1 1 36 36 GLU HA H 36 3.891 3.891 4.062 -0.171 25789
2839 1 11 . 1 1 36 36 GLU C C 36 179.191 179.191 178.119 1.072 25789
2840 1 11 . 1 1 36 36 GLU CA C 36 58.444 58.444 58.049 0.395 25789
2841 1 11 . 1 1 36 36 GLU CB C 36 30.860 30.860 29.295 1.565 25789
2842 1 11 . 1 1 36 36 GLU H H 36 8.239 8.239 7.777 0.462 25789
2843 1 11 . 1 1 37 37 GLN N N 37 112.767 112.767 117.372 -4.605 25789
2844 1 11 . 1 1 37 37 GLN HA H 37 4.382 4.382 4.330 0.052 25789
2845 1 11 . 1 1 37 37 GLN C C 37 177.125 177.125 176.534 0.591 25789
2846 1 11 . 1 1 37 37 GLN CA C 37 56.848 56.848 58.242 -1.394 25789
2847 1 11 . 1 1 37 37 GLN CB C 37 30.442 30.442 30.108 0.334 25789
2848 1 11 . 1 1 37 37 GLN H H 37 7.644 7.644 7.689 -0.045 25789
2849 1 11 . 1 1 38 38 CYS N N 38 115.172 115.172 114.632 0.540 25789
2850 1 11 . 1 1 38 38 CYS HA H 38 5.033 5.033 4.676 0.357 25789
2851 1 11 . 1 1 38 38 CYS C C 38 174.561 174.561 173.915 0.646 25789
2852 1 11 . 1 1 38 38 CYS CA C 38 54.813 54.813 58.934 -4.121 25789
2853 1 11 . 1 1 38 38 CYS CB C 38 41.981 41.981 29.967 12.014 25789
2854 1 11 . 1 1 38 38 CYS H H 38 7.704 7.704 7.958 -0.254 25789
2855 1 11 . 1 1 39 39 ASP N N 39 118.112 118.112 121.010 -2.898 25789
2856 1 11 . 1 1 39 39 ASP HA H 39 5.035 5.035 5.094 -0.059 25789
2857 1 11 . 1 1 39 39 ASP CA C 39 51.652 51.652 51.405 0.247 25789
2858 1 11 . 1 1 39 39 ASP CB C 39 41.995 41.995 42.802 -0.807 25789
2859 1 11 . 1 1 39 39 ASP H H 39 7.824 7.824 8.020 -0.196 25789
2860 1 11 . 1 1 40 40 PRO HA H 40 4.682 4.682 4.333 0.349 25789
2861 1 11 . 1 1 40 40 PRO C C 40 177.751 177.751 176.731 1.020 25789
2862 1 11 . 1 1 40 40 PRO CA C 40 63.531 63.531 63.905 -0.374 25789
2863 1 11 . 1 1 40 40 PRO CB C 40 32.479 32.479 31.975 0.504 25789
2864 1 11 . 1 1 41 41 ASN N N 41 114.538 114.538 114.661 -0.123 25789
2865 1 11 . 1 1 41 41 ASN HA H 41 4.710 4.710 4.632 0.078 25789
2866 1 11 . 1 1 41 41 ASN C C 41 175.877 175.877 175.807 0.070 25789
2867 1 11 . 1 1 41 41 ASN CA C 41 53.533 53.533 53.406 0.127 25789
2868 1 11 . 1 1 41 41 ASN CB C 41 39.317 39.317 39.873 -0.556 25789
2869 1 11 . 1 1 41 41 ASN H H 41 8.183 8.183 7.921 0.262 25789
2870 1 11 . 1 1 42 42 ILE N N 42 117.609 117.609 118.648 -1.039 25789
2871 1 11 . 1 1 42 42 ILE HA H 42 4.188 4.188 4.242 -0.054 25789
2872 1 11 . 1 1 42 42 ILE C C 42 174.947 174.947 174.906 0.041 25789
2873 1 11 . 1 1 42 42 ILE CA C 42 62.863 62.863 61.478 1.385 25789
2874 1 11 . 1 1 42 42 ILE CB C 42 39.653 39.653 38.935 0.718 25789
2875 1 11 . 1 1 42 42 ILE H H 42 7.260 7.260 7.383 -0.123 25789
2876 1 11 . 1 1 43 43 THR N N 43 114.448 114.448 114.188 0.260 25789
2877 1 11 . 1 1 43 43 THR HA H 43 4.814 4.814 4.719 0.095 25789
2878 1 11 . 1 1 43 43 THR C C 43 173.737 173.737 174.159 -0.422 25789
2879 1 11 . 1 1 43 43 THR CA C 43 60.118 60.118 59.552 0.566 25789
2880 1 11 . 1 1 43 43 THR CB C 43 72.559 72.559 71.048 1.511 25789
2881 1 11 . 1 1 43 43 THR H H 43 8.828 8.828 8.018 0.810 25789
2882 1 11 . 1 1 44 44 ILE N N 44 121.256 121.256 120.979 0.277 25789
2883 1 11 . 1 1 44 44 ILE HA H 44 3.475 3.475 3.799 -0.324 25789
2884 1 11 . 1 1 44 44 ILE C C 44 176.400 176.400 176.331 0.069 25789
2885 1 11 . 1 1 44 44 ILE CA C 44 62.849 62.849 62.379 0.470 25789
2886 1 11 . 1 1 44 44 ILE CB C 44 37.712 37.712 37.193 0.519 25789
2887 1 11 . 1 1 44 44 ILE H H 44 8.487 8.487 8.393 0.094 25789
2888 1 11 . 1 1 45 45 ALA N N 45 140.640 140.640 131.903 8.737 25789
2889 1 11 . 1 1 45 45 ALA HA H 45 4.210 4.210 4.269 -0.059 25789
2890 1 11 . 1 1 45 45 ALA C C 45 178.725 178.725 177.341 1.384 25789
2891 1 11 . 1 1 45 45 ALA CA C 45 54.537 54.537 53.656 0.881 25789
2892 1 11 . 1 1 45 45 ALA CB C 45 19.216 19.216 20.100 -0.884 25789
2893 1 11 . 1 1 45 45 ALA H H 45 9.195 9.195 8.969 0.226 25789
2894 1 11 . 1 1 46 46 HIS N N 46 106.909 106.909 110.088 -3.179 25789
2895 1 11 . 1 1 46 46 HIS HA H 46 4.608 4.608 4.725 -0.117 25789
2896 1 11 . 1 1 46 46 HIS C C 46 173.062 173.062 172.962 0.100 25789
2897 1 11 . 1 1 46 46 HIS CA C 46 54.573 54.573 54.831 -0.258 25789
2898 1 11 . 1 1 46 46 HIS CB C 46 29.351 29.351 30.257 -0.906 25789
2899 1 11 . 1 1 46 46 HIS H H 46 7.240 7.240 7.457 -0.217 25789
2900 1 11 . 1 1 47 47 MET N N 47 119.326 119.326 121.967 -2.641 25789
2901 1 11 . 1 1 47 47 MET HA H 47 4.655 4.655 4.138 0.517 25789
2902 1 11 . 1 1 47 47 MET C C 47 179.036 179.036 176.293 2.743 25789
2903 1 11 . 1 1 47 47 MET CA C 47 54.965 54.965 56.572 -1.607 25789
2904 1 11 . 1 1 47 47 MET CB C 47 31.458 31.458 33.226 -1.768 25789
2905 1 11 . 1 1 47 47 MET H H 47 9.092 9.092 8.692 0.400 25789
2906 1 11 . 1 1 48 48 GLY N N 48 114.963 114.963 112.143 2.820 25789
2907 1 11 . 1 1 48 48 GLY C C 48 170.539 170.539 172.235 -1.696 25789
2908 1 11 . 1 1 48 48 GLY CA C 48 44.288 44.288 44.279 0.009 25789
2909 1 11 . 1 1 48 48 GLY H H 48 8.162 8.162 8.536 -0.374 25789
2910 1 11 . 1 1 49 49 GLU N N 49 113.303 113.303 120.672 -7.369 25789
2911 1 11 . 1 1 49 49 GLU HA H 49 3.971 3.971 4.389 -0.418 25789
2912 1 11 . 1 1 49 49 GLU C C 49 178.243 178.243 176.286 1.957 25789
2913 1 11 . 1 1 49 49 GLU CA C 49 56.770 56.770 56.097 0.673 25789
2914 1 11 . 1 1 49 49 GLU CB C 49 30.475 30.475 30.205 0.270 25789
2915 1 11 . 1 1 49 49 GLU H H 49 8.225 8.225 8.575 -0.350 25789
2916 1 12 . 1 1 2 2 GLU N N 2 120.587 120.587 119.618 0.969 25789
2917 1 12 . 1 1 2 2 GLU HA H 2 4.778 4.778 4.002 0.776 25789
2918 1 12 . 1 1 2 2 GLU CA C 2 56.919 56.919 58.759 -1.840 25789
2919 1 12 . 1 1 2 2 GLU CB C 2 30.334 30.334 29.071 1.263 25789
2920 1 12 . 1 1 2 2 GLU H H 2 8.777 8.777 8.538 0.239 25789
2921 1 12 . 1 1 3 3 ASP N N 3 121.555 121.555 122.272 -0.717 25789
2922 1 12 . 1 1 3 3 ASP HA H 3 4.543 4.543 4.916 -0.373 25789
2923 1 12 . 1 1 3 3 ASP H H 3 8.491 8.491 8.043 0.448 25789
2924 1 12 . 1 1 4 4 CYS N N 4 122.792 122.792 119.256 3.536 25789
2925 1 12 . 1 1 4 4 CYS HA H 4 4.587 4.587 4.807 -0.220 25789
2926 1 12 . 1 1 4 4 CYS C C 4 173.506 173.506 172.989 0.517 25789
2927 1 12 . 1 1 4 4 CYS CA C 4 57.905 57.905 57.840 0.065 25789
2928 1 12 . 1 1 4 4 CYS CB C 4 38.220 38.220 29.367 8.852 25789
2929 1 12 . 1 1 4 4 CYS H H 4 8.347 8.347 8.422 -0.075 25789
2930 1 12 . 1 1 5 5 VAL N N 5 130.233 130.233 125.700 4.533 25789
2931 1 12 . 1 1 5 5 VAL HA H 5 4.591 4.591 4.256 0.335 25789
2932 1 12 . 1 1 5 5 VAL C C 5 175.872 175.872 175.665 0.207 25789
2933 1 12 . 1 1 5 5 VAL CA C 5 61.756 61.756 61.557 0.199 25789
2934 1 12 . 1 1 5 5 VAL CB C 5 34.641 34.641 32.973 1.668 25789
2935 1 12 . 1 1 5 5 VAL H H 5 8.597 8.597 8.119 0.478 25789
2936 1 12 . 1 1 6 6 GLY N N 6 115.595 115.595 116.512 -0.917 25789
2937 1 12 . 1 1 6 6 GLY C C 6 173.454 173.454 172.395 1.059 25789
2938 1 12 . 1 1 6 6 GLY CA C 6 45.527 45.527 44.904 0.623 25789
2939 1 12 . 1 1 6 6 GLY H H 6 8.836 8.836 8.602 0.234 25789
2940 1 12 . 1 1 7 7 ARG N N 7 124.372 124.372 124.377 -0.005 25789
2941 1 12 . 1 1 7 7 ARG HA H 7 4.637 4.637 5.047 -0.410 25789
2942 1 12 . 1 1 7 7 ARG C C 7 175.190 175.190 174.917 0.273 25789
2943 1 12 . 1 1 7 7 ARG CA C 7 55.528 55.528 55.321 0.207 25789
2944 1 12 . 1 1 7 7 ARG CB C 7 32.434 32.434 32.833 -0.399 25789
2945 1 12 . 1 1 7 7 ARG H H 7 8.760 8.760 8.303 0.457 25789
2946 1 12 . 1 1 8 8 LYS N N 8 126.364 126.364 126.244 0.120 25789
2947 1 12 . 1 1 8 8 LYS HA H 8 4.435 4.435 4.510 -0.075 25789
2948 1 12 . 1 1 8 8 LYS C C 8 174.455 174.455 175.489 -1.034 25789
2949 1 12 . 1 1 8 8 LYS CA C 8 55.630 55.630 54.370 1.260 25789
2950 1 12 . 1 1 8 8 LYS CB C 8 36.088 36.088 34.361 1.726 25789
2951 1 12 . 1 1 8 8 LYS H H 8 8.497 8.497 8.510 -0.013 25789
2952 1 12 . 1 1 9 9 ALA N N 9 126.059 126.059 125.685 0.374 25789
2953 1 12 . 1 1 9 9 ALA HA H 9 4.462 4.462 4.360 0.102 25789
2954 1 12 . 1 1 9 9 ALA C C 9 176.690 176.690 176.764 -0.074 25789
2955 1 12 . 1 1 9 9 ALA CA C 9 52.255 52.255 52.185 0.070 25789
2956 1 12 . 1 1 9 9 ALA CB C 9 17.072 17.072 18.973 -1.901 25789
2957 1 12 . 1 1 9 9 ALA H H 9 8.339 8.339 8.395 -0.056 25789
2958 1 12 . 1 1 10 10 CYS N N 10 123.013 123.013 124.643 -1.630 25789
2959 1 12 . 1 1 10 10 CYS HA H 10 5.070 5.070 4.716 0.354 25789
2960 1 12 . 1 1 10 10 CYS C C 10 175.913 175.913 173.576 2.337 25789
2961 1 12 . 1 1 10 10 CYS CA C 10 52.909 52.909 58.455 -5.546 25789
2962 1 12 . 1 1 10 10 CYS CB C 10 41.080 41.080 30.124 10.956 25789
2963 1 12 . 1 1 10 10 CYS H H 10 8.103 8.103 8.603 -0.500 25789
2964 1 12 . 1 1 11 11 THR N N 11 113.789 113.789 116.263 -2.474 25789
2965 1 12 . 1 1 11 11 THR HA H 11 4.510 4.510 4.617 -0.107 25789
2966 1 12 . 1 1 11 11 THR C C 11 174.887 174.887 174.325 0.562 25789
2967 1 12 . 1 1 11 11 THR CA C 11 61.918 61.918 62.243 -0.325 25789
2968 1 12 . 1 1 11 11 THR CB C 11 69.543 69.543 68.349 1.194 25789
2969 1 12 . 1 1 11 11 THR H H 11 8.272 8.272 8.409 -0.137 25789
2970 1 12 . 1 1 12 12 ARG N N 12 120.274 120.274 120.988 -0.714 25789
2971 1 12 . 1 1 12 12 ARG HA H 12 4.451 4.451 4.612 -0.162 25789
2972 1 12 . 1 1 12 12 ARG C C 12 176.188 176.188 176.167 0.021 25789
2973 1 12 . 1 1 12 12 ARG CA C 12 55.853 55.853 56.821 -0.968 25789
2974 1 12 . 1 1 12 12 ARG CB C 12 29.473 29.473 31.608 -2.135 25789
2975 1 12 . 1 1 12 12 ARG H H 12 8.585 8.585 8.734 -0.149 25789
2976 1 12 . 1 1 13 13 GLU N N 13 122.312 122.312 118.693 3.619 25789
2977 1 12 . 1 1 13 13 GLU HA H 13 4.206 4.206 4.461 -0.255 25789
2978 1 12 . 1 1 13 13 GLU C C 13 175.542 175.542 174.026 1.516 25789
2979 1 12 . 1 1 13 13 GLU CA C 13 57.303 57.303 55.904 1.399 25789
2980 1 12 . 1 1 13 13 GLU CB C 13 30.201 30.201 31.647 -1.446 25789
2981 1 12 . 1 1 13 13 GLU H H 13 8.069 8.069 7.977 0.092 25789
2982 1 12 . 1 1 14 14 TRP N N 14 126.929 126.929 125.831 1.098 25789
2983 1 12 . 1 1 14 14 TRP HA H 14 5.125 5.125 4.978 0.147 25789
2984 1 12 . 1 1 14 14 TRP C C 14 174.853 174.853 174.111 0.742 25789
2985 1 12 . 1 1 14 14 TRP CA C 14 56.388 56.388 56.063 0.325 25789
2986 1 12 . 1 1 14 14 TRP CB C 14 29.804 29.804 30.084 -0.280 25789
2987 1 12 . 1 1 14 14 TRP H H 14 8.823 8.823 8.678 0.145 25789
2988 1 12 . 1 1 15 15 TYR N N 15 129.982 129.982 124.906 5.076 25789
2989 1 12 . 1 1 15 15 TYR HA H 15 4.522 4.522 4.763 -0.241 25789
2990 1 12 . 1 1 15 15 TYR CB C 15 38.301 38.301 39.662 -1.361 25789
2991 1 12 . 1 1 15 15 TYR H H 15 8.949 8.949 7.895 1.054 25789
2992 1 12 . 1 1 16 16 PRO HA H 16 4.094 4.094 4.688 -0.594 25789
2993 1 12 . 1 1 16 16 PRO C C 16 177.191 177.191 175.958 1.233 25789
2994 1 12 . 1 1 16 16 PRO CA C 16 62.523 62.523 62.081 0.442 25789
2995 1 12 . 1 1 16 16 PRO CB C 16 32.836 32.836 32.162 0.674 25789
2996 1 12 . 1 1 17 17 VAL N N 17 114.809 114.809 116.429 -1.620 25789
2997 1 12 . 1 1 17 17 VAL HA H 17 4.184 4.184 4.845 -0.661 25789
2998 1 12 . 1 1 17 17 VAL C C 17 172.678 172.678 173.902 -1.224 25789
2999 1 12 . 1 1 17 17 VAL CA C 17 60.249 60.249 59.212 1.037 25789
3000 1 12 . 1 1 17 17 VAL CB C 17 36.086 36.086 35.151 0.935 25789
3001 1 12 . 1 1 17 17 VAL H H 17 8.355 8.355 8.686 -0.331 25789
3002 1 12 . 1 1 18 18 CYS N N 18 123.493 123.493 119.400 4.093 25789
3003 1 12 . 1 1 18 18 CYS HA H 18 5.217 5.217 5.418 -0.201 25789
3004 1 12 . 1 1 18 18 CYS C C 18 175.720 175.720 175.050 0.670 25789
3005 1 12 . 1 1 18 18 CYS CA C 18 53.874 53.874 55.902 -2.028 25789
3006 1 12 . 1 1 18 18 CYS CB C 18 38.042 38.042 29.484 8.558 25789
3007 1 12 . 1 1 18 18 CYS H H 18 8.245 8.245 8.294 -0.049 25789
3008 1 12 . 1 1 19 19 GLY N N 19 116.182 116.182 113.202 2.980 25789
3009 1 12 . 1 1 19 19 GLY C C 19 176.356 176.356 174.735 1.621 25789
3010 1 12 . 1 1 19 19 GLY CA C 19 45.350 45.350 44.828 0.522 25789
3011 1 12 . 1 1 19 19 GLY H H 19 9.676 9.676 9.326 0.350 25789
3012 1 12 . 1 1 20 20 SER N N 20 119.167 119.167 117.655 1.512 25789
3013 1 12 . 1 1 20 20 SER HA H 20 4.147 4.147 4.290 -0.143 25789
3014 1 12 . 1 1 20 20 SER C C 20 173.922 173.922 174.807 -0.885 25789
3015 1 12 . 1 1 20 20 SER CA C 20 61.110 61.110 60.529 0.581 25789
3016 1 12 . 1 1 20 20 SER CB C 20 62.104 62.104 63.072 -0.968 25789
3017 1 12 . 1 1 20 20 SER H H 20 9.783 9.783 8.622 1.161 25789
3018 1 12 . 1 1 21 21 ASP N N 21 120.973 120.973 117.122 3.851 25789
3019 1 12 . 1 1 21 21 ASP HA H 21 4.512 4.512 4.641 -0.129 25789
3020 1 12 . 1 1 21 21 ASP C C 21 177.137 177.137 176.725 0.412 25789
3021 1 12 . 1 1 21 21 ASP CA C 21 53.514 53.514 53.799 -0.285 25789
