data_25836
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25836
_Entry.PDB_ID 2N86
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 25836
_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 THR N N 2 112.683 112.683 116.634 -3.951 25836
2 1 1 . 1 1 2 2 THR HA H 2 4.483 4.483 4.251 0.232 25836
3 1 1 . 1 1 2 2 THR H H 2 8.031 8.031 8.005 0.026 25836
4 1 1 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.464 -0.152 25836
5 1 1 . 1 1 3 3 PRO CA C 3 51.149 51.149 62.434 -11.285 25836
6 1 1 . 1 1 3 3 PRO CB C 3 29.323 29.323 32.598 -3.275 25836
7 1 1 . 1 1 4 4 VAL N N 4 120.622 120.622 120.457 0.165 25836
8 1 1 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.310 -0.040 25836
9 1 1 . 1 1 4 4 VAL CA C 4 58.505 58.505 61.566 -3.061 25836
10 1 1 . 1 1 4 4 VAL CB C 4 31.307 31.307 32.544 -1.237 25836
11 1 1 . 1 1 4 4 VAL H H 4 8.113 8.113 8.176 -0.063 25836
12 1 1 . 1 1 5 5 GLY N N 5 115.132 115.132 115.068 0.064 25836
13 1 1 . 1 1 5 5 GLY CA C 5 44.133 44.133 45.175 -1.042 25836
14 1 1 . 1 1 5 5 GLY H H 5 8.736 8.736 8.784 -0.048 25836
15 1 1 . 1 1 6 6 ASN N N 6 123.501 123.501 118.870 4.631 25836
16 1 1 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.658 0.070 25836
17 1 1 . 1 1 6 6 ASN CA C 6 50.698 50.698 53.380 -2.682 25836
18 1 1 . 1 1 6 6 ASN CB C 6 36.797 36.797 39.776 -2.978 25836
19 1 1 . 1 1 6 6 ASN H H 6 9.148 9.148 8.723 0.425 25836
20 1 1 . 1 1 7 7 ASN N N 7 118.968 118.968 118.954 0.014 25836
21 1 1 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.766 0.529 25836
22 1 1 . 1 1 7 7 ASN CA C 7 51.671 51.671 54.124 -2.453 25836
23 1 1 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.249 1.352 25836
24 1 1 . 1 1 7 7 ASN H H 7 8.515 8.515 8.395 0.120 25836
25 1 1 . 1 1 8 8 LYS N N 8 123.142 123.142 122.693 0.449 25836
26 1 1 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.265 -0.456 25836
27 1 1 . 1 1 8 8 LYS CA C 8 55.264 55.264 57.288 -2.024 25836
28 1 1 . 1 1 8 8 LYS CB C 8 29.383 29.383 33.056 -3.673 25836
29 1 1 . 1 1 8 8 LYS H H 8 9.294 9.294 8.631 0.663 25836
30 1 1 . 1 1 9 9 CYS N N 9 111.161 111.161 118.736 -7.575 25836
31 1 1 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.262 -0.192 25836
32 1 1 . 1 1 9 9 CYS CA C 9 51.847 51.847 59.195 -7.348 25836
33 1 1 . 1 1 9 9 CYS CB C 9 32.263 32.263 24.995 7.268 25836
34 1 1 . 1 1 9 9 CYS H H 9 6.690 6.690 8.071 -1.381 25836
35 1 1 . 1 1 10 10 TRP N N 10 119.159 119.159 125.702 -6.543 25836
36 1 1 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.435 0.502 25836
37 1 1 . 1 1 10 10 TRP CA C 10 53.032 53.032 57.596 -4.564 25836
38 1 1 . 1 1 10 10 TRP CB C 10 26.379 26.379 31.098 -4.719 25836
39 1 1 . 1 1 10 10 TRP H H 10 8.232 8.232 8.060 0.172 25836
40 1 1 . 1 1 11 11 ALA N N 11 119.150 119.150 122.139 -2.989 25836
41 1 1 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.268 0.084 25836
42 1 1 . 1 1 11 11 ALA CA C 11 49.381 49.381 51.484 -2.103 25836
43 1 1 . 1 1 11 11 ALA CB C 11 17.253 17.253 19.472 -2.219 25836
44 1 1 . 1 1 11 11 ALA H H 11 8.159 8.159 8.164 -0.005 25836
45 1 1 . 1 1 12 12 ILE N N 12 121.974 121.974 123.925 -1.951 25836
46 1 1 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.706 -0.107 25836
47 1 1 . 1 1 12 12 ILE CA C 12 59.657 59.657 61.894 -2.237 25836
48 1 1 . 1 1 12 12 ILE CB C 12 34.763 34.763 35.852 -1.089 25836
49 1 1 . 1 1 12 12 ILE H H 12 8.448 8.448 8.653 -0.205 25836
50 1 1 . 1 1 13 13 GLY N N 13 114.867 114.867 117.130 -2.263 25836
51 1 1 . 1 1 13 13 GLY CA C 13 41.954 41.954 45.031 -3.076 25836
52 1 1 . 1 1 13 13 GLY H H 13 9.649 9.649 8.915 0.734 25836
53 1 1 . 1 1 14 14 THR N N 14 118.155 118.155 117.564 0.591 25836
54 1 1 . 1 1 14 14 THR HA H 14 4.049 4.049 4.642 -0.593 25836
55 1 1 . 1 1 14 14 THR CA C 14 61.464 61.464 61.417 0.047 25836
56 1 1 . 1 1 14 14 THR CB C 14 67.426 67.426 69.942 -2.516 25836
57 1 1 . 1 1 14 14 THR H H 14 8.076 8.076 8.015 0.061 25836
58 1 1 . 1 1 15 15 THR N N 15 123.193 123.193 117.428 5.765 25836
59 1 1 . 1 1 15 15 THR HA H 15 4.824 4.824 4.610 0.214 25836
60 1 1 . 1 1 15 15 THR CA C 15 61.148 61.148 62.329 -1.181 25836
61 1 1 . 1 1 15 15 THR CB C 15 66.798 66.798 69.353 -2.555 25836
62 1 1 . 1 1 15 15 THR H H 15 8.498 8.498 8.416 0.082 25836
63 1 1 . 1 1 16 16 CYS N N 16 119.932 119.932 122.114 -2.182 25836
64 1 1 . 1 1 16 16 CYS HA H 16 5.510 5.510 4.703 0.807 25836
65 1 1 . 1 1 16 16 CYS CA C 16 50.274 50.274 56.617 -6.343 25836
66 1 1 . 1 1 16 16 CYS CB C 16 45.557 45.557 29.555 16.002 25836
67 1 1 . 1 1 16 16 CYS H H 16 8.384 8.384 7.992 0.392 25836
68 1 1 . 1 1 17 17 SER N N 17 114.553 114.553 118.005 -3.452 25836
69 1 1 . 1 1 17 17 SER HA H 17 4.676 4.676 4.532 0.144 25836
70 1 1 . 1 1 17 17 SER CA C 17 56.391 56.391 57.812 -1.421 25836
71 1 1 . 1 1 17 17 SER CB C 17 62.251 62.251 63.846 -1.595 25836
72 1 1 . 1 1 17 17 SER H H 17 9.853 9.853 8.471 1.382 25836
73 1 1 . 1 1 18 18 ASP N N 18 119.019 119.019 120.568 -1.549 25836
74 1 1 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.317 0.313 25836
75 1 1 . 1 1 18 18 ASP CA C 18 50.649 50.649 55.494 -4.845 25836
76 1 1 . 1 1 18 18 ASP CB C 18 41.339 41.339 40.648 0.691 25836
77 1 1 . 1 1 18 18 ASP H H 18 7.767 7.767 8.150 -0.383 25836
78 1 1 . 1 1 19 19 ASP N N 19 121.627 121.627 118.065 3.562 25836
79 1 1 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.292 -0.046 25836
80 1 1 . 1 1 19 19 ASP CA C 19 55.706 55.706 55.190 0.516 25836
81 1 1 . 1 1 19 19 ASP CB C 19 37.099 37.099 39.730 -2.631 25836
82 1 1 . 1 1 19 19 ASP H H 19 8.916 8.916 8.604 0.312 25836
83 1 1 . 1 1 20 20 CYS N N 20 117.427 117.427 114.271 3.156 25836
84 1 1 . 1 1 20 20 CYS HA H 20 4.689 4.689 4.091 0.598 25836
85 1 1 . 1 1 20 20 CYS CA C 20 52.798 52.798 59.741 -6.943 25836
86 1 1 . 1 1 20 20 CYS CB C 20 36.331 36.331 25.962 10.368 25836
87 1 1 . 1 1 20 20 CYS H H 20 9.308 9.308 8.613 0.695 25836
88 1 1 . 1 1 21 21 ASP N N 21 120.031 120.031 120.643 -0.612 25836
89 1 1 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.292 -0.564 25836
90 1 1 . 1 1 21 21 ASP CA C 21 53.926 53.926 57.717 -3.791 25836
91 1 1 . 1 1 21 21 ASP CB C 21 39.032 39.032 40.805 -1.773 25836
92 1 1 . 1 1 21 21 ASP H H 21 7.897 7.897 8.143 -0.246 25836
93 1 1 . 1 1 22 22 CYS N N 22 112.949 112.949 117.524 -4.575 25836
94 1 1 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.604 0.670 25836
95 1 1 . 1 1 22 22 CYS CA C 22 48.641 48.641 58.575 -9.934 25836
96 1 1 . 1 1 22 22 CYS CB C 22 36.172 36.172 28.857 7.315 25836
97 1 1 . 1 1 22 22 CYS H H 22 7.120 7.120 7.817 -0.697 25836
98 1 1 . 1 1 23 23 CYS N N 23 124.612 124.612 122.054 2.558 25836
99 1 1 . 1 1 23 23 CYS H H 23 11.256 11.256 8.843 2.413 25836
100 1 1 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.322 -0.276 25836
101 1 1 . 1 1 24 24 PRO CA C 24 63.522 63.522 65.097 -1.575 25836
102 1 1 . 1 1 24 24 PRO CB C 24 37.298 37.298 32.349 4.949 25836
103 1 1 . 1 1 25 25 GLU N N 25 114.549 114.549 116.529 -1.980 25836
104 1 1 . 1 1 25 25 GLU HA H 25 4.355 4.355 4.042 0.313 25836
105 1 1 . 1 1 25 25 GLU CA C 25 54.444 54.444 58.837 -4.393 25836
106 1 1 . 1 1 25 25 GLU CB C 25 25.751 25.751 29.745 -3.994 25836
107 1 1 . 1 1 25 25 GLU H H 25 9.041 9.041 8.870 0.171 25836
108 1 1 . 1 1 26 26 HIS N N 26 123.352 123.352 114.358 8.994 25836
109 1 1 . 1 1 26 26 HIS HA H 26 5.408 5.408 5.305 0.103 25836
110 1 1 . 1 1 26 26 HIS CA C 26 50.399 50.399 56.145 -5.746 25836
111 1 1 . 1 1 26 26 HIS CB C 26 33.143 33.143 31.916 1.227 25836
112 1 1 . 1 1 26 26 HIS H H 26 8.118 8.118 7.853 0.265 25836
113 1 1 . 1 1 27 27 HIS N N 27 112.923 112.923 117.541 -4.618 25836
114 1 1 . 1 1 27 27 HIS HA H 27 4.644 4.644 4.953 -0.309 25836
115 1 1 . 1 1 27 27 HIS CA C 27 52.622 52.622 55.467 -2.845 25836
116 1 1 . 1 1 27 27 HIS CB C 27 28.231 28.231 33.676 -5.445 25836
117 1 1 . 1 1 27 27 HIS H H 27 9.365 9.365 9.145 0.220 25836
118 1 1 . 1 1 28 28 CYS N N 28 121.103 121.103 121.507 -0.404 25836
119 1 1 . 1 1 28 28 CYS HA H 28 4.803 4.803 4.872 -0.069 25836
120 1 1 . 1 1 28 28 CYS CA C 28 52.733 52.733 58.200 -5.467 25836
121 1 1 . 1 1 28 28 CYS CB C 28 34.784 34.784 26.715 8.069 25836
122 1 1 . 1 1 28 28 CYS H H 28 9.499 9.499 8.012 1.487 25836
123 1 1 . 1 1 29 29 HIS N N 29 132.381 132.381 126.070 6.311 25836
124 1 1 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.594 -0.070 25836
125 1 1 . 1 1 29 29 HIS CA C 29 53.855 53.855 55.986 -2.131 25836
126 1 1 . 1 1 29 29 HIS CB C 29 28.973 28.973 31.583 -2.610 25836
127 1 1 . 1 1 29 29 HIS H H 29 8.938 8.938 8.954 -0.016 25836
128 1 1 . 1 1 30 30 CYS N N 30 127.165 127.165 127.614 -0.449 25836
