data_18514
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18514
_Entry.PDB_ID 2LUA
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 18514
_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 PRO HA H 9 4.783 4.783 4.673 0.110 18514
2 1 1 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.211 -0.404 18514
3 1 1 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.683 -0.892 18514
4 1 1 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.400 0.003 18514
5 1 1 . 1 1 3 3 PRO CA C 10 62.734 62.734 63.029 -0.295 18514
6 1 1 . 1 1 3 3 PRO CB C 10 31.888 31.888 31.936 -0.048 18514
7 1 1 . 1 1 4 4 LYS N N 11 124.307 124.307 123.994 0.313 18514
8 1 1 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.617 -0.102 18514
9 1 1 . 1 1 4 4 LYS C C 11 173.272 173.272 174.874 -1.602 18514
10 1 1 . 1 1 4 4 LYS CA C 11 54.281 54.281 53.153 1.128 18514
11 1 1 . 1 1 4 4 LYS CB C 11 31.920 31.920 32.174 -0.254 18514
12 1 1 . 1 1 4 4 LYS H H 11 8.380 8.380 8.331 0.049 18514
13 1 1 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.494 -0.058 18514
14 1 1 . 1 1 5 5 PRO C C 12 127.380 127.380 175.585 -48.205 18514
15 1 1 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.603 0.190 18514
16 1 1 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.424 -0.342 18514
17 1 1 . 1 1 6 6 LYS N N 13 118.851 118.851 118.761 0.090 18514
18 1 1 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.562 0.585 18514
19 1 1 . 1 1 6 6 LYS C C 13 173.408 173.408 175.149 -1.741 18514
20 1 1 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.659 -0.202 18514
21 1 1 . 1 1 6 6 LYS CB C 13 34.841 34.841 34.413 0.428 18514
22 1 1 . 1 1 6 6 LYS H H 13 8.064 8.064 8.061 0.003 18514
23 1 1 . 1 1 7 7 CYS N N 14 127.385 127.385 118.359 9.026 18514
24 1 1 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.918 0.310 18514
25 1 1 . 1 1 7 7 CYS C C 14 173.408 173.408 173.808 -0.400 18514
26 1 1 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.649 -0.057 18514
27 1 1 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.673 3.188 18514
28 1 1 . 1 1 7 7 CYS H H 14 9.943 9.943 8.018 1.925 18514
29 1 1 . 1 1 8 8 ARG N N 15 117.940 117.940 118.994 -1.054 18514
30 1 1 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.765 -0.419 18514
31 1 1 . 1 1 8 8 ARG C C 15 175.808 175.808 175.909 -0.101 18514
32 1 1 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.308 -0.937 18514
33 1 1 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.656 0.075 18514
34 1 1 . 1 1 8 8 ARG H H 15 8.835 8.835 8.675 0.160 18514
35 1 1 . 1 1 9 9 CYS N N 16 122.323 122.323 118.904 3.419 18514
36 1 1 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.706 -0.682 18514
37 1 1 . 1 1 9 9 CYS C C 16 174.360 174.360 176.107 -1.747 18514
38 1 1 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.520 -0.281 18514
39 1 1 . 1 1 9 9 CYS CB C 16 32.451 32.451 24.907 7.544 18514
40 1 1 . 1 1 9 9 CYS H H 16 7.433 7.433 8.493 -1.060 18514
41 1 1 . 1 1 10 10 GLY N N 17 108.065 108.065 115.206 -7.141 18514
42 1 1 . 1 1 10 10 GLY C C 17 174.518 174.518 175.849 -1.331 18514
43 1 1 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.883 -0.323 18514
44 1 1 . 1 1 10 10 GLY H H 17 8.788 8.788 9.151 -0.363 18514
45 1 1 . 1 1 11 11 ILE N N 18 118.990 118.990 123.087 -4.097 18514
46 1 1 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.212 -0.235 18514
47 1 1 . 1 1 11 11 ILE C C 18 173.820 173.820 176.372 -2.552 18514
48 1 1 . 1 1 11 11 ILE CA C 18 63.590 63.590 62.978 0.612 18514
49 1 1 . 1 1 11 11 ILE CB C 18 38.724 38.724 37.947 0.777 18514
50 1 1 . 1 1 11 11 ILE H H 18 7.557 7.557 8.075 -0.518 18514
51 1 1 . 1 1 12 12 SER N N 19 116.128 116.128 112.883 3.245 18514
52 1 1 . 1 1 12 12 SER HA H 19 4.510 4.510 4.678 -0.168 18514
53 1 1 . 1 1 12 12 SER C C 19 172.948 172.948 174.674 -1.726 18514
54 1 1 . 1 1 12 12 SER CA C 19 58.200 58.200 57.333 0.867 18514
55 1 1 . 1 1 12 12 SER CB C 19 63.800 63.800 66.097 -2.297 18514
56 1 1 . 1 1 12 12 SER H H 19 8.418 8.418 8.385 0.033 18514
57 1 1 . 1 1 13 13 GLY N N 20 110.984 110.984 110.447 0.537 18514
58 1 1 . 1 1 13 13 GLY C C 20 172.948 172.948 173.894 -0.946 18514
59 1 1 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.783 -0.385 18514
60 1 1 . 1 1 13 13 GLY H H 20 8.243 8.243 8.555 -0.312 18514
61 1 1 . 1 1 14 14 SER N N 21 114.951 114.951 119.357 -4.406 18514
62 1 1 . 1 1 14 14 SER HA H 21 4.535 4.535 4.615 -0.080 18514
63 1 1 . 1 1 14 14 SER C C 21 175.376 175.376 173.058 2.318 18514
64 1 1 . 1 1 14 14 SER CA C 21 57.930 57.930 57.510 0.420 18514
65 1 1 . 1 1 14 14 SER CB C 21 64.080 64.080 64.410 -0.330 18514
66 1 1 . 1 1 14 14 SER H H 21 8.250 8.250 8.160 0.090 18514
67 1 1 . 1 1 15 15 SER N N 22 118.334 118.334 122.626 -4.292 18514
68 1 1 . 1 1 15 15 SER HA H 22 4.449 4.449 4.556 -0.107 18514
69 1 1 . 1 1 15 15 SER C C 22 174.863 174.863 173.512 1.351 18514
70 1 1 . 1 1 15 15 SER CA C 22 57.767 57.767 58.538 -0.771 18514
71 1 1 . 1 1 15 15 SER CB C 22 63.598 63.598 63.914 -0.316 18514
72 1 1 . 1 1 15 15 SER H H 22 8.427 8.427 8.560 -0.133 18514
73 1 1 . 1 1 16 16 ASN N N 23 120.784 120.784 123.979 -3.195 18514
74 1 1 . 1 1 16 16 ASN HA H 23 4.810 4.810 5.010 -0.200 18514
75 1 1 . 1 1 16 16 ASN C C 23 175.364 175.364 174.927 0.437 18514
76 1 1 . 1 1 16 16 ASN CA C 23 53.174 53.174 52.032 1.142 18514
77 1 1 . 1 1 16 16 ASN CB C 23 38.467 38.467 40.850 -2.384 18514
78 1 1 . 1 1 16 16 ASN H H 23 8.453 8.453 8.297 0.156 18514
79 1 1 . 1 1 17 17 THR N N 24 115.660 115.660 115.723 -0.063 18514
80 1 1 . 1 1 17 17 THR HA H 24 4.346 4.346 4.581 -0.235 18514
81 1 1 . 1 1 17 17 THR C C 24 173.428 173.428 176.005 -2.577 18514
82 1 1 . 1 1 17 17 THR CA C 24 62.126 62.126 65.090 -2.964 18514
83 1 1 . 1 1 17 17 THR CB C 24 68.777 68.777 69.846 -1.069 18514
84 1 1 . 1 1 17 17 THR H H 24 8.417 8.417 8.636 -0.219 18514
85 1 1 . 1 1 18 18 LEU N N 25 121.190 121.190 119.028 2.162 18514
86 1 1 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.620 -0.326 18514
87 1 1 . 1 1 18 18 LEU C C 25 173.951 173.951 177.622 -3.671 18514
88 1 1 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.586 -0.338 18514
89 1 1 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.171 0.136 18514
90 1 1 . 1 1 18 18 LEU H H 25 8.218 8.218 7.860 0.358 18514
91 1 1 . 1 1 19 19 THR N N 26 106.988 106.988 109.459 -2.471 18514
92 1 1 . 1 1 19 19 THR HA H 26 4.230 4.230 4.236 -0.006 18514
93 1 1 . 1 1 19 19 THR C C 26 171.429 171.429 175.664 -4.235 18514
94 1 1 . 1 1 19 19 THR CA C 26 60.631 60.631 62.964 -2.333 18514
95 1 1 . 1 1 19 19 THR CB C 26 68.296 68.296 68.748 -0.452 18514
96 1 1 . 1 1 19 19 THR H H 26 7.791 7.791 7.731 0.060 18514
97 1 1 . 1 1 20 20 THR N N 27 121.441 121.441 119.477 1.964 18514
98 1 1 . 1 1 20 20 THR HA H 27 3.976 3.976 4.049 -0.073 18514
99 1 1 . 1 1 20 20 THR C C 27 175.121 175.121 176.012 -0.891 18514
100 1 1 . 1 1 20 20 THR CA C 27 68.900 68.900 66.356 2.543 18514
101 1 1 . 1 1 20 20 THR CB C 27 65.100 65.100 68.460 -3.360 18514
102 1 1 . 1 1 20 20 THR H H 27 7.370 7.370 8.134 -0.764 18514
103 1 1 . 1 1 21 21 CYS N N 28 121.174 121.174 116.647 4.527 18514
104 1 1 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.517 -0.507 18514
105 1 1 . 1 1 21 21 CYS C C 28 174.930 174.930 175.245 -0.315 18514
106 1 1 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.746 1.063 18514
107 1 1 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.115 5.642 18514
108 1 1 . 1 1 21 21 CYS H H 28 9.321 9.321 8.486 0.835 18514
109 1 1 . 1 1 22 22 ARG N N 29 115.643 115.643 119.103 -3.460 18514
110 1 1 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.065 -0.842 18514
111 1 1 . 1 1 22 22 ARG C C 29 177.619 177.619 174.799 2.820 18514
112 1 1 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.149 -3.319 18514
113 1 1 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.610 0.658 18514
114 1 1 . 1 1 22 22 ARG H H 29 7.880 7.880 8.235 -0.355 18514
115 1 1 . 1 1 23 23 ASN N N 30 113.854 113.854 115.080 -1.226 18514
116 1 1 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.594 -0.008 18514
117 1 1 . 1 1 23 23 ASN C C 30 174.972 174.972 175.406 -0.434 18514
118 1 1 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.334 0.142 18514
119 1 1 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.380 0.973 18514
120 1 1 . 1 1 23 23 ASN H H 30 6.816 6.816 7.301 -0.485 18514
121 1 1 . 1 1 24 24 SER N N 31 113.788 113.788 114.296 -0.508 18514
122 1 1 . 1 1 24 24 SER HA H 31 4.172 4.172 4.399 -0.227 18514
123 1 1 . 1 1 24 24 SER C C 31 174.820 174.820 174.713 0.107 18514
124 1 1 . 1 1 24 24 SER CA C 31 61.080 61.080 60.095 0.985 18514
125 1 1 . 1 1 24 24 SER CB C 31 63.425 63.425 62.828 0.597 18514
126 1 1 . 1 1 24 24 SER H H 31 8.873 8.873 8.664 0.209 18514
127 1 1 . 1 1 25 25 ARG N N 32 119.696 119.696 118.721 0.975 18514
128 1 1 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.381 -0.174 18514
129 1 1 . 1 1 25 25 ARG C C 32 175.482 175.482 176.118 -0.636 18514
130 1 1 . 1 1 25 25 ARG CA C 32 57.018 57.018 55.312 1.706 18514
131 1 1 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.002 -0.270 18514
132 1 1 . 1 1 25 25 ARG H H 32 8.104 8.104 8.303 -0.199 18514
133 1 1 . 1 1 26 26 CYS N N 33 123.061 123.061 122.342 0.719 18514
134 1 1 . 1 1 26 26 CYS HA H 33 4.687 4.687 5.059 -0.372 18514
135 1 1 . 1 1 26 26 CYS C C 33 173.064 173.064 173.551 -0.487 18514
136 1 1 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.737 -0.037 18514
137 1 1 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.606 3.348 18514
138 1 1 . 1 1 26 26 CYS H H 33 7.766 7.766 7.679 0.087 18514
139 1 1 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.275 0.017 18514
140 1 1 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.290 -1.024 18514
141 1 1 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.669 0.489 18514
142 1 1 . 1 1 28 28 CYS N N 35 129.050 129.050 116.099 12.951 18514
143 1 1 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.157 -0.527 18514
144 1 1 . 1 1 28 28 CYS C C 35 171.254 171.254 176.762 -5.508 18514
145 1 1 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.368 -0.783 18514
146 1 1 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.639 3.608 18514
147 1 1 . 1 1 28 28 CYS H H 35 8.368 8.368 8.205 0.163 18514
148 1 1 . 1 1 29 29 TYR N N 36 124.364 124.364 121.705 2.659 18514
149 1 1 . 1 1 29 29 TYR HA H 36 4.060 4.060 3.918 0.142 18514
150 1 1 . 1 1 29 29 TYR C C 36 172.650 172.650 177.773 -5.123 18514
151 1 1 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.294 0.827 18514
152 1 1 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.217 -0.296 18514
153 1 1 . 1 1 29 29 TYR H H 36 8.197 8.197 7.661 0.536 18514
154 1 1 . 1 1 30 30 LYS N N 37 117.214 117.214 118.826 -1.612 18514
155 1 1 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.877 -0.098 18514
156 1 1 . 1 1 30 30 LYS C C 37 172.650 172.650 177.750 -5.100 18514
157 1 1 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.382 0.014 18514
158 1 1 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.270 0.362 18514
159 1 1 . 1 1 30 30 LYS H H 37 8.441 8.441 7.937 0.504 18514
160 1 1 . 1 1 31 31 SER N N 38 109.671 109.671 113.034 -3.363 18514
161 1 1 . 1 1 31 31 SER HA H 38 4.348 4.348 4.526 -0.178 18514
162 1 1 . 1 1 31 31 SER C C 38 173.566 173.566 173.382 0.184 18514
163 1 1 . 1 1 31 31 SER CA C 38 56.469 56.469 58.518 -2.049 18514
164 1 1 . 1 1 31 31 SER CB C 38 63.461 63.461 63.581 -0.120 18514
165 1 1 . 1 1 31 31 SER H H 38 7.180 7.180 7.663 -0.483 18514
166 1 1 . 1 1 32 32 TYR N N 39 116.096 116.096 116.085 0.011 18514
167 1 1 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.484 -0.397 18514
168 1 1 . 1 1 32 32 TYR C C 39 176.728 176.728 174.812 1.916 18514
169 1 1 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.214 -0.598 18514
170 1 1 . 1 1 32 32 TYR CB C 39 34.550 34.550 35.197 -0.647 18514
171 1 1 . 1 1 32 32 TYR H H 39 7.410 7.410 7.121 0.289 18514
172 1 1 . 1 1 33 33 ASN N N 40 116.549 116.549 117.287 -0.738 18514
173 1 1 . 1 1 33 33 ASN HA H 40 5.003 5.003 5.115 -0.112 18514
174 1 1 . 1 1 33 33 ASN C C 40 176.083 176.083 173.918 2.165 18514
175 1 1 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.165 -0.021 18514
176 1 1 . 1 1 33 33 ASN CB C 40 43.554 43.554 42.866 0.688 18514
177 1 1 . 1 1 33 33 ASN H H 40 8.257 8.257 8.132 0.125 18514
178 1 1 . 1 1 34 34 SER N N 41 115.071 115.071 115.123 -0.052 18514
179 1 1 . 1 1 34 34 SER HA H 41 4.477 4.477 4.717 -0.240 18514
180 1 1 . 1 1 34 34 SER C C 41 174.850 174.850 175.355 -0.505 18514
181 1 1 . 1 1 34 34 SER CA C 41 57.625 57.625 57.884 -0.259 18514
182 1 1 . 1 1 34 34 SER CB C 41 65.000 65.000 64.424 0.576 18514
183 1 1 . 1 1 34 34 SER H H 41 8.720 8.720 8.426 0.294 18514
184 1 1 . 1 1 35 35 CYS N N 42 115.950 115.950 122.450 -6.500 18514
185 1 1 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.618 1.062 18514
186 1 1 . 1 1 35 35 CYS C C 42 174.850 174.850 175.055 -0.205 18514
187 1 1 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.689 1.095 18514
188 1 1 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.586 7.362 18514
189 1 1 . 1 1 35 35 CYS H H 42 8.696 8.696 8.967 -0.271 18514
190 1 1 . 1 1 36 36 ALA N N 43 124.417 124.417 127.309 -2.892 18514
191 1 1 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.478 -0.261 18514
192 1 1 . 1 1 36 36 ALA C C 43 173.572 173.572 177.639 -4.067 18514
193 1 1 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.770 2.559 18514
194 1 1 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.332 -0.497 18514
195 1 1 . 1 1 36 36 ALA H H 43 8.002 8.002 8.015 -0.013 18514
196 1 1 . 1 1 37 37 GLY N N 44 113.524 113.524 112.056 1.468 18514
197 1 1 . 1 1 37 37 GLY C C 44 170.263 170.263 173.997 -3.734 18514
198 1 1 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.864 0.853 18514
199 1 1 . 1 1 37 37 GLY H H 44 8.932 8.932 8.753 0.179 18514
200 1 1 . 1 1 38 38 CYS N N 45 120.184 120.184 117.968 2.216 18514
201 1 1 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.533 -0.457 18514
202 1 1 . 1 1 38 38 CYS C C 45 170.263 170.263 174.716 -4.453 18514
203 1 1 . 1 1 38 38 CYS CA C 45 61.886 61.886 57.675 4.211 18514
204 1 1 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.482 4.140 18514
205 1 1 . 1 1 38 38 CYS H H 45 7.641 7.641 7.900 -0.259 18514
206 1 1 . 1 1 39 39 HIS N N 46 118.156 118.156 119.570 -1.414 18514
207 1 1 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.836 0.214 18514
208 1 1 . 1 1 39 39 HIS C C 46 174.223 174.223 174.412 -0.189 18514
209 1 1 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.784 -1.295 18514
210 1 1 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.724 -0.036 18514
211 1 1 . 1 1 39 39 HIS H H 46 8.234 8.234 9.190 -0.956 18514
212 1 1 . 1 1 40 40 CYS N N 47 118.354 118.354 117.066 1.288 18514
213 1 1 . 1 1 40 40 CYS HA H 47 4.822 4.822 5.046 -0.224 18514
214 1 1 . 1 1 40 40 CYS C C 47 176.296 176.296 174.464 1.832 18514
215 1 1 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.085 -0.489 18514
216 1 1 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.694 5.544 18514
217 1 1 . 1 1 40 40 CYS H H 47 7.403 7.403 7.803 -0.400 18514
218 1 1 . 1 1 41 41 VAL N N 48 118.968 118.968 124.226 -5.258 18514
219 1 1 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.223 0.008 18514
220 1 1 . 1 1 41 41 VAL C C 48 174.265 174.265 176.015 -1.750 18514
221 1 1 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.492 -0.261 18514
222 1 1 . 1 1 41 41 VAL CB C 48 34.698 34.698 33.081 1.617 18514
223 1 1 . 1 1 41 41 VAL H H 48 8.205 8.205 8.833 -0.628 18514
224 1 1 . 1 1 42 42 GLY N N 49 115.726 115.726 115.114 0.612 18514
225 1 1 . 1 1 42 42 GLY C C 49 174.223 174.223 174.029 0.194 18514
226 1 1 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.026 1.087 18514
227 1 1 . 1 1 42 42 GLY H H 49 8.634 8.634 8.528 0.106 18514
228 1 1 . 1 1 43 43 CYS N N 50 119.917 119.917 120.019 -0.102 18514
229 1 1 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.414 -1.257 18514
230 1 1 . 1 1 43 43 CYS C C 50 173.428 173.428 174.739 -1.311 18514
231 1 1 . 1 1 43 43 CYS CA C 50 63.346 63.346 58.783 4.563 18514
232 1 1 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.363 6.763 18514
233 1 1 . 1 1 43 43 CYS H H 50 7.670 7.670 8.369 -0.699 18514
234 1 1 . 1 1 44 44 LYS N N 51 128.057 128.057 130.267 -2.210 18514
235 1 1 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.435 0.163 18514
236 1 1 . 1 1 44 44 LYS C C 51 171.776 171.776 174.474 -2.698 18514
237 1 1 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.849 -0.812 18514
238 1 1 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.638 -0.913 18514
239 1 1 . 1 1 44 44 LYS H H 51 7.934 7.934 8.215 -0.281 18514
240 1 1 . 1 1 45 45 ASN N N 52 125.259 125.259 122.276 2.983 18514
241 1 1 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.028 -0.261 18514
242 1 1 . 1 1 45 45 ASN C C 52 171.776 171.776 174.194 -2.418 18514
243 1 1 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.539 2.711 18514
244 1 1 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.984 -0.464 18514
245 1 1 . 1 1 45 45 ASN H H 52 9.076 9.076 8.276 0.800 18514
246 1 1 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.384 0.079 18514
247 1 1 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.748 -0.617 18514
248 1 1 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.328 0.003 18514
249 1 1 . 1 1 47 47 HIS N N 54 121.186 121.186 120.759 0.427 18514
250 1 1 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.643 -0.129 18514
251 1 1 . 1 1 47 47 HIS C C 54 172.204 172.204 173.799 -1.595 18514
252 1 1 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.417 0.887 18514
253 1 1 . 1 1 47 47 HIS CB C 54 27.908 27.908 28.294 -0.386 18514
254 1 1 . 1 1 47 47 HIS H H 54 8.236 8.236 8.750 -0.514 18514
255 1 1 . 1 1 48 48 LYS N N 55 123.556 123.556 123.808 -0.252 18514
256 1 1 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.461 -0.000 18514
257 1 1 . 1 1 48 48 LYS C C 55 175.066 175.066 176.411 -1.345 18514
258 1 1 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.462 0.858 18514
259 1 1 . 1 1 48 48 LYS CB C 55 34.106 34.106 33.624 0.482 18514
260 1 1 . 1 1 48 48 LYS H H 55 8.470 8.470 7.694 0.776 18514
261 1 1 . 1 1 49 49 GLU N N 56 121.100 121.100 124.454 -3.354 18514
262 1 1 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.273 0.078 18514
263 1 1 . 1 1 49 49 GLU C C 56 173.210 173.210 175.941 -2.731 18514
264 1 1 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.320 0.043 18514
265 1 1 . 1 1 49 49 GLU CB C 56 30.623 30.623 29.674 0.949 18514
266 1 1 . 1 1 49 49 GLU H H 56 8.523 8.523 8.450 0.073 18514
267 1 1 . 1 1 50 50 ASP N N 57 121.579 121.579 125.781 -4.202 18514
268 1 1 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.634 0.035 18514
269 1 1 . 1 1 50 50 ASP C C 57 173.845 173.845 175.415 -1.570 18514
270 1 1 . 1 1 50 50 ASP CA C 57 54.291 54.291 55.088 -0.797 18514
271 1 1 . 1 1 50 50 ASP CB C 57 41.452 41.452 40.330 1.122 18514
272 1 1 . 1 1 50 50 ASP H H 57 8.396 8.396 8.678 -0.282 18514
273 1 1 . 1 1 51 51 TYR N N 58 120.844 120.844 126.994 -6.150 18514
274 1 1 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.659 -0.142 18514
275 1 1 . 1 1 51 51 TYR C C 58 173.968 173.968 174.330 -0.362 18514
276 1 1 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.353 0.443 18514
277 1 1 . 1 1 51 51 TYR CB C 58 38.958 38.958 38.890 0.068 18514
278 1 1 . 1 1 51 51 TYR H H 58 8.176 8.176 8.140 0.036 18514
279 1 2 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.699 0.084 18514
280 1 2 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.497 -0.690 18514
281 1 2 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.258 -0.467 18514
282 1 2 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.486 -0.083 18514
283 1 2 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.853 -0.119 18514
284 1 2 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.439 -0.551 18514
285 1 2 . 1 1 4 4 LYS N N 11 124.307 124.307 122.631 1.676 18514
286 1 2 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.529 -0.014 18514
287 1 2 . 1 1 4 4 LYS C C 11 173.272 173.272 175.204 -1.932 18514
288 1 2 . 1 1 4 4 LYS CA C 11 54.281 54.281 53.960 0.321 18514
289 1 2 . 1 1 4 4 LYS CB C 11 31.920 31.920 31.883 0.037 18514
290 1 2 . 1 1 4 4 LYS H H 11 8.380 8.380 8.177 0.203 18514
291 1 2 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.317 0.119 18514
292 1 2 . 1 1 5 5 PRO C C 12 127.380 127.380 175.964 -48.584 18514
293 1 2 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.955 -0.162 18514
294 1 2 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.246 -0.164 18514
295 1 2 . 1 1 6 6 LYS N N 13 118.851 118.851 119.810 -0.959 18514
296 1 2 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.594 0.553 18514
297 1 2 . 1 1 6 6 LYS C C 13 173.408 173.408 175.730 -2.322 18514
298 1 2 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.659 -0.202 18514
299 1 2 . 1 1 6 6 LYS CB C 13 34.841 34.841 35.587 -0.746 18514
300 1 2 . 1 1 6 6 LYS H H 13 8.064 8.064 8.294 -0.230 18514
301 1 2 . 1 1 7 7 CYS N N 14 127.385 127.385 117.508 9.877 18514
302 1 2 . 1 1 7 7 CYS HA H 14 5.228 5.228 5.075 0.153 18514
303 1 2 . 1 1 7 7 CYS C C 14 173.408 173.408 173.988 -0.580 18514
304 1 2 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.292 0.300 18514
305 1 2 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.815 3.046 18514
306 1 2 . 1 1 7 7 CYS H H 14 9.943 9.943 8.491 1.452 18514
307 1 2 . 1 1 8 8 ARG N N 15 117.940 117.940 118.869 -0.929 18514
308 1 2 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.771 -0.425 18514
309 1 2 . 1 1 8 8 ARG C C 15 175.808 175.808 176.008 -0.200 18514
310 1 2 . 1 1 8 8 ARG CA C 15 54.371 54.371 54.895 -0.524 18514
311 1 2 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.896 -0.165 18514
312 1 2 . 1 1 8 8 ARG H H 15 8.835 8.835 8.779 0.056 18514
313 1 2 . 1 1 9 9 CYS N N 16 122.323 122.323 117.991 4.332 18514
314 1 2 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.399 -0.375 18514
315 1 2 . 1 1 9 9 CYS C C 16 174.360 174.360 176.444 -2.084 18514
316 1 2 . 1 1 9 9 CYS CA C 16 60.239 60.239 61.063 -0.824 18514
317 1 2 . 1 1 9 9 CYS CB C 16 32.451 32.451 26.514 5.938 18514
318 1 2 . 1 1 9 9 CYS H H 16 7.433 7.433 8.261 -0.828 18514
319 1 2 . 1 1 10 10 GLY N N 17 108.065 108.065 115.022 -6.957 18514
320 1 2 . 1 1 10 10 GLY C C 17 174.518 174.518 175.034 -0.516 18514
321 1 2 . 1 1 10 10 GLY CA C 17 45.560 45.560 46.102 -0.542 18514
322 1 2 . 1 1 10 10 GLY H H 17 8.788 8.788 8.986 -0.198 18514
323 1 2 . 1 1 11 11 ILE N N 18 118.990 118.990 121.044 -2.054 18514
324 1 2 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.167 -0.190 18514
325 1 2 . 1 1 11 11 ILE C C 18 173.820 173.820 175.723 -1.903 18514
326 1 2 . 1 1 11 11 ILE CA C 18 63.590 63.590 62.543 1.047 18514
327 1 2 . 1 1 11 11 ILE CB C 18 38.724 38.724 39.045 -0.321 18514
328 1 2 . 1 1 11 11 ILE H H 18 7.557 7.557 7.830 -0.273 18514
329 1 2 . 1 1 12 12 SER N N 19 116.128 116.128 114.748 1.380 18514
330 1 2 . 1 1 12 12 SER HA H 19 4.510 4.510 4.683 -0.173 18514
331 1 2 . 1 1 12 12 SER C C 19 172.948 172.948 173.631 -0.683 18514
332 1 2 . 1 1 12 12 SER CA C 19 58.200 58.200 58.176 0.024 18514
333 1 2 . 1 1 12 12 SER CB C 19 63.800 63.800 65.761 -1.962 18514
334 1 2 . 1 1 12 12 SER H H 19 8.418 8.418 8.155 0.263 18514
335 1 2 . 1 1 13 13 GLY N N 20 110.984 110.984 113.662 -2.678 18514
336 1 2 . 1 1 13 13 GLY C C 20 172.948 172.948 172.634 0.314 18514
337 1 2 . 1 1 13 13 GLY CA C 20 45.398 45.398 46.117 -0.719 18514
338 1 2 . 1 1 13 13 GLY H H 20 8.243 8.243 8.318 -0.075 18514
339 1 2 . 1 1 14 14 SER N N 21 114.951 114.951 113.442 1.509 18514
340 1 2 . 1 1 14 14 SER HA H 21 4.535 4.535 4.599 -0.064 18514
341 1 2 . 1 1 14 14 SER C C 21 175.376 175.376 173.171 2.205 18514
342 1 2 . 1 1 14 14 SER CA C 21 57.930 57.930 57.024 0.906 18514
343 1 2 . 1 1 14 14 SER CB C 21 64.080 64.080 65.537 -1.457 18514
344 1 2 . 1 1 14 14 SER H H 21 8.250 8.250 7.709 0.541 18514
345 1 2 . 1 1 15 15 SER N N 22 118.334 118.334 117.045 1.289 18514
346 1 2 . 1 1 15 15 SER HA H 22 4.449 4.449 4.591 -0.142 18514
347 1 2 . 1 1 15 15 SER C C 22 174.863 174.863 173.624 1.239 18514
348 1 2 . 1 1 15 15 SER CA C 22 57.767 57.767 57.965 -0.198 18514
349 1 2 . 1 1 15 15 SER CB C 22 63.598 63.598 62.732 0.866 18514
350 1 2 . 1 1 15 15 SER H H 22 8.427 8.427 8.543 -0.116 18514
351 1 2 . 1 1 16 16 ASN N N 23 120.784 120.784 124.545 -3.761 18514
352 1 2 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.925 -0.115 18514
353 1 2 . 1 1 16 16 ASN C C 23 175.364 175.364 174.540 0.824 18514
354 1 2 . 1 1 16 16 ASN CA C 23 53.174 53.174 52.855 0.319 18514
355 1 2 . 1 1 16 16 ASN CB C 23 38.467 38.467 40.894 -2.427 18514
356 1 2 . 1 1 16 16 ASN H H 23 8.453 8.453 7.729 0.724 18514
357 1 2 . 1 1 17 17 THR N N 24 115.660 115.660 114.592 1.068 18514
358 1 2 . 1 1 17 17 THR HA H 24 4.346 4.346 4.429 -0.083 18514
359 1 2 . 1 1 17 17 THR C C 24 173.428 173.428 175.162 -1.734 18514
360 1 2 . 1 1 17 17 THR CA C 24 62.126 62.126 63.115 -0.990 18514
361 1 2 . 1 1 17 17 THR CB C 24 68.777 68.777 69.409 -0.632 18514
362 1 2 . 1 1 17 17 THR H H 24 8.417 8.417 8.519 -0.102 18514
363 1 2 . 1 1 18 18 LEU N N 25 121.190 121.190 115.902 5.288 18514
364 1 2 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.974 -0.680 18514
365 1 2 . 1 1 18 18 LEU C C 25 173.951 173.951 176.852 -2.901 18514
366 1 2 . 1 1 18 18 LEU CA C 25 56.248 56.248 55.843 0.406 18514
367 1 2 . 1 1 18 18 LEU CB C 25 42.307 42.307 43.171 -0.864 18514
368 1 2 . 1 1 18 18 LEU H H 25 8.218 8.218 8.441 -0.223 18514
369 1 2 . 1 1 19 19 THR N N 26 106.988 106.988 114.628 -7.640 18514
370 1 2 . 1 1 19 19 THR HA H 26 4.230 4.230 4.299 -0.069 18514
371 1 2 . 1 1 19 19 THR C C 26 171.429 171.429 174.865 -3.436 18514
372 1 2 . 1 1 19 19 THR CA C 26 60.631 60.631 63.569 -2.938 18514
373 1 2 . 1 1 19 19 THR CB C 26 68.296 68.296 68.416 -0.120 18514
374 1 2 . 1 1 19 19 THR H H 26 7.791 7.791 8.405 -0.614 18514
375 1 2 . 1 1 20 20 THR N N 27 121.441 121.441 117.717 3.724 18514
376 1 2 . 1 1 20 20 THR HA H 27 3.976 3.976 4.019 -0.043 18514
377 1 2 . 1 1 20 20 THR C C 27 175.121 175.121 176.161 -1.040 18514
378 1 2 . 1 1 20 20 THR CA C 27 68.900 68.900 65.543 3.357 18514
379 1 2 . 1 1 20 20 THR CB C 27 65.100 65.100 68.853 -3.753 18514
380 1 2 . 1 1 20 20 THR H H 27 7.370 7.370 7.966 -0.596 18514
381 1 2 . 1 1 21 21 CYS N N 28 121.174 121.174 116.020 5.154 18514
382 1 2 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.522 -0.512 18514
383 1 2 . 1 1 21 21 CYS C C 28 174.930 174.930 175.501 -0.571 18514
384 1 2 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.939 0.870 18514
385 1 2 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.012 5.745 18514
386 1 2 . 1 1 21 21 CYS H H 28 9.321 9.321 8.404 0.917 18514
387 1 2 . 1 1 22 22 ARG N N 29 115.643 115.643 118.980 -3.337 18514
388 1 2 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.190 -0.967 18514
389 1 2 . 1 1 22 22 ARG C C 29 177.619 177.619 174.515 3.104 18514
390 1 2 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.183 -3.353 18514
391 1 2 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.095 1.173 18514
392 1 2 . 1 1 22 22 ARG H H 29 7.880 7.880 8.350 -0.470 18514
393 1 2 . 1 1 23 23 ASN N N 30 113.854 113.854 115.421 -1.567 18514
394 1 2 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.468 0.118 18514
395 1 2 . 1 1 23 23 ASN C C 30 174.972 174.972 175.167 -0.195 18514
396 1 2 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.466 0.010 18514
397 1 2 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.497 0.856 18514
398 1 2 . 1 1 23 23 ASN H H 30 6.816 6.816 7.236 -0.420 18514
399 1 2 . 1 1 24 24 SER N N 31 113.788 113.788 114.045 -0.257 18514
400 1 2 . 1 1 24 24 SER HA H 31 4.172 4.172 4.469 -0.297 18514
401 1 2 . 1 1 24 24 SER C C 31 174.820 174.820 175.057 -0.237 18514
402 1 2 . 1 1 24 24 SER CA C 31 61.080 61.080 60.475 0.605 18514
403 1 2 . 1 1 24 24 SER CB C 31 63.425 63.425 62.889 0.536 18514
404 1 2 . 1 1 24 24 SER H H 31 8.873 8.873 8.667 0.206 18514
405 1 2 . 1 1 25 25 ARG N N 32 119.696 119.696 120.141 -0.445 18514
406 1 2 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.310 -0.103 18514
407 1 2 . 1 1 25 25 ARG C C 32 175.482 175.482 176.148 -0.666 18514
408 1 2 . 1 1 25 25 ARG CA C 32 57.018 57.018 56.587 0.430 18514
409 1 2 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.508 -0.776 18514
410 1 2 . 1 1 25 25 ARG H H 32 8.104 8.104 8.049 0.055 18514
411 1 2 . 1 1 26 26 CYS N N 33 123.061 123.061 122.737 0.324 18514
412 1 2 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.945 -0.258 18514
413 1 2 . 1 1 26 26 CYS C C 33 173.064 173.064 173.882 -0.818 18514
414 1 2 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.914 -0.214 18514
415 1 2 . 1 1 26 26 CYS CB C 33 31.954 31.954 27.945 4.009 18514
416 1 2 . 1 1 26 26 CYS H H 33 7.766 7.766 7.647 0.119 18514
417 1 2 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.259 0.033 18514
418 1 2 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.228 -0.962 18514
419 1 2 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.561 0.597 18514
420 1 2 . 1 1 28 28 CYS N N 35 129.050 129.050 116.022 13.028 18514
421 1 2 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.188 -0.558 18514
422 1 2 . 1 1 28 28 CYS C C 35 171.254 171.254 176.822 -5.568 18514
423 1 2 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.532 -0.947 18514
424 1 2 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.952 3.295 18514
425 1 2 . 1 1 28 28 CYS H H 35 8.368 8.368 7.981 0.387 18514
426 1 2 . 1 1 29 29 TYR N N 36 124.364 124.364 121.779 2.585 18514
427 1 2 . 1 1 29 29 TYR HA H 36 4.060 4.060 3.965 0.095 18514
428 1 2 . 1 1 29 29 TYR C C 36 172.650 172.650 178.047 -5.397 18514
429 1 2 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.406 0.715 18514
430 1 2 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.298 -0.377 18514
431 1 2 . 1 1 29 29 TYR H H 36 8.197 8.197 7.754 0.443 18514
432 1 2 . 1 1 30 30 LYS N N 37 117.214 117.214 118.240 -1.026 18514
433 1 2 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.961 -0.182 18514
434 1 2 . 1 1 30 30 LYS C C 37 172.650 172.650 177.029 -4.379 18514
435 1 2 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.610 -0.214 18514
436 1 2 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.472 0.160 18514
437 1 2 . 1 1 30 30 LYS H H 37 8.441 8.441 8.467 -0.026 18514
438 1 2 . 1 1 31 31 SER N N 38 109.671 109.671 113.308 -3.637 18514
439 1 2 . 1 1 31 31 SER HA H 38 4.348 4.348 4.551 -0.203 18514
440 1 2 . 1 1 31 31 SER C C 38 173.566 173.566 173.365 0.201 18514
441 1 2 . 1 1 31 31 SER CA C 38 56.469 56.469 58.008 -1.539 18514
442 1 2 . 1 1 31 31 SER CB C 38 63.461 63.461 63.923 -0.462 18514
443 1 2 . 1 1 31 31 SER H H 38 7.180 7.180 7.454 -0.274 18514
444 1 2 . 1 1 32 32 TYR N N 39 116.096 116.096 114.677 1.419 18514
445 1 2 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.454 -0.367 18514
446 1 2 . 1 1 32 32 TYR C C 39 176.728 176.728 173.872 2.856 18514
447 1 2 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.230 -0.614 18514
448 1 2 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.890 -0.340 18514
449 1 2 . 1 1 32 32 TYR H H 39 7.410 7.410 7.370 0.040 18514
450 1 2 . 1 1 33 33 ASN N N 40 116.549 116.549 116.036 0.513 18514
451 1 2 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.978 0.025 18514
452 1 2 . 1 1 33 33 ASN C C 40 176.083 176.083 174.499 1.584 18514
453 1 2 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.383 -0.239 18514
454 1 2 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.968 1.586 18514
455 1 2 . 1 1 33 33 ASN H H 40 8.257 8.257 7.875 0.382 18514
456 1 2 . 1 1 34 34 SER N N 41 115.071 115.071 114.278 0.793 18514
457 1 2 . 1 1 34 34 SER HA H 41 4.477 4.477 4.854 -0.377 18514
458 1 2 . 1 1 34 34 SER C C 41 174.850 174.850 175.063 -0.213 18514
459 1 2 . 1 1 34 34 SER CA C 41 57.625 57.625 57.738 -0.113 18514
460 1 2 . 1 1 34 34 SER CB C 41 65.000 65.000 65.008 -0.008 18514
461 1 2 . 1 1 34 34 SER H H 41 8.720 8.720 8.265 0.455 18514
462 1 2 . 1 1 35 35 CYS N N 42 115.950 115.950 122.096 -6.146 18514
463 1 2 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.658 1.022 18514
464 1 2 . 1 1 35 35 CYS C C 42 174.850 174.850 174.993 -0.143 18514
465 1 2 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.060 1.724 18514
466 1 2 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.708 7.240 18514
467 1 2 . 1 1 35 35 CYS H H 42 8.696 8.696 8.970 -0.274 18514
468 1 2 . 1 1 36 36 ALA N N 43 124.417 124.417 126.960 -2.543 18514
469 1 2 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.493 -0.276 18514
470 1 2 . 1 1 36 36 ALA C C 43 173.572 173.572 177.511 -3.939 18514
471 1 2 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.708 2.621 18514
472 1 2 . 1 1 36 36 ALA CB C 43 17.835 17.835 19.216 -1.381 18514
473 1 2 . 1 1 36 36 ALA H H 43 8.002 8.002 7.799 0.203 18514
474 1 2 . 1 1 37 37 GLY N N 44 113.524 113.524 111.378 2.146 18514
475 1 2 . 1 1 37 37 GLY C C 44 170.263 170.263 173.849 -3.586 18514
476 1 2 . 1 1 37 37 GLY CA C 44 45.717 45.717 45.000 0.717 18514
477 1 2 . 1 1 37 37 GLY H H 44 8.932 8.932 8.707 0.225 18514
478 1 2 . 1 1 38 38 CYS N N 45 120.184 120.184 117.528 2.656 18514
479 1 2 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.483 -0.407 18514
480 1 2 . 1 1 38 38 CYS C C 45 170.263 170.263 174.844 -4.581 18514
481 1 2 . 1 1 38 38 CYS CA C 45 61.886 61.886 57.533 4.353 18514
482 1 2 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.506 4.116 18514
483 1 2 . 1 1 38 38 CYS H H 45 7.641 7.641 7.735 -0.094 18514
484 1 2 . 1 1 39 39 HIS N N 46 118.156 118.156 119.028 -0.872 18514
485 1 2 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.768 0.282 18514
486 1 2 . 1 1 39 39 HIS C C 46 174.223 174.223 175.373 -1.150 18514
487 1 2 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.709 -1.220 18514
488 1 2 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.537 0.151 18514
489 1 2 . 1 1 39 39 HIS H H 46 8.234 8.234 8.690 -0.456 18514
490 1 2 . 1 1 40 40 CYS N N 47 118.354 118.354 117.771 0.583 18514
491 1 2 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.859 -0.037 18514
492 1 2 . 1 1 40 40 CYS C C 47 176.296 176.296 175.044 1.252 18514
493 1 2 . 1 1 40 40 CYS CA C 47 55.596 55.596 57.159 -1.563 18514
494 1 2 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.696 5.542 18514
495 1 2 . 1 1 40 40 CYS H H 47 7.403 7.403 7.914 -0.511 18514
496 1 2 . 1 1 41 41 VAL N N 48 118.968 118.968 123.613 -4.645 18514
497 1 2 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.255 -0.024 18514
498 1 2 . 1 1 41 41 VAL C C 48 174.265 174.265 176.386 -2.121 18514
499 1 2 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.561 -0.330 18514
500 1 2 . 1 1 41 41 VAL CB C 48 34.698 34.698 32.820 1.878 18514
501 1 2 . 1 1 41 41 VAL H H 48 8.205 8.205 8.924 -0.719 18514
502 1 2 . 1 1 42 42 GLY N N 49 115.726 115.726 114.627 1.099 18514
503 1 2 . 1 1 42 42 GLY C C 49 174.223 174.223 174.023 0.200 18514
504 1 2 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.305 0.808 18514
505 1 2 . 1 1 42 42 GLY H H 49 8.634 8.634 8.585 0.049 18514
506 1 2 . 1 1 43 43 CYS N N 50 119.917 119.917 119.861 0.056 18514
507 1 2 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.440 -1.283 18514
508 1 2 . 1 1 43 43 CYS C C 50 173.428 173.428 174.675 -1.247 18514
509 1 2 . 1 1 43 43 CYS CA C 50 63.346 63.346 57.956 5.390 18514
510 1 2 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.274 6.852 18514
511 1 2 . 1 1 43 43 CYS H H 50 7.670 7.670 8.326 -0.656 18514
512 1 2 . 1 1 44 44 LYS N N 51 128.057 128.057 130.140 -2.083 18514
513 1 2 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.409 0.189 18514
514 1 2 . 1 1 44 44 LYS C C 51 171.776 171.776 174.779 -3.003 18514
515 1 2 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.738 -0.702 18514
516 1 2 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.542 -0.817 18514
517 1 2 . 1 1 44 44 LYS H H 51 7.934 7.934 8.191 -0.257 18514
518 1 2 . 1 1 45 45 ASN N N 52 125.259 125.259 123.297 1.962 18514
519 1 2 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.145 -0.378 18514
520 1 2 . 1 1 45 45 ASN C C 52 171.776 171.776 173.962 -2.186 18514
521 1 2 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.990 2.260 18514
522 1 2 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.814 -0.294 18514
523 1 2 . 1 1 45 45 ASN H H 52 9.076 9.076 8.310 0.766 18514
524 1 2 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.300 0.163 18514
525 1 2 . 1 1 46 46 PRO CA C 53 63.131 63.131 64.172 -1.041 18514
526 1 2 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.133 0.198 18514
527 1 2 . 1 1 47 47 HIS N N 54 121.186 121.186 118.841 2.345 18514
528 1 2 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.620 -0.106 18514
529 1 2 . 1 1 47 47 HIS C C 54 172.204 172.204 174.573 -2.369 18514
530 1 2 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.371 0.933 18514
531 1 2 . 1 1 47 47 HIS CB C 54 27.908 27.908 28.930 -1.022 18514
532 1 2 . 1 1 47 47 HIS H H 54 8.236 8.236 8.764 -0.528 18514
533 1 2 . 1 1 48 48 LYS N N 55 123.556 123.556 126.177 -2.621 18514
534 1 2 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.492 -0.031 18514
535 1 2 . 1 1 48 48 LYS C C 55 175.066 175.066 175.765 -0.699 18514
536 1 2 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.904 0.416 18514
537 1 2 . 1 1 48 48 LYS CB C 55 34.106 34.106 31.953 2.152 18514
538 1 2 . 1 1 48 48 LYS H H 55 8.470 8.470 8.114 0.356 18514
539 1 2 . 1 1 49 49 GLU N N 56 121.100 121.100 127.152 -6.052 18514
540 1 2 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.384 -0.033 18514
541 1 2 . 1 1 49 49 GLU C C 56 173.210 173.210 174.924 -1.714 18514
542 1 2 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.065 0.298 18514
543 1 2 . 1 1 49 49 GLU CB C 56 30.623 30.623 29.537 1.086 18514
544 1 2 . 1 1 49 49 GLU H H 56 8.523 8.523 8.464 0.059 18514
545 1 2 . 1 1 50 50 ASP N N 57 121.579 121.579 123.647 -2.068 18514
546 1 2 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.594 0.075 18514
547 1 2 . 1 1 50 50 ASP C C 57 173.845 173.845 174.870 -1.025 18514
548 1 2 . 1 1 50 50 ASP CA C 57 54.291 54.291 54.029 0.262 18514
549 1 2 . 1 1 50 50 ASP CB C 57 41.452 41.452 42.801 -1.349 18514
550 1 2 . 1 1 50 50 ASP H H 57 8.396 8.396 7.905 0.491 18514
551 1 2 . 1 1 51 51 TYR N N 58 120.844 120.844 122.826 -1.982 18514
552 1 2 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.627 -0.110 18514
553 1 2 . 1 1 51 51 TYR C C 58 173.968 173.968 174.459 -0.491 18514
554 1 2 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.404 0.392 18514
555 1 2 . 1 1 51 51 TYR CB C 58 38.958 38.958 36.748 2.211 18514
556 1 2 . 1 1 51 51 TYR H H 58 8.176 8.176 8.132 0.044 18514
557 1 3 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.702 0.081 18514
558 1 3 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.106 -0.299 18514
559 1 3 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.484 -0.693 18514
560 1 3 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.408 -0.005 18514
561 1 3 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.698 0.036 18514
562 1 3 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.307 -0.419 18514
563 1 3 . 1 1 4 4 LYS N N 11 124.307 124.307 122.004 2.303 18514
564 1 3 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.395 0.120 18514
565 1 3 . 1 1 4 4 LYS C C 11 173.272 173.272 175.154 -1.882 18514
566 1 3 . 1 1 4 4 LYS CA C 11 54.281 54.281 54.318 -0.037 18514
567 1 3 . 1 1 4 4 LYS CB C 11 31.920 31.920 31.783 0.137 18514
568 1 3 . 1 1 4 4 LYS H H 11 8.380 8.380 8.411 -0.031 18514
569 1 3 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.390 0.046 18514
570 1 3 . 1 1 5 5 PRO C C 12 127.380 127.380 175.799 -48.419 18514
571 1 3 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.738 0.055 18514
572 1 3 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.368 -0.286 18514
573 1 3 . 1 1 6 6 LYS N N 13 118.851 118.851 121.022 -2.171 18514
574 1 3 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.645 0.502 18514
575 1 3 . 1 1 6 6 LYS C C 13 173.408 173.408 175.748 -2.340 18514
576 1 3 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.470 -0.013 18514
577 1 3 . 1 1 6 6 LYS CB C 13 34.841 34.841 33.762 1.079 18514
578 1 3 . 1 1 6 6 LYS H H 13 8.064 8.064 8.282 -0.218 18514
579 1 3 . 1 1 7 7 CYS N N 14 127.385 127.385 119.488 7.897 18514
580 1 3 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.896 0.332 18514
581 1 3 . 1 1 7 7 CYS C C 14 173.408 173.408 174.055 -0.647 18514
582 1 3 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.434 0.158 18514
583 1 3 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.514 3.347 18514
584 1 3 . 1 1 7 7 CYS H H 14 9.943 9.943 8.551 1.392 18514
585 1 3 . 1 1 8 8 ARG N N 15 117.940 117.940 119.824 -1.884 18514
586 1 3 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.687 -0.341 18514
587 1 3 . 1 1 8 8 ARG C C 15 175.808 175.808 175.862 -0.054 18514
588 1 3 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.280 -0.909 18514
589 1 3 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.472 0.259 18514
590 1 3 . 1 1 8 8 ARG H H 15 8.835 8.835 8.613 0.222 18514
591 1 3 . 1 1 9 9 CYS N N 16 122.323 122.323 118.019 4.304 18514
592 1 3 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.890 -0.866 18514
593 1 3 . 1 1 9 9 CYS C C 16 174.360 174.360 176.382 -2.022 18514
594 1 3 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.505 -0.266 18514
595 1 3 . 1 1 9 9 CYS CB C 16 32.451 32.451 25.709 6.742 18514
596 1 3 . 1 1 9 9 CYS H H 16 7.433 7.433 8.359 -0.926 18514
597 1 3 . 1 1 10 10 GLY N N 17 108.065 108.065 115.398 -7.333 18514
598 1 3 . 1 1 10 10 GLY C C 17 174.518 174.518 175.055 -0.537 18514
599 1 3 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.954 -0.394 18514
600 1 3 . 1 1 10 10 GLY H H 17 8.788 8.788 9.041 -0.253 18514
601 1 3 . 1 1 11 11 ILE N N 18 118.990 118.990 122.175 -3.185 18514
602 1 3 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.111 -0.134 18514
603 1 3 . 1 1 11 11 ILE C C 18 173.820 173.820 177.051 -3.231 18514
604 1 3 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.689 -0.099 18514
605 1 3 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.733 -0.009 18514
606 1 3 . 1 1 11 11 ILE H H 18 7.557 7.557 7.753 -0.196 18514
607 1 3 . 1 1 12 12 SER N N 19 116.128 116.128 112.970 3.158 18514
608 1 3 . 1 1 12 12 SER HA H 19 4.510 4.510 4.592 -0.082 18514
609 1 3 . 1 1 12 12 SER C C 19 172.948 172.948 175.662 -2.714 18514
610 1 3 . 1 1 12 12 SER CA C 19 58.200 58.200 58.884 -0.684 18514
611 1 3 . 1 1 12 12 SER CB C 19 63.800 63.800 65.560 -1.760 18514
612 1 3 . 1 1 12 12 SER H H 19 8.418 8.418 7.710 0.708 18514
613 1 3 . 1 1 13 13 GLY N N 20 110.984 110.984 110.378 0.606 18514
614 1 3 . 1 1 13 13 GLY C C 20 172.948 172.948 173.027 -0.079 18514
615 1 3 . 1 1 13 13 GLY CA C 20 45.398 45.398 44.975 0.423 18514
616 1 3 . 1 1 13 13 GLY H H 20 8.243 8.243 7.641 0.602 18514
617 1 3 . 1 1 14 14 SER N N 21 114.951 114.951 115.787 -0.836 18514
618 1 3 . 1 1 14 14 SER HA H 21 4.535 4.535 4.145 0.390 18514
619 1 3 . 1 1 14 14 SER C C 21 175.376 175.376 174.801 0.575 18514
620 1 3 . 1 1 14 14 SER CA C 21 57.930 57.930 58.801 -0.871 18514
621 1 3 . 1 1 14 14 SER CB C 21 64.080 64.080 63.463 0.617 18514
622 1 3 . 1 1 14 14 SER H H 21 8.250 8.250 8.533 -0.283 18514
623 1 3 . 1 1 15 15 SER N N 22 118.334 118.334 118.998 -0.664 18514
624 1 3 . 1 1 15 15 SER HA H 22 4.449 4.449 4.226 0.223 18514
625 1 3 . 1 1 15 15 SER C C 22 174.863 174.863 175.238 -0.375 18514
626 1 3 . 1 1 15 15 SER CA C 22 57.767 57.767 60.303 -2.535 18514
627 1 3 . 1 1 15 15 SER CB C 22 63.598 63.598 63.727 -0.129 18514
628 1 3 . 1 1 15 15 SER H H 22 8.427 8.427 8.760 -0.333 18514
629 1 3 . 1 1 16 16 ASN N N 23 120.784 120.784 121.064 -0.280 18514
630 1 3 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.712 0.098 18514
631 1 3 . 1 1 16 16 ASN C C 23 175.364 175.364 175.152 0.212 18514
632 1 3 . 1 1 16 16 ASN CA C 23 53.174 53.174 54.107 -0.933 18514
633 1 3 . 1 1 16 16 ASN CB C 23 38.467 38.467 38.392 0.075 18514
634 1 3 . 1 1 16 16 ASN H H 23 8.453 8.453 8.167 0.286 18514
635 1 3 . 1 1 17 17 THR N N 24 115.660 115.660 118.632 -2.972 18514
636 1 3 . 1 1 17 17 THR HA H 24 4.346 4.346 4.262 0.084 18514
637 1 3 . 1 1 17 17 THR C C 24 173.428 173.428 174.955 -1.527 18514
638 1 3 . 1 1 17 17 THR CA C 24 62.126 62.126 64.482 -2.356 18514
639 1 3 . 1 1 17 17 THR CB C 24 68.777 68.777 69.168 -0.392 18514
640 1 3 . 1 1 17 17 THR H H 24 8.417 8.417 8.583 -0.166 18514
641 1 3 . 1 1 18 18 LEU N N 25 121.190 121.190 118.796 2.394 18514
642 1 3 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.542 -0.248 18514
643 1 3 . 1 1 18 18 LEU C C 25 173.951 173.951 176.749 -2.798 18514
644 1 3 . 1 1 18 18 LEU CA C 25 56.248 56.248 55.889 0.360 18514
645 1 3 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.525 -0.218 18514
646 1 3 . 1 1 18 18 LEU H H 25 8.218 8.218 7.728 0.490 18514
647 1 3 . 1 1 19 19 THR N N 26 106.988 106.988 113.975 -6.987 18514
648 1 3 . 1 1 19 19 THR HA H 26 4.230 4.230 4.485 -0.255 18514
649 1 3 . 1 1 19 19 THR C C 26 171.429 171.429 175.982 -4.553 18514
650 1 3 . 1 1 19 19 THR CA C 26 60.631 60.631 61.911 -1.280 18514
651 1 3 . 1 1 19 19 THR CB C 26 68.296 68.296 68.694 -0.398 18514
652 1 3 . 1 1 19 19 THR H H 26 7.791 7.791 7.819 -0.028 18514
653 1 3 . 1 1 20 20 THR N N 27 121.441 121.441 117.475 3.966 18514
654 1 3 . 1 1 20 20 THR HA H 27 3.976 3.976 4.177 -0.201 18514
655 1 3 . 1 1 20 20 THR C C 27 175.121 175.121 175.438 -0.317 18514
656 1 3 . 1 1 20 20 THR CA C 27 68.900 68.900 65.530 3.370 18514
657 1 3 . 1 1 20 20 THR CB C 27 65.100 65.100 68.305 -3.205 18514
658 1 3 . 1 1 20 20 THR H H 27 7.370 7.370 8.421 -1.051 18514
659 1 3 . 1 1 21 21 CYS N N 28 121.174 121.174 117.316 3.858 18514
660 1 3 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.543 -0.533 18514
661 1 3 . 1 1 21 21 CYS C C 28 174.930 174.930 175.430 -0.500 18514
662 1 3 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.729 1.080 18514
663 1 3 . 1 1 21 21 CYS CB C 28 31.757 31.757 25.882 5.875 18514
664 1 3 . 1 1 21 21 CYS H H 28 9.321 9.321 8.422 0.899 18514
665 1 3 . 1 1 22 22 ARG N N 29 115.643 115.643 120.723 -5.080 18514
666 1 3 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.147 -0.924 18514
667 1 3 . 1 1 22 22 ARG C C 29 177.619 177.619 174.163 3.456 18514
668 1 3 . 1 1 22 22 ARG CA C 29 52.830 52.830 55.544 -2.714 18514
669 1 3 . 1 1 22 22 ARG CB C 29 31.268 31.268 29.790 1.478 18514
670 1 3 . 1 1 22 22 ARG H H 29 7.880 7.880 7.597 0.283 18514
671 1 3 . 1 1 23 23 ASN N N 30 113.854 113.854 113.312 0.542 18514
672 1 3 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.548 0.038 18514
673 1 3 . 1 1 23 23 ASN C C 30 174.972 174.972 175.483 -0.511 18514
674 1 3 . 1 1 23 23 ASN CA C 30 51.476 51.476 50.845 0.631 18514
675 1 3 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.953 0.401 18514
676 1 3 . 1 1 23 23 ASN H H 30 6.816 6.816 7.105 -0.289 18514
677 1 3 . 1 1 24 24 SER N N 31 113.788 113.788 114.883 -1.095 18514
678 1 3 . 1 1 24 24 SER HA H 31 4.172 4.172 4.315 -0.143 18514
679 1 3 . 1 1 24 24 SER C C 31 174.820 174.820 175.074 -0.254 18514
680 1 3 . 1 1 24 24 SER CA C 31 61.080 61.080 61.344 -0.264 18514
681 1 3 . 1 1 24 24 SER CB C 31 63.425 63.425 62.514 0.910 18514
682 1 3 . 1 1 24 24 SER H H 31 8.873 8.873 8.785 0.088 18514
683 1 3 . 1 1 25 25 ARG N N 32 119.696 119.696 118.022 1.674 18514
684 1 3 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.487 -0.280 18514
685 1 3 . 1 1 25 25 ARG C C 32 175.482 175.482 176.403 -0.921 18514
686 1 3 . 1 1 25 25 ARG CA C 32 57.018 57.018 54.418 2.600 18514
687 1 3 . 1 1 25 25 ARG CB C 32 29.732 29.732 29.963 -0.231 18514
688 1 3 . 1 1 25 25 ARG H H 32 8.104 8.104 8.038 0.066 18514
689 1 3 . 1 1 26 26 CYS N N 33 123.061 123.061 122.373 0.688 18514
690 1 3 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.876 -0.189 18514
691 1 3 . 1 1 26 26 CYS C C 33 173.064 173.064 173.795 -0.731 18514
692 1 3 . 1 1 26 26 CYS CA C 33 55.700 55.700 56.416 -0.716 18514
693 1 3 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.194 3.760 18514
694 1 3 . 1 1 26 26 CYS H H 33 7.766 7.766 7.773 -0.007 18514
695 1 3 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.232 0.060 18514
696 1 3 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.118 -0.852 18514
697 1 3 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.651 0.507 18514
698 1 3 . 1 1 28 28 CYS N N 35 129.050 129.050 116.187 12.863 18514
699 1 3 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.151 -0.521 18514
700 1 3 . 1 1 28 28 CYS C C 35 171.254 171.254 176.680 -5.426 18514
701 1 3 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.405 -0.820 18514
702 1 3 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.694 3.553 18514
703 1 3 . 1 1 28 28 CYS H H 35 8.368 8.368 7.960 0.408 18514
704 1 3 . 1 1 29 29 TYR N N 36 124.364 124.364 121.691 2.673 18514
705 1 3 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.101 -0.042 18514
706 1 3 . 1 1 29 29 TYR C C 36 172.650 172.650 178.052 -5.402 18514
707 1 3 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.466 0.655 18514
708 1 3 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.352 -0.431 18514
709 1 3 . 1 1 29 29 TYR H H 36 8.197 8.197 7.730 0.467 18514
710 1 3 . 1 1 30 30 LYS N N 37 117.214 117.214 118.929 -1.715 18514
711 1 3 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.717 0.062 18514
712 1 3 . 1 1 30 30 LYS C C 37 172.650 172.650 177.425 -4.775 18514
713 1 3 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.395 0.001 18514
714 1 3 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.322 0.310 18514
715 1 3 . 1 1 30 30 LYS H H 37 8.441 8.441 8.163 0.278 18514
716 1 3 . 1 1 31 31 SER N N 38 109.671 109.671 112.500 -2.829 18514
717 1 3 . 1 1 31 31 SER HA H 38 4.348 4.348 4.262 0.086 18514
718 1 3 . 1 1 31 31 SER C C 38 173.566 173.566 173.729 -0.163 18514
719 1 3 . 1 1 31 31 SER CA C 38 56.469 56.469 58.071 -1.602 18514
720 1 3 . 1 1 31 31 SER CB C 38 63.461 63.461 63.779 -0.318 18514
721 1 3 . 1 1 31 31 SER H H 38 7.180 7.180 7.375 -0.195 18514
722 1 3 . 1 1 32 32 TYR N N 39 116.096 116.096 115.521 0.575 18514
723 1 3 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.353 -0.266 18514
724 1 3 . 1 1 32 32 TYR C C 39 176.728 176.728 173.844 2.884 18514
725 1 3 . 1 1 32 32 TYR CA C 39 58.616 58.616 58.953 -0.337 18514
726 1 3 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.976 -0.426 18514
727 1 3 . 1 1 32 32 TYR H H 39 7.410 7.410 7.093 0.317 18514
728 1 3 . 1 1 33 33 ASN N N 40 116.549 116.549 116.596 -0.047 18514
729 1 3 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.958 0.045 18514
730 1 3 . 1 1 33 33 ASN C C 40 176.083 176.083 173.941 2.142 18514
731 1 3 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.042 0.102 18514
732 1 3 . 1 1 33 33 ASN CB C 40 43.554 43.554 42.088 1.466 18514
733 1 3 . 1 1 33 33 ASN H H 40 8.257 8.257 7.887 0.370 18514
734 1 3 . 1 1 34 34 SER N N 41 115.071 115.071 114.095 0.976 18514
735 1 3 . 1 1 34 34 SER HA H 41 4.477 4.477 4.951 -0.474 18514
736 1 3 . 1 1 34 34 SER C C 41 174.850 174.850 174.851 -0.001 18514
737 1 3 . 1 1 34 34 SER CA C 41 57.625 57.625 57.304 0.321 18514
738 1 3 . 1 1 34 34 SER CB C 41 65.000 65.000 65.169 -0.169 18514
739 1 3 . 1 1 34 34 SER H H 41 8.720 8.720 8.379 0.341 18514
740 1 3 . 1 1 35 35 CYS N N 42 115.950 115.950 121.690 -5.740 18514
741 1 3 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.642 1.038 18514
742 1 3 . 1 1 35 35 CYS C C 42 174.850 174.850 174.640 0.210 18514
743 1 3 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.631 1.153 18514
744 1 3 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.651 7.297 18514
745 1 3 . 1 1 35 35 CYS H H 42 8.696 8.696 8.937 -0.241 18514
746 1 3 . 1 1 36 36 ALA N N 43 124.417 124.417 126.872 -2.455 18514
747 1 3 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.468 -0.251 18514
748 1 3 . 1 1 36 36 ALA C C 43 173.572 173.572 177.610 -4.038 18514
749 1 3 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.600 2.729 18514
750 1 3 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.831 -0.996 18514
751 1 3 . 1 1 36 36 ALA H H 43 8.002 8.002 7.772 0.230 18514
752 1 3 . 1 1 37 37 GLY N N 44 113.524 113.524 111.761 1.763 18514
753 1 3 . 1 1 37 37 GLY C C 44 170.263 170.263 174.435 -4.172 18514