3022 1 12 . 1 1 21 21 ASP CB C 21 39.784 39.784 40.389 -0.605 25789
3023 1 12 . 1 1 21 21 ASP H H 21 8.823 8.823 7.890 0.933 25789
3024 1 12 . 1 1 22 22 GLY N N 22 109.625 109.625 109.321 0.304 25789
3025 1 12 . 1 1 22 22 GLY C C 22 173.782 173.782 173.274 0.508 25789
3026 1 12 . 1 1 22 22 GLY CA C 22 45.916 45.916 45.224 0.692 25789
3027 1 12 . 1 1 22 22 GLY H H 22 8.448 8.448 8.501 -0.053 25789
3028 1 12 . 1 1 23 23 VAL N N 23 124.643 124.643 119.522 5.121 25789
3029 1 12 . 1 1 23 23 VAL HA H 23 3.850 3.850 4.366 -0.516 25789
3030 1 12 . 1 1 23 23 VAL CA C 23 61.747 61.747 59.736 2.011 25789
3031 1 12 . 1 1 23 23 VAL CB C 23 33.045 33.045 34.429 -1.384 25789
3032 1 12 . 1 1 23 23 VAL H H 23 7.755 7.755 7.482 0.273 25789
3033 1 12 . 1 1 24 24 THR N N 24 124.128 124.128 124.006 0.122 25789
3034 1 12 . 1 1 24 24 THR HA H 24 4.751 4.751 4.432 0.319 25789
3035 1 12 . 1 1 24 24 THR C C 24 174.674 174.674 173.560 1.114 25789
3036 1 12 . 1 1 24 24 THR CA C 24 62.517 62.517 63.187 -0.670 25789
3037 1 12 . 1 1 24 24 THR CB C 24 69.332 69.332 68.754 0.578 25789
3038 1 12 . 1 1 24 24 THR H H 24 8.204 8.204 8.277 -0.073 25789
3039 1 12 . 1 1 25 25 TYR N N 25 130.525 130.525 127.572 2.953 25789
3040 1 12 . 1 1 25 25 TYR HA H 25 4.580 4.580 4.887 -0.307 25789
3041 1 12 . 1 1 25 25 TYR C C 25 176.958 176.958 176.512 0.446 25789
3042 1 12 . 1 1 25 25 TYR CA C 25 58.112 58.112 56.496 1.616 25789
3043 1 12 . 1 1 25 25 TYR CB C 25 40.957 40.957 40.456 0.501 25789
3044 1 12 . 1 1 25 25 TYR H H 25 9.528 9.528 8.902 0.626 25789
3045 1 12 . 1 1 26 26 SER N N 26 118.275 118.275 119.557 -1.282 25789
3046 1 12 . 1 1 26 26 SER HA H 26 3.688 3.688 3.712 -0.024 25789
3047 1 12 . 1 1 26 26 SER C C 26 172.371 172.371 172.903 -0.532 25789
3048 1 12 . 1 1 26 26 SER CA C 26 61.334 61.334 61.644 -0.310 25789
3049 1 12 . 1 1 26 26 SER CB C 26 63.624 63.624 63.749 -0.125 25789
3050 1 12 . 1 1 26 26 SER H H 26 9.300 9.300 9.522 -0.222 25789
3051 1 12 . 1 1 27 27 ASN N N 27 109.467 109.467 112.252 -2.785 25789
3052 1 12 . 1 1 27 27 ASN HA H 27 5.456 5.456 5.502 -0.046 25789
3053 1 12 . 1 1 27 27 ASN CA C 27 51.882 51.882 51.758 0.124 25789
3054 1 12 . 1 1 27 27 ASN CB C 27 36.669 36.669 37.898 -1.229 25789
3055 1 12 . 1 1 27 27 ASN H H 27 7.341 7.341 7.256 0.085 25789
3056 1 12 . 1 1 28 28 PRO HA H 28 4.225 4.225 4.129 0.096 25789
3057 1 12 . 1 1 28 28 PRO C C 28 177.600 177.600 178.152 -0.552 25789
3058 1 12 . 1 1 28 28 PRO CA C 28 65.794 65.794 65.948 -0.155 25789
3059 1 12 . 1 1 28 28 PRO CB C 28 32.317 32.317 31.607 0.710 25789
3060 1 12 . 1 1 29 29 CYS N N 29 120.684 120.684 116.595 4.089 25789
3061 1 12 . 1 1 29 29 CYS HA H 29 4.371 4.371 4.222 0.149 25789
3062 1 12 . 1 1 29 29 CYS C C 29 177.390 177.390 177.311 0.079 25789
3063 1 12 . 1 1 29 29 CYS CA C 29 60.240 60.240 61.419 -1.179 25789
3064 1 12 . 1 1 29 29 CYS CB C 29 36.524 36.524 26.049 10.475 25789
3065 1 12 . 1 1 29 29 CYS H H 29 8.275 8.275 8.439 -0.164 25789
3066 1 12 . 1 1 30 30 ASN N N 30 122.591 122.591 119.719 2.872 25789
3067 1 12 . 1 1 30 30 ASN HA H 30 4.515 4.515 4.400 0.115 25789
3068 1 12 . 1 1 30 30 ASN C C 30 178.484 178.484 177.256 1.228 25789
3069 1 12 . 1 1 30 30 ASN CA C 30 57.010 57.010 56.531 0.479 25789
3070 1 12 . 1 1 30 30 ASN CB C 30 39.559 39.559 38.694 0.865 25789
3071 1 12 . 1 1 30 30 ASN H H 30 8.653 8.653 9.122 -0.469 25789
3072 1 12 . 1 1 31 31 PHE N N 31 121.793 121.793 120.641 1.152 25789
3073 1 12 . 1 1 31 31 PHE HA H 31 3.222 3.222 3.123 0.099 25789
3074 1 12 . 1 1 31 31 PHE C C 31 175.893 175.893 176.777 -0.884 25789
3075 1 12 . 1 1 31 31 PHE CA C 31 61.887 61.887 60.958 0.929 25789
3076 1 12 . 1 1 31 31 PHE CB C 31 38.828 38.828 38.977 -0.149 25789
3077 1 12 . 1 1 31 31 PHE H H 31 7.848 7.848 7.810 0.038 25789
3078 1 12 . 1 1 32 32 SER N N 32 116.875 116.875 116.043 0.832 25789
3079 1 12 . 1 1 32 32 SER HA H 32 3.785 3.785 3.875 -0.090 25789
3080 1 12 . 1 1 32 32 SER C C 32 175.874 175.874 176.418 -0.544 25789
3081 1 12 . 1 1 32 32 SER CA C 32 61.991 61.991 61.568 0.423 25789
3082 1 12 . 1 1 32 32 SER CB C 32 62.697 62.697 63.007 -0.310 25789
3083 1 12 . 1 1 32 32 SER H H 32 8.661 8.661 8.829 -0.168 25789
3084 1 12 . 1 1 33 33 ALA N N 33 122.924 122.924 124.863 -1.939 25789
3085 1 12 . 1 1 33 33 ALA HA H 33 3.877 3.877 4.359 -0.482 25789
3086 1 12 . 1 1 33 33 ALA C C 33 178.824 178.824 179.369 -0.545 25789
3087 1 12 . 1 1 33 33 ALA CA C 33 55.115 55.115 54.568 0.547 25789
3088 1 12 . 1 1 33 33 ALA CB C 33 18.889 18.889 18.333 0.556 25789
3089 1 12 . 1 1 33 33 ALA H H 33 7.977 7.977 8.395 -0.418 25789
3090 1 12 . 1 1 34 34 GLN N N 34 119.261 119.261 118.558 0.703 25789
3091 1 12 . 1 1 34 34 GLN HA H 34 3.595 3.595 3.953 -0.358 25789
3092 1 12 . 1 1 34 34 GLN C C 34 178.745 178.745 178.409 0.336 25789
3093 1 12 . 1 1 34 34 GLN CA C 34 58.880 58.880 58.562 0.319 25789
3094 1 12 . 1 1 34 34 GLN CB C 34 27.349 27.349 28.688 -1.339 25789
3095 1 12 . 1 1 34 34 GLN H H 34 7.177 7.177 7.856 -0.679 25789
3096 1 12 . 1 1 35 35 GLN N N 35 122.346 122.346 117.672 4.674 25789
3097 1 12 . 1 1 35 35 GLN HA H 35 4.008 4.008 4.047 -0.039 25789
3098 1 12 . 1 1 35 35 GLN C C 35 176.948 176.948 177.633 -0.685 25789
3099 1 12 . 1 1 35 35 GLN CA C 35 57.174 57.174 57.659 -0.485 25789
3100 1 12 . 1 1 35 35 GLN CB C 35 29.865 29.865 28.273 1.592 25789
3101 1 12 . 1 1 35 35 GLN H H 35 7.716 7.716 7.818 -0.102 25789
3102 1 12 . 1 1 36 36 GLU N N 36 114.288 114.288 116.840 -2.552 25789
3103 1 12 . 1 1 36 36 GLU HA H 36 3.891 3.891 4.051 -0.160 25789
3104 1 12 . 1 1 36 36 GLU C C 36 179.191 179.191 178.045 1.146 25789
3105 1 12 . 1 1 36 36 GLU CA C 36 58.444 58.444 58.073 0.371 25789
3106 1 12 . 1 1 36 36 GLU CB C 36 30.860 30.860 29.262 1.598 25789
3107 1 12 . 1 1 36 36 GLU H H 36 8.239 8.239 8.122 0.117 25789
3108 1 12 . 1 1 37 37 GLN N N 37 112.767 112.767 117.553 -4.786 25789
3109 1 12 . 1 1 37 37 GLN HA H 37 4.382 4.382 4.328 0.054 25789
3110 1 12 . 1 1 37 37 GLN C C 37 177.125 177.125 177.013 0.112 25789
3111 1 12 . 1 1 37 37 GLN CA C 37 56.848 56.848 58.023 -1.175 25789
3112 1 12 . 1 1 37 37 GLN CB C 37 30.442 30.442 29.944 0.498 25789
3113 1 12 . 1 1 37 37 GLN H H 37 7.644 7.644 7.846 -0.202 25789
3114 1 12 . 1 1 38 38 CYS N N 38 115.172 115.172 114.151 1.021 25789
3115 1 12 . 1 1 38 38 CYS HA H 38 5.033 5.033 4.915 0.118 25789
3116 1 12 . 1 1 38 38 CYS C C 38 174.561 174.561 174.099 0.462 25789
3117 1 12 . 1 1 38 38 CYS CA C 38 54.813 54.813 58.729 -3.916 25789
3118 1 12 . 1 1 38 38 CYS CB C 38 41.981 41.981 30.456 11.524 25789
3119 1 12 . 1 1 38 38 CYS H H 38 7.704 7.704 7.821 -0.117 25789
3120 1 12 . 1 1 39 39 ASP N N 39 118.112 118.112 121.525 -3.413 25789
3121 1 12 . 1 1 39 39 ASP HA H 39 5.035 5.035 5.107 -0.072 25789
3122 1 12 . 1 1 39 39 ASP CA C 39 51.652 51.652 51.325 0.327 25789
3123 1 12 . 1 1 39 39 ASP CB C 39 41.995 41.995 42.170 -0.176 25789
3124 1 12 . 1 1 39 39 ASP H H 39 7.824 7.824 7.725 0.099 25789
3125 1 12 . 1 1 40 40 PRO HA H 40 4.682 4.682 4.401 0.281 25789
3126 1 12 . 1 1 40 40 PRO C C 40 177.751 177.751 176.838 0.913 25789
3127 1 12 . 1 1 40 40 PRO CA C 40 63.531 63.531 63.712 -0.181 25789
3128 1 12 . 1 1 40 40 PRO CB C 40 32.479 32.479 32.180 0.299 25789
3129 1 12 . 1 1 41 41 ASN N N 41 114.538 114.538 115.750 -1.212 25789
3130 1 12 . 1 1 41 41 ASN HA H 41 4.710 4.710 4.701 0.009 25789
3131 1 12 . 1 1 41 41 ASN C C 41 175.877 175.877 175.892 -0.015 25789
3132 1 12 . 1 1 41 41 ASN CA C 41 53.533 53.533 54.014 -0.481 25789
3133 1 12 . 1 1 41 41 ASN CB C 41 39.317 39.317 39.532 -0.215 25789
3134 1 12 . 1 1 41 41 ASN H H 41 8.183 8.183 8.041 0.142 25789
3135 1 12 . 1 1 42 42 ILE N N 42 117.609 117.609 117.888 -0.279 25789
3136 1 12 . 1 1 42 42 ILE HA H 42 4.188 4.188 4.349 -0.161 25789
3137 1 12 . 1 1 42 42 ILE C C 42 174.947 174.947 174.967 -0.020 25789
3138 1 12 . 1 1 42 42 ILE CA C 42 62.863 62.863 60.297 2.566 25789
3139 1 12 . 1 1 42 42 ILE CB C 42 39.653 39.653 39.026 0.627 25789
3140 1 12 . 1 1 42 42 ILE H H 42 7.260 7.260 7.852 -0.592 25789
3141 1 12 . 1 1 43 43 THR N N 43 114.448 114.448 112.811 1.637 25789
3142 1 12 . 1 1 43 43 THR HA H 43 4.814 4.814 4.875 -0.061 25789
3143 1 12 . 1 1 43 43 THR C C 43 173.737 173.737 173.902 -0.165 25789
3144 1 12 . 1 1 43 43 THR CA C 43 60.118 60.118 59.688 0.430 25789
3145 1 12 . 1 1 43 43 THR CB C 43 72.559 72.559 71.231 1.328 25789
3146 1 12 . 1 1 43 43 THR H H 43 8.828 8.828 8.145 0.683 25789
3147 1 12 . 1 1 44 44 ILE N N 44 121.256 121.256 121.162 0.094 25789
3148 1 12 . 1 1 44 44 ILE HA H 44 3.475 3.475 3.794 -0.319 25789
3149 1 12 . 1 1 44 44 ILE C C 44 176.400 176.400 176.293 0.107 25789
3150 1 12 . 1 1 44 44 ILE CA C 44 62.849 62.849 62.150 0.699 25789
3151 1 12 . 1 1 44 44 ILE CB C 44 37.712 37.712 37.382 0.330 25789
3152 1 12 . 1 1 44 44 ILE H H 44 8.487 8.487 8.310 0.177 25789
3153 1 12 . 1 1 45 45 ALA N N 45 140.640 140.640 132.058 8.582 25789
3154 1 12 . 1 1 45 45 ALA HA H 45 4.210 4.210 4.294 -0.084 25789
3155 1 12 . 1 1 45 45 ALA C C 45 178.725 178.725 177.320 1.405 25789
3156 1 12 . 1 1 45 45 ALA CA C 45 54.537 54.537 53.483 1.054 25789
3157 1 12 . 1 1 45 45 ALA CB C 45 19.216 19.216 20.194 -0.978 25789
3158 1 12 . 1 1 45 45 ALA H H 45 9.195 9.195 8.900 0.295 25789
3159 1 12 . 1 1 46 46 HIS N N 46 106.909 106.909 110.711 -3.802 25789
3160 1 12 . 1 1 46 46 HIS HA H 46 4.608 4.608 4.750 -0.142 25789
3161 1 12 . 1 1 46 46 HIS C C 46 173.062 173.062 173.091 -0.029 25789
3162 1 12 . 1 1 46 46 HIS CA C 46 54.573 54.573 54.911 -0.338 25789
3163 1 12 . 1 1 46 46 HIS CB C 46 29.351 29.351 30.467 -1.116 25789
3164 1 12 . 1 1 46 46 HIS H H 46 7.240 7.240 7.384 -0.144 25789
3165 1 12 . 1 1 47 47 MET N N 47 119.326 119.326 119.858 -0.532 25789
3166 1 12 . 1 1 47 47 MET HA H 47 4.655 4.655 4.244 0.411 25789
3167 1 12 . 1 1 47 47 MET C C 47 179.036 179.036 177.340 1.696 25789
3168 1 12 . 1 1 47 47 MET CA C 47 54.965 54.965 55.826 -0.861 25789
3169 1 12 . 1 1 47 47 MET CB C 47 31.458 31.458 33.568 -2.110 25789
3170 1 12 . 1 1 47 47 MET H H 47 9.092 9.092 8.441 0.651 25789
3171 1 12 . 1 1 48 48 GLY N N 48 114.963 114.963 108.651 6.312 25789
3172 1 12 . 1 1 48 48 GLY C C 48 170.539 170.539 173.229 -2.690 25789
3173 1 12 . 1 1 48 48 GLY CA C 48 44.288 44.288 44.300 -0.012 25789
3174 1 12 . 1 1 48 48 GLY H H 48 8.162 8.162 8.741 -0.579 25789
3175 1 12 . 1 1 49 49 GLU N N 49 113.303 113.303 120.048 -6.745 25789
3176 1 12 . 1 1 49 49 GLU HA H 49 3.971 3.971 4.165 -0.194 25789
3177 1 12 . 1 1 49 49 GLU C C 49 178.243 178.243 175.819 2.424 25789
3178 1 12 . 1 1 49 49 GLU CA C 49 56.770 56.770 56.166 0.605 25789
3179 1 12 . 1 1 49 49 GLU CB C 49 30.475 30.475 29.853 0.622 25789
3180 1 12 . 1 1 49 49 GLU H H 49 8.225 8.225 8.497 -0.272 25789
3181 1 13 . 1 1 2 2 GLU N N 2 120.587 120.587 120.093 0.494 25789
3182 1 13 . 1 1 2 2 GLU HA H 2 4.778 4.778 4.619 0.159 25789
3183 1 13 . 1 1 2 2 GLU CA C 2 56.919 56.919 56.898 0.021 25789
3184 1 13 . 1 1 2 2 GLU CB C 2 30.334 30.334 31.524 -1.190 25789
3185 1 13 . 1 1 2 2 GLU H H 2 8.777 8.777 8.498 0.279 25789
3186 1 13 . 1 1 3 3 ASP N N 3 121.555 121.555 119.633 1.922 25789
3187 1 13 . 1 1 3 3 ASP HA H 3 4.543 4.543 4.845 -0.302 25789
3188 1 13 . 1 1 3 3 ASP H H 3 8.491 8.491 8.203 0.288 25789
3189 1 13 . 1 1 4 4 CYS N N 4 122.792 122.792 119.432 3.360 25789
3190 1 13 . 1 1 4 4 CYS HA H 4 4.587 4.587 4.739 -0.152 25789
3191 1 13 . 1 1 4 4 CYS C C 4 173.506 173.506 173.389 0.117 25789
3192 1 13 . 1 1 4 4 CYS CA C 4 57.905 57.905 57.909 -0.004 25789
3193 1 13 . 1 1 4 4 CYS CB C 4 38.220 38.220 29.576 8.644 25789
3194 1 13 . 1 1 4 4 CYS H H 4 8.347 8.347 8.421 -0.074 25789
3195 1 13 . 1 1 5 5 VAL N N 5 130.233 130.233 124.653 5.580 25789
3196 1 13 . 1 1 5 5 VAL HA H 5 4.591 4.591 4.329 0.262 25789
3197 1 13 . 1 1 5 5 VAL C C 5 175.872 175.872 175.652 0.220 25789
3198 1 13 . 1 1 5 5 VAL CA C 5 61.756 61.756 61.773 -0.016 25789
3199 1 13 . 1 1 5 5 VAL CB C 5 34.641 34.641 33.471 1.170 25789
3200 1 13 . 1 1 5 5 VAL H H 5 8.597 8.597 8.209 0.388 25789
3201 1 13 . 1 1 6 6 GLY N N 6 115.595 115.595 116.093 -0.498 25789
3202 1 13 . 1 1 6 6 GLY C C 6 173.454 173.454 173.053 0.401 25789
3203 1 13 . 1 1 6 6 GLY CA C 6 45.527 45.527 44.853 0.673 25789
3204 1 13 . 1 1 6 6 GLY H H 6 8.836 8.836 8.517 0.319 25789