129 1 1 . 1 1 30 30 CYS HA H 30 5.146 5.146 4.773 0.373 25836
130 1 1 . 1 1 30 30 CYS CA C 30 48.824 48.824 56.565 -7.740 25836
131 1 1 . 1 1 30 30 CYS CB C 30 41.470 41.470 26.111 15.359 25836
132 1 1 . 1 1 30 30 CYS H H 30 8.400 8.400 9.105 -0.705 25836
133 1 1 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.320 -0.044 25836
134 1 1 . 1 1 31 31 PRO CA C 31 60.702 60.702 62.846 -2.144 25836
135 1 1 . 1 1 31 31 PRO CB C 31 29.441 29.441 32.503 -3.062 25836
136 1 1 . 1 1 32 32 ALA N N 32 122.630 122.630 119.742 2.888 25836
137 1 1 . 1 1 32 32 ALA HA H 32 4.430 4.430 4.470 -0.040 25836
138 1 1 . 1 1 32 32 ALA CA C 32 49.453 49.453 51.412 -1.959 25836
139 1 1 . 1 1 32 32 ALA CB C 32 16.936 16.936 21.322 -4.386 25836
140 1 1 . 1 1 32 32 ALA H H 32 8.367 8.367 7.942 0.425 25836
141 1 1 . 1 1 33 33 GLY N N 33 107.375 107.375 107.385 -0.010 25836
142 1 1 . 1 1 33 33 GLY CA C 33 42.443 42.443 44.780 -2.337 25836
143 1 1 . 1 1 33 33 GLY H H 33 8.097 8.097 8.328 -0.231 25836
144 1 1 . 1 1 34 34 LYS N N 34 119.653 119.653 122.835 -3.182 25836
145 1 1 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.241 0.073 25836
146 1 1 . 1 1 34 34 LYS CA C 34 61.156 61.156 55.861 5.295 25836
147 1 1 . 1 1 34 34 LYS CB C 34 30.378 30.378 33.549 -3.171 25836
148 1 1 . 1 1 34 34 LYS H H 34 7.852 7.852 8.482 -0.630 25836
149 1 1 . 1 1 35 35 TRP N N 35 122.428 122.428 121.442 0.986 25836
150 1 1 . 1 1 35 35 TRP CB C 35 27.248 27.248 28.497 -1.249 25836
151 1 1 . 1 1 35 35 TRP H H 35 8.130 8.130 8.234 -0.104 25836
152 1 1 . 1 1 36 36 LEU N N 36 125.209 125.209 121.725 3.484 25836
153 1 1 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.960 0.589 25836
154 1 1 . 1 1 36 36 LEU CA C 36 50.156 50.156 54.614 -4.458 25836
155 1 1 . 1 1 36 36 LEU CB C 36 40.225 40.225 40.669 -0.444 25836
156 1 1 . 1 1 36 36 LEU H H 36 7.460 7.460 7.920 -0.460 25836
157 1 1 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.389 -0.088 25836
158 1 1 . 1 1 37 37 PRO CA C 37 56.645 56.645 63.002 -6.357 25836
159 1 1 . 1 1 38 38 GLY N N 38 109.686 109.686 110.549 -0.863 25836
160 1 1 . 1 1 38 38 GLY CA C 38 42.884 42.884 44.935 -2.051 25836
161 1 1 . 1 1 38 38 GLY H H 38 8.480 8.480 8.482 -0.002 25836
162 1 1 . 1 1 39 39 LEU N N 39 121.083 121.083 117.740 3.343 25836
163 1 1 . 1 1 39 39 LEU HA H 39 4.360 4.360 4.443 -0.083 25836
164 1 1 . 1 1 39 39 LEU CA C 39 52.798 52.798 54.629 -1.831 25836
165 1 1 . 1 1 39 39 LEU CB C 39 40.369 40.369 42.363 -1.994 25836
166 1 1 . 1 1 39 39 LEU H H 39 7.847 7.847 7.367 0.480 25836
167 1 1 . 1 1 40 40 PHE N N 40 118.886 118.886 120.816 -1.930 25836
168 1 1 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.600 -0.026 25836
169 1 1 . 1 1 40 40 PHE CA C 40 54.489 54.489 57.595 -3.106 25836
170 1 1 . 1 1 40 40 PHE CB C 40 37.271 37.271 40.026 -2.755 25836
171 1 1 . 1 1 40 40 PHE H H 40 7.868 7.868 8.234 -0.366 25836
172 1 1 . 1 1 41 41 ARG N N 41 121.171 121.171 120.501 0.670 25836
173 1 1 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.282 0.134 25836
174 1 1 . 1 1 41 41 ARG CA C 41 52.974 52.974 56.389 -3.415 25836
175 1 1 . 1 1 41 41 ARG CB C 41 29.148 29.148 30.845 -1.697 25836
176 1 1 . 1 1 41 41 ARG H H 41 7.888 7.888 8.452 -0.564 25836
177 1 1 . 1 1 42 42 CYS N N 42 123.035 123.035 117.471 5.564 25836
178 1 1 . 1 1 42 42 CYS HA H 42 5.446 5.446 5.026 0.420 25836
179 1 1 . 1 1 42 42 CYS CA C 42 53.979 53.979 57.712 -3.733 25836
180 1 1 . 1 1 42 42 CYS CB C 42 45.543 45.543 28.481 17.062 25836
181 1 1 . 1 1 42 42 CYS H H 42 8.731 8.731 8.494 0.237 25836
182 1 1 . 1 1 43 43 THR N N 43 111.223 111.223 111.119 0.104 25836
183 1 1 . 1 1 43 43 THR HA H 43 5.402 5.402 4.907 0.495 25836
184 1 1 . 1 1 43 43 THR CA C 43 57.581 57.581 59.706 -2.125 25836
185 1 1 . 1 1 43 43 THR CB C 43 71.715 71.715 70.921 0.794 25836
186 1 1 . 1 1 43 43 THR H H 43 8.659 8.659 8.770 -0.111 25836
187 1 1 . 1 1 44 44 CYS N N 44 120.754 120.754 124.095 -3.341 25836
188 1 1 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.250 0.079 25836
189 1 1 . 1 1 44 44 CYS CA C 44 52.398 52.398 58.758 -6.360 25836
190 1 1 . 1 1 44 44 CYS CB C 44 36.766 36.766 27.311 9.455 25836
191 1 1 . 1 1 44 44 CYS H H 44 8.404 8.404 8.862 -0.458 25836
192 1 1 . 1 1 45 45 GLN N N 45 121.589 121.589 125.920 -4.331 25836
193 1 1 . 1 1 45 45 GLN HA H 45 4.695 4.695 4.756 -0.061 25836
194 1 1 . 1 1 45 45 GLN CA C 45 51.495 51.495 53.764 -2.268 25836
195 1 1 . 1 1 45 45 GLN CB C 45 31.136 31.136 32.945 -1.809 25836
196 1 1 . 1 1 45 45 GLN H H 45 9.247 9.247 9.032 0.215 25836
197 1 1 . 1 1 46 46 VAL N N 46 119.594 119.594 123.158 -3.564 25836
198 1 1 . 1 1 46 46 VAL HA H 46 4.149 4.149 3.442 0.707 25836
199 1 1 . 1 1 46 46 VAL CA C 46 61.358 61.358 63.570 -2.212 25836
200 1 1 . 1 1 46 46 VAL CB C 46 29.629 29.629 32.157 -2.527 25836
201 1 1 . 1 1 46 46 VAL H H 46 8.703 8.703 8.797 -0.094 25836
202 1 1 . 1 1 47 47 THR N N 47 118.278 118.278 119.285 -1.007 25836
203 1 1 . 1 1 47 47 THR HA H 47 4.169 4.169 4.640 -0.471 25836
204 1 1 . 1 1 47 47 THR CA C 47 59.491 59.491 60.856 -1.365 25836
205 1 1 . 1 1 47 47 THR CB C 47 66.789 66.789 71.419 -4.630 25836
206 1 1 . 1 1 47 47 THR H H 47 8.002 8.002 8.323 -0.321 25836
207 1 1 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.350 0.112 25836
208 1 1 . 1 1 49 49 SER N N 49 114.478 114.478 115.940 -1.462 25836
209 1 1 . 1 1 49 49 SER HA H 49 4.291 4.291 4.374 -0.083 25836
210 1 1 . 1 1 49 49 SER CA C 49 51.081 51.081 58.518 -7.437 25836
211 1 1 . 1 1 49 49 SER CB C 49 60.846 60.846 63.680 -2.834 25836
212 1 1 . 1 1 49 49 SER H H 49 8.304 8.304 8.123 0.181 25836
213 1 1 . 1 1 50 50 ASP N N 50 118.750 118.750 120.523 -1.773 25836
214 1 1 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.558 0.023 25836
215 1 1 . 1 1 50 50 ASP CA C 50 51.426 51.426 55.603 -4.177 25836
216 1 1 . 1 1 50 50 ASP CB C 50 37.727 37.727 41.156 -3.429 25836
217 1 1 . 1 1 50 50 ASP H H 50 8.469 8.469 8.490 -0.021 25836
218 1 1 . 1 1 51 51 LYS N N 51 120.789 120.789 120.751 0.038 25836
219 1 1 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.252 0.207 25836
220 1 1 . 1 1 51 51 LYS CA C 51 52.869 52.869 55.759 -2.890 25836
221 1 1 . 1 1 51 51 LYS CB C 51 26.190 26.190 32.361 -6.171 25836
222 1 1 . 1 1 51 51 LYS H H 51 7.824 7.824 7.757 0.067 25836
223 1 1 . 1 1 52 52 VAL N N 52 116.071 116.071 118.282 -2.211 25836
224 1 1 . 1 1 52 52 VAL HA H 52 4.303 4.303 3.824 0.479 25836
225 1 1 . 1 1 52 52 VAL CA C 52 57.941 57.941 58.095 -0.154 25836
226 1 1 . 1 1 52 52 VAL CB C 52 31.464 31.464 33.574 -2.110 25836
227 1 1 . 1 1 52 52 VAL H H 52 7.653 7.653 7.555 0.098 25836
228 1 1 . 1 1 53 53 ASN N N 53 123.498 123.498 118.904 4.594 25836
229 1 1 . 1 1 53 53 ASN HA H 53 4.374 4.374 4.817 -0.443 25836
230 1 1 . 1 1 53 53 ASN CA C 53 52.763 52.763 54.013 -1.250 25836
231 1 1 . 1 1 53 53 ASN CB C 53 37.419 37.419 39.578 -2.159 25836
232 1 1 . 1 1 53 53 ASN H H 53 8.495 8.495 8.212 0.283 25836
233 1 1 . 1 1 54 54 LYS N N 54 127.289 127.289 122.351 4.938 25836
234 1 1 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.100 0.244 25836
235 1 1 . 1 1 54 54 LYS CA C 54 53.397 53.397 57.812 -4.415 25836
236 1 1 . 1 1 54 54 LYS CB C 54 29.422 29.422 32.049 -2.627 25836
237 1 1 . 1 1 54 54 LYS H H 54 10.155 10.155 8.466 1.689 25836
238 1 1 . 1 1 55 55 CYS N N 55 124.019 124.019 119.855 4.164 25836
239 1 1 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.568 0.121 25836
240 1 1 . 1 1 55 55 CYS CA C 55 52.235 52.235 57.778 -5.543 25836
241 1 1 . 1 1 55 55 CYS CB C 55 40.134 40.134 26.820 13.314 25836
242 1 1 . 1 1 55 55 CYS H H 55 8.698 8.698 7.988 0.710 25836
243 1 1 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.350 0.239 25836
244 1 1 . 1 1 57 57 PRO CB C 57 29.744 29.744 32.189 -2.445 25836
245 1 1 . 1 1 58 58 ALA N N 58 123.825 123.825 120.184 3.641 25836
246 1 1 . 1 1 58 58 ALA HA H 58 4.351 4.351 4.481 -0.130 25836
247 1 1 . 1 1 58 58 ALA CA C 58 49.557 49.557 52.102 -2.545 25836
248 1 1 . 1 1 58 58 ALA CB C 58 16.910 16.910 20.348 -3.438 25836
249 1 1 . 1 1 58 58 ALA H H 58 8.426 8.426 8.055 0.371 25836
250 1 2 . 1 1 2 2 THR N N 2 112.683 112.683 117.231 -4.548 25836
251 1 2 . 1 1 2 2 THR HA H 2 4.483 4.483 4.681 -0.198 25836
252 1 2 . 1 1 2 2 THR H H 2 8.031 8.031 8.394 -0.363 25836
253 1 2 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.643 -0.331 25836
254 1 2 . 1 1 3 3 PRO CA C 3 51.149 51.149 62.538 -11.389 25836
255 1 2 . 1 1 3 3 PRO CB C 3 29.323 29.323 32.656 -3.333 25836
256 1 2 . 1 1 4 4 VAL N N 4 120.622 120.622 118.778 1.844 25836
257 1 2 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.303 -0.033 25836