754 1 3 . 1 1 37 37 GLY CA C 44 45.717 45.717 45.135 0.582 18514
755 1 3 . 1 1 37 37 GLY H H 44 8.932 8.932 8.821 0.111 18514
756 1 3 . 1 1 38 38 CYS N N 45 120.184 120.184 118.225 1.959 18514
757 1 3 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.666 -0.590 18514
758 1 3 . 1 1 38 38 CYS C C 45 170.263 170.263 174.991 -4.728 18514
759 1 3 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.654 3.232 18514
760 1 3 . 1 1 38 38 CYS CB C 45 33.622 33.622 28.756 4.866 18514
761 1 3 . 1 1 38 38 CYS H H 45 7.641 7.641 7.855 -0.214 18514
762 1 3 . 1 1 39 39 HIS N N 46 118.156 118.156 119.400 -1.244 18514
763 1 3 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.761 0.289 18514
764 1 3 . 1 1 39 39 HIS C C 46 174.223 174.223 175.258 -1.035 18514
765 1 3 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.487 -0.999 18514
766 1 3 . 1 1 39 39 HIS CB C 46 29.688 29.688 30.657 -0.970 18514
767 1 3 . 1 1 39 39 HIS H H 46 8.234 8.234 9.061 -0.827 18514
768 1 3 . 1 1 40 40 CYS N N 47 118.354 118.354 117.185 1.169 18514
769 1 3 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.816 0.006 18514
770 1 3 . 1 1 40 40 CYS C C 47 176.296 176.296 174.334 1.962 18514
771 1 3 . 1 1 40 40 CYS CA C 47 55.596 55.596 57.124 -1.528 18514
772 1 3 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.717 5.521 18514
773 1 3 . 1 1 40 40 CYS H H 47 7.403 7.403 7.734 -0.331 18514
774 1 3 . 1 1 41 41 VAL N N 48 118.968 118.968 123.425 -4.457 18514
775 1 3 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.226 0.005 18514
776 1 3 . 1 1 41 41 VAL C C 48 174.265 174.265 176.258 -1.993 18514
777 1 3 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.444 -0.213 18514
778 1 3 . 1 1 41 41 VAL CB C 48 34.698 34.698 32.723 1.975 18514
779 1 3 . 1 1 41 41 VAL H H 48 8.205 8.205 8.809 -0.604 18514
780 1 3 . 1 1 42 42 GLY N N 49 115.726 115.726 115.850 -0.124 18514
781 1 3 . 1 1 42 42 GLY C C 49 174.223 174.223 174.029 0.194 18514
782 1 3 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.326 0.787 18514
783 1 3 . 1 1 42 42 GLY H H 49 8.634 8.634 8.703 -0.069 18514
784 1 3 . 1 1 43 43 CYS N N 50 119.917 119.917 117.645 2.272 18514
785 1 3 . 1 1 43 43 CYS HA H 50 3.157 3.157 5.258 -2.101 18514
786 1 3 . 1 1 43 43 CYS C C 50 173.428 173.428 175.627 -2.199 18514
787 1 3 . 1 1 43 43 CYS CA C 50 63.346 63.346 55.850 7.495 18514
788 1 3 . 1 1 43 43 CYS CB C 50 33.126 33.126 28.992 4.134 18514
789 1 3 . 1 1 43 43 CYS H H 50 7.670 7.670 8.130 -0.460 18514
790 1 3 . 1 1 44 44 LYS N N 51 128.057 128.057 127.799 0.258 18514
791 1 3 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.381 0.217 18514
792 1 3 . 1 1 44 44 LYS C C 51 171.776 171.776 175.108 -3.332 18514
793 1 3 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.786 -0.750 18514
794 1 3 . 1 1 44 44 LYS CB C 51 31.725 31.725 31.698 0.027 18514
795 1 3 . 1 1 44 44 LYS H H 51 7.934 7.934 8.208 -0.274 18514
796 1 3 . 1 1 45 45 ASN N N 52 125.259 125.259 123.173 2.086 18514
797 1 3 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.145 -0.378 18514
798 1 3 . 1 1 45 45 ASN C C 52 171.776 171.776 174.609 -2.833 18514
799 1 3 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.970 2.280 18514
800 1 3 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.340 0.180 18514
801 1 3 . 1 1 45 45 ASN H H 52 9.076 9.076 8.220 0.857 18514
802 1 3 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.274 0.189 18514
803 1 3 . 1 1 46 46 PRO CA C 53 63.131 63.131 64.433 -1.302 18514
804 1 3 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.216 0.115 18514
805 1 3 . 1 1 47 47 HIS N N 54 121.186 121.186 118.260 2.926 18514
806 1 3 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.719 -0.205 18514
807 1 3 . 1 1 47 47 HIS C C 54 172.204 172.204 174.003 -1.799 18514
808 1 3 . 1 1 47 47 HIS CA C 54 56.304 56.304 56.110 0.194 18514
809 1 3 . 1 1 47 47 HIS CB C 54 27.908 27.908 28.745 -0.838 18514
810 1 3 . 1 1 47 47 HIS H H 54 8.236 8.236 8.880 -0.644 18514
811 1 3 . 1 1 48 48 LYS N N 55 123.556 123.556 123.674 -0.118 18514
812 1 3 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.550 -0.089 18514
813 1 3 . 1 1 48 48 LYS C C 55 175.066 175.066 175.965 -0.899 18514
814 1 3 . 1 1 48 48 LYS CA C 55 55.320 55.320 55.189 0.131 18514
815 1 3 . 1 1 48 48 LYS CB C 55 34.106 34.106 33.490 0.616 18514
816 1 3 . 1 1 48 48 LYS H H 55 8.470 8.470 8.078 0.392 18514
817 1 3 . 1 1 49 49 GLU N N 56 121.100 121.100 121.055 0.045 18514
818 1 3 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.138 0.213 18514
819 1 3 . 1 1 49 49 GLU C C 56 173.210 173.210 176.203 -2.993 18514
820 1 3 . 1 1 49 49 GLU CA C 56 56.363 56.363 58.338 -1.975 18514
821 1 3 . 1 1 49 49 GLU CB C 56 30.623 30.623 29.974 0.648 18514
822 1 3 . 1 1 49 49 GLU H H 56 8.523 8.523 8.109 0.414 18514
823 1 3 . 1 1 50 50 ASP N N 57 121.579 121.579 121.575 0.004 18514
824 1 3 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.304 0.365 18514
825 1 3 . 1 1 50 50 ASP C C 57 173.845 173.845 175.192 -1.347 18514
826 1 3 . 1 1 50 50 ASP CA C 57 54.291 54.291 56.152 -1.861 18514
827 1 3 . 1 1 50 50 ASP CB C 57 41.452 41.452 40.259 1.193 18514
828 1 3 . 1 1 50 50 ASP H H 57 8.396 8.396 8.990 -0.594 18514
829 1 3 . 1 1 51 51 TYR N N 58 120.844 120.844 121.402 -0.558 18514
830 1 3 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.633 -0.116 18514
831 1 3 . 1 1 51 51 TYR C C 58 173.968 173.968 175.264 -1.296 18514
832 1 3 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.502 0.294 18514
833 1 3 . 1 1 51 51 TYR CB C 58 38.958 38.958 38.119 0.839 18514
834 1 3 . 1 1 51 51 TYR H H 58 8.176 8.176 7.399 0.777 18514
835 1 4 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.770 0.013 18514
836 1 4 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.325 -0.518 18514
837 1 4 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.641 -0.850 18514
838 1 4 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.500 -0.097 18514
839 1 4 . 1 1 3 3 PRO CA C 10 62.734 62.734 63.426 -0.692 18514
840 1 4 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.074 -0.186 18514
841 1 4 . 1 1 4 4 LYS N N 11 124.307 124.307 123.457 0.850 18514
842 1 4 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.657 -0.142 18514
843 1 4 . 1 1 4 4 LYS C C 11 173.272 173.272 174.037 -0.765 18514
844 1 4 . 1 1 4 4 LYS CA C 11 54.281 54.281 53.461 0.820 18514
845 1 4 . 1 1 4 4 LYS CB C 11 31.920 31.920 33.198 -1.278 18514
846 1 4 . 1 1 4 4 LYS H H 11 8.380 8.380 7.971 0.409 18514
847 1 4 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.400 0.036 18514
848 1 4 . 1 1 5 5 PRO C C 12 127.380 127.380 175.961 -48.581 18514
849 1 4 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.642 0.151 18514
850 1 4 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.173 -0.091 18514
851 1 4 . 1 1 6 6 LYS N N 13 118.851 118.851 120.309 -1.458 18514
852 1 4 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.511 0.636 18514
853 1 4 . 1 1 6 6 LYS C C 13 173.408 173.408 175.775 -2.367 18514
854 1 4 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.838 -0.381 18514
855 1 4 . 1 1 6 6 LYS CB C 13 34.841 34.841 33.172 1.669 18514
856 1 4 . 1 1 6 6 LYS H H 13 8.064 8.064 8.044 0.020 18514
857 1 4 . 1 1 7 7 CYS N N 14 127.385 127.385 121.406 5.979 18514
858 1 4 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.713 0.515 18514
859 1 4 . 1 1 7 7 CYS C C 14 173.408 173.408 175.280 -1.872 18514
860 1 4 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.978 -0.386 18514
861 1 4 . 1 1 7 7 CYS CB C 14 34.861 34.861 30.768 4.093 18514
862 1 4 . 1 1 7 7 CYS H H 14 9.943 9.943 8.525 1.418 18514
863 1 4 . 1 1 8 8 ARG N N 15 117.940 117.940 121.464 -3.524 18514
864 1 4 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.718 -0.372 18514
865 1 4 . 1 1 8 8 ARG C C 15 175.808 175.808 175.371 0.437 18514
866 1 4 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.362 -0.991 18514
867 1 4 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.461 0.270 18514
868 1 4 . 1 1 8 8 ARG H H 15 8.835 8.835 8.481 0.354 18514
869 1 4 . 1 1 9 9 CYS N N 16 122.323 122.323 117.853 4.470 18514
870 1 4 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.418 -0.394 18514
871 1 4 . 1 1 9 9 CYS C C 16 174.360 174.360 175.850 -1.490 18514
872 1 4 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.807 -0.569 18514
873 1 4 . 1 1 9 9 CYS CB C 16 32.451 32.451 27.000 5.452 18514
874 1 4 . 1 1 9 9 CYS H H 16 7.433 7.433 8.403 -0.970 18514
875 1 4 . 1 1 10 10 GLY N N 17 108.065 108.065 113.346 -5.281 18514
876 1 4 . 1 1 10 10 GLY C C 17 174.518 174.518 175.852 -1.334 18514
877 1 4 . 1 1 10 10 GLY CA C 17 45.560 45.560 46.097 -0.537 18514
878 1 4 . 1 1 10 10 GLY H H 17 8.788 8.788 8.543 0.245 18514
879 1 4 . 1 1 11 11 ILE N N 18 118.990 118.990 121.711 -2.721 18514
880 1 4 . 1 1 11 11 ILE HA H 18 3.977 3.977 3.939 0.037 18514
881 1 4 . 1 1 11 11 ILE C C 18 173.820 173.820 176.471 -2.651 18514
882 1 4 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.731 -0.141 18514
883 1 4 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.338 0.386 18514
884 1 4 . 1 1 11 11 ILE H H 18 7.557 7.557 7.658 -0.101 18514
885 1 4 . 1 1 12 12 SER N N 19 116.128 116.128 112.158 3.970 18514
886 1 4 . 1 1 12 12 SER HA H 19 4.510 4.510 4.595 -0.085 18514
887 1 4 . 1 1 12 12 SER C C 19 172.948 172.948 174.562 -1.614 18514
888 1 4 . 1 1 12 12 SER CA C 19 58.200 58.200 57.310 0.890 18514
889 1 4 . 1 1 12 12 SER CB C 19 63.800 63.800 64.810 -1.010 18514
890 1 4 . 1 1 12 12 SER H H 19 8.418 8.418 7.591 0.827 18514
891 1 4 . 1 1 13 13 GLY N N 20 110.984 110.984 113.242 -2.258 18514
892 1 4 . 1 1 13 13 GLY C C 20 172.948 172.948 173.648 -0.700 18514
893 1 4 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.261 0.137 18514
894 1 4 . 1 1 13 13 GLY H H 20 8.243 8.243 8.690 -0.447 18514
895 1 4 . 1 1 14 14 SER N N 21 114.951 114.951 116.467 -1.516 18514
896 1 4 . 1 1 14 14 SER HA H 21 4.535 4.535 4.680 -0.145 18514
897 1 4 . 1 1 14 14 SER C C 21 175.376 175.376 172.822 2.554 18514
898 1 4 . 1 1 14 14 SER CA C 21 57.930 57.930 57.037 0.893 18514
899 1 4 . 1 1 14 14 SER CB C 21 64.080 64.080 64.101 -0.021 18514
900 1 4 . 1 1 14 14 SER H H 21 8.250 8.250 7.871 0.379 18514
901 1 4 . 1 1 15 15 SER N N 22 118.334 118.334 121.633 -3.299 18514
902 1 4 . 1 1 15 15 SER HA H 22 4.449 4.449 4.672 -0.223 18514
903 1 4 . 1 1 15 15 SER C C 22 174.863 174.863 173.826 1.037 18514
904 1 4 . 1 1 15 15 SER CA C 22 57.767 57.767 57.788 -0.021 18514
905 1 4 . 1 1 15 15 SER CB C 22 63.598 63.598 62.562 1.036 18514
906 1 4 . 1 1 15 15 SER H H 22 8.427 8.427 8.602 -0.175 18514
907 1 4 . 1 1 16 16 ASN N N 23 120.784 120.784 123.499 -2.715 18514
908 1 4 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.895 -0.085 18514
909 1 4 . 1 1 16 16 ASN C C 23 175.364 175.364 174.498 0.866 18514
910 1 4 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.280 -0.106 18514
911 1 4 . 1 1 16 16 ASN CB C 23 38.467 38.467 41.022 -2.554 18514
912 1 4 . 1 1 16 16 ASN H H 23 8.453 8.453 7.939 0.514 18514
913 1 4 . 1 1 17 17 THR N N 24 115.660 115.660 118.501 -2.841 18514
914 1 4 . 1 1 17 17 THR HA H 24 4.346 4.346 4.582 -0.236 18514
915 1 4 . 1 1 17 17 THR C C 24 173.428 173.428 174.526 -1.098 18514
916 1 4 . 1 1 17 17 THR CA C 24 62.126 62.126 63.033 -0.907 18514
917 1 4 . 1 1 17 17 THR CB C 24 68.777 68.777 69.252 -0.475 18514
918 1 4 . 1 1 17 17 THR H H 24 8.417 8.417 8.691 -0.274 18514
919 1 4 . 1 1 18 18 LEU N N 25 121.190 121.190 121.069 0.121 18514
920 1 4 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.373 -0.079 18514
921 1 4 . 1 1 18 18 LEU C C 25 173.951 173.951 177.052 -3.101 18514
922 1 4 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.705 -0.457 18514
923 1 4 . 1 1 18 18 LEU CB C 25 42.307 42.307 43.136 -0.829 18514
924 1 4 . 1 1 18 18 LEU H H 25 8.218 8.218 8.126 0.092 18514
925 1 4 . 1 1 19 19 THR N N 26 106.988 106.988 106.909 0.079 18514
926 1 4 . 1 1 19 19 THR HA H 26 4.230 4.230 4.513 -0.283 18514
927 1 4 . 1 1 19 19 THR C C 26 171.429 171.429 175.477 -4.048 18514
928 1 4 . 1 1 19 19 THR CA C 26 60.631 60.631 60.970 -0.339 18514
929 1 4 . 1 1 19 19 THR CB C 26 68.296 68.296 70.399 -2.103 18514
930 1 4 . 1 1 19 19 THR H H 26 7.791 7.791 8.619 -0.828 18514
931 1 4 . 1 1 20 20 THR N N 27 121.441 121.441 119.833 1.608 18514
932 1 4 . 1 1 20 20 THR HA H 27 3.976 3.976 3.916 0.060 18514
933 1 4 . 1 1 20 20 THR C C 27 175.121 175.121 176.301 -1.180 18514
934 1 4 . 1 1 20 20 THR CA C 27 68.900 68.900 66.451 2.450 18514
935 1 4 . 1 1 20 20 THR CB C 27 65.100 65.100 68.702 -3.602 18514
936 1 4 . 1 1 20 20 THR H H 27 7.370 7.370 7.885 -0.515 18514
937 1 4 . 1 1 21 21 CYS N N 28 121.174 121.174 115.612 5.562 18514
938 1 4 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.542 -0.531 18514
939 1 4 . 1 1 21 21 CYS C C 28 174.930 174.930 175.688 -0.758 18514
940 1 4 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.859 0.950 18514
941 1 4 . 1 1 21 21 CYS CB C 28 31.757 31.757 25.865 5.892 18514
942 1 4 . 1 1 21 21 CYS H H 28 9.321 9.321 8.398 0.923 18514
943 1 4 . 1 1 22 22 ARG N N 29 115.643 115.643 119.975 -4.332 18514
944 1 4 . 1 1 22 22 ARG HA H 29 3.223 3.223 3.790 -0.567 18514
945 1 4 . 1 1 22 22 ARG C C 29 177.619 177.619 175.231 2.388 18514
946 1 4 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.733 -3.903 18514
947 1 4 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.525 0.743 18514
948 1 4 . 1 1 22 22 ARG H H 29 7.880 7.880 7.544 0.336 18514
949 1 4 . 1 1 23 23 ASN N N 30 113.854 113.854 116.207 -2.353 18514
950 1 4 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.769 -0.183 18514
951 1 4 . 1 1 23 23 ASN C C 30 174.972 174.972 175.843 -0.871 18514
952 1 4 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.708 -0.232 18514
953 1 4 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.399 0.954 18514
954 1 4 . 1 1 23 23 ASN H H 30 6.816 6.816 7.502 -0.686 18514
955 1 4 . 1 1 24 24 SER N N 31 113.788 113.788 113.362 0.426 18514
956 1 4 . 1 1 24 24 SER HA H 31 4.172 4.172 4.394 -0.222 18514
957 1 4 . 1 1 24 24 SER C C 31 174.820 174.820 174.582 0.238 18514
958 1 4 . 1 1 24 24 SER CA C 31 61.080 61.080 60.664 0.416 18514
959 1 4 . 1 1 24 24 SER CB C 31 63.425 63.425 62.656 0.769 18514
960 1 4 . 1 1 24 24 SER H H 31 8.873 8.873 8.761 0.112 18514
961 1 4 . 1 1 25 25 ARG N N 32 119.696 119.696 118.862 0.834 18514
962 1 4 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.444 -0.237 18514
963 1 4 . 1 1 25 25 ARG C C 32 175.482 175.482 176.215 -0.733 18514
964 1 4 . 1 1 25 25 ARG CA C 32 57.018 57.018 54.963 2.055 18514
965 1 4 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.030 -0.298 18514
966 1 4 . 1 1 25 25 ARG H H 32 8.104 8.104 8.074 0.030 18514
967 1 4 . 1 1 26 26 CYS N N 33 123.061 123.061 122.337 0.724 18514
968 1 4 . 1 1 26 26 CYS HA H 33 4.687 4.687 5.060 -0.373 18514
969 1 4 . 1 1 26 26 CYS C C 33 173.064 173.064 173.485 -0.421 18514
970 1 4 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.614 0.086 18514
971 1 4 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.872 3.082 18514
972 1 4 . 1 1 26 26 CYS H H 33 7.766 7.766 7.814 -0.048 18514
973 1 4 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.330 -0.038 18514
974 1 4 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.065 -0.799 18514
975 1 4 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.532 0.626 18514
976 1 4 . 1 1 28 28 CYS N N 35 129.050 129.050 116.441 12.609 18514
977 1 4 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.199 -0.569 18514
978 1 4 . 1 1 28 28 CYS C C 35 171.254 171.254 176.637 -5.383 18514
979 1 4 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.389 -0.804 18514
980 1 4 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.928 3.319 18514
981 1 4 . 1 1 28 28 CYS H H 35 8.368 8.368 7.841 0.527 18514
982 1 4 . 1 1 29 29 TYR N N 36 124.364 124.364 121.827 2.537 18514
983 1 4 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.285 -0.225 18514
984 1 4 . 1 1 29 29 TYR C C 36 172.650 172.650 178.237 -5.587 18514
985 1 4 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.497 0.624 18514
986 1 4 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.320 -0.399 18514
987 1 4 . 1 1 29 29 TYR H H 36 8.197 8.197 7.817 0.380 18514
988 1 4 . 1 1 30 30 LYS N N 37 117.214 117.214 118.653 -1.439 18514
989 1 4 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.890 -0.111 18514
990 1 4 . 1 1 30 30 LYS C C 37 172.650 172.650 177.358 -4.708 18514
991 1 4 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.132 0.264 18514
992 1 4 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.248 0.384 18514
993 1 4 . 1 1 30 30 LYS H H 37 8.441 8.441 8.018 0.423 18514
994 1 4 . 1 1 31 31 SER N N 38 109.671 109.671 113.613 -3.942 18514
995 1 4 . 1 1 31 31 SER HA H 38 4.348 4.348 4.270 0.078 18514
996 1 4 . 1 1 31 31 SER C C 38 173.566 173.566 173.275 0.291 18514
997 1 4 . 1 1 31 31 SER CA C 38 56.469 56.469 57.796 -1.327 18514
998 1 4 . 1 1 31 31 SER CB C 38 63.461 63.461 63.439 0.022 18514
999 1 4 . 1 1 31 31 SER H H 38 7.180 7.180 7.430 -0.250 18514
1000 1 4 . 1 1 32 32 TYR N N 39 116.096 116.096 113.972 2.124 18514
1001 1 4 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.490 -0.403 18514
1002 1 4 . 1 1 32 32 TYR C C 39 176.728 176.728 174.412 2.316 18514
1003 1 4 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.178 -0.562 18514
1004 1 4 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.804 -0.254 18514
1005 1 4 . 1 1 32 32 TYR H H 39 7.410 7.410 7.280 0.130 18514
1006 1 4 . 1 1 33 33 ASN N N 40 116.549 116.549 116.698 -0.149 18514
1007 1 4 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.847 0.156 18514
1008 1 4 . 1 1 33 33 ASN C C 40 176.083 176.083 174.079 2.004 18514
1009 1 4 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.730 -0.586 18514
1010 1 4 . 1 1 33 33 ASN CB C 40 43.554 43.554 40.861 2.693 18514
1011 1 4 . 1 1 33 33 ASN H H 40 8.257 8.257 7.938 0.319 18514
1012 1 4 . 1 1 34 34 SER N N 41 115.071 115.071 114.352 0.719 18514
1013 1 4 . 1 1 34 34 SER HA H 41 4.477 4.477 4.653 -0.176 18514
1014 1 4 . 1 1 34 34 SER C C 41 174.850 174.850 173.794 1.056 18514
1015 1 4 . 1 1 34 34 SER CA C 41 57.625 57.625 57.301 0.324 18514
1016 1 4 . 1 1 34 34 SER CB C 41 65.000 65.000 65.285 -0.285 18514
1017 1 4 . 1 1 34 34 SER H H 41 8.720 8.720 8.457 0.263 18514
1018 1 4 . 1 1 35 35 CYS N N 42 115.950 115.950 118.860 -2.910 18514
1019 1 4 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.863 0.817 18514
1020 1 4 . 1 1 35 35 CYS C C 42 174.850 174.850 175.033 -0.183 18514
1021 1 4 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.227 1.557 18514
1022 1 4 . 1 1 35 35 CYS CB C 42 31.948 31.948 26.341 5.607 18514
1023 1 4 . 1 1 35 35 CYS H H 42 8.696 8.696 8.927 -0.231 18514
1024 1 4 . 1 1 36 36 ALA N N 43 124.417 124.417 123.719 0.698 18514
1025 1 4 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.205 0.012 18514
1026 1 4 . 1 1 36 36 ALA C C 43 173.572 173.572 177.357 -3.785 18514
1027 1 4 . 1 1 36 36 ALA CA C 43 54.329 54.329 52.803 1.526 18514
1028 1 4 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.109 -0.274 18514
1029 1 4 . 1 1 36 36 ALA H H 43 8.002 8.002 8.205 -0.203 18514
1030 1 4 . 1 1 37 37 GLY N N 44 113.524 113.524 111.384 2.140 18514
1031 1 4 . 1 1 37 37 GLY C C 44 170.263 170.263 174.308 -4.045 18514
1032 1 4 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.680 1.037 18514
1033 1 4 . 1 1 37 37 GLY H H 44 8.932 8.932 8.373 0.559 18514
1034 1 4 . 1 1 38 38 CYS N N 45 120.184 120.184 118.308 1.876 18514
1035 1 4 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.806 -0.730 18514
1036 1 4 . 1 1 38 38 CYS C C 45 170.263 170.263 174.724 -4.461 18514
1037 1 4 . 1 1 38 38 CYS CA C 45 61.886 61.886 57.945 3.941 18514
1038 1 4 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.593 4.029 18514
1039 1 4 . 1 1 38 38 CYS H H 45 7.641 7.641 7.657 -0.016 18514
1040 1 4 . 1 1 39 39 HIS N N 46 118.156 118.156 118.575 -0.419 18514
1041 1 4 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.794 0.256 18514
1042 1 4 . 1 1 39 39 HIS C C 46 174.223 174.223 174.700 -0.477 18514
1043 1 4 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.639 -1.150 18514
1044 1 4 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.644 0.044 18514
1045 1 4 . 1 1 39 39 HIS H H 46 8.234 8.234 9.064 -0.830 18514
1046 1 4 . 1 1 40 40 CYS N N 47 118.354 118.354 117.677 0.677 18514
1047 1 4 . 1 1 40 40 CYS HA H 47 4.822 4.822 5.308 -0.486 18514
1048 1 4 . 1 1 40 40 CYS C C 47 176.296 176.296 174.601 1.695 18514
1049 1 4 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.585 -0.989 18514
1050 1 4 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.511 5.727 18514
1051 1 4 . 1 1 40 40 CYS H H 47 7.403 7.403 7.952 -0.549 18514
1052 1 4 . 1 1 41 41 VAL N N 48 118.968 118.968 124.643 -5.675 18514
1053 1 4 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.264 -0.033 18514
1054 1 4 . 1 1 41 41 VAL C C 48 174.265 174.265 176.096 -1.831 18514
1055 1 4 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.432 -0.201 18514
1056 1 4 . 1 1 41 41 VAL CB C 48 34.698 34.698 33.306 1.392 18514
1057 1 4 . 1 1 41 41 VAL H H 48 8.205 8.205 8.932 -0.727 18514
1058 1 4 . 1 1 42 42 GLY N N 49 115.726 115.726 114.008 1.718 18514
1059 1 4 . 1 1 42 42 GLY C C 49 174.223 174.223 174.010 0.213 18514
1060 1 4 . 1 1 42 42 GLY CA C 49 46.113 46.113 44.890 1.223 18514
1061 1 4 . 1 1 42 42 GLY H H 49 8.634 8.634 8.629 0.005 18514
1062 1 4 . 1 1 43 43 CYS N N 50 119.917 119.917 120.221 -0.304 18514
1063 1 4 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.390 -1.233 18514
1064 1 4 . 1 1 43 43 CYS C C 50 173.428 173.428 174.605 -1.177 18514
1065 1 4 . 1 1 43 43 CYS CA C 50 63.346 63.346 58.618 4.728 18514
1066 1 4 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.015 7.111 18514
1067 1 4 . 1 1 43 43 CYS H H 50 7.670 7.670 8.362 -0.692 18514
1068 1 4 . 1 1 44 44 LYS N N 51 128.057 128.057 130.528 -2.471 18514
1069 1 4 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.403 0.195 18514
1070 1 4 . 1 1 44 44 LYS C C 51 171.776 171.776 174.700 -2.924 18514
1071 1 4 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.504 -0.468 18514
1072 1 4 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.297 -0.572 18514
1073 1 4 . 1 1 44 44 LYS H H 51 7.934 7.934 8.101 -0.167 18514
1074 1 4 . 1 1 45 45 ASN N N 52 125.259 125.259 122.848 2.411 18514
1075 1 4 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.107 -0.340 18514
1076 1 4 . 1 1 45 45 ASN C C 52 171.776 171.776 173.984 -2.208 18514
1077 1 4 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.938 2.312 18514
1078 1 4 . 1 1 45 45 ASN CB C 52 39.520 39.520 40.073 -0.553 18514
1079 1 4 . 1 1 45 45 ASN H H 52 9.076 9.076 8.224 0.852 18514
1080 1 4 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.313 0.150 18514
1081 1 4 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.811 -0.680 18514
1082 1 4 . 1 1 46 46 PRO CB C 53 32.331 32.331 31.781 0.550 18514
1083 1 4 . 1 1 47 47 HIS N N 54 121.186 121.186 118.714 2.472 18514
1084 1 4 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.731 -0.217 18514
1085 1 4 . 1 1 47 47 HIS C C 54 172.204 172.204 175.115 -2.911 18514
1086 1 4 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.900 0.404 18514
1087 1 4 . 1 1 47 47 HIS CB C 54 27.908 27.908 31.076 -3.168 18514
1088 1 4 . 1 1 47 47 HIS H H 54 8.236 8.236 7.964 0.272 18514
1089 1 4 . 1 1 48 48 LYS N N 55 123.556 123.556 124.234 -0.678 18514
1090 1 4 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.351 0.110 18514
1091 1 4 . 1 1 48 48 LYS C C 55 175.066 175.066 176.446 -1.380 18514
1092 1 4 . 1 1 48 48 LYS CA C 55 55.320 55.320 56.495 -1.175 18514
1093 1 4 . 1 1 48 48 LYS CB C 55 34.106 34.106 33.368 0.738 18514
1094 1 4 . 1 1 48 48 LYS H H 55 8.470 8.470 8.584 -0.114 18514
1095 1 4 . 1 1 49 49 GLU N N 56 121.100 121.100 119.996 1.104 18514
1096 1 4 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.321 0.030 18514
1097 1 4 . 1 1 49 49 GLU C C 56 173.210 173.210 176.243 -3.033 18514
1098 1 4 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.201 0.162 18514
1099 1 4 . 1 1 49 49 GLU CB C 56 30.623 30.623 30.126 0.497 18514
1100 1 4 . 1 1 49 49 GLU H H 56 8.523 8.523 8.468 0.055 18514
1101 1 4 . 1 1 50 50 ASP N N 57 121.579 121.579 120.738 0.841 18514
1102 1 4 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.563 0.106 18514
1103 1 4 . 1 1 50 50 ASP C C 57 173.845 173.845 175.935 -2.090 18514
1104 1 4 . 1 1 50 50 ASP CA C 57 54.291 54.291 54.881 -0.590 18514
1105 1 4 . 1 1 50 50 ASP CB C 57 41.452 41.452 41.276 0.176 18514
1106 1 4 . 1 1 50 50 ASP H H 57 8.396 8.396 8.396 -0.000 18514
1107 1 4 . 1 1 51 51 TYR N N 58 120.844 120.844 119.694 1.150 18514
1108 1 4 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.841 -0.324 18514
1109 1 4 . 1 1 51 51 TYR C C 58 173.968 173.968 174.718 -0.750 18514
1110 1 4 . 1 1 51 51 TYR CA C 58 57.796 57.796 56.558 1.238 18514
1111 1 4 . 1 1 51 51 TYR CB C 58 38.958 38.958 37.070 1.888 18514
1112 1 4 . 1 1 51 51 TYR H H 58 8.176 8.176 8.180 -0.004 18514
1113 1 5 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.894 -0.111 18514
1114 1 5 . 1 1 2 2 PRO CA C 9 61.807 61.807 61.917 -0.110 18514
1115 1 5 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.716 -0.925 18514
1116 1 5 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.528 -0.125 18514
1117 1 5 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.951 -0.217 18514
1118 1 5 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.182 -0.294 18514
1119 1 5 . 1 1 4 4 LYS N N 11 124.307 124.307 125.655 -1.348 18514
1120 1 5 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.744 -0.229 18514
1121 1 5 . 1 1 4 4 LYS C C 11 173.272 173.272 174.511 -1.239 18514
1122 1 5 . 1 1 4 4 LYS CA C 11 54.281 54.281 53.964 0.317 18514
1123 1 5 . 1 1 4 4 LYS CB C 11 31.920 31.920 33.144 -1.224 18514
1124 1 5 . 1 1 4 4 LYS H H 11 8.380 8.380 8.244 0.136 18514
1125 1 5 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.433 0.003 18514
1126 1 5 . 1 1 5 5 PRO C C 12 127.380 127.380 175.674 -48.294 18514
1127 1 5 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.662 0.131 18514
1128 1 5 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.224 -0.142 18514
1129 1 5 . 1 1 6 6 LYS N N 13 118.851 118.851 121.902 -3.051 18514
1130 1 5 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.639 0.508 18514
1131 1 5 . 1 1 6 6 LYS C C 13 173.408 173.408 176.321 -2.913 18514
1132 1 5 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.631 -0.174 18514
1133 1 5 . 1 1 6 6 LYS CB C 13 34.841 34.841 32.336 2.505 18514
1134 1 5 . 1 1 6 6 LYS H H 13 8.064 8.064 8.261 -0.197 18514
1135 1 5 . 1 1 7 7 CYS N N 14 127.385 127.385 122.300 5.085 18514
1136 1 5 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.772 0.456 18514
1137 1 5 . 1 1 7 7 CYS C C 14 173.408 173.408 175.283 -1.875 18514
1138 1 5 . 1 1 7 7 CYS CA C 14 56.592 56.592 57.967 -1.375 18514
1139 1 5 . 1 1 7 7 CYS CB C 14 34.861 34.861 29.096 5.765 18514
1140 1 5 . 1 1 7 7 CYS H H 14 9.943 9.943 8.718 1.225 18514
1141 1 5 . 1 1 8 8 ARG N N 15 117.940 117.940 120.576 -2.636 18514
1142 1 5 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.604 -0.258 18514
1143 1 5 . 1 1 8 8 ARG C C 15 175.808 175.808 176.275 -0.467 18514
1144 1 5 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.152 -0.781 18514
1145 1 5 . 1 1 8 8 ARG CB C 15 30.731 30.731 29.500 1.231 18514
1146 1 5 . 1 1 8 8 ARG H H 15 8.835 8.835 8.494 0.341 18514
1147 1 5 . 1 1 9 9 CYS N N 16 122.323 122.323 117.348 4.975 18514
1148 1 5 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.145 -0.121 18514
1149 1 5 . 1 1 9 9 CYS C C 16 174.360 174.360 176.472 -2.112 18514
1150 1 5 . 1 1 9 9 CYS CA C 16 60.239 60.239 61.721 -1.482 18514
1151 1 5 . 1 1 9 9 CYS CB C 16 32.451 32.451 26.579 5.872 18514
1152 1 5 . 1 1 9 9 CYS H H 16 7.433 7.433 8.238 -0.805 18514
1153 1 5 . 1 1 10 10 GLY N N 17 108.065 108.065 114.012 -5.947 18514
1154 1 5 . 1 1 10 10 GLY C C 17 174.518 174.518 175.110 -0.592 18514
1155 1 5 . 1 1 10 10 GLY CA C 17 45.560 45.560 46.292 -0.732 18514
1156 1 5 . 1 1 10 10 GLY H H 17 8.788 8.788 8.867 -0.079 18514
1157 1 5 . 1 1 11 11 ILE N N 18 118.990 118.990 121.586 -2.596 18514
1158 1 5 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.112 -0.135 18514
1159 1 5 . 1 1 11 11 ILE C C 18 173.820 173.820 177.265 -3.445 18514
1160 1 5 . 1 1 11 11 ILE CA C 18 63.590 63.590 62.953 0.638 18514
1161 1 5 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.603 0.120 18514
1162 1 5 . 1 1 11 11 ILE H H 18 7.557 7.557 7.593 -0.036 18514
1163 1 5 . 1 1 12 12 SER N N 19 116.128 116.128 115.196 0.932 18514
1164 1 5 . 1 1 12 12 SER HA H 19 4.510 4.510 4.368 0.142 18514
1165 1 5 . 1 1 12 12 SER C C 19 172.948 172.948 174.630 -1.682 18514
1166 1 5 . 1 1 12 12 SER CA C 19 58.200 58.200 59.859 -1.659 18514
1167 1 5 . 1 1 12 12 SER CB C 19 63.800 63.800 64.023 -0.223 18514
1168 1 5 . 1 1 12 12 SER H H 19 8.418 8.418 8.128 0.290 18514
1169 1 5 . 1 1 13 13 GLY N N 20 110.984 110.984 108.479 2.505 18514
1170 1 5 . 1 1 13 13 GLY C C 20 172.948 172.948 172.131 0.817 18514
1171 1 5 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.442 -0.044 18514
1172 1 5 . 1 1 13 13 GLY H H 20 8.243 8.243 7.602 0.641 18514
1173 1 5 . 1 1 14 14 SER N N 21 114.951 114.951 115.753 -0.802 18514
1174 1 5 . 1 1 14 14 SER HA H 21 4.535 4.535 4.901 -0.366 18514
1175 1 5 . 1 1 14 14 SER C C 21 175.376 175.376 174.084 1.292 18514
1176 1 5 . 1 1 14 14 SER CA C 21 57.930 57.930 58.012 -0.082 18514
1177 1 5 . 1 1 14 14 SER CB C 21 64.080 64.080 64.766 -0.686 18514
1178 1 5 . 1 1 14 14 SER H H 21 8.250 8.250 8.341 -0.091 18514
1179 1 5 . 1 1 15 15 SER N N 22 118.334 118.334 119.268 -0.934 18514
1180 1 5 . 1 1 15 15 SER HA H 22 4.449 4.449 4.470 -0.021 18514
1181 1 5 . 1 1 15 15 SER C C 22 174.863 174.863 174.564 0.299 18514
1182 1 5 . 1 1 15 15 SER CA C 22 57.767 57.767 59.659 -1.892 18514
1183 1 5 . 1 1 15 15 SER CB C 22 63.598 63.598 63.660 -0.062 18514
1184 1 5 . 1 1 15 15 SER H H 22 8.427 8.427 8.541 -0.114 18514
1185 1 5 . 1 1 16 16 ASN N N 23 120.784 120.784 117.677 3.107 18514
1186 1 5 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.855 -0.045 18514
1187 1 5 . 1 1 16 16 ASN C C 23 175.364 175.364 174.638 0.726 18514
1188 1 5 . 1 1 16 16 ASN CA C 23 53.174 53.174 52.842 0.332 18514
1189 1 5 . 1 1 16 16 ASN CB C 23 38.467 38.467 40.143 -1.676 18514
1190 1 5 . 1 1 16 16 ASN H H 23 8.453 8.453 7.923 0.530 18514
1191 1 5 . 1 1 17 17 THR N N 24 115.660 115.660 118.672 -3.012 18514
1192 1 5 . 1 1 17 17 THR HA H 24 4.346 4.346 4.218 0.128 18514
1193 1 5 . 1 1 17 17 THR C C 24 173.428 173.428 175.148 -1.720 18514
1194 1 5 . 1 1 17 17 THR CA C 24 62.126 62.126 65.092 -2.966 18514
1195 1 5 . 1 1 17 17 THR CB C 24 68.777 68.777 68.845 -0.068 18514
1196 1 5 . 1 1 17 17 THR H H 24 8.417 8.417 8.742 -0.325 18514
1197 1 5 . 1 1 18 18 LEU N N 25 121.190 121.190 119.664 1.526 18514
1198 1 5 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.452 -0.158 18514
1199 1 5 . 1 1 18 18 LEU C C 25 173.951 173.951 176.375 -2.424 18514
1200 1 5 . 1 1 18 18 LEU CA C 25 56.248 56.248 55.585 0.663 18514
1201 1 5 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.164 0.143 18514
1202 1 5 . 1 1 18 18 LEU H H 25 8.218 8.218 7.719 0.499 18514
1203 1 5 . 1 1 19 19 THR N N 26 106.988 106.988 111.866 -4.878 18514
1204 1 5 . 1 1 19 19 THR HA H 26 4.230 4.230 4.482 -0.252 18514
1205 1 5 . 1 1 19 19 THR C C 26 171.429 171.429 174.479 -3.050 18514
1206 1 5 . 1 1 19 19 THR CA C 26 60.631 60.631 61.691 -1.060 18514
1207 1 5 . 1 1 19 19 THR CB C 26 68.296 68.296 69.951 -1.655 18514
1208 1 5 . 1 1 19 19 THR H H 26 7.791 7.791 7.857 -0.066 18514
1209 1 5 . 1 1 20 20 THR N N 27 121.441 121.441 119.615 1.826 18514
1210 1 5 . 1 1 20 20 THR HA H 27 3.976 3.976 3.974 0.002 18514
1211 1 5 . 1 1 20 20 THR C C 27 175.121 175.121 175.929 -0.808 18514
1212 1 5 . 1 1 20 20 THR CA C 27 68.900 68.900 66.804 2.096 18514
1213 1 5 . 1 1 20 20 THR CB C 27 65.100 65.100 68.913 -3.813 18514
1214 1 5 . 1 1 20 20 THR H H 27 7.370 7.370 8.234 -0.864 18514
1215 1 5 . 1 1 21 21 CYS N N 28 121.174 121.174 115.291 5.883 18514
1216 1 5 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.527 -0.517 18514
1217 1 5 . 1 1 21 21 CYS C C 28 174.930 174.930 175.447 -0.517 18514
1218 1 5 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.787 1.022 18514
1219 1 5 . 1 1 21 21 CYS CB C 28 31.757 31.757 25.899 5.857 18514
1220 1 5 . 1 1 21 21 CYS H H 28 9.321 9.321 8.520 0.801 18514
1221 1 5 . 1 1 22 22 ARG N N 29 115.643 115.643 119.895 -4.252 18514
1222 1 5 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.146 -0.923 18514
1223 1 5 . 1 1 22 22 ARG C C 29 177.619 177.619 174.323 3.296 18514
1224 1 5 . 1 1 22 22 ARG CA C 29 52.830 52.830 55.715 -2.885 18514
1225 1 5 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.142 1.126 18514
1226 1 5 . 1 1 22 22 ARG H H 29 7.880 7.880 7.478 0.402 18514
1227 1 5 . 1 1 23 23 ASN N N 30 113.854 113.854 115.960 -2.106 18514
1228 1 5 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.539 0.047 18514
1229 1 5 . 1 1 23 23 ASN C C 30 174.972 174.972 175.810 -0.838 18514
1230 1 5 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.445 0.031 18514
1231 1 5 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.380 0.973 18514
1232 1 5 . 1 1 23 23 ASN H H 30 6.816 6.816 7.326 -0.510 18514
1233 1 5 . 1 1 24 24 SER N N 31 113.788 113.788 114.400 -0.612 18514
1234 1 5 . 1 1 24 24 SER HA H 31 4.172 4.172 4.319 -0.147 18514
1235 1 5 . 1 1 24 24 SER C C 31 174.820 174.820 175.202 -0.382 18514
1236 1 5 . 1 1 24 24 SER CA C 31 61.080 61.080 61.608 -0.528 18514
1237 1 5 . 1 1 24 24 SER CB C 31 63.425 63.425 62.817 0.608 18514
1238 1 5 . 1 1 24 24 SER H H 31 8.873 8.873 8.702 0.171 18514
1239 1 5 . 1 1 25 25 ARG N N 32 119.696 119.696 118.630 1.066 18514
1240 1 5 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.336 -0.129 18514
1241 1 5 . 1 1 25 25 ARG C C 32 175.482 175.482 176.169 -0.687 18514
1242 1 5 . 1 1 25 25 ARG CA C 32 57.018 57.018 56.318 0.700 18514
1243 1 5 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.464 -0.732 18514
1244 1 5 . 1 1 25 25 ARG H H 32 8.104 8.104 8.092 0.012 18514
1245 1 5 . 1 1 26 26 CYS N N 33 123.061 123.061 121.835 1.226 18514
1246 1 5 . 1 1 26 26 CYS HA H 33 4.687 4.687 5.039 -0.352 18514
1247 1 5 . 1 1 26 26 CYS C C 33 173.064 173.064 173.794 -0.730 18514
1248 1 5 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.683 0.017 18514
1249 1 5 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.857 3.097 18514
1250 1 5 . 1 1 26 26 CYS H H 33 7.766 7.766 7.893 -0.127 18514
1251 1 5 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.421 -0.129 18514
1252 1 5 . 1 1 27 27 PRO CA C 34 64.266 64.266 64.868 -0.602 18514
1253 1 5 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.361 0.797 18514
1254 1 5 . 1 1 28 28 CYS N N 35 129.050 129.050 116.232 12.818 18514
1255 1 5 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.306 -0.676 18514
1256 1 5 . 1 1 28 28 CYS C C 35 171.254 171.254 176.446 -5.192 18514
1257 1 5 . 1 1 28 28 CYS CA C 35 62.585 62.585 62.966 -0.381 18514
1258 1 5 . 1 1 28 28 CYS CB C 35 29.247 29.247 26.574 2.673 18514
1259 1 5 . 1 1 28 28 CYS H H 35 8.368 8.368 7.682 0.686 18514
1260 1 5 . 1 1 29 29 TYR N N 36 124.364 124.364 122.005 2.359 18514
1261 1 5 . 1 1 29 29 TYR HA H 36 4.060 4.060 3.879 0.181 18514
1262 1 5 . 1 1 29 29 TYR C C 36 172.650 172.650 177.796 -5.146 18514
1263 1 5 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.424 0.697 18514
1264 1 5 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.319 -0.398 18514
1265 1 5 . 1 1 29 29 TYR H H 36 8.197 8.197 7.910 0.287 18514
1266 1 5 . 1 1 30 30 LYS N N 37 117.214 117.214 119.024 -1.810 18514
1267 1 5 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.833 -0.054 18514
1268 1 5 . 1 1 30 30 LYS C C 37 172.650 172.650 176.824 -4.174 18514
1269 1 5 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.553 -0.157 18514
1270 1 5 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.472 0.160 18514
1271 1 5 . 1 1 30 30 LYS H H 37 8.441 8.441 7.933 0.508 18514
1272 1 5 . 1 1 31 31 SER N N 38 109.671 109.671 112.323 -2.652 18514
1273 1 5 . 1 1 31 31 SER HA H 38 4.348 4.348 4.377 -0.029 18514
1274 1 5 . 1 1 31 31 SER C C 38 173.566 173.566 173.403 0.163 18514
1275 1 5 . 1 1 31 31 SER CA C 38 56.469 56.469 58.046 -1.577 18514
1276 1 5 . 1 1 31 31 SER CB C 38 63.461 63.461 63.745 -0.284 18514
1277 1 5 . 1 1 31 31 SER H H 38 7.180 7.180 7.530 -0.350 18514
1278 1 5 . 1 1 32 32 TYR N N 39 116.096 116.096 116.895 -0.799 18514
1279 1 5 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.650 -0.563 18514
1280 1 5 . 1 1 32 32 TYR C C 39 176.728 176.728 174.720 2.008 18514
1281 1 5 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.182 -0.566 18514
1282 1 5 . 1 1 32 32 TYR CB C 39 34.550 34.550 35.512 -0.962 18514
1283 1 5 . 1 1 32 32 TYR H H 39 7.410 7.410 6.982 0.428 18514
1284 1 5 . 1 1 33 33 ASN N N 40 116.549 116.549 117.093 -0.544 18514
1285 1 5 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.956 0.047 18514
1286 1 5 . 1 1 33 33 ASN C C 40 176.083 176.083 174.240 1.843 18514
1287 1 5 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.426 -0.282 18514
1288 1 5 . 1 1 33 33 ASN CB C 40 43.554 43.554 40.859 2.695 18514
1289 1 5 . 1 1 33 33 ASN H H 40 8.257 8.257 8.181 0.076 18514
1290 1 5 . 1 1 34 34 SER N N 41 115.071 115.071 113.850 1.221 18514
1291 1 5 . 1 1 34 34 SER HA H 41 4.477 4.477 4.998 -0.521 18514
1292 1 5 . 1 1 34 34 SER C C 41 174.850 174.850 175.279 -0.429 18514
1293 1 5 . 1 1 34 34 SER CA C 41 57.625 57.625 57.463 0.162 18514
1294 1 5 . 1 1 34 34 SER CB C 41 65.000 65.000 65.121 -0.120 18514
1295 1 5 . 1 1 34 34 SER H H 41 8.720 8.720 8.255 0.465 18514
1296 1 5 . 1 1 35 35 CYS N N 42 115.950 115.950 124.082 -8.132 18514
1297 1 5 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.626 1.054 18514
1298 1 5 . 1 1 35 35 CYS C C 42 174.850 174.850 174.695 0.155 18514
1299 1 5 . 1 1 35 35 CYS CA C 42 59.784 59.784 59.095 0.689 18514
1300 1 5 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.539 7.409 18514
1301 1 5 . 1 1 35 35 CYS H H 42 8.696 8.696 8.648 0.048 18514
1302 1 5 . 1 1 36 36 ALA N N 43 124.417 124.417 125.912 -1.495 18514
1303 1 5 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.609 -0.392 18514
1304 1 5 . 1 1 36 36 ALA C C 43 173.572 173.572 176.646 -3.074 18514
1305 1 5 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.516 2.813 18514
1306 1 5 . 1 1 36 36 ALA CB C 43 17.835 17.835 20.210 -2.375 18514
1307 1 5 . 1 1 36 36 ALA H H 43 8.002 8.002 7.777 0.225 18514
1308 1 5 . 1 1 37 37 GLY N N 44 113.524 113.524 111.115 2.409 18514
1309 1 5 . 1 1 37 37 GLY C C 44 170.263 170.263 174.331 -4.068 18514
1310 1 5 . 1 1 37 37 GLY CA C 44 45.717 45.717 45.117 0.600 18514
1311 1 5 . 1 1 37 37 GLY H H 44 8.932 8.932 8.715 0.217 18514
1312 1 5 . 1 1 38 38 CYS N N 45 120.184 120.184 118.403 1.781 18514
1313 1 5 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.706 -0.630 18514
1314 1 5 . 1 1 38 38 CYS C C 45 170.263 170.263 175.341 -5.078 18514
1315 1 5 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.093 3.793 18514
1316 1 5 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.443 4.179 18514
1317 1 5 . 1 1 38 38 CYS H H 45 7.641 7.641 7.884 -0.243 18514
1318 1 5 . 1 1 39 39 HIS N N 46 118.156 118.156 118.699 -0.543 18514
1319 1 5 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.708 0.342 18514
1320 1 5 . 1 1 39 39 HIS C C 46 174.223 174.223 175.071 -0.848 18514
1321 1 5 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.281 -0.792 18514
1322 1 5 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.682 0.006 18514
1323 1 5 . 1 1 39 39 HIS H H 46 8.234 8.234 8.646 -0.412 18514
1324 1 5 . 1 1 40 40 CYS N N 47 118.354 118.354 116.923 1.431 18514
1325 1 5 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.930 -0.108 18514
1326 1 5 . 1 1 40 40 CYS C C 47 176.296 176.296 175.090 1.206 18514
1327 1 5 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.740 -1.144 18514
1328 1 5 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.127 6.111 18514
1329 1 5 . 1 1 40 40 CYS H H 47 7.403 7.403 7.934 -0.531 18514
1330 1 5 . 1 1 41 41 VAL N N 48 118.968 118.968 124.651 -5.683 18514
1331 1 5 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.200 0.031 18514
1332 1 5 . 1 1 41 41 VAL C C 48 174.265 174.265 176.293 -2.028 18514
1333 1 5 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.911 -0.680 18514
1334 1 5 . 1 1 41 41 VAL CB C 48 34.698 34.698 32.933 1.765 18514
1335 1 5 . 1 1 41 41 VAL H H 48 8.205 8.205 8.848 -0.643 18514
1336 1 5 . 1 1 42 42 GLY N N 49 115.726 115.726 114.971 0.755 18514
1337 1 5 . 1 1 42 42 GLY C C 49 174.223 174.223 173.617 0.606 18514
1338 1 5 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.120 0.993 18514
1339 1 5 . 1 1 42 42 GLY H H 49 8.634 8.634 8.669 -0.035 18514
1340 1 5 . 1 1 43 43 CYS N N 50 119.917 119.917 119.629 0.288 18514
1341 1 5 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.484 -1.327 18514
1342 1 5 . 1 1 43 43 CYS C C 50 173.428 173.428 174.527 -1.099 18514
1343 1 5 . 1 1 43 43 CYS CA C 50 63.346 63.346 58.100 5.246 18514
1344 1 5 . 1 1 43 43 CYS CB C 50 33.126 33.126 27.518 5.608 18514
1345 1 5 . 1 1 43 43 CYS H H 50 7.670 7.670 8.370 -0.700 18514
1346 1 5 . 1 1 44 44 LYS N N 51 128.057 128.057 129.270 -1.213 18514
1347 1 5 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.428 0.170 18514
1348 1 5 . 1 1 44 44 LYS C C 51 171.776 171.776 174.771 -2.995 18514
1349 1 5 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.989 -0.953 18514
1350 1 5 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.962 -1.237 18514
1351 1 5 . 1 1 44 44 LYS H H 51 7.934 7.934 8.511 -0.577 18514
1352 1 5 . 1 1 45 45 ASN N N 52 125.259 125.259 123.101 2.158 18514
1353 1 5 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.169 -0.402 18514
1354 1 5 . 1 1 45 45 ASN C C 52 171.776 171.776 174.361 -2.585 18514
1355 1 5 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.865 2.385 18514
1356 1 5 . 1 1 45 45 ASN CB C 52 39.520 39.520 40.347 -0.827 18514
1357 1 5 . 1 1 45 45 ASN H H 52 9.076 9.076 8.363 0.713 18514
1358 1 5 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.388 0.075 18514
1359 1 5 . 1 1 46 46 PRO CA C 53 63.131 63.131 64.037 -0.906 18514
1360 1 5 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.409 -0.078 18514
1361 1 5 . 1 1 47 47 HIS N N 54 121.186 121.186 119.711 1.475 18514
1362 1 5 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.864 -0.350 18514
1363 1 5 . 1 1 47 47 HIS C C 54 172.204 172.204 174.816 -2.612 18514
1364 1 5 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.173 1.131 18514
1365 1 5 . 1 1 47 47 HIS CB C 54 27.908 27.908 29.753 -1.845 18514
1366 1 5 . 1 1 47 47 HIS H H 54 8.236 8.236 8.908 -0.672 18514
1367 1 5 . 1 1 48 48 LYS N N 55 123.556 123.556 125.316 -1.760 18514
1368 1 5 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.657 -0.196 18514
1369 1 5 . 1 1 48 48 LYS C C 55 175.066 175.066 176.253 -1.187 18514
1370 1 5 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.283 1.037 18514
1371 1 5 . 1 1 48 48 LYS CB C 55 34.106 34.106 33.566 0.540 18514
1372 1 5 . 1 1 48 48 LYS H H 55 8.470 8.470 7.798 0.672 18514
1373 1 5 . 1 1 49 49 GLU N N 56 121.100 121.100 121.639 -0.539 18514
1374 1 5 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.361 -0.010 18514
1375 1 5 . 1 1 49 49 GLU C C 56 173.210 173.210 175.481 -2.271 18514
1376 1 5 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.382 -0.019 18514
1377 1 5 . 1 1 49 49 GLU CB C 56 30.623 30.623 29.737 0.886 18514
1378 1 5 . 1 1 49 49 GLU H H 56 8.523 8.523 8.675 -0.152 18514
1379 1 5 . 1 1 50 50 ASP N N 57 121.579 121.579 127.760 -6.181 18514
1380 1 5 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.759 -0.090 18514
1381 1 5 . 1 1 50 50 ASP C C 57 173.845 173.845 175.088 -1.243 18514
1382 1 5 . 1 1 50 50 ASP CA C 57 54.291 54.291 54.232 0.059 18514
1383 1 5 . 1 1 50 50 ASP CB C 57 41.452 41.452 41.524 -0.072 18514
1384 1 5 . 1 1 50 50 ASP H H 57 8.396 8.396 8.179 0.217 18514
1385 1 5 . 1 1 51 51 TYR N N 58 120.844 120.844 125.013 -4.169 18514
1386 1 5 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.792 -0.275 18514
1387 1 5 . 1 1 51 51 TYR C C 58 173.968 173.968 174.531 -0.563 18514
1388 1 5 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.026 0.770 18514
1389 1 5 . 1 1 51 51 TYR CB C 58 38.958 38.958 40.434 -1.476 18514
1390 1 5 . 1 1 51 51 TYR H H 58 8.176 8.176 8.381 -0.205 18514
1391 1 6 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.593 0.190 18514
1392 1 6 . 1 1 2 2 PRO CA C 9 61.807 61.807 61.827 -0.020 18514
1393 1 6 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.680 -0.889 18514
1394 1 6 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.431 -0.028 18514
1395 1 6 . 1 1 3 3 PRO CA C 10 62.734 62.734 63.346 -0.612 18514
1396 1 6 . 1 1 3 3 PRO CB C 10 31.888 31.888 31.745 0.142 18514
1397 1 6 . 1 1 4 4 LYS N N 11 124.307 124.307 123.293 1.014 18514
1398 1 6 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.809 -0.294 18514
1399 1 6 . 1 1 4 4 LYS C C 11 173.272 173.272 174.235 -0.963 18514
1400 1 6 . 1 1 4 4 LYS CA C 11 54.281 54.281 53.049 1.232 18514
1401 1 6 . 1 1 4 4 LYS CB C 11 31.920 31.920 33.135 -1.215 18514
1402 1 6 . 1 1 4 4 LYS H H 11 8.380 8.380 7.928 0.452 18514
1403 1 6 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.377 0.059 18514
1404 1 6 . 1 1 5 5 PRO C C 12 127.380 127.380 175.883 -48.503 18514
1405 1 6 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.602 0.191 18514
1406 1 6 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.169 -0.087 18514
1407 1 6 . 1 1 6 6 LYS N N 13 118.851 118.851 122.483 -3.632 18514
1408 1 6 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.568 0.579 18514
1409 1 6 . 1 1 6 6 LYS C C 13 173.408 173.408 176.493 -3.085 18514
1410 1 6 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.974 -0.517 18514
1411 1 6 . 1 1 6 6 LYS CB C 13 34.841 34.841 33.039 1.802 18514
1412 1 6 . 1 1 6 6 LYS H H 13 8.064 8.064 8.280 -0.216 18514
1413 1 6 . 1 1 7 7 CYS N N 14 127.385 127.385 122.008 5.377 18514
1414 1 6 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.738 0.490 18514
1415 1 6 . 1 1 7 7 CYS C C 14 173.408 173.408 175.261 -1.853 18514
1416 1 6 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.747 -0.155 18514
1417 1 6 . 1 1 7 7 CYS CB C 14 34.861 34.861 30.357 4.504 18514
1418 1 6 . 1 1 7 7 CYS H H 14 9.943 9.943 8.264 1.679 18514
1419 1 6 . 1 1 8 8 ARG N N 15 117.940 117.940 119.563 -1.623 18514
1420 1 6 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.562 -0.216 18514
1421 1 6 . 1 1 8 8 ARG C C 15 175.808 175.808 176.194 -0.386 18514
1422 1 6 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.066 -0.695 18514
1423 1 6 . 1 1 8 8 ARG CB C 15 30.731 30.731 29.539 1.192 18514
1424 1 6 . 1 1 8 8 ARG H H 15 8.835 8.835 8.459 0.376 18514
1425 1 6 . 1 1 9 9 CYS N N 16 122.323 122.323 117.997 4.326 18514
1426 1 6 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.906 -0.882 18514
1427 1 6 . 1 1 9 9 CYS C C 16 174.360 174.360 176.452 -2.092 18514
1428 1 6 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.520 -0.281 18514
1429 1 6 . 1 1 9 9 CYS CB C 16 32.451 32.451 26.241 6.210 18514
1430 1 6 . 1 1 9 9 CYS H H 16 7.433 7.433 8.293 -0.860 18514
1431 1 6 . 1 1 10 10 GLY N N 17 108.065 108.065 114.242 -6.177 18514
1432 1 6 . 1 1 10 10 GLY C C 17 174.518 174.518 175.276 -0.758 18514
1433 1 6 . 1 1 10 10 GLY CA C 17 45.560 45.560 46.306 -0.746 18514
1434 1 6 . 1 1 10 10 GLY H H 17 8.788 8.788 8.264 0.524 18514
1435 1 6 . 1 1 11 11 ILE N N 18 118.990 118.990 121.925 -2.935 18514
1436 1 6 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.097 -0.120 18514
1437 1 6 . 1 1 11 11 ILE C C 18 173.820 173.820 176.318 -2.498 18514
1438 1 6 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.173 0.417 18514
1439 1 6 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.840 -0.116 18514
1440 1 6 . 1 1 11 11 ILE H H 18 7.557 7.557 7.577 -0.020 18514
1441 1 6 . 1 1 12 12 SER N N 19 116.128 116.128 117.258 -1.130 18514
1442 1 6 . 1 1 12 12 SER HA H 19 4.510 4.510 4.666 -0.156 18514
1443 1 6 . 1 1 12 12 SER C C 19 172.948 172.948 173.082 -0.134 18514
1444 1 6 . 1 1 12 12 SER CA C 19 58.200 58.200 57.968 0.233 18514
1445 1 6 . 1 1 12 12 SER CB C 19 63.800 63.800 63.782 0.018 18514
1446 1 6 . 1 1 12 12 SER H H 19 8.418 8.418 8.450 -0.032 18514
1447 1 6 . 1 1 13 13 GLY N N 20 110.984 110.984 112.137 -1.153 18514
1448 1 6 . 1 1 13 13 GLY C C 20 172.948 172.948 174.662 -1.714 18514
1449 1 6 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.149 0.249 18514
1450 1 6 . 1 1 13 13 GLY H H 20 8.243 8.243 8.345 -0.102 18514
1451 1 6 . 1 1 14 14 SER N N 21 114.951 114.951 117.205 -2.254 18514
1452 1 6 . 1 1 14 14 SER HA H 21 4.535 4.535 4.421 0.114 18514
1453 1 6 . 1 1 14 14 SER C C 21 175.376 175.376 175.564 -0.188 18514
1454 1 6 . 1 1 14 14 SER CA C 21 57.930 57.930 59.074 -1.144 18514
1455 1 6 . 1 1 14 14 SER CB C 21 64.080 64.080 63.188 0.893 18514
1456 1 6 . 1 1 14 14 SER H H 21 8.250 8.250 8.240 0.010 18514
1457 1 6 . 1 1 15 15 SER N N 22 118.334 118.334 119.488 -1.154 18514
1458 1 6 . 1 1 15 15 SER HA H 22 4.449 4.449 4.536 -0.087 18514
1459 1 6 . 1 1 15 15 SER C C 22 174.863 174.863 172.975 1.888 18514
1460 1 6 . 1 1 15 15 SER CA C 22 57.767 57.767 57.815 -0.048 18514
1461 1 6 . 1 1 15 15 SER CB C 22 63.598 63.598 62.231 1.367 18514
1462 1 6 . 1 1 15 15 SER H H 22 8.427 8.427 8.055 0.372 18514
1463 1 6 . 1 1 16 16 ASN N N 23 120.784 120.784 118.174 2.610 18514
1464 1 6 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.513 0.297 18514
1465 1 6 . 1 1 16 16 ASN C C 23 175.364 175.364 175.969 -0.605 18514
1466 1 6 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.865 -0.691 18514
1467 1 6 . 1 1 16 16 ASN CB C 23 38.467 38.467 38.389 0.078 18514
1468 1 6 . 1 1 16 16 ASN H H 23 8.453 8.453 7.868 0.585 18514
1469 1 6 . 1 1 17 17 THR N N 24 115.660 115.660 113.025 2.635 18514
1470 1 6 . 1 1 17 17 THR HA H 24 4.346 4.346 4.116 0.230 18514
1471 1 6 . 1 1 17 17 THR C C 24 173.428 173.428 174.647 -1.219 18514
1472 1 6 . 1 1 17 17 THR CA C 24 62.126 62.126 64.263 -2.137 18514
1473 1 6 . 1 1 17 17 THR CB C 24 68.777 68.777 68.955 -0.178 18514
1474 1 6 . 1 1 17 17 THR H H 24 8.417 8.417 8.464 -0.047 18514
1475 1 6 . 1 1 18 18 LEU N N 25 121.190 121.190 119.657 1.533 18514
1476 1 6 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.514 -0.220 18514
1477 1 6 . 1 1 18 18 LEU C C 25 173.951 173.951 176.701 -2.750 18514
1478 1 6 . 1 1 18 18 LEU CA C 25 56.248 56.248 54.964 1.284 18514
1479 1 6 . 1 1 18 18 LEU CB C 25 42.307 42.307 41.333 0.974 18514
1480 1 6 . 1 1 18 18 LEU H H 25 8.218 8.218 7.760 0.458 18514
1481 1 6 . 1 1 19 19 THR N N 26 106.988 106.988 111.503 -4.515 18514
1482 1 6 . 1 1 19 19 THR HA H 26 4.230 4.230 4.607 -0.377 18514
1483 1 6 . 1 1 19 19 THR C C 26 171.429 171.429 175.582 -4.153 18514
1484 1 6 . 1 1 19 19 THR CA C 26 60.631 60.631 61.638 -1.007 18514
1485 1 6 . 1 1 19 19 THR CB C 26 68.296 68.296 69.986 -1.690 18514
1486 1 6 . 1 1 19 19 THR H H 26 7.791 7.791 7.551 0.240 18514
1487 1 6 . 1 1 20 20 THR N N 27 121.441 121.441 119.868 1.573 18514
1488 1 6 . 1 1 20 20 THR HA H 27 3.976 3.976 4.039 -0.063 18514
1489 1 6 . 1 1 20 20 THR C C 27 175.121 175.121 175.678 -0.557 18514
1490 1 6 . 1 1 20 20 THR CA C 27 68.900 68.900 66.317 2.583 18514
1491 1 6 . 1 1 20 20 THR CB C 27 65.100 65.100 68.361 -3.260 18514
1492 1 6 . 1 1 20 20 THR H H 27 7.370 7.370 8.382 -1.012 18514
1493 1 6 . 1 1 21 21 CYS N N 28 121.174 121.174 116.214 4.960 18514
1494 1 6 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.475 -0.465 18514
1495 1 6 . 1 1 21 21 CYS C C 28 174.930 174.930 175.194 -0.264 18514
1496 1 6 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.854 0.955 18514
1497 1 6 . 1 1 21 21 CYS CB C 28 31.757 31.757 25.697 6.060 18514
1498 1 6 . 1 1 21 21 CYS H H 28 9.321 9.321 8.486 0.835 18514
1499 1 6 . 1 1 22 22 ARG N N 29 115.643 115.643 120.501 -4.858 18514
1500 1 6 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.139 -0.916 18514
1501 1 6 . 1 1 22 22 ARG C C 29 177.619 177.619 173.653 3.966 18514
1502 1 6 . 1 1 22 22 ARG CA C 29 52.830 52.830 55.604 -2.774 18514
1503 1 6 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.149 1.119 18514