3205 1 13 . 1 1 7 7 ARG N N 7 124.372 124.372 123.553 0.819 25789
3206 1 13 . 1 1 7 7 ARG HA H 7 4.637 4.637 4.601 0.036 25789
3207 1 13 . 1 1 7 7 ARG C C 7 175.190 175.190 174.519 0.671 25789
3208 1 13 . 1 1 7 7 ARG CA C 7 55.528 55.528 55.455 0.073 25789
3209 1 13 . 1 1 7 7 ARG CB C 7 32.434 32.434 32.224 0.210 25789
3210 1 13 . 1 1 7 7 ARG H H 7 8.760 8.760 8.400 0.360 25789
3211 1 13 . 1 1 8 8 LYS N N 8 126.364 126.364 124.493 1.871 25789
3212 1 13 . 1 1 8 8 LYS HA H 8 4.435 4.435 4.395 0.040 25789
3213 1 13 . 1 1 8 8 LYS C C 8 174.455 174.455 175.662 -1.207 25789
3214 1 13 . 1 1 8 8 LYS CA C 8 55.630 55.630 54.463 1.167 25789
3215 1 13 . 1 1 8 8 LYS CB C 8 36.088 36.088 33.500 2.588 25789
3216 1 13 . 1 1 8 8 LYS H H 8 8.497 8.497 8.724 -0.227 25789
3217 1 13 . 1 1 9 9 ALA N N 9 126.059 126.059 127.113 -1.054 25789
3218 1 13 . 1 1 9 9 ALA HA H 9 4.462 4.462 4.285 0.177 25789
3219 1 13 . 1 1 9 9 ALA C C 9 176.690 176.690 176.550 0.140 25789
3220 1 13 . 1 1 9 9 ALA CA C 9 52.255 52.255 52.309 -0.054 25789
3221 1 13 . 1 1 9 9 ALA CB C 9 17.072 17.072 18.784 -1.712 25789
3222 1 13 . 1 1 9 9 ALA H H 9 8.339 8.339 8.398 -0.059 25789
3223 1 13 . 1 1 10 10 CYS N N 10 123.013 123.013 123.986 -0.973 25789
3224 1 13 . 1 1 10 10 CYS HA H 10 5.070 5.070 4.800 0.270 25789
3225 1 13 . 1 1 10 10 CYS C C 10 175.913 175.913 173.377 2.536 25789
3226 1 13 . 1 1 10 10 CYS CA C 10 52.909 52.909 58.445 -5.536 25789
3227 1 13 . 1 1 10 10 CYS CB C 10 41.080 41.080 30.049 11.031 25789
3228 1 13 . 1 1 10 10 CYS H H 10 8.103 8.103 8.592 -0.489 25789
3229 1 13 . 1 1 11 11 THR N N 11 113.789 113.789 119.434 -5.645 25789
3230 1 13 . 1 1 11 11 THR HA H 11 4.510 4.510 4.627 -0.117 25789
3231 1 13 . 1 1 11 11 THR C C 11 174.887 174.887 174.376 0.511 25789
3232 1 13 . 1 1 11 11 THR CA C 11 61.918 61.918 62.246 -0.328 25789
3233 1 13 . 1 1 11 11 THR CB C 11 69.543 69.543 69.022 0.521 25789
3234 1 13 . 1 1 11 11 THR H H 11 8.272 8.272 8.366 -0.094 25789
3235 1 13 . 1 1 12 12 ARG N N 12 120.274 120.274 120.413 -0.139 25789
3236 1 13 . 1 1 12 12 ARG HA H 12 4.451 4.451 4.434 0.017 25789
3237 1 13 . 1 1 12 12 ARG C C 12 176.188 176.188 176.080 0.108 25789
3238 1 13 . 1 1 12 12 ARG CA C 12 55.853 55.853 56.945 -1.092 25789
3239 1 13 . 1 1 12 12 ARG CB C 12 29.473 29.473 31.382 -1.909 25789
3240 1 13 . 1 1 12 12 ARG H H 12 8.585 8.585 8.683 -0.098 25789
3241 1 13 . 1 1 13 13 GLU N N 13 122.312 122.312 117.769 4.543 25789
3242 1 13 . 1 1 13 13 GLU HA H 13 4.206 4.206 4.481 -0.276 25789
3243 1 13 . 1 1 13 13 GLU C C 13 175.542 175.542 174.332 1.210 25789
3244 1 13 . 1 1 13 13 GLU CA C 13 57.303 57.303 55.565 1.738 25789
3245 1 13 . 1 1 13 13 GLU CB C 13 30.201 30.201 32.553 -2.353 25789
3246 1 13 . 1 1 13 13 GLU H H 13 8.069 8.069 7.883 0.186 25789
3247 1 13 . 1 1 14 14 TRP N N 14 126.929 126.929 127.259 -0.330 25789
3248 1 13 . 1 1 14 14 TRP HA H 14 5.125 5.125 5.138 -0.013 25789
3249 1 13 . 1 1 14 14 TRP C C 14 174.853 174.853 174.608 0.245 25789
3250 1 13 . 1 1 14 14 TRP CA C 14 56.388 56.388 55.834 0.554 25789
3251 1 13 . 1 1 14 14 TRP CB C 14 29.804 29.804 29.570 0.234 25789
3252 1 13 . 1 1 14 14 TRP H H 14 8.823 8.823 8.963 -0.140 25789
3253 1 13 . 1 1 15 15 TYR N N 15 129.982 129.982 125.988 3.994 25789
3254 1 13 . 1 1 15 15 TYR HA H 15 4.522 4.522 4.864 -0.342 25789
3255 1 13 . 1 1 15 15 TYR CB C 15 38.301 38.301 39.674 -1.373 25789
3256 1 13 . 1 1 15 15 TYR H H 15 8.949 8.949 8.031 0.918 25789
3257 1 13 . 1 1 16 16 PRO HA H 16 4.094 4.094 4.751 -0.657 25789
3258 1 13 . 1 1 16 16 PRO C C 16 177.191 177.191 175.792 1.399 25789
3259 1 13 . 1 1 16 16 PRO CA C 16 62.523 62.523 61.910 0.613 25789
3260 1 13 . 1 1 16 16 PRO CB C 16 32.836 32.836 32.772 0.064 25789
3261 1 13 . 1 1 17 17 VAL N N 17 114.809 114.809 114.059 0.750 25789
3262 1 13 . 1 1 17 17 VAL HA H 17 4.184 4.184 4.618 -0.434 25789
3263 1 13 . 1 1 17 17 VAL C C 17 172.678 172.678 173.630 -0.952 25789
3264 1 13 . 1 1 17 17 VAL CA C 17 60.249 60.249 58.873 1.376 25789
3265 1 13 . 1 1 17 17 VAL CB C 17 36.086 36.086 35.245 0.841 25789
3266 1 13 . 1 1 17 17 VAL H H 17 8.355 8.355 8.351 0.004 25789
3267 1 13 . 1 1 18 18 CYS N N 18 123.493 123.493 120.139 3.354 25789
3268 1 13 . 1 1 18 18 CYS HA H 18 5.217 5.217 5.184 0.033 25789
3269 1 13 . 1 1 18 18 CYS C C 18 175.720 175.720 174.955 0.765 25789
3270 1 13 . 1 1 18 18 CYS CA C 18 53.874 53.874 56.783 -2.909 25789
3271 1 13 . 1 1 18 18 CYS CB C 18 38.042 38.042 28.468 9.574 25789
3272 1 13 . 1 1 18 18 CYS H H 18 8.245 8.245 8.171 0.074 25789
3273 1 13 . 1 1 19 19 GLY N N 19 116.182 116.182 114.484 1.698 25789
3274 1 13 . 1 1 19 19 GLY C C 19 176.356 176.356 175.310 1.046 25789
3275 1 13 . 1 1 19 19 GLY CA C 19 45.350 45.350 44.768 0.582 25789
3276 1 13 . 1 1 19 19 GLY H H 19 9.676 9.676 9.260 0.416 25789
3277 1 13 . 1 1 20 20 SER N N 20 119.167 119.167 120.033 -0.866 25789
3278 1 13 . 1 1 20 20 SER HA H 20 4.147 4.147 4.230 -0.083 25789
3279 1 13 . 1 1 20 20 SER C C 20 173.922 173.922 175.066 -1.144 25789
3280 1 13 . 1 1 20 20 SER CA C 20 61.110 61.110 61.489 -0.379 25789
3281 1 13 . 1 1 20 20 SER CB C 20 62.104 62.104 63.100 -0.996 25789
3282 1 13 . 1 1 20 20 SER H H 20 9.783 9.783 8.827 0.956 25789
3283 1 13 . 1 1 21 21 ASP N N 21 120.973 120.973 119.224 1.749 25789
3284 1 13 . 1 1 21 21 ASP HA H 21 4.512 4.512 4.649 -0.137 25789
3285 1 13 . 1 1 21 21 ASP C C 21 177.137 177.137 176.796 0.341 25789
3286 1 13 . 1 1 21 21 ASP CA C 21 53.514 53.514 53.947 -0.433 25789
3287 1 13 . 1 1 21 21 ASP CB C 21 39.784 39.784 40.976 -1.192 25789
3288 1 13 . 1 1 21 21 ASP H H 21 8.823 8.823 7.880 0.943 25789
3289 1 13 . 1 1 22 22 GLY N N 22 109.625 109.625 108.232 1.393 25789
3290 1 13 . 1 1 22 22 GLY C C 22 173.782 173.782 173.644 0.138 25789
3291 1 13 . 1 1 22 22 GLY CA C 22 45.916 45.916 45.294 0.622 25789
3292 1 13 . 1 1 22 22 GLY H H 22 8.448 8.448 8.416 0.032 25789
3293 1 13 . 1 1 23 23 VAL N N 23 124.643 124.643 120.812 3.831 25789
3294 1 13 . 1 1 23 23 VAL HA H 23 3.850 3.850 4.330 -0.480 25789
3295 1 13 . 1 1 23 23 VAL CA C 23 61.747 61.747 59.986 1.760 25789
3296 1 13 . 1 1 23 23 VAL CB C 23 33.045 33.045 33.627 -0.582 25789
3297 1 13 . 1 1 23 23 VAL H H 23 7.755 7.755 7.504 0.251 25789
3298 1 13 . 1 1 24 24 THR N N 24 124.128 124.128 125.648 -1.520 25789
3299 1 13 . 1 1 24 24 THR HA H 24 4.751 4.751 4.225 0.526 25789
3300 1 13 . 1 1 24 24 THR C C 24 174.674 174.674 173.266 1.408 25789
3301 1 13 . 1 1 24 24 THR CA C 24 62.517 62.517 62.845 -0.328 25789
3302 1 13 . 1 1 24 24 THR CB C 24 69.332 69.332 68.779 0.553 25789
3303 1 13 . 1 1 24 24 THR H H 24 8.204 8.204 8.393 -0.189 25789
3304 1 13 . 1 1 25 25 TYR N N 25 130.525 130.525 128.313 2.212 25789
3305 1 13 . 1 1 25 25 TYR HA H 25 4.580 4.580 4.522 0.058 25789
3306 1 13 . 1 1 25 25 TYR C C 25 176.958 176.958 176.029 0.929 25789
3307 1 13 . 1 1 25 25 TYR CA C 25 58.112 58.112 57.111 1.001 25789
3308 1 13 . 1 1 25 25 TYR CB C 25 40.957 40.957 39.670 1.286 25789
3309 1 13 . 1 1 25 25 TYR H H 25 9.528 9.528 8.698 0.830 25789
3310 1 13 . 1 1 26 26 SER N N 26 118.275 118.275 117.909 0.366 25789
3311 1 13 . 1 1 26 26 SER HA H 26 3.688 3.688 3.465 0.223 25789
3312 1 13 . 1 1 26 26 SER C C 26 172.371 172.371 172.380 -0.009 25789
3313 1 13 . 1 1 26 26 SER CA C 26 61.334 61.334 59.657 1.677 25789
3314 1 13 . 1 1 26 26 SER CB C 26 63.624 63.624 63.365 0.259 25789
3315 1 13 . 1 1 26 26 SER H H 26 9.300 9.300 8.921 0.379 25789
3316 1 13 . 1 1 27 27 ASN N N 27 109.467 109.467 110.394 -0.927 25789
3317 1 13 . 1 1 27 27 ASN HA H 27 5.456 5.456 5.516 -0.060 25789
3318 1 13 . 1 1 27 27 ASN CA C 27 51.882 51.882 51.797 0.085 25789
3319 1 13 . 1 1 27 27 ASN CB C 27 36.669 36.669 38.095 -1.426 25789
3320 1 13 . 1 1 27 27 ASN H H 27 7.341 7.341 7.415 -0.074 25789
3321 1 13 . 1 1 28 28 PRO HA H 28 4.225 4.225 4.154 0.071 25789
3322 1 13 . 1 1 28 28 PRO C C 28 177.600 177.600 178.037 -0.437 25789
3323 1 13 . 1 1 28 28 PRO CA C 28 65.794 65.794 66.253 -0.459 25789
3324 1 13 . 1 1 28 28 PRO CB C 28 32.317 32.317 31.648 0.670 25789
3325 1 13 . 1 1 29 29 CYS N N 29 120.684 120.684 112.522 8.162 25789
3326 1 13 . 1 1 29 29 CYS HA H 29 4.371 4.371 4.200 0.171 25789
3327 1 13 . 1 1 29 29 CYS C C 29 177.390 177.390 176.859 0.531 25789
3328 1 13 . 1 1 29 29 CYS CA C 29 60.240 60.240 60.874 -0.634 25789
3329 1 13 . 1 1 29 29 CYS CB C 29 36.524 36.524 26.128 10.396 25789
3330 1 13 . 1 1 29 29 CYS H H 29 8.275 8.275 8.457 -0.182 25789
3331 1 13 . 1 1 30 30 ASN N N 30 122.591 122.591 121.054 1.537 25789
3332 1 13 . 1 1 30 30 ASN HA H 30 4.515 4.515 4.420 0.095 25789
3333 1 13 . 1 1 30 30 ASN C C 30 178.484 178.484 176.974 1.510 25789
3334 1 13 . 1 1 30 30 ASN CA C 30 57.010 57.010 56.251 0.759 25789
3335 1 13 . 1 1 30 30 ASN CB C 30 39.559 39.559 38.874 0.685 25789
3336 1 13 . 1 1 30 30 ASN H H 30 8.653 8.653 8.365 0.288 25789
3337 1 13 . 1 1 31 31 PHE N N 31 121.793 121.793 120.705 1.088 25789
3338 1 13 . 1 1 31 31 PHE HA H 31 3.222 3.222 3.079 0.143 25789
3339 1 13 . 1 1 31 31 PHE C C 31 175.893 175.893 176.858 -0.965 25789
3340 1 13 . 1 1 31 31 PHE CA C 31 61.887 61.887 60.993 0.894 25789
3341 1 13 . 1 1 31 31 PHE CB C 31 38.828 38.828 39.108 -0.280 25789
3342 1 13 . 1 1 31 31 PHE H H 31 7.848 7.848 7.851 -0.003 25789
3343 1 13 . 1 1 32 32 SER N N 32 116.875 116.875 115.408 1.467 25789
3344 1 13 . 1 1 32 32 SER HA H 32 3.785 3.785 3.986 -0.201 25789
3345 1 13 . 1 1 32 32 SER C C 32 175.874 175.874 176.712 -0.838 25789
3346 1 13 . 1 1 32 32 SER CA C 32 61.991 61.991 62.260 -0.269 25789
3347 1 13 . 1 1 32 32 SER CB C 32 62.697 62.697 62.712 -0.016 25789
3348 1 13 . 1 1 32 32 SER H H 32 8.661 8.661 8.785 -0.124 25789
3349 1 13 . 1 1 33 33 ALA N N 33 122.924 122.924 123.621 -0.697 25789
3350 1 13 . 1 1 33 33 ALA HA H 33 3.877 3.877 4.218 -0.341 25789
3351 1 13 . 1 1 33 33 ALA C C 33 178.824 178.824 179.396 -0.572 25789
3352 1 13 . 1 1 33 33 ALA CA C 33 55.115 55.115 54.930 0.185 25789
3353 1 13 . 1 1 33 33 ALA CB C 33 18.889 18.889 18.041 0.848 25789
3354 1 13 . 1 1 33 33 ALA H H 33 7.977 7.977 7.845 0.132 25789
3355 1 13 . 1 1 34 34 GLN N N 34 119.261 119.261 118.725 0.536 25789
3356 1 13 . 1 1 34 34 GLN HA H 34 3.595 3.595 4.016 -0.421 25789
3357 1 13 . 1 1 34 34 GLN C C 34 178.745 178.745 178.526 0.219 25789
3358 1 13 . 1 1 34 34 GLN CA C 34 58.880 58.880 58.298 0.582 25789
3359 1 13 . 1 1 34 34 GLN CB C 34 27.349 27.349 28.378 -1.029 25789
3360 1 13 . 1 1 34 34 GLN H H 34 7.177 7.177 7.882 -0.705 25789
3361 1 13 . 1 1 35 35 GLN N N 35 122.346 122.346 117.178 5.168 25789
3362 1 13 . 1 1 35 35 GLN HA H 35 4.008 4.008 4.063 -0.055 25789
3363 1 13 . 1 1 35 35 GLN C C 35 176.948 176.948 177.379 -0.431 25789
3364 1 13 . 1 1 35 35 GLN CA C 35 57.174 57.174 57.605 -0.431 25789
3365 1 13 . 1 1 35 35 GLN CB C 35 29.865 29.865 28.503 1.362 25789
3366 1 13 . 1 1 35 35 GLN H H 35 7.716 7.716 7.719 -0.003 25789
3367 1 13 . 1 1 36 36 GLU N N 36 114.288 114.288 116.972 -2.684 25789
3368 1 13 . 1 1 36 36 GLU HA H 36 3.891 3.891 4.036 -0.145 25789
3369 1 13 . 1 1 36 36 GLU C C 36 179.191 179.191 178.104 1.087 25789
3370 1 13 . 1 1 36 36 GLU CA C 36 58.444 58.444 58.258 0.186 25789
3371 1 13 . 1 1 36 36 GLU CB C 36 30.860 30.860 29.317 1.543 25789
3372 1 13 . 1 1 36 36 GLU H H 36 8.239 8.239 8.037 0.202 25789
3373 1 13 . 1 1 37 37 GLN N N 37 112.767 112.767 117.204 -4.437 25789
3374 1 13 . 1 1 37 37 GLN HA H 37 4.382 4.382 4.400 -0.018 25789
3375 1 13 . 1 1 37 37 GLN C C 37 177.125 177.125 176.210 0.915 25789
3376 1 13 . 1 1 37 37 GLN CA C 37 56.848 56.848 57.940 -1.091 25789
3377 1 13 . 1 1 37 37 GLN CB C 37 30.442 30.442 30.376 0.066 25789
3378 1 13 . 1 1 37 37 GLN H H 37 7.644 7.644 7.740 -0.096 25789
3379 1 13 . 1 1 38 38 CYS N N 38 115.172 115.172 114.862 0.310 25789
3380 1 13 . 1 1 38 38 CYS HA H 38 5.033 5.033 4.698 0.335 25789
3381 1 13 . 1 1 38 38 CYS C C 38 174.561 174.561 174.767 -0.206 25789
3382 1 13 . 1 1 38 38 CYS CA C 38 54.813 54.813 57.915 -3.102 25789
3383 1 13 . 1 1 38 38 CYS CB C 38 41.981 41.981 29.368 12.613 25789
3384 1 13 . 1 1 38 38 CYS H H 38 7.704 7.704 7.834 -0.130 25789
3385 1 13 . 1 1 39 39 ASP N N 39 118.112 118.112 121.561 -3.449 25789
3386 1 13 . 1 1 39 39 ASP HA H 39 5.035 5.035 5.054 -0.019 25789
3387 1 13 . 1 1 39 39 ASP CA C 39 51.652 51.652 51.076 0.576 25789