258 1 2 . 1 1 4 4 VAL CA C 4 58.505 58.505 61.215 -2.710 25836
259 1 2 . 1 1 4 4 VAL CB C 4 31.307 31.307 33.265 -1.958 25836
260 1 2 . 1 1 4 4 VAL H H 4 8.113 8.113 8.186 -0.073 25836
261 1 2 . 1 1 5 5 GLY N N 5 115.132 115.132 113.357 1.775 25836
262 1 2 . 1 1 5 5 GLY CA C 5 44.133 44.133 44.947 -0.814 25836
263 1 2 . 1 1 5 5 GLY H H 5 8.736 8.736 8.511 0.225 25836
264 1 2 . 1 1 6 6 ASN N N 6 123.501 123.501 119.675 3.826 25836
265 1 2 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.487 0.241 25836
266 1 2 . 1 1 6 6 ASN CA C 6 50.698 50.698 54.136 -3.438 25836
267 1 2 . 1 1 6 6 ASN CB C 6 36.797 36.797 39.037 -2.240 25836
268 1 2 . 1 1 6 6 ASN H H 6 9.148 9.148 8.914 0.234 25836
269 1 2 . 1 1 7 7 ASN N N 7 118.968 118.968 117.913 1.055 25836
270 1 2 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.762 0.533 25836
271 1 2 . 1 1 7 7 ASN CA C 7 51.671 51.671 54.174 -2.503 25836
272 1 2 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.293 1.308 25836
273 1 2 . 1 1 7 7 ASN H H 7 8.515 8.515 8.260 0.255 25836
274 1 2 . 1 1 8 8 LYS N N 8 123.142 123.142 122.380 0.762 25836
275 1 2 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.137 -0.328 25836
276 1 2 . 1 1 8 8 LYS CA C 8 55.264 55.264 57.648 -2.385 25836
277 1 2 . 1 1 8 8 LYS CB C 8 29.383 29.383 32.718 -3.336 25836
278 1 2 . 1 1 8 8 LYS H H 8 9.294 9.294 8.654 0.640 25836
279 1 2 . 1 1 9 9 CYS N N 9 111.161 111.161 118.364 -7.203 25836
280 1 2 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.230 -0.160 25836
281 1 2 . 1 1 9 9 CYS CA C 9 51.847 51.847 59.085 -7.238 25836
282 1 2 . 1 1 9 9 CYS CB C 9 32.263 32.263 25.345 6.918 25836
283 1 2 . 1 1 9 9 CYS H H 9 6.690 6.690 8.043 -1.353 25836
284 1 2 . 1 1 10 10 TRP N N 10 119.159 119.159 125.967 -6.808 25836
285 1 2 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.484 0.453 25836
286 1 2 . 1 1 10 10 TRP CA C 10 53.032 53.032 57.798 -4.766 25836
287 1 2 . 1 1 10 10 TRP CB C 10 26.379 26.379 30.342 -3.963 25836
288 1 2 . 1 1 10 10 TRP H H 10 8.232 8.232 8.400 -0.168 25836
289 1 2 . 1 1 11 11 ALA N N 11 119.150 119.150 122.369 -3.219 25836
290 1 2 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.409 -0.057 25836
291 1 2 . 1 1 11 11 ALA CA C 11 49.381 49.381 51.682 -2.301 25836
292 1 2 . 1 1 11 11 ALA CB C 11 17.253 17.253 19.748 -2.495 25836
293 1 2 . 1 1 11 11 ALA H H 11 8.159 8.159 8.693 -0.534 25836
294 1 2 . 1 1 12 12 ILE N N 12 121.974 121.974 123.492 -1.518 25836
295 1 2 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.968 -0.369 25836
296 1 2 . 1 1 12 12 ILE CA C 12 59.657 59.657 63.093 -3.436 25836
297 1 2 . 1 1 12 12 ILE CB C 12 34.763 34.763 36.862 -2.099 25836
298 1 2 . 1 1 12 12 ILE H H 12 8.448 8.448 8.772 -0.324 25836
299 1 2 . 1 1 13 13 GLY N N 13 114.867 114.867 116.277 -1.410 25836
300 1 2 . 1 1 13 13 GLY CA C 13 41.954 41.954 44.747 -2.793 25836
301 1 2 . 1 1 13 13 GLY H H 13 9.649 9.649 8.930 0.719 25836
302 1 2 . 1 1 14 14 THR N N 14 118.155 118.155 117.712 0.443 25836
303 1 2 . 1 1 14 14 THR HA H 14 4.049 4.049 4.690 -0.641 25836
304 1 2 . 1 1 14 14 THR CA C 14 61.464 61.464 61.106 0.358 25836
305 1 2 . 1 1 14 14 THR CB C 14 67.426 67.426 69.827 -2.401 25836
306 1 2 . 1 1 14 14 THR H H 14 8.076 8.076 7.985 0.091 25836
307 1 2 . 1 1 15 15 THR N N 15 123.193 123.193 113.746 9.447 25836
308 1 2 . 1 1 15 15 THR HA H 15 4.824 4.824 4.465 0.359 25836
309 1 2 . 1 1 15 15 THR CA C 15 61.148 61.148 62.858 -1.710 25836
310 1 2 . 1 1 15 15 THR CB C 15 66.798 66.798 69.933 -3.136 25836
311 1 2 . 1 1 15 15 THR H H 15 8.498 8.498 8.117 0.381 25836
312 1 2 . 1 1 16 16 CYS N N 16 119.932 119.932 118.576 1.356 25836
313 1 2 . 1 1 16 16 CYS HA H 16 5.510 5.510 4.503 1.007 25836
314 1 2 . 1 1 16 16 CYS CA C 16 50.274 50.274 56.393 -6.119 25836
315 1 2 . 1 1 16 16 CYS CB C 16 45.557 45.557 30.428 15.129 25836
316 1 2 . 1 1 16 16 CYS H H 16 8.384 8.384 8.301 0.083 25836
317 1 2 . 1 1 17 17 SER N N 17 114.553 114.553 115.335 -0.782 25836
318 1 2 . 1 1 17 17 SER HA H 17 4.676 4.676 4.511 0.165 25836
319 1 2 . 1 1 17 17 SER CA C 17 56.391 56.391 57.866 -1.475 25836
320 1 2 . 1 1 17 17 SER CB C 17 62.251 62.251 63.891 -1.640 25836
321 1 2 . 1 1 17 17 SER H H 17 9.853 9.853 8.528 1.325 25836
322 1 2 . 1 1 18 18 ASP N N 18 119.019 119.019 121.262 -2.243 25836
323 1 2 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.292 0.338 25836
324 1 2 . 1 1 18 18 ASP CA C 18 50.649 50.649 55.829 -5.180 25836
325 1 2 . 1 1 18 18 ASP CB C 18 41.339 41.339 39.821 1.518 25836
326 1 2 . 1 1 18 18 ASP H H 18 7.767 7.767 8.050 -0.283 25836
327 1 2 . 1 1 19 19 ASP N N 19 121.627 121.627 118.485 3.142 25836
328 1 2 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.350 -0.104 25836
329 1 2 . 1 1 19 19 ASP CA C 19 55.706 55.706 55.305 0.401 25836
330 1 2 . 1 1 19 19 ASP CB C 19 37.099 37.099 39.966 -2.867 25836
331 1 2 . 1 1 19 19 ASP H H 19 8.916 8.916 8.720 0.196 25836
332 1 2 . 1 1 20 20 CYS N N 20 117.427 117.427 113.887 3.540 25836
333 1 2 . 1 1 20 20 CYS HA H 20 4.689 4.689 4.058 0.631 25836
334 1 2 . 1 1 20 20 CYS CA C 20 52.798 52.798 59.898 -7.099 25836
335 1 2 . 1 1 20 20 CYS CB C 20 36.331 36.331 26.161 10.170 25836
336 1 2 . 1 1 20 20 CYS H H 20 9.308 9.308 8.737 0.571 25836
337 1 2 . 1 1 21 21 ASP N N 21 120.031 120.031 120.250 -0.219 25836
338 1 2 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.511 -0.783 25836
339 1 2 . 1 1 21 21 ASP CA C 21 53.926 53.926 57.521 -3.595 25836
340 1 2 . 1 1 21 21 ASP CB C 21 39.032 39.032 41.184 -2.152 25836
341 1 2 . 1 1 21 21 ASP H H 21 7.897 7.897 8.110 -0.213 25836
342 1 2 . 1 1 22 22 CYS N N 22 112.949 112.949 114.560 -1.611 25836
343 1 2 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.635 0.639 25836
344 1 2 . 1 1 22 22 CYS CA C 22 48.641 48.641 59.704 -11.063 25836
345 1 2 . 1 1 22 22 CYS CB C 22 36.172 36.172 28.652 7.520 25836
346 1 2 . 1 1 22 22 CYS H H 22 7.120 7.120 7.998 -0.878 25836
347 1 2 . 1 1 23 23 CYS N N 23 124.612 124.612 121.553 3.059 25836
348 1 2 . 1 1 23 23 CYS H H 23 11.256 11.256 8.905 2.351 25836
349 1 2 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.345 -0.299 25836
350 1 2 . 1 1 24 24 PRO CA C 24 63.522 63.522 65.528 -2.006 25836
351 1 2 . 1 1 24 24 PRO CB C 24 37.298 37.298 32.015 5.283 25836
352 1 2 . 1 1 25 25 GLU N N 25 114.549 114.549 115.704 -1.155 25836
353 1 2 . 1 1 25 25 GLU HA H 25 4.355 4.355 4.096 0.259 25836
354 1 2 . 1 1 25 25 GLU CA C 25 54.444 54.444 58.409 -3.965 25836
355 1 2 . 1 1 25 25 GLU CB C 25 25.751 25.751 29.520 -3.769 25836
356 1 2 . 1 1 25 25 GLU H H 25 9.041 9.041 8.909 0.132 25836
357 1 2 . 1 1 26 26 HIS N N 26 123.352 123.352 114.557 8.795 25836
358 1 2 . 1 1 26 26 HIS HA H 26 5.408 5.408 5.491 -0.083 25836
359 1 2 . 1 1 26 26 HIS CA C 26 50.399 50.399 55.931 -5.532 25836
360 1 2 . 1 1 26 26 HIS CB C 26 33.143 33.143 32.372 0.771 25836
361 1 2 . 1 1 26 26 HIS H H 26 8.118 8.118 7.852 0.266 25836
362 1 2 . 1 1 27 27 HIS N N 27 112.923 112.923 117.254 -4.331 25836
363 1 2 . 1 1 27 27 HIS HA H 27 4.644 4.644 4.961 -0.317 25836
364 1 2 . 1 1 27 27 HIS CA C 27 52.622 52.622 55.445 -2.823 25836
365 1 2 . 1 1 27 27 HIS CB C 27 28.231 28.231 34.042 -5.811 25836
366 1 2 . 1 1 27 27 HIS H H 27 9.365 9.365 9.212 0.153 25836
367 1 2 . 1 1 28 28 CYS N N 28 121.103 121.103 120.380 0.723 25836
368 1 2 . 1 1 28 28 CYS HA H 28 4.803 4.803 5.002 -0.199 25836
369 1 2 . 1 1 28 28 CYS CA C 28 52.733 52.733 58.033 -5.300 25836
370 1 2 . 1 1 28 28 CYS CB C 28 34.784 34.784 25.722 9.062 25836
371 1 2 . 1 1 28 28 CYS H H 28 9.499 9.499 8.223 1.276 25836
372 1 2 . 1 1 29 29 HIS N N 29 132.381 132.381 124.499 7.882 25836
373 1 2 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.659 -0.135 25836
374 1 2 . 1 1 29 29 HIS CA C 29 53.855 53.855 56.892 -3.037 25836
375 1 2 . 1 1 29 29 HIS CB C 29 28.973 28.973 31.987 -3.014 25836
376 1 2 . 1 1 29 29 HIS H H 29 8.938 8.938 9.192 -0.254 25836
377 1 2 . 1 1 30 30 CYS N N 30 127.165 127.165 127.031 0.134 25836
378 1 2 . 1 1 30 30 CYS HA H 30 5.146 5.146 4.858 0.288 25836
379 1 2 . 1 1 30 30 CYS CA C 30 48.824 48.824 57.004 -8.180 25836
380 1 2 . 1 1 30 30 CYS CB C 30 41.470 41.470 27.366 14.104 25836
381 1 2 . 1 1 30 30 CYS H H 30 8.400 8.400 8.592 -0.192 25836
382 1 2 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.566 -0.290 25836
383 1 2 . 1 1 31 31 PRO CA C 31 60.702 60.702 62.764 -2.062 25836
384 1 2 . 1 1 31 31 PRO CB C 31 29.441 29.441 32.697 -3.256 25836
385 1 2 . 1 1 32 32 ALA N N 32 122.630 122.630 120.965 1.665 25836
386 1 2 . 1 1 32 32 ALA HA H 32 4.430 4.430 4.618 -0.188 25836
387 1 2 . 1 1 32 32 ALA CA C 32 49.453 49.453 51.894 -2.441 25836