1504 1 6 . 1 1 22 22 ARG H H 29 7.880 7.880 7.586 0.294 18514
1505 1 6 . 1 1 23 23 ASN N N 30 113.854 113.854 114.315 -0.461 18514
1506 1 6 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.504 0.082 18514
1507 1 6 . 1 1 23 23 ASN C C 30 174.972 174.972 175.346 -0.374 18514
1508 1 6 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.571 -0.095 18514
1509 1 6 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.475 0.878 18514
1510 1 6 . 1 1 23 23 ASN H H 30 6.816 6.816 7.080 -0.264 18514
1511 1 6 . 1 1 24 24 SER N N 31 113.788 113.788 113.520 0.268 18514
1512 1 6 . 1 1 24 24 SER HA H 31 4.172 4.172 4.442 -0.270 18514
1513 1 6 . 1 1 24 24 SER C C 31 174.820 174.820 174.961 -0.141 18514
1514 1 6 . 1 1 24 24 SER CA C 31 61.080 61.080 60.355 0.725 18514
1515 1 6 . 1 1 24 24 SER CB C 31 63.425 63.425 62.844 0.581 18514
1516 1 6 . 1 1 24 24 SER H H 31 8.873 8.873 8.703 0.170 18514
1517 1 6 . 1 1 25 25 ARG N N 32 119.696 119.696 118.913 0.783 18514
1518 1 6 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.464 -0.257 18514
1519 1 6 . 1 1 25 25 ARG C C 32 175.482 175.482 176.467 -0.985 18514
1520 1 6 . 1 1 25 25 ARG CA C 32 57.018 57.018 55.912 1.106 18514
1521 1 6 . 1 1 25 25 ARG CB C 32 29.732 29.732 31.020 -1.288 18514
1522 1 6 . 1 1 25 25 ARG H H 32 8.104 8.104 8.097 0.007 18514
1523 1 6 . 1 1 26 26 CYS N N 33 123.061 123.061 122.975 0.086 18514
1524 1 6 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.912 -0.225 18514
1525 1 6 . 1 1 26 26 CYS C C 33 173.064 173.064 174.131 -1.067 18514
1526 1 6 . 1 1 26 26 CYS CA C 33 55.700 55.700 56.281 -0.581 18514
1527 1 6 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.051 3.903 18514
1528 1 6 . 1 1 26 26 CYS H H 33 7.766 7.766 7.829 -0.063 18514
1529 1 6 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.311 -0.019 18514
1530 1 6 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.221 -0.955 18514
1531 1 6 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.518 0.640 18514
1532 1 6 . 1 1 28 28 CYS N N 35 129.050 129.050 115.812 13.238 18514
1533 1 6 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.263 -0.633 18514
1534 1 6 . 1 1 28 28 CYS C C 35 171.254 171.254 176.640 -5.386 18514
1535 1 6 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.229 -0.644 18514
1536 1 6 . 1 1 28 28 CYS CB C 35 29.247 29.247 26.251 2.996 18514
1537 1 6 . 1 1 28 28 CYS H H 35 8.368 8.368 7.819 0.549 18514
1538 1 6 . 1 1 29 29 TYR N N 36 124.364 124.364 122.071 2.293 18514
1539 1 6 . 1 1 29 29 TYR HA H 36 4.060 4.060 3.938 0.122 18514
1540 1 6 . 1 1 29 29 TYR C C 36 172.650 172.650 177.811 -5.161 18514
1541 1 6 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.511 0.610 18514
1542 1 6 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.181 -0.260 18514
1543 1 6 . 1 1 29 29 TYR H H 36 8.197 8.197 8.002 0.195 18514
1544 1 6 . 1 1 30 30 LYS N N 37 117.214 117.214 119.244 -2.030 18514
1545 1 6 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.901 -0.122 18514
1546 1 6 . 1 1 30 30 LYS C C 37 172.650 172.650 177.359 -4.709 18514
1547 1 6 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.450 -0.054 18514
1548 1 6 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.088 0.544 18514
1549 1 6 . 1 1 30 30 LYS H H 37 8.441 8.441 7.917 0.524 18514
1550 1 6 . 1 1 31 31 SER N N 38 109.671 109.671 112.578 -2.907 18514
1551 1 6 . 1 1 31 31 SER HA H 38 4.348 4.348 4.353 -0.005 18514
1552 1 6 . 1 1 31 31 SER C C 38 173.566 173.566 173.271 0.295 18514
1553 1 6 . 1 1 31 31 SER CA C 38 56.469 56.469 58.461 -1.992 18514
1554 1 6 . 1 1 31 31 SER CB C 38 63.461 63.461 63.507 -0.046 18514
1555 1 6 . 1 1 31 31 SER H H 38 7.180 7.180 7.406 -0.226 18514
1556 1 6 . 1 1 32 32 TYR N N 39 116.096 116.096 114.733 1.363 18514
1557 1 6 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.349 -0.262 18514
1558 1 6 . 1 1 32 32 TYR C C 39 176.728 176.728 174.442 2.286 18514
1559 1 6 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.293 -0.677 18514
1560 1 6 . 1 1 32 32 TYR CB C 39 34.550 34.550 35.006 -0.456 18514
1561 1 6 . 1 1 32 32 TYR H H 39 7.410 7.410 7.070 0.340 18514
1562 1 6 . 1 1 33 33 ASN N N 40 116.549 116.549 118.194 -1.645 18514
1563 1 6 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.988 0.015 18514
1564 1 6 . 1 1 33 33 ASN C C 40 176.083 176.083 174.130 1.953 18514
1565 1 6 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.742 -0.598 18514
1566 1 6 . 1 1 33 33 ASN CB C 40 43.554 43.554 40.822 2.732 18514
1567 1 6 . 1 1 33 33 ASN H H 40 8.257 8.257 8.114 0.143 18514
1568 1 6 . 1 1 34 34 SER N N 41 115.071 115.071 114.198 0.873 18514
1569 1 6 . 1 1 34 34 SER HA H 41 4.477 4.477 4.674 -0.197 18514
1570 1 6 . 1 1 34 34 SER C C 41 174.850 174.850 174.245 0.605 18514
1571 1 6 . 1 1 34 34 SER CA C 41 57.625 57.625 57.774 -0.149 18514
1572 1 6 . 1 1 34 34 SER CB C 41 65.000 65.000 65.095 -0.095 18514
1573 1 6 . 1 1 34 34 SER H H 41 8.720 8.720 8.345 0.375 18514
1574 1 6 . 1 1 35 35 CYS N N 42 115.950 115.950 119.090 -3.140 18514
1575 1 6 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.786 0.894 18514
1576 1 6 . 1 1 35 35 CYS C C 42 174.850 174.850 175.279 -0.429 18514
1577 1 6 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.040 1.744 18514
1578 1 6 . 1 1 35 35 CYS CB C 42 31.948 31.948 26.069 5.879 18514
1579 1 6 . 1 1 35 35 CYS H H 42 8.696 8.696 9.014 -0.318 18514
1580 1 6 . 1 1 36 36 ALA N N 43 124.417 124.417 124.306 0.111 18514
1581 1 6 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.224 -0.007 18514
1582 1 6 . 1 1 36 36 ALA C C 43 173.572 173.572 177.330 -3.758 18514
1583 1 6 . 1 1 36 36 ALA CA C 43 54.329 54.329 53.055 1.274 18514
1584 1 6 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.119 -0.284 18514
1585 1 6 . 1 1 36 36 ALA H H 43 8.002 8.002 8.175 -0.173 18514
1586 1 6 . 1 1 37 37 GLY N N 44 113.524 113.524 110.892 2.632 18514
1587 1 6 . 1 1 37 37 GLY C C 44 170.263 170.263 174.557 -4.294 18514
1588 1 6 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.753 0.964 18514
1589 1 6 . 1 1 37 37 GLY H H 44 8.932 8.932 8.363 0.569 18514
1590 1 6 . 1 1 38 38 CYS N N 45 120.184 120.184 119.709 0.475 18514
1591 1 6 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.617 -0.541 18514
1592 1 6 . 1 1 38 38 CYS C C 45 170.263 170.263 175.688 -5.425 18514
1593 1 6 . 1 1 38 38 CYS CA C 45 61.886 61.886 59.497 2.389 18514
1594 1 6 . 1 1 38 38 CYS CB C 45 33.622 33.622 28.358 5.264 18514
1595 1 6 . 1 1 38 38 CYS H H 45 7.641 7.641 7.745 -0.104 18514
1596 1 6 . 1 1 39 39 HIS N N 46 118.156 118.156 118.473 -0.317 18514
1597 1 6 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.642 0.408 18514
1598 1 6 . 1 1 39 39 HIS C C 46 174.223 174.223 175.118 -0.895 18514
1599 1 6 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.546 -1.057 18514
1600 1 6 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.337 0.351 18514
1601 1 6 . 1 1 39 39 HIS H H 46 8.234 8.234 8.979 -0.745 18514
1602 1 6 . 1 1 40 40 CYS N N 47 118.354 118.354 117.319 1.035 18514
1603 1 6 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.605 0.217 18514
1604 1 6 . 1 1 40 40 CYS C C 47 176.296 176.296 174.986 1.310 18514
1605 1 6 . 1 1 40 40 CYS CA C 47 55.596 55.596 57.393 -1.797 18514
1606 1 6 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.093 6.145 18514
1607 1 6 . 1 1 40 40 CYS H H 47 7.403 7.403 7.912 -0.509 18514
1608 1 6 . 1 1 41 41 VAL N N 48 118.968 118.968 125.519 -6.551 18514
1609 1 6 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.268 -0.037 18514
1610 1 6 . 1 1 41 41 VAL C C 48 174.265 174.265 176.326 -2.061 18514
1611 1 6 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.521 -0.290 18514
1612 1 6 . 1 1 41 41 VAL CB C 48 34.698 34.698 32.208 2.490 18514
1613 1 6 . 1 1 41 41 VAL H H 48 8.205 8.205 8.582 -0.377 18514
1614 1 6 . 1 1 42 42 GLY N N 49 115.726 115.726 115.280 0.446 18514
1615 1 6 . 1 1 42 42 GLY C C 49 174.223 174.223 173.505 0.718 18514
1616 1 6 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.148 0.965 18514
1617 1 6 . 1 1 42 42 GLY H H 49 8.634 8.634 8.742 -0.108 18514
1618 1 6 . 1 1 43 43 CYS N N 50 119.917 119.917 119.792 0.125 18514
1619 1 6 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.570 -1.413 18514
1620 1 6 . 1 1 43 43 CYS C C 50 173.428 173.428 174.646 -1.218 18514
1621 1 6 . 1 1 43 43 CYS CA C 50 63.346 63.346 57.664 5.682 18514
1622 1 6 . 1 1 43 43 CYS CB C 50 33.126 33.126 27.475 5.651 18514
1623 1 6 . 1 1 43 43 CYS H H 50 7.670 7.670 8.315 -0.645 18514
1624 1 6 . 1 1 44 44 LYS N N 51 128.057 128.057 129.846 -1.789 18514
1625 1 6 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.424 0.174 18514
1626 1 6 . 1 1 44 44 LYS C C 51 171.776 171.776 174.846 -3.070 18514
1627 1 6 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.622 -0.586 18514
1628 1 6 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.518 -0.793 18514
1629 1 6 . 1 1 44 44 LYS H H 51 7.934 7.934 8.464 -0.530 18514
1630 1 6 . 1 1 45 45 ASN N N 52 125.259 125.259 122.520 2.739 18514
1631 1 6 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.151 -0.384 18514
1632 1 6 . 1 1 45 45 ASN C C 52 171.776 171.776 174.933 -3.157 18514
1633 1 6 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.961 2.289 18514
1634 1 6 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.810 -0.290 18514
1635 1 6 . 1 1 45 45 ASN H H 52 9.076 9.076 8.431 0.645 18514
1636 1 6 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.442 0.021 18514
1637 1 6 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.642 -0.510 18514
1638 1 6 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.186 0.145 18514
1639 1 6 . 1 1 47 47 HIS N N 54 121.186 121.186 120.279 0.907 18514
1640 1 6 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.704 -0.190 18514
1641 1 6 . 1 1 47 47 HIS C C 54 172.204 172.204 174.444 -2.240 18514
1642 1 6 . 1 1 47 47 HIS CA C 54 56.304 56.304 56.001 0.303 18514
1643 1 6 . 1 1 47 47 HIS CB C 54 27.908 27.908 31.501 -3.593 18514
1644 1 6 . 1 1 47 47 HIS H H 54 8.236 8.236 8.747 -0.511 18514
1645 1 6 . 1 1 48 48 LYS N N 55 123.556 123.556 120.819 2.737 18514
1646 1 6 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.380 0.081 18514
1647 1 6 . 1 1 48 48 LYS C C 55 175.066 175.066 175.410 -0.344 18514
1648 1 6 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.979 0.341 18514
1649 1 6 . 1 1 48 48 LYS CB C 55 34.106 34.106 36.288 -2.183 18514
1650 1 6 . 1 1 48 48 LYS H H 55 8.470 8.470 8.522 -0.052 18514
1651 1 6 . 1 1 49 49 GLU N N 56 121.100 121.100 125.678 -4.578 18514
1652 1 6 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.336 0.015 18514
1653 1 6 . 1 1 49 49 GLU C C 56 173.210 173.210 175.091 -1.881 18514
1654 1 6 . 1 1 49 49 GLU CA C 56 56.363 56.363 55.996 0.367 18514
1655 1 6 . 1 1 49 49 GLU CB C 56 30.623 30.623 28.631 1.992 18514
1656 1 6 . 1 1 49 49 GLU H H 56 8.523 8.523 8.670 -0.147 18514
1657 1 6 . 1 1 50 50 ASP N N 57 121.579 121.579 123.946 -2.367 18514
1658 1 6 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.804 -0.135 18514
1659 1 6 . 1 1 50 50 ASP C C 57 173.845 173.845 175.080 -1.235 18514
1660 1 6 . 1 1 50 50 ASP CA C 57 54.291 54.291 53.486 0.805 18514
1661 1 6 . 1 1 50 50 ASP CB C 57 41.452 41.452 42.884 -1.432 18514
1662 1 6 . 1 1 50 50 ASP H H 57 8.396 8.396 8.163 0.233 18514
1663 1 6 . 1 1 51 51 TYR N N 58 120.844 120.844 124.817 -3.973 18514
1664 1 6 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.628 -0.111 18514
1665 1 6 . 1 1 51 51 TYR C C 58 173.968 173.968 175.161 -1.193 18514
1666 1 6 . 1 1 51 51 TYR CA C 58 57.796 57.796 58.167 -0.371 18514
1667 1 6 . 1 1 51 51 TYR CB C 58 38.958 38.958 38.484 0.474 18514
1668 1 6 . 1 1 51 51 TYR H H 58 8.176 8.176 8.505 -0.329 18514
1669 1 7 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.792 -0.009 18514
1670 1 7 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.126 -0.319 18514
1671 1 7 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.500 -0.709 18514
1672 1 7 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.528 -0.125 18514
1673 1 7 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.496 0.238 18514
1674 1 7 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.688 -0.800 18514
1675 1 7 . 1 1 4 4 LYS N N 11 124.307 124.307 122.732 1.575 18514
1676 1 7 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.532 -0.017 18514
1677 1 7 . 1 1 4 4 LYS C C 11 173.272 173.272 174.765 -1.493 18514
1678 1 7 . 1 1 4 4 LYS CA C 11 54.281 54.281 54.680 -0.399 18514
1679 1 7 . 1 1 4 4 LYS CB C 11 31.920 31.920 32.031 -0.111 18514
1680 1 7 . 1 1 4 4 LYS H H 11 8.380 8.380 8.359 0.021 18514
1681 1 7 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.286 0.150 18514
1682 1 7 . 1 1 5 5 PRO C C 12 127.380 127.380 175.449 -48.069 18514
1683 1 7 . 1 1 5 5 PRO CA C 12 62.793 62.793 63.270 -0.477 18514
1684 1 7 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.170 -0.088 18514
1685 1 7 . 1 1 6 6 LYS N N 13 118.851 118.851 119.779 -0.928 18514
1686 1 7 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.600 0.547 18514
1687 1 7 . 1 1 6 6 LYS C C 13 173.408 173.408 175.768 -2.360 18514
1688 1 7 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.343 0.114 18514
1689 1 7 . 1 1 6 6 LYS CB C 13 34.841 34.841 34.045 0.796 18514
1690 1 7 . 1 1 6 6 LYS H H 13 8.064 8.064 8.153 -0.089 18514
1691 1 7 . 1 1 7 7 CYS N N 14 127.385 127.385 118.438 8.947 18514
1692 1 7 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.850 0.378 18514
1693 1 7 . 1 1 7 7 CYS C C 14 173.408 173.408 174.356 -0.948 18514
1694 1 7 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.618 -0.026 18514
1695 1 7 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.770 3.091 18514
1696 1 7 . 1 1 7 7 CYS H H 14 9.943 9.943 8.089 1.854 18514
1697 1 7 . 1 1 8 8 ARG N N 15 117.940 117.940 120.001 -2.061 18514
1698 1 7 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.806 -0.460 18514
1699 1 7 . 1 1 8 8 ARG C C 15 175.808 175.808 176.026 -0.218 18514
1700 1 7 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.434 -1.063 18514
1701 1 7 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.337 0.394 18514
1702 1 7 . 1 1 8 8 ARG H H 15 8.835 8.835 8.658 0.177 18514
1703 1 7 . 1 1 9 9 CYS N N 16 122.323 122.323 116.976 5.347 18514
1704 1 7 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.228 -0.204 18514
1705 1 7 . 1 1 9 9 CYS C C 16 174.360 174.360 176.165 -1.805 18514
1706 1 7 . 1 1 9 9 CYS CA C 16 60.239 60.239 61.421 -1.182 18514
1707 1 7 . 1 1 9 9 CYS CB C 16 32.451 32.451 26.756 5.695 18514
1708 1 7 . 1 1 9 9 CYS H H 16 7.433 7.433 8.298 -0.865 18514
1709 1 7 . 1 1 10 10 GLY N N 17 108.065 108.065 112.393 -4.328 18514
1710 1 7 . 1 1 10 10 GLY C C 17 174.518 174.518 175.580 -1.062 18514
1711 1 7 . 1 1 10 10 GLY CA C 17 45.560 45.560 46.456 -0.896 18514
1712 1 7 . 1 1 10 10 GLY H H 17 8.788 8.788 8.908 -0.120 18514
1713 1 7 . 1 1 11 11 ILE N N 18 118.990 118.990 121.885 -2.895 18514
1714 1 7 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.136 -0.159 18514
1715 1 7 . 1 1 11 11 ILE C C 18 173.820 173.820 176.618 -2.798 18514
1716 1 7 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.681 -0.091 18514
1717 1 7 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.515 0.209 18514
1718 1 7 . 1 1 11 11 ILE H H 18 7.557 7.557 7.482 0.075 18514
1719 1 7 . 1 1 12 12 SER N N 19 116.128 116.128 116.312 -0.184 18514
1720 1 7 . 1 1 12 12 SER HA H 19 4.510 4.510 4.332 0.178 18514
1721 1 7 . 1 1 12 12 SER C C 19 172.948 172.948 175.308 -2.360 18514
1722 1 7 . 1 1 12 12 SER CA C 19 58.200 58.200 60.113 -1.913 18514
1723 1 7 . 1 1 12 12 SER CB C 19 63.800 63.800 62.016 1.784 18514
1724 1 7 . 1 1 12 12 SER H H 19 8.418 8.418 7.801 0.617 18514
1725 1 7 . 1 1 13 13 GLY N N 20 110.984 110.984 114.202 -3.218 18514
1726 1 7 . 1 1 13 13 GLY C C 20 172.948 172.948 175.214 -2.266 18514
1727 1 7 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.389 0.009 18514
1728 1 7 . 1 1 13 13 GLY H H 20 8.243 8.243 8.470 -0.227 18514
1729 1 7 . 1 1 14 14 SER N N 21 114.951 114.951 115.319 -0.368 18514
1730 1 7 . 1 1 14 14 SER HA H 21 4.535 4.535 4.181 0.353 18514
1731 1 7 . 1 1 14 14 SER C C 21 175.376 175.376 174.711 0.665 18514
1732 1 7 . 1 1 14 14 SER CA C 21 57.930 57.930 60.223 -2.293 18514
1733 1 7 . 1 1 14 14 SER CB C 21 64.080 64.080 62.152 1.928 18514
1734 1 7 . 1 1 14 14 SER H H 21 8.250 8.250 7.924 0.326 18514
1735 1 7 . 1 1 15 15 SER N N 22 118.334 118.334 120.641 -2.307 18514
1736 1 7 . 1 1 15 15 SER HA H 22 4.449 4.449 4.476 -0.027 18514
1737 1 7 . 1 1 15 15 SER C C 22 174.863 174.863 174.298 0.565 18514
1738 1 7 . 1 1 15 15 SER CA C 22 57.767 57.767 58.232 -0.465 18514
1739 1 7 . 1 1 15 15 SER CB C 22 63.598 63.598 62.767 0.831 18514
1740 1 7 . 1 1 15 15 SER H H 22 8.427 8.427 8.111 0.316 18514
1741 1 7 . 1 1 16 16 ASN N N 23 120.784 120.784 125.401 -4.617 18514
1742 1 7 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.890 -0.080 18514
1743 1 7 . 1 1 16 16 ASN C C 23 175.364 175.364 175.680 -0.316 18514
1744 1 7 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.404 -0.230 18514
1745 1 7 . 1 1 16 16 ASN CB C 23 38.467 38.467 39.171 -0.704 18514
1746 1 7 . 1 1 16 16 ASN H H 23 8.453 8.453 8.122 0.331 18514
1747 1 7 . 1 1 17 17 THR N N 24 115.660 115.660 115.700 -0.040 18514
1748 1 7 . 1 1 17 17 THR HA H 24 4.346 4.346 4.040 0.306 18514
1749 1 7 . 1 1 17 17 THR C C 24 173.428 173.428 176.095 -2.667 18514
1750 1 7 . 1 1 17 17 THR CA C 24 62.126 62.126 65.919 -3.793 18514
1751 1 7 . 1 1 17 17 THR CB C 24 68.777 68.777 68.873 -0.096 18514
1752 1 7 . 1 1 17 17 THR H H 24 8.417 8.417 8.524 -0.107 18514
1753 1 7 . 1 1 18 18 LEU N N 25 121.190 121.190 116.210 4.980 18514
1754 1 7 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.392 -0.098 18514
1755 1 7 . 1 1 18 18 LEU C C 25 173.951 173.951 176.974 -3.023 18514
1756 1 7 . 1 1 18 18 LEU CA C 25 56.248 56.248 57.046 -0.798 18514
1757 1 7 . 1 1 18 18 LEU CB C 25 42.307 42.307 41.630 0.677 18514
1758 1 7 . 1 1 18 18 LEU H H 25 8.218 8.218 8.108 0.110 18514
1759 1 7 . 1 1 19 19 THR N N 26 106.988 106.988 107.489 -0.501 18514
1760 1 7 . 1 1 19 19 THR HA H 26 4.230 4.230 4.690 -0.460 18514
1761 1 7 . 1 1 19 19 THR C C 26 171.429 171.429 175.426 -3.997 18514
1762 1 7 . 1 1 19 19 THR CA C 26 60.631 60.631 59.718 0.913 18514
1763 1 7 . 1 1 19 19 THR CB C 26 68.296 68.296 69.786 -1.490 18514
1764 1 7 . 1 1 19 19 THR H H 26 7.791 7.791 7.649 0.142 18514
1765 1 7 . 1 1 20 20 THR N N 27 121.441 121.441 117.143 4.298 18514
1766 1 7 . 1 1 20 20 THR HA H 27 3.976 3.976 4.090 -0.114 18514
1767 1 7 . 1 1 20 20 THR C C 27 175.121 175.121 175.356 -0.235 18514
1768 1 7 . 1 1 20 20 THR CA C 27 68.900 68.900 65.335 3.565 18514
1769 1 7 . 1 1 20 20 THR CB C 27 65.100 65.100 68.596 -3.496 18514
1770 1 7 . 1 1 20 20 THR H H 27 7.370 7.370 7.834 -0.464 18514
1771 1 7 . 1 1 21 21 CYS N N 28 121.174 121.174 116.973 4.201 18514
1772 1 7 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.558 -0.548 18514
1773 1 7 . 1 1 21 21 CYS C C 28 174.930 174.930 174.714 0.216 18514
1774 1 7 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.770 1.039 18514
1775 1 7 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.405 5.352 18514
1776 1 7 . 1 1 21 21 CYS H H 28 9.321 9.321 8.345 0.976 18514
1777 1 7 . 1 1 22 22 ARG N N 29 115.643 115.643 118.485 -2.842 18514
1778 1 7 . 1 1 22 22 ARG HA H 29 3.223 3.223 3.534 -0.311 18514
1779 1 7 . 1 1 22 22 ARG C C 29 177.619 177.619 174.483 3.136 18514
1780 1 7 . 1 1 22 22 ARG CA C 29 52.830 52.830 55.651 -2.821 18514
1781 1 7 . 1 1 22 22 ARG CB C 29 31.268 31.268 29.048 2.220 18514
1782 1 7 . 1 1 22 22 ARG H H 29 7.880 7.880 7.395 0.485 18514
1783 1 7 . 1 1 23 23 ASN N N 30 113.854 113.854 115.253 -1.399 18514
1784 1 7 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.865 -0.279 18514
1785 1 7 . 1 1 23 23 ASN C C 30 174.972 174.972 175.450 -0.478 18514
1786 1 7 . 1 1 23 23 ASN CA C 30 51.476 51.476 52.038 -0.562 18514
1787 1 7 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.387 0.966 18514
1788 1 7 . 1 1 23 23 ASN H H 30 6.816 6.816 7.404 -0.588 18514
1789 1 7 . 1 1 24 24 SER N N 31 113.788 113.788 113.701 0.087 18514
1790 1 7 . 1 1 24 24 SER HA H 31 4.172 4.172 4.464 -0.292 18514
1791 1 7 . 1 1 24 24 SER C C 31 174.820 174.820 174.813 0.007 18514
1792 1 7 . 1 1 24 24 SER CA C 31 61.080 61.080 60.208 0.872 18514
1793 1 7 . 1 1 24 24 SER CB C 31 63.425 63.425 62.698 0.727 18514
1794 1 7 . 1 1 24 24 SER H H 31 8.873 8.873 8.821 0.052 18514
1795 1 7 . 1 1 25 25 ARG N N 32 119.696 119.696 118.592 1.104 18514
1796 1 7 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.461 -0.254 18514
1797 1 7 . 1 1 25 25 ARG C C 32 175.482 175.482 176.273 -0.791 18514
1798 1 7 . 1 1 25 25 ARG CA C 32 57.018 57.018 55.308 1.710 18514
1799 1 7 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.426 -0.694 18514
1800 1 7 . 1 1 25 25 ARG H H 32 8.104 8.104 8.109 -0.005 18514
1801 1 7 . 1 1 26 26 CYS N N 33 123.061 123.061 122.324 0.737 18514
1802 1 7 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.977 -0.290 18514
1803 1 7 . 1 1 26 26 CYS C C 33 173.064 173.064 173.448 -0.384 18514
1804 1 7 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.745 -0.045 18514
1805 1 7 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.950 3.004 18514
1806 1 7 . 1 1 26 26 CYS H H 33 7.766 7.766 7.804 -0.038 18514
1807 1 7 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.489 -0.197 18514
1808 1 7 . 1 1 27 27 PRO CA C 34 64.266 64.266 64.563 -0.297 18514
1809 1 7 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.050 1.108 18514
1810 1 7 . 1 1 28 28 CYS N N 35 129.050 129.050 115.946 13.104 18514
1811 1 7 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.397 -0.767 18514
1812 1 7 . 1 1 28 28 CYS C C 35 171.254 171.254 176.724 -5.470 18514
1813 1 7 . 1 1 28 28 CYS CA C 35 62.585 62.585 62.112 0.473 18514
1814 1 7 . 1 1 28 28 CYS CB C 35 29.247 29.247 27.329 1.918 18514
1815 1 7 . 1 1 28 28 CYS H H 35 8.368 8.368 7.690 0.678 18514
1816 1 7 . 1 1 29 29 TYR N N 36 124.364 124.364 122.251 2.113 18514
1817 1 7 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.049 0.011 18514
1818 1 7 . 1 1 29 29 TYR C C 36 172.650 172.650 177.950 -5.300 18514
1819 1 7 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.407 0.714 18514
1820 1 7 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.267 -0.346 18514
1821 1 7 . 1 1 29 29 TYR H H 36 8.197 8.197 7.939 0.258 18514
1822 1 7 . 1 1 30 30 LYS N N 37 117.214 117.214 117.916 -0.702 18514
1823 1 7 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.766 0.013 18514
1824 1 7 . 1 1 30 30 LYS C C 37 172.650 172.650 177.146 -4.496 18514
1825 1 7 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.384 0.012 18514
1826 1 7 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.346 0.286 18514
1827 1 7 . 1 1 30 30 LYS H H 37 8.441 8.441 7.727 0.714 18514
1828 1 7 . 1 1 31 31 SER N N 38 109.671 109.671 113.219 -3.548 18514
1829 1 7 . 1 1 31 31 SER HA H 38 4.348 4.348 4.589 -0.241 18514
1830 1 7 . 1 1 31 31 SER C C 38 173.566 173.566 173.871 -0.305 18514
1831 1 7 . 1 1 31 31 SER CA C 38 56.469 56.469 57.767 -1.298 18514
1832 1 7 . 1 1 31 31 SER CB C 38 63.461 63.461 64.131 -0.670 18514
1833 1 7 . 1 1 31 31 SER H H 38 7.180 7.180 7.472 -0.292 18514
1834 1 7 . 1 1 32 32 TYR N N 39 116.096 116.096 115.664 0.432 18514
1835 1 7 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.866 -0.779 18514
1836 1 7 . 1 1 32 32 TYR C C 39 176.728 176.728 173.613 3.115 18514
1837 1 7 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.332 -0.716 18514
1838 1 7 . 1 1 32 32 TYR CB C 39 34.550 34.550 35.250 -0.700 18514
1839 1 7 . 1 1 32 32 TYR H H 39 7.410 7.410 7.561 -0.151 18514
1840 1 7 . 1 1 33 33 ASN N N 40 116.549 116.549 117.369 -0.820 18514
1841 1 7 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.892 0.111 18514
1842 1 7 . 1 1 33 33 ASN C C 40 176.083 176.083 174.228 1.855 18514
1843 1 7 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.032 0.112 18514
1844 1 7 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.027 2.527 18514
1845 1 7 . 1 1 33 33 ASN H H 40 8.257 8.257 8.121 0.136 18514
1846 1 7 . 1 1 34 34 SER N N 41 115.071 115.071 112.842 2.229 18514
1847 1 7 . 1 1 34 34 SER HA H 41 4.477 4.477 4.851 -0.374 18514
1848 1 7 . 1 1 34 34 SER C C 41 174.850 174.850 175.044 -0.194 18514
1849 1 7 . 1 1 34 34 SER CA C 41 57.625 57.625 56.992 0.633 18514
1850 1 7 . 1 1 34 34 SER CB C 41 65.000 65.000 65.600 -0.600 18514
1851 1 7 . 1 1 34 34 SER H H 41 8.720 8.720 8.093 0.627 18514
1852 1 7 . 1 1 35 35 CYS N N 42 115.950 115.950 122.153 -6.203 18514
1853 1 7 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.697 0.983 18514
1854 1 7 . 1 1 35 35 CYS C C 42 174.850 174.850 174.930 -0.080 18514
1855 1 7 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.900 0.884 18514
1856 1 7 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.594 7.354 18514
1857 1 7 . 1 1 35 35 CYS H H 42 8.696 8.696 8.924 -0.228 18514
1858 1 7 . 1 1 36 36 ALA N N 43 124.417 124.417 126.766 -2.349 18514
1859 1 7 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.506 -0.289 18514
1860 1 7 . 1 1 36 36 ALA C C 43 173.572 173.572 177.062 -3.490 18514
1861 1 7 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.501 2.828 18514
1862 1 7 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.881 -1.046 18514
1863 1 7 . 1 1 36 36 ALA H H 43 8.002 8.002 7.715 0.287 18514
1864 1 7 . 1 1 37 37 GLY N N 44 113.524 113.524 111.573 1.951 18514
1865 1 7 . 1 1 37 37 GLY C C 44 170.263 170.263 174.067 -3.804 18514
1866 1 7 . 1 1 37 37 GLY CA C 44 45.717 45.717 45.017 0.700 18514
1867 1 7 . 1 1 37 37 GLY H H 44 8.932 8.932 8.623 0.309 18514
1868 1 7 . 1 1 38 38 CYS N N 45 120.184 120.184 117.959 2.225 18514
1869 1 7 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.713 -0.637 18514
1870 1 7 . 1 1 38 38 CYS C C 45 170.263 170.263 175.011 -4.748 18514
1871 1 7 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.085 3.801 18514
1872 1 7 . 1 1 38 38 CYS CB C 45 33.622 33.622 28.810 4.812 18514
1873 1 7 . 1 1 38 38 CYS H H 45 7.641 7.641 7.764 -0.123 18514
1874 1 7 . 1 1 39 39 HIS N N 46 118.156 118.156 121.139 -2.983 18514
1875 1 7 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.756 0.294 18514
1876 1 7 . 1 1 39 39 HIS C C 46 174.223 174.223 174.513 -0.290 18514
1877 1 7 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.903 -1.414 18514
1878 1 7 . 1 1 39 39 HIS CB C 46 29.688 29.688 30.336 -0.648 18514
1879 1 7 . 1 1 39 39 HIS H H 46 8.234 8.234 8.970 -0.736 18514
1880 1 7 . 1 1 40 40 CYS N N 47 118.354 118.354 116.284 2.070 18514
1881 1 7 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.894 -0.072 18514
1882 1 7 . 1 1 40 40 CYS C C 47 176.296 176.296 174.069 2.227 18514
1883 1 7 . 1 1 40 40 CYS CA C 47 55.596 55.596 55.895 -0.299 18514
1884 1 7 . 1 1 40 40 CYS CB C 47 33.238 33.238 29.263 3.975 18514
1885 1 7 . 1 1 40 40 CYS H H 47 7.403 7.403 7.604 -0.201 18514
1886 1 7 . 1 1 41 41 VAL N N 48 118.968 118.968 122.298 -3.330 18514
1887 1 7 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.240 -0.009 18514
1888 1 7 . 1 1 41 41 VAL C C 48 174.265 174.265 176.175 -1.910 18514
1889 1 7 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.477 -0.246 18514
1890 1 7 . 1 1 41 41 VAL CB C 48 34.698 34.698 33.642 1.056 18514
1891 1 7 . 1 1 41 41 VAL H H 48 8.205 8.205 8.960 -0.755 18514
1892 1 7 . 1 1 42 42 GLY N N 49 115.726 115.726 114.904 0.822 18514
1893 1 7 . 1 1 42 42 GLY C C 49 174.223 174.223 173.948 0.275 18514
1894 1 7 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.096 1.017 18514
1895 1 7 . 1 1 42 42 GLY H H 49 8.634 8.634 8.777 -0.143 18514
1896 1 7 . 1 1 43 43 CYS N N 50 119.917 119.917 116.960 2.957 18514
1897 1 7 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.943 -1.786 18514
1898 1 7 . 1 1 43 43 CYS C C 50 173.428 173.428 175.574 -2.146 18514
1899 1 7 . 1 1 43 43 CYS CA C 50 63.346 63.346 55.903 7.443 18514
1900 1 7 . 1 1 43 43 CYS CB C 50 33.126 33.126 28.935 4.191 18514
1901 1 7 . 1 1 43 43 CYS H H 50 7.670 7.670 7.892 -0.222 18514
1902 1 7 . 1 1 44 44 LYS N N 51 128.057 128.057 126.667 1.390 18514
1903 1 7 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.357 0.241 18514
1904 1 7 . 1 1 44 44 LYS C C 51 171.776 171.776 175.023 -3.247 18514
1905 1 7 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.613 -0.577 18514
1906 1 7 . 1 1 44 44 LYS CB C 51 31.725 31.725 31.415 0.310 18514
1907 1 7 . 1 1 44 44 LYS H H 51 7.934 7.934 8.397 -0.463 18514
1908 1 7 . 1 1 45 45 ASN N N 52 125.259 125.259 122.854 2.405 18514
1909 1 7 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.065 -0.298 18514
1910 1 7 . 1 1 45 45 ASN C C 52 171.776 171.776 174.135 -2.359 18514
1911 1 7 . 1 1 45 45 ASN CA C 52 52.250 52.250 50.030 2.220 18514
1912 1 7 . 1 1 45 45 ASN CB C 52 39.520 39.520 40.137 -0.617 18514
1913 1 7 . 1 1 45 45 ASN H H 52 9.076 9.076 8.039 1.037 18514
1914 1 7 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.312 0.151 18514
1915 1 7 . 1 1 46 46 PRO CA C 53 63.131 63.131 64.230 -1.099 18514
1916 1 7 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.136 0.195 18514
1917 1 7 . 1 1 47 47 HIS N N 54 121.186 121.186 118.329 2.857 18514
1918 1 7 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.669 -0.155 18514
1919 1 7 . 1 1 47 47 HIS C C 54 172.204 172.204 174.416 -2.212 18514
1920 1 7 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.531 0.773 18514
1921 1 7 . 1 1 47 47 HIS CB C 54 27.908 27.908 28.412 -0.504 18514
1922 1 7 . 1 1 47 47 HIS H H 54 8.236 8.236 8.892 -0.656 18514
1923 1 7 . 1 1 48 48 LYS N N 55 123.556 123.556 125.966 -2.410 18514
1924 1 7 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.498 -0.037 18514
1925 1 7 . 1 1 48 48 LYS C C 55 175.066 175.066 175.626 -0.560 18514
1926 1 7 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.897 0.423 18514
1927 1 7 . 1 1 48 48 LYS CB C 55 34.106 34.106 32.316 1.790 18514
1928 1 7 . 1 1 48 48 LYS H H 55 8.470 8.470 7.751 0.719 18514
1929 1 7 . 1 1 49 49 GLU N N 56 121.100 121.100 124.430 -3.330 18514
1930 1 7 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.182 0.169 18514
1931 1 7 . 1 1 49 49 GLU C C 56 173.210 173.210 175.829 -2.619 18514
1932 1 7 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.688 -0.325 18514
1933 1 7 . 1 1 49 49 GLU CB C 56 30.623 30.623 28.928 1.695 18514
1934 1 7 . 1 1 49 49 GLU H H 56 8.523 8.523 8.399 0.124 18514
1935 1 7 . 1 1 50 50 ASP N N 57 121.579 121.579 123.873 -2.294 18514
1936 1 7 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.590 0.079 18514
1937 1 7 . 1 1 50 50 ASP C C 57 173.845 173.845 176.298 -2.453 18514
1938 1 7 . 1 1 50 50 ASP CA C 57 54.291 54.291 51.697 2.594 18514
1939 1 7 . 1 1 50 50 ASP CB C 57 41.452 41.452 42.924 -1.472 18514
1940 1 7 . 1 1 50 50 ASP H H 57 8.396 8.396 7.930 0.466 18514
1941 1 7 . 1 1 51 51 TYR N N 58 120.844 120.844 121.398 -0.554 18514
1942 1 7 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.607 -0.090 18514
1943 1 7 . 1 1 51 51 TYR C C 58 173.968 173.968 175.911 -1.943 18514
1944 1 7 . 1 1 51 51 TYR CA C 58 57.796 57.796 58.222 -0.426 18514
1945 1 7 . 1 1 51 51 TYR CB C 58 38.958 38.958 37.829 1.129 18514
1946 1 7 . 1 1 51 51 TYR H H 58 8.176 8.176 8.407 -0.231 18514
1947 1 8 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.705 0.078 18514
1948 1 8 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.232 -0.425 18514
1949 1 8 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.459 -0.668 18514
1950 1 8 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.429 -0.026 18514
1951 1 8 . 1 1 3 3 PRO CA C 10 62.734 62.734 63.232 -0.498 18514
1952 1 8 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.153 -0.265 18514
1953 1 8 . 1 1 4 4 LYS N N 11 124.307 124.307 122.656 1.651 18514
1954 1 8 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.819 -0.304 18514
1955 1 8 . 1 1 4 4 LYS C C 11 173.272 173.272 173.938 -0.666 18514
1956 1 8 . 1 1 4 4 LYS CA C 11 54.281 54.281 53.330 0.951 18514
1957 1 8 . 1 1 4 4 LYS CB C 11 31.920 31.920 33.121 -1.201 18514
1958 1 8 . 1 1 4 4 LYS H H 11 8.380 8.380 8.227 0.153 18514
1959 1 8 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.322 0.114 18514
1960 1 8 . 1 1 5 5 PRO C C 12 127.380 127.380 175.529 -48.149 18514
1961 1 8 . 1 1 5 5 PRO CA C 12 62.793 62.793 63.428 -0.635 18514
1962 1 8 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.052 0.030 18514
1963 1 8 . 1 1 6 6 LYS N N 13 118.851 118.851 120.832 -1.981 18514
1964 1 8 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.538 0.609 18514
1965 1 8 . 1 1 6 6 LYS C C 13 173.408 173.408 175.624 -2.216 18514
1966 1 8 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.888 -0.431 18514
1967 1 8 . 1 1 6 6 LYS CB C 13 34.841 34.841 35.642 -0.801 18514
1968 1 8 . 1 1 6 6 LYS H H 13 8.064 8.064 8.309 -0.245 18514
1969 1 8 . 1 1 7 7 CYS N N 14 127.385 127.385 117.822 9.563 18514
1970 1 8 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.983 0.245 18514
1971 1 8 . 1 1 7 7 CYS C C 14 173.408 173.408 173.738 -0.330 18514
1972 1 8 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.323 0.269 18514
1973 1 8 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.658 3.203 18514
1974 1 8 . 1 1 7 7 CYS H H 14 9.943 9.943 8.416 1.527 18514
1975 1 8 . 1 1 8 8 ARG N N 15 117.940 117.940 118.315 -0.375 18514
1976 1 8 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.763 -0.417 18514
1977 1 8 . 1 1 8 8 ARG C C 15 175.808 175.808 175.979 -0.171 18514
1978 1 8 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.379 -1.008 18514
1979 1 8 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.712 0.019 18514
1980 1 8 . 1 1 8 8 ARG H H 15 8.835 8.835 8.672 0.163 18514
1981 1 8 . 1 1 9 9 CYS N N 16 122.323 122.323 119.048 3.275 18514
1982 1 8 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.370 -0.346 18514
1983 1 8 . 1 1 9 9 CYS C C 16 174.360 174.360 175.872 -1.512 18514
1984 1 8 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.859 -0.621 18514
1985 1 8 . 1 1 9 9 CYS CB C 16 32.451 32.451 24.821 7.630 18514
1986 1 8 . 1 1 9 9 CYS H H 16 7.433 7.433 8.506 -1.073 18514
1987 1 8 . 1 1 10 10 GLY N N 17 108.065 108.065 115.058 -6.993 18514
1988 1 8 . 1 1 10 10 GLY C C 17 174.518 174.518 175.575 -1.057 18514
1989 1 8 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.588 -0.028 18514
1990 1 8 . 1 1 10 10 GLY H H 17 8.788 8.788 8.457 0.331 18514
1991 1 8 . 1 1 11 11 ILE N N 18 118.990 118.990 122.069 -3.079 18514
1992 1 8 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.109 -0.132 18514
1993 1 8 . 1 1 11 11 ILE C C 18 173.820 173.820 176.445 -2.625 18514
1994 1 8 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.356 0.234 18514
1995 1 8 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.088 0.636 18514
1996 1 8 . 1 1 11 11 ILE H H 18 7.557 7.557 8.399 -0.842 18514
1997 1 8 . 1 1 12 12 SER N N 19 116.128 116.128 111.959 4.169 18514
1998 1 8 . 1 1 12 12 SER HA H 19 4.510 4.510 4.640 -0.130 18514
1999 1 8 . 1 1 12 12 SER C C 19 172.948 172.948 174.122 -1.174 18514
2000 1 8 . 1 1 12 12 SER CA C 19 58.200 58.200 57.850 0.350 18514
2001 1 8 . 1 1 12 12 SER CB C 19 63.800 63.800 65.676 -1.876 18514
2002 1 8 . 1 1 12 12 SER H H 19 8.418 8.418 7.656 0.762 18514
2003 1 8 . 1 1 13 13 GLY N N 20 110.984 110.984 110.546 0.438 18514
2004 1 8 . 1 1 13 13 GLY C C 20 172.948 172.948 174.272 -1.324 18514
2005 1 8 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.201 0.197 18514
2006 1 8 . 1 1 13 13 GLY H H 20 8.243 8.243 8.629 -0.386 18514
2007 1 8 . 1 1 14 14 SER N N 21 114.951 114.951 117.251 -2.300 18514
2008 1 8 . 1 1 14 14 SER HA H 21 4.535 4.535 4.369 0.166 18514
2009 1 8 . 1 1 14 14 SER C C 21 175.376 175.376 173.944 1.432 18514
2010 1 8 . 1 1 14 14 SER CA C 21 57.930 57.930 58.270 -0.340 18514
2011 1 8 . 1 1 14 14 SER CB C 21 64.080 64.080 63.722 0.358 18514
2012 1 8 . 1 1 14 14 SER H H 21 8.250 8.250 8.078 0.172 18514
2013 1 8 . 1 1 15 15 SER N N 22 118.334 118.334 122.246 -3.912 18514
2014 1 8 . 1 1 15 15 SER HA H 22 4.449 4.449 4.638 -0.189 18514
2015 1 8 . 1 1 15 15 SER C C 22 174.863 174.863 173.087 1.776 18514
2016 1 8 . 1 1 15 15 SER CA C 22 57.767 57.767 56.933 0.834 18514
2017 1 8 . 1 1 15 15 SER CB C 22 63.598 63.598 63.874 -0.276 18514
2018 1 8 . 1 1 15 15 SER H H 22 8.427 8.427 8.547 -0.120 18514
2019 1 8 . 1 1 16 16 ASN N N 23 120.784 120.784 122.717 -1.933 18514
2020 1 8 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.442 0.368 18514
2021 1 8 . 1 1 16 16 ASN C C 23 175.364 175.364 174.631 0.733 18514
2022 1 8 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.979 -0.805 18514
2023 1 8 . 1 1 16 16 ASN CB C 23 38.467 38.467 38.134 0.333 18514
2024 1 8 . 1 1 16 16 ASN H H 23 8.453 8.453 8.896 -0.443 18514
2025 1 8 . 1 1 17 17 THR N N 24 115.660 115.660 113.937 1.723 18514
2026 1 8 . 1 1 17 17 THR HA H 24 4.346 4.346 4.393 -0.047 18514
2027 1 8 . 1 1 17 17 THR C C 24 173.428 173.428 175.597 -2.169 18514
2028 1 8 . 1 1 17 17 THR CA C 24 62.126 62.126 63.824 -1.698 18514
2029 1 8 . 1 1 17 17 THR CB C 24 68.777 68.777 69.416 -0.639 18514
2030 1 8 . 1 1 17 17 THR H H 24 8.417 8.417 8.447 -0.030 18514
2031 1 8 . 1 1 18 18 LEU N N 25 121.190 121.190 119.655 1.535 18514
2032 1 8 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.517 -0.223 18514
2033 1 8 . 1 1 18 18 LEU C C 25 173.951 173.951 176.896 -2.945 18514
2034 1 8 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.502 -0.254 18514
2035 1 8 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.084 0.223 18514
2036 1 8 . 1 1 18 18 LEU H H 25 8.218 8.218 7.765 0.453 18514
2037 1 8 . 1 1 19 19 THR N N 26 106.988 106.988 113.911 -6.923 18514
2038 1 8 . 1 1 19 19 THR HA H 26 4.230 4.230 4.275 -0.045 18514
2039 1 8 . 1 1 19 19 THR C C 26 171.429 171.429 175.365 -3.936 18514
2040 1 8 . 1 1 19 19 THR CA C 26 60.631 60.631 62.940 -2.309 18514
2041 1 8 . 1 1 19 19 THR CB C 26 68.296 68.296 68.547 -0.252 18514
2042 1 8 . 1 1 19 19 THR H H 26 7.791 7.791 7.750 0.041 18514
2043 1 8 . 1 1 20 20 THR N N 27 121.441 121.441 118.666 2.775 18514
2044 1 8 . 1 1 20 20 THR HA H 27 3.976 3.976 4.345 -0.369 18514
2045 1 8 . 1 1 20 20 THR C C 27 175.121 175.121 176.201 -1.080 18514
2046 1 8 . 1 1 20 20 THR CA C 27 68.900 68.900 65.701 3.199 18514
2047 1 8 . 1 1 20 20 THR CB C 27 65.100 65.100 68.828 -3.728 18514
2048 1 8 . 1 1 20 20 THR H H 27 7.370 7.370 8.073 -0.703 18514
2049 1 8 . 1 1 21 21 CYS N N 28 121.174 121.174 116.521 4.653 18514
2050 1 8 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.551 -0.541 18514
2051 1 8 . 1 1 21 21 CYS C C 28 174.930 174.930 175.683 -0.753 18514
2052 1 8 . 1 1 21 21 CYS CA C 28 59.809 59.809 59.233 0.576 18514
2053 1 8 . 1 1 21 21 CYS CB C 28 31.757 31.757 25.948 5.809 18514
2054 1 8 . 1 1 21 21 CYS H H 28 9.321 9.321 8.554 0.767 18514
2055 1 8 . 1 1 22 22 ARG N N 29 115.643 115.643 118.399 -2.756 18514
2056 1 8 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.081 -0.858 18514
2057 1 8 . 1 1 22 22 ARG C C 29 177.619 177.619 174.406 3.213 18514
2058 1 8 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.593 -3.763 18514
2059 1 8 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.358 0.910 18514
2060 1 8 . 1 1 22 22 ARG H H 29 7.880 7.880 8.153 -0.273 18514
2061 1 8 . 1 1 23 23 ASN N N 30 113.854 113.854 115.163 -1.309 18514
2062 1 8 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.426 0.160 18514
2063 1 8 . 1 1 23 23 ASN C C 30 174.972 174.972 176.171 -1.199 18514
2064 1 8 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.559 -0.083 18514
2065 1 8 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.709 0.645 18514
2066 1 8 . 1 1 23 23 ASN H H 30 6.816 6.816 7.309 -0.493 18514
2067 1 8 . 1 1 24 24 SER N N 31 113.788 113.788 115.258 -1.470 18514
2068 1 8 . 1 1 24 24 SER HA H 31 4.172 4.172 4.469 -0.297 18514
2069 1 8 . 1 1 24 24 SER C C 31 174.820 174.820 174.946 -0.126 18514
2070 1 8 . 1 1 24 24 SER CA C 31 61.080 61.080 60.688 0.392 18514
2071 1 8 . 1 1 24 24 SER CB C 31 63.425 63.425 62.615 0.810 18514
2072 1 8 . 1 1 24 24 SER H H 31 8.873 8.873 8.736 0.137 18514
2073 1 8 . 1 1 25 25 ARG N N 32 119.696 119.696 118.453 1.243 18514
2074 1 8 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.400 -0.193 18514
2075 1 8 . 1 1 25 25 ARG C C 32 175.482 175.482 176.287 -0.805 18514
2076 1 8 . 1 1 25 25 ARG CA C 32 57.018 57.018 56.079 0.939 18514
2077 1 8 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.723 -0.991 18514
2078 1 8 . 1 1 25 25 ARG H H 32 8.104 8.104 8.037 0.067 18514
2079 1 8 . 1 1 26 26 CYS N N 33 123.061 123.061 122.005 1.056 18514
2080 1 8 . 1 1 26 26 CYS HA H 33 4.687 4.687 5.020 -0.333 18514
2081 1 8 . 1 1 26 26 CYS C C 33 173.064 173.064 174.046 -0.982 18514
2082 1 8 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.929 -0.229 18514
2083 1 8 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.824 3.130 18514
2084 1 8 . 1 1 26 26 CYS H H 33 7.766 7.766 7.837 -0.071 18514
2085 1 8 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.282 0.010 18514
2086 1 8 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.262 -0.996 18514
2087 1 8 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.709 0.450 18514
2088 1 8 . 1 1 28 28 CYS N N 35 129.050 129.050 116.059 12.991 18514
2089 1 8 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.219 -0.589 18514
2090 1 8 . 1 1 28 28 CYS C C 35 171.254 171.254 176.753 -5.499 18514
2091 1 8 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.335 -0.750 18514
2092 1 8 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.915 3.332 18514
2093 1 8 . 1 1 28 28 CYS H H 35 8.368 8.368 8.029 0.339 18514
2094 1 8 . 1 1 29 29 TYR N N 36 124.364 124.364 121.437 2.927 18514
2095 1 8 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.082 -0.022 18514
2096 1 8 . 1 1 29 29 TYR C C 36 172.650 172.650 178.023 -5.373 18514
2097 1 8 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.617 0.504 18514
2098 1 8 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.261 -0.340 18514
2099 1 8 . 1 1 29 29 TYR H H 36 8.197 8.197 8.010 0.187 18514
2100 1 8 . 1 1 30 30 LYS N N 37 117.214 117.214 119.097 -1.883 18514
2101 1 8 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.845 -0.066 18514
2102 1 8 . 1 1 30 30 LYS C C 37 172.650 172.650 177.843 -5.193 18514
2103 1 8 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.166 0.230 18514
2104 1 8 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.110 0.522 18514
2105 1 8 . 1 1 30 30 LYS H H 37 8.441 8.441 7.658 0.783 18514
2106 1 8 . 1 1 31 31 SER N N 38 109.671 109.671 112.885 -3.214 18514
2107 1 8 . 1 1 31 31 SER HA H 38 4.348 4.348 4.398 -0.050 18514
2108 1 8 . 1 1 31 31 SER C C 38 173.566 173.566 173.863 -0.297 18514
2109 1 8 . 1 1 31 31 SER CA C 38 56.469 56.469 58.739 -2.270 18514
2110 1 8 . 1 1 31 31 SER CB C 38 63.461 63.461 63.703 -0.242 18514
2111 1 8 . 1 1 31 31 SER H H 38 7.180 7.180 7.524 -0.344 18514
2112 1 8 . 1 1 32 32 TYR N N 39 116.096 116.096 114.896 1.200 18514
2113 1 8 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.274 -0.187 18514
2114 1 8 . 1 1 32 32 TYR C C 39 176.728 176.728 174.125 2.603 18514
2115 1 8 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.550 -0.934 18514
2116 1 8 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.822 -0.272 18514
2117 1 8 . 1 1 32 32 TYR H H 39 7.410 7.410 7.298 0.112 18514
2118 1 8 . 1 1 33 33 ASN N N 40 116.549 116.549 117.218 -0.669 18514
2119 1 8 . 1 1 33 33 ASN HA H 40 5.003 5.003 5.172 -0.169 18514
2120 1 8 . 1 1 33 33 ASN C C 40 176.083 176.083 174.279 1.804 18514
2121 1 8 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.778 -0.634 18514
2122 1 8 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.134 2.420 18514
2123 1 8 . 1 1 33 33 ASN H H 40 8.257 8.257 7.891 0.366 18514
2124 1 8 . 1 1 34 34 SER N N 41 115.071 115.071 115.094 -0.023 18514
2125 1 8 . 1 1 34 34 SER HA H 41 4.477 4.477 4.893 -0.416 18514
2126 1 8 . 1 1 34 34 SER C C 41 174.850 174.850 175.033 -0.183 18514
2127 1 8 . 1 1 34 34 SER CA C 41 57.625 57.625 56.682 0.943 18514
2128 1 8 . 1 1 34 34 SER CB C 41 65.000 65.000 65.228 -0.228 18514
2129 1 8 . 1 1 34 34 SER H H 41 8.720 8.720 9.396 -0.676 18514
2130 1 8 . 1 1 35 35 CYS N N 42 115.950 115.950 121.700 -5.750 18514
2131 1 8 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.642 1.038 18514
2132 1 8 . 1 1 35 35 CYS C C 42 174.850 174.850 174.593 0.257 18514
2133 1 8 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.841 0.943 18514
2134 1 8 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.729 7.219 18514
2135 1 8 . 1 1 35 35 CYS H H 42 8.696 8.696 8.996 -0.300 18514
2136 1 8 . 1 1 36 36 ALA N N 43 124.417 124.417 126.596 -2.179 18514
2137 1 8 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.516 -0.299 18514
2138 1 8 . 1 1 36 36 ALA C C 43 173.572 173.572 177.048 -3.476 18514
2139 1 8 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.484 2.845 18514
2140 1 8 . 1 1 36 36 ALA CB C 43 17.835 17.835 19.429 -1.594 18514
2141 1 8 . 1 1 36 36 ALA H H 43 8.002 8.002 7.735 0.267 18514
2142 1 8 . 1 1 37 37 GLY N N 44 113.524 113.524 111.653 1.871 18514
2143 1 8 . 1 1 37 37 GLY C C 44 170.263 170.263 174.259 -3.996 18514
2144 1 8 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.836 0.881 18514
2145 1 8 . 1 1 37 37 GLY H H 44 8.932 8.932 8.650 0.282 18514
2146 1 8 . 1 1 38 38 CYS N N 45 120.184 120.184 118.140 2.044 18514
2147 1 8 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.513 -0.437 18514
2148 1 8 . 1 1 38 38 CYS C C 45 170.263 170.263 174.609 -4.346 18514
2149 1 8 . 1 1 38 38 CYS CA C 45 61.886 61.886 57.779 4.106 18514
2150 1 8 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.774 3.848 18514
2151 1 8 . 1 1 38 38 CYS H H 45 7.641 7.641 7.840 -0.199 18514
2152 1 8 . 1 1 39 39 HIS N N 46 118.156 118.156 119.627 -1.471 18514
2153 1 8 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.828 0.222 18514
2154 1 8 . 1 1 39 39 HIS C C 46 174.223 174.223 174.373 -0.150 18514
2155 1 8 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.883 -1.393 18514
2156 1 8 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.590 0.098 18514
2157 1 8 . 1 1 39 39 HIS H H 46 8.234 8.234 9.024 -0.790 18514
2158 1 8 . 1 1 40 40 CYS N N 47 118.354 118.354 116.886 1.468 18514
2159 1 8 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.660 0.162 18514
2160 1 8 . 1 1 40 40 CYS C C 47 176.296 176.296 173.563 2.733 18514
2161 1 8 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.927 -1.331 18514
2162 1 8 . 1 1 40 40 CYS CB C 47 33.238 33.238 29.004 4.234 18514
2163 1 8 . 1 1 40 40 CYS H H 47 7.403 7.403 7.801 -0.398 18514
2164 1 8 . 1 1 41 41 VAL N N 48 118.968 118.968 122.065 -3.097 18514
2165 1 8 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.252 -0.021 18514
2166 1 8 . 1 1 41 41 VAL C C 48 174.265 174.265 176.132 -1.867 18514
2167 1 8 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.590 -0.359 18514
2168 1 8 . 1 1 41 41 VAL CB C 48 34.698 34.698 34.403 0.295 18514
2169 1 8 . 1 1 41 41 VAL H H 48 8.205 8.205 8.886 -0.681 18514
2170 1 8 . 1 1 42 42 GLY N N 49 115.726 115.726 114.370 1.356 18514
2171 1 8 . 1 1 42 42 GLY C C 49 174.223 174.223 173.818 0.405 18514
2172 1 8 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.164 0.949 18514
2173 1 8 . 1 1 42 42 GLY H H 49 8.634 8.634 8.577 0.057 18514
2174 1 8 . 1 1 43 43 CYS N N 50 119.917 119.917 120.055 -0.138 18514
2175 1 8 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.530 -1.373 18514
2176 1 8 . 1 1 43 43 CYS C C 50 173.428 173.428 174.589 -1.161 18514
2177 1 8 . 1 1 43 43 CYS CA C 50 63.346 63.346 57.611 5.735 18514
2178 1 8 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.543 6.583 18514
2179 1 8 . 1 1 43 43 CYS H H 50 7.670 7.670 8.301 -0.631 18514
2180 1 8 . 1 1 44 44 LYS N N 51 128.057 128.057 130.051 -1.994 18514
2181 1 8 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.379 0.219 18514
2182 1 8 . 1 1 44 44 LYS C C 51 171.776 171.776 174.726 -2.950 18514
2183 1 8 . 1 1 44 44 LYS CA C 51 54.036 54.036 55.118 -1.082 18514
2184 1 8 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.934 -1.209 18514
2185 1 8 . 1 1 44 44 LYS H H 51 7.934 7.934 8.288 -0.354 18514
2186 1 8 . 1 1 45 45 ASN N N 52 125.259 125.259 123.437 1.822 18514
2187 1 8 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.101 -0.334 18514
2188 1 8 . 1 1 45 45 ASN C C 52 171.776 171.776 174.231 -2.455 18514
2189 1 8 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.941 2.309 18514
2190 1 8 . 1 1 45 45 ASN CB C 52 39.520 39.520 40.505 -0.985 18514
2191 1 8 . 1 1 45 45 ASN H H 52 9.076 9.076 8.495 0.581 18514
2192 1 8 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.287 0.176 18514
2193 1 8 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.867 -0.736 18514
2194 1 8 . 1 1 46 46 PRO CB C 53 32.331 32.331 31.911 0.420 18514
2195 1 8 . 1 1 47 47 HIS N N 54 121.186 121.186 119.095 2.091 18514
2196 1 8 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.722 -0.208 18514
2197 1 8 . 1 1 47 47 HIS C C 54 172.204 172.204 174.366 -2.162 18514
2198 1 8 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.859 0.445 18514
2199 1 8 . 1 1 47 47 HIS CB C 54 27.908 27.908 30.993 -3.085 18514
2200 1 8 . 1 1 47 47 HIS H H 54 8.236 8.236 8.714 -0.478 18514
2201 1 8 . 1 1 48 48 LYS N N 55 123.556 123.556 123.480 0.076 18514
2202 1 8 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.518 -0.057 18514
2203 1 8 . 1 1 48 48 LYS C C 55 175.066 175.066 175.667 -0.601 18514
2204 1 8 . 1 1 48 48 LYS CA C 55 55.320 55.320 55.398 -0.078 18514
2205 1 8 . 1 1 48 48 LYS CB C 55 34.106 34.106 34.620 -0.514 18514
2206 1 8 . 1 1 48 48 LYS H H 55 8.470 8.470 8.736 -0.266 18514
2207 1 8 . 1 1 49 49 GLU N N 56 121.100 121.100 125.994 -4.894 18514
2208 1 8 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.403 -0.052 18514
2209 1 8 . 1 1 49 49 GLU C C 56 173.210 173.210 175.530 -2.320 18514
2210 1 8 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.195 0.168 18514
2211 1 8 . 1 1 49 49 GLU CB C 56 30.623 30.623 29.698 0.925 18514
2212 1 8 . 1 1 49 49 GLU H H 56 8.523 8.523 8.592 -0.069 18514
2213 1 8 . 1 1 50 50 ASP N N 57 121.579 121.579 125.495 -3.916 18514
2214 1 8 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.565 0.104 18514
2215 1 8 . 1 1 50 50 ASP C C 57 173.845 173.845 175.330 -1.485 18514
2216 1 8 . 1 1 50 50 ASP CA C 57 54.291 54.291 54.475 -0.184 18514
2217 1 8 . 1 1 50 50 ASP CB C 57 41.452 41.452 40.667 0.785 18514
2218 1 8 . 1 1 50 50 ASP H H 57 8.396 8.396 8.237 0.159 18514
2219 1 8 . 1 1 51 51 TYR N N 58 120.844 120.844 125.689 -4.845 18514
2220 1 8 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.692 -0.175 18514
2221 1 8 . 1 1 51 51 TYR C C 58 173.968 173.968 174.774 -0.806 18514
2222 1 8 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.949 -0.153 18514
2223 1 8 . 1 1 51 51 TYR CB C 58 38.958 38.958 38.907 0.051 18514
2224 1 8 . 1 1 51 51 TYR H H 58 8.176 8.176 8.116 0.060 18514
2225 1 9 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.847 -0.064 18514
2226 1 9 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.367 -0.560 18514
2227 1 9 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.230 -0.439 18514
2228 1 9 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.864 -0.461 18514
2229 1 9 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.237 0.497 18514
2230 1 9 . 1 1 3 3 PRO CB C 10 31.888 31.888 33.846 -1.958 18514
2231 1 9 . 1 1 4 4 LYS N N 11 124.307 124.307 120.274 4.033 18514
2232 1 9 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.644 -0.129 18514
2233 1 9 . 1 1 4 4 LYS C C 11 173.272 173.272 174.093 -0.821 18514
2234 1 9 . 1 1 4 4 LYS CA C 11 54.281 54.281 53.925 0.356 18514
2235 1 9 . 1 1 4 4 LYS CB C 11 31.920 31.920 33.326 -1.406 18514
2236 1 9 . 1 1 4 4 LYS H H 11 8.380 8.380 8.249 0.131 18514
2237 1 9 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.420 0.016 18514
2238 1 9 . 1 1 5 5 PRO C C 12 127.380 127.380 175.742 -48.362 18514
2239 1 9 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.853 -0.060 18514
2240 1 9 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.304 -0.222 18514
2241 1 9 . 1 1 6 6 LYS N N 13 118.851 118.851 120.203 -1.352 18514
2242 1 9 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.604 0.543 18514
2243 1 9 . 1 1 6 6 LYS C C 13 173.408 173.408 176.117 -2.709 18514
2244 1 9 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.558 -0.101 18514
2245 1 9 . 1 1 6 6 LYS CB C 13 34.841 34.841 35.543 -0.702 18514
2246 1 9 . 1 1 6 6 LYS H H 13 8.064 8.064 8.193 -0.129 18514