3388 1 13 . 1 1 39 39 ASP CB C 39 41.995 41.995 42.172 -0.177 25789
3389 1 13 . 1 1 39 39 ASP H H 39 7.824 7.824 7.748 0.076 25789
3390 1 13 . 1 1 40 40 PRO HA H 40 4.682 4.682 4.371 0.311 25789
3391 1 13 . 1 1 40 40 PRO C C 40 177.751 177.751 176.831 0.920 25789
3392 1 13 . 1 1 40 40 PRO CA C 40 63.531 63.531 63.568 -0.037 25789
3393 1 13 . 1 1 40 40 PRO CB C 40 32.479 32.479 32.235 0.244 25789
3394 1 13 . 1 1 41 41 ASN N N 41 114.538 114.538 115.466 -0.928 25789
3395 1 13 . 1 1 41 41 ASN HA H 41 4.710 4.710 4.624 0.086 25789
3396 1 13 . 1 1 41 41 ASN C C 41 175.877 175.877 175.710 0.167 25789
3397 1 13 . 1 1 41 41 ASN CA C 41 53.533 53.533 53.527 0.006 25789
3398 1 13 . 1 1 41 41 ASN CB C 41 39.317 39.317 39.630 -0.313 25789
3399 1 13 . 1 1 41 41 ASN H H 41 8.183 8.183 8.055 0.128 25789
3400 1 13 . 1 1 42 42 ILE N N 42 117.609 117.609 116.831 0.778 25789
3401 1 13 . 1 1 42 42 ILE HA H 42 4.188 4.188 4.218 -0.030 25789
3402 1 13 . 1 1 42 42 ILE C C 42 174.947 174.947 175.157 -0.210 25789
3403 1 13 . 1 1 42 42 ILE CA C 42 62.863 62.863 60.473 2.390 25789
3404 1 13 . 1 1 42 42 ILE CB C 42 39.653 39.653 38.901 0.752 25789
3405 1 13 . 1 1 42 42 ILE H H 42 7.260 7.260 7.452 -0.192 25789
3406 1 13 . 1 1 43 43 THR N N 43 114.448 114.448 116.542 -2.094 25789
3407 1 13 . 1 1 43 43 THR HA H 43 4.814 4.814 4.806 0.008 25789
3408 1 13 . 1 1 43 43 THR C C 43 173.737 173.737 174.115 -0.378 25789
3409 1 13 . 1 1 43 43 THR CA C 43 60.118 60.118 60.289 -0.171 25789
3410 1 13 . 1 1 43 43 THR CB C 43 72.559 72.559 71.291 1.268 25789
3411 1 13 . 1 1 43 43 THR H H 43 8.828 8.828 7.890 0.938 25789
3412 1 13 . 1 1 44 44 ILE N N 44 121.256 121.256 122.007 -0.751 25789
3413 1 13 . 1 1 44 44 ILE HA H 44 3.475 3.475 3.914 -0.439 25789
3414 1 13 . 1 1 44 44 ILE C C 44 176.400 176.400 176.272 0.128 25789
3415 1 13 . 1 1 44 44 ILE CA C 44 62.849 62.849 62.217 0.632 25789
3416 1 13 . 1 1 44 44 ILE CB C 44 37.712 37.712 37.398 0.314 25789
3417 1 13 . 1 1 44 44 ILE H H 44 8.487 8.487 8.468 0.019 25789
3418 1 13 . 1 1 45 45 ALA N N 45 140.640 140.640 131.748 8.892 25789
3419 1 13 . 1 1 45 45 ALA HA H 45 4.210 4.210 4.282 -0.072 25789
3420 1 13 . 1 1 45 45 ALA C C 45 178.725 178.725 177.236 1.489 25789
3421 1 13 . 1 1 45 45 ALA CA C 45 54.537 54.537 53.607 0.930 25789
3422 1 13 . 1 1 45 45 ALA CB C 45 19.216 19.216 20.308 -1.092 25789
3423 1 13 . 1 1 45 45 ALA H H 45 9.195 9.195 9.041 0.154 25789
3424 1 13 . 1 1 46 46 HIS N N 46 106.909 106.909 109.477 -2.568 25789
3425 1 13 . 1 1 46 46 HIS HA H 46 4.608 4.608 4.701 -0.093 25789
3426 1 13 . 1 1 46 46 HIS C C 46 173.062 173.062 172.896 0.166 25789
3427 1 13 . 1 1 46 46 HIS CA C 46 54.573 54.573 54.821 -0.248 25789
3428 1 13 . 1 1 46 46 HIS CB C 46 29.351 29.351 30.123 -0.772 25789
3429 1 13 . 1 1 46 46 HIS H H 46 7.240 7.240 7.331 -0.091 25789
3430 1 13 . 1 1 47 47 MET N N 47 119.326 119.326 121.703 -2.377 25789
3431 1 13 . 1 1 47 47 MET HA H 47 4.655 4.655 4.218 0.437 25789
3432 1 13 . 1 1 47 47 MET C C 47 179.036 179.036 176.597 2.439 25789
3433 1 13 . 1 1 47 47 MET CA C 47 54.965 54.965 55.822 -0.857 25789
3434 1 13 . 1 1 47 47 MET CB C 47 31.458 31.458 32.530 -1.072 25789
3435 1 13 . 1 1 47 47 MET H H 47 9.092 9.092 8.678 0.414 25789
3436 1 13 . 1 1 48 48 GLY N N 48 114.963 114.963 113.072 1.891 25789
3437 1 13 . 1 1 48 48 GLY C C 48 170.539 170.539 172.647 -2.108 25789
3438 1 13 . 1 1 48 48 GLY CA C 48 44.288 44.288 44.237 0.051 25789
3439 1 13 . 1 1 48 48 GLY H H 48 8.162 8.162 8.315 -0.153 25789
3440 1 13 . 1 1 49 49 GLU N N 49 113.303 113.303 119.520 -6.217 25789
3441 1 13 . 1 1 49 49 GLU HA H 49 3.971 3.971 4.104 -0.133 25789
3442 1 13 . 1 1 49 49 GLU C C 49 178.243 178.243 177.001 1.242 25789
3443 1 13 . 1 1 49 49 GLU CA C 49 56.770 56.770 55.876 0.894 25789
3444 1 13 . 1 1 49 49 GLU CB C 49 30.475 30.475 30.468 0.007 25789
3445 1 13 . 1 1 49 49 GLU H H 49 8.225 8.225 8.444 -0.219 25789
3446 1 14 . 1 1 2 2 GLU N N 2 120.587 120.587 119.105 1.482 25789
3447 1 14 . 1 1 2 2 GLU HA H 2 4.778 4.778 4.407 0.371 25789
3448 1 14 . 1 1 2 2 GLU CA C 2 56.919 56.919 56.333 0.586 25789
3449 1 14 . 1 1 2 2 GLU CB C 2 30.334 30.334 31.368 -1.034 25789
3450 1 14 . 1 1 2 2 GLU H H 2 8.777 8.777 8.532 0.245 25789
3451 1 14 . 1 1 3 3 ASP N N 3 121.555 121.555 118.894 2.661 25789
3452 1 14 . 1 1 3 3 ASP HA H 3 4.543 4.543 4.908 -0.365 25789
3453 1 14 . 1 1 3 3 ASP H H 3 8.491 8.491 8.144 0.347 25789
3454 1 14 . 1 1 4 4 CYS N N 4 122.792 122.792 118.961 3.831 25789
3455 1 14 . 1 1 4 4 CYS HA H 4 4.587 4.587 4.802 -0.215 25789
3456 1 14 . 1 1 4 4 CYS C C 4 173.506 173.506 173.329 0.177 25789
3457 1 14 . 1 1 4 4 CYS CA C 4 57.905 57.905 57.081 0.824 25789
3458 1 14 . 1 1 4 4 CYS CB C 4 38.220 38.220 28.983 9.237 25789
3459 1 14 . 1 1 4 4 CYS H H 4 8.347 8.347 8.425 -0.078 25789
3460 1 14 . 1 1 5 5 VAL N N 5 130.233 130.233 120.602 9.631 25789
3461 1 14 . 1 1 5 5 VAL HA H 5 4.591 4.591 4.455 0.136 25789
3462 1 14 . 1 1 5 5 VAL C C 5 175.872 175.872 176.595 -0.723 25789
3463 1 14 . 1 1 5 5 VAL CA C 5 61.756 61.756 61.157 0.598 25789
3464 1 14 . 1 1 5 5 VAL CB C 5 34.641 34.641 32.890 1.751 25789
3465 1 14 . 1 1 5 5 VAL H H 5 8.597 8.597 8.156 0.441 25789
3466 1 14 . 1 1 6 6 GLY N N 6 115.595 115.595 115.854 -0.259 25789
3467 1 14 . 1 1 6 6 GLY C C 6 173.454 173.454 172.882 0.572 25789
3468 1 14 . 1 1 6 6 GLY CA C 6 45.527 45.527 45.098 0.429 25789
3469 1 14 . 1 1 6 6 GLY H H 6 8.836 8.836 8.623 0.213 25789
3470 1 14 . 1 1 7 7 ARG N N 7 124.372 124.372 123.876 0.496 25789
3471 1 14 . 1 1 7 7 ARG HA H 7 4.637 4.637 5.120 -0.483 25789
3472 1 14 . 1 1 7 7 ARG C C 7 175.190 175.190 174.688 0.502 25789
3473 1 14 . 1 1 7 7 ARG CA C 7 55.528 55.528 54.903 0.625 25789
3474 1 14 . 1 1 7 7 ARG CB C 7 32.434 32.434 33.179 -0.745 25789
3475 1 14 . 1 1 7 7 ARG H H 7 8.760 8.760 8.147 0.613 25789
3476 1 14 . 1 1 8 8 LYS N N 8 126.364 126.364 125.851 0.513 25789
3477 1 14 . 1 1 8 8 LYS HA H 8 4.435 4.435 4.481 -0.046 25789
3478 1 14 . 1 1 8 8 LYS C C 8 174.455 174.455 175.118 -0.663 25789
3479 1 14 . 1 1 8 8 LYS CA C 8 55.630 55.630 55.007 0.623 25789
3480 1 14 . 1 1 8 8 LYS CB C 8 36.088 36.088 33.969 2.119 25789
3481 1 14 . 1 1 8 8 LYS H H 8 8.497 8.497 8.558 -0.061 25789
3482 1 14 . 1 1 9 9 ALA N N 9 126.059 126.059 127.515 -1.456 25789
3483 1 14 . 1 1 9 9 ALA HA H 9 4.462 4.462 4.373 0.089 25789
3484 1 14 . 1 1 9 9 ALA C C 9 176.690 176.690 176.899 -0.209 25789
3485 1 14 . 1 1 9 9 ALA CA C 9 52.255 52.255 52.074 0.181 25789
3486 1 14 . 1 1 9 9 ALA CB C 9 17.072 17.072 19.090 -2.018 25789
3487 1 14 . 1 1 9 9 ALA H H 9 8.339 8.339 8.450 -0.111 25789
3488 1 14 . 1 1 10 10 CYS N N 10 123.013 123.013 121.398 1.615 25789
3489 1 14 . 1 1 10 10 CYS HA H 10 5.070 5.070 4.914 0.156 25789
3490 1 14 . 1 1 10 10 CYS C C 10 175.913 175.913 173.918 1.995 25789
3491 1 14 . 1 1 10 10 CYS CA C 10 52.909 52.909 57.822 -4.913 25789
3492 1 14 . 1 1 10 10 CYS CB C 10 41.080 41.080 30.738 10.342 25789
3493 1 14 . 1 1 10 10 CYS H H 10 8.103 8.103 8.650 -0.547 25789
3494 1 14 . 1 1 11 11 THR N N 11 113.789 113.789 118.330 -4.541 25789
3495 1 14 . 1 1 11 11 THR HA H 11 4.510 4.510 4.557 -0.047 25789
3496 1 14 . 1 1 11 11 THR C C 11 174.887 174.887 174.411 0.476 25789
3497 1 14 . 1 1 11 11 THR CA C 11 61.918 61.918 62.708 -0.790 25789
3498 1 14 . 1 1 11 11 THR CB C 11 69.543 69.543 69.393 0.150 25789
3499 1 14 . 1 1 11 11 THR H H 11 8.272 8.272 8.396 -0.124 25789
3500 1 14 . 1 1 12 12 ARG N N 12 120.274 120.274 121.803 -1.529 25789
3501 1 14 . 1 1 12 12 ARG HA H 12 4.451 4.451 4.537 -0.086 25789
3502 1 14 . 1 1 12 12 ARG C C 12 176.188 176.188 175.635 0.553 25789
3503 1 14 . 1 1 12 12 ARG CA C 12 55.853 55.853 56.188 -0.335 25789
3504 1 14 . 1 1 12 12 ARG CB C 12 29.473 29.473 31.493 -2.020 25789
3505 1 14 . 1 1 12 12 ARG H H 12 8.585 8.585 8.813 -0.228 25789
3506 1 14 . 1 1 13 13 GLU N N 13 122.312 122.312 118.570 3.742 25789
3507 1 14 . 1 1 13 13 GLU HA H 13 4.206 4.206 4.334 -0.128 25789
3508 1 14 . 1 1 13 13 GLU C C 13 175.542 175.542 174.181 1.361 25789
3509 1 14 . 1 1 13 13 GLU CA C 13 57.303 57.303 55.625 1.678 25789
3510 1 14 . 1 1 13 13 GLU CB C 13 30.201 30.201 31.599 -1.398 25789
3511 1 14 . 1 1 13 13 GLU H H 13 8.069 8.069 7.678 0.391 25789
3512 1 14 . 1 1 14 14 TRP N N 14 126.929 126.929 126.966 -0.037 25789
3513 1 14 . 1 1 14 14 TRP HA H 14 5.125 5.125 5.055 0.070 25789
3514 1 14 . 1 1 14 14 TRP C C 14 174.853 174.853 174.557 0.296 25789
3515 1 14 . 1 1 14 14 TRP CA C 14 56.388 56.388 55.675 0.713 25789
3516 1 14 . 1 1 14 14 TRP CB C 14 29.804 29.804 29.985 -0.181 25789
3517 1 14 . 1 1 14 14 TRP H H 14 8.823 8.823 8.598 0.225 25789
3518 1 14 . 1 1 15 15 TYR N N 15 129.982 129.982 125.588 4.394 25789
3519 1 14 . 1 1 15 15 TYR HA H 15 4.522 4.522 4.766 -0.244 25789
3520 1 14 . 1 1 15 15 TYR CB C 15 38.301 38.301 39.423 -1.122 25789
3521 1 14 . 1 1 15 15 TYR H H 15 8.949 8.949 7.793 1.156 25789
3522 1 14 . 1 1 16 16 PRO HA H 16 4.094 4.094 4.999 -0.905 25789
3523 1 14 . 1 1 16 16 PRO C C 16 177.191 177.191 176.110 1.081 25789
3524 1 14 . 1 1 16 16 PRO CA C 16 62.523 62.523 61.660 0.862 25789
3525 1 14 . 1 1 16 16 PRO CB C 16 32.836 32.836 32.260 0.576 25789
3526 1 14 . 1 1 17 17 VAL N N 17 114.809 114.809 116.997 -2.188 25789
3527 1 14 . 1 1 17 17 VAL HA H 17 4.184 4.184 4.701 -0.517 25789
3528 1 14 . 1 1 17 17 VAL C C 17 172.678 172.678 173.817 -1.139 25789
3529 1 14 . 1 1 17 17 VAL CA C 17 60.249 60.249 59.512 0.737 25789
3530 1 14 . 1 1 17 17 VAL CB C 17 36.086 36.086 35.319 0.767 25789
3531 1 14 . 1 1 17 17 VAL H H 17 8.355 8.355 8.516 -0.161 25789
3532 1 14 . 1 1 18 18 CYS N N 18 123.493 123.493 120.604 2.889 25789
3533 1 14 . 1 1 18 18 CYS HA H 18 5.217 5.217 5.490 -0.273 25789
3534 1 14 . 1 1 18 18 CYS C C 18 175.720 175.720 175.263 0.457 25789
3535 1 14 . 1 1 18 18 CYS CA C 18 53.874 53.874 56.007 -2.133 25789
3536 1 14 . 1 1 18 18 CYS CB C 18 38.042 38.042 29.064 8.977 25789
3537 1 14 . 1 1 18 18 CYS H H 18 8.245 8.245 8.671 -0.426 25789
3538 1 14 . 1 1 19 19 GLY N N 19 116.182 116.182 114.306 1.876 25789
3539 1 14 . 1 1 19 19 GLY C C 19 176.356 176.356 174.912 1.444 25789
3540 1 14 . 1 1 19 19 GLY CA C 19 45.350 45.350 45.029 0.321 25789
3541 1 14 . 1 1 19 19 GLY H H 19 9.676 9.676 9.372 0.304 25789
3542 1 14 . 1 1 20 20 SER N N 20 119.167 119.167 118.578 0.589 25789
3543 1 14 . 1 1 20 20 SER HA H 20 4.147 4.147 4.278 -0.131 25789
3544 1 14 . 1 1 20 20 SER C C 20 173.922 173.922 175.188 -1.266 25789
3545 1 14 . 1 1 20 20 SER CA C 20 61.110 61.110 60.645 0.465 25789
3546 1 14 . 1 1 20 20 SER CB C 20 62.104 62.104 63.138 -1.034 25789
3547 1 14 . 1 1 20 20 SER H H 20 9.783 9.783 8.901 0.882 25789
3548 1 14 . 1 1 21 21 ASP N N 21 120.973 120.973 119.084 1.889 25789
3549 1 14 . 1 1 21 21 ASP HA H 21 4.512 4.512 4.640 -0.128 25789
3550 1 14 . 1 1 21 21 ASP C C 21 177.137 177.137 176.587 0.550 25789
3551 1 14 . 1 1 21 21 ASP CA C 21 53.514 53.514 53.906 -0.392 25789
3552 1 14 . 1 1 21 21 ASP CB C 21 39.784 39.784 41.038 -1.254 25789
3553 1 14 . 1 1 21 21 ASP H H 21 8.823 8.823 8.021 0.802 25789
3554 1 14 . 1 1 22 22 GLY N N 22 109.625 109.625 107.958 1.667 25789
3555 1 14 . 1 1 22 22 GLY C C 22 173.782 173.782 173.499 0.283 25789
3556 1 14 . 1 1 22 22 GLY CA C 22 45.916 45.916 45.032 0.884 25789
3557 1 14 . 1 1 22 22 GLY H H 22 8.448 8.448 8.432 0.016 25789
3558 1 14 . 1 1 23 23 VAL N N 23 124.643 124.643 119.173 5.470 25789
3559 1 14 . 1 1 23 23 VAL HA H 23 3.850 3.850 4.375 -0.525 25789
3560 1 14 . 1 1 23 23 VAL CA C 23 61.747 61.747 59.592 2.155 25789
3561 1 14 . 1 1 23 23 VAL CB C 23 33.045 33.045 33.706 -0.661 25789
3562 1 14 . 1 1 23 23 VAL H H 23 7.755 7.755 7.529 0.226 25789
3563 1 14 . 1 1 24 24 THR N N 24 124.128 124.128 124.120 0.008 25789
3564 1 14 . 1 1 24 24 THR HA H 24 4.751 4.751 4.400 0.351 25789
3565 1 14 . 1 1 24 24 THR C C 24 174.674 174.674 173.756 0.918 25789
3566 1 14 . 1 1 24 24 THR CA C 24 62.517 62.517 63.201 -0.684 25789
3567 1 14 . 1 1 24 24 THR CB C 24 69.332 69.332 68.819 0.514 25789
3568 1 14 . 1 1 24 24 THR H H 24 8.204 8.204 8.422 -0.218 25789
3569 1 14 . 1 1 25 25 TYR N N 25 130.525 130.525 128.084 2.441 25789
3570 1 14 . 1 1 25 25 TYR HA H 25 4.580 4.580 4.964 -0.384 25789
3571 1 14 . 1 1 25 25 TYR C C 25 176.958 176.958 176.663 0.295 25789