388 1 2 . 1 1 32 32 ALA CB C 32 16.936 16.936 21.169 -4.233 25836
389 1 2 . 1 1 32 32 ALA H H 32 8.367 8.367 8.043 0.324 25836
390 1 2 . 1 1 33 33 GLY N N 33 107.375 107.375 109.740 -2.365 25836
391 1 2 . 1 1 33 33 GLY CA C 33 42.443 42.443 44.596 -2.153 25836
392 1 2 . 1 1 33 33 GLY H H 33 8.097 8.097 8.376 -0.279 25836
393 1 2 . 1 1 34 34 LYS N N 34 119.653 119.653 124.281 -4.628 25836
394 1 2 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.093 0.221 25836
395 1 2 . 1 1 34 34 LYS CA C 34 61.156 61.156 56.587 4.569 25836
396 1 2 . 1 1 34 34 LYS CB C 34 30.378 30.378 33.000 -2.622 25836
397 1 2 . 1 1 34 34 LYS H H 34 7.852 7.852 8.463 -0.611 25836
398 1 2 . 1 1 35 35 TRP N N 35 122.428 122.428 120.777 1.651 25836
399 1 2 . 1 1 35 35 TRP CB C 35 27.248 27.248 28.117 -0.869 25836
400 1 2 . 1 1 35 35 TRP H H 35 8.130 8.130 8.177 -0.047 25836
401 1 2 . 1 1 36 36 LEU N N 36 125.209 125.209 124.123 1.086 25836
402 1 2 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.999 0.550 25836
403 1 2 . 1 1 36 36 LEU CA C 36 50.156 50.156 55.049 -4.893 25836
404 1 2 . 1 1 36 36 LEU CB C 36 40.225 40.225 41.465 -1.240 25836
405 1 2 . 1 1 36 36 LEU H H 36 7.460 7.460 8.034 -0.574 25836
406 1 2 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.439 -0.138 25836
407 1 2 . 1 1 37 37 PRO CA C 37 56.645 56.645 62.708 -6.063 25836
408 1 2 . 1 1 38 38 GLY N N 38 109.686 109.686 106.243 3.443 25836
409 1 2 . 1 1 38 38 GLY CA C 38 42.884 42.884 44.877 -1.993 25836
410 1 2 . 1 1 38 38 GLY H H 38 8.480 8.480 8.186 0.294 25836
411 1 2 . 1 1 39 39 LEU N N 39 121.083 121.083 121.973 -0.890 25836
412 1 2 . 1 1 39 39 LEU HA H 39 4.360 4.360 4.466 -0.106 25836
413 1 2 . 1 1 39 39 LEU CA C 39 52.798 52.798 54.501 -1.703 25836
414 1 2 . 1 1 39 39 LEU CB C 39 40.369 40.369 41.088 -0.719 25836
415 1 2 . 1 1 39 39 LEU H H 39 7.847 7.847 7.963 -0.116 25836
416 1 2 . 1 1 40 40 PHE N N 40 118.886 118.886 124.449 -5.563 25836
417 1 2 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.550 0.024 25836
418 1 2 . 1 1 40 40 PHE CA C 40 54.489 54.489 57.603 -3.114 25836
419 1 2 . 1 1 40 40 PHE CB C 40 37.271 37.271 40.206 -2.935 25836
420 1 2 . 1 1 40 40 PHE H H 40 7.868 7.868 8.113 -0.245 25836
421 1 2 . 1 1 41 41 ARG N N 41 121.171 121.171 119.759 1.412 25836
422 1 2 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.202 0.214 25836
423 1 2 . 1 1 41 41 ARG CA C 41 52.974 52.974 56.214 -3.240 25836
424 1 2 . 1 1 41 41 ARG CB C 41 29.148 29.148 31.625 -2.477 25836
425 1 2 . 1 1 41 41 ARG H H 41 7.888 7.888 8.086 -0.198 25836
426 1 2 . 1 1 42 42 CYS N N 42 123.035 123.035 116.935 6.100 25836
427 1 2 . 1 1 42 42 CYS HA H 42 5.446 5.446 5.394 0.052 25836
428 1 2 . 1 1 42 42 CYS CA C 42 53.979 53.979 57.313 -3.334 25836
429 1 2 . 1 1 42 42 CYS CB C 42 45.543 45.543 29.675 15.868 25836
430 1 2 . 1 1 42 42 CYS H H 42 8.731 8.731 8.485 0.246 25836
431 1 2 . 1 1 43 43 THR N N 43 111.223 111.223 111.179 0.044 25836
432 1 2 . 1 1 43 43 THR HA H 43 5.402 5.402 4.869 0.533 25836
433 1 2 . 1 1 43 43 THR CA C 43 57.581 57.581 59.557 -1.976 25836
434 1 2 . 1 1 43 43 THR CB C 43 71.715 71.715 70.794 0.921 25836
435 1 2 . 1 1 43 43 THR H H 43 8.659 8.659 8.552 0.107 25836
436 1 2 . 1 1 44 44 CYS N N 44 120.754 120.754 124.368 -3.614 25836
437 1 2 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.257 0.072 25836
438 1 2 . 1 1 44 44 CYS CA C 44 52.398 52.398 59.018 -6.620 25836
439 1 2 . 1 1 44 44 CYS CB C 44 36.766 36.766 26.374 10.392 25836
440 1 2 . 1 1 44 44 CYS H H 44 8.404 8.404 8.810 -0.406 25836
441 1 2 . 1 1 45 45 GLN N N 45 121.589 121.589 126.053 -4.464 25836
442 1 2 . 1 1 45 45 GLN HA H 45 4.695 4.695 4.775 -0.080 25836
443 1 2 . 1 1 45 45 GLN CA C 45 51.495 51.495 54.539 -3.044 25836
444 1 2 . 1 1 45 45 GLN CB C 45 31.136 31.136 33.710 -2.574 25836
445 1 2 . 1 1 45 45 GLN H H 45 9.247 9.247 8.901 0.346 25836
446 1 2 . 1 1 46 46 VAL N N 46 119.594 119.594 121.513 -1.919 25836
447 1 2 . 1 1 46 46 VAL HA H 46 4.149 4.149 3.295 0.854 25836
448 1 2 . 1 1 46 46 VAL CA C 46 61.358 61.358 63.513 -2.155 25836
449 1 2 . 1 1 46 46 VAL CB C 46 29.629 29.629 32.223 -2.594 25836
450 1 2 . 1 1 46 46 VAL H H 46 8.703 8.703 8.752 -0.049 25836
451 1 2 . 1 1 47 47 THR N N 47 118.278 118.278 119.660 -1.382 25836
452 1 2 . 1 1 47 47 THR HA H 47 4.169 4.169 4.679 -0.510 25836
453 1 2 . 1 1 47 47 THR CA C 47 59.491 59.491 60.734 -1.244 25836
454 1 2 . 1 1 47 47 THR CB C 47 66.789 66.789 71.786 -4.997 25836
455 1 2 . 1 1 47 47 THR H H 47 8.002 8.002 8.130 -0.128 25836
456 1 2 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.287 0.175 25836
457 1 2 . 1 1 49 49 SER N N 49 114.478 114.478 115.776 -1.298 25836
458 1 2 . 1 1 49 49 SER HA H 49 4.291 4.291 4.301 -0.010 25836
459 1 2 . 1 1 49 49 SER CA C 49 51.081 51.081 58.879 -7.798 25836
460 1 2 . 1 1 49 49 SER CB C 49 60.846 60.846 63.792 -2.946 25836
461 1 2 . 1 1 49 49 SER H H 49 8.304 8.304 7.794 0.510 25836
462 1 2 . 1 1 50 50 ASP N N 50 118.750 118.750 117.740 1.010 25836
463 1 2 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.633 -0.052 25836
464 1 2 . 1 1 50 50 ASP CA C 50 51.426 51.426 54.515 -3.089 25836
465 1 2 . 1 1 50 50 ASP CB C 50 37.727 37.727 40.925 -3.198 25836
466 1 2 . 1 1 50 50 ASP H H 50 8.469 8.469 8.644 -0.175 25836
467 1 2 . 1 1 51 51 LYS N N 51 120.789 120.789 119.040 1.749 25836
468 1 2 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.367 0.092 25836
469 1 2 . 1 1 51 51 LYS CA C 51 52.869 52.869 55.230 -2.361 25836
470 1 2 . 1 1 51 51 LYS CB C 51 26.190 26.190 32.310 -6.120 25836
471 1 2 . 1 1 51 51 LYS H H 51 7.824 7.824 7.697 0.127 25836
472 1 2 . 1 1 52 52 VAL N N 52 116.071 116.071 115.679 0.392 25836
473 1 2 . 1 1 52 52 VAL HA H 52 4.303 4.303 2.936 1.367 25836
474 1 2 . 1 1 52 52 VAL CA C 52 57.941 57.941 61.047 -3.106 25836
475 1 2 . 1 1 52 52 VAL CB C 52 31.464 31.464 32.582 -1.118 25836
476 1 2 . 1 1 52 52 VAL H H 52 7.653 7.653 7.169 0.484 25836
477 1 2 . 1 1 53 53 ASN N N 53 123.498 123.498 118.742 4.756 25836
478 1 2 . 1 1 53 53 ASN HA H 53 4.374 4.374 4.659 -0.285 25836
479 1 2 . 1 1 53 53 ASN CA C 53 52.763 52.763 54.220 -1.457 25836
480 1 2 . 1 1 53 53 ASN CB C 53 37.419 37.419 38.582 -1.163 25836
481 1 2 . 1 1 53 53 ASN H H 53 8.495 8.495 8.250 0.245 25836
482 1 2 . 1 1 54 54 LYS N N 54 127.289 127.289 123.448 3.841 25836
483 1 2 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.143 0.201 25836
484 1 2 . 1 1 54 54 LYS CA C 54 53.397 53.397 57.582 -4.185 25836
485 1 2 . 1 1 54 54 LYS CB C 54 29.422 29.422 32.245 -2.823 25836
486 1 2 . 1 1 54 54 LYS H H 54 10.155 10.155 8.434 1.721 25836
487 1 2 . 1 1 55 55 CYS N N 55 124.019 124.019 121.694 2.325 25836
488 1 2 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.415 0.274 25836
489 1 2 . 1 1 55 55 CYS CA C 55 52.235 52.235 57.343 -5.107 25836
490 1 2 . 1 1 55 55 CYS CB C 55 40.134 40.134 26.633 13.501 25836
491 1 2 . 1 1 55 55 CYS H H 55 8.698 8.698 8.031 0.667 25836
492 1 2 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.440 0.149 25836
493 1 2 . 1 1 57 57 PRO CB C 57 29.744 29.744 32.088 -2.344 25836
494 1 2 . 1 1 58 58 ALA N N 58 123.825 123.825 121.063 2.762 25836
495 1 2 . 1 1 58 58 ALA HA H 58 4.351 4.351 4.427 -0.076 25836
496 1 2 . 1 1 58 58 ALA CA C 58 49.557 49.557 51.927 -2.370 25836
497 1 2 . 1 1 58 58 ALA CB C 58 16.910 16.910 19.512 -2.602 25836
498 1 2 . 1 1 58 58 ALA H H 58 8.426 8.426 8.227 0.199 25836
499 1 3 . 1 1 2 2 THR N N 2 112.683 112.683 115.241 -2.558 25836
500 1 3 . 1 1 2 2 THR HA H 2 4.483 4.483 4.590 -0.107 25836
501 1 3 . 1 1 2 2 THR H H 2 8.031 8.031 7.864 0.167 25836
502 1 3 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.573 -0.261 25836
503 1 3 . 1 1 3 3 PRO CA C 3 51.149 51.149 62.651 -11.502 25836
504 1 3 . 1 1 3 3 PRO CB C 3 29.323 29.323 32.262 -2.939 25836
505 1 3 . 1 1 4 4 VAL N N 4 120.622 120.622 115.511 5.111 25836
506 1 3 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.357 -0.087 25836
507 1 3 . 1 1 4 4 VAL CA C 4 58.505 58.505 61.415 -2.910 25836
508 1 3 . 1 1 4 4 VAL CB C 4 31.307 31.307 32.957 -1.650 25836
509 1 3 . 1 1 4 4 VAL H H 4 8.113 8.113 7.964 0.149 25836
510 1 3 . 1 1 5 5 GLY N N 5 115.132 115.132 110.791 4.341 25836
511 1 3 . 1 1 5 5 GLY CA C 5 44.133 44.133 44.830 -0.697 25836
512 1 3 . 1 1 5 5 GLY H H 5 8.736 8.736 8.573 0.163 25836
513 1 3 . 1 1 6 6 ASN N N 6 123.501 123.501 118.090 5.411 25836
514 1 3 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.620 0.108 25836
515 1 3 . 1 1 6 6 ASN CA C 6 50.698 50.698 52.686 -1.988 25836
516 1 3 . 1 1 6 6 ASN CB C 6 36.797 36.797 39.146 -2.349 25836