2247 1 9 . 1 1 7 7 CYS N N 14 127.385 127.385 118.381 9.004 18514
2248 1 9 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.918 0.310 18514
2249 1 9 . 1 1 7 7 CYS C C 14 173.408 173.408 173.850 -0.442 18514
2250 1 9 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.635 -0.042 18514
2251 1 9 . 1 1 7 7 CYS CB C 14 34.861 34.861 30.822 4.039 18514
2252 1 9 . 1 1 7 7 CYS H H 14 9.943 9.943 8.139 1.804 18514
2253 1 9 . 1 1 8 8 ARG N N 15 117.940 117.940 119.212 -1.272 18514
2254 1 9 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.728 -0.382 18514
2255 1 9 . 1 1 8 8 ARG C C 15 175.808 175.808 176.110 -0.302 18514
2256 1 9 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.115 -0.744 18514
2257 1 9 . 1 1 8 8 ARG CB C 15 30.731 30.731 29.970 0.761 18514
2258 1 9 . 1 1 8 8 ARG H H 15 8.835 8.835 8.639 0.196 18514
2259 1 9 . 1 1 9 9 CYS N N 16 122.323 122.323 119.002 3.321 18514
2260 1 9 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.931 -0.907 18514
2261 1 9 . 1 1 9 9 CYS C C 16 174.360 174.360 176.356 -1.996 18514
2262 1 9 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.345 -0.106 18514
2263 1 9 . 1 1 9 9 CYS CB C 16 32.451 32.451 25.192 7.259 18514
2264 1 9 . 1 1 9 9 CYS H H 16 7.433 7.433 8.391 -0.958 18514
2265 1 9 . 1 1 10 10 GLY N N 17 108.065 108.065 116.624 -8.559 18514
2266 1 9 . 1 1 10 10 GLY C C 17 174.518 174.518 174.911 -0.393 18514
2267 1 9 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.625 -0.065 18514
2268 1 9 . 1 1 10 10 GLY H H 17 8.788 8.788 9.160 -0.372 18514
2269 1 9 . 1 1 11 11 ILE N N 18 118.990 118.990 120.960 -1.970 18514
2270 1 9 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.086 -0.109 18514
2271 1 9 . 1 1 11 11 ILE C C 18 173.820 173.820 176.326 -2.506 18514
2272 1 9 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.406 0.184 18514
2273 1 9 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.713 0.011 18514
2274 1 9 . 1 1 11 11 ILE H H 18 7.557 7.557 8.051 -0.494 18514
2275 1 9 . 1 1 12 12 SER N N 19 116.128 116.128 113.023 3.105 18514
2276 1 9 . 1 1 12 12 SER HA H 19 4.510 4.510 4.756 -0.246 18514
2277 1 9 . 1 1 12 12 SER C C 19 172.948 172.948 173.874 -0.926 18514
2278 1 9 . 1 1 12 12 SER CA C 19 58.200 58.200 57.515 0.685 18514
2279 1 9 . 1 1 12 12 SER CB C 19 63.800 63.800 66.413 -2.613 18514
2280 1 9 . 1 1 12 12 SER H H 19 8.418 8.418 8.373 0.045 18514
2281 1 9 . 1 1 13 13 GLY N N 20 110.984 110.984 108.548 2.436 18514
2282 1 9 . 1 1 13 13 GLY C C 20 172.948 172.948 173.939 -0.991 18514
2283 1 9 . 1 1 13 13 GLY CA C 20 45.398 45.398 44.918 0.480 18514
2284 1 9 . 1 1 13 13 GLY H H 20 8.243 8.243 8.511 -0.268 18514
2285 1 9 . 1 1 14 14 SER N N 21 114.951 114.951 116.473 -1.522 18514
2286 1 9 . 1 1 14 14 SER HA H 21 4.535 4.535 4.535 0.000 18514
2287 1 9 . 1 1 14 14 SER C C 21 175.376 175.376 174.105 1.271 18514
2288 1 9 . 1 1 14 14 SER CA C 21 57.930 57.930 58.894 -0.964 18514
2289 1 9 . 1 1 14 14 SER CB C 21 64.080 64.080 63.106 0.974 18514
2290 1 9 . 1 1 14 14 SER H H 21 8.250 8.250 8.307 -0.057 18514
2291 1 9 . 1 1 15 15 SER N N 22 118.334 118.334 118.950 -0.616 18514
2292 1 9 . 1 1 15 15 SER HA H 22 4.449 4.449 4.599 -0.150 18514
2293 1 9 . 1 1 15 15 SER C C 22 174.863 174.863 173.628 1.235 18514
2294 1 9 . 1 1 15 15 SER CA C 22 57.767 57.767 58.944 -1.177 18514
2295 1 9 . 1 1 15 15 SER CB C 22 63.598 63.598 65.414 -1.816 18514
2296 1 9 . 1 1 15 15 SER H H 22 8.427 8.427 8.368 0.059 18514
2297 1 9 . 1 1 16 16 ASN N N 23 120.784 120.784 121.448 -0.664 18514
2298 1 9 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.996 -0.186 18514
2299 1 9 . 1 1 16 16 ASN C C 23 175.364 175.364 175.001 0.363 18514
2300 1 9 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.008 0.166 18514
2301 1 9 . 1 1 16 16 ASN CB C 23 38.467 38.467 41.174 -2.707 18514
2302 1 9 . 1 1 16 16 ASN H H 23 8.453 8.453 8.308 0.145 18514
2303 1 9 . 1 1 17 17 THR N N 24 115.660 115.660 118.775 -3.115 18514
2304 1 9 . 1 1 17 17 THR HA H 24 4.346 4.346 4.415 -0.069 18514
2305 1 9 . 1 1 17 17 THR C C 24 173.428 173.428 175.120 -1.692 18514
2306 1 9 . 1 1 17 17 THR CA C 24 62.126 62.126 64.561 -2.434 18514
2307 1 9 . 1 1 17 17 THR CB C 24 68.777 68.777 69.433 -0.656 18514
2308 1 9 . 1 1 17 17 THR H H 24 8.417 8.417 8.743 -0.326 18514
2309 1 9 . 1 1 18 18 LEU N N 25 121.190 121.190 119.428 1.762 18514
2310 1 9 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.580 -0.286 18514
2311 1 9 . 1 1 18 18 LEU C C 25 173.951 173.951 177.442 -3.491 18514
2312 1 9 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.328 -0.080 18514
2313 1 9 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.239 0.068 18514
2314 1 9 . 1 1 18 18 LEU H H 25 8.218 8.218 7.756 0.462 18514
2315 1 9 . 1 1 19 19 THR N N 26 106.988 106.988 113.181 -6.193 18514
2316 1 9 . 1 1 19 19 THR HA H 26 4.230 4.230 4.572 -0.342 18514
2317 1 9 . 1 1 19 19 THR C C 26 171.429 171.429 175.970 -4.541 18514
2318 1 9 . 1 1 19 19 THR CA C 26 60.631 60.631 61.964 -1.333 18514
2319 1 9 . 1 1 19 19 THR CB C 26 68.296 68.296 68.212 0.084 18514
2320 1 9 . 1 1 19 19 THR H H 26 7.791 7.791 7.807 -0.016 18514
2321 1 9 . 1 1 20 20 THR N N 27 121.441 121.441 120.744 0.697 18514
2322 1 9 . 1 1 20 20 THR HA H 27 3.976 3.976 4.091 -0.115 18514
2323 1 9 . 1 1 20 20 THR C C 27 175.121 175.121 175.883 -0.762 18514
2324 1 9 . 1 1 20 20 THR CA C 27 68.900 68.900 66.644 2.256 18514
2325 1 9 . 1 1 20 20 THR CB C 27 65.100 65.100 68.565 -3.465 18514
2326 1 9 . 1 1 20 20 THR H H 27 7.370 7.370 8.348 -0.978 18514
2327 1 9 . 1 1 21 21 CYS N N 28 121.174 121.174 115.738 5.436 18514
2328 1 9 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.447 -0.437 18514
2329 1 9 . 1 1 21 21 CYS C C 28 174.930 174.930 175.004 -0.074 18514
2330 1 9 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.912 0.897 18514
2331 1 9 . 1 1 21 21 CYS CB C 28 31.757 31.757 25.780 5.977 18514
2332 1 9 . 1 1 21 21 CYS H H 28 9.321 9.321 8.250 1.071 18514
2333 1 9 . 1 1 22 22 ARG N N 29 115.643 115.643 119.347 -3.704 18514
2334 1 9 . 1 1 22 22 ARG HA H 29 3.223 3.223 3.830 -0.607 18514
2335 1 9 . 1 1 22 22 ARG C C 29 177.619 177.619 174.185 3.434 18514
2336 1 9 . 1 1 22 22 ARG CA C 29 52.830 52.830 55.769 -2.939 18514
2337 1 9 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.017 1.251 18514
2338 1 9 . 1 1 22 22 ARG H H 29 7.880 7.880 7.376 0.504 18514
2339 1 9 . 1 1 23 23 ASN N N 30 113.854 113.854 114.983 -1.129 18514
2340 1 9 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.669 -0.083 18514
2341 1 9 . 1 1 23 23 ASN C C 30 174.972 174.972 176.044 -1.072 18514
2342 1 9 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.819 -0.343 18514
2343 1 9 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.367 0.987 18514
2344 1 9 . 1 1 23 23 ASN H H 30 6.816 6.816 7.201 -0.385 18514
2345 1 9 . 1 1 24 24 SER N N 31 113.788 113.788 113.534 0.254 18514
2346 1 9 . 1 1 24 24 SER HA H 31 4.172 4.172 4.334 -0.162 18514
2347 1 9 . 1 1 24 24 SER C C 31 174.820 174.820 174.853 -0.033 18514
2348 1 9 . 1 1 24 24 SER CA C 31 61.080 61.080 61.224 -0.144 18514
2349 1 9 . 1 1 24 24 SER CB C 31 63.425 63.425 62.682 0.743 18514
2350 1 9 . 1 1 24 24 SER H H 31 8.873 8.873 8.756 0.117 18514
2351 1 9 . 1 1 25 25 ARG N N 32 119.696 119.696 118.421 1.275 18514
2352 1 9 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.424 -0.217 18514
2353 1 9 . 1 1 25 25 ARG C C 32 175.482 175.482 175.813 -0.331 18514
2354 1 9 . 1 1 25 25 ARG CA C 32 57.018 57.018 56.019 0.999 18514
2355 1 9 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.795 -1.063 18514
2356 1 9 . 1 1 25 25 ARG H H 32 8.104 8.104 8.133 -0.029 18514
2357 1 9 . 1 1 26 26 CYS N N 33 123.061 123.061 122.399 0.662 18514
2358 1 9 . 1 1 26 26 CYS HA H 33 4.687 4.687 5.080 -0.393 18514
2359 1 9 . 1 1 26 26 CYS C C 33 173.064 173.064 173.374 -0.310 18514
2360 1 9 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.301 0.399 18514
2361 1 9 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.578 3.376 18514
2362 1 9 . 1 1 26 26 CYS H H 33 7.766 7.766 7.772 -0.006 18514
2363 1 9 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.280 0.012 18514
2364 1 9 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.300 -1.034 18514
2365 1 9 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.621 0.537 18514
2366 1 9 . 1 1 28 28 CYS N N 35 129.050 129.050 115.912 13.138 18514
2367 1 9 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.190 -0.560 18514
2368 1 9 . 1 1 28 28 CYS C C 35 171.254 171.254 176.764 -5.510 18514
2369 1 9 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.398 -0.813 18514
2370 1 9 . 1 1 28 28 CYS CB C 35 29.247 29.247 26.023 3.224 18514
2371 1 9 . 1 1 28 28 CYS H H 35 8.368 8.368 8.001 0.367 18514
2372 1 9 . 1 1 29 29 TYR N N 36 124.364 124.364 122.025 2.339 18514
2373 1 9 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.175 -0.115 18514
2374 1 9 . 1 1 29 29 TYR C C 36 172.650 172.650 178.222 -5.572 18514
2375 1 9 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.568 0.553 18514
2376 1 9 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.346 -0.425 18514
2377 1 9 . 1 1 29 29 TYR H H 36 8.197 8.197 7.713 0.484 18514
2378 1 9 . 1 1 30 30 LYS N N 37 117.214 117.214 118.933 -1.719 18514
2379 1 9 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.821 -0.042 18514
2380 1 9 . 1 1 30 30 LYS C C 37 172.650 172.650 177.314 -4.664 18514
2381 1 9 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.293 0.103 18514
2382 1 9 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.088 0.544 18514
2383 1 9 . 1 1 30 30 LYS H H 37 8.441 8.441 8.177 0.264 18514
2384 1 9 . 1 1 31 31 SER N N 38 109.671 109.671 113.264 -3.593 18514
2385 1 9 . 1 1 31 31 SER HA H 38 4.348 4.348 4.311 0.037 18514
2386 1 9 . 1 1 31 31 SER C C 38 173.566 173.566 173.337 0.229 18514
2387 1 9 . 1 1 31 31 SER CA C 38 56.469 56.469 58.110 -1.641 18514
2388 1 9 . 1 1 31 31 SER CB C 38 63.461 63.461 63.224 0.237 18514
2389 1 9 . 1 1 31 31 SER H H 38 7.180 7.180 7.498 -0.318 18514
2390 1 9 . 1 1 32 32 TYR N N 39 116.096 116.096 114.060 2.036 18514
2391 1 9 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.673 -0.586 18514
2392 1 9 . 1 1 32 32 TYR C C 39 176.728 176.728 174.346 2.382 18514
2393 1 9 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.148 -0.532 18514
2394 1 9 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.587 -0.037 18514
2395 1 9 . 1 1 32 32 TYR H H 39 7.410 7.410 7.459 -0.049 18514
2396 1 9 . 1 1 33 33 ASN N N 40 116.549 116.549 116.008 0.541 18514
2397 1 9 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.803 0.200 18514
2398 1 9 . 1 1 33 33 ASN C C 40 176.083 176.083 174.395 1.688 18514
2399 1 9 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.502 -0.358 18514
2400 1 9 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.056 2.498 18514
2401 1 9 . 1 1 33 33 ASN H H 40 8.257 8.257 7.855 0.402 18514
2402 1 9 . 1 1 34 34 SER N N 41 115.071 115.071 113.458 1.613 18514
2403 1 9 . 1 1 34 34 SER HA H 41 4.477 4.477 5.178 -0.701 18514
2404 1 9 . 1 1 34 34 SER C C 41 174.850 174.850 174.074 0.776 18514
2405 1 9 . 1 1 34 34 SER CA C 41 57.625 57.625 57.148 0.477 18514
2406 1 9 . 1 1 34 34 SER CB C 41 65.000 65.000 65.226 -0.226 18514
2407 1 9 . 1 1 34 34 SER H H 41 8.720 8.720 8.476 0.244 18514
2408 1 9 . 1 1 35 35 CYS N N 42 115.950 115.950 118.516 -2.566 18514
2409 1 9 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.837 0.843 18514
2410 1 9 . 1 1 35 35 CYS C C 42 174.850 174.850 175.188 -0.338 18514
2411 1 9 . 1 1 35 35 CYS CA C 42 59.784 59.784 57.861 1.923 18514
2412 1 9 . 1 1 35 35 CYS CB C 42 31.948 31.948 26.513 5.435 18514
2413 1 9 . 1 1 35 35 CYS H H 42 8.696 8.696 8.906 -0.210 18514
2414 1 9 . 1 1 36 36 ALA N N 43 124.417 124.417 124.154 0.263 18514
2415 1 9 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.161 0.056 18514
2416 1 9 . 1 1 36 36 ALA C C 43 173.572 173.572 177.645 -4.073 18514
2417 1 9 . 1 1 36 36 ALA CA C 43 54.329 54.329 52.966 1.363 18514
2418 1 9 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.283 -0.448 18514
2419 1 9 . 1 1 36 36 ALA H H 43 8.002 8.002 8.079 -0.077 18514
2420 1 9 . 1 1 37 37 GLY N N 44 113.524 113.524 110.925 2.599 18514
2421 1 9 . 1 1 37 37 GLY C C 44 170.263 170.263 174.323 -4.060 18514
2422 1 9 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.711 1.006 18514
2423 1 9 . 1 1 37 37 GLY H H 44 8.932 8.932 8.393 0.539 18514
2424 1 9 . 1 1 38 38 CYS N N 45 120.184 120.184 118.324 1.860 18514
2425 1 9 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.241 -0.165 18514
2426 1 9 . 1 1 38 38 CYS C C 45 170.263 170.263 174.448 -4.185 18514
2427 1 9 . 1 1 38 38 CYS CA C 45 61.886 61.886 59.281 2.605 18514
2428 1 9 . 1 1 38 38 CYS CB C 45 33.622 33.622 28.405 5.217 18514
2429 1 9 . 1 1 38 38 CYS H H 45 7.641 7.641 7.681 -0.040 18514
2430 1 9 . 1 1 39 39 HIS N N 46 118.156 118.156 118.110 0.046 18514
2431 1 9 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.806 0.244 18514
2432 1 9 . 1 1 39 39 HIS C C 46 174.223 174.223 175.224 -1.001 18514
2433 1 9 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.625 -1.136 18514
2434 1 9 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.669 0.019 18514
2435 1 9 . 1 1 39 39 HIS H H 46 8.234 8.234 8.511 -0.277 18514
2436 1 9 . 1 1 40 40 CYS N N 47 118.354 118.354 117.787 0.567 18514
2437 1 9 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.651 0.171 18514
2438 1 9 . 1 1 40 40 CYS C C 47 176.296 176.296 174.622 1.674 18514
2439 1 9 . 1 1 40 40 CYS CA C 47 55.596 55.596 57.175 -1.579 18514
2440 1 9 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.704 5.534 18514
2441 1 9 . 1 1 40 40 CYS H H 47 7.403 7.403 7.984 -0.581 18514
2442 1 9 . 1 1 41 41 VAL N N 48 118.968 118.968 123.078 -4.110 18514
2443 1 9 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.270 -0.039 18514
2444 1 9 . 1 1 41 41 VAL C C 48 174.265 174.265 176.236 -1.971 18514
2445 1 9 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.594 -0.363 18514
2446 1 9 . 1 1 41 41 VAL CB C 48 34.698 34.698 33.881 0.817 18514
2447 1 9 . 1 1 41 41 VAL H H 48 8.205 8.205 8.843 -0.638 18514
2448 1 9 . 1 1 42 42 GLY N N 49 115.726 115.726 114.372 1.354 18514
2449 1 9 . 1 1 42 42 GLY C C 49 174.223 174.223 173.923 0.300 18514
2450 1 9 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.138 0.975 18514
2451 1 9 . 1 1 42 42 GLY H H 49 8.634 8.634 8.601 0.033 18514
2452 1 9 . 1 1 43 43 CYS N N 50 119.917 119.917 119.748 0.169 18514
2453 1 9 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.452 -1.295 18514
2454 1 9 . 1 1 43 43 CYS C C 50 173.428 173.428 174.644 -1.216 18514
2455 1 9 . 1 1 43 43 CYS CA C 50 63.346 63.346 57.956 5.391 18514
2456 1 9 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.989 6.137 18514
2457 1 9 . 1 1 43 43 CYS H H 50 7.670 7.670 8.258 -0.588 18514
2458 1 9 . 1 1 44 44 LYS N N 51 128.057 128.057 129.243 -1.186 18514
2459 1 9 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.413 0.185 18514
2460 1 9 . 1 1 44 44 LYS C C 51 171.776 171.776 174.431 -2.655 18514
2461 1 9 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.411 -0.375 18514
2462 1 9 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.056 -0.331 18514
2463 1 9 . 1 1 44 44 LYS H H 51 7.934 7.934 8.492 -0.558 18514
2464 1 9 . 1 1 45 45 ASN N N 52 125.259 125.259 122.868 2.391 18514
2465 1 9 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.140 -0.373 18514
2466 1 9 . 1 1 45 45 ASN C C 52 171.776 171.776 173.933 -2.157 18514
2467 1 9 . 1 1 45 45 ASN CA C 52 52.250 52.250 50.324 1.926 18514
2468 1 9 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.999 -0.479 18514
2469 1 9 . 1 1 45 45 ASN H H 52 9.076 9.076 8.270 0.806 18514
2470 1 9 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.347 0.116 18514
2471 1 9 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.661 -0.530 18514
2472 1 9 . 1 1 46 46 PRO CB C 53 32.331 32.331 31.797 0.534 18514
2473 1 9 . 1 1 47 47 HIS N N 54 121.186 121.186 118.715 2.471 18514
2474 1 9 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.713 -0.199 18514
2475 1 9 . 1 1 47 47 HIS C C 54 172.204 172.204 174.516 -2.312 18514
2476 1 9 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.877 0.427 18514
2477 1 9 . 1 1 47 47 HIS CB C 54 27.908 27.908 31.193 -3.285 18514
2478 1 9 . 1 1 47 47 HIS H H 54 8.236 8.236 8.004 0.232 18514
2479 1 9 . 1 1 48 48 LYS N N 55 123.556 123.556 122.818 0.738 18514
2480 1 9 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.484 -0.023 18514
2481 1 9 . 1 1 48 48 LYS C C 55 175.066 175.066 176.728 -1.662 18514
2482 1 9 . 1 1 48 48 LYS CA C 55 55.320 55.320 55.072 0.248 18514
2483 1 9 . 1 1 48 48 LYS CB C 55 34.106 34.106 34.252 -0.146 18514
2484 1 9 . 1 1 48 48 LYS H H 55 8.470 8.470 8.660 -0.190 18514
2485 1 9 . 1 1 49 49 GLU N N 56 121.100 121.100 122.545 -1.445 18514
2486 1 9 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.336 0.015 18514
2487 1 9 . 1 1 49 49 GLU C C 56 173.210 173.210 175.386 -2.176 18514
2488 1 9 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.394 -0.031 18514
2489 1 9 . 1 1 49 49 GLU CB C 56 30.623 30.623 28.439 2.184 18514
2490 1 9 . 1 1 49 49 GLU H H 56 8.523 8.523 8.583 -0.060 18514
2491 1 9 . 1 1 50 50 ASP N N 57 121.579 121.579 123.790 -2.211 18514
2492 1 9 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.805 -0.136 18514
2493 1 9 . 1 1 50 50 ASP C C 57 173.845 173.845 175.146 -1.301 18514
2494 1 9 . 1 1 50 50 ASP CA C 57 54.291 54.291 54.258 0.033 18514
2495 1 9 . 1 1 50 50 ASP CB C 57 41.452 41.452 41.665 -0.213 18514
2496 1 9 . 1 1 50 50 ASP H H 57 8.396 8.396 8.179 0.217 18514
2497 1 9 . 1 1 51 51 TYR N N 58 120.844 120.844 124.119 -3.275 18514
2498 1 9 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.659 -0.142 18514
2499 1 9 . 1 1 51 51 TYR C C 58 173.968 173.968 175.293 -1.325 18514
2500 1 9 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.463 0.333 18514
2501 1 9 . 1 1 51 51 TYR CB C 58 38.958 38.958 39.625 -0.667 18514
2502 1 9 . 1 1 51 51 TYR H H 58 8.176 8.176 8.541 -0.365 18514
2503 1 10 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.709 0.074 18514
2504 1 10 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.327 -0.520 18514
2505 1 10 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.538 -0.747 18514
2506 1 10 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.438 -0.035 18514
2507 1 10 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.825 -0.091 18514
2508 1 10 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.332 -0.444 18514
2509 1 10 . 1 1 4 4 LYS N N 11 124.307 124.307 125.454 -1.147 18514
2510 1 10 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.353 0.162 18514
2511 1 10 . 1 1 4 4 LYS C C 11 173.272 173.272 175.119 -1.847 18514
2512 1 10 . 1 1 4 4 LYS CA C 11 54.281 54.281 55.139 -0.858 18514
2513 1 10 . 1 1 4 4 LYS CB C 11 31.920 31.920 32.199 -0.279 18514
2514 1 10 . 1 1 4 4 LYS H H 11 8.380 8.380 8.313 0.067 18514
2515 1 10 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.402 0.034 18514
2516 1 10 . 1 1 5 5 PRO C C 12 127.380 127.380 175.718 -48.338 18514
2517 1 10 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.807 -0.014 18514
2518 1 10 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.214 -0.132 18514
2519 1 10 . 1 1 6 6 LYS N N 13 118.851 118.851 121.770 -2.919 18514
2520 1 10 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.567 0.580 18514
2521 1 10 . 1 1 6 6 LYS C C 13 173.408 173.408 176.361 -2.953 18514
2522 1 10 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.940 -0.483 18514
2523 1 10 . 1 1 6 6 LYS CB C 13 34.841 34.841 32.441 2.400 18514
2524 1 10 . 1 1 6 6 LYS H H 13 8.064 8.064 8.213 -0.149 18514
2525 1 10 . 1 1 7 7 CYS N N 14 127.385 127.385 121.234 6.151 18514
2526 1 10 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.821 0.407 18514
2527 1 10 . 1 1 7 7 CYS C C 14 173.408 173.408 175.440 -2.032 18514
2528 1 10 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.795 -0.203 18514
2529 1 10 . 1 1 7 7 CYS CB C 14 34.861 34.861 30.455 4.406 18514
2530 1 10 . 1 1 7 7 CYS H H 14 9.943 9.943 8.388 1.555 18514
2531 1 10 . 1 1 8 8 ARG N N 15 117.940 117.940 119.961 -2.021 18514
2532 1 10 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.580 -0.234 18514
2533 1 10 . 1 1 8 8 ARG C C 15 175.808 175.808 175.861 -0.053 18514
2534 1 10 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.215 -0.844 18514
2535 1 10 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.198 0.533 18514
2536 1 10 . 1 1 8 8 ARG H H 15 8.835 8.835 8.514 0.321 18514
2537 1 10 . 1 1 9 9 CYS N N 16 122.323 122.323 118.569 3.754 18514
2538 1 10 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.676 -0.652 18514
2539 1 10 . 1 1 9 9 CYS C C 16 174.360 174.360 176.097 -1.737 18514
2540 1 10 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.230 0.009 18514
2541 1 10 . 1 1 9 9 CYS CB C 16 32.451 32.451 24.927 7.524 18514
2542 1 10 . 1 1 9 9 CYS H H 16 7.433 7.433 8.366 -0.933 18514
2543 1 10 . 1 1 10 10 GLY N N 17 108.065 108.065 115.793 -7.728 18514
2544 1 10 . 1 1 10 10 GLY C C 17 174.518 174.518 175.174 -0.656 18514
2545 1 10 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.596 -0.035 18514
2546 1 10 . 1 1 10 10 GLY H H 17 8.788 8.788 8.742 0.046 18514
2547 1 10 . 1 1 11 11 ILE N N 18 118.990 118.990 121.713 -2.723 18514
2548 1 10 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.014 -0.037 18514
2549 1 10 . 1 1 11 11 ILE C C 18 173.820 173.820 176.123 -2.303 18514
2550 1 10 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.492 0.098 18514
2551 1 10 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.888 -0.164 18514
2552 1 10 . 1 1 11 11 ILE H H 18 7.557 7.557 7.889 -0.332 18514
2553 1 10 . 1 1 12 12 SER N N 19 116.128 116.128 115.060 1.068 18514
2554 1 10 . 1 1 12 12 SER HA H 19 4.510 4.510 4.666 -0.156 18514
2555 1 10 . 1 1 12 12 SER C C 19 172.948 172.948 173.515 -0.567 18514
2556 1 10 . 1 1 12 12 SER CA C 19 58.200 58.200 57.564 0.636 18514
2557 1 10 . 1 1 12 12 SER CB C 19 63.800 63.800 64.501 -0.702 18514
2558 1 10 . 1 1 12 12 SER H H 19 8.418 8.418 7.597 0.821 18514
2559 1 10 . 1 1 13 13 GLY N N 20 110.984 110.984 114.317 -3.333 18514
2560 1 10 . 1 1 13 13 GLY C C 20 172.948 172.948 173.012 -0.064 18514
2561 1 10 . 1 1 13 13 GLY CA C 20 45.398 45.398 44.943 0.455 18514
2562 1 10 . 1 1 13 13 GLY H H 20 8.243 8.243 8.370 -0.127 18514
2563 1 10 . 1 1 14 14 SER N N 21 114.951 114.951 117.815 -2.864 18514
2564 1 10 . 1 1 14 14 SER HA H 21 4.535 4.535 4.745 -0.210 18514
2565 1 10 . 1 1 14 14 SER C C 21 175.376 175.376 175.797 -0.421 18514
2566 1 10 . 1 1 14 14 SER CA C 21 57.930 57.930 58.847 -0.917 18514
2567 1 10 . 1 1 14 14 SER CB C 21 64.080 64.080 64.276 -0.196 18514
2568 1 10 . 1 1 14 14 SER H H 21 8.250 8.250 8.207 0.043 18514
2569 1 10 . 1 1 15 15 SER N N 22 118.334 118.334 117.376 0.958 18514
2570 1 10 . 1 1 15 15 SER HA H 22 4.449 4.449 4.134 0.315 18514
2571 1 10 . 1 1 15 15 SER C C 22 174.863 174.863 173.879 0.984 18514
2572 1 10 . 1 1 15 15 SER CA C 22 57.767 57.767 61.015 -3.248 18514
2573 1 10 . 1 1 15 15 SER CB C 22 63.598 63.598 62.314 1.284 18514
2574 1 10 . 1 1 15 15 SER H H 22 8.427 8.427 9.116 -0.689 18514
2575 1 10 . 1 1 16 16 ASN N N 23 120.784 120.784 120.797 -0.013 18514
2576 1 10 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.841 -0.031 18514
2577 1 10 . 1 1 16 16 ASN C C 23 175.364 175.364 174.842 0.522 18514
2578 1 10 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.043 0.131 18514
2579 1 10 . 1 1 16 16 ASN CB C 23 38.467 38.467 38.099 0.368 18514
2580 1 10 . 1 1 16 16 ASN H H 23 8.453 8.453 8.226 0.227 18514
2581 1 10 . 1 1 17 17 THR N N 24 115.660 115.660 116.440 -0.780 18514
2582 1 10 . 1 1 17 17 THR HA H 24 4.346 4.346 4.509 -0.163 18514
2583 1 10 . 1 1 17 17 THR C C 24 173.428 173.428 174.762 -1.334 18514
2584 1 10 . 1 1 17 17 THR CA C 24 62.126 62.126 63.151 -1.025 18514
2585 1 10 . 1 1 17 17 THR CB C 24 68.777 68.777 69.804 -1.027 18514
2586 1 10 . 1 1 17 17 THR H H 24 8.417 8.417 7.909 0.508 18514
2587 1 10 . 1 1 18 18 LEU N N 25 121.190 121.190 117.541 3.649 18514
2588 1 10 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.605 -0.311 18514
2589 1 10 . 1 1 18 18 LEU C C 25 173.951 173.951 175.616 -1.665 18514
2590 1 10 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.548 -0.300 18514
2591 1 10 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.276 0.031 18514
2592 1 10 . 1 1 18 18 LEU H H 25 8.218 8.218 8.028 0.190 18514
2593 1 10 . 1 1 19 19 THR N N 26 106.988 106.988 105.721 1.267 18514
2594 1 10 . 1 1 19 19 THR HA H 26 4.230 4.230 4.561 -0.331 18514
2595 1 10 . 1 1 19 19 THR C C 26 171.429 171.429 175.313 -3.884 18514
2596 1 10 . 1 1 19 19 THR CA C 26 60.631 60.631 60.146 0.485 18514
2597 1 10 . 1 1 19 19 THR CB C 26 68.296 68.296 69.842 -1.546 18514
2598 1 10 . 1 1 19 19 THR H H 26 7.791 7.791 7.520 0.271 18514
2599 1 10 . 1 1 20 20 THR N N 27 121.441 121.441 118.915 2.526 18514
2600 1 10 . 1 1 20 20 THR HA H 27 3.976 3.976 4.285 -0.309 18514
2601 1 10 . 1 1 20 20 THR C C 27 175.121 175.121 176.137 -1.016 18514
2602 1 10 . 1 1 20 20 THR CA C 27 68.900 68.900 65.238 3.662 18514
2603 1 10 . 1 1 20 20 THR CB C 27 65.100 65.100 68.440 -3.340 18514
2604 1 10 . 1 1 20 20 THR H H 27 7.370 7.370 8.356 -0.986 18514
2605 1 10 . 1 1 21 21 CYS N N 28 121.174 121.174 117.881 3.293 18514
2606 1 10 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.548 -0.538 18514
2607 1 10 . 1 1 21 21 CYS C C 28 174.930 174.930 175.938 -1.008 18514
2608 1 10 . 1 1 21 21 CYS CA C 28 59.809 59.809 59.112 0.697 18514
2609 1 10 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.036 5.721 18514
2610 1 10 . 1 1 21 21 CYS H H 28 9.321 9.321 8.305 1.016 18514
2611 1 10 . 1 1 22 22 ARG N N 29 115.643 115.643 118.658 -3.015 18514
2612 1 10 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.195 -0.972 18514
2613 1 10 . 1 1 22 22 ARG C C 29 177.619 177.619 174.439 3.180 18514
2614 1 10 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.597 -3.767 18514
2615 1 10 . 1 1 22 22 ARG CB C 29 31.268 31.268 29.985 1.283 18514
2616 1 10 . 1 1 22 22 ARG H H 29 7.880 7.880 8.112 -0.232 18514
2617 1 10 . 1 1 23 23 ASN N N 30 113.854 113.854 115.236 -1.382 18514
2618 1 10 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.478 0.108 18514
2619 1 10 . 1 1 23 23 ASN C C 30 174.972 174.972 175.111 -0.139 18514
2620 1 10 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.384 0.092 18514
2621 1 10 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.568 0.785 18514
2622 1 10 . 1 1 23 23 ASN H H 30 6.816 6.816 7.256 -0.440 18514
2623 1 10 . 1 1 24 24 SER N N 31 113.788 113.788 114.102 -0.314 18514
2624 1 10 . 1 1 24 24 SER HA H 31 4.172 4.172 4.439 -0.267 18514
2625 1 10 . 1 1 24 24 SER C C 31 174.820 174.820 174.828 -0.008 18514
2626 1 10 . 1 1 24 24 SER CA C 31 61.080 61.080 60.599 0.481 18514
2627 1 10 . 1 1 24 24 SER CB C 31 63.425 63.425 62.907 0.518 18514
2628 1 10 . 1 1 24 24 SER H H 31 8.873 8.873 8.693 0.180 18514
2629 1 10 . 1 1 25 25 ARG N N 32 119.696 119.696 118.297 1.399 18514
2630 1 10 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.412 -0.205 18514
2631 1 10 . 1 1 25 25 ARG C C 32 175.482 175.482 176.100 -0.618 18514
2632 1 10 . 1 1 25 25 ARG CA C 32 57.018 57.018 55.127 1.891 18514
2633 1 10 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.260 -0.528 18514
2634 1 10 . 1 1 25 25 ARG H H 32 8.104 8.104 8.264 -0.160 18514
2635 1 10 . 1 1 26 26 CYS N N 33 123.061 123.061 123.154 -0.093 18514
2636 1 10 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.968 -0.281 18514
2637 1 10 . 1 1 26 26 CYS C C 33 173.064 173.064 173.907 -0.843 18514
2638 1 10 . 1 1 26 26 CYS CA C 33 55.700 55.700 56.223 -0.523 18514
2639 1 10 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.283 3.671 18514
2640 1 10 . 1 1 26 26 CYS H H 33 7.766 7.766 7.941 -0.175 18514
2641 1 10 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.379 -0.087 18514
2642 1 10 . 1 1 27 27 PRO CA C 34 64.266 64.266 64.983 -0.716 18514
2643 1 10 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.381 0.777 18514
2644 1 10 . 1 1 28 28 CYS N N 35 129.050 129.050 116.018 13.032 18514
2645 1 10 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.288 -0.658 18514
2646 1 10 . 1 1 28 28 CYS C C 35 171.254 171.254 176.420 -5.166 18514
2647 1 10 . 1 1 28 28 CYS CA C 35 62.585 62.585 62.797 -0.212 18514
2648 1 10 . 1 1 28 28 CYS CB C 35 29.247 29.247 26.260 2.987 18514
2649 1 10 . 1 1 28 28 CYS H H 35 8.368 8.368 7.754 0.614 18514
2650 1 10 . 1 1 29 29 TYR N N 36 124.364 124.364 122.250 2.114 18514
2651 1 10 . 1 1 29 29 TYR HA H 36 4.060 4.060 3.840 0.220 18514
2652 1 10 . 1 1 29 29 TYR C C 36 172.650 172.650 177.668 -5.018 18514
2653 1 10 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.445 0.676 18514
2654 1 10 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.266 -0.345 18514
2655 1 10 . 1 1 29 29 TYR H H 36 8.197 8.197 7.825 0.372 18514
2656 1 10 . 1 1 30 30 LYS N N 37 117.214 117.214 117.533 -0.319 18514
2657 1 10 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.777 0.002 18514
2658 1 10 . 1 1 30 30 LYS C C 37 172.650 172.650 176.762 -4.112 18514
2659 1 10 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.254 0.142 18514
2660 1 10 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.366 0.266 18514
2661 1 10 . 1 1 30 30 LYS H H 37 8.441 8.441 7.887 0.554 18514
2662 1 10 . 1 1 31 31 SER N N 38 109.671 109.671 113.156 -3.485 18514
2663 1 10 . 1 1 31 31 SER HA H 38 4.348 4.348 4.442 -0.094 18514
2664 1 10 . 1 1 31 31 SER C C 38 173.566 173.566 173.188 0.378 18514
2665 1 10 . 1 1 31 31 SER CA C 38 56.469 56.469 58.026 -1.556 18514
2666 1 10 . 1 1 31 31 SER CB C 38 63.461 63.461 63.745 -0.284 18514
2667 1 10 . 1 1 31 31 SER H H 38 7.180 7.180 7.258 -0.078 18514
2668 1 10 . 1 1 32 32 TYR N N 39 116.096 116.096 115.657 0.439 18514
2669 1 10 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.480 -0.393 18514
2670 1 10 . 1 1 32 32 TYR C C 39 176.728 176.728 174.855 1.873 18514
2671 1 10 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.239 -0.623 18514
2672 1 10 . 1 1 32 32 TYR CB C 39 34.550 34.550 35.350 -0.800 18514
2673 1 10 . 1 1 32 32 TYR H H 39 7.410 7.410 7.106 0.304 18514
2674 1 10 . 1 1 33 33 ASN N N 40 116.549 116.549 116.691 -0.142 18514
2675 1 10 . 1 1 33 33 ASN HA H 40 5.003 5.003 5.014 -0.011 18514
2676 1 10 . 1 1 33 33 ASN C C 40 176.083 176.083 174.717 1.366 18514
2677 1 10 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.646 -0.502 18514
2678 1 10 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.233 2.321 18514
2679 1 10 . 1 1 33 33 ASN H H 40 8.257 8.257 7.914 0.343 18514
2680 1 10 . 1 1 34 34 SER N N 41 115.071 115.071 114.522 0.549 18514
2681 1 10 . 1 1 34 34 SER HA H 41 4.477 4.477 4.954 -0.477 18514
2682 1 10 . 1 1 34 34 SER C C 41 174.850 174.850 175.118 -0.268 18514
2683 1 10 . 1 1 34 34 SER CA C 41 57.625 57.625 57.094 0.530 18514
2684 1 10 . 1 1 34 34 SER CB C 41 65.000 65.000 65.122 -0.122 18514
2685 1 10 . 1 1 34 34 SER H H 41 8.720 8.720 8.114 0.606 18514
2686 1 10 . 1 1 35 35 CYS N N 42 115.950 115.950 122.783 -6.833 18514
2687 1 10 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.630 1.050 18514
2688 1 10 . 1 1 35 35 CYS C C 42 174.850 174.850 174.770 0.080 18514
2689 1 10 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.947 0.837 18514
2690 1 10 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.627 7.321 18514
2691 1 10 . 1 1 35 35 CYS H H 42 8.696 8.696 9.063 -0.367 18514
2692 1 10 . 1 1 36 36 ALA N N 43 124.417 124.417 126.310 -1.893 18514
2693 1 10 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.541 -0.324 18514
2694 1 10 . 1 1 36 36 ALA C C 43 173.572 173.572 177.601 -4.029 18514
2695 1 10 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.701 2.628 18514
2696 1 10 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.947 -1.111 18514
2697 1 10 . 1 1 36 36 ALA H H 43 8.002 8.002 8.052 -0.050 18514
2698 1 10 . 1 1 37 37 GLY N N 44 113.524 113.524 111.709 1.815 18514
2699 1 10 . 1 1 37 37 GLY C C 44 170.263 170.263 174.192 -3.929 18514
2700 1 10 . 1 1 37 37 GLY CA C 44 45.717 45.717 45.057 0.660 18514
2701 1 10 . 1 1 37 37 GLY H H 44 8.932 8.932 8.760 0.172 18514
2702 1 10 . 1 1 38 38 CYS N N 45 120.184 120.184 118.571 1.613 18514
2703 1 10 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.738 -0.662 18514
2704 1 10 . 1 1 38 38 CYS C C 45 170.263 170.263 175.357 -5.094 18514
2705 1 10 . 1 1 38 38 CYS CA C 45 61.886 61.886 57.918 3.968 18514
2706 1 10 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.098 4.524 18514
2707 1 10 . 1 1 38 38 CYS H H 45 7.641 7.641 7.829 -0.188 18514
2708 1 10 . 1 1 39 39 HIS N N 46 118.156 118.156 118.628 -0.472 18514
2709 1 10 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.726 0.324 18514
2710 1 10 . 1 1 39 39 HIS C C 46 174.223 174.223 174.863 -0.640 18514
2711 1 10 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.707 -1.218 18514
2712 1 10 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.751 -0.063 18514
2713 1 10 . 1 1 39 39 HIS H H 46 8.234 8.234 8.834 -0.600 18514
2714 1 10 . 1 1 40 40 CYS N N 47 118.354 118.354 116.880 1.474 18514
2715 1 10 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.741 0.081 18514
2716 1 10 . 1 1 40 40 CYS C C 47 176.296 176.296 174.636 1.660 18514
2717 1 10 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.619 -1.023 18514
2718 1 10 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.045 6.193 18514
2719 1 10 . 1 1 40 40 CYS H H 47 7.403 7.403 7.809 -0.406 18514
2720 1 10 . 1 1 41 41 VAL N N 48 118.968 118.968 125.043 -6.075 18514
2721 1 10 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.233 -0.002 18514
2722 1 10 . 1 1 41 41 VAL C C 48 174.265 174.265 176.027 -1.762 18514
2723 1 10 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.568 -0.337 18514
2724 1 10 . 1 1 41 41 VAL CB C 48 34.698 34.698 33.066 1.632 18514
2725 1 10 . 1 1 41 41 VAL H H 48 8.205 8.205 8.724 -0.519 18514
2726 1 10 . 1 1 42 42 GLY N N 49 115.726 115.726 115.038 0.688 18514
2727 1 10 . 1 1 42 42 GLY C C 49 174.223 174.223 173.661 0.562 18514
2728 1 10 . 1 1 42 42 GLY CA C 49 46.113 46.113 44.907 1.206 18514
2729 1 10 . 1 1 42 42 GLY H H 49 8.634 8.634 8.644 -0.010 18514
2730 1 10 . 1 1 43 43 CYS N N 50 119.917 119.917 120.294 -0.377 18514
2731 1 10 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.458 -1.301 18514
2732 1 10 . 1 1 43 43 CYS C C 50 173.428 173.428 175.012 -1.584 18514
2733 1 10 . 1 1 43 43 CYS CA C 50 63.346 63.346 57.877 5.469 18514
2734 1 10 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.448 6.678 18514
2735 1 10 . 1 1 43 43 CYS H H 50 7.670 7.670 8.388 -0.718 18514
2736 1 10 . 1 1 44 44 LYS N N 51 128.057 128.057 130.364 -2.307 18514
2737 1 10 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.366 0.232 18514
2738 1 10 . 1 1 44 44 LYS C C 51 171.776 171.776 174.732 -2.956 18514
2739 1 10 . 1 1 44 44 LYS CA C 51 54.036 54.036 55.332 -1.296 18514
2740 1 10 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.945 -1.220 18514
2741 1 10 . 1 1 44 44 LYS H H 51 7.934 7.934 8.310 -0.376 18514
2742 1 10 . 1 1 45 45 ASN N N 52 125.259 125.259 122.541 2.718 18514
2743 1 10 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.144 -0.377 18514
2744 1 10 . 1 1 45 45 ASN C C 52 171.776 171.776 174.435 -2.659 18514
2745 1 10 . 1 1 45 45 ASN CA C 52 52.250 52.250 50.237 2.013 18514
2746 1 10 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.824 -0.304 18514
2747 1 10 . 1 1 45 45 ASN H H 52 9.076 9.076 8.309 0.767 18514
2748 1 10 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.463 0.000 18514
2749 1 10 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.635 -0.504 18514
2750 1 10 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.129 0.202 18514
2751 1 10 . 1 1 47 47 HIS N N 54 121.186 121.186 121.489 -0.303 18514
2752 1 10 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.754 -0.240 18514
2753 1 10 . 1 1 47 47 HIS C C 54 172.204 172.204 173.840 -1.636 18514
2754 1 10 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.185 1.119 18514
2755 1 10 . 1 1 47 47 HIS CB C 54 27.908 27.908 29.767 -1.859 18514
2756 1 10 . 1 1 47 47 HIS H H 54 8.236 8.236 8.059 0.177 18514
2757 1 10 . 1 1 48 48 LYS N N 55 123.556 123.556 124.314 -0.758 18514
2758 1 10 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.513 -0.052 18514
2759 1 10 . 1 1 48 48 LYS C C 55 175.066 175.066 176.077 -1.011 18514
2760 1 10 . 1 1 48 48 LYS CA C 55 55.320 55.320 55.165 0.155 18514
2761 1 10 . 1 1 48 48 LYS CB C 55 34.106 34.106 32.843 1.263 18514
2762 1 10 . 1 1 48 48 LYS H H 55 8.470 8.470 7.986 0.484 18514
2763 1 10 . 1 1 49 49 GLU N N 56 121.100 121.100 123.509 -2.409 18514
2764 1 10 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.312 0.039 18514
2765 1 10 . 1 1 49 49 GLU C C 56 173.210 173.210 175.430 -2.220 18514
2766 1 10 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.208 0.155 18514
2767 1 10 . 1 1 49 49 GLU CB C 56 30.623 30.623 30.489 0.134 18514
2768 1 10 . 1 1 49 49 GLU H H 56 8.523 8.523 8.483 0.040 18514
2769 1 10 . 1 1 50 50 ASP N N 57 121.579 121.579 123.438 -1.859 18514
2770 1 10 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.480 0.189 18514
2771 1 10 . 1 1 50 50 ASP C C 57 173.845 173.845 174.768 -0.923 18514
2772 1 10 . 1 1 50 50 ASP CA C 57 54.291 54.291 52.989 1.302 18514
2773 1 10 . 1 1 50 50 ASP CB C 57 41.452 41.452 42.602 -1.150 18514
2774 1 10 . 1 1 50 50 ASP H H 57 8.396 8.396 8.348 0.048 18514
2775 1 10 . 1 1 51 51 TYR N N 58 120.844 120.844 120.367 0.477 18514
2776 1 10 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.696 -0.179 18514
2777 1 10 . 1 1 51 51 TYR C C 58 173.968 173.968 175.942 -1.974 18514
2778 1 10 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.452 0.344 18514
2779 1 10 . 1 1 51 51 TYR CB C 58 38.958 38.958 39.096 -0.138 18514
2780 1 10 . 1 1 51 51 TYR H H 58 8.176 8.176 8.322 -0.146 18514
2781 1 11 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.800 -0.017 18514
2782 1 11 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.371 -0.564 18514
2783 1 11 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.633 -0.842 18514
2784 1 11 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.422 -0.019 18514
2785 1 11 . 1 1 3 3 PRO CA C 10 62.734 62.734 63.347 -0.613 18514
2786 1 11 . 1 1 3 3 PRO CB C 10 31.888 31.888 31.886 0.002 18514
2787 1 11 . 1 1 4 4 LYS N N 11 124.307 124.307 125.673 -1.366 18514
2788 1 11 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.459 0.056 18514
2789 1 11 . 1 1 4 4 LYS C C 11 173.272 173.272 174.812 -1.540 18514
2790 1 11 . 1 1 4 4 LYS CA C 11 54.281 54.281 54.334 -0.053 18514
2791 1 11 . 1 1 4 4 LYS CB C 11 31.920 31.920 31.660 0.260 18514
2792 1 11 . 1 1 4 4 LYS H H 11 8.380 8.380 8.246 0.134 18514
2793 1 11 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.353 0.083 18514
2794 1 11 . 1 1 5 5 PRO C C 12 127.380 127.380 175.768 -48.388 18514
2795 1 11 . 1 1 5 5 PRO CA C 12 62.793 62.793 63.258 -0.465 18514
2796 1 11 . 1 1 5 5 PRO CB C 12 32.082 32.082 31.996 0.086 18514
2797 1 11 . 1 1 6 6 LYS N N 13 118.851 118.851 120.528 -1.677 18514
2798 1 11 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.653 0.494 18514
2799 1 11 . 1 1 6 6 LYS C C 13 173.408 173.408 175.289 -1.881 18514
2800 1 11 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.397 0.060 18514
2801 1 11 . 1 1 6 6 LYS CB C 13 34.841 34.841 36.206 -1.365 18514
2802 1 11 . 1 1 6 6 LYS H H 13 8.064 8.064 8.138 -0.074 18514
2803 1 11 . 1 1 7 7 CYS N N 14 127.385 127.385 117.523 9.862 18514
2804 1 11 . 1 1 7 7 CYS HA H 14 5.228 5.228 5.003 0.225 18514
2805 1 11 . 1 1 7 7 CYS C C 14 173.408 173.408 174.203 -0.795 18514
2806 1 11 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.259 0.333 18514
2807 1 11 . 1 1 7 7 CYS CB C 14 34.861 34.861 30.945 3.916 18514
2808 1 11 . 1 1 7 7 CYS H H 14 9.943 9.943 8.423 1.520 18514
2809 1 11 . 1 1 8 8 ARG N N 15 117.940 117.940 119.045 -1.105 18514
2810 1 11 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.615 -0.269 18514
2811 1 11 . 1 1 8 8 ARG C C 15 175.808 175.808 176.074 -0.266 18514
2812 1 11 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.447 -1.076 18514
2813 1 11 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.248 0.482 18514
2814 1 11 . 1 1 8 8 ARG H H 15 8.835 8.835 8.622 0.213 18514
2815 1 11 . 1 1 9 9 CYS N N 16 122.323 122.323 117.729 4.594 18514
2816 1 11 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.355 -0.331 18514
2817 1 11 . 1 1 9 9 CYS C C 16 174.360 174.360 176.261 -1.901 18514
2818 1 11 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.751 -0.512 18514
2819 1 11 . 1 1 9 9 CYS CB C 16 32.451 32.451 26.669 5.782 18514
2820 1 11 . 1 1 9 9 CYS H H 16 7.433 7.433 8.302 -0.869 18514
2821 1 11 . 1 1 10 10 GLY N N 17 108.065 108.065 113.092 -5.027 18514
2822 1 11 . 1 1 10 10 GLY C C 17 174.518 174.518 175.215 -0.697 18514
2823 1 11 . 1 1 10 10 GLY CA C 17 45.560 45.560 46.185 -0.625 18514
2824 1 11 . 1 1 10 10 GLY H H 17 8.788 8.788 8.586 0.202 18514
2825 1 11 . 1 1 11 11 ILE N N 18 118.990 118.990 121.342 -2.352 18514
2826 1 11 . 1 1 11 11 ILE HA H 18 3.977 3.977 3.879 0.098 18514
2827 1 11 . 1 1 11 11 ILE C C 18 173.820 173.820 176.102 -2.282 18514
2828 1 11 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.409 0.181 18514
2829 1 11 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.314 0.410 18514
2830 1 11 . 1 1 11 11 ILE H H 18 7.557 7.557 7.422 0.135 18514
2831 1 11 . 1 1 12 12 SER N N 19 116.128 116.128 114.545 1.583 18514
2832 1 11 . 1 1 12 12 SER HA H 19 4.510 4.510 4.556 -0.046 18514
2833 1 11 . 1 1 12 12 SER C C 19 172.948 172.948 174.479 -1.531 18514
2834 1 11 . 1 1 12 12 SER CA C 19 58.200 58.200 57.133 1.067 18514
2835 1 11 . 1 1 12 12 SER CB C 19 63.800 63.800 63.855 -0.055 18514
2836 1 11 . 1 1 12 12 SER H H 19 8.418 8.418 7.686 0.732 18514
2837 1 11 . 1 1 13 13 GLY N N 20 110.984 110.984 112.486 -1.502 18514
2838 1 11 . 1 1 13 13 GLY C C 20 172.948 172.948 175.229 -2.281 18514
2839 1 11 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.395 0.003 18514
2840 1 11 . 1 1 13 13 GLY H H 20 8.243 8.243 8.912 -0.669 18514
2841 1 11 . 1 1 14 14 SER N N 21 114.951 114.951 115.660 -0.709 18514
2842 1 11 . 1 1 14 14 SER HA H 21 4.535 4.535 4.462 0.073 18514
2843 1 11 . 1 1 14 14 SER C C 21 175.376 175.376 175.377 -0.001 18514
2844 1 11 . 1 1 14 14 SER CA C 21 57.930 57.930 59.616 -1.686 18514
2845 1 11 . 1 1 14 14 SER CB C 21 64.080 64.080 63.075 1.005 18514
2846 1 11 . 1 1 14 14 SER H H 21 8.250 8.250 7.993 0.257 18514
2847 1 11 . 1 1 15 15 SER N N 22 118.334 118.334 115.806 2.528 18514
2848 1 11 . 1 1 15 15 SER HA H 22 4.449 4.449 4.347 0.102 18514
2849 1 11 . 1 1 15 15 SER C C 22 174.863 174.863 174.594 0.269 18514
2850 1 11 . 1 1 15 15 SER CA C 22 57.767 57.767 59.188 -1.421 18514
2851 1 11 . 1 1 15 15 SER CB C 22 63.598 63.598 63.818 -0.220 18514
2852 1 11 . 1 1 15 15 SER H H 22 8.427 8.427 8.260 0.167 18514
2853 1 11 . 1 1 16 16 ASN N N 23 120.784 120.784 118.389 2.395 18514
2854 1 11 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.760 0.050 18514
2855 1 11 . 1 1 16 16 ASN C C 23 175.364 175.364 173.800 1.564 18514
2856 1 11 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.397 -0.223 18514
2857 1 11 . 1 1 16 16 ASN CB C 23 38.467 38.467 40.227 -1.760 18514
2858 1 11 . 1 1 16 16 ASN H H 23 8.453 8.453 7.797 0.656 18514
2859 1 11 . 1 1 17 17 THR N N 24 115.660 115.660 117.676 -2.016 18514
2860 1 11 . 1 1 17 17 THR HA H 24 4.346 4.346 4.545 -0.199 18514
2861 1 11 . 1 1 17 17 THR C C 24 173.428 173.428 176.049 -2.621 18514
2862 1 11 . 1 1 17 17 THR CA C 24 62.126 62.126 64.295 -2.169 18514
2863 1 11 . 1 1 17 17 THR CB C 24 68.777 68.777 69.669 -0.893 18514
2864 1 11 . 1 1 17 17 THR H H 24 8.417 8.417 8.556 -0.139 18514
2865 1 11 . 1 1 18 18 LEU N N 25 121.190 121.190 120.137 1.053 18514
2866 1 11 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.360 -0.066 18514
2867 1 11 . 1 1 18 18 LEU C C 25 173.951 173.951 176.580 -2.629 18514
2868 1 11 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.039 0.209 18514
2869 1 11 . 1 1 18 18 LEU CB C 25 42.307 42.307 41.983 0.324 18514
2870 1 11 . 1 1 18 18 LEU H H 25 8.218 8.218 7.947 0.271 18514
2871 1 11 . 1 1 19 19 THR N N 26 106.988 106.988 109.595 -2.607 18514
2872 1 11 . 1 1 19 19 THR HA H 26 4.230 4.230 4.743 -0.513 18514
2873 1 11 . 1 1 19 19 THR C C 26 171.429 171.429 174.684 -3.255 18514
2874 1 11 . 1 1 19 19 THR CA C 26 60.631 60.631 59.940 0.691 18514
2875 1 11 . 1 1 19 19 THR CB C 26 68.296 68.296 68.891 -0.595 18514
2876 1 11 . 1 1 19 19 THR H H 26 7.791 7.791 8.323 -0.532 18514
2877 1 11 . 1 1 20 20 THR N N 27 121.441 121.441 118.417 3.024 18514
2878 1 11 . 1 1 20 20 THR HA H 27 3.976 3.976 3.952 0.024 18514
2879 1 11 . 1 1 20 20 THR C C 27 175.121 175.121 176.000 -0.879 18514
2880 1 11 . 1 1 20 20 THR CA C 27 68.900 68.900 65.770 3.130 18514
2881 1 11 . 1 1 20 20 THR CB C 27 65.100 65.100 68.245 -3.145 18514
2882 1 11 . 1 1 20 20 THR H H 27 7.370 7.370 7.680 -0.310 18514
2883 1 11 . 1 1 21 21 CYS N N 28 121.174 121.174 117.238 3.936 18514
2884 1 11 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.598 -0.588 18514
2885 1 11 . 1 1 21 21 CYS C C 28 174.930 174.930 175.192 -0.262 18514
2886 1 11 . 1 1 21 21 CYS CA C 28 59.809 59.809 59.447 0.362 18514
2887 1 11 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.023 5.734 18514
2888 1 11 . 1 1 21 21 CYS H H 28 9.321 9.321 8.417 0.904 18514
2889 1 11 . 1 1 22 22 ARG N N 29 115.643 115.643 119.093 -3.450 18514
2890 1 11 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.011 -0.788 18514
2891 1 11 . 1 1 22 22 ARG C C 29 177.619 177.619 175.562 2.057 18514
2892 1 11 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.755 -3.925 18514
2893 1 11 . 1 1 22 22 ARG CB C 29 31.268 31.268 31.242 0.026 18514
2894 1 11 . 1 1 22 22 ARG H H 29 7.880 7.880 7.644 0.236 18514
2895 1 11 . 1 1 23 23 ASN N N 30 113.854 113.854 116.662 -2.808 18514
2896 1 11 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.677 -0.091 18514
2897 1 11 . 1 1 23 23 ASN C C 30 174.972 174.972 176.344 -1.372 18514
2898 1 11 . 1 1 23 23 ASN CA C 30 51.476 51.476 52.236 -0.760 18514
2899 1 11 . 1 1 23 23 ASN CB C 30 41.353 41.353 39.816 1.537 18514
2900 1 11 . 1 1 23 23 ASN H H 30 6.816 6.816 7.642 -0.826 18514
2901 1 11 . 1 1 24 24 SER N N 31 113.788 113.788 114.772 -0.984 18514
2902 1 11 . 1 1 24 24 SER HA H 31 4.172 4.172 4.308 -0.136 18514
2903 1 11 . 1 1 24 24 SER C C 31 174.820 174.820 174.837 -0.017 18514
2904 1 11 . 1 1 24 24 SER CA C 31 61.080 61.080 60.784 0.296 18514
2905 1 11 . 1 1 24 24 SER CB C 31 63.425 63.425 62.904 0.521 18514
2906 1 11 . 1 1 24 24 SER H H 31 8.873 8.873 8.724 0.149 18514
2907 1 11 . 1 1 25 25 ARG N N 32 119.696 119.696 118.309 1.387 18514
2908 1 11 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.361 -0.154 18514
2909 1 11 . 1 1 25 25 ARG C C 32 175.482 175.482 176.367 -0.885 18514
2910 1 11 . 1 1 25 25 ARG CA C 32 57.018 57.018 55.358 1.661 18514
2911 1 11 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.115 -0.383 18514
2912 1 11 . 1 1 25 25 ARG H H 32 8.104 8.104 8.093 0.011 18514
2913 1 11 . 1 1 26 26 CYS N N 33 123.061 123.061 122.732 0.329 18514
2914 1 11 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.929 -0.242 18514
2915 1 11 . 1 1 26 26 CYS C C 33 173.064 173.064 174.107 -1.043 18514
2916 1 11 . 1 1 26 26 CYS CA C 33 55.700 55.700 56.311 -0.611 18514
2917 1 11 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.380 3.574 18514
2918 1 11 . 1 1 26 26 CYS H H 33 7.766 7.766 7.815 -0.049 18514
2919 1 11 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.265 0.027 18514
2920 1 11 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.269 -1.003 18514
2921 1 11 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.567 0.591 18514
2922 1 11 . 1 1 28 28 CYS N N 35 129.050 129.050 117.324 11.726 18514
2923 1 11 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.422 -0.792 18514
2924 1 11 . 1 1 28 28 CYS C C 35 171.254 171.254 177.373 -6.119 18514
2925 1 11 . 1 1 28 28 CYS CA C 35 62.585 62.585 62.879 -0.294 18514
2926 1 11 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.665 3.582 18514
2927 1 11 . 1 1 28 28 CYS H H 35 8.368 8.368 7.878 0.490 18514
2928 1 11 . 1 1 29 29 TYR N N 36 124.364 124.364 120.812 3.552 18514
2929 1 11 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.171 -0.111 18514
2930 1 11 . 1 1 29 29 TYR C C 36 172.650 172.650 177.440 -4.790 18514
2931 1 11 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.395 0.726 18514
2932 1 11 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.493 -0.572 18514
2933 1 11 . 1 1 29 29 TYR H H 36 8.197 8.197 7.888 0.309 18514
2934 1 11 . 1 1 30 30 LYS N N 37 117.214 117.214 116.946 0.268 18514
2935 1 11 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.904 -0.125 18514
2936 1 11 . 1 1 30 30 LYS C C 37 172.650 172.650 177.363 -4.713 18514
2937 1 11 . 1 1 30 30 LYS CA C 37 58.396 58.396 57.536 0.860 18514
2938 1 11 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.419 0.214 18514
2939 1 11 . 1 1 30 30 LYS H H 37 8.441 8.441 7.480 0.961 18514
2940 1 11 . 1 1 31 31 SER N N 38 109.671 109.671 112.898 -3.227 18514
2941 1 11 . 1 1 31 31 SER HA H 38 4.348 4.348 4.229 0.119 18514
2942 1 11 . 1 1 31 31 SER C C 38 173.566 173.566 173.407 0.159 18514
2943 1 11 . 1 1 31 31 SER CA C 38 56.469 56.469 58.397 -1.928 18514
2944 1 11 . 1 1 31 31 SER CB C 38 63.461 63.461 63.800 -0.339 18514
2945 1 11 . 1 1 31 31 SER H H 38 7.180 7.180 7.623 -0.443 18514
2946 1 11 . 1 1 32 32 TYR N N 39 116.096 116.096 115.115 0.981 18514
2947 1 11 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.500 -0.413 18514
2948 1 11 . 1 1 32 32 TYR C C 39 176.728 176.728 174.258 2.470 18514
2949 1 11 . 1 1 32 32 TYR CA C 39 58.616 58.616 58.670 -0.054 18514
2950 1 11 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.430 0.120 18514
2951 1 11 . 1 1 32 32 TYR H H 39 7.410 7.410 7.073 0.337 18514
2952 1 11 . 1 1 33 33 ASN N N 40 116.549 116.549 117.754 -1.205 18514
2953 1 11 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.838 0.165 18514
2954 1 11 . 1 1 33 33 ASN C C 40 176.083 176.083 174.182 1.901 18514
2955 1 11 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.708 -0.564 18514
2956 1 11 . 1 1 33 33 ASN CB C 40 43.554 43.554 40.191 3.363 18514
2957 1 11 . 1 1 33 33 ASN H H 40 8.257 8.257 8.056 0.201 18514
2958 1 11 . 1 1 34 34 SER N N 41 115.071 115.071 115.130 -0.059 18514
2959 1 11 . 1 1 34 34 SER HA H 41 4.477 4.477 4.631 -0.154 18514
2960 1 11 . 1 1 34 34 SER C C 41 174.850 174.850 174.794 0.056 18514
2961 1 11 . 1 1 34 34 SER CA C 41 57.625 57.625 57.318 0.307 18514
2962 1 11 . 1 1 34 34 SER CB C 41 65.000 65.000 65.511 -0.511 18514
2963 1 11 . 1 1 34 34 SER H H 41 8.720 8.720 8.180 0.540 18514
2964 1 11 . 1 1 35 35 CYS N N 42 115.950 115.950 121.668 -5.718 18514
2965 1 11 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.741 0.939 18514
2966 1 11 . 1 1 35 35 CYS C C 42 174.850 174.850 175.856 -1.006 18514
2967 1 11 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.758 1.026 18514
2968 1 11 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.938 7.010 18514
2969 1 11 . 1 1 35 35 CYS H H 42 8.696 8.696 9.086 -0.390 18514
2970 1 11 . 1 1 36 36 ALA N N 43 124.417 124.417 124.040 0.377 18514
2971 1 11 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.275 -0.058 18514
2972 1 11 . 1 1 36 36 ALA C C 43 173.572 173.572 177.052 -3.480 18514
2973 1 11 . 1 1 36 36 ALA CA C 43 54.329 54.329 52.725 1.604 18514
2974 1 11 . 1 1 36 36 ALA CB C 43 17.835 17.835 17.745 0.090 18514
2975 1 11 . 1 1 36 36 ALA H H 43 8.002 8.002 8.132 -0.130 18514
2976 1 11 . 1 1 37 37 GLY N N 44 113.524 113.524 111.481 2.043 18514
2977 1 11 . 1 1 37 37 GLY C C 44 170.263 170.263 174.891 -4.628 18514
2978 1 11 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.568 1.149 18514
2979 1 11 . 1 1 37 37 GLY H H 44 8.932 8.932 8.168 0.764 18514
2980 1 11 . 1 1 38 38 CYS N N 45 120.184 120.184 119.217 0.967 18514
2981 1 11 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.453 -0.377 18514
2982 1 11 . 1 1 38 38 CYS C C 45 170.263 170.263 175.001 -4.738 18514
2983 1 11 . 1 1 38 38 CYS CA C 45 61.886 61.886 60.093 1.793 18514
2984 1 11 . 1 1 38 38 CYS CB C 45 33.622 33.622 27.810 5.812 18514
2985 1 11 . 1 1 38 38 CYS H H 45 7.641 7.641 7.580 0.061 18514
2986 1 11 . 1 1 39 39 HIS N N 46 118.156 118.156 118.913 -0.757 18514