3572 1 14 . 1 1 25 25 TYR CA C 25 58.112 58.112 56.745 1.367 25789
3573 1 14 . 1 1 25 25 TYR CB C 25 40.957 40.957 40.662 0.295 25789
3574 1 14 . 1 1 25 25 TYR H H 25 9.528 9.528 9.208 0.320 25789
3575 1 14 . 1 1 26 26 SER N N 26 118.275 118.275 118.789 -0.514 25789
3576 1 14 . 1 1 26 26 SER HA H 26 3.688 3.688 3.472 0.216 25789
3577 1 14 . 1 1 26 26 SER C C 26 172.371 172.371 173.363 -0.992 25789
3578 1 14 . 1 1 26 26 SER CA C 26 61.334 61.334 61.659 -0.325 25789
3579 1 14 . 1 1 26 26 SER CB C 26 63.624 63.624 63.844 -0.220 25789
3580 1 14 . 1 1 26 26 SER H H 26 9.300 9.300 9.560 -0.260 25789
3581 1 14 . 1 1 27 27 ASN N N 27 109.467 109.467 112.260 -2.793 25789
3582 1 14 . 1 1 27 27 ASN HA H 27 5.456 5.456 5.515 -0.059 25789
3583 1 14 . 1 1 27 27 ASN CA C 27 51.882 51.882 52.239 -0.357 25789
3584 1 14 . 1 1 27 27 ASN CB C 27 36.669 36.669 38.464 -1.795 25789
3585 1 14 . 1 1 27 27 ASN H H 27 7.341 7.341 7.402 -0.061 25789
3586 1 14 . 1 1 28 28 PRO HA H 28 4.225 4.225 4.114 0.111 25789
3587 1 14 . 1 1 28 28 PRO C C 28 177.600 177.600 178.297 -0.697 25789
3588 1 14 . 1 1 28 28 PRO CA C 28 65.794 65.794 65.881 -0.087 25789
3589 1 14 . 1 1 28 28 PRO CB C 28 32.317 32.317 31.616 0.702 25789
3590 1 14 . 1 1 29 29 CYS N N 29 120.684 120.684 112.193 8.491 25789
3591 1 14 . 1 1 29 29 CYS HA H 29 4.371 4.371 4.184 0.187 25789
3592 1 14 . 1 1 29 29 CYS C C 29 177.390 177.390 176.872 0.518 25789
3593 1 14 . 1 1 29 29 CYS CA C 29 60.240 60.240 61.761 -1.522 25789
3594 1 14 . 1 1 29 29 CYS CB C 29 36.524 36.524 26.029 10.495 25789
3595 1 14 . 1 1 29 29 CYS H H 29 8.275 8.275 8.591 -0.316 25789
3596 1 14 . 1 1 30 30 ASN N N 30 122.591 122.591 121.306 1.285 25789
3597 1 14 . 1 1 30 30 ASN HA H 30 4.515 4.515 4.477 0.038 25789
3598 1 14 . 1 1 30 30 ASN C C 30 178.484 178.484 176.978 1.506 25789
3599 1 14 . 1 1 30 30 ASN CA C 30 57.010 57.010 56.440 0.570 25789
3600 1 14 . 1 1 30 30 ASN CB C 30 39.559 39.559 38.896 0.663 25789
3601 1 14 . 1 1 30 30 ASN H H 30 8.653 8.653 7.911 0.742 25789
3602 1 14 . 1 1 31 31 PHE N N 31 121.793 121.793 120.791 1.002 25789
3603 1 14 . 1 1 31 31 PHE HA H 31 3.222 3.222 3.158 0.064 25789
3604 1 14 . 1 1 31 31 PHE C C 31 175.893 175.893 177.010 -1.117 25789
3605 1 14 . 1 1 31 31 PHE CA C 31 61.887 61.887 60.710 1.177 25789
3606 1 14 . 1 1 31 31 PHE CB C 31 38.828 38.828 38.993 -0.165 25789
3607 1 14 . 1 1 31 31 PHE H H 31 7.848 7.848 7.680 0.168 25789
3608 1 14 . 1 1 32 32 SER N N 32 116.875 116.875 115.333 1.542 25789
3609 1 14 . 1 1 32 32 SER HA H 32 3.785 3.785 3.986 -0.201 25789
3610 1 14 . 1 1 32 32 SER C C 32 175.874 175.874 176.728 -0.854 25789
3611 1 14 . 1 1 32 32 SER CA C 32 61.991 61.991 62.140 -0.149 25789
3612 1 14 . 1 1 32 32 SER CB C 32 62.697 62.697 63.252 -0.555 25789
3613 1 14 . 1 1 32 32 SER H H 32 8.661 8.661 8.662 -0.001 25789
3614 1 14 . 1 1 33 33 ALA N N 33 122.924 122.924 123.327 -0.403 25789
3615 1 14 . 1 1 33 33 ALA HA H 33 3.877 3.877 4.203 -0.326 25789
3616 1 14 . 1 1 33 33 ALA C C 33 178.824 178.824 179.051 -0.227 25789
3617 1 14 . 1 1 33 33 ALA CA C 33 55.115 55.115 55.077 0.038 25789
3618 1 14 . 1 1 33 33 ALA CB C 33 18.889 18.889 18.160 0.729 25789
3619 1 14 . 1 1 33 33 ALA H H 33 7.977 7.977 8.428 -0.451 25789
3620 1 14 . 1 1 34 34 GLN N N 34 119.261 119.261 118.838 0.423 25789
3621 1 14 . 1 1 34 34 GLN HA H 34 3.595 3.595 4.007 -0.412 25789
3622 1 14 . 1 1 34 34 GLN C C 34 178.745 178.745 178.496 0.249 25789
3623 1 14 . 1 1 34 34 GLN CA C 34 58.880 58.880 58.672 0.208 25789
3624 1 14 . 1 1 34 34 GLN CB C 34 27.349 27.349 28.748 -1.399 25789
3625 1 14 . 1 1 34 34 GLN H H 34 7.177 7.177 7.873 -0.696 25789
3626 1 14 . 1 1 35 35 GLN N N 35 122.346 122.346 118.316 4.030 25789
3627 1 14 . 1 1 35 35 GLN HA H 35 4.008 4.008 4.042 -0.034 25789
3628 1 14 . 1 1 35 35 GLN C C 35 176.948 176.948 177.904 -0.956 25789
3629 1 14 . 1 1 35 35 GLN CA C 35 57.174 57.174 57.665 -0.491 25789
3630 1 14 . 1 1 35 35 GLN CB C 35 29.865 29.865 28.215 1.650 25789
3631 1 14 . 1 1 35 35 GLN H H 35 7.716 7.716 7.767 -0.051 25789
3632 1 14 . 1 1 36 36 GLU N N 36 114.288 114.288 118.260 -3.972 25789
3633 1 14 . 1 1 36 36 GLU HA H 36 3.891 3.891 4.022 -0.131 25789
3634 1 14 . 1 1 36 36 GLU C C 36 179.191 179.191 178.324 0.867 25789
3635 1 14 . 1 1 36 36 GLU CA C 36 58.444 58.444 58.528 -0.084 25789
3636 1 14 . 1 1 36 36 GLU CB C 36 30.860 30.860 29.638 1.222 25789
3637 1 14 . 1 1 36 36 GLU H H 36 8.239 8.239 8.011 0.228 25789
3638 1 14 . 1 1 37 37 GLN N N 37 112.767 112.767 115.634 -2.867 25789
3639 1 14 . 1 1 37 37 GLN HA H 37 4.382 4.382 4.326 0.056 25789
3640 1 14 . 1 1 37 37 GLN C C 37 177.125 177.125 177.001 0.124 25789
3641 1 14 . 1 1 37 37 GLN CA C 37 56.848 56.848 57.377 -0.529 25789
3642 1 14 . 1 1 37 37 GLN CB C 37 30.442 30.442 30.185 0.257 25789
3643 1 14 . 1 1 37 37 GLN H H 37 7.644 7.644 8.030 -0.386 25789
3644 1 14 . 1 1 38 38 CYS N N 38 115.172 115.172 118.476 -3.304 25789
3645 1 14 . 1 1 38 38 CYS HA H 38 5.033 5.033 5.077 -0.044 25789
3646 1 14 . 1 1 38 38 CYS C C 38 174.561 174.561 174.893 -0.332 25789
3647 1 14 . 1 1 38 38 CYS CA C 38 54.813 54.813 58.912 -4.099 25789
3648 1 14 . 1 1 38 38 CYS CB C 38 41.981 41.981 29.898 12.083 25789
3649 1 14 . 1 1 38 38 CYS H H 38 7.704 7.704 7.808 -0.104 25789
3650 1 14 . 1 1 39 39 ASP N N 39 118.112 118.112 120.192 -2.080 25789
3651 1 14 . 1 1 39 39 ASP HA H 39 5.035 5.035 5.120 -0.085 25789
3652 1 14 . 1 1 39 39 ASP CA C 39 51.652 51.652 51.280 0.372 25789
3653 1 14 . 1 1 39 39 ASP CB C 39 41.995 41.995 42.138 -0.143 25789
3654 1 14 . 1 1 39 39 ASP H H 39 7.824 7.824 8.175 -0.351 25789
3655 1 14 . 1 1 40 40 PRO HA H 40 4.682 4.682 4.439 0.243 25789
3656 1 14 . 1 1 40 40 PRO C C 40 177.751 177.751 176.986 0.765 25789
3657 1 14 . 1 1 40 40 PRO CA C 40 63.531 63.531 63.841 -0.310 25789
3658 1 14 . 1 1 40 40 PRO CB C 40 32.479 32.479 32.146 0.333 25789
3659 1 14 . 1 1 41 41 ASN N N 41 114.538 114.538 116.020 -1.482 25789
3660 1 14 . 1 1 41 41 ASN HA H 41 4.710 4.710 4.720 -0.010 25789
3661 1 14 . 1 1 41 41 ASN C C 41 175.877 175.877 175.475 0.402 25789
3662 1 14 . 1 1 41 41 ASN CA C 41 53.533 53.533 53.572 -0.039 25789
3663 1 14 . 1 1 41 41 ASN CB C 41 39.317 39.317 39.459 -0.142 25789
3664 1 14 . 1 1 41 41 ASN H H 41 8.183 8.183 7.840 0.343 25789
3665 1 14 . 1 1 42 42 ILE N N 42 117.609 117.609 116.546 1.063 25789
3666 1 14 . 1 1 42 42 ILE HA H 42 4.188 4.188 4.381 -0.193 25789
3667 1 14 . 1 1 42 42 ILE C C 42 174.947 174.947 174.560 0.387 25789
3668 1 14 . 1 1 42 42 ILE CA C 42 62.863 62.863 60.395 2.468 25789
3669 1 14 . 1 1 42 42 ILE CB C 42 39.653 39.653 39.405 0.248 25789
3670 1 14 . 1 1 42 42 ILE H H 42 7.260 7.260 7.273 -0.013 25789
3671 1 14 . 1 1 43 43 THR N N 43 114.448 114.448 112.569 1.879 25789
3672 1 14 . 1 1 43 43 THR HA H 43 4.814 4.814 4.846 -0.032 25789
3673 1 14 . 1 1 43 43 THR C C 43 173.737 173.737 174.271 -0.534 25789
3674 1 14 . 1 1 43 43 THR CA C 43 60.118 60.118 59.403 0.715 25789
3675 1 14 . 1 1 43 43 THR CB C 43 72.559 72.559 71.251 1.308 25789
3676 1 14 . 1 1 43 43 THR H H 43 8.828 8.828 8.059 0.769 25789
3677 1 14 . 1 1 44 44 ILE N N 44 121.256 121.256 121.329 -0.073 25789
3678 1 14 . 1 1 44 44 ILE HA H 44 3.475 3.475 3.814 -0.339 25789
3679 1 14 . 1 1 44 44 ILE C C 44 176.400 176.400 176.172 0.228 25789
3680 1 14 . 1 1 44 44 ILE CA C 44 62.849 62.849 62.385 0.464 25789
3681 1 14 . 1 1 44 44 ILE CB C 44 37.712 37.712 37.360 0.352 25789
3682 1 14 . 1 1 44 44 ILE H H 44 8.487 8.487 8.390 0.097 25789
3683 1 14 . 1 1 45 45 ALA N N 45 140.640 140.640 132.069 8.571 25789
3684 1 14 . 1 1 45 45 ALA HA H 45 4.210 4.210 4.324 -0.114 25789
3685 1 14 . 1 1 45 45 ALA C C 45 178.725 178.725 177.329 1.396 25789
3686 1 14 . 1 1 45 45 ALA CA C 45 54.537 54.537 53.382 1.155 25789
3687 1 14 . 1 1 45 45 ALA CB C 45 19.216 19.216 20.380 -1.164 25789
3688 1 14 . 1 1 45 45 ALA H H 45 9.195 9.195 8.960 0.235 25789
3689 1 14 . 1 1 46 46 HIS N N 46 106.909 106.909 110.760 -3.851 25789
3690 1 14 . 1 1 46 46 HIS HA H 46 4.608 4.608 4.780 -0.172 25789
3691 1 14 . 1 1 46 46 HIS C C 46 173.062 173.062 173.247 -0.185 25789
3692 1 14 . 1 1 46 46 HIS CA C 46 54.573 54.573 54.895 -0.322 25789
3693 1 14 . 1 1 46 46 HIS CB C 46 29.351 29.351 30.404 -1.053 25789
3694 1 14 . 1 1 46 46 HIS H H 46 7.240 7.240 7.426 -0.186 25789
3695 1 14 . 1 1 47 47 MET N N 47 119.326 119.326 121.174 -1.848 25789
3696 1 14 . 1 1 47 47 MET HA H 47 4.655 4.655 4.170 0.485 25789
3697 1 14 . 1 1 47 47 MET C C 47 179.036 179.036 177.100 1.936 25789
3698 1 14 . 1 1 47 47 MET CA C 47 54.965 54.965 56.972 -2.007 25789
3699 1 14 . 1 1 47 47 MET CB C 47 31.458 31.458 33.206 -1.748 25789
3700 1 14 . 1 1 47 47 MET H H 47 9.092 9.092 8.707 0.385 25789
3701 1 14 . 1 1 48 48 GLY N N 48 114.963 114.963 109.772 5.191 25789
3702 1 14 . 1 1 48 48 GLY C C 48 170.539 170.539 173.001 -2.462 25789
3703 1 14 . 1 1 48 48 GLY CA C 48 44.288 44.288 44.196 0.092 25789
3704 1 14 . 1 1 48 48 GLY H H 48 8.162 8.162 8.605 -0.443 25789
3705 1 14 . 1 1 49 49 GLU N N 49 113.303 113.303 120.054 -6.751 25789
3706 1 14 . 1 1 49 49 GLU HA H 49 3.971 3.971 4.082 -0.111 25789
3707 1 14 . 1 1 49 49 GLU C C 49 178.243 178.243 175.961 2.282 25789
3708 1 14 . 1 1 49 49 GLU CA C 49 56.770 56.770 55.591 1.179 25789
3709 1 14 . 1 1 49 49 GLU CB C 49 30.475 30.475 30.542 -0.067 25789
3710 1 14 . 1 1 49 49 GLU H H 49 8.225 8.225 8.412 -0.187 25789
3711 1 15 . 1 1 2 2 GLU N N 2 120.587 120.587 119.658 0.929 25789
3712 1 15 . 1 1 2 2 GLU HA H 2 4.778 4.778 3.879 0.899 25789
3713 1 15 . 1 1 2 2 GLU CA C 2 56.919 56.919 58.661 -1.742 25789
3714 1 15 . 1 1 2 2 GLU CB C 2 30.334 30.334 28.752 1.582 25789
3715 1 15 . 1 1 2 2 GLU H H 2 8.777 8.777 8.510 0.267 25789
3716 1 15 . 1 1 3 3 ASP N N 3 121.555 121.555 121.455 0.100 25789
3717 1 15 . 1 1 3 3 ASP HA H 3 4.543 4.543 4.917 -0.374 25789
3718 1 15 . 1 1 3 3 ASP H H 3 8.491 8.491 7.848 0.643 25789
3719 1 15 . 1 1 4 4 CYS N N 4 122.792 122.792 120.594 2.198 25789
3720 1 15 . 1 1 4 4 CYS HA H 4 4.587 4.587 4.797 -0.210 25789
3721 1 15 . 1 1 4 4 CYS C C 4 173.506 173.506 172.786 0.720 25789
3722 1 15 . 1 1 4 4 CYS CA C 4 57.905 57.905 57.189 0.716 25789
3723 1 15 . 1 1 4 4 CYS CB C 4 38.220 38.220 30.830 7.390 25789
3724 1 15 . 1 1 4 4 CYS H H 4 8.347 8.347 8.383 -0.036 25789
3725 1 15 . 1 1 5 5 VAL N N 5 130.233 130.233 124.661 5.572 25789
3726 1 15 . 1 1 5 5 VAL HA H 5 4.591 4.591 4.215 0.376 25789
3727 1 15 . 1 1 5 5 VAL C C 5 175.872 175.872 176.021 -0.149 25789
3728 1 15 . 1 1 5 5 VAL CA C 5 61.756 61.756 61.057 0.699 25789
3729 1 15 . 1 1 5 5 VAL CB C 5 34.641 34.641 33.212 1.429 25789
3730 1 15 . 1 1 5 5 VAL H H 5 8.597 8.597 8.187 0.410 25789
3731 1 15 . 1 1 6 6 GLY N N 6 115.595 115.595 117.394 -1.799 25789
3732 1 15 . 1 1 6 6 GLY C C 6 173.454 173.454 172.403 1.051 25789
3733 1 15 . 1 1 6 6 GLY CA C 6 45.527 45.527 45.304 0.223 25789
3734 1 15 . 1 1 6 6 GLY H H 6 8.836 8.836 8.712 0.124 25789
3735 1 15 . 1 1 7 7 ARG N N 7 124.372 124.372 123.953 0.419 25789
3736 1 15 . 1 1 7 7 ARG HA H 7 4.637 4.637 4.720 -0.083 25789
3737 1 15 . 1 1 7 7 ARG C C 7 175.190 175.190 174.375 0.815 25789
3738 1 15 . 1 1 7 7 ARG CA C 7 55.528 55.528 53.993 1.535 25789
3739 1 15 . 1 1 7 7 ARG CB C 7 32.434 32.434 32.514 -0.081 25789
3740 1 15 . 1 1 7 7 ARG H H 7 8.760 8.760 7.817 0.943 25789
3741 1 15 . 1 1 8 8 LYS N N 8 126.364 126.364 122.904 3.460 25789
3742 1 15 . 1 1 8 8 LYS HA H 8 4.435 4.435 4.505 -0.070 25789
3743 1 15 . 1 1 8 8 LYS C C 8 174.455 174.455 175.622 -1.167 25789
3744 1 15 . 1 1 8 8 LYS CA C 8 55.630 55.630 54.279 1.351 25789
3745 1 15 . 1 1 8 8 LYS CB C 8 36.088 36.088 33.849 2.239 25789
3746 1 15 . 1 1 8 8 LYS H H 8 8.497 8.497 8.709 -0.212 25789
3747 1 15 . 1 1 9 9 ALA N N 9 126.059 126.059 125.736 0.323 25789
3748 1 15 . 1 1 9 9 ALA HA H 9 4.462 4.462 4.308 0.154 25789
3749 1 15 . 1 1 9 9 ALA C C 9 176.690 176.690 176.841 -0.151 25789
3750 1 15 . 1 1 9 9 ALA CA C 9 52.255 52.255 52.400 -0.145 25789
3751 1 15 . 1 1 9 9 ALA CB C 9 17.072 17.072 18.984 -1.912 25789
3752 1 15 . 1 1 9 9 ALA H H 9 8.339 8.339 8.389 -0.050 25789
3753 1 15 . 1 1 10 10 CYS N N 10 123.013 123.013 123.325 -0.312 25789
3754 1 15 . 1 1 10 10 CYS HA H 10 5.070 5.070 4.838 0.232 25789
3755 1 15 . 1 1 10 10 CYS C C 10 175.913 175.913 173.669 2.244 25789