517 1 3 . 1 1 6 6 ASN H H 6 9.148 9.148 8.722 0.426 25836
518 1 3 . 1 1 7 7 ASN N N 7 118.968 118.968 117.863 1.105 25836
519 1 3 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.623 0.672 25836
520 1 3 . 1 1 7 7 ASN CA C 7 51.671 51.671 54.134 -2.463 25836
521 1 3 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.519 1.082 25836
522 1 3 . 1 1 7 7 ASN H H 7 8.515 8.515 8.088 0.427 25836
523 1 3 . 1 1 8 8 LYS N N 8 123.142 123.142 122.843 0.299 25836
524 1 3 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.036 -0.227 25836
525 1 3 . 1 1 8 8 LYS CA C 8 55.264 55.264 57.025 -1.761 25836
526 1 3 . 1 1 8 8 LYS CB C 8 29.383 29.383 32.829 -3.446 25836
527 1 3 . 1 1 8 8 LYS H H 8 9.294 9.294 8.527 0.767 25836
528 1 3 . 1 1 9 9 CYS N N 9 111.161 111.161 116.211 -5.050 25836
529 1 3 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.078 -0.008 25836
530 1 3 . 1 1 9 9 CYS CA C 9 51.847 51.847 58.556 -6.710 25836
531 1 3 . 1 1 9 9 CYS CB C 9 32.263 32.263 24.404 7.859 25836
532 1 3 . 1 1 9 9 CYS H H 9 6.690 6.690 7.977 -1.287 25836
533 1 3 . 1 1 10 10 TRP N N 10 119.159 119.159 122.535 -3.376 25836
534 1 3 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.720 0.217 25836
535 1 3 . 1 1 10 10 TRP CA C 10 53.032 53.032 52.972 0.060 25836
536 1 3 . 1 1 10 10 TRP CB C 10 26.379 26.379 29.006 -2.627 25836
537 1 3 . 1 1 10 10 TRP H H 10 8.232 8.232 7.235 0.997 25836
538 1 3 . 1 1 11 11 ALA N N 11 119.150 119.150 123.782 -4.632 25836
539 1 3 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.276 0.076 25836
540 1 3 . 1 1 11 11 ALA CA C 11 49.381 49.381 52.119 -2.738 25836
541 1 3 . 1 1 11 11 ALA CB C 11 17.253 17.253 18.708 -1.455 25836
542 1 3 . 1 1 11 11 ALA H H 11 8.159 8.159 8.296 -0.137 25836
543 1 3 . 1 1 12 12 ILE N N 12 121.974 121.974 122.556 -0.582 25836
544 1 3 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.836 -0.237 25836
545 1 3 . 1 1 12 12 ILE CA C 12 59.657 59.657 62.567 -2.910 25836
546 1 3 . 1 1 12 12 ILE CB C 12 34.763 34.763 35.532 -0.769 25836
547 1 3 . 1 1 12 12 ILE H H 12 8.448 8.448 8.432 0.016 25836
548 1 3 . 1 1 13 13 GLY N N 13 114.867 114.867 116.004 -1.137 25836
549 1 3 . 1 1 13 13 GLY CA C 13 41.954 41.954 44.934 -2.980 25836
550 1 3 . 1 1 13 13 GLY H H 13 9.649 9.649 8.787 0.862 25836
551 1 3 . 1 1 14 14 THR N N 14 118.155 118.155 117.304 0.851 25836
552 1 3 . 1 1 14 14 THR HA H 14 4.049 4.049 4.082 -0.033 25836
553 1 3 . 1 1 14 14 THR CA C 14 61.464 61.464 62.534 -1.070 25836
554 1 3 . 1 1 14 14 THR CB C 14 67.426 67.426 68.283 -0.857 25836
555 1 3 . 1 1 14 14 THR H H 14 8.076 8.076 7.730 0.346 25836
556 1 3 . 1 1 15 15 THR N N 15 123.193 123.193 116.109 7.084 25836
557 1 3 . 1 1 15 15 THR HA H 15 4.824 4.824 4.392 0.432 25836
558 1 3 . 1 1 15 15 THR CA C 15 61.148 61.148 62.790 -1.642 25836
559 1 3 . 1 1 15 15 THR CB C 15 66.798 66.798 69.261 -2.463 25836
560 1 3 . 1 1 15 15 THR H H 15 8.498 8.498 7.983 0.515 25836
561 1 3 . 1 1 16 16 CYS N N 16 119.932 119.932 122.419 -2.487 25836
562 1 3 . 1 1 16 16 CYS HA H 16 5.510 5.510 5.024 0.486 25836
563 1 3 . 1 1 16 16 CYS CA C 16 50.274 50.274 57.720 -7.446 25836
564 1 3 . 1 1 16 16 CYS CB C 16 45.557 45.557 29.142 16.415 25836
565 1 3 . 1 1 16 16 CYS H H 16 8.384 8.384 8.254 0.130 25836
566 1 3 . 1 1 17 17 SER N N 17 114.553 114.553 120.158 -5.605 25836
567 1 3 . 1 1 17 17 SER HA H 17 4.676 4.676 4.553 0.123 25836
568 1 3 . 1 1 17 17 SER CA C 17 56.391 56.391 58.093 -1.702 25836
569 1 3 . 1 1 17 17 SER CB C 17 62.251 62.251 63.779 -1.528 25836
570 1 3 . 1 1 17 17 SER H H 17 9.853 9.853 8.679 1.174 25836
571 1 3 . 1 1 18 18 ASP N N 18 119.019 119.019 121.812 -2.793 25836
572 1 3 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.234 0.396 25836
573 1 3 . 1 1 18 18 ASP CA C 18 50.649 50.649 56.276 -5.627 25836
574 1 3 . 1 1 18 18 ASP CB C 18 41.339 41.339 40.430 0.909 25836
575 1 3 . 1 1 18 18 ASP H H 18 7.767 7.767 8.210 -0.443 25836
576 1 3 . 1 1 19 19 ASP N N 19 121.627 121.627 118.186 3.441 25836
577 1 3 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.282 -0.036 25836
578 1 3 . 1 1 19 19 ASP CA C 19 55.706 55.706 55.311 0.395 25836
579 1 3 . 1 1 19 19 ASP CB C 19 37.099 37.099 40.272 -3.173 25836
580 1 3 . 1 1 19 19 ASP H H 19 8.916 8.916 8.648 0.268 25836
581 1 3 . 1 1 20 20 CYS N N 20 117.427 117.427 114.521 2.906 25836
582 1 3 . 1 1 20 20 CYS HA H 20 4.689 4.689 3.974 0.715 25836
583 1 3 . 1 1 20 20 CYS CA C 20 52.798 52.798 59.808 -7.010 25836
584 1 3 . 1 1 20 20 CYS CB C 20 36.331 36.331 25.987 10.344 25836
585 1 3 . 1 1 20 20 CYS H H 20 9.308 9.308 8.601 0.707 25836
586 1 3 . 1 1 21 21 ASP N N 21 120.031 120.031 119.039 0.992 25836
587 1 3 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.010 -0.282 25836
588 1 3 . 1 1 21 21 ASP CA C 21 53.926 53.926 56.503 -2.577 25836
589 1 3 . 1 1 21 21 ASP CB C 21 39.032 39.032 40.093 -1.061 25836
590 1 3 . 1 1 21 21 ASP H H 21 7.897 7.897 7.900 -0.003 25836
591 1 3 . 1 1 22 22 CYS N N 22 112.949 112.949 114.368 -1.419 25836
592 1 3 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.103 1.171 25836
593 1 3 . 1 1 22 22 CYS CA C 22 48.641 48.641 57.270 -8.629 25836
594 1 3 . 1 1 22 22 CYS CB C 22 36.172 36.172 30.263 5.909 25836
595 1 3 . 1 1 22 22 CYS H H 22 7.120 7.120 7.409 -0.289 25836
596 1 3 . 1 1 23 23 CYS N N 23 124.612 124.612 120.453 4.159 25836
597 1 3 . 1 1 23 23 CYS H H 23 11.256 11.256 8.468 2.788 25836
598 1 3 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.333 -0.287 25836
599 1 3 . 1 1 24 24 PRO CA C 24 63.522 63.522 64.894 -1.372 25836
600 1 3 . 1 1 24 24 PRO CB C 24 37.298 37.298 32.114 5.184 25836
601 1 3 . 1 1 25 25 GLU N N 25 114.549 114.549 117.081 -2.532 25836
602 1 3 . 1 1 25 25 GLU HA H 25 4.355 4.355 4.454 -0.099 25836
603 1 3 . 1 1 25 25 GLU CA C 25 54.444 54.444 55.952 -1.508 25836
604 1 3 . 1 1 25 25 GLU CB C 25 25.751 25.751 29.395 -3.644 25836
605 1 3 . 1 1 25 25 GLU H H 25 9.041 9.041 8.770 0.271 25836
606 1 3 . 1 1 26 26 HIS N N 26 123.352 123.352 117.544 5.808 25836
607 1 3 . 1 1 26 26 HIS HA H 26 5.408 5.408 4.974 0.434 25836
608 1 3 . 1 1 26 26 HIS CA C 26 50.399 50.399 56.074 -5.675 25836
609 1 3 . 1 1 26 26 HIS CB C 26 33.143 33.143 33.188 -0.045 25836
610 1 3 . 1 1 26 26 HIS H H 26 8.118 8.118 7.575 0.543 25836
611 1 3 . 1 1 27 27 HIS N N 27 112.923 112.923 115.830 -2.907 25836
612 1 3 . 1 1 27 27 HIS HA H 27 4.644 4.644 4.875 -0.232 25836
613 1 3 . 1 1 27 27 HIS CA C 27 52.622 52.622 56.600 -3.978 25836
614 1 3 . 1 1 27 27 HIS CB C 27 28.231 28.231 33.422 -5.191 25836
615 1 3 . 1 1 27 27 HIS H H 27 9.365 9.365 9.365 -0.000 25836
616 1 3 . 1 1 28 28 CYS N N 28 121.103 121.103 118.634 2.469 25836
617 1 3 . 1 1 28 28 CYS HA H 28 4.803 4.803 5.006 -0.203 25836
618 1 3 . 1 1 28 28 CYS CA C 28 52.733 52.733 58.604 -5.871 25836
619 1 3 . 1 1 28 28 CYS CB C 28 34.784 34.784 27.936 6.848 25836
620 1 3 . 1 1 28 28 CYS H H 28 9.499 9.499 8.130 1.369 25836
621 1 3 . 1 1 29 29 HIS N N 29 132.381 132.381 123.024 9.357 25836
622 1 3 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.962 -0.438 25836
623 1 3 . 1 1 29 29 HIS CA C 29 53.855 53.855 55.209 -1.354 25836
624 1 3 . 1 1 29 29 HIS CB C 29 28.973 28.973 32.554 -3.581 25836
625 1 3 . 1 1 29 29 HIS H H 29 8.938 8.938 9.024 -0.086 25836
626 1 3 . 1 1 30 30 CYS N N 30 127.165 127.165 127.180 -0.015 25836
627 1 3 . 1 1 30 30 CYS HA H 30 5.146 5.146 4.742 0.404 25836
628 1 3 . 1 1 30 30 CYS CA C 30 48.824 48.824 56.570 -7.746 25836
629 1 3 . 1 1 30 30 CYS CB C 30 41.470 41.470 27.977 13.493 25836
630 1 3 . 1 1 30 30 CYS H H 30 8.400 8.400 8.963 -0.563 25836
631 1 3 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.537 -0.261 25836
632 1 3 . 1 1 31 31 PRO CA C 31 60.702 60.702 62.784 -2.082 25836
633 1 3 . 1 1 31 31 PRO CB C 31 29.441 29.441 32.609 -3.168 25836
634 1 3 . 1 1 32 32 ALA N N 32 122.630 122.630 120.015 2.615 25836
635 1 3 . 1 1 32 32 ALA HA H 32 4.430 4.430 4.681 -0.251 25836
636 1 3 . 1 1 32 32 ALA CA C 32 49.453 49.453 51.926 -2.473 25836
637 1 3 . 1 1 32 32 ALA CB C 32 16.936 16.936 21.033 -4.097 25836
638 1 3 . 1 1 32 32 ALA H H 32 8.367 8.367 8.235 0.132 25836
639 1 3 . 1 1 33 33 GLY N N 33 107.375 107.375 109.174 -1.799 25836
640 1 3 . 1 1 33 33 GLY CA C 33 42.443 42.443 44.217 -1.774 25836
641 1 3 . 1 1 33 33 GLY H H 33 8.097 8.097 8.101 -0.004 25836
642 1 3 . 1 1 34 34 LYS N N 34 119.653 119.653 120.148 -0.495 25836
643 1 3 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.108 0.206 25836
644 1 3 . 1 1 34 34 LYS CA C 34 61.156 61.156 57.432 3.724 25836
645 1 3 . 1 1 34 34 LYS CB C 34 30.378 30.378 33.121 -2.743 25836