2987 1 11 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.707 0.343 18514
2988 1 11 . 1 1 39 39 HIS C C 46 174.223 174.223 175.197 -0.974 18514
2989 1 11 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.752 -1.263 18514
2990 1 11 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.646 0.042 18514
2991 1 11 . 1 1 39 39 HIS H H 46 8.234 8.234 8.684 -0.450 18514
2992 1 11 . 1 1 40 40 CYS N N 47 118.354 118.354 117.184 1.170 18514
2993 1 11 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.908 -0.086 18514
2994 1 11 . 1 1 40 40 CYS C C 47 176.296 176.296 175.316 0.980 18514
2995 1 11 . 1 1 40 40 CYS CA C 47 55.596 55.596 57.113 -1.517 18514
2996 1 11 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.381 5.856 18514
2997 1 11 . 1 1 40 40 CYS H H 47 7.403 7.403 7.787 -0.384 18514
2998 1 11 . 1 1 41 41 VAL N N 48 118.968 118.968 125.286 -6.318 18514
2999 1 11 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.207 0.024 18514
3000 1 11 . 1 1 41 41 VAL C C 48 174.265 174.265 176.640 -2.375 18514
3001 1 11 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.621 -0.390 18514
3002 1 11 . 1 1 41 41 VAL CB C 48 34.698 34.698 31.752 2.946 18514
3003 1 11 . 1 1 41 41 VAL H H 48 8.205 8.205 8.783 -0.578 18514
3004 1 11 . 1 1 42 42 GLY N N 49 115.726 115.726 116.554 -0.828 18514
3005 1 11 . 1 1 42 42 GLY C C 49 174.223 174.223 174.060 0.163 18514
3006 1 11 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.346 0.767 18514
3007 1 11 . 1 1 42 42 GLY H H 49 8.634 8.634 8.790 -0.156 18514
3008 1 11 . 1 1 43 43 CYS N N 50 119.917 119.917 117.483 2.434 18514
3009 1 11 . 1 1 43 43 CYS HA H 50 3.157 3.157 5.014 -1.857 18514
3010 1 11 . 1 1 43 43 CYS C C 50 173.428 173.428 175.752 -2.324 18514
3011 1 11 . 1 1 43 43 CYS CA C 50 63.346 63.346 56.111 7.235 18514
3012 1 11 . 1 1 43 43 CYS CB C 50 33.126 33.126 28.799 4.327 18514
3013 1 11 . 1 1 43 43 CYS H H 50 7.670 7.670 8.203 -0.533 18514
3014 1 11 . 1 1 44 44 LYS N N 51 128.057 128.057 127.374 0.683 18514
3015 1 11 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.376 0.222 18514
3016 1 11 . 1 1 44 44 LYS C C 51 171.776 171.776 175.165 -3.389 18514
3017 1 11 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.841 -0.805 18514
3018 1 11 . 1 1 44 44 LYS CB C 51 31.725 31.725 31.354 0.371 18514
3019 1 11 . 1 1 44 44 LYS H H 51 7.934 7.934 8.341 -0.407 18514
3020 1 11 . 1 1 45 45 ASN N N 52 125.259 125.259 123.475 1.784 18514
3021 1 11 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.099 -0.332 18514
3022 1 11 . 1 1 45 45 ASN C C 52 171.776 171.776 174.283 -2.507 18514
3023 1 11 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.827 2.423 18514
3024 1 11 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.864 -0.344 18514
3025 1 11 . 1 1 45 45 ASN H H 52 9.076 9.076 8.000 1.076 18514
3026 1 11 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.337 0.126 18514
3027 1 11 . 1 1 46 46 PRO CA C 53 63.131 63.131 64.071 -0.940 18514
3028 1 11 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.178 0.153 18514
3029 1 11 . 1 1 47 47 HIS N N 54 121.186 121.186 118.762 2.424 18514
3030 1 11 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.628 -0.114 18514
3031 1 11 . 1 1 47 47 HIS C C 54 172.204 172.204 174.594 -2.390 18514
3032 1 11 . 1 1 47 47 HIS CA C 54 56.304 56.304 56.356 -0.052 18514
3033 1 11 . 1 1 47 47 HIS CB C 54 27.908 27.908 30.682 -2.774 18514
3034 1 11 . 1 1 47 47 HIS H H 54 8.236 8.236 8.711 -0.475 18514
3035 1 11 . 1 1 48 48 LYS N N 55 123.556 123.556 122.286 1.270 18514
3036 1 11 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.482 -0.021 18514
3037 1 11 . 1 1 48 48 LYS C C 55 175.066 175.066 175.896 -0.830 18514
3038 1 11 . 1 1 48 48 LYS CA C 55 55.320 55.320 55.119 0.201 18514
3039 1 11 . 1 1 48 48 LYS CB C 55 34.106 34.106 34.635 -0.529 18514
3040 1 11 . 1 1 48 48 LYS H H 55 8.470 8.470 8.265 0.205 18514
3041 1 11 . 1 1 49 49 GLU N N 56 121.100 121.100 122.667 -1.567 18514
3042 1 11 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.254 0.097 18514
3043 1 11 . 1 1 49 49 GLU C C 56 173.210 173.210 175.612 -2.402 18514
3044 1 11 . 1 1 49 49 GLU CA C 56 56.363 56.363 57.428 -1.065 18514
3045 1 11 . 1 1 49 49 GLU CB C 56 30.623 30.623 30.249 0.374 18514
3046 1 11 . 1 1 49 49 GLU H H 56 8.523 8.523 8.503 0.020 18514
3047 1 11 . 1 1 50 50 ASP N N 57 121.579 121.579 123.919 -2.340 18514
3048 1 11 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.730 -0.061 18514
3049 1 11 . 1 1 50 50 ASP C C 57 173.845 173.845 174.765 -0.920 18514
3050 1 11 . 1 1 50 50 ASP CA C 57 54.291 54.291 53.024 1.267 18514
3051 1 11 . 1 1 50 50 ASP CB C 57 41.452 41.452 42.561 -1.109 18514
3052 1 11 . 1 1 50 50 ASP H H 57 8.396 8.396 8.318 0.078 18514
3053 1 11 . 1 1 51 51 TYR N N 58 120.844 120.844 122.009 -1.165 18514
3054 1 11 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.518 -0.001 18514
3055 1 11 . 1 1 51 51 TYR C C 58 173.968 173.968 174.628 -0.660 18514
3056 1 11 . 1 1 51 51 TYR CA C 58 57.796 57.796 58.062 -0.266 18514
3057 1 11 . 1 1 51 51 TYR CB C 58 38.958 38.958 37.818 1.140 18514
3058 1 11 . 1 1 51 51 TYR H H 58 8.176 8.176 8.632 -0.456 18514
3059 1 12 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.671 0.112 18514
3060 1 12 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.478 -0.671 18514
3061 1 12 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.050 -0.259 18514
3062 1 12 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.509 -0.106 18514
3063 1 12 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.803 -0.069 18514
3064 1 12 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.370 -0.482 18514
3065 1 12 . 1 1 4 4 LYS N N 11 124.307 124.307 122.051 2.256 18514
3066 1 12 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.581 -0.066 18514
3067 1 12 . 1 1 4 4 LYS C C 11 173.272 173.272 174.835 -1.563 18514
3068 1 12 . 1 1 4 4 LYS CA C 11 54.281 54.281 54.621 -0.340 18514
3069 1 12 . 1 1 4 4 LYS CB C 11 31.920 31.920 32.005 -0.085 18514
3070 1 12 . 1 1 4 4 LYS H H 11 8.380 8.380 8.143 0.237 18514
3071 1 12 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.393 0.043 18514
3072 1 12 . 1 1 5 5 PRO C C 12 127.380 127.380 175.178 -47.798 18514
3073 1 12 . 1 1 5 5 PRO CA C 12 62.793 62.793 63.120 -0.327 18514
3074 1 12 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.319 -0.237 18514
3075 1 12 . 1 1 6 6 LYS N N 13 118.851 118.851 120.239 -1.388 18514
3076 1 12 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.598 0.549 18514
3077 1 12 . 1 1 6 6 LYS C C 13 173.408 173.408 175.744 -2.336 18514
3078 1 12 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.525 -0.068 18514
3079 1 12 . 1 1 6 6 LYS CB C 13 34.841 34.841 36.221 -1.380 18514
3080 1 12 . 1 1 6 6 LYS H H 13 8.064 8.064 8.139 -0.075 18514
3081 1 12 . 1 1 7 7 CYS N N 14 127.385 127.385 118.224 9.161 18514
3082 1 12 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.896 0.332 18514
3083 1 12 . 1 1 7 7 CYS C C 14 173.408 173.408 174.454 -1.046 18514
3084 1 12 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.855 -0.263 18514
3085 1 12 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.646 3.215 18514
3086 1 12 . 1 1 7 7 CYS H H 14 9.943 9.943 8.532 1.411 18514
3087 1 12 . 1 1 8 8 ARG N N 15 117.940 117.940 120.845 -2.905 18514
3088 1 12 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.719 -0.373 18514
3089 1 12 . 1 1 8 8 ARG C C 15 175.808 175.808 175.989 -0.181 18514
3090 1 12 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.324 -0.953 18514
3091 1 12 . 1 1 8 8 ARG CB C 15 30.731 30.731 29.961 0.770 18514
3092 1 12 . 1 1 8 8 ARG H H 15 8.835 8.835 8.591 0.244 18514
3093 1 12 . 1 1 9 9 CYS N N 16 122.323 122.323 117.267 5.056 18514
3094 1 12 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.323 -0.299 18514
3095 1 12 . 1 1 9 9 CYS C C 16 174.360 174.360 175.995 -1.635 18514
3096 1 12 . 1 1 9 9 CYS CA C 16 60.239 60.239 61.094 -0.855 18514
3097 1 12 . 1 1 9 9 CYS CB C 16 32.451 32.451 27.462 4.989 18514
3098 1 12 . 1 1 9 9 CYS H H 16 7.433 7.433 8.371 -0.938 18514
3099 1 12 . 1 1 10 10 GLY N N 17 108.065 108.065 110.326 -2.261 18514
3100 1 12 . 1 1 10 10 GLY C C 17 174.518 174.518 175.629 -1.111 18514
3101 1 12 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.945 -0.385 18514
3102 1 12 . 1 1 10 10 GLY H H 17 8.788 8.788 8.863 -0.075 18514
3103 1 12 . 1 1 11 11 ILE N N 18 118.990 118.990 120.258 -1.268 18514
3104 1 12 . 1 1 11 11 ILE HA H 18 3.977 3.977 3.898 0.079 18514
3105 1 12 . 1 1 11 11 ILE C C 18 173.820 173.820 175.723 -1.903 18514
3106 1 12 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.272 0.318 18514
3107 1 12 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.047 0.677 18514
3108 1 12 . 1 1 11 11 ILE H H 18 7.557 7.557 7.602 -0.045 18514
3109 1 12 . 1 1 12 12 SER N N 19 116.128 116.128 115.490 0.638 18514
3110 1 12 . 1 1 12 12 SER HA H 19 4.510 4.510 4.676 -0.166 18514
3111 1 12 . 1 1 12 12 SER C C 19 172.948 172.948 174.081 -1.133 18514
3112 1 12 . 1 1 12 12 SER CA C 19 58.200 58.200 57.816 0.384 18514
3113 1 12 . 1 1 12 12 SER CB C 19 63.800 63.800 62.474 1.326 18514
3114 1 12 . 1 1 12 12 SER H H 19 8.418 8.418 7.859 0.559 18514
3115 1 12 . 1 1 13 13 GLY N N 20 110.984 110.984 111.084 -0.100 18514
3116 1 12 . 1 1 13 13 GLY C C 20 172.948 172.948 174.891 -1.943 18514
3117 1 12 . 1 1 13 13 GLY CA C 20 45.398 45.398 44.967 0.431 18514
3118 1 12 . 1 1 13 13 GLY H H 20 8.243 8.243 8.511 -0.268 18514
3119 1 12 . 1 1 14 14 SER N N 21 114.951 114.951 117.731 -2.780 18514
3120 1 12 . 1 1 14 14 SER HA H 21 4.535 4.535 4.336 0.199 18514
3121 1 12 . 1 1 14 14 SER C C 21 175.376 175.376 175.779 -0.403 18514
3122 1 12 . 1 1 14 14 SER CA C 21 57.930 57.930 60.944 -3.014 18514
3123 1 12 . 1 1 14 14 SER CB C 21 64.080 64.080 63.426 0.654 18514
3124 1 12 . 1 1 14 14 SER H H 21 8.250 8.250 8.337 -0.087 18514
3125 1 12 . 1 1 15 15 SER N N 22 118.334 118.334 114.534 3.800 18514
3126 1 12 . 1 1 15 15 SER HA H 22 4.449 4.449 4.480 -0.031 18514
3127 1 12 . 1 1 15 15 SER C C 22 174.863 174.863 174.128 0.735 18514
3128 1 12 . 1 1 15 15 SER CA C 22 57.767 57.767 58.936 -1.169 18514
3129 1 12 . 1 1 15 15 SER CB C 22 63.598 63.598 63.604 -0.006 18514
3130 1 12 . 1 1 15 15 SER H H 22 8.427 8.427 8.009 0.418 18514
3131 1 12 . 1 1 16 16 ASN N N 23 120.784 120.784 119.691 1.093 18514
3132 1 12 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.976 -0.166 18514
3133 1 12 . 1 1 16 16 ASN C C 23 175.364 175.364 175.358 0.006 18514
3134 1 12 . 1 1 16 16 ASN CA C 23 53.174 53.174 52.068 1.106 18514
3135 1 12 . 1 1 16 16 ASN CB C 23 38.467 38.467 37.748 0.719 18514
3136 1 12 . 1 1 16 16 ASN H H 23 8.453 8.453 8.297 0.156 18514
3137 1 12 . 1 1 17 17 THR N N 24 115.660 115.660 117.843 -2.183 18514
3138 1 12 . 1 1 17 17 THR HA H 24 4.346 4.346 4.464 -0.118 18514
3139 1 12 . 1 1 17 17 THR C C 24 173.428 173.428 174.611 -1.183 18514
3140 1 12 . 1 1 17 17 THR CA C 24 62.126 62.126 65.168 -3.042 18514
3141 1 12 . 1 1 17 17 THR CB C 24 68.777 68.777 69.798 -1.021 18514
3142 1 12 . 1 1 17 17 THR H H 24 8.417 8.417 7.953 0.464 18514
3143 1 12 . 1 1 18 18 LEU N N 25 121.190 121.190 118.997 2.193 18514
3144 1 12 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.617 -0.323 18514
3145 1 12 . 1 1 18 18 LEU C C 25 173.951 173.951 177.385 -3.434 18514
3146 1 12 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.865 -0.617 18514
3147 1 12 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.856 -0.549 18514
3148 1 12 . 1 1 18 18 LEU H H 25 8.218 8.218 8.117 0.101 18514
3149 1 12 . 1 1 19 19 THR N N 26 106.988 106.988 109.499 -2.511 18514
3150 1 12 . 1 1 19 19 THR HA H 26 4.230 4.230 4.144 0.086 18514
3151 1 12 . 1 1 19 19 THR C C 26 171.429 171.429 175.535 -4.106 18514
3152 1 12 . 1 1 19 19 THR CA C 26 60.631 60.631 62.800 -2.169 18514
3153 1 12 . 1 1 19 19 THR CB C 26 68.296 68.296 69.032 -0.736 18514
3154 1 12 . 1 1 19 19 THR H H 26 7.791 7.791 8.178 -0.387 18514
3155 1 12 . 1 1 20 20 THR N N 27 121.441 121.441 117.788 3.653 18514
3156 1 12 . 1 1 20 20 THR HA H 27 3.976 3.976 4.265 -0.289 18514
3157 1 12 . 1 1 20 20 THR C C 27 175.121 175.121 175.903 -0.782 18514
3158 1 12 . 1 1 20 20 THR CA C 27 68.900 68.900 65.435 3.465 18514
3159 1 12 . 1 1 20 20 THR CB C 27 65.100 65.100 68.758 -3.658 18514
3160 1 12 . 1 1 20 20 THR H H 27 7.370 7.370 8.154 -0.784 18514
3161 1 12 . 1 1 21 21 CYS N N 28 121.174 121.174 116.022 5.152 18514
3162 1 12 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.505 -0.495 18514
3163 1 12 . 1 1 21 21 CYS C C 28 174.930 174.930 174.626 0.304 18514
3164 1 12 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.654 1.155 18514
3165 1 12 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.371 5.386 18514
3166 1 12 . 1 1 21 21 CYS H H 28 9.321 9.321 8.257 1.064 18514
3167 1 12 . 1 1 22 22 ARG N N 29 115.643 115.643 118.150 -2.507 18514
3168 1 12 . 1 1 22 22 ARG HA H 29 3.223 3.223 3.881 -0.658 18514
3169 1 12 . 1 1 22 22 ARG C C 29 177.619 177.619 174.295 3.324 18514
3170 1 12 . 1 1 22 22 ARG CA C 29 52.830 52.830 55.909 -3.079 18514
3171 1 12 . 1 1 22 22 ARG CB C 29 31.268 31.268 29.735 1.533 18514
3172 1 12 . 1 1 22 22 ARG H H 29 7.880 7.880 8.042 -0.162 18514
3173 1 12 . 1 1 23 23 ASN N N 30 113.854 113.854 114.716 -0.862 18514
3174 1 12 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.551 0.035 18514
3175 1 12 . 1 1 23 23 ASN C C 30 174.972 174.972 175.207 -0.235 18514
3176 1 12 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.641 -0.165 18514
3177 1 12 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.585 0.768 18514
3178 1 12 . 1 1 23 23 ASN H H 30 6.816 6.816 7.126 -0.310 18514
3179 1 12 . 1 1 24 24 SER N N 31 113.788 113.788 114.485 -0.697 18514
3180 1 12 . 1 1 24 24 SER HA H 31 4.172 4.172 4.504 -0.332 18514
3181 1 12 . 1 1 24 24 SER C C 31 174.820 174.820 174.991 -0.171 18514
3182 1 12 . 1 1 24 24 SER CA C 31 61.080 61.080 60.431 0.649 18514
3183 1 12 . 1 1 24 24 SER CB C 31 63.425 63.425 62.961 0.465 18514
3184 1 12 . 1 1 24 24 SER H H 31 8.873 8.873 8.747 0.126 18514
3185 1 12 . 1 1 25 25 ARG N N 32 119.696 119.696 118.466 1.230 18514
3186 1 12 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.414 -0.207 18514
3187 1 12 . 1 1 25 25 ARG C C 32 175.482 175.482 175.963 -0.481 18514
3188 1 12 . 1 1 25 25 ARG CA C 32 57.018 57.018 55.463 1.555 18514
3189 1 12 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.367 -0.635 18514
3190 1 12 . 1 1 25 25 ARG H H 32 8.104 8.104 8.172 -0.068 18514
3191 1 12 . 1 1 26 26 CYS N N 33 123.061 123.061 122.802 0.259 18514
3192 1 12 . 1 1 26 26 CYS HA H 33 4.687 4.687 5.030 -0.343 18514
3193 1 12 . 1 1 26 26 CYS C C 33 173.064 173.064 173.986 -0.922 18514
3194 1 12 . 1 1 26 26 CYS CA C 33 55.700 55.700 56.072 -0.372 18514
3195 1 12 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.355 3.599 18514
3196 1 12 . 1 1 26 26 CYS H H 33 7.766 7.766 7.872 -0.106 18514
3197 1 12 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.273 0.019 18514
3198 1 12 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.364 -1.098 18514
3199 1 12 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.617 0.541 18514
3200 1 12 . 1 1 28 28 CYS N N 35 129.050 129.050 115.944 13.106 18514
3201 1 12 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.159 -0.529 18514
3202 1 12 . 1 1 28 28 CYS C C 35 171.254 171.254 176.610 -5.356 18514
3203 1 12 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.452 -0.867 18514
3204 1 12 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.704 3.543 18514
3205 1 12 . 1 1 28 28 CYS H H 35 8.368 8.368 8.220 0.148 18514
3206 1 12 . 1 1 29 29 TYR N N 36 124.364 124.364 120.742 3.622 18514
3207 1 12 . 1 1 29 29 TYR HA H 36 4.060 4.060 3.931 0.129 18514
3208 1 12 . 1 1 29 29 TYR C C 36 172.650 172.650 176.917 -4.267 18514
3209 1 12 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.318 0.803 18514
3210 1 12 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.484 -0.563 18514
3211 1 12 . 1 1 29 29 TYR H H 36 8.197 8.197 7.735 0.462 18514
3212 1 12 . 1 1 30 30 LYS N N 37 117.214 117.214 116.178 1.036 18514
3213 1 12 . 1 1 30 30 LYS HA H 37 3.779 3.779 4.063 -0.284 18514
3214 1 12 . 1 1 30 30 LYS C C 37 172.650 172.650 178.386 -5.736 18514
3215 1 12 . 1 1 30 30 LYS CA C 37 58.396 58.396 57.739 0.657 18514
3216 1 12 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.677 -0.045 18514
3217 1 12 . 1 1 30 30 LYS H H 37 8.441 8.441 7.862 0.579 18514
3218 1 12 . 1 1 31 31 SER N N 38 109.671 109.671 113.848 -4.177 18514
3219 1 12 . 1 1 31 31 SER HA H 38 4.348 4.348 4.569 -0.221 18514
3220 1 12 . 1 1 31 31 SER C C 38 173.566 173.566 173.733 -0.167 18514
3221 1 12 . 1 1 31 31 SER CA C 38 56.469 56.469 58.677 -2.208 18514
3222 1 12 . 1 1 31 31 SER CB C 38 63.461 63.461 63.603 -0.143 18514
3223 1 12 . 1 1 31 31 SER H H 38 7.180 7.180 7.831 -0.651 18514
3224 1 12 . 1 1 32 32 TYR N N 39 116.096 116.096 116.751 -0.655 18514
3225 1 12 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.471 -0.384 18514
3226 1 12 . 1 1 32 32 TYR C C 39 176.728 176.728 174.195 2.533 18514
3227 1 12 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.559 -0.943 18514
3228 1 12 . 1 1 32 32 TYR CB C 39 34.550 34.550 35.123 -0.573 18514
3229 1 12 . 1 1 32 32 TYR H H 39 7.410 7.410 7.286 0.124 18514
3230 1 12 . 1 1 33 33 ASN N N 40 116.549 116.549 116.473 0.076 18514
3231 1 12 . 1 1 33 33 ASN HA H 40 5.003 5.003 5.232 -0.229 18514
3232 1 12 . 1 1 33 33 ASN C C 40 176.083 176.083 174.108 1.975 18514
3233 1 12 . 1 1 33 33 ASN CA C 40 52.144 52.144 51.869 0.275 18514
3234 1 12 . 1 1 33 33 ASN CB C 40 43.554 43.554 42.765 0.789 18514
3235 1 12 . 1 1 33 33 ASN H H 40 8.257 8.257 8.033 0.224 18514
3236 1 12 . 1 1 34 34 SER N N 41 115.071 115.071 115.165 -0.094 18514
3237 1 12 . 1 1 34 34 SER HA H 41 4.477 4.477 4.928 -0.451 18514
3238 1 12 . 1 1 34 34 SER C C 41 174.850 174.850 174.865 -0.015 18514
3239 1 12 . 1 1 34 34 SER CA C 41 57.625 57.625 57.156 0.469 18514
3240 1 12 . 1 1 34 34 SER CB C 41 65.000 65.000 64.777 0.223 18514
3241 1 12 . 1 1 34 34 SER H H 41 8.720 8.720 8.174 0.546 18514
3242 1 12 . 1 1 35 35 CYS N N 42 115.950 115.950 122.334 -6.384 18514
3243 1 12 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.626 1.054 18514
3244 1 12 . 1 1 35 35 CYS C C 42 174.850 174.850 175.027 -0.177 18514
3245 1 12 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.368 1.416 18514
3246 1 12 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.613 7.335 18514
3247 1 12 . 1 1 35 35 CYS H H 42 8.696 8.696 9.004 -0.308 18514
3248 1 12 . 1 1 36 36 ALA N N 43 124.417 124.417 127.431 -3.014 18514
3249 1 12 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.521 -0.304 18514
3250 1 12 . 1 1 36 36 ALA C C 43 173.572 173.572 177.037 -3.465 18514
3251 1 12 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.497 2.832 18514
3252 1 12 . 1 1 36 36 ALA CB C 43 17.835 17.835 20.429 -2.594 18514
3253 1 12 . 1 1 36 36 ALA H H 43 8.002 8.002 7.780 0.222 18514
3254 1 12 . 1 1 37 37 GLY N N 44 113.524 113.524 111.412 2.112 18514
3255 1 12 . 1 1 37 37 GLY C C 44 170.263 170.263 174.417 -4.154 18514
3256 1 12 . 1 1 37 37 GLY CA C 44 45.717 45.717 45.119 0.598 18514
3257 1 12 . 1 1 37 37 GLY H H 44 8.932 8.932 8.709 0.223 18514
3258 1 12 . 1 1 38 38 CYS N N 45 120.184 120.184 118.138 2.046 18514
3259 1 12 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.595 -0.519 18514
3260 1 12 . 1 1 38 38 CYS C C 45 170.263 170.263 174.945 -4.682 18514
3261 1 12 . 1 1 38 38 CYS CA C 45 61.886 61.886 57.661 4.225 18514
3262 1 12 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.835 3.787 18514
3263 1 12 . 1 1 38 38 CYS H H 45 7.641 7.641 7.845 -0.204 18514
3264 1 12 . 1 1 39 39 HIS N N 46 118.156 118.156 118.254 -0.098 18514
3265 1 12 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.730 0.320 18514
3266 1 12 . 1 1 39 39 HIS C C 46 174.223 174.223 175.296 -1.073 18514
3267 1 12 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.779 -1.290 18514
3268 1 12 . 1 1 39 39 HIS CB C 46 29.688 29.688 30.143 -0.455 18514
3269 1 12 . 1 1 39 39 HIS H H 46 8.234 8.234 9.137 -0.903 18514
3270 1 12 . 1 1 40 40 CYS N N 47 118.354 118.354 117.662 0.692 18514
3271 1 12 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.939 -0.117 18514
3272 1 12 . 1 1 40 40 CYS C C 47 176.296 176.296 175.241 1.055 18514
3273 1 12 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.962 -1.365 18514
3274 1 12 . 1 1 40 40 CYS CB C 47 33.238 33.238 26.611 6.627 18514
3275 1 12 . 1 1 40 40 CYS H H 47 7.403 7.403 7.931 -0.528 18514
3276 1 12 . 1 1 41 41 VAL N N 48 118.968 118.968 125.160 -6.192 18514
3277 1 12 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.182 0.049 18514
3278 1 12 . 1 1 41 41 VAL C C 48 174.265 174.265 176.495 -2.230 18514
3279 1 12 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.878 -0.647 18514
3280 1 12 . 1 1 41 41 VAL CB C 48 34.698 34.698 32.601 2.097 18514
3281 1 12 . 1 1 41 41 VAL H H 48 8.205 8.205 8.805 -0.600 18514
3282 1 12 . 1 1 42 42 GLY N N 49 115.726 115.726 114.370 1.356 18514
3283 1 12 . 1 1 42 42 GLY C C 49 174.223 174.223 174.167 0.056 18514
3284 1 12 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.296 0.817 18514
3285 1 12 . 1 1 42 42 GLY H H 49 8.634 8.634 8.551 0.083 18514
3286 1 12 . 1 1 43 43 CYS N N 50 119.917 119.917 119.946 -0.029 18514
3287 1 12 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.330 -1.173 18514
3288 1 12 . 1 1 43 43 CYS C C 50 173.428 173.428 174.865 -1.437 18514
3289 1 12 . 1 1 43 43 CYS CA C 50 63.346 63.346 58.713 4.633 18514
3290 1 12 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.188 6.938 18514
3291 1 12 . 1 1 43 43 CYS H H 50 7.670 7.670 8.379 -0.709 18514
3292 1 12 . 1 1 44 44 LYS N N 51 128.057 128.057 130.504 -2.447 18514
3293 1 12 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.426 0.172 18514
3294 1 12 . 1 1 44 44 LYS C C 51 171.776 171.776 174.768 -2.992 18514
3295 1 12 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.960 -0.924 18514
3296 1 12 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.482 -0.757 18514
3297 1 12 . 1 1 44 44 LYS H H 51 7.934 7.934 8.353 -0.419 18514
3298 1 12 . 1 1 45 45 ASN N N 52 125.259 125.259 121.830 3.429 18514
3299 1 12 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.011 -0.244 18514
3300 1 12 . 1 1 45 45 ASN C C 52 171.776 171.776 175.051 -3.275 18514
3301 1 12 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.471 2.779 18514
3302 1 12 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.666 -0.146 18514
3303 1 12 . 1 1 45 45 ASN H H 52 9.076 9.076 8.165 0.911 18514
3304 1 12 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.327 0.136 18514
3305 1 12 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.800 -0.669 18514
3306 1 12 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.150 0.181 18514
3307 1 12 . 1 1 47 47 HIS N N 54 121.186 121.186 121.151 0.035 18514
3308 1 12 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.438 0.076 18514
3309 1 12 . 1 1 47 47 HIS C C 54 172.204 172.204 174.116 -1.912 18514
3310 1 12 . 1 1 47 47 HIS CA C 54 56.304 56.304 57.120 -0.815 18514
3311 1 12 . 1 1 47 47 HIS CB C 54 27.908 27.908 29.466 -1.558 18514
3312 1 12 . 1 1 47 47 HIS H H 54 8.236 8.236 8.004 0.233 18514
3313 1 12 . 1 1 48 48 LYS N N 55 123.556 123.556 125.058 -1.502 18514
3314 1 12 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.495 -0.034 18514
3315 1 12 . 1 1 48 48 LYS C C 55 175.066 175.066 175.640 -0.574 18514
3316 1 12 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.725 0.595 18514
3317 1 12 . 1 1 48 48 LYS CB C 55 34.106 34.106 33.227 0.879 18514
3318 1 12 . 1 1 48 48 LYS H H 55 8.470 8.470 7.770 0.700 18514
3319 1 12 . 1 1 49 49 GLU N N 56 121.100 121.100 125.110 -4.010 18514
3320 1 12 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.122 0.229 18514
3321 1 12 . 1 1 49 49 GLU C C 56 173.210 173.210 176.318 -3.108 18514
3322 1 12 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.827 -0.464 18514
3323 1 12 . 1 1 49 49 GLU CB C 56 30.623 30.623 29.457 1.166 18514
3324 1 12 . 1 1 49 49 GLU H H 56 8.523 8.523 8.642 -0.119 18514
3325 1 12 . 1 1 50 50 ASP N N 57 121.579 121.579 121.361 0.218 18514
3326 1 12 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.401 0.268 18514
3327 1 12 . 1 1 50 50 ASP C C 57 173.845 173.845 176.094 -2.249 18514
3328 1 12 . 1 1 50 50 ASP CA C 57 54.291 54.291 54.876 -0.585 18514
3329 1 12 . 1 1 50 50 ASP CB C 57 41.452 41.452 41.248 0.204 18514
3330 1 12 . 1 1 50 50 ASP H H 57 8.396 8.396 8.545 -0.149 18514
3331 1 12 . 1 1 51 51 TYR N N 58 120.844 120.844 117.930 2.914 18514
3332 1 12 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.561 -0.044 18514
3333 1 12 . 1 1 51 51 TYR C C 58 173.968 173.968 175.276 -1.308 18514
3334 1 12 . 1 1 51 51 TYR CA C 58 57.796 57.796 56.566 1.230 18514
3335 1 12 . 1 1 51 51 TYR CB C 58 38.958 38.958 38.278 0.680 18514
3336 1 12 . 1 1 51 51 TYR H H 58 8.176 8.176 7.567 0.609 18514
3337 1 13 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.847 -0.064 18514
3338 1 13 . 1 1 2 2 PRO CA C 9 61.807 61.807 61.957 -0.150 18514
3339 1 13 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.491 -0.701 18514
3340 1 13 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.538 -0.135 18514
3341 1 13 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.648 0.086 18514
3342 1 13 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.695 -0.807 18514
3343 1 13 . 1 1 4 4 LYS N N 11 124.307 124.307 122.349 1.958 18514
3344 1 13 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.714 -0.199 18514
3345 1 13 . 1 1 4 4 LYS C C 11 173.272 173.272 174.751 -1.479 18514
3346 1 13 . 1 1 4 4 LYS CA C 11 54.281 54.281 54.160 0.121 18514
3347 1 13 . 1 1 4 4 LYS CB C 11 31.920 31.920 33.602 -1.682 18514
3348 1 13 . 1 1 4 4 LYS H H 11 8.380 8.380 8.236 0.144 18514
3349 1 13 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.457 -0.021 18514
3350 1 13 . 1 1 5 5 PRO C C 12 127.380 127.380 176.174 -48.794 18514
3351 1 13 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.500 0.293 18514
3352 1 13 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.438 -0.356 18514
3353 1 13 . 1 1 6 6 LYS N N 13 118.851 118.851 119.077 -0.226 18514
3354 1 13 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.521 0.626 18514
3355 1 13 . 1 1 6 6 LYS C C 13 173.408 173.408 175.796 -2.388 18514
3356 1 13 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.959 -0.502 18514
3357 1 13 . 1 1 6 6 LYS CB C 13 34.841 34.841 35.197 -0.356 18514
3358 1 13 . 1 1 6 6 LYS H H 13 8.064 8.064 8.323 -0.259 18514
3359 1 13 . 1 1 7 7 CYS N N 14 127.385 127.385 118.406 8.979 18514
3360 1 13 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.858 0.370 18514
3361 1 13 . 1 1 7 7 CYS C C 14 173.408 173.408 173.925 -0.517 18514
3362 1 13 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.657 -0.065 18514
3363 1 13 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.710 3.151 18514
3364 1 13 . 1 1 7 7 CYS H H 14 9.943 9.943 8.219 1.724 18514
3365 1 13 . 1 1 8 8 ARG N N 15 117.940 117.940 118.922 -0.982 18514
3366 1 13 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.738 -0.392 18514
3367 1 13 . 1 1 8 8 ARG C C 15 175.808 175.808 175.860 -0.052 18514
3368 1 13 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.386 -1.015 18514
3369 1 13 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.814 -0.083 18514
3370 1 13 . 1 1 8 8 ARG H H 15 8.835 8.835 8.651 0.184 18514
3371 1 13 . 1 1 9 9 CYS N N 16 122.323 122.323 118.387 3.936 18514
3372 1 13 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.374 -0.350 18514
3373 1 13 . 1 1 9 9 CYS C C 16 174.360 174.360 176.258 -1.898 18514
3374 1 13 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.764 -0.525 18514
3375 1 13 . 1 1 9 9 CYS CB C 16 32.451 32.451 25.172 7.279 18514
3376 1 13 . 1 1 9 9 CYS H H 16 7.433 7.433 8.431 -0.998 18514
3377 1 13 . 1 1 10 10 GLY N N 17 108.065 108.065 116.339 -8.274 18514
3378 1 13 . 1 1 10 10 GLY C C 17 174.518 174.518 174.612 -0.094 18514
3379 1 13 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.575 -0.015 18514
3380 1 13 . 1 1 10 10 GLY H H 17 8.788 8.788 9.186 -0.398 18514
3381 1 13 . 1 1 11 11 ILE N N 18 118.990 118.990 121.165 -2.175 18514
3382 1 13 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.194 -0.217 18514
3383 1 13 . 1 1 11 11 ILE C C 18 173.820 173.820 176.330 -2.510 18514
3384 1 13 . 1 1 11 11 ILE CA C 18 63.590 63.590 60.955 2.635 18514
3385 1 13 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.647 0.077 18514
3386 1 13 . 1 1 11 11 ILE H H 18 7.557 7.557 8.121 -0.564 18514
3387 1 13 . 1 1 12 12 SER N N 19 116.128 116.128 115.304 0.824 18514
3388 1 13 . 1 1 12 12 SER HA H 19 4.510 4.510 4.225 0.285 18514
3389 1 13 . 1 1 12 12 SER C C 19 172.948 172.948 175.861 -2.913 18514
3390 1 13 . 1 1 12 12 SER CA C 19 58.200 58.200 60.316 -2.116 18514
3391 1 13 . 1 1 12 12 SER CB C 19 63.800 63.800 63.482 0.318 18514
3392 1 13 . 1 1 12 12 SER H H 19 8.418 8.418 7.906 0.512 18514
3393 1 13 . 1 1 13 13 GLY N N 20 110.984 110.984 110.756 0.228 18514
3394 1 13 . 1 1 13 13 GLY C C 20 172.948 172.948 174.186 -1.238 18514
3395 1 13 . 1 1 13 13 GLY CA C 20 45.398 45.398 44.740 0.658 18514
3396 1 13 . 1 1 13 13 GLY H H 20 8.243 8.243 8.406 -0.163 18514
3397 1 13 . 1 1 14 14 SER N N 21 114.951 114.951 121.944 -6.993 18514
3398 1 13 . 1 1 14 14 SER HA H 21 4.535 4.535 4.634 -0.099 18514
3399 1 13 . 1 1 14 14 SER C C 21 175.376 175.376 172.987 2.389 18514
3400 1 13 . 1 1 14 14 SER CA C 21 57.930 57.930 58.646 -0.716 18514
3401 1 13 . 1 1 14 14 SER CB C 21 64.080 64.080 62.219 1.861 18514
3402 1 13 . 1 1 14 14 SER H H 21 8.250 8.250 8.428 -0.178 18514
3403 1 13 . 1 1 15 15 SER N N 22 118.334 118.334 118.901 -0.567 18514
3404 1 13 . 1 1 15 15 SER HA H 22 4.449 4.449 4.668 -0.219 18514
3405 1 13 . 1 1 15 15 SER C C 22 174.863 174.863 173.406 1.457 18514
3406 1 13 . 1 1 15 15 SER CA C 22 57.767 57.767 57.583 0.184 18514
3407 1 13 . 1 1 15 15 SER CB C 22 63.598 63.598 66.761 -3.163 18514
3408 1 13 . 1 1 15 15 SER H H 22 8.427 8.427 7.864 0.563 18514
3409 1 13 . 1 1 16 16 ASN N N 23 120.784 120.784 123.919 -3.135 18514
3410 1 13 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.774 0.036 18514
3411 1 13 . 1 1 16 16 ASN C C 23 175.364 175.364 176.679 -1.315 18514
3412 1 13 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.525 -0.351 18514
3413 1 13 . 1 1 16 16 ASN CB C 23 38.467 38.467 39.079 -0.612 18514
3414 1 13 . 1 1 16 16 ASN H H 23 8.453 8.453 8.868 -0.415 18514
3415 1 13 . 1 1 17 17 THR N N 24 115.660 115.660 116.218 -0.558 18514
3416 1 13 . 1 1 17 17 THR HA H 24 4.346 4.346 4.064 0.282 18514
3417 1 13 . 1 1 17 17 THR C C 24 173.428 173.428 176.144 -2.716 18514
3418 1 13 . 1 1 17 17 THR CA C 24 62.126 62.126 66.611 -4.485 18514
3419 1 13 . 1 1 17 17 THR CB C 24 68.777 68.777 68.854 -0.077 18514
3420 1 13 . 1 1 17 17 THR H H 24 8.417 8.417 8.468 -0.051 18514
3421 1 13 . 1 1 18 18 LEU N N 25 121.190 121.190 115.743 5.447 18514
3422 1 13 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.533 -0.239 18514
3423 1 13 . 1 1 18 18 LEU C C 25 173.951 173.951 177.517 -3.566 18514
3424 1 13 . 1 1 18 18 LEU CA C 25 56.248 56.248 57.376 -1.128 18514
3425 1 13 . 1 1 18 18 LEU CB C 25 42.307 42.307 41.180 1.127 18514
3426 1 13 . 1 1 18 18 LEU H H 25 8.218 8.218 7.677 0.541 18514
3427 1 13 . 1 1 19 19 THR N N 26 106.988 106.988 114.870 -7.882 18514
3428 1 13 . 1 1 19 19 THR HA H 26 4.230 4.230 4.450 -0.220 18514
3429 1 13 . 1 1 19 19 THR C C 26 171.429 171.429 174.517 -3.088 18514
3430 1 13 . 1 1 19 19 THR CA C 26 60.631 60.631 62.107 -1.476 18514
3431 1 13 . 1 1 19 19 THR CB C 26 68.296 68.296 67.252 1.044 18514
3432 1 13 . 1 1 19 19 THR H H 26 7.791 7.791 8.152 -0.361 18514
3433 1 13 . 1 1 20 20 THR N N 27 121.441 121.441 118.601 2.840 18514
3434 1 13 . 1 1 20 20 THR HA H 27 3.976 3.976 4.216 -0.240 18514
3435 1 13 . 1 1 20 20 THR C C 27 175.121 175.121 175.800 -0.679 18514
3436 1 13 . 1 1 20 20 THR CA C 27 68.900 68.900 65.901 2.999 18514
3437 1 13 . 1 1 20 20 THR CB C 27 65.100 65.100 68.843 -3.743 18514
3438 1 13 . 1 1 20 20 THR H H 27 7.370 7.370 7.677 -0.307 18514
3439 1 13 . 1 1 21 21 CYS N N 28 121.174 121.174 116.554 4.620 18514
3440 1 13 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.540 -0.530 18514
3441 1 13 . 1 1 21 21 CYS C C 28 174.930 174.930 175.534 -0.604 18514
3442 1 13 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.793 1.016 18514
3443 1 13 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.286 5.471 18514
3444 1 13 . 1 1 21 21 CYS H H 28 9.321 9.321 8.503 0.818 18514
3445 1 13 . 1 1 22 22 ARG N N 29 115.643 115.643 119.079 -3.436 18514
3446 1 13 . 1 1 22 22 ARG HA H 29 3.223 3.223 3.793 -0.570 18514
3447 1 13 . 1 1 22 22 ARG C C 29 177.619 177.619 174.186 3.433 18514
3448 1 13 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.125 -3.295 18514
3449 1 13 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.324 0.944 18514
3450 1 13 . 1 1 22 22 ARG H H 29 7.880 7.880 8.338 -0.458 18514
3451 1 13 . 1 1 23 23 ASN N N 30 113.854 113.854 114.851 -0.997 18514
3452 1 13 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.589 -0.003 18514
3453 1 13 . 1 1 23 23 ASN C C 30 174.972 174.972 176.304 -1.332 18514
3454 1 13 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.773 -0.297 18514
3455 1 13 . 1 1 23 23 ASN CB C 30 41.353 41.353 39.808 1.545 18514
3456 1 13 . 1 1 23 23 ASN H H 30 6.816 6.816 7.218 -0.402 18514
3457 1 13 . 1 1 24 24 SER N N 31 113.788 113.788 114.132 -0.344 18514
3458 1 13 . 1 1 24 24 SER HA H 31 4.172 4.172 4.436 -0.264 18514
3459 1 13 . 1 1 24 24 SER C C 31 174.820 174.820 175.322 -0.502 18514
3460 1 13 . 1 1 24 24 SER CA C 31 61.080 61.080 60.650 0.430 18514
3461 1 13 . 1 1 24 24 SER CB C 31 63.425 63.425 62.935 0.490 18514
3462 1 13 . 1 1 24 24 SER H H 31 8.873 8.873 8.715 0.158 18514
3463 1 13 . 1 1 25 25 ARG N N 32 119.696 119.696 119.322 0.374 18514
3464 1 13 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.429 -0.222 18514
3465 1 13 . 1 1 25 25 ARG C C 32 175.482 175.482 176.016 -0.534 18514
3466 1 13 . 1 1 25 25 ARG CA C 32 57.018 57.018 56.179 0.839 18514
3467 1 13 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.392 -0.660 18514
3468 1 13 . 1 1 25 25 ARG H H 32 8.104 8.104 8.135 -0.031 18514
3469 1 13 . 1 1 26 26 CYS N N 33 123.061 123.061 122.630 0.431 18514
3470 1 13 . 1 1 26 26 CYS HA H 33 4.687 4.687 5.009 -0.322 18514
3471 1 13 . 1 1 26 26 CYS C C 33 173.064 173.064 173.581 -0.517 18514
3472 1 13 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.597 0.103 18514
3473 1 13 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.252 3.702 18514
3474 1 13 . 1 1 26 26 CYS H H 33 7.766 7.766 7.654 0.112 18514
3475 1 13 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.295 -0.003 18514
3476 1 13 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.387 -1.121 18514
3477 1 13 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.596 0.562 18514
3478 1 13 . 1 1 28 28 CYS N N 35 129.050 129.050 116.115 12.935 18514
3479 1 13 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.212 -0.582 18514
3480 1 13 . 1 1 28 28 CYS C C 35 171.254 171.254 176.814 -5.560 18514
3481 1 13 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.405 -0.820 18514
3482 1 13 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.889 3.358 18514
3483 1 13 . 1 1 28 28 CYS H H 35 8.368 8.368 8.127 0.241 18514
3484 1 13 . 1 1 29 29 TYR N N 36 124.364 124.364 122.010 2.354 18514
3485 1 13 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.101 -0.041 18514
3486 1 13 . 1 1 29 29 TYR C C 36 172.650 172.650 178.083 -5.433 18514
3487 1 13 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.377 0.744 18514
3488 1 13 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.323 -0.402 18514
3489 1 13 . 1 1 29 29 TYR H H 36 8.197 8.197 7.766 0.431 18514
3490 1 13 . 1 1 30 30 LYS N N 37 117.214 117.214 118.994 -1.780 18514
3491 1 13 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.834 -0.055 18514
3492 1 13 . 1 1 30 30 LYS C C 37 172.650 172.650 177.164 -4.514 18514
3493 1 13 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.593 -0.197 18514
3494 1 13 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.430 0.202 18514
3495 1 13 . 1 1 30 30 LYS H H 37 8.441 8.441 8.458 -0.017 18514
3496 1 13 . 1 1 31 31 SER N N 38 109.671 109.671 113.376 -3.705 18514
3497 1 13 . 1 1 31 31 SER HA H 38 4.348 4.348 4.571 -0.223 18514
3498 1 13 . 1 1 31 31 SER C C 38 173.566 173.566 173.518 0.048 18514
3499 1 13 . 1 1 31 31 SER CA C 38 56.469 56.469 58.141 -1.671 18514
3500 1 13 . 1 1 31 31 SER CB C 38 63.461 63.461 63.623 -0.163 18514
3501 1 13 . 1 1 31 31 SER H H 38 7.180 7.180 7.456 -0.276 18514
3502 1 13 . 1 1 32 32 TYR N N 39 116.096 116.096 114.794 1.302 18514
3503 1 13 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.235 -0.148 18514
3504 1 13 . 1 1 32 32 TYR C C 39 176.728 176.728 174.137 2.591 18514
3505 1 13 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.406 -0.790 18514
3506 1 13 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.810 -0.260 18514
3507 1 13 . 1 1 32 32 TYR H H 39 7.410 7.410 7.409 0.001 18514
3508 1 13 . 1 1 33 33 ASN N N 40 116.549 116.549 117.518 -0.969 18514
3509 1 13 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.998 0.005 18514
3510 1 13 . 1 1 33 33 ASN C C 40 176.083 176.083 174.320 1.763 18514
3511 1 13 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.301 -0.157 18514
3512 1 13 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.723 1.831 18514
3513 1 13 . 1 1 33 33 ASN H H 40 8.257 8.257 8.037 0.220 18514
3514 1 13 . 1 1 34 34 SER N N 41 115.071 115.071 114.145 0.926 18514
3515 1 13 . 1 1 34 34 SER HA H 41 4.477 4.477 4.762 -0.285 18514
3516 1 13 . 1 1 34 34 SER C C 41 174.850 174.850 175.044 -0.194 18514
3517 1 13 . 1 1 34 34 SER CA C 41 57.625 57.625 57.784 -0.159 18514
3518 1 13 . 1 1 34 34 SER CB C 41 65.000 65.000 64.643 0.357 18514
3519 1 13 . 1 1 34 34 SER H H 41 8.720 8.720 8.339 0.381 18514
3520 1 13 . 1 1 35 35 CYS N N 42 115.950 115.950 122.402 -6.452 18514
3521 1 13 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.683 0.997 18514
3522 1 13 . 1 1 35 35 CYS C C 42 174.850 174.850 174.848 0.002 18514
3523 1 13 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.913 0.870 18514
3524 1 13 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.661 7.287 18514
3525 1 13 . 1 1 35 35 CYS H H 42 8.696 8.696 9.068 -0.372 18514
3526 1 13 . 1 1 36 36 ALA N N 43 124.417 124.417 127.492 -3.075 18514
3527 1 13 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.520 -0.303 18514
3528 1 13 . 1 1 36 36 ALA C C 43 173.572 173.572 177.560 -3.988 18514
3529 1 13 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.683 2.646 18514
3530 1 13 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.669 -0.834 18514
3531 1 13 . 1 1 36 36 ALA H H 43 8.002 8.002 7.924 0.078 18514
3532 1 13 . 1 1 37 37 GLY N N 44 113.524 113.524 111.846 1.678 18514
3533 1 13 . 1 1 37 37 GLY C C 44 170.263 170.263 174.067 -3.804 18514
3534 1 13 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.941 0.777 18514
3535 1 13 . 1 1 37 37 GLY H H 44 8.932 8.932 8.746 0.186 18514
3536 1 13 . 1 1 38 38 CYS N N 45 120.184 120.184 117.914 2.270 18514
3537 1 13 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.446 -0.370 18514
3538 1 13 . 1 1 38 38 CYS C C 45 170.263 170.263 174.910 -4.647 18514
3539 1 13 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.013 3.873 18514
3540 1 13 . 1 1 38 38 CYS CB C 45 33.622 33.622 28.943 4.679 18514
3541 1 13 . 1 1 38 38 CYS H H 45 7.641 7.641 7.901 -0.260 18514
3542 1 13 . 1 1 39 39 HIS N N 46 118.156 118.156 118.573 -0.417 18514
3543 1 13 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.778 0.272 18514
3544 1 13 . 1 1 39 39 HIS C C 46 174.223 174.223 175.288 -1.065 18514
3545 1 13 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.779 -1.290 18514
3546 1 13 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.803 -0.115 18514
3547 1 13 . 1 1 39 39 HIS H H 46 8.234 8.234 9.187 -0.953 18514
3548 1 13 . 1 1 40 40 CYS N N 47 118.354 118.354 117.055 1.299 18514
3549 1 13 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.643 0.179 18514
3550 1 13 . 1 1 40 40 CYS C C 47 176.296 176.296 174.936 1.360 18514
3551 1 13 . 1 1 40 40 CYS CA C 47 55.596 55.596 57.210 -1.614 18514
3552 1 13 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.583 5.655 18514
3553 1 13 . 1 1 40 40 CYS H H 47 7.403 7.403 7.918 -0.515 18514
3554 1 13 . 1 1 41 41 VAL N N 48 118.968 118.968 124.394 -5.426 18514
3555 1 13 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.248 -0.017 18514
3556 1 13 . 1 1 41 41 VAL C C 48 174.265 174.265 176.143 -1.878 18514
3557 1 13 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.464 -0.233 18514
3558 1 13 . 1 1 41 41 VAL CB C 48 34.698 34.698 32.143 2.555 18514
3559 1 13 . 1 1 41 41 VAL H H 48 8.205 8.205 8.894 -0.689 18514
3560 1 13 . 1 1 42 42 GLY N N 49 115.726 115.726 115.412 0.314 18514
3561 1 13 . 1 1 42 42 GLY C C 49 174.223 174.223 174.266 -0.043 18514
3562 1 13 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.050 1.063 18514
3563 1 13 . 1 1 42 42 GLY H H 49 8.634 8.634 8.629 0.005 18514
3564 1 13 . 1 1 43 43 CYS N N 50 119.917 119.917 119.996 -0.079 18514
3565 1 13 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.446 -1.289 18514
3566 1 13 . 1 1 43 43 CYS C C 50 173.428 173.428 174.659 -1.231 18514
3567 1 13 . 1 1 43 43 CYS CA C 50 63.346 63.346 58.281 5.065 18514
3568 1 13 . 1 1 43 43 CYS CB C 50 33.126 33.126 27.124 6.002 18514
3569 1 13 . 1 1 43 43 CYS H H 50 7.670 7.670 8.344 -0.674 18514
3570 1 13 . 1 1 44 44 LYS N N 51 128.057 128.057 129.918 -1.861 18514
3571 1 13 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.420 0.178 18514
3572 1 13 . 1 1 44 44 LYS C C 51 171.776 171.776 174.572 -2.796 18514
3573 1 13 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.867 -0.831 18514
3574 1 13 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.679 -0.954 18514
3575 1 13 . 1 1 44 44 LYS H H 51 7.934 7.934 8.402 -0.468 18514
3576 1 13 . 1 1 45 45 ASN N N 52 125.259 125.259 122.441 2.818 18514
3577 1 13 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.052 -0.285 18514
3578 1 13 . 1 1 45 45 ASN C C 52 171.776 171.776 173.984 -2.208 18514
3579 1 13 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.930 2.320 18514
3580 1 13 . 1 1 45 45 ASN CB C 52 39.520 39.520 40.003 -0.483 18514
3581 1 13 . 1 1 45 45 ASN H H 52 9.076 9.076 8.302 0.774 18514
3582 1 13 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.371 0.092 18514
3583 1 13 . 1 1 46 46 PRO CA C 53 63.131 63.131 64.055 -0.924 18514
3584 1 13 . 1 1 46 46 PRO CB C 53 32.331 32.331 31.997 0.334 18514
3585 1 13 . 1 1 47 47 HIS N N 54 121.186 121.186 119.084 2.102 18514
3586 1 13 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.649 -0.135 18514
3587 1 13 . 1 1 47 47 HIS C C 54 172.204 172.204 174.008 -1.804 18514
3588 1 13 . 1 1 47 47 HIS CA C 54 56.304 56.304 56.570 -0.266 18514
3589 1 13 . 1 1 47 47 HIS CB C 54 27.908 27.908 28.027 -0.119 18514
3590 1 13 . 1 1 47 47 HIS H H 54 8.236 8.236 8.934 -0.698 18514
3591 1 13 . 1 1 48 48 LYS N N 55 123.556 123.556 122.468 1.088 18514
3592 1 13 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.510 -0.049 18514
3593 1 13 . 1 1 48 48 LYS C C 55 175.066 175.066 175.590 -0.524 18514
3594 1 13 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.794 0.526 18514
3595 1 13 . 1 1 48 48 LYS CB C 55 34.106 34.106 36.135 -2.029 18514
3596 1 13 . 1 1 48 48 LYS H H 55 8.470 8.470 7.919 0.551 18514
3597 1 13 . 1 1 49 49 GLU N N 56 121.100 121.100 121.991 -0.891 18514
3598 1 13 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.273 0.078 18514
3599 1 13 . 1 1 49 49 GLU C C 56 173.210 173.210 176.027 -2.817 18514
3600 1 13 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.429 -0.066 18514
3601 1 13 . 1 1 49 49 GLU CB C 56 30.623 30.623 29.183 1.440 18514
3602 1 13 . 1 1 49 49 GLU H H 56 8.523 8.523 8.639 -0.116 18514
3603 1 13 . 1 1 50 50 ASP N N 57 121.579 121.579 127.324 -5.745 18514
3604 1 13 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.649 0.020 18514
3605 1 13 . 1 1 50 50 ASP C C 57 173.845 173.845 175.058 -1.213 18514
3606 1 13 . 1 1 50 50 ASP CA C 57 54.291 54.291 54.526 -0.235 18514
3607 1 13 . 1 1 50 50 ASP CB C 57 41.452 41.452 39.483 1.969 18514
3608 1 13 . 1 1 50 50 ASP H H 57 8.396 8.396 8.680 -0.284 18514
3609 1 13 . 1 1 51 51 TYR N N 58 120.844 120.844 124.161 -3.317 18514
3610 1 13 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.784 -0.267 18514
3611 1 13 . 1 1 51 51 TYR C C 58 173.968 173.968 173.876 0.092 18514
3612 1 13 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.547 0.249 18514
3613 1 13 . 1 1 51 51 TYR CB C 58 38.958 38.958 39.811 -0.853 18514
3614 1 13 . 1 1 51 51 TYR H H 58 8.176 8.176 8.021 0.155 18514
3615 1 14 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.851 -0.068 18514
3616 1 14 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.016 -0.208 18514
3617 1 14 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.517 -0.726 18514
3618 1 14 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.479 -0.076 18514
3619 1 14 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.702 0.033 18514
3620 1 14 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.398 -0.510 18514
3621 1 14 . 1 1 4 4 LYS N N 11 124.307 124.307 125.012 -0.705 18514
3622 1 14 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.357 0.158 18514
3623 1 14 . 1 1 4 4 LYS C C 11 173.272 173.272 175.409 -2.137 18514
3624 1 14 . 1 1 4 4 LYS CA C 11 54.281 54.281 55.199 -0.918 18514
3625 1 14 . 1 1 4 4 LYS CB C 11 31.920 31.920 31.850 0.070 18514
3626 1 14 . 1 1 4 4 LYS H H 11 8.380 8.380 8.334 0.046 18514
3627 1 14 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.332 0.104 18514
3628 1 14 . 1 1 5 5 PRO C C 12 127.380 127.380 175.634 -48.254 18514
3629 1 14 . 1 1 5 5 PRO CA C 12 62.793 62.793 63.050 -0.257 18514
3630 1 14 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.124 -0.042 18514
3631 1 14 . 1 1 6 6 LYS N N 13 118.851 118.851 118.829 0.022 18514
3632 1 14 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.579 0.568 18514
3633 1 14 . 1 1 6 6 LYS C C 13 173.408 173.408 175.647 -2.239 18514
3634 1 14 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.921 -0.464 18514
3635 1 14 . 1 1 6 6 LYS CB C 13 34.841 34.841 33.554 1.287 18514
3636 1 14 . 1 1 6 6 LYS H H 13 8.064 8.064 8.276 -0.212 18514
3637 1 14 . 1 1 7 7 CYS N N 14 127.385 127.385 121.313 6.072 18514
3638 1 14 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.989 0.239 18514
3639 1 14 . 1 1 7 7 CYS C C 14 173.408 173.408 174.781 -1.373 18514
3640 1 14 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.476 0.116 18514
3641 1 14 . 1 1 7 7 CYS CB C 14 34.861 34.861 30.759 4.102 18514
3642 1 14 . 1 1 7 7 CYS H H 14 9.943 9.943 8.603 1.340 18514
3643 1 14 . 1 1 8 8 ARG N N 15 117.940 117.940 118.940 -1.000 18514
3644 1 14 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.761 -0.415 18514
3645 1 14 . 1 1 8 8 ARG C C 15 175.808 175.808 176.228 -0.420 18514
3646 1 14 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.246 -0.875 18514
3647 1 14 . 1 1 8 8 ARG CB C 15 30.731 30.731 29.181 1.550 18514
3648 1 14 . 1 1 8 8 ARG H H 15 8.835 8.835 8.728 0.107 18514
3649 1 14 . 1 1 9 9 CYS N N 16 122.323 122.323 118.128 4.195 18514
3650 1 14 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.944 -0.920 18514
3651 1 14 . 1 1 9 9 CYS C C 16 174.360 174.360 176.379 -2.019 18514
3652 1 14 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.666 -0.427 18514
3653 1 14 . 1 1 9 9 CYS CB C 16 32.451 32.451 25.917 6.534 18514
3654 1 14 . 1 1 9 9 CYS H H 16 7.433 7.433 8.303 -0.870 18514
3655 1 14 . 1 1 10 10 GLY N N 17 108.065 108.065 115.936 -7.871 18514
3656 1 14 . 1 1 10 10 GLY C C 17 174.518 174.518 174.740 -0.222 18514
3657 1 14 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.568 -0.008 18514
3658 1 14 . 1 1 10 10 GLY H H 17 8.788 8.788 9.328 -0.540 18514
3659 1 14 . 1 1 11 11 ILE N N 18 118.990 118.990 121.055 -2.065 18514
3660 1 14 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.059 -0.082 18514
3661 1 14 . 1 1 11 11 ILE C C 18 173.820 173.820 176.044 -2.224 18514
3662 1 14 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.314 0.276 18514
3663 1 14 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.879 -0.155 18514
3664 1 14 . 1 1 11 11 ILE H H 18 7.557 7.557 7.969 -0.412 18514
3665 1 14 . 1 1 12 12 SER N N 19 116.128 116.128 112.999 3.129 18514
3666 1 14 . 1 1 12 12 SER HA H 19 4.510 4.510 4.711 -0.201 18514
3667 1 14 . 1 1 12 12 SER C C 19 172.948 172.948 172.887 0.061 18514
3668 1 14 . 1 1 12 12 SER CA C 19 58.200 58.200 57.804 0.396 18514
3669 1 14 . 1 1 12 12 SER CB C 19 63.800 63.800 66.405 -2.605 18514
3670 1 14 . 1 1 12 12 SER H H 19 8.418 8.418 7.675 0.743 18514
3671 1 14 . 1 1 13 13 GLY N N 20 110.984 110.984 110.374 0.610 18514
3672 1 14 . 1 1 13 13 GLY C C 20 172.948 172.948 172.628 0.320 18514
3673 1 14 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.062 0.336 18514
3674 1 14 . 1 1 13 13 GLY H H 20 8.243 8.243 8.201 0.042 18514
3675 1 14 . 1 1 14 14 SER N N 21 114.951 114.951 114.705 0.246 18514
3676 1 14 . 1 1 14 14 SER HA H 21 4.535 4.535 4.677 -0.142 18514
3677 1 14 . 1 1 14 14 SER C C 21 175.376 175.376 175.132 0.244 18514
3678 1 14 . 1 1 14 14 SER CA C 21 57.930 57.930 57.415 0.515 18514
3679 1 14 . 1 1 14 14 SER CB C 21 64.080 64.080 64.237 -0.157 18514
3680 1 14 . 1 1 14 14 SER H H 21 8.250 8.250 8.417 -0.167 18514
3681 1 14 . 1 1 15 15 SER N N 22 118.334 118.334 114.583 3.751 18514
3682 1 14 . 1 1 15 15 SER HA H 22 4.449 4.449 4.071 0.378 18514
3683 1 14 . 1 1 15 15 SER C C 22 174.863 174.863 174.306 0.557 18514
3684 1 14 . 1 1 15 15 SER CA C 22 57.767 57.767 59.428 -1.661 18514
3685 1 14 . 1 1 15 15 SER CB C 22 63.598 63.598 61.450 2.147 18514
3686 1 14 . 1 1 15 15 SER H H 22 8.427 8.427 8.802 -0.375 18514
3687 1 14 . 1 1 16 16 ASN N N 23 120.784 120.784 118.322 2.462 18514
3688 1 14 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.429 0.381 18514
3689 1 14 . 1 1 16 16 ASN C C 23 175.364 175.364 177.179 -1.815 18514
3690 1 14 . 1 1 16 16 ASN CA C 23 53.174 53.174 55.310 -2.136 18514
3691 1 14 . 1 1 16 16 ASN CB C 23 38.467 38.467 38.590 -0.123 18514
3692 1 14 . 1 1 16 16 ASN H H 23 8.453 8.453 8.454 -0.001 18514
3693 1 14 . 1 1 17 17 THR N N 24 115.660 115.660 114.588 1.072 18514
3694 1 14 . 1 1 17 17 THR HA H 24 4.346 4.346 4.132 0.214 18514
3695 1 14 . 1 1 17 17 THR C C 24 173.428 173.428 175.674 -2.246 18514
3696 1 14 . 1 1 17 17 THR CA C 24 62.126 62.126 64.925 -2.800 18514
3697 1 14 . 1 1 17 17 THR CB C 24 68.777 68.777 68.857 -0.080 18514
3698 1 14 . 1 1 17 17 THR H H 24 8.417 8.417 8.221 0.196 18514
3699 1 14 . 1 1 18 18 LEU N N 25 121.190 121.190 119.616 1.574 18514
3700 1 14 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.505 -0.211 18514
3701 1 14 . 1 1 18 18 LEU C C 25 173.951 173.951 178.141 -4.190 18514
3702 1 14 . 1 1 18 18 LEU CA C 25 56.248 56.248 55.901 0.347 18514
3703 1 14 . 1 1 18 18 LEU CB C 25 42.307 42.307 43.121 -0.814 18514
3704 1 14 . 1 1 18 18 LEU H H 25 8.218 8.218 7.797 0.421 18514
3705 1 14 . 1 1 19 19 THR N N 26 106.988 106.988 110.326 -3.338 18514
3706 1 14 . 1 1 19 19 THR HA H 26 4.230 4.230 4.507 -0.277 18514
3707 1 14 . 1 1 19 19 THR C C 26 171.429 171.429 174.493 -3.064 18514
3708 1 14 . 1 1 19 19 THR CA C 26 60.631 60.631 60.003 0.628 18514
3709 1 14 . 1 1 19 19 THR CB C 26 68.296 68.296 67.832 0.464 18514
3710 1 14 . 1 1 19 19 THR H H 26 7.791 7.791 7.842 -0.051 18514
3711 1 14 . 1 1 20 20 THR N N 27 121.441 121.441 119.518 1.923 18514
3712 1 14 . 1 1 20 20 THR HA H 27 3.976 3.976 4.117 -0.141 18514
3713 1 14 . 1 1 20 20 THR C C 27 175.121 175.121 175.718 -0.597 18514
3714 1 14 . 1 1 20 20 THR CA C 27 68.900 68.900 66.142 2.758 18514
3715 1 14 . 1 1 20 20 THR CB C 27 65.100 65.100 68.629 -3.529 18514
3716 1 14 . 1 1 20 20 THR H H 27 7.370 7.370 7.705 -0.335 18514
3717 1 14 . 1 1 21 21 CYS N N 28 121.174 121.174 116.683 4.491 18514
3718 1 14 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.579 -0.569 18514
3719 1 14 . 1 1 21 21 CYS C C 28 174.930 174.930 175.638 -0.708 18514
3720 1 14 . 1 1 21 21 CYS CA C 28 59.809 59.809 59.031 0.778 18514
3721 1 14 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.216 5.541 18514