3756 1 15 . 1 1 10 10 CYS CA C 10 52.909 52.909 58.517 -5.608 25789
3757 1 15 . 1 1 10 10 CYS CB C 10 41.080 41.080 29.927 11.153 25789
3758 1 15 . 1 1 10 10 CYS H H 10 8.103 8.103 8.648 -0.545 25789
3759 1 15 . 1 1 11 11 THR N N 11 113.789 113.789 119.313 -5.524 25789
3760 1 15 . 1 1 11 11 THR HA H 11 4.510 4.510 4.648 -0.138 25789
3761 1 15 . 1 1 11 11 THR C C 11 174.887 174.887 174.239 0.648 25789
3762 1 15 . 1 1 11 11 THR CA C 11 61.918 61.918 62.734 -0.817 25789
3763 1 15 . 1 1 11 11 THR CB C 11 69.543 69.543 68.135 1.407 25789
3764 1 15 . 1 1 11 11 THR H H 11 8.272 8.272 8.429 -0.157 25789
3765 1 15 . 1 1 12 12 ARG N N 12 120.274 120.274 120.277 -0.003 25789
3766 1 15 . 1 1 12 12 ARG HA H 12 4.451 4.451 4.620 -0.169 25789
3767 1 15 . 1 1 12 12 ARG C C 12 176.188 176.188 176.100 0.088 25789
3768 1 15 . 1 1 12 12 ARG CA C 12 55.853 55.853 56.571 -0.718 25789
3769 1 15 . 1 1 12 12 ARG CB C 12 29.473 29.473 31.816 -2.343 25789
3770 1 15 . 1 1 12 12 ARG H H 12 8.585 8.585 8.621 -0.036 25789
3771 1 15 . 1 1 13 13 GLU N N 13 122.312 122.312 119.635 2.677 25789
3772 1 15 . 1 1 13 13 GLU HA H 13 4.206 4.206 4.388 -0.182 25789
3773 1 15 . 1 1 13 13 GLU C C 13 175.542 175.542 173.662 1.880 25789
3774 1 15 . 1 1 13 13 GLU CA C 13 57.303 57.303 55.693 1.611 25789
3775 1 15 . 1 1 13 13 GLU CB C 13 30.201 30.201 31.984 -1.783 25789
3776 1 15 . 1 1 13 13 GLU H H 13 8.069 8.069 7.998 0.071 25789
3777 1 15 . 1 1 14 14 TRP N N 14 126.929 126.929 126.403 0.526 25789
3778 1 15 . 1 1 14 14 TRP HA H 14 5.125 5.125 5.158 -0.033 25789
3779 1 15 . 1 1 14 14 TRP C C 14 174.853 174.853 174.216 0.637 25789
3780 1 15 . 1 1 14 14 TRP CA C 14 56.388 56.388 55.724 0.664 25789
3781 1 15 . 1 1 14 14 TRP CB C 14 29.804 29.804 30.142 -0.338 25789
3782 1 15 . 1 1 14 14 TRP H H 14 8.823 8.823 8.536 0.287 25789
3783 1 15 . 1 1 15 15 TYR N N 15 129.982 129.982 125.204 4.778 25789
3784 1 15 . 1 1 15 15 TYR HA H 15 4.522 4.522 4.778 -0.256 25789
3785 1 15 . 1 1 15 15 TYR CB C 15 38.301 38.301 39.602 -1.302 25789
3786 1 15 . 1 1 15 15 TYR H H 15 8.949 8.949 7.796 1.153 25789
3787 1 15 . 1 1 16 16 PRO HA H 16 4.094 4.094 4.933 -0.839 25789
3788 1 15 . 1 1 16 16 PRO C C 16 177.191 177.191 175.761 1.430 25789
3789 1 15 . 1 1 16 16 PRO CA C 16 62.523 62.523 61.903 0.620 25789
3790 1 15 . 1 1 16 16 PRO CB C 16 32.836 32.836 32.581 0.255 25789
3791 1 15 . 1 1 17 17 VAL N N 17 114.809 114.809 115.976 -1.167 25789
3792 1 15 . 1 1 17 17 VAL HA H 17 4.184 4.184 4.637 -0.453 25789
3793 1 15 . 1 1 17 17 VAL C C 17 172.678 172.678 173.601 -0.923 25789
3794 1 15 . 1 1 17 17 VAL CA C 17 60.249 60.249 59.008 1.240 25789
3795 1 15 . 1 1 17 17 VAL CB C 17 36.086 36.086 34.618 1.468 25789
3796 1 15 . 1 1 17 17 VAL H H 17 8.355 8.355 8.533 -0.178 25789
3797 1 15 . 1 1 18 18 CYS N N 18 123.493 123.493 119.407 4.086 25789
3798 1 15 . 1 1 18 18 CYS HA H 18 5.217 5.217 5.548 -0.331 25789
3799 1 15 . 1 1 18 18 CYS C C 18 175.720 175.720 175.018 0.702 25789
3800 1 15 . 1 1 18 18 CYS CA C 18 53.874 53.874 56.309 -2.435 25789
3801 1 15 . 1 1 18 18 CYS CB C 18 38.042 38.042 29.735 8.307 25789
3802 1 15 . 1 1 18 18 CYS H H 18 8.245 8.245 8.569 -0.324 25789
3803 1 15 . 1 1 19 19 GLY N N 19 116.182 116.182 113.484 2.698 25789
3804 1 15 . 1 1 19 19 GLY C C 19 176.356 176.356 174.886 1.470 25789
3805 1 15 . 1 1 19 19 GLY CA C 19 45.350 45.350 44.665 0.685 25789
3806 1 15 . 1 1 19 19 GLY H H 19 9.676 9.676 9.512 0.164 25789
3807 1 15 . 1 1 20 20 SER N N 20 119.167 119.167 117.761 1.406 25789
3808 1 15 . 1 1 20 20 SER HA H 20 4.147 4.147 4.274 -0.127 25789
3809 1 15 . 1 1 20 20 SER C C 20 173.922 173.922 175.246 -1.324 25789
3810 1 15 . 1 1 20 20 SER CA C 20 61.110 61.110 60.669 0.441 25789
3811 1 15 . 1 1 20 20 SER CB C 20 62.104 62.104 63.171 -1.067 25789
3812 1 15 . 1 1 20 20 SER H H 20 9.783 9.783 8.827 0.956 25789
3813 1 15 . 1 1 21 21 ASP N N 21 120.973 120.973 118.935 2.038 25789
3814 1 15 . 1 1 21 21 ASP HA H 21 4.512 4.512 4.625 -0.113 25789
3815 1 15 . 1 1 21 21 ASP C C 21 177.137 177.137 176.445 0.692 25789
3816 1 15 . 1 1 21 21 ASP CA C 21 53.514 53.514 54.065 -0.551 25789
3817 1 15 . 1 1 21 21 ASP CB C 21 39.784 39.784 41.082 -1.298 25789
3818 1 15 . 1 1 21 21 ASP H H 21 8.823 8.823 8.015 0.808 25789
3819 1 15 . 1 1 22 22 GLY N N 22 109.625 109.625 107.653 1.972 25789
3820 1 15 . 1 1 22 22 GLY C C 22 173.782 173.782 173.566 0.216 25789
3821 1 15 . 1 1 22 22 GLY CA C 22 45.916 45.916 45.083 0.834 25789
3822 1 15 . 1 1 22 22 GLY H H 22 8.448 8.448 8.410 0.038 25789
3823 1 15 . 1 1 23 23 VAL N N 23 124.643 124.643 119.523 5.120 25789
3824 1 15 . 1 1 23 23 VAL HA H 23 3.850 3.850 4.393 -0.543 25789
3825 1 15 . 1 1 23 23 VAL CA C 23 61.747 61.747 59.780 1.967 25789
3826 1 15 . 1 1 23 23 VAL CB C 23 33.045 33.045 33.919 -0.875 25789
3827 1 15 . 1 1 23 23 VAL H H 23 7.755 7.755 7.637 0.118 25789
3828 1 15 . 1 1 24 24 THR N N 24 124.128 124.128 124.500 -0.372 25789
3829 1 15 . 1 1 24 24 THR HA H 24 4.751 4.751 4.550 0.201 25789
3830 1 15 . 1 1 24 24 THR C C 24 174.674 174.674 173.663 1.011 25789
3831 1 15 . 1 1 24 24 THR CA C 24 62.517 62.517 63.142 -0.626 25789
3832 1 15 . 1 1 24 24 THR CB C 24 69.332 69.332 68.767 0.565 25789
3833 1 15 . 1 1 24 24 THR H H 24 8.204 8.204 8.407 -0.203 25789
3834 1 15 . 1 1 25 25 TYR N N 25 130.525 130.525 128.017 2.508 25789
3835 1 15 . 1 1 25 25 TYR HA H 25 4.580 4.580 4.778 -0.198 25789
3836 1 15 . 1 1 25 25 TYR C C 25 176.958 176.958 176.738 0.220 25789
3837 1 15 . 1 1 25 25 TYR CA C 25 58.112 58.112 57.496 0.616 25789
3838 1 15 . 1 1 25 25 TYR CB C 25 40.957 40.957 40.331 0.626 25789
3839 1 15 . 1 1 25 25 TYR H H 25 9.528 9.528 9.107 0.421 25789
3840 1 15 . 1 1 26 26 SER N N 26 118.275 118.275 118.943 -0.668 25789
3841 1 15 . 1 1 26 26 SER HA H 26 3.688 3.688 3.673 0.015 25789
3842 1 15 . 1 1 26 26 SER C C 26 172.371 172.371 172.639 -0.268 25789
3843 1 15 . 1 1 26 26 SER CA C 26 61.334 61.334 60.810 0.524 25789
3844 1 15 . 1 1 26 26 SER CB C 26 63.624 63.624 63.623 0.001 25789
3845 1 15 . 1 1 26 26 SER H H 26 9.300 9.300 9.520 -0.220 25789
3846 1 15 . 1 1 27 27 ASN N N 27 109.467 109.467 110.286 -0.819 25789
3847 1 15 . 1 1 27 27 ASN HA H 27 5.456 5.456 5.485 -0.029 25789
3848 1 15 . 1 1 27 27 ASN CA C 27 51.882 51.882 51.574 0.308 25789
3849 1 15 . 1 1 27 27 ASN CB C 27 36.669 36.669 38.722 -2.053 25789
3850 1 15 . 1 1 27 27 ASN H H 27 7.341 7.341 7.481 -0.140 25789
3851 1 15 . 1 1 28 28 PRO HA H 28 4.225 4.225 4.170 0.055 25789
3852 1 15 . 1 1 28 28 PRO C C 28 177.600 177.600 178.353 -0.753 25789
3853 1 15 . 1 1 28 28 PRO CA C 28 65.794 65.794 65.834 -0.040 25789
3854 1 15 . 1 1 28 28 PRO CB C 28 32.317 32.317 31.498 0.819 25789
3855 1 15 . 1 1 29 29 CYS N N 29 120.684 120.684 117.329 3.355 25789
3856 1 15 . 1 1 29 29 CYS HA H 29 4.371 4.371 4.073 0.298 25789
3857 1 15 . 1 1 29 29 CYS C C 29 177.390 177.390 176.643 0.747 25789
3858 1 15 . 1 1 29 29 CYS CA C 29 60.240 60.240 62.399 -2.159 25789
3859 1 15 . 1 1 29 29 CYS CB C 29 36.524 36.524 26.280 10.244 25789
3860 1 15 . 1 1 29 29 CYS H H 29 8.275 8.275 8.487 -0.212 25789
3861 1 15 . 1 1 30 30 ASN N N 30 122.591 122.591 119.440 3.151 25789
3862 1 15 . 1 1 30 30 ASN HA H 30 4.515 4.515 4.478 0.037 25789
3863 1 15 . 1 1 30 30 ASN C C 30 178.484 178.484 177.499 0.985 25789
3864 1 15 . 1 1 30 30 ASN CA C 30 57.010 57.010 56.506 0.504 25789
3865 1 15 . 1 1 30 30 ASN CB C 30 39.559 39.559 38.825 0.734 25789
3866 1 15 . 1 1 30 30 ASN H H 30 8.653 8.653 9.155 -0.502 25789
3867 1 15 . 1 1 31 31 PHE N N 31 121.793 121.793 121.063 0.730 25789
3868 1 15 . 1 1 31 31 PHE HA H 31 3.222 3.222 2.828 0.394 25789
3869 1 15 . 1 1 31 31 PHE C C 31 175.893 175.893 177.142 -1.249 25789
3870 1 15 . 1 1 31 31 PHE CA C 31 61.887 61.887 61.017 0.869 25789
3871 1 15 . 1 1 31 31 PHE CB C 31 38.828 38.828 38.898 -0.070 25789
3872 1 15 . 1 1 31 31 PHE H H 31 7.848 7.848 8.529 -0.681 25789
3873 1 15 . 1 1 32 32 SER N N 32 116.875 116.875 115.536 1.339 25789
3874 1 15 . 1 1 32 32 SER HA H 32 3.785 3.785 3.992 -0.207 25789
3875 1 15 . 1 1 32 32 SER C C 32 175.874 175.874 176.510 -0.636 25789
3876 1 15 . 1 1 32 32 SER CA C 32 61.991 61.991 61.746 0.245 25789
3877 1 15 . 1 1 32 32 SER CB C 32 62.697 62.697 63.095 -0.398 25789
3878 1 15 . 1 1 32 32 SER H H 32 8.661 8.661 8.612 0.049 25789
3879 1 15 . 1 1 33 33 ALA N N 33 122.924 122.924 123.401 -0.477 25789
3880 1 15 . 1 1 33 33 ALA HA H 33 3.877 3.877 4.206 -0.329 25789
3881 1 15 . 1 1 33 33 ALA C C 33 178.824 178.824 179.599 -0.775 25789
3882 1 15 . 1 1 33 33 ALA CA C 33 55.115 55.115 55.191 -0.076 25789
3883 1 15 . 1 1 33 33 ALA CB C 33 18.889 18.889 18.127 0.762 25789
3884 1 15 . 1 1 33 33 ALA H H 33 7.977 7.977 8.189 -0.212 25789
3885 1 15 . 1 1 34 34 GLN N N 34 119.261 119.261 119.288 -0.027 25789
3886 1 15 . 1 1 34 34 GLN HA H 34 3.595 3.595 4.045 -0.450 25789
3887 1 15 . 1 1 34 34 GLN C C 34 178.745 178.745 178.587 0.158 25789
3888 1 15 . 1 1 34 34 GLN CA C 34 58.880 58.880 58.588 0.292 25789
3889 1 15 . 1 1 34 34 GLN CB C 34 27.349 27.349 28.530 -1.181 25789
3890 1 15 . 1 1 34 34 GLN H H 34 7.177 7.177 8.145 -0.968 25789
3891 1 15 . 1 1 35 35 GLN N N 35 122.346 122.346 118.780 3.566 25789
3892 1 15 . 1 1 35 35 GLN HA H 35 4.008 4.008 4.158 -0.150 25789
3893 1 15 . 1 1 35 35 GLN C C 35 176.948 176.948 177.968 -1.020 25789
3894 1 15 . 1 1 35 35 GLN CA C 35 57.174 57.174 58.437 -1.263 25789
3895 1 15 . 1 1 35 35 GLN CB C 35 29.865 29.865 28.838 1.027 25789
3896 1 15 . 1 1 35 35 GLN H H 35 7.716 7.716 7.600 0.116 25789
3897 1 15 . 1 1 36 36 GLU N N 36 114.288 114.288 118.278 -3.990 25789
3898 1 15 . 1 1 36 36 GLU HA H 36 3.891 3.891 4.048 -0.157 25789
3899 1 15 . 1 1 36 36 GLU C C 36 179.191 179.191 178.104 1.087 25789
3900 1 15 . 1 1 36 36 GLU CA C 36 58.444 58.444 58.382 0.062 25789
3901 1 15 . 1 1 36 36 GLU CB C 36 30.860 30.860 29.421 1.439 25789
3902 1 15 . 1 1 36 36 GLU H H 36 8.239 8.239 8.228 0.011 25789
3903 1 15 . 1 1 37 37 GLN N N 37 112.767 112.767 117.238 -4.471 25789
3904 1 15 . 1 1 37 37 GLN HA H 37 4.382 4.382 4.421 -0.039 25789
3905 1 15 . 1 1 37 37 GLN C C 37 177.125 177.125 176.375 0.750 25789
3906 1 15 . 1 1 37 37 GLN CA C 37 56.848 56.848 57.439 -0.591 25789
3907 1 15 . 1 1 37 37 GLN CB C 37 30.442 30.442 30.278 0.164 25789
3908 1 15 . 1 1 37 37 GLN H H 37 7.644 7.644 7.911 -0.267 25789
3909 1 15 . 1 1 38 38 CYS N N 38 115.172 115.172 114.023 1.149 25789
3910 1 15 . 1 1 38 38 CYS HA H 38 5.033 5.033 4.965 0.068 25789
3911 1 15 . 1 1 38 38 CYS C C 38 174.561 174.561 174.046 0.515 25789
3912 1 15 . 1 1 38 38 CYS CA C 38 54.813 54.813 58.232 -3.419 25789
3913 1 15 . 1 1 38 38 CYS CB C 38 41.981 41.981 31.128 10.853 25789
3914 1 15 . 1 1 38 38 CYS H H 38 7.704 7.704 7.856 -0.152 25789
3915 1 15 . 1 1 39 39 ASP N N 39 118.112 118.112 120.884 -2.772 25789
3916 1 15 . 1 1 39 39 ASP HA H 39 5.035 5.035 5.123 -0.088 25789
3917 1 15 . 1 1 39 39 ASP CA C 39 51.652 51.652 52.487 -0.835 25789
3918 1 15 . 1 1 39 39 ASP CB C 39 41.995 41.995 41.363 0.632 25789
3919 1 15 . 1 1 39 39 ASP H H 39 7.824 7.824 8.037 -0.213 25789
3920 1 15 . 1 1 40 40 PRO HA H 40 4.682 4.682 4.357 0.325 25789
3921 1 15 . 1 1 40 40 PRO C C 40 177.751 177.751 176.620 1.131 25789
3922 1 15 . 1 1 40 40 PRO CA C 40 63.531 63.531 64.227 -0.696 25789
3923 1 15 . 1 1 40 40 PRO CB C 40 32.479 32.479 31.990 0.489 25789
3924 1 15 . 1 1 41 41 ASN N N 41 114.538 114.538 116.096 -1.558 25789
3925 1 15 . 1 1 41 41 ASN HA H 41 4.710 4.710 4.736 -0.026 25789
3926 1 15 . 1 1 41 41 ASN C C 41 175.877 175.877 175.099 0.778 25789
3927 1 15 . 1 1 41 41 ASN CA C 41 53.533 53.533 52.974 0.560 25789
3928 1 15 . 1 1 41 41 ASN CB C 41 39.317 39.317 38.441 0.876 25789
3929 1 15 . 1 1 41 41 ASN H H 41 8.183 8.183 8.084 0.099 25789
3930 1 15 . 1 1 42 42 ILE N N 42 117.609 117.609 116.458 1.151 25789
3931 1 15 . 1 1 42 42 ILE HA H 42 4.188 4.188 4.517 -0.329 25789
3932 1 15 . 1 1 42 42 ILE C C 42 174.947 174.947 174.255 0.692 25789
3933 1 15 . 1 1 42 42 ILE CA C 42 62.863 62.863 59.901 2.962 25789
3934 1 15 . 1 1 42 42 ILE CB C 42 39.653 39.653 40.217 -0.564 25789
3935 1 15 . 1 1 42 42 ILE H H 42 7.260 7.260 7.225 0.035 25789
3936 1 15 . 1 1 43 43 THR N N 43 114.448 114.448 111.608 2.840 25789
3937 1 15 . 1 1 43 43 THR HA H 43 4.814 4.814 4.813 0.001 25789