646 1 3 . 1 1 34 34 LYS H H 34 7.852 7.852 8.514 -0.662 25836
647 1 3 . 1 1 35 35 TRP N N 35 122.428 122.428 123.176 -0.748 25836
648 1 3 . 1 1 35 35 TRP CB C 35 27.248 27.248 29.026 -1.778 25836
649 1 3 . 1 1 35 35 TRP H H 35 8.130 8.130 8.404 -0.274 25836
650 1 3 . 1 1 36 36 LEU N N 36 125.209 125.209 122.339 2.870 25836
651 1 3 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.846 0.703 25836
652 1 3 . 1 1 36 36 LEU CA C 36 50.156 50.156 54.600 -4.444 25836
653 1 3 . 1 1 36 36 LEU CB C 36 40.225 40.225 40.900 -0.675 25836
654 1 3 . 1 1 36 36 LEU H H 36 7.460 7.460 8.084 -0.624 25836
655 1 3 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.627 -0.326 25836
656 1 3 . 1 1 37 37 PRO CA C 37 56.645 56.645 62.687 -6.042 25836
657 1 3 . 1 1 38 38 GLY N N 38 109.686 109.686 111.374 -1.688 25836
658 1 3 . 1 1 38 38 GLY CA C 38 42.884 42.884 46.192 -3.308 25836
659 1 3 . 1 1 38 38 GLY H H 38 8.480 8.480 8.483 -0.003 25836
660 1 3 . 1 1 39 39 LEU N N 39 121.083 121.083 116.756 4.327 25836
661 1 3 . 1 1 39 39 LEU HA H 39 4.360 4.360 4.339 0.021 25836
662 1 3 . 1 1 39 39 LEU CA C 39 52.798 52.798 56.276 -3.478 25836
663 1 3 . 1 1 39 39 LEU CB C 39 40.369 40.369 42.181 -1.812 25836
664 1 3 . 1 1 39 39 LEU H H 39 7.847 7.847 7.308 0.539 25836
665 1 3 . 1 1 40 40 PHE N N 40 118.886 118.886 120.064 -1.178 25836
666 1 3 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.535 0.039 25836
667 1 3 . 1 1 40 40 PHE CA C 40 54.489 54.489 56.748 -2.259 25836
668 1 3 . 1 1 40 40 PHE CB C 40 37.271 37.271 40.547 -3.276 25836
669 1 3 . 1 1 40 40 PHE H H 40 7.868 7.868 8.034 -0.166 25836
670 1 3 . 1 1 41 41 ARG N N 41 121.171 121.171 120.482 0.689 25836
671 1 3 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.119 0.297 25836
672 1 3 . 1 1 41 41 ARG CA C 41 52.974 52.974 55.803 -2.829 25836
673 1 3 . 1 1 41 41 ARG CB C 41 29.148 29.148 30.729 -1.581 25836
674 1 3 . 1 1 41 41 ARG H H 41 7.888 7.888 7.525 0.363 25836
675 1 3 . 1 1 42 42 CYS N N 42 123.035 123.035 117.314 5.721 25836
676 1 3 . 1 1 42 42 CYS HA H 42 5.446 5.446 5.173 0.273 25836
677 1 3 . 1 1 42 42 CYS CA C 42 53.979 53.979 57.750 -3.771 25836
678 1 3 . 1 1 42 42 CYS CB C 42 45.543 45.543 29.204 16.339 25836
679 1 3 . 1 1 42 42 CYS H H 42 8.731 8.731 8.479 0.252 25836
680 1 3 . 1 1 43 43 THR N N 43 111.223 111.223 111.098 0.125 25836
681 1 3 . 1 1 43 43 THR HA H 43 5.402 5.402 4.901 0.501 25836
682 1 3 . 1 1 43 43 THR CA C 43 57.581 57.581 60.342 -2.761 25836
683 1 3 . 1 1 43 43 THR CB C 43 71.715 71.715 71.378 0.337 25836
684 1 3 . 1 1 43 43 THR H H 43 8.659 8.659 8.674 -0.015 25836
685 1 3 . 1 1 44 44 CYS N N 44 120.754 120.754 124.549 -3.795 25836
686 1 3 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.153 0.176 25836
687 1 3 . 1 1 44 44 CYS CA C 44 52.398 52.398 59.700 -7.301 25836
688 1 3 . 1 1 44 44 CYS CB C 44 36.766 36.766 26.737 10.029 25836
689 1 3 . 1 1 44 44 CYS H H 44 8.404 8.404 8.755 -0.351 25836
690 1 3 . 1 1 45 45 GLN N N 45 121.589 121.589 124.965 -3.376 25836
691 1 3 . 1 1 45 45 GLN HA H 45 4.695 4.695 4.941 -0.246 25836
692 1 3 . 1 1 45 45 GLN CA C 45 51.495 51.495 53.543 -2.048 25836
693 1 3 . 1 1 45 45 GLN CB C 45 31.136 31.136 33.595 -2.459 25836
694 1 3 . 1 1 45 45 GLN H H 45 9.247 9.247 9.109 0.138 25836
695 1 3 . 1 1 46 46 VAL N N 46 119.594 119.594 120.503 -0.909 25836
696 1 3 . 1 1 46 46 VAL HA H 46 4.149 4.149 3.349 0.800 25836
697 1 3 . 1 1 46 46 VAL CA C 46 61.358 61.358 63.671 -2.313 25836
698 1 3 . 1 1 46 46 VAL CB C 46 29.629 29.629 31.637 -2.007 25836
699 1 3 . 1 1 46 46 VAL H H 46 8.703 8.703 8.571 0.132 25836
700 1 3 . 1 1 47 47 THR N N 47 118.278 118.278 120.709 -2.431 25836
701 1 3 . 1 1 47 47 THR HA H 47 4.169 4.169 4.221 -0.052 25836
702 1 3 . 1 1 47 47 THR CA C 47 59.491 59.491 63.935 -4.444 25836
703 1 3 . 1 1 47 47 THR CB C 47 66.789 66.789 68.569 -1.780 25836
704 1 3 . 1 1 47 47 THR H H 47 8.002 8.002 8.058 -0.056 25836
705 1 3 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.337 0.125 25836
706 1 3 . 1 1 49 49 SER N N 49 114.478 114.478 117.950 -3.472 25836
707 1 3 . 1 1 49 49 SER HA H 49 4.291 4.291 4.360 -0.069 25836
708 1 3 . 1 1 49 49 SER CA C 49 51.081 51.081 58.397 -7.316 25836
709 1 3 . 1 1 49 49 SER CB C 49 60.846 60.846 63.556 -2.710 25836
710 1 3 . 1 1 49 49 SER H H 49 8.304 8.304 8.226 0.078 25836
711 1 3 . 1 1 50 50 ASP N N 50 118.750 118.750 120.864 -2.114 25836
712 1 3 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.626 -0.045 25836
713 1 3 . 1 1 50 50 ASP CA C 50 51.426 51.426 54.078 -2.652 25836
714 1 3 . 1 1 50 50 ASP CB C 50 37.727 37.727 39.795 -2.068 25836
715 1 3 . 1 1 50 50 ASP H H 50 8.469 8.469 8.501 -0.032 25836
716 1 3 . 1 1 51 51 LYS N N 51 120.789 120.789 120.195 0.594 25836
717 1 3 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.408 0.051 25836
718 1 3 . 1 1 51 51 LYS CA C 51 52.869 52.869 55.071 -2.201 25836
719 1 3 . 1 1 51 51 LYS CB C 51 26.190 26.190 34.961 -8.771 25836
720 1 3 . 1 1 51 51 LYS H H 51 7.824 7.824 7.088 0.736 25836
721 1 3 . 1 1 52 52 VAL N N 52 116.071 116.071 120.365 -4.294 25836
722 1 3 . 1 1 52 52 VAL HA H 52 4.303 4.303 4.143 0.160 25836
723 1 3 . 1 1 52 52 VAL CA C 52 57.941 57.941 59.609 -1.668 25836
724 1 3 . 1 1 52 52 VAL CB C 52 31.464 31.464 33.967 -2.503 25836
725 1 3 . 1 1 52 52 VAL H H 52 7.653 7.653 8.076 -0.423 25836
726 1 3 . 1 1 53 53 ASN N N 53 123.498 123.498 120.731 2.767 25836
727 1 3 . 1 1 53 53 ASN HA H 53 4.374 4.374 4.680 -0.306 25836
728 1 3 . 1 1 53 53 ASN CA C 53 52.763 52.763 53.990 -1.227 25836
729 1 3 . 1 1 53 53 ASN CB C 53 37.419 37.419 39.291 -1.871 25836
730 1 3 . 1 1 53 53 ASN H H 53 8.495 8.495 8.595 -0.100 25836
731 1 3 . 1 1 54 54 LYS N N 54 127.289 127.289 118.956 8.333 25836
732 1 3 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.502 -0.158 25836
733 1 3 . 1 1 54 54 LYS CA C 54 53.397 53.397 56.148 -2.751 25836
734 1 3 . 1 1 54 54 LYS CB C 54 29.422 29.422 32.180 -2.758 25836
735 1 3 . 1 1 54 54 LYS H H 54 10.155 10.155 8.616 1.539 25836
736 1 3 . 1 1 55 55 CYS N N 55 124.019 124.019 121.134 2.885 25836
737 1 3 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.804 -0.115 25836
738 1 3 . 1 1 55 55 CYS CA C 55 52.235 52.235 57.043 -4.808 25836
739 1 3 . 1 1 55 55 CYS CB C 55 40.134 40.134 27.774 12.360 25836
740 1 3 . 1 1 55 55 CYS H H 55 8.698 8.698 7.988 0.710 25836
741 1 3 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.339 0.250 25836
742 1 3 . 1 1 57 57 PRO CB C 57 29.744 29.744 32.243 -2.499 25836
743 1 3 . 1 1 58 58 ALA N N 58 123.825 123.825 119.411 4.414 25836
744 1 3 . 1 1 58 58 ALA HA H 58 4.351 4.351 4.544 -0.193 25836
745 1 3 . 1 1 58 58 ALA CA C 58 49.557 49.557 52.026 -2.469 25836
746 1 3 . 1 1 58 58 ALA CB C 58 16.910 16.910 21.007 -4.097 25836
747 1 3 . 1 1 58 58 ALA H H 58 8.426 8.426 8.210 0.216 25836
748 1 4 . 1 1 2 2 THR N N 2 112.683 112.683 115.044 -2.361 25836
749 1 4 . 1 1 2 2 THR HA H 2 4.483 4.483 4.955 -0.472 25836
750 1 4 . 1 1 2 2 THR H H 2 8.031 8.031 8.570 -0.539 25836
751 1 4 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.618 -0.306 25836
752 1 4 . 1 1 3 3 PRO CA C 3 51.149 51.149 62.628 -11.479 25836
753 1 4 . 1 1 3 3 PRO CB C 3 29.323 29.323 32.620 -3.296 25836
754 1 4 . 1 1 4 4 VAL N N 4 120.622 120.622 117.073 3.549 25836
755 1 4 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.402 -0.132 25836
756 1 4 . 1 1 4 4 VAL CA C 4 58.505 58.505 60.968 -2.463 25836
757 1 4 . 1 1 4 4 VAL CB C 4 31.307 31.307 33.647 -2.340 25836
758 1 4 . 1 1 4 4 VAL H H 4 8.113 8.113 8.443 -0.330 25836
759 1 4 . 1 1 5 5 GLY N N 5 115.132 115.132 110.590 4.542 25836
760 1 4 . 1 1 5 5 GLY CA C 5 44.133 44.133 44.811 -0.678 25836
761 1 4 . 1 1 5 5 GLY H H 5 8.736 8.736 8.310 0.426 25836
762 1 4 . 1 1 6 6 ASN N N 6 123.501 123.501 119.901 3.600 25836
763 1 4 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.438 0.290 25836
764 1 4 . 1 1 6 6 ASN CA C 6 50.698 50.698 54.435 -3.737 25836
765 1 4 . 1 1 6 6 ASN CB C 6 36.797 36.797 38.805 -2.008 25836
766 1 4 . 1 1 6 6 ASN H H 6 9.148 9.148 8.892 0.256 25836
767 1 4 . 1 1 7 7 ASN N N 7 118.968 118.968 117.616 1.352 25836
768 1 4 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.741 0.554 25836
769 1 4 . 1 1 7 7 ASN CA C 7 51.671 51.671 54.235 -2.564 25836
770 1 4 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.411 1.190 25836
771 1 4 . 1 1 7 7 ASN H H 7 8.515 8.515 8.313 0.202 25836
772 1 4 . 1 1 8 8 LYS N N 8 123.142 123.142 122.605 0.537 25836
773 1 4 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.256 -0.447 25836
774 1 4 . 1 1 8 8 LYS CA C 8 55.264 55.264 57.459 -2.195 25836