3722 1 14 . 1 1 21 21 CYS H H 28 9.321 9.321 8.526 0.795 18514
3723 1 14 . 1 1 22 22 ARG N N 29 115.643 115.643 118.639 -2.996 18514
3724 1 14 . 1 1 22 22 ARG HA H 29 3.223 3.223 3.812 -0.589 18514
3725 1 14 . 1 1 22 22 ARG C C 29 177.619 177.619 174.826 2.793 18514
3726 1 14 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.350 -3.520 18514
3727 1 14 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.458 0.810 18514
3728 1 14 . 1 1 22 22 ARG H H 29 7.880 7.880 8.118 -0.238 18514
3729 1 14 . 1 1 23 23 ASN N N 30 113.854 113.854 115.952 -2.098 18514
3730 1 14 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.591 -0.005 18514
3731 1 14 . 1 1 23 23 ASN C C 30 174.972 174.972 175.883 -0.911 18514
3732 1 14 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.464 0.012 18514
3733 1 14 . 1 1 23 23 ASN CB C 30 41.353 41.353 39.776 1.577 18514
3734 1 14 . 1 1 23 23 ASN H H 30 6.816 6.816 7.411 -0.595 18514
3735 1 14 . 1 1 24 24 SER N N 31 113.788 113.788 115.173 -1.385 18514
3736 1 14 . 1 1 24 24 SER HA H 31 4.172 4.172 4.495 -0.323 18514
3737 1 14 . 1 1 24 24 SER C C 31 174.820 174.820 174.918 -0.098 18514
3738 1 14 . 1 1 24 24 SER CA C 31 61.080 61.080 61.065 0.015 18514
3739 1 14 . 1 1 24 24 SER CB C 31 63.425 63.425 62.645 0.780 18514
3740 1 14 . 1 1 24 24 SER H H 31 8.873 8.873 8.910 -0.037 18514
3741 1 14 . 1 1 25 25 ARG N N 32 119.696 119.696 118.077 1.619 18514
3742 1 14 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.566 -0.359 18514
3743 1 14 . 1 1 25 25 ARG C C 32 175.482 175.482 175.844 -0.362 18514
3744 1 14 . 1 1 25 25 ARG CA C 32 57.018 57.018 54.724 2.294 18514
3745 1 14 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.404 -0.672 18514
3746 1 14 . 1 1 25 25 ARG H H 32 8.104 8.104 8.108 -0.004 18514
3747 1 14 . 1 1 26 26 CYS N N 33 123.061 123.061 123.550 -0.489 18514
3748 1 14 . 1 1 26 26 CYS HA H 33 4.687 4.687 5.019 -0.332 18514
3749 1 14 . 1 1 26 26 CYS C C 33 173.064 173.064 174.151 -1.087 18514
3750 1 14 . 1 1 26 26 CYS CA C 33 55.700 55.700 56.390 -0.690 18514
3751 1 14 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.262 3.692 18514
3752 1 14 . 1 1 26 26 CYS H H 33 7.766 7.766 7.976 -0.210 18514
3753 1 14 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.237 0.055 18514
3754 1 14 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.282 -1.016 18514
3755 1 14 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.709 0.449 18514
3756 1 14 . 1 1 28 28 CYS N N 35 129.050 129.050 115.996 13.054 18514
3757 1 14 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.222 -0.592 18514
3758 1 14 . 1 1 28 28 CYS C C 35 171.254 171.254 176.652 -5.398 18514
3759 1 14 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.171 -0.586 18514
3760 1 14 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.829 3.417 18514
3761 1 14 . 1 1 28 28 CYS H H 35 8.368 8.368 8.142 0.226 18514
3762 1 14 . 1 1 29 29 TYR N N 36 124.364 124.364 121.854 2.510 18514
3763 1 14 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.114 -0.054 18514
3764 1 14 . 1 1 29 29 TYR C C 36 172.650 172.650 178.027 -5.377 18514
3765 1 14 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.273 0.848 18514
3766 1 14 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.164 -0.243 18514
3767 1 14 . 1 1 29 29 TYR H H 36 8.197 8.197 7.952 0.245 18514
3768 1 14 . 1 1 30 30 LYS N N 37 117.214 117.214 118.930 -1.716 18514
3769 1 14 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.843 -0.064 18514
3770 1 14 . 1 1 30 30 LYS C C 37 172.650 172.650 178.171 -5.521 18514
3771 1 14 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.106 0.290 18514
3772 1 14 . 1 1 30 30 LYS CB C 37 32.632 32.632 31.873 0.759 18514
3773 1 14 . 1 1 30 30 LYS H H 37 8.441 8.441 8.098 0.343 18514
3774 1 14 . 1 1 31 31 SER N N 38 109.671 109.671 112.957 -3.286 18514
3775 1 14 . 1 1 31 31 SER HA H 38 4.348 4.348 4.464 -0.116 18514
3776 1 14 . 1 1 31 31 SER C C 38 173.566 173.566 174.131 -0.565 18514
3777 1 14 . 1 1 31 31 SER CA C 38 56.469 56.469 58.105 -1.636 18514
3778 1 14 . 1 1 31 31 SER CB C 38 63.461 63.461 63.503 -0.042 18514
3779 1 14 . 1 1 31 31 SER H H 38 7.180 7.180 7.560 -0.380 18514
3780 1 14 . 1 1 32 32 TYR N N 39 116.096 116.096 114.533 1.563 18514
3781 1 14 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.109 -0.022 18514
3782 1 14 . 1 1 32 32 TYR C C 39 176.728 176.728 173.872 2.856 18514
3783 1 14 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.397 -0.781 18514
3784 1 14 . 1 1 32 32 TYR CB C 39 34.550 34.550 35.155 -0.605 18514
3785 1 14 . 1 1 32 32 TYR H H 39 7.410 7.410 7.413 -0.003 18514
3786 1 14 . 1 1 33 33 ASN N N 40 116.549 116.549 117.014 -0.465 18514
3787 1 14 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.952 0.051 18514
3788 1 14 . 1 1 33 33 ASN C C 40 176.083 176.083 174.267 1.816 18514
3789 1 14 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.641 -0.497 18514
3790 1 14 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.563 1.991 18514
3791 1 14 . 1 1 33 33 ASN H H 40 8.257 8.257 7.853 0.404 18514
3792 1 14 . 1 1 34 34 SER N N 41 115.071 115.071 114.950 0.121 18514
3793 1 14 . 1 1 34 34 SER HA H 41 4.477 4.477 4.765 -0.288 18514
3794 1 14 . 1 1 34 34 SER C C 41 174.850 174.850 175.226 -0.376 18514
3795 1 14 . 1 1 34 34 SER CA C 41 57.625 57.625 57.647 -0.022 18514
3796 1 14 . 1 1 34 34 SER CB C 41 65.000 65.000 64.711 0.289 18514
3797 1 14 . 1 1 34 34 SER H H 41 8.720 8.720 8.655 0.065 18514
3798 1 14 . 1 1 35 35 CYS N N 42 115.950 115.950 120.401 -4.451 18514
3799 1 14 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.821 0.859 18514
3800 1 14 . 1 1 35 35 CYS C C 42 174.850 174.850 174.829 0.021 18514
3801 1 14 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.735 1.049 18514
3802 1 14 . 1 1 35 35 CYS CB C 42 31.948 31.948 25.472 6.476 18514
3803 1 14 . 1 1 35 35 CYS H H 42 8.696 8.696 9.278 -0.582 18514
3804 1 14 . 1 1 36 36 ALA N N 43 124.417 124.417 122.929 1.488 18514
3805 1 14 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.142 0.075 18514
3806 1 14 . 1 1 36 36 ALA C C 43 173.572 173.572 177.532 -3.960 18514
3807 1 14 . 1 1 36 36 ALA CA C 43 54.329 54.329 52.983 1.346 18514
3808 1 14 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.384 -0.549 18514
3809 1 14 . 1 1 36 36 ALA H H 43 8.002 8.002 8.192 -0.190 18514
3810 1 14 . 1 1 37 37 GLY N N 44 113.524 113.524 111.948 1.576 18514
3811 1 14 . 1 1 37 37 GLY C C 44 170.263 170.263 174.499 -4.236 18514
3812 1 14 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.495 1.222 18514
3813 1 14 . 1 1 37 37 GLY H H 44 8.932 8.932 8.532 0.400 18514
3814 1 14 . 1 1 38 38 CYS N N 45 120.184 120.184 118.557 1.627 18514
3815 1 14 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.558 -0.482 18514
3816 1 14 . 1 1 38 38 CYS C C 45 170.263 170.263 174.310 -4.047 18514
3817 1 14 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.294 3.592 18514
3818 1 14 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.173 4.449 18514
3819 1 14 . 1 1 38 38 CYS H H 45 7.641 7.641 7.949 -0.308 18514
3820 1 14 . 1 1 39 39 HIS N N 46 118.156 118.156 121.129 -2.973 18514
3821 1 14 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.769 0.281 18514
3822 1 14 . 1 1 39 39 HIS C C 46 174.223 174.223 175.009 -0.786 18514
3823 1 14 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.766 -1.277 18514
3824 1 14 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.872 -0.184 18514
3825 1 14 . 1 1 39 39 HIS H H 46 8.234 8.234 8.635 -0.401 18514
3826 1 14 . 1 1 40 40 CYS N N 47 118.354 118.354 117.579 0.775 18514
3827 1 14 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.862 -0.040 18514
3828 1 14 . 1 1 40 40 CYS C C 47 176.296 176.296 174.776 1.520 18514
3829 1 14 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.689 -1.093 18514
3830 1 14 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.565 5.673 18514
3831 1 14 . 1 1 40 40 CYS H H 47 7.403 7.403 7.907 -0.504 18514
3832 1 14 . 1 1 41 41 VAL N N 48 118.968 118.968 123.962 -4.994 18514
3833 1 14 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.244 -0.013 18514
3834 1 14 . 1 1 41 41 VAL C C 48 174.265 174.265 176.095 -1.830 18514
3835 1 14 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.431 -0.200 18514
3836 1 14 . 1 1 41 41 VAL CB C 48 34.698 34.698 33.083 1.615 18514
3837 1 14 . 1 1 41 41 VAL H H 48 8.205 8.205 8.903 -0.698 18514
3838 1 14 . 1 1 42 42 GLY N N 49 115.726 115.726 114.610 1.116 18514
3839 1 14 . 1 1 42 42 GLY C C 49 174.223 174.223 174.273 -0.050 18514
3840 1 14 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.138 0.975 18514
3841 1 14 . 1 1 42 42 GLY H H 49 8.634 8.634 8.543 0.091 18514
3842 1 14 . 1 1 43 43 CYS N N 50 119.917 119.917 120.104 -0.187 18514
3843 1 14 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.309 -1.152 18514
3844 1 14 . 1 1 43 43 CYS C C 50 173.428 173.428 175.053 -1.625 18514
3845 1 14 . 1 1 43 43 CYS CA C 50 63.346 63.346 58.565 4.782 18514
3846 1 14 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.065 7.061 18514
3847 1 14 . 1 1 43 43 CYS H H 50 7.670 7.670 8.297 -0.627 18514
3848 1 14 . 1 1 44 44 LYS N N 51 128.057 128.057 130.713 -2.656 18514
3849 1 14 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.358 0.240 18514
3850 1 14 . 1 1 44 44 LYS C C 51 171.776 171.776 175.049 -3.273 18514
3851 1 14 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.510 -0.473 18514
3852 1 14 . 1 1 44 44 LYS CB C 51 31.725 31.725 31.627 0.098 18514
3853 1 14 . 1 1 44 44 LYS H H 51 7.934 7.934 8.243 -0.309 18514
3854 1 14 . 1 1 45 45 ASN N N 52 125.259 125.259 122.835 2.424 18514
3855 1 14 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.097 -0.330 18514
3856 1 14 . 1 1 45 45 ASN C C 52 171.776 171.776 174.094 -2.318 18514
3857 1 14 . 1 1 45 45 ASN CA C 52 52.250 52.250 50.135 2.115 18514
3858 1 14 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.943 -0.423 18514
3859 1 14 . 1 1 45 45 ASN H H 52 9.076 9.076 8.044 1.032 18514
3860 1 14 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.385 0.078 18514
3861 1 14 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.878 -0.747 18514
3862 1 14 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.085 0.246 18514
3863 1 14 . 1 1 47 47 HIS N N 54 121.186 121.186 119.887 1.299 18514
3864 1 14 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.760 -0.246 18514
3865 1 14 . 1 1 47 47 HIS C C 54 172.204 172.204 174.379 -2.175 18514
3866 1 14 . 1 1 47 47 HIS CA C 54 56.304 56.304 56.454 -0.150 18514
3867 1 14 . 1 1 47 47 HIS CB C 54 27.908 27.908 28.502 -0.594 18514
3868 1 14 . 1 1 47 47 HIS H H 54 8.236 8.236 8.655 -0.419 18514
3869 1 14 . 1 1 48 48 LYS N N 55 123.556 123.556 125.475 -1.919 18514
3870 1 14 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.520 -0.059 18514
3871 1 14 . 1 1 48 48 LYS C C 55 175.066 175.066 175.164 -0.098 18514
3872 1 14 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.860 0.460 18514
3873 1 14 . 1 1 48 48 LYS CB C 55 34.106 34.106 33.273 0.833 18514
3874 1 14 . 1 1 48 48 LYS H H 55 8.470 8.470 7.843 0.627 18514
3875 1 14 . 1 1 49 49 GLU N N 56 121.100 121.100 121.832 -0.732 18514
3876 1 14 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.350 0.001 18514
3877 1 14 . 1 1 49 49 GLU C C 56 173.210 173.210 176.396 -3.186 18514
3878 1 14 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.739 -0.376 18514
3879 1 14 . 1 1 49 49 GLU CB C 56 30.623 30.623 30.659 -0.036 18514
3880 1 14 . 1 1 49 49 GLU H H 56 8.523 8.523 8.490 0.033 18514
3881 1 14 . 1 1 50 50 ASP N N 57 121.579 121.579 126.075 -4.496 18514
3882 1 14 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.657 0.012 18514
3883 1 14 . 1 1 50 50 ASP C C 57 173.845 173.845 175.241 -1.396 18514
3884 1 14 . 1 1 50 50 ASP CA C 57 54.291 54.291 53.397 0.894 18514
3885 1 14 . 1 1 50 50 ASP CB C 57 41.452 41.452 40.232 1.220 18514
3886 1 14 . 1 1 50 50 ASP H H 57 8.396 8.396 8.694 -0.298 18514
3887 1 14 . 1 1 51 51 TYR N N 58 120.844 120.844 120.609 0.235 18514
3888 1 14 . 1 1 51 51 TYR HA H 58 4.517 4.517 5.006 -0.489 18514
3889 1 14 . 1 1 51 51 TYR C C 58 173.968 173.968 174.863 -0.895 18514
3890 1 14 . 1 1 51 51 TYR CA C 58 57.796 57.796 56.461 1.335 18514
3891 1 14 . 1 1 51 51 TYR CB C 58 38.958 38.958 39.479 -0.521 18514
3892 1 14 . 1 1 51 51 TYR H H 58 8.176 8.176 7.895 0.281 18514
3893 1 15 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.782 0.001 18514
3894 1 15 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.139 -0.332 18514
3895 1 15 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.598 -0.807 18514
3896 1 15 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.609 -0.205 18514
3897 1 15 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.337 0.397 18514
3898 1 15 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.914 -1.026 18514
3899 1 15 . 1 1 4 4 LYS N N 11 124.307 124.307 121.024 3.283 18514
3900 1 15 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.506 0.009 18514
3901 1 15 . 1 1 4 4 LYS C C 11 173.272 173.272 175.097 -1.825 18514
3902 1 15 . 1 1 4 4 LYS CA C 11 54.281 54.281 54.089 0.192 18514
3903 1 15 . 1 1 4 4 LYS CB C 11 31.920 31.920 31.670 0.250 18514
3904 1 15 . 1 1 4 4 LYS H H 11 8.380 8.380 8.267 0.113 18514
3905 1 15 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.292 0.144 18514
3906 1 15 . 1 1 5 5 PRO C C 12 127.380 127.380 175.701 -48.321 18514
3907 1 15 . 1 1 5 5 PRO CA C 12 62.793 62.793 63.207 -0.414 18514
3908 1 15 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.120 -0.038 18514
3909 1 15 . 1 1 6 6 LYS N N 13 118.851 118.851 119.533 -0.682 18514
3910 1 15 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.654 0.493 18514
3911 1 15 . 1 1 6 6 LYS C C 13 173.408 173.408 175.288 -1.880 18514
3912 1 15 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.447 0.010 18514
3913 1 15 . 1 1 6 6 LYS CB C 13 34.841 34.841 35.313 -0.472 18514
3914 1 15 . 1 1 6 6 LYS H H 13 8.064 8.064 8.152 -0.088 18514
3915 1 15 . 1 1 7 7 CYS N N 14 127.385 127.385 116.787 10.598 18514
3916 1 15 . 1 1 7 7 CYS HA H 14 5.228 5.228 5.117 0.111 18514
3917 1 15 . 1 1 7 7 CYS C C 14 173.408 173.408 173.419 -0.011 18514
3918 1 15 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.627 -0.035 18514
3919 1 15 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.335 3.526 18514
3920 1 15 . 1 1 7 7 CYS H H 14 9.943 9.943 8.572 1.371 18514
3921 1 15 . 1 1 8 8 ARG N N 15 117.940 117.940 117.798 0.142 18514
3922 1 15 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.618 -0.272 18514
3923 1 15 . 1 1 8 8 ARG C C 15 175.808 175.808 175.720 0.088 18514
3924 1 15 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.250 -0.879 18514
3925 1 15 . 1 1 8 8 ARG CB C 15 30.731 30.731 29.390 1.341 18514
3926 1 15 . 1 1 8 8 ARG H H 15 8.835 8.835 8.488 0.347 18514
3927 1 15 . 1 1 9 9 CYS N N 16 122.323 122.323 118.623 3.700 18514
3928 1 15 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.478 -0.454 18514
3929 1 15 . 1 1 9 9 CYS C C 16 174.360 174.360 176.519 -2.159 18514
3930 1 15 . 1 1 9 9 CYS CA C 16 60.239 60.239 61.013 -0.774 18514
3931 1 15 . 1 1 9 9 CYS CB C 16 32.451 32.451 26.451 6.000 18514
3932 1 15 . 1 1 9 9 CYS H H 16 7.433 7.433 8.515 -1.082 18514
3933 1 15 . 1 1 10 10 GLY N N 17 108.065 108.065 113.427 -5.362 18514
3934 1 15 . 1 1 10 10 GLY C C 17 174.518 174.518 175.360 -0.842 18514
3935 1 15 . 1 1 10 10 GLY CA C 17 45.560 45.560 46.165 -0.605 18514
3936 1 15 . 1 1 10 10 GLY H H 17 8.788 8.788 9.358 -0.570 18514
3937 1 15 . 1 1 11 11 ILE N N 18 118.990 118.990 121.397 -2.407 18514
3938 1 15 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.052 -0.075 18514
3939 1 15 . 1 1 11 11 ILE C C 18 173.820 173.820 176.303 -2.483 18514
3940 1 15 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.534 0.056 18514
3941 1 15 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.429 0.295 18514
3942 1 15 . 1 1 11 11 ILE H H 18 7.557 7.557 7.385 0.172 18514
3943 1 15 . 1 1 12 12 SER N N 19 116.128 116.128 114.510 1.618 18514
3944 1 15 . 1 1 12 12 SER HA H 19 4.510 4.510 4.642 -0.132 18514
3945 1 15 . 1 1 12 12 SER C C 19 172.948 172.948 175.171 -2.223 18514
3946 1 15 . 1 1 12 12 SER CA C 19 58.200 58.200 57.631 0.569 18514
3947 1 15 . 1 1 12 12 SER CB C 19 63.800 63.800 62.817 0.983 18514
3948 1 15 . 1 1 12 12 SER H H 19 8.418 8.418 8.322 0.096 18514
3949 1 15 . 1 1 13 13 GLY N N 20 110.984 110.984 114.265 -3.281 18514
3950 1 15 . 1 1 13 13 GLY C C 20 172.948 172.948 174.169 -1.221 18514
3951 1 15 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.601 -0.203 18514
3952 1 15 . 1 1 13 13 GLY H H 20 8.243 8.243 8.769 -0.526 18514
3953 1 15 . 1 1 14 14 SER N N 21 114.951 114.951 114.746 0.205 18514
3954 1 15 . 1 1 14 14 SER HA H 21 4.535 4.535 4.169 0.366 18514
3955 1 15 . 1 1 14 14 SER C C 21 175.376 175.376 175.177 0.199 18514
3956 1 15 . 1 1 14 14 SER CA C 21 57.930 57.930 59.178 -1.248 18514
3957 1 15 . 1 1 14 14 SER CB C 21 64.080 64.080 62.881 1.199 18514
3958 1 15 . 1 1 14 14 SER H H 21 8.250 8.250 8.408 -0.158 18514
3959 1 15 . 1 1 15 15 SER N N 22 118.334 118.334 117.688 0.646 18514
3960 1 15 . 1 1 15 15 SER HA H 22 4.449 4.449 4.341 0.108 18514
3961 1 15 . 1 1 15 15 SER C C 22 174.863 174.863 173.718 1.145 18514
3962 1 15 . 1 1 15 15 SER CA C 22 57.767 57.767 60.599 -2.832 18514
3963 1 15 . 1 1 15 15 SER CB C 22 63.598 63.598 63.777 -0.179 18514
3964 1 15 . 1 1 15 15 SER H H 22 8.427 8.427 8.694 -0.267 18514
3965 1 15 . 1 1 16 16 ASN N N 23 120.784 120.784 115.937 4.847 18514
3966 1 15 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.853 -0.043 18514
3967 1 15 . 1 1 16 16 ASN C C 23 175.364 175.364 173.957 1.407 18514
3968 1 15 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.123 0.051 18514
3969 1 15 . 1 1 16 16 ASN CB C 23 38.467 38.467 40.927 -2.460 18514
3970 1 15 . 1 1 16 16 ASN H H 23 8.453 8.453 7.732 0.721 18514
3971 1 15 . 1 1 17 17 THR N N 24 115.660 115.660 117.652 -1.992 18514
3972 1 15 . 1 1 17 17 THR HA H 24 4.346 4.346 4.185 0.161 18514
3973 1 15 . 1 1 17 17 THR C C 24 173.428 173.428 175.437 -2.009 18514
3974 1 15 . 1 1 17 17 THR CA C 24 62.126 62.126 65.585 -3.459 18514
3975 1 15 . 1 1 17 17 THR CB C 24 68.777 68.777 69.090 -0.313 18514
3976 1 15 . 1 1 17 17 THR H H 24 8.417 8.417 8.599 -0.182 18514
3977 1 15 . 1 1 18 18 LEU N N 25 121.190 121.190 119.817 1.373 18514
3978 1 15 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.340 -0.046 18514
3979 1 15 . 1 1 18 18 LEU C C 25 173.951 173.951 177.466 -3.515 18514
3980 1 15 . 1 1 18 18 LEU CA C 25 56.248 56.248 57.524 -1.276 18514
3981 1 15 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.155 0.152 18514
3982 1 15 . 1 1 18 18 LEU H H 25 8.218 8.218 8.666 -0.448 18514
3983 1 15 . 1 1 19 19 THR N N 26 106.988 106.988 114.675 -7.687 18514
3984 1 15 . 1 1 19 19 THR HA H 26 4.230 4.230 4.630 -0.400 18514
3985 1 15 . 1 1 19 19 THR C C 26 171.429 171.429 174.628 -3.199 18514
3986 1 15 . 1 1 19 19 THR CA C 26 60.631 60.631 61.609 -0.978 18514
3987 1 15 . 1 1 19 19 THR CB C 26 68.296 68.296 68.464 -0.168 18514
3988 1 15 . 1 1 19 19 THR H H 26 7.791 7.791 7.919 -0.128 18514
3989 1 15 . 1 1 20 20 THR N N 27 121.441 121.441 116.313 5.128 18514
3990 1 15 . 1 1 20 20 THR HA H 27 3.976 3.976 4.193 -0.217 18514
3991 1 15 . 1 1 20 20 THR C C 27 175.121 175.121 176.160 -1.039 18514
3992 1 15 . 1 1 20 20 THR CA C 27 68.900 68.900 65.471 3.429 18514
3993 1 15 . 1 1 20 20 THR CB C 27 65.100 65.100 68.465 -3.365 18514
3994 1 15 . 1 1 20 20 THR H H 27 7.370 7.370 8.140 -0.770 18514
3995 1 15 . 1 1 21 21 CYS N N 28 121.174 121.174 117.041 4.133 18514
3996 1 15 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.624 -0.614 18514
3997 1 15 . 1 1 21 21 CYS C C 28 174.930 174.930 176.030 -1.100 18514
3998 1 15 . 1 1 21 21 CYS CA C 28 59.809 59.809 59.166 0.643 18514
3999 1 15 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.048 5.709 18514
4000 1 15 . 1 1 21 21 CYS H H 28 9.321 9.321 8.536 0.785 18514
4001 1 15 . 1 1 22 22 ARG N N 29 115.643 115.643 119.111 -3.468 18514
4002 1 15 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.222 -0.999 18514
4003 1 15 . 1 1 22 22 ARG C C 29 177.619 177.619 174.905 2.714 18514
4004 1 15 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.636 -3.806 18514
4005 1 15 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.800 0.468 18514
4006 1 15 . 1 1 22 22 ARG H H 29 7.880 7.880 7.713 0.167 18514
4007 1 15 . 1 1 23 23 ASN N N 30 113.854 113.854 116.115 -2.261 18514
4008 1 15 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.454 0.132 18514
4009 1 15 . 1 1 23 23 ASN C C 30 174.972 174.972 176.255 -1.283 18514
4010 1 15 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.646 -0.170 18514
4011 1 15 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.223 1.130 18514
4012 1 15 . 1 1 23 23 ASN H H 30 6.816 6.816 7.349 -0.533 18514
4013 1 15 . 1 1 24 24 SER N N 31 113.788 113.788 115.338 -1.550 18514
4014 1 15 . 1 1 24 24 SER HA H 31 4.172 4.172 4.400 -0.228 18514
4015 1 15 . 1 1 24 24 SER C C 31 174.820 174.820 175.002 -0.182 18514
4016 1 15 . 1 1 24 24 SER CA C 31 61.080 61.080 60.961 0.119 18514
4017 1 15 . 1 1 24 24 SER CB C 31 63.425 63.425 62.673 0.752 18514
4018 1 15 . 1 1 24 24 SER H H 31 8.873 8.873 8.702 0.171 18514
4019 1 15 . 1 1 25 25 ARG N N 32 119.696 119.696 118.509 1.187 18514
4020 1 15 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.394 -0.187 18514
4021 1 15 . 1 1 25 25 ARG C C 32 175.482 175.482 176.329 -0.847 18514
4022 1 15 . 1 1 25 25 ARG CA C 32 57.018 57.018 56.148 0.870 18514
4023 1 15 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.709 -0.977 18514
4024 1 15 . 1 1 25 25 ARG H H 32 8.104 8.104 8.048 0.056 18514
4025 1 15 . 1 1 26 26 CYS N N 33 123.061 123.061 122.724 0.337 18514
4026 1 15 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.887 -0.200 18514
4027 1 15 . 1 1 26 26 CYS C C 33 173.064 173.064 174.268 -1.204 18514
4028 1 15 . 1 1 26 26 CYS CA C 33 55.700 55.700 56.429 -0.729 18514
4029 1 15 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.190 3.764 18514
4030 1 15 . 1 1 26 26 CYS H H 33 7.766 7.766 7.849 -0.083 18514
4031 1 15 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.234 0.058 18514
4032 1 15 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.352 -1.086 18514
4033 1 15 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.549 0.610 18514
4034 1 15 . 1 1 28 28 CYS N N 35 129.050 129.050 115.894 13.156 18514
4035 1 15 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.206 -0.576 18514
4036 1 15 . 1 1 28 28 CYS C C 35 171.254 171.254 176.793 -5.539 18514
4037 1 15 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.385 -0.800 18514
4038 1 15 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.887 3.360 18514
4039 1 15 . 1 1 28 28 CYS H H 35 8.368 8.368 8.055 0.313 18514
4040 1 15 . 1 1 29 29 TYR N N 36 124.364 124.364 121.594 2.770 18514
4041 1 15 . 1 1 29 29 TYR HA H 36 4.060 4.060 3.931 0.129 18514
4042 1 15 . 1 1 29 29 TYR C C 36 172.650 172.650 178.012 -5.362 18514
4043 1 15 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.449 0.672 18514
4044 1 15 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.403 -0.482 18514
4045 1 15 . 1 1 29 29 TYR H H 36 8.197 8.197 7.959 0.238 18514
4046 1 15 . 1 1 30 30 LYS N N 37 117.214 117.214 118.560 -1.346 18514
4047 1 15 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.965 -0.186 18514
4048 1 15 . 1 1 30 30 LYS C C 37 172.650 172.650 177.196 -4.546 18514
4049 1 15 . 1 1 30 30 LYS CA C 37 58.396 58.396 57.981 0.415 18514
4050 1 15 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.367 0.265 18514
4051 1 15 . 1 1 30 30 LYS H H 37 8.441 8.441 8.180 0.261 18514
4052 1 15 . 1 1 31 31 SER N N 38 109.671 109.671 113.217 -3.546 18514
4053 1 15 . 1 1 31 31 SER HA H 38 4.348 4.348 4.306 0.042 18514
4054 1 15 . 1 1 31 31 SER C C 38 173.566 173.566 173.668 -0.102 18514
4055 1 15 . 1 1 31 31 SER CA C 38 56.469 56.469 57.819 -1.350 18514
4056 1 15 . 1 1 31 31 SER CB C 38 63.461 63.461 63.590 -0.129 18514
4057 1 15 . 1 1 31 31 SER H H 38 7.180 7.180 7.515 -0.335 18514
4058 1 15 . 1 1 32 32 TYR N N 39 116.096 116.096 115.816 0.280 18514
4059 1 15 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.651 -0.564 18514
4060 1 15 . 1 1 32 32 TYR C C 39 176.728 176.728 174.213 2.515 18514
4061 1 15 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.322 -0.706 18514
4062 1 15 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.718 -0.168 18514
4063 1 15 . 1 1 32 32 TYR H H 39 7.410 7.410 7.050 0.360 18514
4064 1 15 . 1 1 33 33 ASN N N 40 116.549 116.549 117.174 -0.625 18514
4065 1 15 . 1 1 33 33 ASN HA H 40 5.003 5.003 5.031 -0.028 18514
4066 1 15 . 1 1 33 33 ASN C C 40 176.083 176.083 174.454 1.629 18514
4067 1 15 . 1 1 33 33 ASN CA C 40 52.144 52.144 51.849 0.295 18514
4068 1 15 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.836 1.718 18514
4069 1 15 . 1 1 33 33 ASN H H 40 8.257 8.257 8.127 0.130 18514
4070 1 15 . 1 1 34 34 SER N N 41 115.071 115.071 115.104 -0.033 18514
4071 1 15 . 1 1 34 34 SER HA H 41 4.477 4.477 4.861 -0.384 18514
4072 1 15 . 1 1 34 34 SER C C 41 174.850 174.850 175.119 -0.269 18514
4073 1 15 . 1 1 34 34 SER CA C 41 57.625 57.625 58.650 -1.025 18514
4074 1 15 . 1 1 34 34 SER CB C 41 65.000 65.000 64.611 0.389 18514
4075 1 15 . 1 1 34 34 SER H H 41 8.720 8.720 8.638 0.082 18514
4076 1 15 . 1 1 35 35 CYS N N 42 115.950 115.950 118.938 -2.988 18514
4077 1 15 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.885 0.795 18514
4078 1 15 . 1 1 35 35 CYS C C 42 174.850 174.850 174.592 0.258 18514
4079 1 15 . 1 1 35 35 CYS CA C 42 59.784 59.784 57.776 2.008 18514
4080 1 15 . 1 1 35 35 CYS CB C 42 31.948 31.948 25.848 6.100 18514
4081 1 15 . 1 1 35 35 CYS H H 42 8.696 8.696 8.733 -0.037 18514
4082 1 15 . 1 1 36 36 ALA N N 43 124.417 124.417 123.877 0.540 18514
4083 1 15 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.158 0.059 18514
4084 1 15 . 1 1 36 36 ALA C C 43 173.572 173.572 177.029 -3.457 18514
4085 1 15 . 1 1 36 36 ALA CA C 43 54.329 54.329 52.969 1.360 18514
4086 1 15 . 1 1 36 36 ALA CB C 43 17.835 17.835 17.874 -0.039 18514
4087 1 15 . 1 1 36 36 ALA H H 43 8.002 8.002 7.791 0.211 18514
4088 1 15 . 1 1 37 37 GLY N N 44 113.524 113.524 110.444 3.080 18514
4089 1 15 . 1 1 37 37 GLY C C 44 170.263 170.263 173.905 -3.642 18514
4090 1 15 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.838 0.879 18514
4091 1 15 . 1 1 37 37 GLY H H 44 8.932 8.932 8.152 0.780 18514
4092 1 15 . 1 1 38 38 CYS N N 45 120.184 120.184 117.673 2.511 18514
4093 1 15 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.525 -0.449 18514
4094 1 15 . 1 1 38 38 CYS C C 45 170.263 170.263 174.793 -4.530 18514
4095 1 15 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.474 3.412 18514
4096 1 15 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.493 4.129 18514
4097 1 15 . 1 1 38 38 CYS H H 45 7.641 7.641 7.779 -0.138 18514
4098 1 15 . 1 1 39 39 HIS N N 46 118.156 118.156 118.252 -0.096 18514
4099 1 15 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.735 0.315 18514
4100 1 15 . 1 1 39 39 HIS C C 46 174.223 174.223 175.261 -1.038 18514
4101 1 15 . 1 1 39 39 HIS CA C 46 54.489 54.489 56.119 -1.630 18514
4102 1 15 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.840 -0.152 18514
4103 1 15 . 1 1 39 39 HIS H H 46 8.234 8.234 9.095 -0.861 18514
4104 1 15 . 1 1 40 40 CYS N N 47 118.354 118.354 117.409 0.945 18514
4105 1 15 . 1 1 40 40 CYS HA H 47 4.822 4.822 5.051 -0.229 18514
4106 1 15 . 1 1 40 40 CYS C C 47 176.296 176.296 174.867 1.429 18514
4107 1 15 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.901 -1.306 18514
4108 1 15 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.494 5.744 18514
4109 1 15 . 1 1 40 40 CYS H H 47 7.403 7.403 7.888 -0.485 18514
4110 1 15 . 1 1 41 41 VAL N N 48 118.968 118.968 124.090 -5.122 18514
4111 1 15 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.302 -0.071 18514
4112 1 15 . 1 1 41 41 VAL C C 48 174.265 174.265 176.096 -1.831 18514
4113 1 15 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.452 -0.221 18514
4114 1 15 . 1 1 41 41 VAL CB C 48 34.698 34.698 33.877 0.821 18514
4115 1 15 . 1 1 41 41 VAL H H 48 8.205 8.205 8.917 -0.712 18514
4116 1 15 . 1 1 42 42 GLY N N 49 115.726 115.726 113.749 1.977 18514
4117 1 15 . 1 1 42 42 GLY C C 49 174.223 174.223 174.203 0.020 18514
4118 1 15 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.050 1.063 18514
4119 1 15 . 1 1 42 42 GLY H H 49 8.634 8.634 8.609 0.025 18514
4120 1 15 . 1 1 43 43 CYS N N 50 119.917 119.917 121.372 -1.455 18514
4121 1 15 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.795 -1.638 18514
4122 1 15 . 1 1 43 43 CYS C C 50 173.428 173.428 175.420 -1.992 18514
4123 1 15 . 1 1 43 43 CYS CA C 50 63.346 63.346 57.218 6.128 18514
4124 1 15 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.753 6.373 18514
4125 1 15 . 1 1 43 43 CYS H H 50 7.670 7.670 8.218 -0.548 18514
4126 1 15 . 1 1 44 44 LYS N N 51 128.057 128.057 131.547 -3.490 18514
4127 1 15 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.431 0.167 18514
4128 1 15 . 1 1 44 44 LYS C C 51 171.776 171.776 175.076 -3.300 18514
4129 1 15 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.443 -0.407 18514
4130 1 15 . 1 1 44 44 LYS CB C 51 31.725 31.725 31.645 0.080 18514
4131 1 15 . 1 1 44 44 LYS H H 51 7.934 7.934 8.042 -0.108 18514
4132 1 15 . 1 1 45 45 ASN N N 52 125.259 125.259 123.429 1.830 18514
4133 1 15 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.224 -0.457 18514
4134 1 15 . 1 1 45 45 ASN C C 52 171.776 171.776 173.846 -2.070 18514
4135 1 15 . 1 1 45 45 ASN CA C 52 52.250 52.250 50.042 2.208 18514
4136 1 15 . 1 1 45 45 ASN CB C 52 39.520 39.520 40.121 -0.601 18514
4137 1 15 . 1 1 45 45 ASN H H 52 9.076 9.076 8.201 0.875 18514
4138 1 15 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.355 0.108 18514
4139 1 15 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.938 -0.807 18514
4140 1 15 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.128 0.203 18514
4141 1 15 . 1 1 47 47 HIS N N 54 121.186 121.186 118.985 2.201 18514
4142 1 15 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.668 -0.154 18514
4143 1 15 . 1 1 47 47 HIS C C 54 172.204 172.204 174.253 -2.049 18514
4144 1 15 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.131 1.173 18514
4145 1 15 . 1 1 47 47 HIS CB C 54 27.908 27.908 29.354 -1.446 18514
4146 1 15 . 1 1 47 47 HIS H H 54 8.236 8.236 8.641 -0.405 18514
4147 1 15 . 1 1 48 48 LYS N N 55 123.556 123.556 124.340 -0.784 18514
4148 1 15 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.322 0.139 18514
4149 1 15 . 1 1 48 48 LYS C C 55 175.066 175.066 176.728 -1.662 18514
4150 1 15 . 1 1 48 48 LYS CA C 55 55.320 55.320 55.506 -0.186 18514
4151 1 15 . 1 1 48 48 LYS CB C 55 34.106 34.106 33.001 1.105 18514
4152 1 15 . 1 1 48 48 LYS H H 55 8.470 8.470 7.884 0.586 18514
4153 1 15 . 1 1 49 49 GLU N N 56 121.100 121.100 123.751 -2.651 18514
4154 1 15 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.143 0.208 18514
4155 1 15 . 1 1 49 49 GLU C C 56 173.210 173.210 175.809 -2.599 18514
4156 1 15 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.078 0.285 18514
4157 1 15 . 1 1 49 49 GLU CB C 56 30.623 30.623 28.363 2.260 18514
4158 1 15 . 1 1 49 49 GLU H H 56 8.523 8.523 8.407 0.116 18514
4159 1 15 . 1 1 50 50 ASP N N 57 121.579 121.579 123.787 -2.208 18514
4160 1 15 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.488 0.181 18514
4161 1 15 . 1 1 50 50 ASP C C 57 173.845 173.845 175.439 -1.594 18514
4162 1 15 . 1 1 50 50 ASP CA C 57 54.291 54.291 56.291 -2.000 18514
4163 1 15 . 1 1 50 50 ASP CB C 57 41.452 41.452 41.091 0.361 18514
4164 1 15 . 1 1 50 50 ASP H H 57 8.396 8.396 8.919 -0.523 18514
4165 1 15 . 1 1 51 51 TYR N N 58 120.844 120.844 118.294 2.550 18514
4166 1 15 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.756 -0.239 18514
4167 1 15 . 1 1 51 51 TYR C C 58 173.968 173.968 174.661 -0.693 18514
4168 1 15 . 1 1 51 51 TYR CA C 58 57.796 57.796 55.829 1.967 18514
4169 1 15 . 1 1 51 51 TYR CB C 58 38.958 38.958 37.665 1.293 18514
4170 1 15 . 1 1 51 51 TYR H H 58 8.176 8.176 7.654 0.522 18514
4171 1 16 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.655 0.128 18514
4172 1 16 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.085 -0.278 18514
4173 1 16 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.307 -0.516 18514
4174 1 16 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.416 -0.013 18514
4175 1 16 . 1 1 3 3 PRO CA C 10 62.734 62.734 63.508 -0.774 18514
4176 1 16 . 1 1 3 3 PRO CB C 10 31.888 31.888 31.773 0.115 18514
4177 1 16 . 1 1 4 4 LYS N N 11 124.307 124.307 125.113 -0.806 18514
4178 1 16 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.482 0.033 18514
4179 1 16 . 1 1 4 4 LYS C C 11 173.272 173.272 174.810 -1.538 18514
4180 1 16 . 1 1 4 4 LYS CA C 11 54.281 54.281 54.738 -0.457 18514
4181 1 16 . 1 1 4 4 LYS CB C 11 31.920 31.920 31.788 0.133 18514
4182 1 16 . 1 1 4 4 LYS H H 11 8.380 8.380 8.182 0.198 18514
4183 1 16 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.467 -0.031 18514
4184 1 16 . 1 1 5 5 PRO C C 12 127.380 127.380 175.732 -48.352 18514
4185 1 16 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.910 -0.117 18514
4186 1 16 . 1 1 5 5 PRO CB C 12 32.082 32.082 31.881 0.201 18514
4187 1 16 . 1 1 6 6 LYS N N 13 118.851 118.851 123.228 -4.377 18514
4188 1 16 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.511 0.636 18514
4189 1 16 . 1 1 6 6 LYS C C 13 173.408 173.408 176.224 -2.816 18514
4190 1 16 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.514 -0.056 18514
4191 1 16 . 1 1 6 6 LYS CB C 13 34.841 34.841 32.822 2.019 18514
4192 1 16 . 1 1 6 6 LYS H H 13 8.064 8.064 8.095 -0.031 18514
4193 1 16 . 1 1 7 7 CYS N N 14 127.385 127.385 121.575 5.810 18514
4194 1 16 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.660 0.568 18514
4195 1 16 . 1 1 7 7 CYS C C 14 173.408 173.408 175.076 -1.668 18514
4196 1 16 . 1 1 7 7 CYS CA C 14 56.592 56.592 57.581 -0.989 18514
4197 1 16 . 1 1 7 7 CYS CB C 14 34.861 34.861 30.181 4.680 18514
4198 1 16 . 1 1 7 7 CYS H H 14 9.943 9.943 8.205 1.738 18514
4199 1 16 . 1 1 8 8 ARG N N 15 117.940 117.940 119.393 -1.453 18514
4200 1 16 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.627 -0.281 18514
4201 1 16 . 1 1 8 8 ARG C C 15 175.808 175.808 175.767 0.041 18514
4202 1 16 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.170 -0.799 18514
4203 1 16 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.570 0.161 18514
4204 1 16 . 1 1 8 8 ARG H H 15 8.835 8.835 8.475 0.360 18514
4205 1 16 . 1 1 9 9 CYS N N 16 122.323 122.323 118.159 4.164 18514
4206 1 16 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.691 -0.667 18514
4207 1 16 . 1 1 9 9 CYS C C 16 174.360 174.360 176.324 -1.964 18514
4208 1 16 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.693 -0.454 18514
4209 1 16 . 1 1 9 9 CYS CB C 16 32.451 32.451 25.362 7.089 18514
4210 1 16 . 1 1 9 9 CYS H H 16 7.433 7.433 8.305 -0.872 18514
4211 1 16 . 1 1 10 10 GLY N N 17 108.065 108.065 115.328 -7.263 18514
4212 1 16 . 1 1 10 10 GLY C C 17 174.518 174.518 175.132 -0.614 18514
4213 1 16 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.824 -0.264 18514
4214 1 16 . 1 1 10 10 GLY H H 17 8.788 8.788 9.016 -0.228 18514
4215 1 16 . 1 1 11 11 ILE N N 18 118.990 118.990 121.504 -2.514 18514
4216 1 16 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.124 -0.147 18514
4217 1 16 . 1 1 11 11 ILE C C 18 173.820 173.820 176.192 -2.372 18514
4218 1 16 . 1 1 11 11 ILE CA C 18 63.590 63.590 62.849 0.741 18514
4219 1 16 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.940 -0.216 18514
4220 1 16 . 1 1 11 11 ILE H H 18 7.557 7.557 7.751 -0.194 18514
4221 1 16 . 1 1 12 12 SER N N 19 116.128 116.128 115.597 0.531 18514
4222 1 16 . 1 1 12 12 SER HA H 19 4.510 4.510 4.664 -0.154 18514
4223 1 16 . 1 1 12 12 SER C C 19 172.948 172.948 173.942 -0.994 18514
4224 1 16 . 1 1 12 12 SER CA C 19 58.200 58.200 57.222 0.978 18514
4225 1 16 . 1 1 12 12 SER CB C 19 63.800 63.800 65.170 -1.370 18514
4226 1 16 . 1 1 12 12 SER H H 19 8.418 8.418 8.087 0.331 18514
4227 1 16 . 1 1 13 13 GLY N N 20 110.984 110.984 112.566 -1.582 18514
4228 1 16 . 1 1 13 13 GLY C C 20 172.948 172.948 174.121 -1.173 18514
4229 1 16 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.131 0.267 18514
4230 1 16 . 1 1 13 13 GLY H H 20 8.243 8.243 8.451 -0.208 18514
4231 1 16 . 1 1 14 14 SER N N 21 114.951 114.951 114.804 0.147 18514
4232 1 16 . 1 1 14 14 SER HA H 21 4.535 4.535 4.468 0.067 18514
4233 1 16 . 1 1 14 14 SER C C 21 175.376 175.376 174.384 0.992 18514
4234 1 16 . 1 1 14 14 SER CA C 21 57.930 57.930 59.427 -1.497 18514
4235 1 16 . 1 1 14 14 SER CB C 21 64.080 64.080 63.553 0.527 18514
4236 1 16 . 1 1 14 14 SER H H 21 8.250 8.250 8.540 -0.290 18514
4237 1 16 . 1 1 15 15 SER N N 22 118.334 118.334 117.287 1.047 18514
4238 1 16 . 1 1 15 15 SER HA H 22 4.449 4.449 4.637 -0.188 18514
4239 1 16 . 1 1 15 15 SER C C 22 174.863 174.863 174.369 0.494 18514
4240 1 16 . 1 1 15 15 SER CA C 22 57.767 57.767 58.165 -0.398 18514
4241 1 16 . 1 1 15 15 SER CB C 22 63.598 63.598 64.765 -1.167 18514
4242 1 16 . 1 1 15 15 SER H H 22 8.427 8.427 8.466 -0.039 18514
4243 1 16 . 1 1 16 16 ASN N N 23 120.784 120.784 118.157 2.627 18514
4244 1 16 . 1 1 16 16 ASN HA H 23 4.810 4.810 5.044 -0.234 18514
4245 1 16 . 1 1 16 16 ASN C C 23 175.364 175.364 174.130 1.234 18514
4246 1 16 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.163 0.010 18514
4247 1 16 . 1 1 16 16 ASN CB C 23 38.467 38.467 41.225 -2.758 18514
4248 1 16 . 1 1 16 16 ASN H H 23 8.453 8.453 7.934 0.519 18514
4249 1 16 . 1 1 17 17 THR N N 24 115.660 115.660 115.348 0.312 18514
4250 1 16 . 1 1 17 17 THR HA H 24 4.346 4.346 4.121 0.225 18514
4251 1 16 . 1 1 17 17 THR C C 24 173.428 173.428 176.350 -2.922 18514
4252 1 16 . 1 1 17 17 THR CA C 24 62.126 62.126 65.756 -3.630 18514
4253 1 16 . 1 1 17 17 THR CB C 24 68.777 68.777 68.980 -0.202 18514
4254 1 16 . 1 1 17 17 THR H H 24 8.417 8.417 8.321 0.096 18514
4255 1 16 . 1 1 18 18 LEU N N 25 121.190 121.190 118.095 3.095 18514
4256 1 16 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.180 0.114 18514
4257 1 16 . 1 1 18 18 LEU C C 25 173.951 173.951 176.844 -2.893 18514
4258 1 16 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.578 -0.330 18514
4259 1 16 . 1 1 18 18 LEU CB C 25 42.307 42.307 41.739 0.568 18514
4260 1 16 . 1 1 18 18 LEU H H 25 8.218 8.218 7.834 0.384 18514
4261 1 16 . 1 1 19 19 THR N N 26 106.988 106.988 104.922 2.066 18514
4262 1 16 . 1 1 19 19 THR HA H 26 4.230 4.230 4.668 -0.438 18514
4263 1 16 . 1 1 19 19 THR C C 26 171.429 171.429 175.494 -4.065 18514
4264 1 16 . 1 1 19 19 THR CA C 26 60.631 60.631 59.521 1.110 18514
4265 1 16 . 1 1 19 19 THR CB C 26 68.296 68.296 69.518 -1.222 18514
4266 1 16 . 1 1 19 19 THR H H 26 7.791 7.791 7.227 0.564 18514
4267 1 16 . 1 1 20 20 THR N N 27 121.441 121.441 116.387 5.054 18514
4268 1 16 . 1 1 20 20 THR HA H 27 3.976 3.976 4.005 -0.029 18514
4269 1 16 . 1 1 20 20 THR C C 27 175.121 175.121 175.556 -0.435 18514
4270 1 16 . 1 1 20 20 THR CA C 27 68.900 68.900 65.106 3.794 18514
4271 1 16 . 1 1 20 20 THR CB C 27 65.100 65.100 68.444 -3.344 18514
4272 1 16 . 1 1 20 20 THR H H 27 7.370 7.370 7.640 -0.270 18514
4273 1 16 . 1 1 21 21 CYS N N 28 121.174 121.174 117.541 3.633 18514
4274 1 16 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.556 -0.546 18514
4275 1 16 . 1 1 21 21 CYS C C 28 174.930 174.930 175.694 -0.764 18514
4276 1 16 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.722 1.087 18514
4277 1 16 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.146 5.611 18514
4278 1 16 . 1 1 21 21 CYS H H 28 9.321 9.321 8.347 0.974 18514
4279 1 16 . 1 1 22 22 ARG N N 29 115.643 115.643 120.464 -4.821 18514
4280 1 16 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.266 -1.043 18514
4281 1 16 . 1 1 22 22 ARG C C 29 177.619 177.619 173.969 3.650 18514
4282 1 16 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.059 -3.229 18514
4283 1 16 . 1 1 22 22 ARG CB C 29 31.268 31.268 29.599 1.669 18514
4284 1 16 . 1 1 22 22 ARG H H 29 7.880 7.880 7.414 0.466 18514
4285 1 16 . 1 1 23 23 ASN N N 30 113.854 113.854 114.321 -0.467 18514
4286 1 16 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.481 0.105 18514
4287 1 16 . 1 1 23 23 ASN C C 30 174.972 174.972 175.137 -0.165 18514
4288 1 16 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.607 -0.131 18514
4289 1 16 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.639 0.714 18514
4290 1 16 . 1 1 23 23 ASN H H 30 6.816 6.816 7.199 -0.383 18514
4291 1 16 . 1 1 24 24 SER N N 31 113.788 113.788 114.316 -0.528 18514
4292 1 16 . 1 1 24 24 SER HA H 31 4.172 4.172 4.411 -0.239 18514
4293 1 16 . 1 1 24 24 SER C C 31 174.820 174.820 174.790 0.030 18514
4294 1 16 . 1 1 24 24 SER CA C 31 61.080 61.080 60.350 0.730 18514
4295 1 16 . 1 1 24 24 SER CB C 31 63.425 63.425 62.972 0.453 18514
4296 1 16 . 1 1 24 24 SER H H 31 8.873 8.873 8.680 0.193 18514
4297 1 16 . 1 1 25 25 ARG N N 32 119.696 119.696 118.450 1.246 18514
4298 1 16 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.437 -0.230 18514
4299 1 16 . 1 1 25 25 ARG C C 32 175.482 175.482 175.863 -0.381 18514
4300 1 16 . 1 1 25 25 ARG CA C 32 57.018 57.018 55.794 1.224 18514
4301 1 16 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.782 -1.050 18514
4302 1 16 . 1 1 25 25 ARG H H 32 8.104 8.104 7.903 0.201 18514
4303 1 16 . 1 1 26 26 CYS N N 33 123.061 123.061 122.195 0.866 18514
4304 1 16 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.849 -0.162 18514
4305 1 16 . 1 1 26 26 CYS C C 33 173.064 173.064 173.524 -0.460 18514
4306 1 16 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.685 0.015 18514
4307 1 16 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.706 3.248 18514
4308 1 16 . 1 1 26 26 CYS H H 33 7.766 7.766 7.772 -0.006 18514
4309 1 16 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.467 -0.175 18514
4310 1 16 . 1 1 27 27 PRO CA C 34 64.266 64.266 64.954 -0.688 18514
4311 1 16 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.182 0.976 18514
4312 1 16 . 1 1 28 28 CYS N N 35 129.050 129.050 115.064 13.986 18514
4313 1 16 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.406 -0.776 18514
4314 1 16 . 1 1 28 28 CYS C C 35 171.254 171.254 176.707 -5.453 18514
4315 1 16 . 1 1 28 28 CYS CA C 35 62.585 62.585 62.199 0.386 18514
4316 1 16 . 1 1 28 28 CYS CB C 35 29.247 29.247 27.302 1.945 18514
4317 1 16 . 1 1 28 28 CYS H H 35 8.368 8.368 7.789 0.579 18514
4318 1 16 . 1 1 29 29 TYR N N 36 124.364 124.364 122.668 1.696 18514
4319 1 16 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.364 -0.304 18514
4320 1 16 . 1 1 29 29 TYR C C 36 172.650 172.650 177.734 -5.084 18514
4321 1 16 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.595 0.526 18514
4322 1 16 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.674 -0.753 18514
4323 1 16 . 1 1 29 29 TYR H H 36 8.197 8.197 7.713 0.484 18514
4324 1 16 . 1 1 30 30 LYS N N 37 117.214 117.214 118.728 -1.514 18514
4325 1 16 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.937 -0.158 18514
4326 1 16 . 1 1 30 30 LYS C C 37 172.650 172.650 177.822 -5.172 18514
4327 1 16 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.170 0.226 18514
4328 1 16 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.418 0.214 18514
4329 1 16 . 1 1 30 30 LYS H H 37 8.441 8.441 8.515 -0.074 18514
4330 1 16 . 1 1 31 31 SER N N 38 109.671 109.671 113.373 -3.702 18514
4331 1 16 . 1 1 31 31 SER HA H 38 4.348 4.348 4.470 -0.122 18514
4332 1 16 . 1 1 31 31 SER C C 38 173.566 173.566 173.964 -0.398 18514
4333 1 16 . 1 1 31 31 SER CA C 38 56.469 56.469 58.878 -2.409 18514
4334 1 16 . 1 1 31 31 SER CB C 38 63.461 63.461 63.598 -0.137 18514
4335 1 16 . 1 1 31 31 SER H H 38 7.180 7.180 7.887 -0.707 18514
4336 1 16 . 1 1 32 32 TYR N N 39 116.096 116.096 116.188 -0.092 18514
4337 1 16 . 1 1 32 32 TYR HA H 39 3.087 3.087 4.402 -1.315 18514
4338 1 16 . 1 1 32 32 TYR C C 39 176.728 176.728 174.569 2.159 18514
4339 1 16 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.074 -0.458 18514
4340 1 16 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.944 -0.394 18514
4341 1 16 . 1 1 32 32 TYR H H 39 7.410 7.410 7.361 0.049 18514
4342 1 16 . 1 1 33 33 ASN N N 40 116.549 116.549 118.631 -2.082 18514
4343 1 16 . 1 1 33 33 ASN HA H 40 5.003 5.003 5.187 -0.184 18514
4344 1 16 . 1 1 33 33 ASN C C 40 176.083 176.083 173.245 2.838 18514
4345 1 16 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.315 -0.171 18514
4346 1 16 . 1 1 33 33 ASN CB C 40 43.554 43.554 42.768 0.786 18514
4347 1 16 . 1 1 33 33 ASN H H 40 8.257 8.257 8.509 -0.252 18514
4348 1 16 . 1 1 34 34 SER N N 41 115.071 115.071 113.496 1.575 18514
4349 1 16 . 1 1 34 34 SER HA H 41 4.477 4.477 4.754 -0.277 18514
4350 1 16 . 1 1 34 34 SER C C 41 174.850 174.850 175.593 -0.743 18514
4351 1 16 . 1 1 34 34 SER CA C 41 57.625 57.625 56.879 0.746 18514
4352 1 16 . 1 1 34 34 SER CB C 41 65.000 65.000 65.318 -0.318 18514
4353 1 16 . 1 1 34 34 SER H H 41 8.720 8.720 8.210 0.510 18514
4354 1 16 . 1 1 35 35 CYS N N 42 115.950 115.950 122.876 -6.926 18514
4355 1 16 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.570 1.110 18514
4356 1 16 . 1 1 35 35 CYS C C 42 174.850 174.850 175.326 -0.476 18514
4357 1 16 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.988 0.796 18514
4358 1 16 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.343 7.605 18514
4359 1 16 . 1 1 35 35 CYS H H 42 8.696 8.696 9.075 -0.379 18514
4360 1 16 . 1 1 36 36 ALA N N 43 124.417 124.417 126.244 -1.827 18514
4361 1 16 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.439 -0.222 18514
4362 1 16 . 1 1 36 36 ALA C C 43 173.572 173.572 177.372 -3.800 18514
4363 1 16 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.572 2.757 18514
4364 1 16 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.146 -0.311 18514
4365 1 16 . 1 1 36 36 ALA H H 43 8.002 8.002 7.966 0.036 18514
4366 1 16 . 1 1 37 37 GLY N N 44 113.524 113.524 111.493 2.031 18514
4367 1 16 . 1 1 37 37 GLY C C 44 170.263 170.263 173.742 -3.479 18514
4368 1 16 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.867 0.850 18514
4369 1 16 . 1 1 37 37 GLY H H 44 8.932 8.932 8.368 0.564 18514
4370 1 16 . 1 1 38 38 CYS N N 45 120.184 120.184 118.546 1.638 18514
4371 1 16 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.338 -0.262 18514
4372 1 16 . 1 1 38 38 CYS C C 45 170.263 170.263 175.127 -4.864 18514
4373 1 16 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.876 3.010 18514
4374 1 16 . 1 1 38 38 CYS CB C 45 33.622 33.622 27.786 5.836 18514
4375 1 16 . 1 1 38 38 CYS H H 45 7.641 7.641 7.795 -0.154 18514
4376 1 16 . 1 1 39 39 HIS N N 46 118.156 118.156 119.781 -1.625 18514
4377 1 16 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.725 0.325 18514
4378 1 16 . 1 1 39 39 HIS C C 46 174.223 174.223 175.122 -0.899 18514
4379 1 16 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.700 -1.211 18514
4380 1 16 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.044 0.644 18514
4381 1 16 . 1 1 39 39 HIS H H 46 8.234 8.234 8.595 -0.361 18514
4382 1 16 . 1 1 40 40 CYS N N 47 118.354 118.354 116.199 2.155 18514
4383 1 16 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.636 0.186 18514
4384 1 16 . 1 1 40 40 CYS C C 47 176.296 176.296 174.873 1.423 18514
4385 1 16 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.817 -1.221 18514
4386 1 16 . 1 1 40 40 CYS CB C 47 33.238 33.238 28.106 5.132 18514
4387 1 16 . 1 1 40 40 CYS H H 47 7.403 7.403 7.798 -0.395 18514
4388 1 16 . 1 1 41 41 VAL N N 48 118.968 118.968 123.691 -4.723 18514
4389 1 16 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.140 0.091 18514
4390 1 16 . 1 1 41 41 VAL C C 48 174.265 174.265 176.379 -2.114 18514
4391 1 16 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.943 -0.712 18514
4392 1 16 . 1 1 41 41 VAL CB C 48 34.698 34.698 32.371 2.327 18514
4393 1 16 . 1 1 41 41 VAL H H 48 8.205 8.205 8.507 -0.302 18514
4394 1 16 . 1 1 42 42 GLY N N 49 115.726 115.726 115.341 0.385 18514
4395 1 16 . 1 1 42 42 GLY C C 49 174.223 174.223 174.697 -0.474 18514
4396 1 16 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.233 0.881 18514
4397 1 16 . 1 1 42 42 GLY H H 49 8.634 8.634 8.708 -0.074 18514
4398 1 16 . 1 1 43 43 CYS N N 50 119.917 119.917 116.893 3.024 18514
4399 1 16 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.600 -1.443 18514
4400 1 16 . 1 1 43 43 CYS C C 50 173.428 173.428 175.919 -2.491 18514
4401 1 16 . 1 1 43 43 CYS CA C 50 63.346 63.346 56.790 6.556 18514
4402 1 16 . 1 1 43 43 CYS CB C 50 33.126 33.126 27.960 5.166 18514
4403 1 16 . 1 1 43 43 CYS H H 50 7.670 7.670 8.030 -0.360 18514
4404 1 16 . 1 1 44 44 LYS N N 51 128.057 128.057 126.590 1.467 18514
4405 1 16 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.504 0.094 18514
4406 1 16 . 1 1 44 44 LYS C C 51 171.776 171.776 175.117 -3.341 18514
4407 1 16 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.545 -0.509 18514
4408 1 16 . 1 1 44 44 LYS CB C 51 31.725 31.725 31.683 0.042 18514
4409 1 16 . 1 1 44 44 LYS H H 51 7.934 7.934 8.090 -0.156 18514
4410 1 16 . 1 1 45 45 ASN N N 52 125.259 125.259 123.733 1.526 18514
4411 1 16 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.188 -0.421 18514
4412 1 16 . 1 1 45 45 ASN C C 52 171.776 171.776 173.995 -2.219 18514
4413 1 16 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.721 2.529 18514
4414 1 16 . 1 1 45 45 ASN CB C 52 39.520 39.520 40.434 -0.914 18514
4415 1 16 . 1 1 45 45 ASN H H 52 9.076 9.076 8.087 0.989 18514
4416 1 16 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.280 0.183 18514
4417 1 16 . 1 1 46 46 PRO CA C 53 63.131 63.131 65.079 -1.948 18514
4418 1 16 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.151 0.180 18514
4419 1 16 . 1 1 47 47 HIS N N 54 121.186 121.186 115.054 6.132 18514
4420 1 16 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.874 -0.360 18514
4421 1 16 . 1 1 47 47 HIS C C 54 172.204 172.204 173.620 -1.416 18514
4422 1 16 . 1 1 47 47 HIS CA C 54 56.304 56.304 54.434 1.870 18514
4423 1 16 . 1 1 47 47 HIS CB C 54 27.908 27.908 29.022 -1.114 18514
4424 1 16 . 1 1 47 47 HIS H H 54 8.236 8.236 8.591 -0.355 18514
4425 1 16 . 1 1 48 48 LYS N N 55 123.556 123.556 122.415 1.141 18514
4426 1 16 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.413 0.048 18514
4427 1 16 . 1 1 48 48 LYS C C 55 175.066 175.066 174.805 0.261 18514
4428 1 16 . 1 1 48 48 LYS CA C 55 55.320 55.320 55.338 -0.018 18514
4429 1 16 . 1 1 48 48 LYS CB C 55 34.106 34.106 33.558 0.548 18514
4430 1 16 . 1 1 48 48 LYS H H 55 8.470 8.470 7.820 0.650 18514
4431 1 16 . 1 1 49 49 GLU N N 56 121.100 121.100 120.988 0.112 18514
4432 1 16 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.193 0.158 18514
4433 1 16 . 1 1 49 49 GLU C C 56 173.210 173.210 175.366 -2.156 18514
4434 1 16 . 1 1 49 49 GLU CA C 56 56.363 56.363 55.518 0.845 18514
4435 1 16 . 1 1 49 49 GLU CB C 56 30.623 30.623 29.530 1.093 18514
4436 1 16 . 1 1 49 49 GLU H H 56 8.523 8.523 8.509 0.014 18514
4437 1 16 . 1 1 50 50 ASP N N 57 121.579 121.579 126.565 -4.986 18514
4438 1 16 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.595 0.074 18514
4439 1 16 . 1 1 50 50 ASP C C 57 173.845 173.845 175.572 -1.727 18514
4440 1 16 . 1 1 50 50 ASP CA C 57 54.291 54.291 54.184 0.107 18514
4441 1 16 . 1 1 50 50 ASP CB C 57 41.452 41.452 41.762 -0.310 18514
4442 1 16 . 1 1 50 50 ASP H H 57 8.396 8.396 8.175 0.221 18514
4443 1 16 . 1 1 51 51 TYR N N 58 120.844 120.844 122.326 -1.482 18514
4444 1 16 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.702 -0.185 18514
4445 1 16 . 1 1 51 51 TYR C C 58 173.968 173.968 175.895 -1.927 18514
4446 1 16 . 1 1 51 51 TYR CA C 58 57.796 57.796 58.066 -0.270 18514
4447 1 16 . 1 1 51 51 TYR CB C 58 38.958 38.958 38.749 0.209 18514
4448 1 16 . 1 1 51 51 TYR H H 58 8.176 8.176 8.510 -0.334 18514
4449 1 17 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.777 0.006 18514
4450 1 17 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.174 -0.367 18514
4451 1 17 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.674 -0.883 18514
4452 1 17 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.492 -0.089 18514
4453 1 17 . 1 1 3 3 PRO CA C 10 62.734 62.734 63.050 -0.316 18514
4454 1 17 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.247 -0.359 18514
4455 1 17 . 1 1 4 4 LYS N N 11 124.307 124.307 125.760 -1.453 18514