3938 1 15 . 1 1 43 43 THR C C 43 173.737 173.737 174.413 -0.676 25789
3939 1 15 . 1 1 43 43 THR CA C 43 60.118 60.118 59.276 0.842 25789
3940 1 15 . 1 1 43 43 THR CB C 43 72.559 72.559 71.766 0.793 25789
3941 1 15 . 1 1 43 43 THR H H 43 8.828 8.828 8.041 0.787 25789
3942 1 15 . 1 1 44 44 ILE N N 44 121.256 121.256 122.038 -0.782 25789
3943 1 15 . 1 1 44 44 ILE HA H 44 3.475 3.475 4.040 -0.565 25789
3944 1 15 . 1 1 44 44 ILE C C 44 176.400 176.400 176.113 0.287 25789
3945 1 15 . 1 1 44 44 ILE CA C 44 62.849 62.849 62.634 0.215 25789
3946 1 15 . 1 1 44 44 ILE CB C 44 37.712 37.712 36.918 0.794 25789
3947 1 15 . 1 1 44 44 ILE H H 44 8.487 8.487 8.614 -0.127 25789
3948 1 15 . 1 1 45 45 ALA N N 45 140.640 140.640 132.121 8.519 25789
3949 1 15 . 1 1 45 45 ALA HA H 45 4.210 4.210 4.351 -0.141 25789
3950 1 15 . 1 1 45 45 ALA C C 45 178.725 178.725 177.235 1.490 25789
3951 1 15 . 1 1 45 45 ALA CA C 45 54.537 54.537 53.380 1.157 25789
3952 1 15 . 1 1 45 45 ALA CB C 45 19.216 19.216 20.375 -1.159 25789
3953 1 15 . 1 1 45 45 ALA H H 45 9.195 9.195 9.021 0.174 25789
3954 1 15 . 1 1 46 46 HIS N N 46 106.909 106.909 110.023 -3.114 25789
3955 1 15 . 1 1 46 46 HIS HA H 46 4.608 4.608 4.725 -0.117 25789
3956 1 15 . 1 1 46 46 HIS C C 46 173.062 173.062 173.148 -0.086 25789
3957 1 15 . 1 1 46 46 HIS CA C 46 54.573 54.573 54.829 -0.256 25789
3958 1 15 . 1 1 46 46 HIS CB C 46 29.351 29.351 29.978 -0.627 25789
3959 1 15 . 1 1 46 46 HIS H H 46 7.240 7.240 7.455 -0.215 25789
3960 1 15 . 1 1 47 47 MET N N 47 119.326 119.326 120.299 -0.973 25789
3961 1 15 . 1 1 47 47 MET HA H 47 4.655 4.655 4.189 0.466 25789
3962 1 15 . 1 1 47 47 MET C C 47 179.036 179.036 177.513 1.523 25789
3963 1 15 . 1 1 47 47 MET CA C 47 54.965 54.965 55.105 -0.140 25789
3964 1 15 . 1 1 47 47 MET CB C 47 31.458 31.458 32.135 -0.677 25789
3965 1 15 . 1 1 47 47 MET H H 47 9.092 9.092 8.541 0.551 25789
3966 1 15 . 1 1 48 48 GLY N N 48 114.963 114.963 109.879 5.084 25789
3967 1 15 . 1 1 48 48 GLY C C 48 170.539 170.539 172.921 -2.382 25789
3968 1 15 . 1 1 48 48 GLY CA C 48 44.288 44.288 44.295 -0.007 25789
3969 1 15 . 1 1 48 48 GLY H H 48 8.162 8.162 8.471 -0.309 25789
3970 1 15 . 1 1 49 49 GLU N N 49 113.303 113.303 119.826 -6.523 25789
3971 1 15 . 1 1 49 49 GLU HA H 49 3.971 3.971 4.158 -0.187 25789
3972 1 15 . 1 1 49 49 GLU C C 49 178.243 178.243 176.433 1.810 25789
3973 1 15 . 1 1 49 49 GLU CA C 49 56.770 56.770 55.510 1.260 25789
3974 1 15 . 1 1 49 49 GLU CB C 49 30.475 30.475 30.271 0.204 25789
3975 1 15 . 1 1 49 49 GLU H H 49 8.225 8.225 8.369 -0.144 25789
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 45 3.094 -0.905 2.992 25789
2 1 1 "Average Difference" HA 51 0.358 0.046 0.358 25789
3 1 1 "Average Difference" C 42 1.064 -0.294 1.035 25789
4 1 1 "Average Difference" CA 46 1.438 0.070 1.452 25789
5 1 1 "Average Difference" CB 43 3.637 -1.148 3.492 25789
6 1 1 "Average Difference" HN 45 0.387 -0.084 0.382 25789
7 1 2 "Average Difference" N 45 2.952 -0.584 2.926 25789
8 1 2 "Average Difference" HA 51 0.317 0.055 0.315 25789
9 1 2 "Average Difference" C 42 1.112 -0.323 1.077 25789
10 1 2 "Average Difference" CA 46 1.417 0.018 1.433 25789
11 1 2 "Average Difference" CB 43 3.708 -1.186 3.555 25789
12 1 2 "Average Difference" HN 45 0.372 -0.028 0.375 25789
13 1 3 "Average Difference" N 45 3.059 -0.725 3.006 25789
14 1 3 "Average Difference" HA 51 0.308 0.066 0.304 25789
15 1 3 "Average Difference" C 42 1.083 -0.347 1.039 25789
16 1 3 "Average Difference" CA 46 1.424 -0.044 1.439 25789
17 1 3 "Average Difference" CB 43 3.554 -1.093 3.421 25789
18 1 3 "Average Difference" HN 45 0.384 -0.054 0.385 25789
19 1 4 "Average Difference" N 45 3.256 -0.753 3.203 25789
20 1 4 "Average Difference" HA 51 0.326 0.056 0.324 25789
21 1 4 "Average Difference" C 42 1.015 -0.294 0.983 25789
22 1 4 "Average Difference" CA 46 1.351 -0.006 1.366 25789
23 1 4 "Average Difference" CB 43 3.610 -1.129 3.470 25789
24 1 4 "Average Difference" HN 45 0.409 -0.098 0.401 25789
25 1 5 "Average Difference" N 45 3.006 -0.831 2.921 25789
26 1 5 "Average Difference" HA 51 0.302 0.061 0.298 25789
27 1 5 "Average Difference" C 42 1.134 -0.291 1.110 25789
28 1 5 "Average Difference" CA 46 1.467 0.041 1.483 25789
29 1 5 "Average Difference" CB 43 3.672 -1.133 3.534 25789
30 1 5 "Average Difference" HN 45 0.425 -0.089 0.421 25789
31 1 6 "Average Difference" N 45 3.018 -0.611 2.989 25789
32 1 6 "Average Difference" HA 51 0.318 0.045 0.317 25789
33 1 6 "Average Difference" C 42 1.022 -0.286 0.993 25789
34 1 6 "Average Difference" CA 46 1.384 -0.041 1.399 25789
35 1 6 "Average Difference" CB 43 3.654 -1.140 3.512 25789
36 1 6 "Average Difference" HN 45 0.417 -0.073 0.416 25789
37 1 7 "Average Difference" N 45 3.020 -0.943 2.901 25789
38 1 7 "Average Difference" HA 51 0.317 0.080 0.310 25789
39 1 7 "Average Difference" C 42 0.991 -0.285 0.961 25789
40 1 7 "Average Difference" CA 46 1.382 -0.014 1.397 25789
41 1 7 "Average Difference" CB 43 3.526 -1.037 3.410 25789
42 1 7 "Average Difference" HN 45 0.393 -0.074 0.390 25789
43 1 8 "Average Difference" N 45 3.044 -0.750 2.983 25789
44 1 8 "Average Difference" HA 51 0.317 0.050 0.316 25789
45 1 8 "Average Difference" C 42 1.024 -0.314 0.987 25789
46 1 8 "Average Difference" CA 46 1.408 -0.015 1.423 25789
47 1 8 "Average Difference" CB 43 3.603 -1.258 3.417 25789
48 1 8 "Average Difference" HN 45 0.377 -0.091 0.370 25789
49 1 9 "Average Difference" N 45 2.895 -1.006 2.745 25789
50 1 9 "Average Difference" HA 51 0.314 0.061 0.311 25789
51 1 9 "Average Difference" C 42 1.071 -0.349 1.025 25789
52 1 9 "Average Difference" CA 46 1.434 -0.000 1.449 25789
53 1 9 "Average Difference" CB 43 3.499 -1.053 3.376 25789
54 1 9 "Average Difference" HN 45 0.411 -0.061 0.411 25789
55 1 10 "Average Difference" N 45 3.265 -0.896 3.175 25789
56 1 10 "Average Difference" HA 51 0.302 0.059 0.300 25789
57 1 10 "Average Difference" C 42 1.005 -0.259 0.983 25789
58 1 10 "Average Difference" CA 46 1.399 -0.032 1.414 25789
59 1 10 "Average Difference" CB 43 3.674 -1.052 3.562 25789
60 1 10 "Average Difference" HN 45 0.362 -0.080 0.357 25789
61 1 11 "Average Difference" N 45 3.053 -0.661 3.014 25789
62 1 11 "Average Difference" HA 51 0.313 0.023 0.316 25789
63 1 11 "Average Difference" C 42 1.038 -0.386 0.976 25789
64 1 11 "Average Difference" CA 46 1.389 0.078 1.402 25789
65 1 11 "Average Difference" CB 43 3.601 -1.162 3.448 25789
66 1 11 "Average Difference" HN 45 0.380 -0.049 0.381 25789
67 1 12 "Average Difference" N 45 3.155 -0.774 3.093 25789
68 1 12 "Average Difference" HA 51 0.313 0.053 0.312 25789
69 1 12 "Average Difference" C 42 1.028 -0.316 0.990 25789
70 1 12 "Average Difference" CA 46 1.345 0.018 1.360 25789
71 1 12 "Average Difference" CB 43 3.610 -1.156 3.460 25789
72 1 12 "Average Difference" HN 45 0.421 -0.071 0.420 25789
73 1 13 "Average Difference" N 45 3.139 -0.658 3.104 25789
74 1 13 "Average Difference" HA 51 0.293 0.025 0.295 25789
75 1 13 "Average Difference" C 42 0.994 -0.322 0.951 25789
76 1 13 "Average Difference" CA 46 1.305 -0.036 1.319 25789
77 1 13 "Average Difference" CB 43 3.732 -1.169 3.587 25789
78 1 13 "Average Difference" HN 45 0.383 -0.125 0.366 25789
79 1 14 "Average Difference" N 45 3.495 -0.861 3.425 25789
80 1 14 "Average Difference" HA 51 0.305 0.064 0.301 25789
81 1 14 "Average Difference" C 42 0.998 -0.221 0.986 25789
82 1 14 "Average Difference" CA 46 1.321 -0.042 1.335 25789
83 1 14 "Average Difference" CB 43 3.650 -1.043 3.539 25789
84 1 14 "Average Difference" HN 45 0.411 -0.082 0.407 25789
85 1 15 "Average Difference" N 45 3.083 -0.808 3.009 25789
86 1 15 "Average Difference" HA 51 0.331 0.057 0.330 25789
87 1 15 "Average Difference" C 42 1.049 -0.339 1.005 25789
88 1 15 "Average Difference" CA 46 1.414 -0.019 1.430 25789
89 1 15 "Average Difference" CB 43 3.474 -1.129 3.324 25789
90 1 15 "Average Difference" HN 45 0.433 -0.047 0.435 25789
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 25789
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 GLU N N 2 120.587 120.587 119.418 1.169 25789
2 1 . 1 1 2 2 GLU HA H 2 4.778 4.778 4.312 0.466 25789
3 1 . 1 1 2 2 GLU CA C 2 56.919 56.919 57.592 -0.673 25789
4 1 . 1 1 2 2 GLU CB C 2 30.334 30.334 30.201 0.133 25789
5 1 . 1 1 2 2 GLU H H 2 8.777 8.777 8.537 0.240 25789
6 1 . 1 1 3 3 ASP N N 3 121.555 121.555 120.689 0.866 25789
7 1 . 1 1 3 3 ASP HA H 3 4.543 4.543 4.864 -0.321 25789
8 1 . 1 1 3 3 ASP H H 3 8.491 8.491 8.138 0.353 25789
9 1 . 1 1 4 4 CYS N N 4 122.792 122.792 120.601 2.191 25789
10 1 . 1 1 4 4 CYS HA H 4 4.587 4.587 4.767 -0.180 25789
11 1 . 1 1 4 4 CYS C C 4 173.506 173.506 173.148 0.358 25789
12 1 . 1 1 4 4 CYS CA C 4 57.905 57.905 57.413 0.492 25789
13 1 . 1 1 4 4 CYS CB C 4 38.220 38.220 29.809 8.411 25789
14 1 . 1 1 4 4 CYS H H 4 8.347 8.347 8.407 -0.060 25789
15 1 . 1 1 5 5 VAL N N 5 130.233 130.233 124.249 5.984 25789
16 1 . 1 1 5 5 VAL HA H 5 4.591 4.591 4.325 0.266 25789
17 1 . 1 1 5 5 VAL C C 5 175.872 175.872 175.863 0.009 25789
18 1 . 1 1 5 5 VAL CA C 5 61.756 61.756 61.677 0.079 25789
19 1 . 1 1 5 5 VAL CB C 5 34.641 34.641 33.330 1.311 25789
20 1 . 1 1 5 5 VAL H H 5 8.597 8.597 8.284 0.313 25789
21 1 . 1 1 6 6 GLY N N 6 115.595 115.595 115.758 -0.163 25789
22 1 . 1 1 6 6 GLY C C 6 173.454 173.454 172.683 0.771 25789
23 1 . 1 1 6 6 GLY CA C 6 45.527 45.527 44.820 0.707 25789
24 1 . 1 1 6 6 GLY H H 6 8.836 8.836 8.467 0.369 25789
25 1 . 1 1 7 7 ARG N N 7 124.372 124.372 123.133 1.239 25789
26 1 . 1 1 7 7 ARG HA H 7 4.637 4.637 4.765 -0.128 25789
27 1 . 1 1 7 7 ARG C C 7 175.190 175.190 174.713 0.477 25789
28 1 . 1 1 7 7 ARG CA C 7 55.528 55.528 55.111 0.418 25789
29 1 . 1 1 7 7 ARG CB C 7 32.434 32.434 32.343 0.091 25789
30 1 . 1 1 7 7 ARG H H 7 8.760 8.760 8.302 0.458 25789
31 1 . 1 1 8 8 LYS N N 8 126.364 126.364 124.384 1.980 25789
32 1 . 1 1 8 8 LYS HA H 8 4.435 4.435 4.467 -0.032 25789
33 1 . 1 1 8 8 LYS C C 8 174.455 174.455 175.575 -1.120 25789
34 1 . 1 1 8 8 LYS CA C 8 55.630 55.630 54.656 0.974 25789
35 1 . 1 1 8 8 LYS CB C 8 36.088 36.088 33.808 2.280 25789
36 1 . 1 1 8 8 LYS H H 8 8.497 8.497 8.716 -0.219 25789
37 1 . 1 1 9 9 ALA N N 9 126.059 126.059 126.481 -0.422 25789
38 1 . 1 1 9 9 ALA HA H 9 4.462 4.462 4.361 0.101 25789
39 1 . 1 1 9 9 ALA C C 9 176.690 176.690 176.836 -0.146 25789
40 1 . 1 1 9 9 ALA CA C 9 52.255 52.255 52.207 0.048 25789
41 1 . 1 1 9 9 ALA CB C 9 17.072 17.072 18.995 -1.923 25789
42 1 . 1 1 9 9 ALA H H 9 8.339 8.339 8.392 -0.053 25789
43 1 . 1 1 10 10 CYS N N 10 123.013 123.013 123.336 -0.323 25789
44 1 . 1 1 10 10 CYS HA H 10 5.070 5.070 4.802 0.268 25789
45 1 . 1 1 10 10 CYS C C 10 175.913 175.913 173.617 2.296 25789
46 1 . 1 1 10 10 CYS CA C 10 52.909 52.909 58.563 -5.654 25789
47 1 . 1 1 10 10 CYS CB C 10 41.080 41.080 30.106 10.974 25789
48 1 . 1 1 10 10 CYS H H 10 8.103 8.103 8.599 -0.496 25789
49 1 . 1 1 11 11 THR N N 11 113.789 113.789 118.116 -4.327 25789
50 1 . 1 1 11 11 THR HA H 11 4.510 4.510 4.649 -0.139 25789
51 1 . 1 1 11 11 THR C C 11 174.887 174.887 174.322 0.565 25789
52 1 . 1 1 11 11 THR CA C 11 61.918 61.918 62.494 -0.576 25789
53 1 . 1 1 11 11 THR CB C 11 69.543 69.543 68.766 0.777 25789
54 1 . 1 1 11 11 THR H H 11 8.272 8.272 8.382 -0.110 25789
55 1 . 1 1 12 12 ARG N N 12 120.274 120.274 120.914 -0.640 25789
56 1 . 1 1 12 12 ARG HA H 12 4.451 4.451 4.520 -0.069 25789
57 1 . 1 1 12 12 ARG C C 12 176.188 176.188 175.944 0.244 25789
58 1 . 1 1 12 12 ARG CA C 12 55.853 55.853 56.691 -0.838 25789
59 1 . 1 1 12 12 ARG CB C 12 29.473 29.473 31.394 -1.921 25789
60 1 . 1 1 12 12 ARG H H 12 8.585 8.585 8.628 -0.043 25789
61 1 . 1 1 13 13 GLU N N 13 122.312 122.312 118.571 3.741 25789
62 1 . 1 1 13 13 GLU HA H 13 4.206 4.206 4.396 -0.190 25789
63 1 . 1 1 13 13 GLU C C 13 175.542 175.542 174.124 1.418 25789
64 1 . 1 1 13 13 GLU CA C 13 57.303 57.303 55.549 1.754 25789
65 1 . 1 1 13 13 GLU CB C 13 30.201 30.201 31.879 -1.678 25789
66 1 . 1 1 13 13 GLU H H 13 8.069 8.069 7.882 0.187 25789
67 1 . 1 1 14 14 TRP N N 14 126.929 126.929 127.027 -0.098 25789
68 1 . 1 1 14 14 TRP HA H 14 5.125 5.125 5.018 0.107 25789
69 1 . 1 1 14 14 TRP C C 14 174.853 174.853 174.392 0.461 25789
70 1 . 1 1 14 14 TRP CA C 14 56.388 56.388 55.834 0.554 25789
71 1 . 1 1 14 14 TRP CB C 14 29.804 29.804 29.943 -0.139 25789