775 1 4 . 1 1 8 8 LYS CB C 8 29.383 29.383 32.866 -3.483 25836
776 1 4 . 1 1 8 8 LYS H H 8 9.294 9.294 8.799 0.495 25836
777 1 4 . 1 1 9 9 CYS N N 9 111.161 111.161 118.647 -7.486 25836
778 1 4 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.255 -0.185 25836
779 1 4 . 1 1 9 9 CYS CA C 9 51.847 51.847 59.291 -7.444 25836
780 1 4 . 1 1 9 9 CYS CB C 9 32.263 32.263 25.218 7.045 25836
781 1 4 . 1 1 9 9 CYS H H 9 6.690 6.690 8.159 -1.469 25836
782 1 4 . 1 1 10 10 TRP N N 10 119.159 119.159 125.601 -6.442 25836
783 1 4 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.501 0.436 25836
784 1 4 . 1 1 10 10 TRP CA C 10 53.032 53.032 56.950 -3.918 25836
785 1 4 . 1 1 10 10 TRP CB C 10 26.379 26.379 30.922 -4.543 25836
786 1 4 . 1 1 10 10 TRP H H 10 8.232 8.232 8.422 -0.190 25836
787 1 4 . 1 1 11 11 ALA N N 11 119.150 119.150 121.841 -2.691 25836
788 1 4 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.299 0.053 25836
789 1 4 . 1 1 11 11 ALA CA C 11 49.381 49.381 51.485 -2.104 25836
790 1 4 . 1 1 11 11 ALA CB C 11 17.253 17.253 19.371 -2.118 25836
791 1 4 . 1 1 11 11 ALA H H 11 8.159 8.159 8.165 -0.006 25836
792 1 4 . 1 1 12 12 ILE N N 12 121.974 121.974 123.980 -2.006 25836
793 1 4 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.785 -0.186 25836
794 1 4 . 1 1 12 12 ILE CA C 12 59.657 59.657 63.318 -3.661 25836
795 1 4 . 1 1 12 12 ILE CB C 12 34.763 34.763 36.617 -1.854 25836
796 1 4 . 1 1 12 12 ILE H H 12 8.448 8.448 8.707 -0.259 25836
797 1 4 . 1 1 13 13 GLY N N 13 114.867 114.867 115.431 -0.564 25836
798 1 4 . 1 1 13 13 GLY CA C 13 41.954 41.954 44.793 -2.839 25836
799 1 4 . 1 1 13 13 GLY H H 13 9.649 9.649 8.819 0.830 25836
800 1 4 . 1 1 14 14 THR N N 14 118.155 118.155 116.598 1.557 25836
801 1 4 . 1 1 14 14 THR HA H 14 4.049 4.049 4.661 -0.612 25836
802 1 4 . 1 1 14 14 THR CA C 14 61.464 61.464 61.208 0.256 25836
803 1 4 . 1 1 14 14 THR CB C 14 67.426 67.426 69.934 -2.508 25836
804 1 4 . 1 1 14 14 THR H H 14 8.076 8.076 8.023 0.053 25836
805 1 4 . 1 1 15 15 THR N N 15 123.193 123.193 116.982 6.211 25836
806 1 4 . 1 1 15 15 THR HA H 15 4.824 4.824 4.738 0.086 25836
807 1 4 . 1 1 15 15 THR CA C 15 61.148 61.148 62.215 -1.067 25836
808 1 4 . 1 1 15 15 THR CB C 15 66.798 66.798 69.536 -2.738 25836
809 1 4 . 1 1 15 15 THR H H 15 8.498 8.498 8.337 0.161 25836
810 1 4 . 1 1 16 16 CYS N N 16 119.932 119.932 120.676 -0.744 25836
811 1 4 . 1 1 16 16 CYS HA H 16 5.510 5.510 4.744 0.766 25836
812 1 4 . 1 1 16 16 CYS CA C 16 50.274 50.274 56.609 -6.335 25836
813 1 4 . 1 1 16 16 CYS CB C 16 45.557 45.557 29.573 15.984 25836
814 1 4 . 1 1 16 16 CYS H H 16 8.384 8.384 8.268 0.116 25836
815 1 4 . 1 1 17 17 SER N N 17 114.553 114.553 115.871 -1.318 25836
816 1 4 . 1 1 17 17 SER HA H 17 4.676 4.676 4.490 0.186 25836
817 1 4 . 1 1 17 17 SER CA C 17 56.391 56.391 57.746 -1.355 25836
818 1 4 . 1 1 17 17 SER CB C 17 62.251 62.251 64.047 -1.796 25836
819 1 4 . 1 1 17 17 SER H H 17 9.853 9.853 8.607 1.246 25836
820 1 4 . 1 1 18 18 ASP N N 18 119.019 119.019 121.561 -2.542 25836
821 1 4 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.224 0.406 25836
822 1 4 . 1 1 18 18 ASP CA C 18 50.649 50.649 56.567 -5.918 25836
823 1 4 . 1 1 18 18 ASP CB C 18 41.339 41.339 40.629 0.710 25836
824 1 4 . 1 1 18 18 ASP H H 18 7.767 7.767 8.182 -0.415 25836
825 1 4 . 1 1 19 19 ASP N N 19 121.627 121.627 119.148 2.479 25836
826 1 4 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.311 -0.065 25836
827 1 4 . 1 1 19 19 ASP CA C 19 55.706 55.706 55.428 0.278 25836
828 1 4 . 1 1 19 19 ASP CB C 19 37.099 37.099 39.947 -2.849 25836
829 1 4 . 1 1 19 19 ASP H H 19 8.916 8.916 8.680 0.236 25836
830 1 4 . 1 1 20 20 CYS N N 20 117.427 117.427 115.264 2.163 25836
831 1 4 . 1 1 20 20 CYS HA H 20 4.689 4.689 4.050 0.639 25836
832 1 4 . 1 1 20 20 CYS CA C 20 52.798 52.798 59.896 -7.098 25836
833 1 4 . 1 1 20 20 CYS CB C 20 36.331 36.331 25.687 10.644 25836
834 1 4 . 1 1 20 20 CYS H H 20 9.308 9.308 8.796 0.512 25836
835 1 4 . 1 1 21 21 ASP N N 21 120.031 120.031 119.949 0.082 25836
836 1 4 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.224 -0.496 25836
837 1 4 . 1 1 21 21 ASP CA C 21 53.926 53.926 57.804 -3.878 25836
838 1 4 . 1 1 21 21 ASP CB C 21 39.032 39.032 40.999 -1.967 25836
839 1 4 . 1 1 21 21 ASP H H 21 7.897 7.897 8.162 -0.265 25836
840 1 4 . 1 1 22 22 CYS N N 22 112.949 112.949 116.241 -3.292 25836
841 1 4 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.704 0.570 25836
842 1 4 . 1 1 22 22 CYS CA C 22 48.641 48.641 58.339 -9.698 25836
843 1 4 . 1 1 22 22 CYS CB C 22 36.172 36.172 28.731 7.441 25836
844 1 4 . 1 1 22 22 CYS H H 22 7.120 7.120 8.058 -0.938 25836
845 1 4 . 1 1 23 23 CYS N N 23 124.612 124.612 121.468 3.144 25836
846 1 4 . 1 1 23 23 CYS H H 23 11.256 11.256 8.703 2.553 25836
847 1 4 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.356 -0.310 25836
848 1 4 . 1 1 24 24 PRO CA C 24 63.522 63.522 64.974 -1.452 25836
849 1 4 . 1 1 24 24 PRO CB C 24 37.298 37.298 32.107 5.191 25836
850 1 4 . 1 1 25 25 GLU N N 25 114.549 114.549 116.752 -2.203 25836
851 1 4 . 1 1 25 25 GLU HA H 25 4.355 4.355 4.377 -0.022 25836
852 1 4 . 1 1 25 25 GLU CA C 25 54.444 54.444 56.237 -1.793 25836
853 1 4 . 1 1 25 25 GLU CB C 25 25.751 25.751 29.403 -3.652 25836
854 1 4 . 1 1 25 25 GLU H H 25 9.041 9.041 8.675 0.366 25836
855 1 4 . 1 1 26 26 HIS N N 26 123.352 123.352 116.743 6.609 25836
856 1 4 . 1 1 26 26 HIS HA H 26 5.408 5.408 5.449 -0.041 25836
857 1 4 . 1 1 26 26 HIS CA C 26 50.399 50.399 55.478 -5.080 25836
858 1 4 . 1 1 26 26 HIS CB C 26 33.143 33.143 33.334 -0.191 25836
859 1 4 . 1 1 26 26 HIS H H 26 8.118 8.118 7.629 0.489 25836
860 1 4 . 1 1 27 27 HIS N N 27 112.923 112.923 116.309 -3.386 25836
861 1 4 . 1 1 27 27 HIS HA H 27 4.644 4.644 4.875 -0.231 25836
862 1 4 . 1 1 27 27 HIS CA C 27 52.622 52.622 56.099 -3.477 25836
863 1 4 . 1 1 27 27 HIS CB C 27 28.231 28.231 33.328 -5.098 25836
864 1 4 . 1 1 27 27 HIS H H 27 9.365 9.365 9.075 0.290 25836
865 1 4 . 1 1 28 28 CYS N N 28 121.103 121.103 120.811 0.292 25836
866 1 4 . 1 1 28 28 CYS HA H 28 4.803 4.803 4.913 -0.110 25836
867 1 4 . 1 1 28 28 CYS CA C 28 52.733 52.733 58.352 -5.619 25836
868 1 4 . 1 1 28 28 CYS CB C 28 34.784 34.784 25.749 9.035 25836
869 1 4 . 1 1 28 28 CYS H H 28 9.499 9.499 8.324 1.175 25836
870 1 4 . 1 1 29 29 HIS N N 29 132.381 132.381 124.835 7.546 25836
871 1 4 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.767 -0.243 25836
872 1 4 . 1 1 29 29 HIS CA C 29 53.855 53.855 56.954 -3.099 25836
873 1 4 . 1 1 29 29 HIS CB C 29 28.973 28.973 31.761 -2.788 25836
874 1 4 . 1 1 29 29 HIS H H 29 8.938 8.938 9.217 -0.279 25836
875 1 4 . 1 1 30 30 CYS N N 30 127.165 127.165 124.600 2.565 25836
876 1 4 . 1 1 30 30 CYS HA H 30 5.146 5.146 4.862 0.284 25836
877 1 4 . 1 1 30 30 CYS CA C 30 48.824 48.824 56.908 -8.084 25836
878 1 4 . 1 1 30 30 CYS CB C 30 41.470 41.470 30.337 11.133 25836
879 1 4 . 1 1 30 30 CYS H H 30 8.400 8.400 8.462 -0.062 25836
880 1 4 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.458 -0.182 25836
881 1 4 . 1 1 31 31 PRO CA C 31 60.702 60.702 62.896 -2.194 25836
882 1 4 . 1 1 31 31 PRO CB C 31 29.441 29.441 32.320 -2.879 25836
883 1 4 . 1 1 32 32 ALA N N 32 122.630 122.630 118.598 4.032 25836
884 1 4 . 1 1 32 32 ALA HA H 32 4.430 4.430 4.874 -0.444 25836
885 1 4 . 1 1 32 32 ALA CA C 32 49.453 49.453 51.958 -2.505 25836
886 1 4 . 1 1 32 32 ALA CB C 32 16.936 16.936 20.363 -3.426 25836
887 1 4 . 1 1 32 32 ALA H H 32 8.367 8.367 8.648 -0.281 25836
888 1 4 . 1 1 33 33 GLY N N 33 107.375 107.375 107.202 0.173 25836
889 1 4 . 1 1 33 33 GLY CA C 33 42.443 42.443 46.137 -3.694 25836
890 1 4 . 1 1 33 33 GLY H H 33 8.097 8.097 8.647 -0.550 25836
891 1 4 . 1 1 34 34 LYS N N 34 119.653 119.653 119.960 -0.307 25836
892 1 4 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.279 0.035 25836
893 1 4 . 1 1 34 34 LYS CA C 34 61.156 61.156 55.454 5.702 25836
894 1 4 . 1 1 34 34 LYS CB C 34 30.378 30.378 32.335 -1.957 25836
895 1 4 . 1 1 34 34 LYS H H 34 7.852 7.852 7.932 -0.080 25836
896 1 4 . 1 1 35 35 TRP N N 35 122.428 122.428 121.019 1.409 25836
897 1 4 . 1 1 35 35 TRP CB C 35 27.248 27.248 27.998 -0.750 25836
898 1 4 . 1 1 35 35 TRP H H 35 8.130 8.130 7.605 0.525 25836
899 1 4 . 1 1 36 36 LEU N N 36 125.209 125.209 123.236 1.973 25836
900 1 4 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.880 0.669 25836
901 1 4 . 1 1 36 36 LEU CA C 36 50.156 50.156 54.265 -4.109 25836
902 1 4 . 1 1 36 36 LEU CB C 36 40.225 40.225 40.359 -0.135 25836
903 1 4 . 1 1 36 36 LEU H H 36 7.460 7.460 7.996 -0.536 25836