4456 1 17 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.640 -0.125 18514
4457 1 17 . 1 1 4 4 LYS C C 11 173.272 173.272 174.478 -1.206 18514
4458 1 17 . 1 1 4 4 LYS CA C 11 54.281 54.281 53.611 0.670 18514
4459 1 17 . 1 1 4 4 LYS CB C 11 31.920 31.920 33.430 -1.510 18514
4460 1 17 . 1 1 4 4 LYS H H 11 8.380 8.380 8.107 0.273 18514
4461 1 17 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.406 0.030 18514
4462 1 17 . 1 1 5 5 PRO C C 12 127.380 127.380 175.865 -48.485 18514
4463 1 17 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.711 0.082 18514
4464 1 17 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.166 -0.083 18514
4465 1 17 . 1 1 6 6 LYS N N 13 118.851 118.851 121.637 -2.786 18514
4466 1 17 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.481 0.666 18514
4467 1 17 . 1 1 6 6 LYS C C 13 173.408 173.408 175.763 -2.355 18514
4468 1 17 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.852 -0.395 18514
4469 1 17 . 1 1 6 6 LYS CB C 13 34.841 34.841 32.210 2.631 18514
4470 1 17 . 1 1 6 6 LYS H H 13 8.064 8.064 8.102 -0.038 18514
4471 1 17 . 1 1 7 7 CYS N N 14 127.385 127.385 121.674 5.711 18514
4472 1 17 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.640 0.588 18514
4473 1 17 . 1 1 7 7 CYS C C 14 173.408 173.408 175.470 -2.062 18514
4474 1 17 . 1 1 7 7 CYS CA C 14 56.592 56.592 57.430 -0.838 18514
4475 1 17 . 1 1 7 7 CYS CB C 14 34.861 34.861 29.448 5.413 18514
4476 1 17 . 1 1 7 7 CYS H H 14 9.943 9.943 8.485 1.458 18514
4477 1 17 . 1 1 8 8 ARG N N 15 117.940 117.940 122.150 -4.210 18514
4478 1 17 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.581 -0.235 18514
4479 1 17 . 1 1 8 8 ARG C C 15 175.808 175.808 175.862 -0.054 18514
4480 1 17 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.349 -0.978 18514
4481 1 17 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.392 0.339 18514
4482 1 17 . 1 1 8 8 ARG H H 15 8.835 8.835 8.453 0.382 18514
4483 1 17 . 1 1 9 9 CYS N N 16 122.323 122.323 117.451 4.872 18514
4484 1 17 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.405 -0.381 18514
4485 1 17 . 1 1 9 9 CYS C C 16 174.360 174.360 176.260 -1.900 18514
4486 1 17 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.612 -0.373 18514
4487 1 17 . 1 1 9 9 CYS CB C 16 32.451 32.451 26.945 5.506 18514
4488 1 17 . 1 1 9 9 CYS H H 16 7.433 7.433 8.325 -0.892 18514
4489 1 17 . 1 1 10 10 GLY N N 17 108.065 108.065 112.193 -4.128 18514
4490 1 17 . 1 1 10 10 GLY C C 17 174.518 174.518 175.208 -0.690 18514
4491 1 17 . 1 1 10 10 GLY CA C 17 45.560 45.560 46.368 -0.808 18514
4492 1 17 . 1 1 10 10 GLY H H 17 8.788 8.788 8.550 0.238 18514
4493 1 17 . 1 1 11 11 ILE N N 18 118.990 118.990 120.495 -1.505 18514
4494 1 17 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.042 -0.065 18514
4495 1 17 . 1 1 11 11 ILE C C 18 173.820 173.820 176.371 -2.551 18514
4496 1 17 . 1 1 11 11 ILE CA C 18 63.590 63.590 62.780 0.810 18514
4497 1 17 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.455 0.269 18514
4498 1 17 . 1 1 11 11 ILE H H 18 7.557 7.557 7.623 -0.066 18514
4499 1 17 . 1 1 12 12 SER N N 19 116.128 116.128 114.381 1.747 18514
4500 1 17 . 1 1 12 12 SER HA H 19 4.510 4.510 4.666 -0.156 18514
4501 1 17 . 1 1 12 12 SER C C 19 172.948 172.948 173.280 -0.332 18514
4502 1 17 . 1 1 12 12 SER CA C 19 58.200 58.200 57.682 0.518 18514
4503 1 17 . 1 1 12 12 SER CB C 19 63.800 63.800 64.625 -0.825 18514
4504 1 17 . 1 1 12 12 SER H H 19 8.418 8.418 7.797 0.621 18514
4505 1 17 . 1 1 13 13 GLY N N 20 110.984 110.984 112.715 -1.731 18514
4506 1 17 . 1 1 13 13 GLY C C 20 172.948 172.948 173.726 -0.778 18514
4507 1 17 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.201 0.197 18514
4508 1 17 . 1 1 13 13 GLY H H 20 8.243 8.243 8.115 0.128 18514
4509 1 17 . 1 1 14 14 SER N N 21 114.951 114.951 121.978 -7.027 18514
4510 1 17 . 1 1 14 14 SER HA H 21 4.535 4.535 4.634 -0.099 18514
4511 1 17 . 1 1 14 14 SER C C 21 175.376 175.376 175.409 -0.033 18514
4512 1 17 . 1 1 14 14 SER CA C 21 57.930 57.930 58.659 -0.729 18514
4513 1 17 . 1 1 14 14 SER CB C 21 64.080 64.080 62.570 1.510 18514
4514 1 17 . 1 1 14 14 SER H H 21 8.250 8.250 8.522 -0.272 18514
4515 1 17 . 1 1 15 15 SER N N 22 118.334 118.334 120.106 -1.772 18514
4516 1 17 . 1 1 15 15 SER HA H 22 4.449 4.449 4.034 0.415 18514
4517 1 17 . 1 1 15 15 SER C C 22 174.863 174.863 173.716 1.147 18514
4518 1 17 . 1 1 15 15 SER CA C 22 57.767 57.767 60.505 -2.739 18514
4519 1 17 . 1 1 15 15 SER CB C 22 63.598 63.598 62.750 0.848 18514
4520 1 17 . 1 1 15 15 SER H H 22 8.427 8.427 8.750 -0.323 18514
4521 1 17 . 1 1 16 16 ASN N N 23 120.784 120.784 120.994 -0.210 18514
4522 1 17 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.646 0.164 18514
4523 1 17 . 1 1 16 16 ASN C C 23 175.364 175.364 174.798 0.566 18514
4524 1 17 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.316 -0.142 18514
4525 1 17 . 1 1 16 16 ASN CB C 23 38.467 38.467 37.677 0.790 18514
4526 1 17 . 1 1 16 16 ASN H H 23 8.453 8.453 8.260 0.193 18514
4527 1 17 . 1 1 17 17 THR N N 24 115.660 115.660 118.430 -2.770 18514
4528 1 17 . 1 1 17 17 THR HA H 24 4.346 4.346 4.479 -0.133 18514
4529 1 17 . 1 1 17 17 THR C C 24 173.428 173.428 175.255 -1.827 18514
4530 1 17 . 1 1 17 17 THR CA C 24 62.126 62.126 61.344 0.781 18514
4531 1 17 . 1 1 17 17 THR CB C 24 68.777 68.777 69.102 -0.325 18514
4532 1 17 . 1 1 17 17 THR H H 24 8.417 8.417 8.187 0.230 18514
4533 1 17 . 1 1 18 18 LEU N N 25 121.190 121.190 118.454 2.736 18514
4534 1 17 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.833 -0.539 18514
4535 1 17 . 1 1 18 18 LEU C C 25 173.951 173.951 177.369 -3.418 18514
4536 1 17 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.143 0.105 18514
4537 1 17 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.635 -0.328 18514
4538 1 17 . 1 1 18 18 LEU H H 25 8.218 8.218 7.479 0.739 18514
4539 1 17 . 1 1 19 19 THR N N 26 106.988 106.988 114.626 -7.638 18514
4540 1 17 . 1 1 19 19 THR HA H 26 4.230 4.230 4.694 -0.464 18514
4541 1 17 . 1 1 19 19 THR C C 26 171.429 171.429 175.879 -4.450 18514
4542 1 17 . 1 1 19 19 THR CA C 26 60.631 60.631 61.521 -0.890 18514
4543 1 17 . 1 1 19 19 THR CB C 26 68.296 68.296 69.552 -1.256 18514
4544 1 17 . 1 1 19 19 THR H H 26 7.791 7.791 8.817 -1.026 18514
4545 1 17 . 1 1 20 20 THR N N 27 121.441 121.441 120.534 0.907 18514
4546 1 17 . 1 1 20 20 THR HA H 27 3.976 3.976 3.931 0.045 18514
4547 1 17 . 1 1 20 20 THR C C 27 175.121 175.121 175.706 -0.585 18514
4548 1 17 . 1 1 20 20 THR CA C 27 68.900 68.900 66.572 2.328 18514
4549 1 17 . 1 1 20 20 THR CB C 27 65.100 65.100 68.371 -3.271 18514
4550 1 17 . 1 1 20 20 THR H H 27 7.370 7.370 8.436 -1.066 18514
4551 1 17 . 1 1 21 21 CYS N N 28 121.174 121.174 116.487 4.687 18514
4552 1 17 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.481 -0.471 18514
4553 1 17 . 1 1 21 21 CYS C C 28 174.930 174.930 175.092 -0.162 18514
4554 1 17 . 1 1 21 21 CYS CA C 28 59.809 59.809 59.195 0.614 18514
4555 1 17 . 1 1 21 21 CYS CB C 28 31.757 31.757 25.809 5.948 18514
4556 1 17 . 1 1 21 21 CYS H H 28 9.321 9.321 8.456 0.865 18514
4557 1 17 . 1 1 22 22 ARG N N 29 115.643 115.643 119.445 -3.802 18514
4558 1 17 . 1 1 22 22 ARG HA H 29 3.223 3.223 3.892 -0.669 18514
4559 1 17 . 1 1 22 22 ARG C C 29 177.619 177.619 174.039 3.580 18514
4560 1 17 . 1 1 22 22 ARG CA C 29 52.830 52.830 55.586 -2.756 18514
4561 1 17 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.523 0.745 18514
4562 1 17 . 1 1 22 22 ARG H H 29 7.880 7.880 7.512 0.368 18514
4563 1 17 . 1 1 23 23 ASN N N 30 113.854 113.854 114.947 -1.093 18514
4564 1 17 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.542 0.044 18514
4565 1 17 . 1 1 23 23 ASN C C 30 174.972 174.972 176.210 -1.238 18514
4566 1 17 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.675 -0.199 18514
4567 1 17 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.955 0.398 18514
4568 1 17 . 1 1 23 23 ASN H H 30 6.816 6.816 7.138 -0.322 18514
4569 1 17 . 1 1 24 24 SER N N 31 113.788 113.788 115.466 -1.678 18514
4570 1 17 . 1 1 24 24 SER HA H 31 4.172 4.172 4.362 -0.190 18514
4571 1 17 . 1 1 24 24 SER C C 31 174.820 174.820 175.093 -0.273 18514
4572 1 17 . 1 1 24 24 SER CA C 31 61.080 61.080 61.014 0.066 18514
4573 1 17 . 1 1 24 24 SER CB C 31 63.425 63.425 62.662 0.763 18514
4574 1 17 . 1 1 24 24 SER H H 31 8.873 8.873 8.769 0.104 18514
4575 1 17 . 1 1 25 25 ARG N N 32 119.696 119.696 118.692 1.004 18514
4576 1 17 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.342 -0.135 18514
4577 1 17 . 1 1 25 25 ARG C C 32 175.482 175.482 176.542 -1.060 18514
4578 1 17 . 1 1 25 25 ARG CA C 32 57.018 57.018 56.380 0.638 18514
4579 1 17 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.664 -0.932 18514
4580 1 17 . 1 1 25 25 ARG H H 32 8.104 8.104 7.926 0.178 18514
4581 1 17 . 1 1 26 26 CYS N N 33 123.061 123.061 122.258 0.803 18514
4582 1 17 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.967 -0.280 18514
4583 1 17 . 1 1 26 26 CYS C C 33 173.064 173.064 173.866 -0.802 18514
4584 1 17 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.834 -0.134 18514
4585 1 17 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.239 3.715 18514
4586 1 17 . 1 1 26 26 CYS H H 33 7.766 7.766 7.892 -0.126 18514
4587 1 17 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.405 -0.113 18514
4588 1 17 . 1 1 27 27 PRO CA C 34 64.266 64.266 64.491 -0.225 18514
4589 1 17 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.232 0.926 18514
4590 1 17 . 1 1 28 28 CYS N N 35 129.050 129.050 115.998 13.052 18514
4591 1 17 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.373 -0.743 18514
4592 1 17 . 1 1 28 28 CYS C C 35 171.254 171.254 176.193 -4.939 18514
4593 1 17 . 1 1 28 28 CYS CA C 35 62.585 62.585 60.513 2.072 18514
4594 1 17 . 1 1 28 28 CYS CB C 35 29.247 29.247 27.066 2.181 18514
4595 1 17 . 1 1 28 28 CYS H H 35 8.368 8.368 7.851 0.517 18514
4596 1 17 . 1 1 29 29 TYR N N 36 124.364 124.364 121.788 2.576 18514
4597 1 17 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.065 -0.005 18514
4598 1 17 . 1 1 29 29 TYR C C 36 172.650 172.650 177.829 -5.179 18514
4599 1 17 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.290 0.831 18514
4600 1 17 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.629 -0.708 18514
4601 1 17 . 1 1 29 29 TYR H H 36 8.197 8.197 7.636 0.561 18514
4602 1 17 . 1 1 30 30 LYS N N 37 117.214 117.214 119.071 -1.857 18514
4603 1 17 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.712 0.067 18514
4604 1 17 . 1 1 30 30 LYS C C 37 172.650 172.650 176.676 -4.026 18514
4605 1 17 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.136 0.260 18514
4606 1 17 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.203 0.430 18514
4607 1 17 . 1 1 30 30 LYS H H 37 8.441 8.441 8.189 0.252 18514
4608 1 17 . 1 1 31 31 SER N N 38 109.671 109.671 112.324 -2.653 18514
4609 1 17 . 1 1 31 31 SER HA H 38 4.348 4.348 4.145 0.203 18514
4610 1 17 . 1 1 31 31 SER C C 38 173.566 173.566 173.702 -0.136 18514
4611 1 17 . 1 1 31 31 SER CA C 38 56.469 56.469 57.728 -1.259 18514
4612 1 17 . 1 1 31 31 SER CB C 38 63.461 63.461 63.310 0.151 18514
4613 1 17 . 1 1 31 31 SER H H 38 7.180 7.180 7.102 0.078 18514
4614 1 17 . 1 1 32 32 TYR N N 39 116.096 116.096 114.983 1.113 18514
4615 1 17 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.119 -0.032 18514
4616 1 17 . 1 1 32 32 TYR C C 39 176.728 176.728 174.239 2.489 18514
4617 1 17 . 1 1 32 32 TYR CA C 39 58.616 58.616 58.936 -0.320 18514
4618 1 17 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.621 -0.071 18514
4619 1 17 . 1 1 32 32 TYR H H 39 7.410 7.410 7.215 0.195 18514
4620 1 17 . 1 1 33 33 ASN N N 40 116.549 116.549 116.911 -0.362 18514
4621 1 17 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.911 0.092 18514
4622 1 17 . 1 1 33 33 ASN C C 40 176.083 176.083 174.521 1.562 18514
4623 1 17 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.372 -0.228 18514
4624 1 17 . 1 1 33 33 ASN CB C 40 43.554 43.554 40.707 2.847 18514
4625 1 17 . 1 1 33 33 ASN H H 40 8.257 8.257 7.871 0.386 18514
4626 1 17 . 1 1 34 34 SER N N 41 115.071 115.071 114.810 0.261 18514
4627 1 17 . 1 1 34 34 SER HA H 41 4.477 4.477 4.793 -0.316 18514
4628 1 17 . 1 1 34 34 SER C C 41 174.850 174.850 175.079 -0.229 18514
4629 1 17 . 1 1 34 34 SER CA C 41 57.625 57.625 57.825 -0.200 18514
4630 1 17 . 1 1 34 34 SER CB C 41 65.000 65.000 64.708 0.292 18514
4631 1 17 . 1 1 34 34 SER H H 41 8.720 8.720 8.430 0.290 18514
4632 1 17 . 1 1 35 35 CYS N N 42 115.950 115.950 122.973 -7.023 18514
4633 1 17 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.611 1.069 18514
4634 1 17 . 1 1 35 35 CYS C C 42 174.850 174.850 174.895 -0.045 18514
4635 1 17 . 1 1 35 35 CYS CA C 42 59.784 59.784 59.023 0.761 18514
4636 1 17 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.528 7.420 18514
4637 1 17 . 1 1 35 35 CYS H H 42 8.696 8.696 9.126 -0.430 18514
4638 1 17 . 1 1 36 36 ALA N N 43 124.417 124.417 126.863 -2.446 18514
4639 1 17 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.484 -0.267 18514
4640 1 17 . 1 1 36 36 ALA C C 43 173.572 173.572 177.388 -3.816 18514
4641 1 17 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.653 2.676 18514
4642 1 17 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.855 -1.020 18514
4643 1 17 . 1 1 36 36 ALA H H 43 8.002 8.002 7.923 0.078 18514
4644 1 17 . 1 1 37 37 GLY N N 44 113.524 113.524 111.899 1.625 18514
4645 1 17 . 1 1 37 37 GLY C C 44 170.263 170.263 174.087 -3.824 18514
4646 1 17 . 1 1 37 37 GLY CA C 44 45.717 45.717 45.053 0.664 18514
4647 1 17 . 1 1 37 37 GLY H H 44 8.932 8.932 8.616 0.316 18514
4648 1 17 . 1 1 38 38 CYS N N 45 120.184 120.184 118.605 1.579 18514
4649 1 17 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.599 -0.523 18514
4650 1 17 . 1 1 38 38 CYS C C 45 170.263 170.263 175.656 -5.393 18514
4651 1 17 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.737 3.149 18514
4652 1 17 . 1 1 38 38 CYS CB C 45 33.622 33.622 28.232 5.390 18514
4653 1 17 . 1 1 38 38 CYS H H 45 7.641 7.641 7.880 -0.239 18514
4654 1 17 . 1 1 39 39 HIS N N 46 118.156 118.156 119.508 -1.352 18514
4655 1 17 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.686 0.364 18514
4656 1 17 . 1 1 39 39 HIS C C 46 174.223 174.223 175.152 -0.929 18514
4657 1 17 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.427 -0.938 18514
4658 1 17 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.281 0.407 18514
4659 1 17 . 1 1 39 39 HIS H H 46 8.234 8.234 8.667 -0.433 18514
4660 1 17 . 1 1 40 40 CYS N N 47 118.354 118.354 116.551 1.803 18514
4661 1 17 . 1 1 40 40 CYS HA H 47 4.822 4.822 5.003 -0.181 18514
4662 1 17 . 1 1 40 40 CYS C C 47 176.296 176.296 174.806 1.490 18514
4663 1 17 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.759 -1.163 18514
4664 1 17 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.805 5.433 18514
4665 1 17 . 1 1 40 40 CYS H H 47 7.403 7.403 7.865 -0.462 18514
4666 1 17 . 1 1 41 41 VAL N N 48 118.968 118.968 123.994 -5.026 18514
4667 1 17 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.264 -0.033 18514
4668 1 17 . 1 1 41 41 VAL C C 48 174.265 174.265 176.345 -2.080 18514
4669 1 17 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.552 -0.321 18514
4670 1 17 . 1 1 41 41 VAL CB C 48 34.698 34.698 34.235 0.463 18514
4671 1 17 . 1 1 41 41 VAL H H 48 8.205 8.205 8.709 -0.504 18514
4672 1 17 . 1 1 42 42 GLY N N 49 115.726 115.726 113.602 2.124 18514
4673 1 17 . 1 1 42 42 GLY C C 49 174.223 174.223 173.681 0.542 18514
4674 1 17 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.345 0.768 18514
4675 1 17 . 1 1 42 42 GLY H H 49 8.634 8.634 8.645 -0.011 18514
4676 1 17 . 1 1 43 43 CYS N N 50 119.917 119.917 119.408 0.509 18514
4677 1 17 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.510 -1.353 18514
4678 1 17 . 1 1 43 43 CYS C C 50 173.428 173.428 174.613 -1.185 18514
4679 1 17 . 1 1 43 43 CYS CA C 50 63.346 63.346 57.805 5.541 18514
4680 1 17 . 1 1 43 43 CYS CB C 50 33.126 33.126 27.565 5.561 18514
4681 1 17 . 1 1 43 43 CYS H H 50 7.670 7.670 8.270 -0.600 18514
4682 1 17 . 1 1 44 44 LYS N N 51 128.057 128.057 129.250 -1.193 18514
4683 1 17 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.368 0.230 18514
4684 1 17 . 1 1 44 44 LYS C C 51 171.776 171.776 174.810 -3.034 18514
4685 1 17 . 1 1 44 44 LYS CA C 51 54.036 54.036 55.429 -1.393 18514
4686 1 17 . 1 1 44 44 LYS CB C 51 31.725 31.725 33.292 -1.567 18514
4687 1 17 . 1 1 44 44 LYS H H 51 7.934 7.934 8.465 -0.531 18514
4688 1 17 . 1 1 45 45 ASN N N 52 125.259 125.259 123.939 1.320 18514
4689 1 17 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.284 -0.517 18514
4690 1 17 . 1 1 45 45 ASN C C 52 171.776 171.776 174.028 -2.252 18514
4691 1 17 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.887 2.363 18514
4692 1 17 . 1 1 45 45 ASN CB C 52 39.520 39.520 40.426 -0.906 18514
4693 1 17 . 1 1 45 45 ASN H H 52 9.076 9.076 8.479 0.597 18514
4694 1 17 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.127 0.336 18514
4695 1 17 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.891 -0.760 18514
4696 1 17 . 1 1 46 46 PRO CB C 53 32.331 32.331 31.920 0.411 18514
4697 1 17 . 1 1 47 47 HIS N N 54 121.186 121.186 118.190 2.996 18514
4698 1 17 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.094 0.420 18514
4699 1 17 . 1 1 47 47 HIS C C 54 172.204 172.204 174.782 -2.578 18514
4700 1 17 . 1 1 47 47 HIS CA C 54 56.304 56.304 56.924 -0.620 18514
4701 1 17 . 1 1 47 47 HIS CB C 54 27.908 27.908 30.136 -2.228 18514
4702 1 17 . 1 1 47 47 HIS H H 54 8.236 8.236 8.671 -0.435 18514
4703 1 17 . 1 1 48 48 LYS N N 55 123.556 123.556 122.855 0.701 18514
4704 1 17 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.530 -0.069 18514
4705 1 17 . 1 1 48 48 LYS C C 55 175.066 175.066 176.268 -1.202 18514
4706 1 17 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.121 1.199 18514
4707 1 17 . 1 1 48 48 LYS CB C 55 34.106 34.106 34.597 -0.491 18514
4708 1 17 . 1 1 48 48 LYS H H 55 8.470 8.470 8.328 0.142 18514
4709 1 17 . 1 1 49 49 GLU N N 56 121.100 121.100 121.498 -0.398 18514
4710 1 17 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.146 0.205 18514
4711 1 17 . 1 1 49 49 GLU C C 56 173.210 173.210 176.698 -3.488 18514
4712 1 17 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.948 -0.585 18514
4713 1 17 . 1 1 49 49 GLU CB C 56 30.623 30.623 28.520 2.103 18514
4714 1 17 . 1 1 49 49 GLU H H 56 8.523 8.523 8.460 0.063 18514
4715 1 17 . 1 1 50 50 ASP N N 57 121.579 121.579 124.688 -3.109 18514
4716 1 17 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.400 0.269 18514
4717 1 17 . 1 1 50 50 ASP C C 57 173.845 173.845 174.226 -0.381 18514
4718 1 17 . 1 1 50 50 ASP CA C 57 54.291 54.291 55.308 -1.017 18514
4719 1 17 . 1 1 50 50 ASP CB C 57 41.452 41.452 41.263 0.189 18514
4720 1 17 . 1 1 50 50 ASP H H 57 8.396 8.396 8.321 0.075 18514
4721 1 17 . 1 1 51 51 TYR N N 58 120.844 120.844 124.092 -3.248 18514
4722 1 17 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.786 -0.269 18514
4723 1 17 . 1 1 51 51 TYR C C 58 173.968 173.968 173.286 0.682 18514
4724 1 17 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.895 -0.099 18514
4725 1 17 . 1 1 51 51 TYR CB C 58 38.958 38.958 39.305 -0.347 18514
4726 1 17 . 1 1 51 51 TYR H H 58 8.176 8.176 8.342 -0.166 18514
4727 1 18 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.746 0.037 18514
4728 1 18 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.244 -0.437 18514
4729 1 18 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.494 -0.703 18514
4730 1 18 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.530 -0.127 18514
4731 1 18 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.700 0.034 18514
4732 1 18 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.450 -0.562 18514
4733 1 18 . 1 1 4 4 LYS N N 11 124.307 124.307 122.530 1.777 18514
4734 1 18 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.577 -0.062 18514
4735 1 18 . 1 1 4 4 LYS C C 11 173.272 173.272 174.897 -1.625 18514
4736 1 18 . 1 1 4 4 LYS CA C 11 54.281 54.281 54.303 -0.022 18514
4737 1 18 . 1 1 4 4 LYS CB C 11 31.920 31.920 31.953 -0.033 18514
4738 1 18 . 1 1 4 4 LYS H H 11 8.380 8.380 8.139 0.241 18514
4739 1 18 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.320 0.116 18514
4740 1 18 . 1 1 5 5 PRO C C 12 127.380 127.380 175.694 -48.314 18514
4741 1 18 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.849 -0.056 18514
4742 1 18 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.158 -0.076 18514
4743 1 18 . 1 1 6 6 LYS N N 13 118.851 118.851 118.858 -0.007 18514
4744 1 18 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.645 0.502 18514
4745 1 18 . 1 1 6 6 LYS C C 13 173.408 173.408 175.598 -2.190 18514
4746 1 18 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.429 0.028 18514
4747 1 18 . 1 1 6 6 LYS CB C 13 34.841 34.841 35.370 -0.529 18514
4748 1 18 . 1 1 6 6 LYS H H 13 8.064 8.064 8.142 -0.078 18514
4749 1 18 . 1 1 7 7 CYS N N 14 127.385 127.385 117.182 10.203 18514
4750 1 18 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.787 0.441 18514
4751 1 18 . 1 1 7 7 CYS C C 14 173.408 173.408 174.457 -1.049 18514
4752 1 18 . 1 1 7 7 CYS CA C 14 56.592 56.592 57.319 -0.727 18514
4753 1 18 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.492 3.369 18514
4754 1 18 . 1 1 7 7 CYS H H 14 9.943 9.943 8.606 1.337 18514
4755 1 18 . 1 1 8 8 ARG N N 15 117.940 117.940 120.215 -2.275 18514
4756 1 18 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.668 -0.322 18514
4757 1 18 . 1 1 8 8 ARG C C 15 175.808 175.808 175.831 -0.023 18514
4758 1 18 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.133 -0.762 18514
4759 1 18 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.259 0.472 18514
4760 1 18 . 1 1 8 8 ARG H H 15 8.835 8.835 8.545 0.290 18514
4761 1 18 . 1 1 9 9 CYS N N 16 122.323 122.323 117.641 4.682 18514
4762 1 18 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.463 -0.439 18514
4763 1 18 . 1 1 9 9 CYS C C 16 174.360 174.360 176.489 -2.129 18514
4764 1 18 . 1 1 9 9 CYS CA C 16 60.239 60.239 61.243 -1.004 18514
4765 1 18 . 1 1 9 9 CYS CB C 16 32.451 32.451 26.530 5.921 18514
4766 1 18 . 1 1 9 9 CYS H H 16 7.433 7.433 8.302 -0.869 18514
4767 1 18 . 1 1 10 10 GLY N N 17 108.065 108.065 113.573 -5.508 18514
4768 1 18 . 1 1 10 10 GLY C C 17 174.518 174.518 175.302 -0.784 18514
4769 1 18 . 1 1 10 10 GLY CA C 17 45.560 45.560 46.391 -0.831 18514
4770 1 18 . 1 1 10 10 GLY H H 17 8.788 8.788 8.560 0.228 18514
4771 1 18 . 1 1 11 11 ILE N N 18 118.990 118.990 121.313 -2.323 18514
4772 1 18 . 1 1 11 11 ILE HA H 18 3.977 3.977 3.927 0.050 18514
4773 1 18 . 1 1 11 11 ILE C C 18 173.820 173.820 177.172 -3.352 18514
4774 1 18 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.190 0.400 18514
4775 1 18 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.360 0.364 18514
4776 1 18 . 1 1 11 11 ILE H H 18 7.557 7.557 7.655 -0.098 18514
4777 1 18 . 1 1 12 12 SER N N 19 116.128 116.128 115.241 0.887 18514
4778 1 18 . 1 1 12 12 SER HA H 19 4.510 4.510 4.313 0.197 18514
4779 1 18 . 1 1 12 12 SER C C 19 172.948 172.948 175.260 -2.312 18514
4780 1 18 . 1 1 12 12 SER CA C 19 58.200 58.200 59.694 -1.494 18514
4781 1 18 . 1 1 12 12 SER CB C 19 63.800 63.800 63.928 -0.128 18514
4782 1 18 . 1 1 12 12 SER H H 19 8.418 8.418 7.736 0.682 18514
4783 1 18 . 1 1 13 13 GLY N N 20 110.984 110.984 109.045 1.939 18514
4784 1 18 . 1 1 13 13 GLY C C 20 172.948 172.948 172.716 0.232 18514
4785 1 18 . 1 1 13 13 GLY CA C 20 45.398 45.398 44.592 0.806 18514
4786 1 18 . 1 1 13 13 GLY H H 20 8.243 8.243 8.018 0.225 18514
4787 1 18 . 1 1 14 14 SER N N 21 114.951 114.951 115.449 -0.498 18514
4788 1 18 . 1 1 14 14 SER HA H 21 4.535 4.535 4.812 -0.277 18514
4789 1 18 . 1 1 14 14 SER C C 21 175.376 175.376 175.142 0.234 18514
4790 1 18 . 1 1 14 14 SER CA C 21 57.930 57.930 57.245 0.685 18514
4791 1 18 . 1 1 14 14 SER CB C 21 64.080 64.080 63.930 0.150 18514
4792 1 18 . 1 1 14 14 SER H H 21 8.250 8.250 8.494 -0.244 18514
4793 1 18 . 1 1 15 15 SER N N 22 118.334 118.334 116.230 2.104 18514
4794 1 18 . 1 1 15 15 SER HA H 22 4.449 4.449 4.328 0.121 18514
4795 1 18 . 1 1 15 15 SER C C 22 174.863 174.863 174.806 0.057 18514
4796 1 18 . 1 1 15 15 SER CA C 22 57.767 57.767 59.858 -2.091 18514
4797 1 18 . 1 1 15 15 SER CB C 22 63.598 63.598 63.363 0.235 18514
4798 1 18 . 1 1 15 15 SER H H 22 8.427 8.427 8.207 0.220 18514
4799 1 18 . 1 1 16 16 ASN N N 23 120.784 120.784 119.245 1.539 18514
4800 1 18 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.859 -0.049 18514
4801 1 18 . 1 1 16 16 ASN C C 23 175.364 175.364 175.539 -0.175 18514
4802 1 18 . 1 1 16 16 ASN CA C 23 53.174 53.174 52.868 0.306 18514
4803 1 18 . 1 1 16 16 ASN CB C 23 38.467 38.467 39.864 -1.397 18514
4804 1 18 . 1 1 16 16 ASN H H 23 8.453 8.453 7.952 0.501 18514
4805 1 18 . 1 1 17 17 THR N N 24 115.660 115.660 113.962 1.698 18514
4806 1 18 . 1 1 17 17 THR HA H 24 4.346 4.346 4.370 -0.024 18514
4807 1 18 . 1 1 17 17 THR C C 24 173.428 173.428 174.975 -1.547 18514
4808 1 18 . 1 1 17 17 THR CA C 24 62.126 62.126 64.079 -1.953 18514
4809 1 18 . 1 1 17 17 THR CB C 24 68.777 68.777 69.664 -0.887 18514
4810 1 18 . 1 1 17 17 THR H H 24 8.417 8.417 8.649 -0.232 18514
4811 1 18 . 1 1 18 18 LEU N N 25 121.190 121.190 119.716 1.474 18514
4812 1 18 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.478 -0.184 18514
4813 1 18 . 1 1 18 18 LEU C C 25 173.951 173.951 176.328 -2.377 18514
4814 1 18 . 1 1 18 18 LEU CA C 25 56.248 56.248 55.926 0.322 18514
4815 1 18 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.539 -0.232 18514
4816 1 18 . 1 1 18 18 LEU H H 25 8.218 8.218 7.915 0.303 18514
4817 1 18 . 1 1 19 19 THR N N 26 106.988 106.988 108.958 -1.970 18514
4818 1 18 . 1 1 19 19 THR HA H 26 4.230 4.230 4.233 -0.003 18514
4819 1 18 . 1 1 19 19 THR C C 26 171.429 171.429 175.638 -4.209 18514
4820 1 18 . 1 1 19 19 THR CA C 26 60.631 60.631 62.104 -1.473 18514
4821 1 18 . 1 1 19 19 THR CB C 26 68.296 68.296 68.387 -0.091 18514
4822 1 18 . 1 1 19 19 THR H H 26 7.791 7.791 7.987 -0.196 18514
4823 1 18 . 1 1 20 20 THR N N 27 121.441 121.441 119.238 2.203 18514
4824 1 18 . 1 1 20 20 THR HA H 27 3.976 3.976 3.984 -0.008 18514
4825 1 18 . 1 1 20 20 THR C C 27 175.121 175.121 176.019 -0.898 18514
4826 1 18 . 1 1 20 20 THR CA C 27 68.900 68.900 65.660 3.240 18514
4827 1 18 . 1 1 20 20 THR CB C 27 65.100 65.100 68.148 -3.048 18514
4828 1 18 . 1 1 20 20 THR H H 27 7.370 7.370 8.420 -1.050 18514
4829 1 18 . 1 1 21 21 CYS N N 28 121.174 121.174 116.991 4.183 18514
4830 1 18 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.578 -0.568 18514
4831 1 18 . 1 1 21 21 CYS C C 28 174.930 174.930 176.144 -1.214 18514
4832 1 18 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.763 1.046 18514
4833 1 18 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.284 5.473 18514
4834 1 18 . 1 1 21 21 CYS H H 28 9.321 9.321 8.331 0.990 18514
4835 1 18 . 1 1 22 22 ARG N N 29 115.643 115.643 119.042 -3.399 18514
4836 1 18 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.079 -0.856 18514
4837 1 18 . 1 1 22 22 ARG C C 29 177.619 177.619 174.941 2.678 18514
4838 1 18 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.443 -3.613 18514
4839 1 18 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.351 0.917 18514
4840 1 18 . 1 1 22 22 ARG H H 29 7.880 7.880 8.321 -0.441 18514
4841 1 18 . 1 1 23 23 ASN N N 30 113.854 113.854 116.308 -2.454 18514
4842 1 18 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.603 -0.017 18514
4843 1 18 . 1 1 23 23 ASN C C 30 174.972 174.972 175.735 -0.763 18514
4844 1 18 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.551 -0.075 18514
4845 1 18 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.415 0.938 18514
4846 1 18 . 1 1 23 23 ASN H H 30 6.816 6.816 7.469 -0.653 18514
4847 1 18 . 1 1 24 24 SER N N 31 113.788 113.788 114.280 -0.492 18514
4848 1 18 . 1 1 24 24 SER HA H 31 4.172 4.172 4.414 -0.242 18514
4849 1 18 . 1 1 24 24 SER C C 31 174.820 174.820 174.670 0.150 18514
4850 1 18 . 1 1 24 24 SER CA C 31 61.080 61.080 61.138 -0.058 18514
4851 1 18 . 1 1 24 24 SER CB C 31 63.425 63.425 62.665 0.760 18514
4852 1 18 . 1 1 24 24 SER H H 31 8.873 8.873 8.725 0.148 18514
4853 1 18 . 1 1 25 25 ARG N N 32 119.696 119.696 118.190 1.506 18514
4854 1 18 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.459 -0.252 18514
4855 1 18 . 1 1 25 25 ARG C C 32 175.482 175.482 176.033 -0.551 18514
4856 1 18 . 1 1 25 25 ARG CA C 32 57.018 57.018 54.612 2.406 18514
4857 1 18 . 1 1 25 25 ARG CB C 32 29.732 29.732 29.882 -0.150 18514
4858 1 18 . 1 1 25 25 ARG H H 32 8.104 8.104 8.057 0.047 18514
4859 1 18 . 1 1 26 26 CYS N N 33 123.061 123.061 123.274 -0.213 18514
4860 1 18 . 1 1 26 26 CYS HA H 33 4.687 4.687 5.008 -0.321 18514
4861 1 18 . 1 1 26 26 CYS C C 33 173.064 173.064 173.977 -0.913 18514
4862 1 18 . 1 1 26 26 CYS CA C 33 55.700 55.700 56.217 -0.517 18514
4863 1 18 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.317 3.637 18514
4864 1 18 . 1 1 26 26 CYS H H 33 7.766 7.766 7.977 -0.211 18514
4865 1 18 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.331 -0.039 18514
4866 1 18 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.246 -0.980 18514
4867 1 18 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.559 0.599 18514
4868 1 18 . 1 1 28 28 CYS N N 35 129.050 129.050 115.820 13.230 18514
4869 1 18 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.244 -0.614 18514
4870 1 18 . 1 1 28 28 CYS C C 35 171.254 171.254 176.702 -5.448 18514
4871 1 18 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.308 -0.723 18514
4872 1 18 . 1 1 28 28 CYS CB C 35 29.247 29.247 26.205 3.042 18514
4873 1 18 . 1 1 28 28 CYS H H 35 8.368 8.368 7.939 0.429 18514
4874 1 18 . 1 1 29 29 TYR N N 36 124.364 124.364 122.091 2.273 18514
4875 1 18 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.030 0.030 18514
4876 1 18 . 1 1 29 29 TYR C C 36 172.650 172.650 177.879 -5.229 18514
4877 1 18 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.599 0.522 18514
4878 1 18 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.313 -0.392 18514
4879 1 18 . 1 1 29 29 TYR H H 36 8.197 8.197 7.950 0.247 18514
4880 1 18 . 1 1 30 30 LYS N N 37 117.214 117.214 117.544 -0.330 18514
4881 1 18 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.888 -0.109 18514
4882 1 18 . 1 1 30 30 LYS C C 37 172.650 172.650 176.832 -4.182 18514
4883 1 18 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.180 0.216 18514
4884 1 18 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.427 0.205 18514
4885 1 18 . 1 1 30 30 LYS H H 37 8.441 8.441 7.878 0.563 18514
4886 1 18 . 1 1 31 31 SER N N 38 109.671 109.671 113.561 -3.890 18514
4887 1 18 . 1 1 31 31 SER HA H 38 4.348 4.348 4.489 -0.141 18514
4888 1 18 . 1 1 31 31 SER C C 38 173.566 173.566 173.448 0.118 18514
4889 1 18 . 1 1 31 31 SER CA C 38 56.469 56.469 58.176 -1.707 18514
4890 1 18 . 1 1 31 31 SER CB C 38 63.461 63.461 63.856 -0.395 18514
4891 1 18 . 1 1 31 31 SER H H 38 7.180 7.180 7.439 -0.259 18514
4892 1 18 . 1 1 32 32 TYR N N 39 116.096 116.096 115.445 0.651 18514
4893 1 18 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.639 -0.552 18514
4894 1 18 . 1 1 32 32 TYR C C 39 176.728 176.728 173.786 2.942 18514
4895 1 18 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.357 -0.741 18514
4896 1 18 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.845 -0.295 18514
4897 1 18 . 1 1 32 32 TYR H H 39 7.410 7.410 7.292 0.118 18514
4898 1 18 . 1 1 33 33 ASN N N 40 116.549 116.549 116.692 -0.143 18514
4899 1 18 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.906 0.097 18514
4900 1 18 . 1 1 33 33 ASN C C 40 176.083 176.083 174.008 2.075 18514
4901 1 18 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.431 -0.287 18514
4902 1 18 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.834 1.720 18514
4903 1 18 . 1 1 33 33 ASN H H 40 8.257 8.257 7.864 0.393 18514
4904 1 18 . 1 1 34 34 SER N N 41 115.071 115.071 115.354 -0.283 18514
4905 1 18 . 1 1 34 34 SER HA H 41 4.477 4.477 5.235 -0.758 18514
4906 1 18 . 1 1 34 34 SER C C 41 174.850 174.850 174.919 -0.069 18514
4907 1 18 . 1 1 34 34 SER CA C 41 57.625 57.625 57.655 -0.030 18514
4908 1 18 . 1 1 34 34 SER CB C 41 65.000 65.000 65.112 -0.112 18514
4909 1 18 . 1 1 34 34 SER H H 41 8.720 8.720 8.544 0.176 18514
4910 1 18 . 1 1 35 35 CYS N N 42 115.950 115.950 119.112 -3.162 18514
4911 1 18 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.859 0.821 18514
4912 1 18 . 1 1 35 35 CYS C C 42 174.850 174.850 174.874 -0.024 18514
4913 1 18 . 1 1 35 35 CYS CA C 42 59.784 59.784 57.826 1.958 18514
4914 1 18 . 1 1 35 35 CYS CB C 42 31.948 31.948 25.895 6.053 18514
4915 1 18 . 1 1 35 35 CYS H H 42 8.696 8.696 9.012 -0.316 18514
4916 1 18 . 1 1 36 36 ALA N N 43 124.417 124.417 123.894 0.523 18514
4917 1 18 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.263 -0.046 18514
4918 1 18 . 1 1 36 36 ALA C C 43 173.572 173.572 177.148 -3.576 18514
4919 1 18 . 1 1 36 36 ALA CA C 43 54.329 54.329 52.813 1.516 18514
4920 1 18 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.279 -0.444 18514
4921 1 18 . 1 1 36 36 ALA H H 43 8.002 8.002 7.636 0.366 18514
4922 1 18 . 1 1 37 37 GLY N N 44 113.524 113.524 110.479 3.045 18514
4923 1 18 . 1 1 37 37 GLY C C 44 170.263 170.263 174.854 -4.591 18514
4924 1 18 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.867 0.850 18514
4925 1 18 . 1 1 37 37 GLY H H 44 8.932 8.932 8.519 0.413 18514
4926 1 18 . 1 1 38 38 CYS N N 45 120.184 120.184 119.450 0.734 18514
4927 1 18 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.590 -0.514 18514
4928 1 18 . 1 1 38 38 CYS C C 45 170.263 170.263 175.010 -4.747 18514
4929 1 18 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.887 2.999 18514
4930 1 18 . 1 1 38 38 CYS CB C 45 33.622 33.622 28.655 4.967 18514
4931 1 18 . 1 1 38 38 CYS H H 45 7.641 7.641 7.614 0.027 18514
4932 1 18 . 1 1 39 39 HIS N N 46 118.156 118.156 117.330 0.826 18514
4933 1 18 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.736 0.314 18514
4934 1 18 . 1 1 39 39 HIS C C 46 174.223 174.223 175.321 -1.098 18514
4935 1 18 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.479 -0.990 18514
4936 1 18 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.528 0.160 18514
4937 1 18 . 1 1 39 39 HIS H H 46 8.234 8.234 8.456 -0.222 18514
4938 1 18 . 1 1 40 40 CYS N N 47 118.354 118.354 117.843 0.511 18514
4939 1 18 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.878 -0.056 18514
4940 1 18 . 1 1 40 40 CYS C C 47 176.296 176.296 174.572 1.724 18514
4941 1 18 . 1 1 40 40 CYS CA C 47 55.596 55.596 57.626 -2.030 18514
4942 1 18 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.763 5.475 18514
4943 1 18 . 1 1 40 40 CYS H H 47 7.403 7.403 7.990 -0.587 18514
4944 1 18 . 1 1 41 41 VAL N N 48 118.968 118.968 123.802 -4.834 18514
4945 1 18 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.306 -0.075 18514
4946 1 18 . 1 1 41 41 VAL C C 48 174.265 174.265 176.436 -2.171 18514
4947 1 18 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.568 -0.337 18514
4948 1 18 . 1 1 41 41 VAL CB C 48 34.698 34.698 33.222 1.476 18514
4949 1 18 . 1 1 41 41 VAL H H 48 8.205 8.205 8.961 -0.756 18514
4950 1 18 . 1 1 42 42 GLY N N 49 115.726 115.726 114.726 1.000 18514
4951 1 18 . 1 1 42 42 GLY C C 49 174.223 174.223 173.807 0.416 18514
4952 1 18 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.353 0.760 18514
4953 1 18 . 1 1 42 42 GLY H H 49 8.634 8.634 8.674 -0.040 18514
4954 1 18 . 1 1 43 43 CYS N N 50 119.917 119.917 119.715 0.202 18514
4955 1 18 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.477 -1.320 18514
4956 1 18 . 1 1 43 43 CYS C C 50 173.428 173.428 174.869 -1.441 18514
4957 1 18 . 1 1 43 43 CYS CA C 50 63.346 63.346 57.880 5.466 18514
4958 1 18 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.671 6.455 18514
4959 1 18 . 1 1 43 43 CYS H H 50 7.670 7.670 8.325 -0.655 18514
4960 1 18 . 1 1 44 44 LYS N N 51 128.057 128.057 130.346 -2.289 18514
4961 1 18 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.414 0.184 18514
4962 1 18 . 1 1 44 44 LYS C C 51 171.776 171.776 174.893 -3.117 18514
4963 1 18 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.871 -0.835 18514
4964 1 18 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.260 -0.535 18514
4965 1 18 . 1 1 44 44 LYS H H 51 7.934 7.934 8.386 -0.452 18514
4966 1 18 . 1 1 45 45 ASN N N 52 125.259 125.259 122.492 2.767 18514
4967 1 18 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.135 -0.368 18514
4968 1 18 . 1 1 45 45 ASN C C 52 171.776 171.776 174.120 -2.344 18514
4969 1 18 . 1 1 45 45 ASN CA C 52 52.250 52.250 50.031 2.219 18514
4970 1 18 . 1 1 45 45 ASN CB C 52 39.520 39.520 40.054 -0.534 18514
4971 1 18 . 1 1 45 45 ASN H H 52 9.076 9.076 8.179 0.897 18514
4972 1 18 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.395 0.068 18514
4973 1 18 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.696 -0.565 18514
4974 1 18 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.012 0.319 18514
4975 1 18 . 1 1 47 47 HIS N N 54 121.186 121.186 119.336 1.850 18514
4976 1 18 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.652 -0.138 18514
4977 1 18 . 1 1 47 47 HIS C C 54 172.204 172.204 174.227 -2.023 18514
4978 1 18 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.837 0.467 18514
4979 1 18 . 1 1 47 47 HIS CB C 54 27.908 27.908 31.267 -3.359 18514
4980 1 18 . 1 1 47 47 HIS H H 54 8.236 8.236 8.268 -0.032 18514
4981 1 18 . 1 1 48 48 LYS N N 55 123.556 123.556 122.621 0.935 18514
4982 1 18 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.461 0.000 18514
4983 1 18 . 1 1 48 48 LYS C C 55 175.066 175.066 177.141 -2.075 18514
4984 1 18 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.788 0.533 18514
4985 1 18 . 1 1 48 48 LYS CB C 55 34.106 34.106 33.767 0.339 18514
4986 1 18 . 1 1 48 48 LYS H H 55 8.470 8.470 8.671 -0.201 18514
4987 1 18 . 1 1 49 49 GLU N N 56 121.100 121.100 124.614 -3.514 18514
4988 1 18 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.105 0.246 18514
4989 1 18 . 1 1 49 49 GLU C C 56 173.210 173.210 176.613 -3.403 18514
4990 1 18 . 1 1 49 49 GLU CA C 56 56.363 56.363 57.367 -1.004 18514
4991 1 18 . 1 1 49 49 GLU CB C 56 30.623 30.623 28.927 1.696 18514
4992 1 18 . 1 1 49 49 GLU H H 56 8.523 8.523 8.787 -0.264 18514
4993 1 18 . 1 1 50 50 ASP N N 57 121.579 121.579 126.309 -4.730 18514
4994 1 18 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.612 0.057 18514
4995 1 18 . 1 1 50 50 ASP C C 57 173.845 173.845 175.187 -1.342 18514
4996 1 18 . 1 1 50 50 ASP CA C 57 54.291 54.291 55.012 -0.721 18514
4997 1 18 . 1 1 50 50 ASP CB C 57 41.452 41.452 40.422 1.030 18514
4998 1 18 . 1 1 50 50 ASP H H 57 8.396 8.396 8.743 -0.347 18514
4999 1 18 . 1 1 51 51 TYR N N 58 120.844 120.844 124.384 -3.540 18514
5000 1 18 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.719 -0.202 18514
5001 1 18 . 1 1 51 51 TYR C C 58 173.968 173.968 173.990 -0.022 18514
5002 1 18 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.977 -0.181 18514
5003 1 18 . 1 1 51 51 TYR CB C 58 38.958 38.958 39.453 -0.495 18514
5004 1 18 . 1 1 51 51 TYR H H 58 8.176 8.176 8.330 -0.154 18514
5005 1 19 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.777 0.006 18514
5006 1 19 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.148 -0.341 18514
5007 1 19 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.696 -0.905 18514
5008 1 19 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.513 -0.110 18514
5009 1 19 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.946 -0.212 18514
5010 1 19 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.273 -0.385 18514
5011 1 19 . 1 1 4 4 LYS N N 11 124.307 124.307 125.738 -1.431 18514
5012 1 19 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.629 -0.114 18514
5013 1 19 . 1 1 4 4 LYS C C 11 173.272 173.272 175.021 -1.749 18514
5014 1 19 . 1 1 4 4 LYS CA C 11 54.281 54.281 53.409 0.872 18514
5015 1 19 . 1 1 4 4 LYS CB C 11 31.920 31.920 31.896 0.024 18514
5016 1 19 . 1 1 4 4 LYS H H 11 8.380 8.380 8.160 0.220 18514
5017 1 19 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.350 0.086 18514
5018 1 19 . 1 1 5 5 PRO C C 12 127.380 127.380 175.791 -48.411 18514
5019 1 19 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.885 -0.091 18514
5020 1 19 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.123 -0.041 18514
5021 1 19 . 1 1 6 6 LYS N N 13 118.851 118.851 118.920 -0.069 18514
5022 1 19 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.728 0.419 18514
5023 1 19 . 1 1 6 6 LYS C C 13 173.408 173.408 175.477 -2.069 18514
5024 1 19 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.134 0.323 18514
5025 1 19 . 1 1 6 6 LYS CB C 13 34.841 34.841 35.121 -0.280 18514
5026 1 19 . 1 1 6 6 LYS H H 13 8.064 8.064 8.161 -0.097 18514
5027 1 19 . 1 1 7 7 CYS N N 14 127.385 127.385 117.820 9.565 18514
5028 1 19 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.879 0.349 18514
5029 1 19 . 1 1 7 7 CYS C C 14 173.408 173.408 174.183 -0.775 18514
5030 1 19 . 1 1 7 7 CYS CA C 14 56.592 56.592 57.387 -0.795 18514
5031 1 19 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.325 3.536 18514
5032 1 19 . 1 1 7 7 CYS H H 14 9.943 9.943 8.609 1.334 18514
5033 1 19 . 1 1 8 8 ARG N N 15 117.940 117.940 118.811 -0.871 18514
5034 1 19 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.768 -0.422 18514
5035 1 19 . 1 1 8 8 ARG C C 15 175.808 175.808 176.373 -0.565 18514
5036 1 19 . 1 1 8 8 ARG CA C 15 54.371 54.371 54.798 -0.427 18514
5037 1 19 . 1 1 8 8 ARG CB C 15 30.731 30.731 29.869 0.862 18514
5038 1 19 . 1 1 8 8 ARG H H 15 8.835 8.835 8.746 0.089 18514
5039 1 19 . 1 1 9 9 CYS N N 16 122.323 122.323 117.623 4.700 18514
5040 1 19 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.329 -0.305 18514
5041 1 19 . 1 1 9 9 CYS C C 16 174.360 174.360 176.141 -1.781 18514
5042 1 19 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.734 -0.495 18514
5043 1 19 . 1 1 9 9 CYS CB C 16 32.451 32.451 26.286 6.165 18514
5044 1 19 . 1 1 9 9 CYS H H 16 7.433 7.433 8.286 -0.853 18514
5045 1 19 . 1 1 10 10 GLY N N 17 108.065 108.065 114.582 -6.517 18514
5046 1 19 . 1 1 10 10 GLY C C 17 174.518 174.518 175.174 -0.656 18514
5047 1 19 . 1 1 10 10 GLY CA C 17 45.560 45.560 46.321 -0.761 18514
5048 1 19 . 1 1 10 10 GLY H H 17 8.788 8.788 8.831 -0.043 18514
5049 1 19 . 1 1 11 11 ILE N N 18 118.990 118.990 121.657 -2.667 18514
5050 1 19 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.137 -0.160 18514
5051 1 19 . 1 1 11 11 ILE C C 18 173.820 173.820 176.258 -2.438 18514
5052 1 19 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.225 0.365 18514
5053 1 19 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.933 -0.209 18514
5054 1 19 . 1 1 11 11 ILE H H 18 7.557 7.557 7.704 -0.147 18514
5055 1 19 . 1 1 12 12 SER N N 19 116.128 116.128 116.005 0.123 18514
5056 1 19 . 1 1 12 12 SER HA H 19 4.510 4.510 4.692 -0.182 18514
5057 1 19 . 1 1 12 12 SER C C 19 172.948 172.948 173.397 -0.449 18514
5058 1 19 . 1 1 12 12 SER CA C 19 58.200 58.200 57.712 0.488 18514
5059 1 19 . 1 1 12 12 SER CB C 19 63.800 63.800 64.279 -0.479 18514
5060 1 19 . 1 1 12 12 SER H H 19 8.418 8.418 8.002 0.416 18514
5061 1 19 . 1 1 13 13 GLY N N 20 110.984 110.984 111.421 -0.437 18514
5062 1 19 . 1 1 13 13 GLY C C 20 172.948 172.948 173.229 -0.281 18514
5063 1 19 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.020 0.378 18514
5064 1 19 . 1 1 13 13 GLY H H 20 8.243 8.243 8.193 0.050 18514
5065 1 19 . 1 1 14 14 SER N N 21 114.951 114.951 116.810 -1.859 18514
5066 1 19 . 1 1 14 14 SER HA H 21 4.535 4.535 4.462 0.073 18514
5067 1 19 . 1 1 14 14 SER C C 21 175.376 175.376 174.013 1.363 18514
5068 1 19 . 1 1 14 14 SER CA C 21 57.930 57.930 57.806 0.124 18514
5069 1 19 . 1 1 14 14 SER CB C 21 64.080 64.080 63.345 0.735 18514
5070 1 19 . 1 1 14 14 SER H H 21 8.250 8.250 8.190 0.060 18514
5071 1 19 . 1 1 15 15 SER N N 22 118.334 118.334 119.028 -0.694 18514
5072 1 19 . 1 1 15 15 SER HA H 22 4.449 4.449 4.529 -0.080 18514
5073 1 19 . 1 1 15 15 SER C C 22 174.863 174.863 172.732 2.131 18514
5074 1 19 . 1 1 15 15 SER CA C 22 57.767 57.767 57.469 0.298 18514
5075 1 19 . 1 1 15 15 SER CB C 22 63.598 63.598 63.768 -0.170 18514
5076 1 19 . 1 1 15 15 SER H H 22 8.427 8.427 8.178 0.249 18514
5077 1 19 . 1 1 16 16 ASN N N 23 120.784 120.784 118.223 2.561 18514
5078 1 19 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.449 0.361 18514
5079 1 19 . 1 1 16 16 ASN C C 23 175.364 175.364 175.740 -0.376 18514
5080 1 19 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.968 -0.794 18514
5081 1 19 . 1 1 16 16 ASN CB C 23 38.467 38.467 38.853 -0.387 18514
5082 1 19 . 1 1 16 16 ASN H H 23 8.453 8.453 8.112 0.341 18514
5083 1 19 . 1 1 17 17 THR N N 24 115.660 115.660 116.152 -0.492 18514
5084 1 19 . 1 1 17 17 THR HA H 24 4.346 4.346 4.177 0.169 18514
5085 1 19 . 1 1 17 17 THR C C 24 173.428 173.428 176.005 -2.577 18514
5086 1 19 . 1 1 17 17 THR CA C 24 62.126 62.126 64.940 -2.814 18514
5087 1 19 . 1 1 17 17 THR CB C 24 68.777 68.777 69.118 -0.341 18514
5088 1 19 . 1 1 17 17 THR H H 24 8.417 8.417 8.586 -0.169 18514
5089 1 19 . 1 1 18 18 LEU N N 25 121.190 121.190 119.771 1.419 18514
5090 1 19 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.301 -0.007 18514
5091 1 19 . 1 1 18 18 LEU C C 25 173.951 173.951 176.733 -2.782 18514
5092 1 19 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.309 -0.061 18514
5093 1 19 . 1 1 18 18 LEU CB C 25 42.307 42.307 41.894 0.413 18514
5094 1 19 . 1 1 18 18 LEU H H 25 8.218 8.218 7.744 0.474 18514
5095 1 19 . 1 1 19 19 THR N N 26 106.988 106.988 106.896 0.092 18514
5096 1 19 . 1 1 19 19 THR HA H 26 4.230 4.230 4.517 -0.287 18514
5097 1 19 . 1 1 19 19 THR C C 26 171.429 171.429 175.097 -3.668 18514
5098 1 19 . 1 1 19 19 THR CA C 26 60.631 60.631 60.938 -0.307 18514
5099 1 19 . 1 1 19 19 THR CB C 26 68.296 68.296 69.903 -1.607 18514
5100 1 19 . 1 1 19 19 THR H H 26 7.791 7.791 7.652 0.139 18514
5101 1 19 . 1 1 20 20 THR N N 27 121.441 121.441 119.416 2.025 18514
5102 1 19 . 1 1 20 20 THR HA H 27 3.976 3.976 4.017 -0.041 18514
5103 1 19 . 1 1 20 20 THR C C 27 175.121 175.121 176.119 -0.998 18514
5104 1 19 . 1 1 20 20 THR CA C 27 68.900 68.900 66.012 2.888 18514
5105 1 19 . 1 1 20 20 THR CB C 27 65.100 65.100 68.547 -3.447 18514
5106 1 19 . 1 1 20 20 THR H H 27 7.370 7.370 8.340 -0.970 18514
5107 1 19 . 1 1 21 21 CYS N N 28 121.174 121.174 117.580 3.594 18514
5108 1 19 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.530 -0.520 18514
5109 1 19 . 1 1 21 21 CYS C C 28 174.930 174.930 174.752 0.178 18514
5110 1 19 . 1 1 21 21 CYS CA C 28 59.809 59.809 59.002 0.807 18514
5111 1 19 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.061 5.696 18514
5112 1 19 . 1 1 21 21 CYS H H 28 9.321 9.321 8.154 1.167 18514
5113 1 19 . 1 1 22 22 ARG N N 29 115.643 115.643 116.968 -1.325 18514
5114 1 19 . 1 1 22 22 ARG HA H 29 3.223 3.223 3.886 -0.663 18514
5115 1 19 . 1 1 22 22 ARG C C 29 177.619 177.619 174.029 3.590 18514
5116 1 19 . 1 1 22 22 ARG CA C 29 52.830 52.830 55.768 -2.938 18514
5117 1 19 . 1 1 22 22 ARG CB C 29 31.268 31.268 29.767 1.501 18514
5118 1 19 . 1 1 22 22 ARG H H 29 7.880 7.880 8.055 -0.175 18514
5119 1 19 . 1 1 23 23 ASN N N 30 113.854 113.854 115.913 -2.059 18514
5120 1 19 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.605 -0.019 18514
5121 1 19 . 1 1 23 23 ASN C C 30 174.972 174.972 175.723 -0.751 18514
5122 1 19 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.492 -0.016 18514
5123 1 19 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.427 0.926 18514
5124 1 19 . 1 1 23 23 ASN H H 30 6.816 6.816 7.318 -0.502 18514
5125 1 19 . 1 1 24 24 SER N N 31 113.788 113.788 113.597 0.191 18514
5126 1 19 . 1 1 24 24 SER HA H 31 4.172 4.172 4.422 -0.250 18514
5127 1 19 . 1 1 24 24 SER C C 31 174.820 174.820 174.822 -0.002 18514
5128 1 19 . 1 1 24 24 SER CA C 31 61.080 61.080 60.880 0.200 18514
5129 1 19 . 1 1 24 24 SER CB C 31 63.425 63.425 62.683 0.742 18514
5130 1 19 . 1 1 24 24 SER H H 31 8.873 8.873 8.724 0.149 18514
5131 1 19 . 1 1 25 25 ARG N N 32 119.696 119.696 119.133 0.563 18514
5132 1 19 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.368 -0.161 18514
5133 1 19 . 1 1 25 25 ARG C C 32 175.482 175.482 175.975 -0.493 18514
5134 1 19 . 1 1 25 25 ARG CA C 32 57.018 57.018 56.499 0.519 18514
5135 1 19 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.813 -1.081 18514
5136 1 19 . 1 1 25 25 ARG H H 32 8.104 8.104 8.176 -0.072 18514
5137 1 19 . 1 1 26 26 CYS N N 33 123.061 123.061 122.488 0.573 18514
5138 1 19 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.925 -0.238 18514
5139 1 19 . 1 1 26 26 CYS C C 33 173.064 173.064 173.586 -0.522 18514
5140 1 19 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.661 0.039 18514
5141 1 19 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.107 3.847 18514
5142 1 19 . 1 1 26 26 CYS H H 33 7.766 7.766 7.642 0.124 18514
5143 1 19 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.323 -0.031 18514
5144 1 19 . 1 1 27 27 PRO CA C 34 64.266 64.266 64.911 -0.645 18514
5145 1 19 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.511 0.647 18514
5146 1 19 . 1 1 28 28 CYS N N 35 129.050 129.050 115.085 13.965 18514
5147 1 19 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.253 -0.623 18514
5148 1 19 . 1 1 28 28 CYS C C 35 171.254 171.254 176.665 -5.411 18514
5149 1 19 . 1 1 28 28 CYS CA C 35 62.585 62.585 62.707 -0.122 18514
5150 1 19 . 1 1 28 28 CYS CB C 35 29.247 29.247 26.288 2.959 18514
5151 1 19 . 1 1 28 28 CYS H H 35 8.368 8.368 7.927 0.441 18514
5152 1 19 . 1 1 29 29 TYR N N 36 124.364 124.364 121.720 2.644 18514
5153 1 19 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.130 -0.070 18514
5154 1 19 . 1 1 29 29 TYR C C 36 172.650 172.650 178.156 -5.506 18514
5155 1 19 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.464 0.657 18514
5156 1 19 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.373 -0.452 18514
5157 1 19 . 1 1 29 29 TYR H H 36 8.197 8.197 7.838 0.359 18514
5158 1 19 . 1 1 30 30 LYS N N 37 117.214 117.214 115.496 1.718 18514
5159 1 19 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.935 -0.156 18514
5160 1 19 . 1 1 30 30 LYS C C 37 172.650 172.650 176.468 -3.818 18514
5161 1 19 . 1 1 30 30 LYS CA C 37 58.396 58.396 57.101 1.295 18514
5162 1 19 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.028 0.605 18514
5163 1 19 . 1 1 30 30 LYS H H 37 8.441 8.441 7.862 0.579 18514
5164 1 19 . 1 1 31 31 SER N N 38 109.671 109.671 111.825 -2.154 18514
5165 1 19 . 1 1 31 31 SER HA H 38 4.348 4.348 4.474 -0.126 18514
5166 1 19 . 1 1 31 31 SER C C 38 173.566 173.566 174.392 -0.826 18514
5167 1 19 . 1 1 31 31 SER CA C 38 56.469 56.469 58.055 -1.586 18514
5168 1 19 . 1 1 31 31 SER CB C 38 63.461 63.461 64.003 -0.542 18514
5169 1 19 . 1 1 31 31 SER H H 38 7.180 7.180 7.443 -0.263 18514
5170 1 19 . 1 1 32 32 TYR N N 39 116.096 116.096 115.537 0.559 18514
5171 1 19 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.422 -0.335 18514
5172 1 19 . 1 1 32 32 TYR C C 39 176.728 176.728 173.760 2.968 18514
5173 1 19 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.348 -0.732 18514
5174 1 19 . 1 1 32 32 TYR CB C 39 34.550 34.550 35.059 -0.509 18514
5175 1 19 . 1 1 32 32 TYR H H 39 7.410 7.410 7.367 0.043 18514
5176 1 19 . 1 1 33 33 ASN N N 40 116.549 116.549 116.120 0.429 18514
5177 1 19 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.883 0.120 18514
5178 1 19 . 1 1 33 33 ASN C C 40 176.083 176.083 174.334 1.749 18514
5179 1 19 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.474 -0.329 18514
5180 1 19 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.532 2.022 18514
5181 1 19 . 1 1 33 33 ASN H H 40 8.257 8.257 7.675 0.582 18514
5182 1 19 . 1 1 34 34 SER N N 41 115.071 115.071 115.011 0.060 18514
5183 1 19 . 1 1 34 34 SER HA H 41 4.477 4.477 4.721 -0.244 18514
5184 1 19 . 1 1 34 34 SER C C 41 174.850 174.850 174.776 0.074 18514
5185 1 19 . 1 1 34 34 SER CA C 41 57.625 57.625 58.143 -0.518 18514
5186 1 19 . 1 1 34 34 SER CB C 41 65.000 65.000 64.480 0.520 18514
5187 1 19 . 1 1 34 34 SER H H 41 8.720 8.720 8.575 0.145 18514
5188 1 19 . 1 1 35 35 CYS N N 42 115.950 115.950 121.537 -5.587 18514
5189 1 19 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.716 0.964 18514
5190 1 19 . 1 1 35 35 CYS C C 42 174.850 174.850 174.594 0.256 18514
5191 1 19 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.444 1.339 18514