72 1 . 1 1 14 14 TRP H H 14 8.823 8.823 8.687 0.136 25789
73 1 . 1 1 15 15 TYR N N 15 129.982 129.982 125.651 4.331 25789
74 1 . 1 1 15 15 TYR HA H 15 4.522 4.522 4.783 -0.261 25789
75 1 . 1 1 15 15 TYR CB C 15 38.301 38.301 39.664 -1.363 25789
76 1 . 1 1 15 15 TYR H H 15 8.949 8.949 7.889 1.060 25789
77 1 . 1 1 16 16 PRO HA H 16 4.094 4.094 4.845 -0.751 25789
78 1 . 1 1 16 16 PRO C C 16 177.191 177.191 175.924 1.267 25789
79 1 . 1 1 16 16 PRO CA C 16 62.523 62.523 61.858 0.665 25789
80 1 . 1 1 16 16 PRO CB C 16 32.836 32.836 32.461 0.375 25789
81 1 . 1 1 17 17 VAL N N 17 114.809 114.809 115.683 -0.874 25789
82 1 . 1 1 17 17 VAL HA H 17 4.184 4.184 4.773 -0.589 25789
83 1 . 1 1 17 17 VAL C C 17 172.678 172.678 173.709 -1.031 25789
84 1 . 1 1 17 17 VAL CA C 17 60.249 60.249 58.965 1.284 25789
85 1 . 1 1 17 17 VAL CB C 17 36.086 36.086 35.198 0.888 25789
86 1 . 1 1 17 17 VAL H H 17 8.355 8.355 8.630 -0.275 25789
87 1 . 1 1 18 18 CYS N N 18 123.493 123.493 119.629 3.864 25789
88 1 . 1 1 18 18 CYS HA H 18 5.217 5.217 5.432 -0.215 25789
89 1 . 1 1 18 18 CYS C C 18 175.720 175.720 175.086 0.634 25789
90 1 . 1 1 18 18 CYS CA C 18 53.874 53.874 56.311 -2.437 25789
91 1 . 1 1 18 18 CYS CB C 18 38.042 38.042 29.402 8.640 25789
92 1 . 1 1 18 18 CYS H H 18 8.245 8.245 8.419 -0.174 25789
93 1 . 1 1 19 19 GLY N N 19 116.182 116.182 113.590 2.592 25789
94 1 . 1 1 19 19 GLY C C 19 176.356 176.356 174.990 1.366 25789
95 1 . 1 1 19 19 GLY CA C 19 45.350 45.350 44.712 0.638 25789
96 1 . 1 1 19 19 GLY H H 19 9.676 9.676 9.383 0.293 25789
97 1 . 1 1 20 20 SER N N 20 119.167 119.167 118.303 0.864 25789
98 1 . 1 1 20 20 SER HA H 20 4.147 4.147 4.256 -0.109 25789
99 1 . 1 1 20 20 SER C C 20 173.922 173.922 175.189 -1.267 25789
100 1 . 1 1 20 20 SER CA C 20 61.110 61.110 60.849 0.261 25789
101 1 . 1 1 20 20 SER CB C 20 62.104 62.104 63.110 -1.006 25789
102 1 . 1 1 20 20 SER H H 20 9.783 9.783 8.782 1.001 25789
103 1 . 1 1 21 21 ASP N N 21 120.973 120.973 119.015 1.958 25789
104 1 . 1 1 21 21 ASP HA H 21 4.512 4.512 4.626 -0.114 25789
105 1 . 1 1 21 21 ASP C C 21 177.137 177.137 176.647 0.490 25789
106 1 . 1 1 21 21 ASP CA C 21 53.514 53.514 54.032 -0.518 25789
107 1 . 1 1 21 21 ASP CB C 21 39.784 39.784 41.002 -1.218 25789
108 1 . 1 1 21 21 ASP H H 21 8.823 8.823 7.979 0.844 25789
109 1 . 1 1 22 22 GLY N N 22 109.625 109.625 107.802 1.823 25789
110 1 . 1 1 22 22 GLY C C 22 173.782 173.782 173.607 0.175 25789
111 1 . 1 1 22 22 GLY CA C 22 45.916 45.916 45.114 0.802 25789
112 1 . 1 1 22 22 GLY H H 22 8.448 8.448 8.395 0.053 25789
113 1 . 1 1 23 23 VAL N N 23 124.643 124.643 119.735 4.908 25789
114 1 . 1 1 23 23 VAL HA H 23 3.850 3.850 4.374 -0.524 25789
115 1 . 1 1 23 23 VAL CA C 23 61.747 61.747 59.698 2.049 25789
116 1 . 1 1 23 23 VAL CB C 23 33.045 33.045 34.238 -1.193 25789
117 1 . 1 1 23 23 VAL H H 23 7.755 7.755 7.517 0.238 25789
118 1 . 1 1 24 24 THR N N 24 124.128 124.128 124.949 -0.821 25789
119 1 . 1 1 24 24 THR HA H 24 4.751 4.751 4.433 0.318 25789
120 1 . 1 1 24 24 THR C C 24 174.674 174.674 173.579 1.095 25789
121 1 . 1 1 24 24 THR CA C 24 62.517 62.517 63.053 -0.536 25789
122 1 . 1 1 24 24 THR CB C 24 69.332 69.332 68.876 0.456 25789
123 1 . 1 1 24 24 THR H H 24 8.204 8.204 8.322 -0.118 25789
124 1 . 1 1 25 25 TYR N N 25 130.525 130.525 127.936 2.589 25789
125 1 . 1 1 25 25 TYR HA H 25 4.580 4.580 4.752 -0.172 25789
126 1 . 1 1 25 25 TYR C C 25 176.958 176.958 176.382 0.576 25789
127 1 . 1 1 25 25 TYR CA C 25 58.112 58.112 56.960 1.152 25789
128 1 . 1 1 25 25 TYR CB C 25 40.957 40.957 40.275 0.682 25789
129 1 . 1 1 25 25 TYR H H 25 9.528 9.528 9.027 0.501 25789
130 1 . 1 1 26 26 SER N N 26 118.275 118.275 118.665 -0.390 25789
131 1 . 1 1 26 26 SER HA H 26 3.688 3.688 3.628 0.060 25789
132 1 . 1 1 26 26 SER C C 26 172.371 172.371 172.777 -0.406 25789
133 1 . 1 1 26 26 SER CA C 26 61.334 61.334 60.978 0.356 25789
134 1 . 1 1 26 26 SER CB C 26 63.624 63.624 63.601 0.023 25789
135 1 . 1 1 26 26 SER H H 26 9.300 9.300 9.266 0.034 25789
136 1 . 1 1 27 27 ASN N N 27 109.467 109.467 110.807 -1.340 25789
137 1 . 1 1 27 27 ASN HA H 27 5.456 5.456 5.482 -0.026 25789
138 1 . 1 1 27 27 ASN CA C 27 51.882 51.882 51.839 0.043 25789
139 1 . 1 1 27 27 ASN CB C 27 36.669 36.669 38.252 -1.583 25789
140 1 . 1 1 27 27 ASN H H 27 7.341 7.341 7.389 -0.048 25789
141 1 . 1 1 28 28 PRO HA H 28 4.225 4.225 4.162 0.063 25789
142 1 . 1 1 28 28 PRO C C 28 177.600 177.600 178.302 -0.702 25789
143 1 . 1 1 28 28 PRO CA C 28 65.794 65.794 66.015 -0.221 25789
144 1 . 1 1 28 28 PRO CB C 28 32.317 32.317 31.544 0.773 25789
145 1 . 1 1 29 29 CYS N N 29 120.684 120.684 115.324 5.360 25789
146 1 . 1 1 29 29 CYS HA H 29 4.371 4.371 4.155 0.216 25789
147 1 . 1 1 29 29 CYS C C 29 177.390 177.390 176.830 0.560 25789
148 1 . 1 1 29 29 CYS CA C 29 60.240 60.240 61.739 -1.499 25789
149 1 . 1 1 29 29 CYS CB C 29 36.524 36.524 26.207 10.317 25789
150 1 . 1 1 29 29 CYS H H 29 8.275 8.275 8.443 -0.168 25789
151 1 . 1 1 30 30 ASN N N 30 122.591 122.591 119.874 2.717 25789
152 1 . 1 1 30 30 ASN HA H 30 4.515 4.515 4.459 0.056 25789
153 1 . 1 1 30 30 ASN C C 30 178.484 178.484 177.208 1.276 25789
154 1 . 1 1 30 30 ASN CA C 30 57.010 57.010 56.461 0.549 25789
155 1 . 1 1 30 30 ASN CB C 30 39.559 39.559 38.788 0.771 25789
156 1 . 1 1 30 30 ASN H H 30 8.653 8.653 8.648 0.005 25789
157 1 . 1 1 31 31 PHE N N 31 121.793 121.793 120.602 1.191 25789
158 1 . 1 1 31 31 PHE HA H 31 3.222 3.222 3.000 0.222 25789
159 1 . 1 1 31 31 PHE C C 31 175.893 175.893 176.957 -1.064 25789
160 1 . 1 1 31 31 PHE CA C 31 61.887 61.887 60.922 0.965 25789
161 1 . 1 1 31 31 PHE CB C 31 38.828 38.828 38.977 -0.149 25789
162 1 . 1 1 31 31 PHE H H 31 7.848 7.848 8.055 -0.207 25789
163 1 . 1 1 32 32 SER N N 32 116.875 116.875 115.662 1.213 25789
164 1 . 1 1 32 32 SER HA H 32 3.785 3.785 3.951 -0.166 25789
165 1 . 1 1 32 32 SER C C 32 175.874 175.874 176.528 -0.654 25789
166 1 . 1 1 32 32 SER CA C 32 61.991 61.991 61.896 0.095 25789
167 1 . 1 1 32 32 SER CB C 32 62.697 62.697 63.027 -0.330 25789
168 1 . 1 1 32 32 SER H H 32 8.661 8.661 8.723 -0.062 25789
169 1 . 1 1 33 33 ALA N N 33 122.924 122.924 123.549 -0.625 25789
170 1 . 1 1 33 33 ALA HA H 33 3.877 3.877 4.221 -0.344 25789
171 1 . 1 1 33 33 ALA C C 33 178.824 178.824 179.434 -0.610 25789
172 1 . 1 1 33 33 ALA CA C 33 55.115 55.115 55.021 0.094 25789
173 1 . 1 1 33 33 ALA CB C 33 18.889 18.889 18.146 0.743 25789
174 1 . 1 1 33 33 ALA H H 33 7.977 7.977 8.203 -0.226 25789
175 1 . 1 1 34 34 GLN N N 34 119.261 119.261 118.833 0.428 25789
176 1 . 1 1 34 34 GLN HA H 34 3.595 3.595 3.997 -0.402 25789
177 1 . 1 1 34 34 GLN C C 34 178.745 178.745 178.430 0.315 25789
178 1 . 1 1 34 34 GLN CA C 34 58.880 58.880 58.504 0.376 25789
179 1 . 1 1 34 34 GLN CB C 34 27.349 27.349 28.486 -1.137 25789
180 1 . 1 1 34 34 GLN H H 34 7.177 7.177 7.955 -0.778 25789
181 1 . 1 1 35 35 GLN N N 35 122.346 122.346 117.881 4.465 25789
182 1 . 1 1 35 35 GLN HA H 35 4.008 4.008 4.034 -0.026 25789
183 1 . 1 1 35 35 GLN C C 35 176.948 176.948 177.775 -0.827 25789
184 1 . 1 1 35 35 GLN CA C 35 57.174 57.174 57.900 -0.726 25789
185 1 . 1 1 35 35 GLN CB C 35 29.865 29.865 28.430 1.435 25789
186 1 . 1 1 35 35 GLN H H 35 7.716 7.716 7.714 0.002 25789
187 1 . 1 1 36 36 GLU N N 36 114.288 114.288 117.523 -3.235 25789
188 1 . 1 1 36 36 GLU HA H 36 3.891 3.891 4.028 -0.137 25789
189 1 . 1 1 36 36 GLU C C 36 179.191 179.191 178.158 1.033 25789
190 1 . 1 1 36 36 GLU CA C 36 58.444 58.444 58.371 0.073 25789
191 1 . 1 1 36 36 GLU CB C 36 30.860 30.860 29.392 1.468 25789
192 1 . 1 1 36 36 GLU H H 36 8.239 8.239 8.103 0.136 25789
193 1 . 1 1 37 37 GLN N N 37 112.767 112.767 116.562 -3.795 25789
194 1 . 1 1 37 37 GLN HA H 37 4.382 4.382 4.375 0.007 25789
195 1 . 1 1 37 37 GLN C C 37 177.125 177.125 176.453 0.672 25789
196 1 . 1 1 37 37 GLN CA C 37 56.848 56.848 57.711 -0.863 25789
197 1 . 1 1 37 37 GLN CB C 37 30.442 30.442 30.119 0.323 25789
198 1 . 1 1 37 37 GLN H H 37 7.644 7.644 7.816 -0.172 25789
199 1 . 1 1 38 38 CYS N N 38 115.172 115.172 115.459 -0.287 25789
200 1 . 1 1 38 38 CYS HA H 38 5.033 5.033 4.903 0.130 25789
201 1 . 1 1 38 38 CYS C C 38 174.561 174.561 174.368 0.193 25789
202 1 . 1 1 38 38 CYS CA C 38 54.813 54.813 58.616 -3.803 25789
203 1 . 1 1 38 38 CYS CB C 38 41.981 41.981 30.008 11.972 25789
204 1 . 1 1 38 38 CYS H H 38 7.704 7.704 7.956 -0.252 25789
205 1 . 1 1 39 39 ASP N N 39 118.112 118.112 120.935 -2.823 25789
206 1 . 1 1 39 39 ASP HA H 39 5.035 5.035 5.096 -0.061 25789
207 1 . 1 1 39 39 ASP CA C 39 51.652 51.652 51.422 0.230 25789
208 1 . 1 1 39 39 ASP CB C 39 41.995 41.995 42.155 -0.160 25789
209 1 . 1 1 39 39 ASP H H 39 7.824 7.824 7.890 -0.066 25789
210 1 . 1 1 40 40 PRO HA H 40 4.682 4.682 4.403 0.279 25789
211 1 . 1 1 40 40 PRO C C 40 177.751 177.751 176.810 0.941 25789
212 1 . 1 1 40 40 PRO CA C 40 63.531 63.531 63.788 -0.257 25789
213 1 . 1 1 40 40 PRO CB C 40 32.479 32.479 32.139 0.340 25789
214 1 . 1 1 41 41 ASN N N 41 114.538 114.538 115.457 -0.919 25789
215 1 . 1 1 41 41 ASN HA H 41 4.710 4.710 4.702 0.008 25789
216 1 . 1 1 41 41 ASN C C 41 175.877 175.877 175.609 0.268 25789
217 1 . 1 1 41 41 ASN CA C 41 53.533 53.533 53.635 -0.102 25789
218 1 . 1 1 41 41 ASN CB C 41 39.317 39.317 39.297 0.020 25789
219 1 . 1 1 41 41 ASN H H 41 8.183 8.183 8.057 0.126 25789
220 1 . 1 1 42 42 ILE N N 42 117.609 117.609 117.183 0.426 25789
221 1 . 1 1 42 42 ILE HA H 42 4.188 4.188 4.371 -0.183 25789
222 1 . 1 1 42 42 ILE C C 42 174.947 174.947 174.777 0.170 25789
223 1 . 1 1 42 42 ILE CA C 42 62.863 62.863 60.368 2.495 25789
224 1 . 1 1 42 42 ILE CB C 42 39.653 39.653 39.327 0.326 25789
225 1 . 1 1 42 42 ILE H H 42 7.260 7.260 7.381 -0.121 25789
226 1 . 1 1 43 43 THR N N 43 114.448 114.448 113.933 0.515 25789
227 1 . 1 1 43 43 THR HA H 43 4.814 4.814 4.848 -0.034 25789
228 1 . 1 1 43 43 THR C C 43 173.737 173.737 174.129 -0.392 25789
229 1 . 1 1 43 43 THR CA C 43 60.118 60.118 59.638 0.480 25789
230 1 . 1 1 43 43 THR CB C 43 72.559 72.559 71.352 1.207 25789
231 1 . 1 1 43 43 THR H H 43 8.828 8.828 8.228 0.600 25789
232 1 . 1 1 44 44 ILE N N 44 121.256 121.256 121.363 -0.107 25789
233 1 . 1 1 44 44 ILE HA H 44 3.475 3.475 3.907 -0.432 25789
234 1 . 1 1 44 44 ILE C C 44 176.400 176.400 176.345 0.055 25789
235 1 . 1 1 44 44 ILE CA C 44 62.849 62.849 62.240 0.609 25789
236 1 . 1 1 44 44 ILE CB C 44 37.712 37.712 37.260 0.452 25789
237 1 . 1 1 44 44 ILE H H 44 8.487 8.487 8.427 0.060 25789
238 1 . 1 1 45 45 ALA N N 45 140.640 140.640 132.210 8.430 25789
239 1 . 1 1 45 45 ALA HA H 45 4.210 4.210 4.296 -0.086 25789
240 1 . 1 1 45 45 ALA C C 45 178.725 178.725 177.282 1.443 25789
241 1 . 1 1 45 45 ALA CA C 45 54.537 54.537 53.557 0.980 25789
242 1 . 1 1 45 45 ALA CB C 45 19.216 19.216 20.199 -0.983 25789
243 1 . 1 1 45 45 ALA H H 45 9.195 9.195 8.971 0.224 25789
244 1 . 1 1 46 46 HIS N N 46 106.909 106.909 110.092 -3.183 25789
245 1 . 1 1 46 46 HIS HA H 46 4.608 4.608 4.727 -0.119 25789
246 1 . 1 1 46 46 HIS C C 46 173.062 173.062 173.100 -0.038 25789
247 1 . 1 1 46 46 HIS CA C 46 54.573 54.573 54.783 -0.210 25789
248 1 . 1 1 46 46 HIS CB C 46 29.351 29.351 30.206 -0.855 25789
249 1 . 1 1 46 46 HIS H H 46 7.240 7.240 7.379 -0.139 25789
250 1 . 1 1 47 47 MET N N 47 119.326 119.326 121.316 -1.990 25789
251 1 . 1 1 47 47 MET HA H 47 4.655 4.655 4.194 0.461 25789
252 1 . 1 1 47 47 MET C C 47 179.036 179.036 176.869 2.167 25789
253 1 . 1 1 47 47 MET CA C 47 54.965 54.965 55.992 -1.027 25789
254 1 . 1 1 47 47 MET CB C 47 31.458 31.458 32.755 -1.297 25789
255 1 . 1 1 47 47 MET H H 47 9.092 9.092 8.616 0.476 25789
256 1 . 1 1 48 48 GLY N N 48 114.963 114.963 111.756 3.207 25789
257 1 . 1 1 48 48 GLY C C 48 170.539 170.539 172.795 -2.256 25789
258 1 . 1 1 48 48 GLY CA C 48 44.288 44.288 44.314 -0.026 25789
259 1 . 1 1 48 48 GLY H H 48 8.162 8.162 8.561 -0.399 25789
260 1 . 1 1 49 49 GLU N N 49 113.303 113.303 119.699 -6.396 25789
261 1 . 1 1 49 49 GLU HA H 49 3.971 3.971 4.148 -0.177 25789
262 1 . 1 1 49 49 GLU C C 49 178.243 178.243 176.079 2.164 25789
263 1 . 1 1 49 49 GLU CA C 49 56.770 56.770 55.958 0.812 25789
264 1 . 1 1 49 49 GLU CB C 49 30.475 30.475 30.318 0.157 25789
265 1 . 1 1 49 49 GLU H H 49 8.225 8.225 8.430 -0.205 25789
stop_
save_