5192 1 19 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.852 7.096 18514
5193 1 19 . 1 1 35 35 CYS H H 42 8.696 8.696 9.041 -0.345 18514
5194 1 19 . 1 1 36 36 ALA N N 43 124.417 124.417 126.159 -1.742 18514
5195 1 19 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.490 -0.273 18514
5196 1 19 . 1 1 36 36 ALA C C 43 173.572 173.572 176.966 -3.394 18514
5197 1 19 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.530 2.799 18514
5198 1 19 . 1 1 36 36 ALA CB C 43 17.835 17.835 19.043 -1.208 18514
5199 1 19 . 1 1 36 36 ALA H H 43 8.002 8.002 7.648 0.354 18514
5200 1 19 . 1 1 37 37 GLY N N 44 113.524 113.524 111.164 2.360 18514
5201 1 19 . 1 1 37 37 GLY C C 44 170.263 170.263 174.443 -4.180 18514
5202 1 19 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.651 1.066 18514
5203 1 19 . 1 1 37 37 GLY H H 44 8.932 8.932 8.596 0.336 18514
5204 1 19 . 1 1 38 38 CYS N N 45 120.184 120.184 118.291 1.893 18514
5205 1 19 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.855 -0.779 18514
5206 1 19 . 1 1 38 38 CYS C C 45 170.263 170.263 175.062 -4.799 18514
5207 1 19 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.155 3.731 18514
5208 1 19 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.842 3.780 18514
5209 1 19 . 1 1 38 38 CYS H H 45 7.641 7.641 7.845 -0.203 18514
5210 1 19 . 1 1 39 39 HIS N N 46 118.156 118.156 117.785 0.371 18514
5211 1 19 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.751 0.299 18514
5212 1 19 . 1 1 39 39 HIS C C 46 174.223 174.223 174.960 -0.737 18514
5213 1 19 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.358 -0.869 18514
5214 1 19 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.943 -0.255 18514
5215 1 19 . 1 1 39 39 HIS H H 46 8.234 8.234 8.911 -0.677 18514
5216 1 19 . 1 1 40 40 CYS N N 47 118.354 118.354 117.522 0.832 18514
5217 1 19 . 1 1 40 40 CYS HA H 47 4.822 4.822 5.019 -0.197 18514
5218 1 19 . 1 1 40 40 CYS C C 47 176.296 176.296 174.339 1.957 18514
5219 1 19 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.885 -1.289 18514
5220 1 19 . 1 1 40 40 CYS CB C 47 33.238 33.238 28.282 4.956 18514
5221 1 19 . 1 1 40 40 CYS H H 47 7.403 7.403 7.866 -0.463 18514
5222 1 19 . 1 1 41 41 VAL N N 48 118.968 118.968 122.745 -3.777 18514
5223 1 19 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.292 -0.061 18514
5224 1 19 . 1 1 41 41 VAL C C 48 174.265 174.265 176.398 -2.133 18514
5225 1 19 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.524 -0.293 18514
5226 1 19 . 1 1 41 41 VAL CB C 48 34.698 34.698 34.244 0.454 18514
5227 1 19 . 1 1 41 41 VAL H H 48 8.205 8.205 9.015 -0.810 18514
5228 1 19 . 1 1 42 42 GLY N N 49 115.726 115.726 114.181 1.545 18514
5229 1 19 . 1 1 42 42 GLY C C 49 174.223 174.223 174.011 0.212 18514
5230 1 19 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.253 0.860 18514
5231 1 19 . 1 1 42 42 GLY H H 49 8.634 8.634 8.648 -0.014 18514
5232 1 19 . 1 1 43 43 CYS N N 50 119.917 119.917 119.704 0.213 18514
5233 1 19 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.371 -1.214 18514
5234 1 19 . 1 1 43 43 CYS C C 50 173.428 173.428 175.008 -1.580 18514
5235 1 19 . 1 1 43 43 CYS CA C 50 63.346 63.346 58.352 4.994 18514
5236 1 19 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.271 6.855 18514
5237 1 19 . 1 1 43 43 CYS H H 50 7.670 7.670 8.316 -0.646 18514
5238 1 19 . 1 1 44 44 LYS N N 51 128.057 128.057 130.529 -2.472 18514
5239 1 19 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.402 0.196 18514
5240 1 19 . 1 1 44 44 LYS C C 51 171.776 171.776 174.844 -3.068 18514
5241 1 19 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.581 -0.545 18514
5242 1 19 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.158 -0.433 18514
5243 1 19 . 1 1 44 44 LYS H H 51 7.934 7.934 8.268 -0.334 18514
5244 1 19 . 1 1 45 45 ASN N N 52 125.259 125.259 123.058 2.201 18514
5245 1 19 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.064 -0.296 18514
5246 1 19 . 1 1 45 45 ASN C C 52 171.776 171.776 174.361 -2.585 18514
5247 1 19 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.731 2.519 18514
5248 1 19 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.885 -0.365 18514
5249 1 19 . 1 1 45 45 ASN H H 52 9.076 9.076 8.211 0.865 18514
5250 1 19 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.295 0.168 18514
5251 1 19 . 1 1 46 46 PRO CA C 53 63.131 63.131 64.314 -1.183 18514
5252 1 19 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.128 0.203 18514
5253 1 19 . 1 1 47 47 HIS N N 54 121.186 121.186 117.442 3.744 18514
5254 1 19 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.645 -0.131 18514
5255 1 19 . 1 1 47 47 HIS C C 54 172.204 172.204 174.436 -2.232 18514
5256 1 19 . 1 1 47 47 HIS CA C 54 56.304 56.304 56.960 -0.656 18514
5257 1 19 . 1 1 47 47 HIS CB C 54 27.908 27.908 30.930 -3.022 18514
5258 1 19 . 1 1 47 47 HIS H H 54 8.236 8.236 8.675 -0.439 18514
5259 1 19 . 1 1 48 48 LYS N N 55 123.556 123.556 119.047 4.509 18514
5260 1 19 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.575 -0.114 18514
5261 1 19 . 1 1 48 48 LYS C C 55 175.066 175.066 175.407 -0.341 18514
5262 1 19 . 1 1 48 48 LYS CA C 55 55.320 55.320 55.352 -0.032 18514
5263 1 19 . 1 1 48 48 LYS CB C 55 34.106 34.106 34.432 -0.327 18514
5264 1 19 . 1 1 48 48 LYS H H 55 8.470 8.470 8.452 0.018 18514
5265 1 19 . 1 1 49 49 GLU N N 56 121.100 121.100 121.458 -0.358 18514
5266 1 19 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.348 0.003 18514
5267 1 19 . 1 1 49 49 GLU C C 56 173.210 173.210 175.261 -2.051 18514
5268 1 19 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.972 -0.609 18514
5269 1 19 . 1 1 49 49 GLU CB C 56 30.623 30.623 27.808 2.815 18514
5270 1 19 . 1 1 49 49 GLU H H 56 8.523 8.523 8.634 -0.111 18514
5271 1 19 . 1 1 50 50 ASP N N 57 121.579 121.579 123.459 -1.880 18514
5272 1 19 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.721 -0.052 18514
5273 1 19 . 1 1 50 50 ASP C C 57 173.845 173.845 175.184 -1.339 18514
5274 1 19 . 1 1 50 50 ASP CA C 57 54.291 54.291 53.735 0.556 18514
5275 1 19 . 1 1 50 50 ASP CB C 57 41.452 41.452 42.766 -1.314 18514
5276 1 19 . 1 1 50 50 ASP H H 57 8.396 8.396 8.043 0.353 18514
5277 1 19 . 1 1 51 51 TYR N N 58 120.844 120.844 125.666 -4.822 18514
5278 1 19 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.545 -0.028 18514
5279 1 19 . 1 1 51 51 TYR C C 58 173.968 173.968 175.578 -1.610 18514
5280 1 19 . 1 1 51 51 TYR CA C 58 57.796 57.796 58.582 -0.786 18514
5281 1 19 . 1 1 51 51 TYR CB C 58 38.958 38.958 38.818 0.140 18514
5282 1 19 . 1 1 51 51 TYR H H 58 8.176 8.176 8.364 -0.188 18514
5283 1 20 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.717 0.066 18514
5284 1 20 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.312 -0.505 18514
5285 1 20 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.274 -0.483 18514
5286 1 20 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.574 -0.171 18514
5287 1 20 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.905 -0.171 18514
5288 1 20 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.740 -0.852 18514
5289 1 20 . 1 1 4 4 LYS N N 11 124.307 124.307 120.697 3.610 18514
5290 1 20 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.819 -0.304 18514
5291 1 20 . 1 1 4 4 LYS C C 11 173.272 173.272 174.169 -0.897 18514
5292 1 20 . 1 1 4 4 LYS CA C 11 54.281 54.281 53.212 1.069 18514
5293 1 20 . 1 1 4 4 LYS CB C 11 31.920 31.920 32.186 -0.266 18514
5294 1 20 . 1 1 4 4 LYS H H 11 8.380 8.380 8.166 0.214 18514
5295 1 20 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.296 0.140 18514
5296 1 20 . 1 1 5 5 PRO C C 12 127.380 127.380 175.658 -48.278 18514
5297 1 20 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.919 -0.126 18514
5298 1 20 . 1 1 5 5 PRO CB C 12 32.082 32.082 31.859 0.223 18514
5299 1 20 . 1 1 6 6 LYS N N 13 118.851 118.851 119.217 -0.366 18514
5300 1 20 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.628 0.519 18514
5301 1 20 . 1 1 6 6 LYS C C 13 173.408 173.408 175.078 -1.670 18514
5302 1 20 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.182 0.275 18514
5303 1 20 . 1 1 6 6 LYS CB C 13 34.841 34.841 34.564 0.277 18514
5304 1 20 . 1 1 6 6 LYS H H 13 8.064 8.064 8.277 -0.213 18514
5305 1 20 . 1 1 7 7 CYS N N 14 127.385 127.385 115.869 11.516 18514
5306 1 20 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.966 0.262 18514
5307 1 20 . 1 1 7 7 CYS C C 14 173.408 173.408 174.019 -0.611 18514
5308 1 20 . 1 1 7 7 CYS CA C 14 56.592 56.592 57.003 -0.411 18514
5309 1 20 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.519 3.342 18514
5310 1 20 . 1 1 7 7 CYS H H 14 9.943 9.943 8.415 1.528 18514
5311 1 20 . 1 1 8 8 ARG N N 15 117.940 117.940 118.578 -0.638 18514
5312 1 20 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.635 -0.289 18514
5313 1 20 . 1 1 8 8 ARG C C 15 175.808 175.808 175.839 -0.031 18514
5314 1 20 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.414 -1.043 18514
5315 1 20 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.590 0.141 18514
5316 1 20 . 1 1 8 8 ARG H H 15 8.835 8.835 8.689 0.146 18514
5317 1 20 . 1 1 9 9 CYS N N 16 122.323 122.323 118.911 3.412 18514
5318 1 20 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.292 -0.268 18514
5319 1 20 . 1 1 9 9 CYS C C 16 174.360 174.360 175.750 -1.390 18514
5320 1 20 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.868 -0.630 18514
5321 1 20 . 1 1 9 9 CYS CB C 16 32.451 32.451 24.802 7.649 18514
5322 1 20 . 1 1 9 9 CYS H H 16 7.433 7.433 8.483 -1.050 18514
5323 1 20 . 1 1 10 10 GLY N N 17 108.065 108.065 114.965 -6.900 18514
5324 1 20 . 1 1 10 10 GLY C C 17 174.518 174.518 175.625 -1.107 18514
5325 1 20 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.465 0.095 18514
5326 1 20 . 1 1 10 10 GLY H H 17 8.788 8.788 8.458 0.330 18514
5327 1 20 . 1 1 11 11 ILE N N 18 118.990 118.990 122.319 -3.329 18514
5328 1 20 . 1 1 11 11 ILE HA H 18 3.977 3.977 3.933 0.044 18514
5329 1 20 . 1 1 11 11 ILE C C 18 173.820 173.820 176.627 -2.807 18514
5330 1 20 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.213 0.377 18514
5331 1 20 . 1 1 11 11 ILE CB C 18 38.724 38.724 37.553 1.171 18514
5332 1 20 . 1 1 11 11 ILE H H 18 7.557 7.557 8.156 -0.599 18514
5333 1 20 . 1 1 12 12 SER N N 19 116.128 116.128 114.737 1.391 18514
5334 1 20 . 1 1 12 12 SER HA H 19 4.510 4.510 4.632 -0.122 18514
5335 1 20 . 1 1 12 12 SER C C 19 172.948 172.948 174.034 -1.086 18514
5336 1 20 . 1 1 12 12 SER CA C 19 58.200 58.200 57.711 0.489 18514
5337 1 20 . 1 1 12 12 SER CB C 19 63.800 63.800 62.968 0.832 18514
5338 1 20 . 1 1 12 12 SER H H 19 8.418 8.418 7.947 0.471 18514
5339 1 20 . 1 1 13 13 GLY N N 20 110.984 110.984 113.098 -2.114 18514
5340 1 20 . 1 1 13 13 GLY C C 20 172.948 172.948 174.416 -1.468 18514
5341 1 20 . 1 1 13 13 GLY CA C 20 45.398 45.398 44.965 0.433 18514
5342 1 20 . 1 1 13 13 GLY H H 20 8.243 8.243 8.365 -0.122 18514
5343 1 20 . 1 1 14 14 SER N N 21 114.951 114.951 116.763 -1.812 18514
5344 1 20 . 1 1 14 14 SER HA H 21 4.535 4.535 4.490 0.045 18514
5345 1 20 . 1 1 14 14 SER C C 21 175.376 175.376 174.780 0.596 18514
5346 1 20 . 1 1 14 14 SER CA C 21 57.930 57.930 60.090 -2.160 18514
5347 1 20 . 1 1 14 14 SER CB C 21 64.080 64.080 63.694 0.387 18514
5348 1 20 . 1 1 14 14 SER H H 21 8.250 8.250 8.348 -0.098 18514
5349 1 20 . 1 1 15 15 SER N N 22 118.334 118.334 118.348 -0.014 18514
5350 1 20 . 1 1 15 15 SER HA H 22 4.449 4.449 4.506 -0.057 18514
5351 1 20 . 1 1 15 15 SER C C 22 174.863 174.863 173.564 1.299 18514
5352 1 20 . 1 1 15 15 SER CA C 22 57.767 57.767 58.109 -0.342 18514
5353 1 20 . 1 1 15 15 SER CB C 22 63.598 63.598 63.059 0.539 18514
5354 1 20 . 1 1 15 15 SER H H 22 8.427 8.427 8.176 0.251 18514
5355 1 20 . 1 1 16 16 ASN N N 23 120.784 120.784 122.281 -1.497 18514
5356 1 20 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.447 0.363 18514
5357 1 20 . 1 1 16 16 ASN C C 23 175.364 175.364 174.569 0.795 18514
5358 1 20 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.909 -0.735 18514
5359 1 20 . 1 1 16 16 ASN CB C 23 38.467 38.467 37.818 0.649 18514
5360 1 20 . 1 1 16 16 ASN H H 23 8.453 8.453 8.972 -0.519 18514
5361 1 20 . 1 1 17 17 THR N N 24 115.660 115.660 112.193 3.467 18514
5362 1 20 . 1 1 17 17 THR HA H 24 4.346 4.346 4.488 -0.142 18514
5363 1 20 . 1 1 17 17 THR C C 24 173.428 173.428 175.005 -1.577 18514
5364 1 20 . 1 1 17 17 THR CA C 24 62.126 62.126 64.192 -2.066 18514
5365 1 20 . 1 1 17 17 THR CB C 24 68.777 68.777 69.764 -0.987 18514
5366 1 20 . 1 1 17 17 THR H H 24 8.417 8.417 8.533 -0.116 18514
5367 1 20 . 1 1 18 18 LEU N N 25 121.190 121.190 118.103 3.087 18514
5368 1 20 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.451 -0.157 18514
5369 1 20 . 1 1 18 18 LEU C C 25 173.951 173.951 177.164 -3.213 18514
5370 1 20 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.408 -0.160 18514
5371 1 20 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.645 -0.338 18514
5372 1 20 . 1 1 18 18 LEU H H 25 8.218 8.218 7.963 0.255 18514
5373 1 20 . 1 1 19 19 THR N N 26 106.988 106.988 112.538 -5.550 18514
5374 1 20 . 1 1 19 19 THR HA H 26 4.230 4.230 4.380 -0.150 18514
5375 1 20 . 1 1 19 19 THR C C 26 171.429 171.429 175.225 -3.796 18514
5376 1 20 . 1 1 19 19 THR CA C 26 60.631 60.631 62.237 -1.606 18514
5377 1 20 . 1 1 19 19 THR CB C 26 68.296 68.296 68.295 0.001 18514
5378 1 20 . 1 1 19 19 THR H H 26 7.791 7.791 7.937 -0.146 18514
5379 1 20 . 1 1 20 20 THR N N 27 121.441 121.441 118.673 2.768 18514
5380 1 20 . 1 1 20 20 THR HA H 27 3.976 3.976 4.151 -0.175 18514
5381 1 20 . 1 1 20 20 THR C C 27 175.121 175.121 175.793 -0.672 18514
5382 1 20 . 1 1 20 20 THR CA C 27 68.900 68.900 65.497 3.403 18514
5383 1 20 . 1 1 20 20 THR CB C 27 65.100 65.100 68.327 -3.227 18514
5384 1 20 . 1 1 20 20 THR H H 27 7.370 7.370 8.396 -1.026 18514
5385 1 20 . 1 1 21 21 CYS N N 28 121.174 121.174 118.729 2.445 18514
5386 1 20 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.577 -0.567 18514
5387 1 20 . 1 1 21 21 CYS C C 28 174.930 174.930 174.923 0.007 18514
5388 1 20 . 1 1 21 21 CYS CA C 28 59.809 59.809 59.368 0.441 18514
5389 1 20 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.459 5.298 18514
5390 1 20 . 1 1 21 21 CYS H H 28 9.321 9.321 8.356 0.965 18514
5391 1 20 . 1 1 22 22 ARG N N 29 115.643 115.643 117.628 -1.985 18514
5392 1 20 . 1 1 22 22 ARG HA H 29 3.223 3.223 3.722 -0.499 18514
5393 1 20 . 1 1 22 22 ARG C C 29 177.619 177.619 174.673 2.946 18514
5394 1 20 . 1 1 22 22 ARG CA C 29 52.830 52.830 55.916 -3.086 18514
5395 1 20 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.096 1.172 18514
5396 1 20 . 1 1 22 22 ARG H H 29 7.880 7.880 7.996 -0.116 18514
5397 1 20 . 1 1 23 23 ASN N N 30 113.854 113.854 117.360 -3.506 18514
5398 1 20 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.634 -0.048 18514
5399 1 20 . 1 1 23 23 ASN C C 30 174.972 174.972 175.437 -0.465 18514
5400 1 20 . 1 1 23 23 ASN CA C 30 51.476 51.476 52.077 -0.601 18514
5401 1 20 . 1 1 23 23 ASN CB C 30 41.353 41.353 39.316 2.037 18514
5402 1 20 . 1 1 23 23 ASN H H 30 6.816 6.816 7.476 -0.660 18514
5403 1 20 . 1 1 24 24 SER N N 31 113.788 113.788 113.802 -0.014 18514
5404 1 20 . 1 1 24 24 SER HA H 31 4.172 4.172 4.429 -0.257 18514
5405 1 20 . 1 1 24 24 SER C C 31 174.820 174.820 174.980 -0.160 18514
5406 1 20 . 1 1 24 24 SER CA C 31 61.080 61.080 60.211 0.869 18514
5407 1 20 . 1 1 24 24 SER CB C 31 63.425 63.425 63.003 0.422 18514
5408 1 20 . 1 1 24 24 SER H H 31 8.873 8.873 8.687 0.186 18514
5409 1 20 . 1 1 25 25 ARG N N 32 119.696 119.696 118.821 0.875 18514
5410 1 20 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.469 -0.262 18514
5411 1 20 . 1 1 25 25 ARG C C 32 175.482 175.482 176.205 -0.723 18514
5412 1 20 . 1 1 25 25 ARG CA C 32 57.018 57.018 55.695 1.323 18514
5413 1 20 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.911 -1.179 18514
5414 1 20 . 1 1 25 25 ARG H H 32 8.104 8.104 7.997 0.107 18514
5415 1 20 . 1 1 26 26 CYS N N 33 123.061 123.061 123.035 0.026 18514
5416 1 20 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.937 -0.250 18514
5417 1 20 . 1 1 26 26 CYS C C 33 173.064 173.064 174.167 -1.103 18514
5418 1 20 . 1 1 26 26 CYS CA C 33 55.700 55.700 56.171 -0.471 18514
5419 1 20 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.013 3.941 18514
5420 1 20 . 1 1 26 26 CYS H H 33 7.766 7.766 7.818 -0.052 18514
5421 1 20 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.187 0.105 18514
5422 1 20 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.185 -0.919 18514
5423 1 20 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.619 0.539 18514
5424 1 20 . 1 1 28 28 CYS N N 35 129.050 129.050 115.535 13.515 18514
5425 1 20 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.191 -0.561 18514
5426 1 20 . 1 1 28 28 CYS C C 35 171.254 171.254 176.600 -5.346 18514
5427 1 20 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.107 -0.522 18514
5428 1 20 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.938 3.309 18514
5429 1 20 . 1 1 28 28 CYS H H 35 8.368 8.368 8.046 0.322 18514
5430 1 20 . 1 1 29 29 TYR N N 36 124.364 124.364 121.419 2.945 18514
5431 1 20 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.032 0.028 18514
5432 1 20 . 1 1 29 29 TYR C C 36 172.650 172.650 177.371 -4.721 18514
5433 1 20 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.442 0.679 18514
5434 1 20 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.315 -0.394 18514
5435 1 20 . 1 1 29 29 TYR H H 36 8.197 8.197 7.815 0.382 18514
5436 1 20 . 1 1 30 30 LYS N N 37 117.214 117.214 116.825 0.389 18514
5437 1 20 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.710 0.069 18514
5438 1 20 . 1 1 30 30 LYS C C 37 172.650 172.650 177.795 -5.145 18514
5439 1 20 . 1 1 30 30 LYS CA C 37 58.396 58.396 57.722 0.674 18514
5440 1 20 . 1 1 30 30 LYS CB C 37 32.632 32.632 31.958 0.674 18514
5441 1 20 . 1 1 30 30 LYS H H 37 8.441 8.441 7.630 0.810 18514
5442 1 20 . 1 1 31 31 SER N N 38 109.671 109.671 112.808 -3.137 18514
5443 1 20 . 1 1 31 31 SER HA H 38 4.348 4.348 4.113 0.235 18514
5444 1 20 . 1 1 31 31 SER C C 38 173.566 173.566 173.843 -0.277 18514
5445 1 20 . 1 1 31 31 SER CA C 38 56.469 56.469 58.273 -1.804 18514
5446 1 20 . 1 1 31 31 SER CB C 38 63.461 63.461 63.493 -0.032 18514
5447 1 20 . 1 1 31 31 SER H H 38 7.180 7.180 7.327 -0.147 18514
5448 1 20 . 1 1 32 32 TYR N N 39 116.096 116.096 114.220 1.876 18514
5449 1 20 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.261 -0.174 18514
5450 1 20 . 1 1 32 32 TYR C C 39 176.728 176.728 174.457 2.271 18514
5451 1 20 . 1 1 32 32 TYR CA C 39 58.616 58.616 58.972 -0.356 18514
5452 1 20 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.665 -0.115 18514
5453 1 20 . 1 1 32 32 TYR H H 39 7.410 7.410 6.957 0.453 18514
5454 1 20 . 1 1 33 33 ASN N N 40 116.549 116.549 117.329 -0.780 18514
5455 1 20 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.970 0.033 18514
5456 1 20 . 1 1 33 33 ASN C C 40 176.083 176.083 174.429 1.654 18514
5457 1 20 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.557 -0.413 18514
5458 1 20 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.538 2.016 18514
5459 1 20 . 1 1 33 33 ASN H H 40 8.257 8.257 7.976 0.281 18514
5460 1 20 . 1 1 34 34 SER N N 41 115.071 115.071 113.831 1.240 18514
5461 1 20 . 1 1 34 34 SER HA H 41 4.477 4.477 5.069 -0.592 18514
5462 1 20 . 1 1 34 34 SER C C 41 174.850 174.850 175.380 -0.530 18514
5463 1 20 . 1 1 34 34 SER CA C 41 57.625 57.625 57.444 0.181 18514
5464 1 20 . 1 1 34 34 SER CB C 41 65.000 65.000 64.991 0.009 18514
5465 1 20 . 1 1 34 34 SER H H 41 8.720 8.720 8.340 0.380 18514
5466 1 20 . 1 1 35 35 CYS N N 42 115.950 115.950 122.384 -6.434 18514
5467 1 20 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.651 1.029 18514
5468 1 20 . 1 1 35 35 CYS C C 42 174.850 174.850 175.114 -0.264 18514
5469 1 20 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.214 1.570 18514
5470 1 20 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.551 7.397 18514
5471 1 20 . 1 1 35 35 CYS H H 42 8.696 8.696 9.012 -0.316 18514
5472 1 20 . 1 1 36 36 ALA N N 43 124.417 124.417 126.746 -2.329 18514
5473 1 20 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.525 -0.308 18514
5474 1 20 . 1 1 36 36 ALA C C 43 173.572 173.572 176.842 -3.270 18514
5475 1 20 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.494 2.835 18514
5476 1 20 . 1 1 36 36 ALA CB C 43 17.835 17.835 19.914 -2.079 18514
5477 1 20 . 1 1 36 36 ALA H H 43 8.002 8.002 7.575 0.427 18514
5478 1 20 . 1 1 37 37 GLY N N 44 113.524 113.524 111.273 2.251 18514
5479 1 20 . 1 1 37 37 GLY C C 44 170.263 170.263 174.722 -4.459 18514
5480 1 20 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.681 1.036 18514
5481 1 20 . 1 1 37 37 GLY H H 44 8.932 8.932 8.658 0.274 18514
5482 1 20 . 1 1 38 38 CYS N N 45 120.184 120.184 118.329 1.855 18514
5483 1 20 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.537 -0.461 18514
5484 1 20 . 1 1 38 38 CYS C C 45 170.263 170.263 174.370 -4.107 18514
5485 1 20 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.372 3.514 18514
5486 1 20 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.198 4.424 18514
5487 1 20 . 1 1 38 38 CYS H H 45 7.641 7.641 7.778 -0.137 18514
5488 1 20 . 1 1 39 39 HIS N N 46 118.156 118.156 120.253 -2.097 18514
5489 1 20 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.751 0.299 18514
5490 1 20 . 1 1 39 39 HIS C C 46 174.223 174.223 174.834 -0.611 18514
5491 1 20 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.821 -1.332 18514
5492 1 20 . 1 1 39 39 HIS CB C 46 29.688 29.688 30.354 -0.666 18514
5493 1 20 . 1 1 39 39 HIS H H 46 8.234 8.234 9.048 -0.814 18514
5494 1 20 . 1 1 40 40 CYS N N 47 118.354 118.354 116.774 1.580 18514
5495 1 20 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.754 0.068 18514
5496 1 20 . 1 1 40 40 CYS C C 47 176.296 176.296 174.397 1.899 18514
5497 1 20 . 1 1 40 40 CYS CA C 47 55.596 55.596 55.997 -0.401 18514
5498 1 20 . 1 1 40 40 CYS CB C 47 33.238 33.238 28.453 4.785 18514
5499 1 20 . 1 1 40 40 CYS H H 47 7.403 7.403 7.864 -0.461 18514
5500 1 20 . 1 1 41 41 VAL N N 48 118.968 118.968 123.721 -4.753 18514
5501 1 20 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.249 -0.018 18514
5502 1 20 . 1 1 41 41 VAL C C 48 174.265 174.265 175.989 -1.724 18514
5503 1 20 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.659 -0.428 18514
5504 1 20 . 1 1 41 41 VAL CB C 48 34.698 34.698 33.857 0.841 18514
5505 1 20 . 1 1 41 41 VAL H H 48 8.205 8.205 8.442 -0.237 18514
5506 1 20 . 1 1 42 42 GLY N N 49 115.726 115.726 114.581 1.145 18514
5507 1 20 . 1 1 42 42 GLY C C 49 174.223 174.223 173.706 0.517 18514
5508 1 20 . 1 1 42 42 GLY CA C 49 46.113 46.113 44.937 1.176 18514
5509 1 20 . 1 1 42 42 GLY H H 49 8.634 8.634 8.620 0.014 18514
5510 1 20 . 1 1 43 43 CYS N N 50 119.917 119.917 120.213 -0.296 18514
5511 1 20 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.472 -1.315 18514
5512 1 20 . 1 1 43 43 CYS C C 50 173.428 173.428 174.938 -1.510 18514
5513 1 20 . 1 1 43 43 CYS CA C 50 63.346 63.346 57.848 5.498 18514
5514 1 20 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.416 6.710 18514
5515 1 20 . 1 1 43 43 CYS H H 50 7.670 7.670 8.286 -0.616 18514
5516 1 20 . 1 1 44 44 LYS N N 51 128.057 128.057 130.490 -2.433 18514
5517 1 20 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.361 0.237 18514
5518 1 20 . 1 1 44 44 LYS C C 51 171.776 171.776 174.781 -3.005 18514
5519 1 20 . 1 1 44 44 LYS CA C 51 54.036 54.036 55.371 -1.335 18514
5520 1 20 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.787 -1.062 18514
5521 1 20 . 1 1 44 44 LYS H H 51 7.934 7.934 8.337 -0.403 18514
5522 1 20 . 1 1 45 45 ASN N N 52 125.259 125.259 123.168 2.091 18514
5523 1 20 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.111 -0.344 18514
5524 1 20 . 1 1 45 45 ASN C C 52 171.776 171.776 174.293 -2.517 18514
5525 1 20 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.855 2.395 18514
5526 1 20 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.795 -0.275 18514
5527 1 20 . 1 1 45 45 ASN H H 52 9.076 9.076 8.211 0.865 18514
5528 1 20 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.366 0.097 18514
5529 1 20 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.732 -0.601 18514
5530 1 20 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.162 0.169 18514
5531 1 20 . 1 1 47 47 HIS N N 54 121.186 121.186 119.743 1.443 18514
5532 1 20 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.585 -0.071 18514
5533 1 20 . 1 1 47 47 HIS C C 54 172.204 172.204 174.259 -2.055 18514
5534 1 20 . 1 1 47 47 HIS CA C 54 56.304 56.304 56.167 0.137 18514
5535 1 20 . 1 1 47 47 HIS CB C 54 27.908 27.908 29.394 -1.486 18514
5536 1 20 . 1 1 47 47 HIS H H 54 8.236 8.236 8.366 -0.130 18514
5537 1 20 . 1 1 48 48 LYS N N 55 123.556 123.556 124.450 -0.894 18514
5538 1 20 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.649 -0.188 18514
5539 1 20 . 1 1 48 48 LYS C C 55 175.066 175.066 176.689 -1.623 18514
5540 1 20 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.214 1.106 18514
5541 1 20 . 1 1 48 48 LYS CB C 55 34.106 34.106 34.251 -0.145 18514
5542 1 20 . 1 1 48 48 LYS H H 55 8.470 8.470 8.184 0.286 18514
5543 1 20 . 1 1 49 49 GLU N N 56 121.100 121.100 121.093 0.007 18514
5544 1 20 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.379 -0.028 18514
5545 1 20 . 1 1 49 49 GLU C C 56 173.210 173.210 175.695 -2.485 18514
5546 1 20 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.738 -0.375 18514
5547 1 20 . 1 1 49 49 GLU CB C 56 30.623 30.623 28.407 2.216 18514
5548 1 20 . 1 1 49 49 GLU H H 56 8.523 8.523 8.828 -0.305 18514
5549 1 20 . 1 1 50 50 ASP N N 57 121.579 121.579 123.109 -1.530 18514
5550 1 20 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.618 0.051 18514
5551 1 20 . 1 1 50 50 ASP C C 57 173.845 173.845 175.435 -1.590 18514
5552 1 20 . 1 1 50 50 ASP CA C 57 54.291 54.291 54.567 -0.276 18514
5553 1 20 . 1 1 50 50 ASP CB C 57 41.452 41.452 41.935 -0.483 18514
5554 1 20 . 1 1 50 50 ASP H H 57 8.396 8.396 8.330 0.066 18514
5555 1 20 . 1 1 51 51 TYR N N 58 120.844 120.844 123.550 -2.706 18514
5556 1 20 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.409 0.108 18514
5557 1 20 . 1 1 51 51 TYR C C 58 173.968 173.968 174.426 -0.458 18514
5558 1 20 . 1 1 51 51 TYR CA C 58 57.796 57.796 58.767 -0.971 18514
5559 1 20 . 1 1 51 51 TYR CB C 58 38.958 38.958 37.903 1.055 18514
5560 1 20 . 1 1 51 51 TYR H H 58 8.176 8.176 8.072 0.104 18514
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 3.744 0.409 3.763 18514
2 1 1 "Average Difference" HA 54 0.377 0.071 0.374 18514
3 1 1 "Average Difference" C 46 7.485 2.281 7.208 18514
4 1 1 "Average Difference" CA 50 1.489 -0.186 1.492 18514
5 1 1 "Average Difference" CB 46 2.581 -0.908 2.443 18514
6 1 1 "Average Difference" HN 45 0.519 0.030 0.524 18514
7 1 2 "Average Difference" N 45 3.891 -0.012 3.935 18514
8 1 2 "Average Difference" HA 54 0.374 0.078 0.369 18514
9 1 2 "Average Difference" C 46 7.509 2.183 7.264 18514
10 1 2 "Average Difference" CA 50 1.513 -0.170 1.519 18514
11 1 2 "Average Difference" CB 46 2.582 -0.844 2.468 18514
12 1 2 "Average Difference" HN 45 0.464 -0.011 0.469 18514
13 1 3 "Average Difference" N 45 3.548 -0.204 3.582 18514
14 1 3 "Average Difference" HA 54 0.457 0.051 0.458 18514
15 1 3 "Average Difference" C 46 7.549 2.418 7.230 18514
16 1 3 "Average Difference" CA 50 1.698 -0.041 1.715 18514
17 1 3 "Average Difference" CB 46 2.442 -1.001 2.252 18514
18 1 3 "Average Difference" HN 45 0.503 -0.039 0.507 18514
19 1 4 "Average Difference" N 45 3.258 -0.165 3.291 18514
20 1 4 "Average Difference" HA 54 0.364 0.070 0.360 18514
21 1 4 "Average Difference" C 46 7.544 2.292 7.267 18514
22 1 4 "Average Difference" CA 50 1.371 -0.174 1.374 18514
23 1 4 "Average Difference" CB 46 2.522 -0.877 2.391 18514
24 1 4 "Average Difference" HN 45 0.499 -0.036 0.504 18514
25 1 5 "Average Difference" N 45 3.622 0.286 3.651 18514
26 1 5 "Average Difference" HA 54 0.391 0.084 0.386 18514
27 1 5 "Average Difference" C 46 7.474 2.303 7.188 18514
28 1 5 "Average Difference" CA 50 1.453 -0.046 1.467 18514
29 1 5 "Average Difference" CB 46 2.640 -0.847 2.529 18514
30 1 5 "Average Difference" HN 45 0.473 -0.041 0.476 18514
31 1 6 "Average Difference" N 45 3.430 0.112 3.467 18514
32 1 6 "Average Difference" HA 54 0.386 0.070 0.383 18514
33 1 6 "Average Difference" C 46 7.545 2.342 7.252 18514
34 1 6 "Average Difference" CA 50 1.360 -0.110 1.369 18514
35 1 6 "Average Difference" CB 46 2.635 -1.019 2.457 18514
36 1 6 "Average Difference" HN 45 0.491 -0.049 0.494 18514
37 1 7 "Average Difference" N 45 3.570 -0.258 3.600 18514
38 1 7 "Average Difference" HA 54 0.423 0.056 0.423 18514
39 1 7 "Average Difference" C 46 7.487 2.409 7.167 18514
40 1 7 "Average Difference" CA 50 1.759 -0.180 1.767 18514
41 1 7 "Average Difference" CB 46 2.321 -0.983 2.126 18514
42 1 7 "Average Difference" HN 45 0.524 -0.092 0.521 18514
43 1 8 "Average Difference" N 45 3.756 0.159 3.795 18514
44 1 8 "Average Difference" HA 54 0.377 0.062 0.375 18514
45 1 8 "Average Difference" C 46 7.476 2.230 7.214 18514
46 1 8 "Average Difference" CA 50 1.549 -0.079 1.562 18514
47 1 8 "Average Difference" CB 46 2.548 -0.777 2.453 18514
48 1 8 "Average Difference" HN 45 0.499 0.047 0.503 18514
49 1 9 "Average Difference" N 45 3.573 -0.309 3.600 18514
50 1 9 "Average Difference" HA 54 0.379 0.088 0.373 18514
51 1 9 "Average Difference" C 46 7.507 2.273 7.234 18514
52 1 9 "Average Difference" CA 50 1.304 -0.096 1.314 18514
53 1 9 "Average Difference" CB 46 2.631 -0.764 2.546 18514
54 1 9 "Average Difference" HN 45 0.496 -0.003 0.502 18514
55 1 10 "Average Difference" N 45 3.354 0.146 3.389 18514
56 1 10 "Average Difference" HA 54 0.394 0.079 0.389 18514
57 1 10 "Average Difference" C 46 7.470 2.301 7.185 18514
58 1 10 "Average Difference" CA 50 1.542 -0.180 1.547 18514
59 1 10 "Average Difference" CB 46 2.693 -1.007 2.525 18514
60 1 10 "Average Difference" HN 45 0.503 -0.045 0.507 18514
61 1 11 "Average Difference" N 45 3.339 -0.257 3.367 18514
62 1 11 "Average Difference" HA 54 0.398 0.072 0.395 18514
63 1 11 "Average Difference" C 46 7.510 2.460 7.174 18514
64 1 11 "Average Difference" CA 50 1.582 -0.050 1.597 18514
65 1 11 "Average Difference" CB 46 2.538 -0.961 2.375 18514
66 1 11 "Average Difference" HN 45 0.521 -0.061 0.523 18514
67 1 12 "Average Difference" N 45 3.553 -0.379 3.572 18514
68 1 12 "Average Difference" HA 54 0.355 0.069 0.351 18514
69 1 12 "Average Difference" C 46 7.432 2.403 7.110 18514
70 1 12 "Average Difference" CA 50 1.614 -0.019 1.631 18514
71 1 12 "Average Difference" CB 46 2.526 -0.939 2.370 18514
72 1 12 "Average Difference" HN 45 0.503 -0.043 0.507 18514
73 1 13 "Average Difference" N 45 3.984 0.235 4.022 18514
74 1 13 "Average Difference" HA 54 0.355 0.054 0.354 18514
75 1 13 "Average Difference" C 46 7.575 2.333 7.287 18514
76 1 13 "Average Difference" CA 50 1.597 -0.020 1.613 18514
77 1 13 "Average Difference" CB 46 2.649 -0.974 2.491 18514
78 1 13 "Average Difference" HN 45 0.507 0.047 0.511 18514
79 1 14 "Average Difference" N 45 3.348 -0.203 3.379 18514
80 1 14 "Average Difference" HA 54 0.363 0.062 0.362 18514
81 1 14 "Average Difference" C 46 7.502 2.411 7.183 18514
82 1 14 "Average Difference" CA 50 1.433 -0.092 1.445 18514
83 1 14 "Average Difference" CB 46 2.572 -1.098 2.352 18514
84 1 14 "Average Difference" HN 45 0.462 0.030 0.466 18514
85 1 15 "Average Difference" N 45 3.747 -0.356 3.772 18514
86 1 15 "Average Difference" HA 54 0.409 0.048 0.410 18514
87 1 15 "Average Difference" C 46 7.490 2.396 7.175 18514
88 1 15 "Average Difference" CA 50 1.656 0.021 1.672 18514
89 1 15 "Average Difference" CB 46 2.451 -1.034 2.247 18514
90 1 15 "Average Difference" HN 45 0.495 0.011 0.501 18514
91 1 16 "Average Difference" N 45 3.683 -0.327 3.710 18514
92 1 16 "Average Difference" HA 54 0.451 0.085 0.447 18514
93 1 16 "Average Difference" C 46 7.523 2.363 7.221 18514
94 1 16 "Average Difference" CA 50 1.654 -0.180 1.661 18514
95 1 16 "Average Difference" CB 46 2.589 -0.952 2.434 18514
96 1 16 "Average Difference" HN 45 0.485 -0.082 0.484 18514
97 1 17 "Average Difference" N 45 3.639 0.408 3.656 18514
98 1 17 "Average Difference" HA 54 0.394 0.031 0.396 18514
99 1 17 "Average Difference" C 46 7.525 2.324 7.237 18514
100 1 17 "Average Difference" CA 50 1.397 -0.126 1.405 18514
101 1 17 "Average Difference" CB 46 2.603 -0.999 2.431 18514
102 1 17 "Average Difference" HN 45 0.490 -0.031 0.495 18514
103 1 18 "Average Difference" N 45 3.461 -0.375 3.479 18514
104 1 18 "Average Difference" HA 54 0.377 0.069 0.374 18514
105 1 18 "Average Difference" C 46 7.509 2.407 7.191 18514
106 1 18 "Average Difference" CA 50 1.501 -0.011 1.516 18514
107 1 18 "Average Difference" CB 46 2.424 -0.899 2.275 18514
108 1 18 "Average Difference" HN 45 0.483 -0.011 0.488 18514
109 1 19 "Average Difference" N 45 3.483 -0.472 3.490 18514
110 1 19 "Average Difference" HA 54 0.355 0.058 0.353 18514
111 1 19 "Average Difference" C 46 7.505 2.228 7.246 18514
112 1 19 "Average Difference" CA 50 1.403 -0.137 1.411 18514
113 1 19 "Average Difference" CB 46 2.519 -0.864 2.393 18514
114 1 19 "Average Difference" HN 45 0.479 -0.030 0.483 18514
115 1 20 "Average Difference" N 45 3.734 -0.174 3.772 18514
116 1 20 "Average Difference" HA 54 0.350 0.069 0.346 18514
117 1 20 "Average Difference" C 46 7.466 2.278 7.188 18514
118 1 20 "Average Difference" CA 50 1.509 -0.115 1.520 18514
119 1 20 "Average Difference" CB 46 2.593 -1.047 2.398 18514
120 1 20 "Average Difference" HN 45 0.502 -0.019 0.507 18514
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 18514
_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 PRO HA H 9 4.783 4.783 4.750 0.033 18514
2 1 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.193 -0.386 18514
3 1 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.496 -0.705 18514
4 1 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.505 -0.102 18514
5 1 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.902 -0.168 18514
6 1 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.372 -0.484 18514
7 1 . 1 1 4 4 LYS N N 11 124.307 124.307 123.405 0.902 18514
8 1 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.593 -0.078 18514
9 1 . 1 1 4 4 LYS C C 11 173.272 173.272 174.710 -1.438 18514
10 1 . 1 1 4 4 LYS CA C 11 54.281 54.281 54.033 0.248 18514
11 1 . 1 1 4 4 LYS CB C 11 31.920 31.920 32.402 -0.482 18514
12 1 . 1 1 4 4 LYS H H 11 8.380 8.380 8.210 0.171 18514
13 1 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.375 0.061 18514
14 1 . 1 1 5 5 PRO C C 12 127.380 127.380 175.725 -48.345 18514
15 1 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.898 -0.105 18514
16 1 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.176 -0.094 18514
17 1 . 1 1 6 6 LYS N N 13 118.851 118.851 120.347 -1.496 18514
18 1 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.591 0.556 18514
19 1 . 1 1 6 6 LYS C C 13 173.408 173.408 175.749 -2.341 18514
20 1 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.616 -0.159 18514
21 1 . 1 1 6 6 LYS CB C 13 34.841 34.841 34.328 0.513 18514
22 1 . 1 1 6 6 LYS H H 13 8.064 8.064 8.195 -0.131 18514
23 1 . 1 1 7 7 CYS N N 14 127.385 127.385 119.166 8.219 18514
24 1 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.874 0.354 18514
25 1 . 1 1 7 7 CYS C C 14 173.408 173.408 174.452 -1.044 18514
26 1 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.852 -0.260 18514
27 1 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.014 3.847 18514
28 1 . 1 1 7 7 CYS H H 14 9.943 9.943 8.413 1.530 18514
29 1 . 1 1 8 8 ARG N N 15 117.940 117.940 119.574 -1.634 18514
30 1 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.686 -0.340 18514
31 1 . 1 1 8 8 ARG C C 15 175.808 175.808 175.957 -0.149 18514
32 1 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.236 -0.865 18514
33 1 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.201 0.530 18514
34 1 . 1 1 8 8 ARG H H 15 8.835 8.835 8.599 0.236 18514
35 1 . 1 1 9 9 CYS N N 16 122.323 122.323 118.081 4.242 18514
36 1 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.516 -0.492 18514
37 1 . 1 1 9 9 CYS C C 16 174.360 174.360 176.229 -1.869 18514
38 1 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.821 -0.583 18514
39 1 . 1 1 9 9 CYS CB C 16 32.451 32.451 26.012 6.439 18514
40 1 . 1 1 9 9 CYS H H 16 7.433 7.433 8.362 -0.929 18514
41 1 . 1 1 10 10 GLY N N 17 108.065 108.065 114.343 -6.278 18514
42 1 . 1 1 10 10 GLY C C 17 174.518 174.518 175.271 -0.753 18514
43 1 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.985 -0.425 18514
44 1 . 1 1 10 10 GLY H H 17 8.788 8.788 8.843 -0.055 18514
45 1 . 1 1 11 11 ILE N N 18 118.990 118.990 121.533 -2.543 18514
46 1 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.061 -0.084 18514
47 1 . 1 1 11 11 ILE C C 18 173.820 173.820 176.392 -2.572 18514
48 1 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.137 0.453 18514
49 1 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.513 0.211 18514
50 1 . 1 1 11 11 ILE H H 18 7.557 7.557 7.785 -0.228 18514
51 1 . 1 1 12 12 SER N N 19 116.128 116.128 114.519 1.609 18514
52 1 . 1 1 12 12 SER HA H 19 4.510 4.510 4.588 -0.078 18514
53 1 . 1 1 12 12 SER C C 19 172.948 172.948 174.273 -1.325 18514
54 1 . 1 1 12 12 SER CA C 19 58.200 58.200 58.165 0.035 18514
55 1 . 1 1 12 12 SER CB C 19 63.800 63.800 64.432 -0.632 18514
56 1 . 1 1 12 12 SER H H 19 8.418 8.418 7.943 0.475 18514
57 1 . 1 1 13 13 GLY N N 20 110.984 110.984 111.688 -0.704 18514
58 1 . 1 1 13 13 GLY C C 20 172.948 172.948 173.787 -0.839 18514
59 1 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.193 0.205 18514
60 1 . 1 1 13 13 GLY H H 20 8.243 8.243 8.354 -0.111 18514
61 1 . 1 1 14 14 SER N N 21 114.951 114.951 116.773 -1.822 18514
62 1 . 1 1 14 14 SER HA H 21 4.535 4.535 4.517 0.018 18514
63 1 . 1 1 14 14 SER C C 21 175.376 175.376 174.512 0.864 18514
64 1 . 1 1 14 14 SER CA C 21 57.930 57.930 58.636 -0.706 18514
65 1 . 1 1 14 14 SER CB C 21 64.080 64.080 63.583 0.498 18514
66 1 . 1 1 14 14 SER H H 21 8.250 8.250 8.252 -0.002 18514
67 1 . 1 1 15 15 SER N N 22 118.334 118.334 118.539 -0.205 18514
68 1 . 1 1 15 15 SER HA H 22 4.449 4.449 4.442 0.007 18514
69 1 . 1 1 15 15 SER C C 22 174.863 174.863 173.898 0.964 18514
70 1 . 1 1 15 15 SER CA C 22 57.767 57.767 58.852 -1.085 18514
71 1 . 1 1 15 15 SER CB C 22 63.598 63.598 63.516 0.082 18514
72 1 . 1 1 15 15 SER H H 22 8.427 8.427 8.430 -0.003 18514
73 1 . 1 1 16 16 ASN N N 23 120.784 120.784 120.723 0.061 18514
74 1 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.766 0.044 18514
75 1 . 1 1 16 16 ASN C C 23 175.364 175.364 175.081 0.283 18514
76 1 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.353 -0.179 18514
77 1 . 1 1 16 16 ASN CB C 23 38.467 38.467 39.414 -0.947 18514
78 1 . 1 1 16 16 ASN H H 23 8.453 8.453 8.193 0.260 18514
79 1 . 1 1 17 17 THR N N 24 115.660 115.660 116.203 -0.543 18514
80 1 . 1 1 17 17 THR HA H 24 4.346 4.346 4.329 0.017 18514
81 1 . 1 1 17 17 THR C C 24 173.428 173.428 175.376 -1.948 18514
82 1 . 1 1 17 17 THR CA C 24 62.126 62.126 64.471 -2.345 18514
83 1 . 1 1 17 17 THR CB C 24 68.777 68.777 69.295 -0.518 18514
84 1 . 1 1 17 17 THR H H 24 8.417 8.417 8.467 -0.050 18514
85 1 . 1 1 18 18 LEU N N 25 121.190 121.190 118.770 2.420 18514
86 1 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.508 -0.214 18514
87 1 . 1 1 18 18 LEU C C 25 173.951 173.951 176.990 -3.039 18514
88 1 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.353 -0.105 18514
89 1 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.274 0.033 18514
90 1 . 1 1 18 18 LEU H H 25 8.218 8.218 7.921 0.296 18514
91 1 . 1 1 19 19 THR N N 26 106.988 106.988 110.777 -3.789 18514
92 1 . 1 1 19 19 THR HA H 26 4.230 4.230 4.484 -0.254 18514
93 1 . 1 1 19 19 THR C C 26 171.429 171.429 175.266 -3.837 18514
94 1 . 1 1 19 19 THR CA C 26 60.631 60.631 61.515 -0.884 18514
95 1 . 1 1 19 19 THR CB C 26 68.296 68.296 68.985 -0.689 18514
96 1 . 1 1 19 19 THR H H 26 7.791 7.791 7.937 -0.146 18514
97 1 . 1 1 20 20 THR N N 27 121.441 121.441 118.717 2.724 18514
98 1 . 1 1 20 20 THR HA H 27 3.976 3.976 4.091 -0.115 18514
99 1 . 1 1 20 20 THR C C 27 175.121 175.121 175.893 -0.773 18514
100 1 . 1 1 20 20 THR CA C 27 68.900 68.900 65.874 3.026 18514
101 1 . 1 1 20 20 THR CB C 27 65.100 65.100 68.540 -3.440 18514
102 1 . 1 1 20 20 THR H H 27 7.370 7.370 8.111 -0.741 18514
103 1 . 1 1 21 21 CYS N N 28 121.174 121.174 116.754 4.420 18514
104 1 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.540 -0.530 18514
105 1 . 1 1 21 21 CYS C C 28 174.930 174.930 175.373 -0.443 18514
106 1 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.954 0.855 18514
107 1 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.067 5.690 18514
108 1 . 1 1 21 21 CYS H H 28 9.321 9.321 8.403 0.918 18514
109 1 . 1 1 22 22 ARG N N 29 115.643 115.643 119.084 -3.441 18514
110 1 . 1 1 22 22 ARG HA H 29 3.223 3.223 3.984 -0.761 18514
111 1 . 1 1 22 22 ARG C C 29 177.619 177.619 174.481 3.138 18514
112 1 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.104 -3.274 18514
113 1 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.181 1.087 18514
114 1 . 1 1 22 22 ARG H H 29 7.880 7.880 7.849 0.031 18514
115 1 . 1 1 23 23 ASN N N 30 113.854 113.854 115.404 -1.550 18514
116 1 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.579 0.007 18514
117 1 . 1 1 23 23 ASN C C 30 174.972 174.972 175.703 -0.731 18514
118 1 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.617 -0.141 18514
119 1 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.354 0.999 18514
120 1 . 1 1 23 23 ASN H H 30 6.816 6.816 7.303 -0.487 18514
121 1 . 1 1 24 24 SER N N 31 113.788 113.788 114.323 -0.535 18514
122 1 . 1 1 24 24 SER HA H 31 4.172 4.172 4.411 -0.239 18514
123 1 . 1 1 24 24 SER C C 31 174.820 174.820 174.923 -0.103 18514
124 1 . 1 1 24 24 SER CA C 31 61.080 61.080 60.737 0.343 18514
125 1 . 1 1 24 24 SER CB C 31 63.425 63.425 62.778 0.647 18514
126 1 . 1 1 24 24 SER H H 31 8.873 8.873 8.734 0.139 18514
127 1 . 1 1 25 25 ARG N N 32 119.696 119.696 118.651 1.045 18514
128 1 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.418 -0.211 18514
129 1 . 1 1 25 25 ARG C C 32 175.482 175.482 176.156 -0.675 18514
130 1 . 1 1 25 25 ARG CA C 32 57.018 57.018 55.645 1.373 18514
131 1 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.462 -0.730 18514
132 1 . 1 1 25 25 ARG H H 32 8.104 8.104 8.091 0.013 18514
133 1 . 1 1 26 26 CYS N N 33 123.061 123.061 122.608 0.453 18514
134 1 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.975 -0.288 18514
135 1 . 1 1 26 26 CYS C C 33 173.064 173.064 173.831 -0.767 18514
136 1 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.961 -0.261 18514
137 1 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.399 3.555 18514
138 1 . 1 1 26 26 CYS H H 33 7.766 7.766 7.813 -0.047 18514
139 1 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.314 -0.022 18514
140 1 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.117 -0.851 18514
141 1 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.510 0.648 18514
142 1 . 1 1 28 28 CYS N N 35 129.050 129.050 115.975 13.075 18514
143 1 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.252 -0.622 18514
144 1 . 1 1 28 28 CYS C C 35 171.254 171.254 176.688 -5.434 18514
145 1 . 1 1 28 28 CYS CA C 35 62.585 62.585 62.983 -0.398 18514
146 1 . 1 1 28 28 CYS CB C 35 29.247 29.247 26.167 3.080 18514
147 1 . 1 1 28 28 CYS H H 35 8.368 8.368 7.947 0.421 18514
148 1 . 1 1 29 29 TYR N N 36 124.364 124.364 121.787 2.577 18514
149 1 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.055 0.005 18514
150 1 . 1 1 29 29 TYR C C 36 172.650 172.650 177.851 -5.201 18514
151 1 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.442 0.679 18514
152 1 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.350 -0.429 18514
153 1 . 1 1 29 29 TYR H H 36 8.197 8.197 7.831 0.366 18514
154 1 . 1 1 30 30 LYS N N 37 117.214 117.214 118.183 -0.969 18514
155 1 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.859 -0.080 18514
156 1 . 1 1 30 30 LYS C C 37 172.650 172.650 177.334 -4.684 18514
157 1 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.144 0.252 18514
158 1 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.279 0.353 18514
159 1 . 1 1 30 30 LYS H H 37 8.441 8.441 8.002 0.439 18514
160 1 . 1 1 31 31 SER N N 38 109.671 109.671 113.003 -3.332 18514
161 1 . 1 1 31 31 SER HA H 38 4.348 4.348 4.395 -0.047 18514
162 1 . 1 1 31 31 SER C C 38 173.566 173.566 173.624 -0.058 18514
163 1 . 1 1 31 31 SER CA C 38 56.469 56.469 58.190 -1.720 18514
164 1 . 1 1 31 31 SER CB C 38 63.461 63.461 63.658 -0.197 18514
165 1 . 1 1 31 31 SER H H 38 7.180 7.180 7.490 -0.310 18514
166 1 . 1 1 32 32 TYR N N 39 116.096 116.096 115.277 0.819 18514
167 1 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.494 -0.407 18514
168 1 . 1 1 32 32 TYR C C 39 176.728 176.728 174.226 2.502 18514
169 1 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.218 -0.602 18514
170 1 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.938 -0.388 18514
171 1 . 1 1 32 32 TYR H H 39 7.410 7.410 7.238 0.172 18514
172 1 . 1 1 33 33 ASN N N 40 116.549 116.549 117.040 -0.491 18514
173 1 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.982 0.021 18514
174 1 . 1 1 33 33 ASN C C 40 176.083 176.083 174.215 1.868 18514
175 1 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.398 -0.254 18514
176 1 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.519 2.035 18514
177 1 . 1 1 33 33 ASN H H 40 8.257 8.257 7.995 0.262 18514
178 1 . 1 1 34 34 SER N N 41 115.071 115.071 114.440 0.631 18514
179 1 . 1 1 34 34 SER HA H 41 4.477 4.477 4.862 -0.385 18514
180 1 . 1 1 34 34 SER C C 41 174.850 174.850 174.933 -0.083 18514
181 1 . 1 1 34 34 SER CA C 41 57.625 57.625 57.494 0.131 18514
182 1 . 1 1 34 34 SER CB C 41 65.000 65.000 65.007 -0.007 18514
183 1 . 1 1 34 34 SER H H 41 8.720 8.720 8.415 0.305 18514
184 1 . 1 1 35 35 CYS N N 42 115.950 115.950 121.402 -5.452 18514
185 1 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.708 0.972 18514
186 1 . 1 1 35 35 CYS C C 42 174.850 174.850 174.957 -0.107 18514
187 1 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.517 1.267 18514
188 1 . 1 1 35 35 CYS CB C 42 31.948 31.948 25.053 6.895 18514
189 1 . 1 1 35 35 CYS H H 42 8.696 8.696 8.989 -0.293 18514
190 1 . 1 1 36 36 ALA N N 43 124.417 124.417 125.729 -1.312 18514
191 1 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.401 -0.184 18514
192 1 . 1 1 36 36 ALA C C 43 173.572 173.572 177.269 -3.697 18514
193 1 . 1 1 36 36 ALA CA C 43 54.329 54.329 52.051 2.278 18514
194 1 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.785 -0.950 18514
195 1 . 1 1 36 36 ALA H H 43 8.002 8.002 7.895 0.107 18514
196 1 . 1 1 37 37 GLY N N 44 113.524 113.524 111.394 2.130 18514
197 1 . 1 1 37 37 GLY C C 44 170.263 170.263 174.297 -4.034 18514
198 1 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.862 0.855 18514
199 1 . 1 1 37 37 GLY H H 44 8.932 8.932 8.561 0.371 18514
200 1 . 1 1 38 38 CYS N N 45 120.184 120.184 118.393 1.791 18514
201 1 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.576 -0.500 18514
202 1 . 1 1 38 38 CYS C C 45 170.263 170.263 174.946 -4.683 18514
203 1 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.401 3.485 18514
204 1 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.010 4.612 18514
205 1 . 1 1 38 38 CYS H H 45 7.641 7.641 7.793 -0.152 18514
206 1 . 1 1 39 39 HIS N N 46 118.156 118.156 119.051 -0.895 18514
207 1 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.750 0.300 18514
208 1 . 1 1 39 39 HIS C C 46 174.223 174.223 175.017 -0.794 18514
209 1 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.677 -1.188 18514
210 1 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.769 -0.081 18514
211 1 . 1 1 39 39 HIS H H 46 8.234 8.234 8.869 -0.635 18514
212 1 . 1 1 40 40 CYS N N 47 118.354 118.354 117.178 1.176 18514
213 1 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.860 -0.038 18514
214 1 . 1 1 40 40 CYS C C 47 176.296 176.296 174.677 1.619 18514
215 1 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.833 -1.237 18514
216 1 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.745 5.493 18514
217 1 . 1 1 40 40 CYS H H 47 7.403 7.403 7.863 -0.460 18514
218 1 . 1 1 41 41 VAL N N 48 118.968 118.968 123.970 -5.002 18514
219 1 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.243 -0.012 18514
220 1 . 1 1 41 41 VAL C C 48 174.265 174.265 176.248 -1.983 18514
221 1 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.584 -0.353 18514
222 1 . 1 1 41 41 VAL CB C 48 34.698 34.698 33.172 1.526 18514
223 1 . 1 1 41 41 VAL H H 48 8.205 8.205 8.814 -0.609 18514
224 1 . 1 1 42 42 GLY N N 49 115.726 115.726 114.783 0.943 18514
225 1 . 1 1 42 42 GLY C C 49 174.223 174.223 173.972 0.251 18514
226 1 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.156 0.957 18514
227 1 . 1 1 42 42 GLY H H 49 8.634 8.634 8.644 -0.010 18514
228 1 . 1 1 43 43 CYS N N 50 119.917 119.917 119.453 0.464 18514
229 1 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.563 -1.406 18514
230 1 . 1 1 43 43 CYS C C 50 173.428 173.428 174.987 -1.559 18514
231 1 . 1 1 43 43 CYS CA C 50 63.346 63.346 57.694 5.652 18514
232 1 . 1 1 43 43 CYS CB C 50 33.126 33.126 27.068 6.058 18514
233 1 . 1 1 43 43 CYS H H 50 7.670 7.670 8.269 -0.599 18514
234 1 . 1 1 44 44 LYS N N 51 128.057 128.057 129.572 -1.515 18514
235 1 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.403 0.195 18514
236 1 . 1 1 44 44 LYS C C 51 171.776 171.776 174.833 -3.057 18514
237 1 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.819 -0.783 18514
238 1 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.299 -0.574 18514
239 1 . 1 1 44 44 LYS H H 51 7.934 7.934 8.305 -0.371 18514
240 1 . 1 1 45 45 ASN N N 52 125.259 125.259 122.966 2.293 18514
241 1 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.123 -0.356 18514
242 1 . 1 1 45 45 ASN C C 52 171.776 171.776 174.242 -2.466 18514
243 1 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.921 2.329 18514
244 1 . 1 1 45 45 ASN CB C 52 39.520 39.520 40.001 -0.481 18514
245 1 . 1 1 45 45 ASN H H 52 9.076 9.076 8.241 0.835 18514
246 1 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.337 0.126 18514
247 1 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.985 -0.853 18514
248 1 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.097 0.234 18514
249 1 . 1 1 47 47 HIS N N 54 121.186 121.186 119.091 2.095 18514
250 1 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.657 -0.143 18514
251 1 . 1 1 47 47 HIS C C 54 172.204 172.204 174.328 -2.124 18514
252 1 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.919 0.385 18514
253 1 . 1 1 47 47 HIS CB C 54 27.908 27.908 29.772 -1.864 18514
254 1 . 1 1 47 47 HIS H H 54 8.236 8.236 8.560 -0.324 18514
255 1 . 1 1 48 48 LYS N N 55 123.556 123.556 123.581 -0.025 18514
256 1 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.493 -0.032 18514
257 1 . 1 1 48 48 LYS C C 55 175.066 175.066 175.984 -0.918 18514
258 1 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.983 0.337 18514
259 1 . 1 1 48 48 LYS CB C 55 34.106 34.106 33.860 0.246 18514
260 1 . 1 1 48 48 LYS H H 55 8.470 8.470 8.153 0.317 18514
261 1 . 1 1 49 49 GLU N N 56 121.100 121.100 123.073 -1.973 18514
262 1 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.268 0.083 18514
263 1 . 1 1 49 49 GLU C C 56 173.210 173.210 175.793 -2.583 18514
264 1 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.592 -0.229 18514
265 1 . 1 1 49 49 GLU CB C 56 30.623 30.623 29.317 1.306 18514
266 1 . 1 1 49 49 GLU H H 56 8.523 8.523 8.540 -0.017 18514
267 1 . 1 1 50 50 ASP N N 57 121.579 121.579 124.332 -2.753 18514
268 1 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.598 0.071 18514
269 1 . 1 1 50 50 ASP C C 57 173.845 173.845 175.266 -1.421 18514
270 1 . 1 1 50 50 ASP CA C 57 54.291 54.291 54.310 -0.019 18514
271 1 . 1 1 50 50 ASP CB C 57 41.452 41.452 41.485 -0.033 18514
272 1 . 1 1 50 50 ASP H H 57 8.396 8.396 8.389 0.007 18514
273 1 . 1 1 51 51 TYR N N 58 120.844 120.844 122.767 -1.923 18514
274 1 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.681 -0.164 18514
275 1 . 1 1 51 51 TYR C C 58 173.968 173.968 174.843 -0.875 18514
276 1 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.542 0.254 18514
277 1 . 1 1 51 51 TYR CB C 58 38.958 38.958 38.624 0.334 18514
278 1 . 1 1 51 51 TYR H H 58 8.176 8.176 8.176 0.001 18514
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