904 1 4 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.406 -0.105 25836
905 1 4 . 1 1 37 37 PRO CA C 37 56.645 56.645 62.960 -6.315 25836
906 1 4 . 1 1 38 38 GLY N N 38 109.686 109.686 108.088 1.598 25836
907 1 4 . 1 1 38 38 GLY CA C 38 42.884 42.884 45.075 -2.191 25836
908 1 4 . 1 1 38 38 GLY H H 38 8.480 8.480 8.472 0.008 25836
909 1 4 . 1 1 39 39 LEU N N 39 121.083 121.083 121.381 -0.298 25836
910 1 4 . 1 1 39 39 LEU HA H 39 4.360 4.360 4.498 -0.138 25836
911 1 4 . 1 1 39 39 LEU CA C 39 52.798 52.798 55.553 -2.756 25836
912 1 4 . 1 1 39 39 LEU CB C 39 40.369 40.369 42.148 -1.779 25836
913 1 4 . 1 1 39 39 LEU H H 39 7.847 7.847 8.286 -0.439 25836
914 1 4 . 1 1 40 40 PHE N N 40 118.886 118.886 119.161 -0.275 25836
915 1 4 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.485 0.089 25836
916 1 4 . 1 1 40 40 PHE CA C 40 54.489 54.489 57.153 -2.664 25836
917 1 4 . 1 1 40 40 PHE CB C 40 37.271 37.271 39.404 -2.133 25836
918 1 4 . 1 1 40 40 PHE H H 40 7.868 7.868 7.915 -0.047 25836
919 1 4 . 1 1 41 41 ARG N N 41 121.171 121.171 122.116 -0.945 25836
920 1 4 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.284 0.132 25836
921 1 4 . 1 1 41 41 ARG CA C 41 52.974 52.974 55.754 -2.780 25836
922 1 4 . 1 1 41 41 ARG CB C 41 29.148 29.148 30.759 -1.611 25836
923 1 4 . 1 1 41 41 ARG H H 41 7.888 7.888 8.360 -0.472 25836
924 1 4 . 1 1 42 42 CYS N N 42 123.035 123.035 119.107 3.928 25836
925 1 4 . 1 1 42 42 CYS HA H 42 5.446 5.446 5.446 0.000 25836
926 1 4 . 1 1 42 42 CYS CA C 42 53.979 53.979 57.420 -3.441 25836
927 1 4 . 1 1 42 42 CYS CB C 42 45.543 45.543 31.325 14.218 25836
928 1 4 . 1 1 42 42 CYS H H 42 8.731 8.731 8.656 0.075 25836
929 1 4 . 1 1 43 43 THR N N 43 111.223 111.223 111.780 -0.557 25836
930 1 4 . 1 1 43 43 THR HA H 43 5.402 5.402 5.214 0.188 25836
931 1 4 . 1 1 43 43 THR CA C 43 57.581 57.581 59.781 -2.200 25836
932 1 4 . 1 1 43 43 THR CB C 43 71.715 71.715 71.105 0.610 25836
933 1 4 . 1 1 43 43 THR H H 43 8.659 8.659 8.740 -0.081 25836
934 1 4 . 1 1 44 44 CYS N N 44 120.754 120.754 124.667 -3.913 25836
935 1 4 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.182 0.147 25836
936 1 4 . 1 1 44 44 CYS CA C 44 52.398 52.398 59.917 -7.519 25836
937 1 4 . 1 1 44 44 CYS CB C 44 36.766 36.766 26.160 10.606 25836
938 1 4 . 1 1 44 44 CYS H H 44 8.404 8.404 8.861 -0.457 25836
939 1 4 . 1 1 45 45 GLN N N 45 121.589 121.589 125.055 -3.466 25836
940 1 4 . 1 1 45 45 GLN HA H 45 4.695 4.695 4.848 -0.153 25836
941 1 4 . 1 1 45 45 GLN CA C 45 51.495 51.495 53.892 -2.397 25836
942 1 4 . 1 1 45 45 GLN CB C 45 31.136 31.136 33.469 -2.333 25836
943 1 4 . 1 1 45 45 GLN H H 45 9.247 9.247 9.022 0.225 25836
944 1 4 . 1 1 46 46 VAL N N 46 119.594 119.594 122.889 -3.295 25836
945 1 4 . 1 1 46 46 VAL HA H 46 4.149 4.149 3.594 0.555 25836
946 1 4 . 1 1 46 46 VAL CA C 46 61.358 61.358 61.762 -0.404 25836
947 1 4 . 1 1 46 46 VAL CB C 46 29.629 29.629 32.401 -2.772 25836
948 1 4 . 1 1 46 46 VAL H H 46 8.703 8.703 8.345 0.358 25836
949 1 4 . 1 1 47 47 THR N N 47 118.278 118.278 120.503 -2.225 25836
950 1 4 . 1 1 47 47 THR HA H 47 4.169 4.169 4.633 -0.464 25836
951 1 4 . 1 1 47 47 THR CA C 47 59.491 59.491 60.978 -1.487 25836
952 1 4 . 1 1 47 47 THR CB C 47 66.789 66.789 70.755 -3.966 25836
953 1 4 . 1 1 47 47 THR H H 47 8.002 8.002 8.580 -0.578 25836
954 1 4 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.416 0.046 25836
955 1 4 . 1 1 49 49 SER N N 49 114.478 114.478 117.051 -2.573 25836
956 1 4 . 1 1 49 49 SER HA H 49 4.291 4.291 4.298 -0.007 25836
957 1 4 . 1 1 49 49 SER CA C 49 51.081 51.081 58.712 -7.631 25836
958 1 4 . 1 1 49 49 SER CB C 49 60.846 60.846 63.763 -2.917 25836
959 1 4 . 1 1 49 49 SER H H 49 8.304 8.304 7.685 0.619 25836
960 1 4 . 1 1 50 50 ASP N N 50 118.750 118.750 119.800 -1.050 25836
961 1 4 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.524 0.057 25836
962 1 4 . 1 1 50 50 ASP CA C 50 51.426 51.426 54.900 -3.474 25836
963 1 4 . 1 1 50 50 ASP CB C 50 37.727 37.727 40.526 -2.799 25836
964 1 4 . 1 1 50 50 ASP H H 50 8.469 8.469 8.741 -0.272 25836
965 1 4 . 1 1 51 51 LYS N N 51 120.789 120.789 118.023 2.766 25836
966 1 4 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.349 0.110 25836
967 1 4 . 1 1 51 51 LYS CA C 51 52.869 52.869 55.542 -2.673 25836
968 1 4 . 1 1 51 51 LYS CB C 51 26.190 26.190 32.260 -6.070 25836
969 1 4 . 1 1 51 51 LYS H H 51 7.824 7.824 8.112 -0.288 25836
970 1 4 . 1 1 52 52 VAL N N 52 116.071 116.071 115.820 0.251 25836
971 1 4 . 1 1 52 52 VAL HA H 52 4.303 4.303 3.572 0.731 25836
972 1 4 . 1 1 52 52 VAL CA C 52 57.941 57.941 60.421 -2.480 25836
973 1 4 . 1 1 52 52 VAL CB C 52 31.464 31.464 32.249 -0.785 25836
974 1 4 . 1 1 52 52 VAL H H 52 7.653 7.653 7.091 0.562 25836
975 1 4 . 1 1 53 53 ASN N N 53 123.498 123.498 119.076 4.422 25836
976 1 4 . 1 1 53 53 ASN HA H 53 4.374 4.374 4.551 -0.177 25836
977 1 4 . 1 1 53 53 ASN CA C 53 52.763 52.763 53.811 -1.048 25836
978 1 4 . 1 1 53 53 ASN CB C 53 37.419 37.419 39.028 -1.609 25836
979 1 4 . 1 1 53 53 ASN H H 53 8.495 8.495 7.860 0.635 25836
980 1 4 . 1 1 54 54 LYS N N 54 127.289 127.289 122.328 4.961 25836
981 1 4 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.109 0.235 25836
982 1 4 . 1 1 54 54 LYS CA C 54 53.397 53.397 57.907 -4.510 25836
983 1 4 . 1 1 54 54 LYS CB C 54 29.422 29.422 32.488 -3.066 25836
984 1 4 . 1 1 54 54 LYS H H 54 10.155 10.155 8.562 1.593 25836
985 1 4 . 1 1 55 55 CYS N N 55 124.019 124.019 119.646 4.373 25836
986 1 4 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.563 0.126 25836
987 1 4 . 1 1 55 55 CYS CA C 55 52.235 52.235 57.535 -5.300 25836
988 1 4 . 1 1 55 55 CYS CB C 55 40.134 40.134 26.829 13.305 25836
989 1 4 . 1 1 55 55 CYS H H 55 8.698 8.698 7.903 0.795 25836
990 1 4 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.417 0.172 25836
991 1 4 . 1 1 57 57 PRO CB C 57 29.744 29.744 32.364 -2.620 25836
992 1 4 . 1 1 58 58 ALA N N 58 123.825 123.825 120.135 3.690 25836
993 1 4 . 1 1 58 58 ALA HA H 58 4.351 4.351 4.354 -0.003 25836
994 1 4 . 1 1 58 58 ALA CA C 58 49.557 49.557 52.169 -2.612 25836
995 1 4 . 1 1 58 58 ALA CB C 58 16.910 16.910 19.674 -2.764 25836
996 1 4 . 1 1 58 58 ALA H H 58 8.426 8.426 8.197 0.229 25836
997 1 5 . 1 1 2 2 THR N N 2 112.683 112.683 116.580 -3.897 25836
998 1 5 . 1 1 2 2 THR HA H 2 4.483 4.483 4.624 -0.141 25836
999 1 5 . 1 1 2 2 THR H H 2 8.031 8.031 8.252 -0.221 25836
1000 1 5 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.699 -0.387 25836
1001 1 5 . 1 1 3 3 PRO CA C 3 51.149 51.149 62.417 -11.268 25836
1002 1 5 . 1 1 3 3 PRO CB C 3 29.323 29.323 32.750 -3.427 25836
1003 1 5 . 1 1 4 4 VAL N N 4 120.622 120.622 120.104 0.518 25836
1004 1 5 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.286 -0.016 25836
1005 1 5 . 1 1 4 4 VAL CA C 4 58.505 58.505 61.984 -3.479 25836
1006 1 5 . 1 1 4 4 VAL CB C 4 31.307 31.307 33.966 -2.659 25836
1007 1 5 . 1 1 4 4 VAL H H 4 8.113 8.113 8.078 0.035 25836
1008 1 5 . 1 1 5 5 GLY N N 5 115.132 115.132 114.265 0.867 25836
1009 1 5 . 1 1 5 5 GLY CA C 5 44.133 44.133 44.660 -0.527 25836
1010 1 5 . 1 1 5 5 GLY H H 5 8.736 8.736 8.468 0.268 25836
1011 1 5 . 1 1 6 6 ASN N N 6 123.501 123.501 121.222 2.279 25836
1012 1 5 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.557 0.171 25836
1013 1 5 . 1 1 6 6 ASN CA C 6 50.698 50.698 54.171 -3.473 25836
1014 1 5 . 1 1 6 6 ASN CB C 6 36.797 36.797 38.879 -2.082 25836
1015 1 5 . 1 1 6 6 ASN H H 6 9.148 9.148 8.809 0.339 25836
1016 1 5 . 1 1 7 7 ASN N N 7 118.968 118.968 117.797 1.171 25836
1017 1 5 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.734 0.561 25836
1018 1 5 . 1 1 7 7 ASN CA C 7 51.671 51.671 54.360 -2.689 25836
1019 1 5 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.462 1.139 25836
1020 1 5 . 1 1 7 7 ASN H H 7 8.515 8.515 8.190 0.325 25836
1021 1 5 . 1 1 8 8 LYS N N 8 123.142 123.142 121.554 1.588 25836
1022 1 5 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.262 -0.453 25836
1023 1 5 . 1 1 8 8 LYS CA C 8 55.264 55.264 56.063 -0.799 25836
1024 1 5 . 1 1 8 8 LYS CB C 8 29.383 29.383 32.320 -2.937 25836
1025 1 5 . 1 1 8 8 LYS H H 8 9.294 9.294 8.531 0.763 25836
1026 1 5 . 1 1 9 9 CYS N N 9 111.161 111.161 118.257 -7.096 25836
1027 1 5 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.188 -0.118 25836
1028 1 5 . 1 1 9 9 CYS CA C 9 51.847 51.847 59.539 -7.692 25836
1029 1 5 . 1 1 9 9 CYS CB C 9 32.263 32.263 25.508 6.755 25836
1030 1 5 . 1 1 9 9 CYS H H 9 6.690 6.690 7.898 -1.208 25836
1031 1 5 . 1 1 10 10 TRP N N 10 119.159 119.159 125.143 -5.984 25836
1032 1 5 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.500 0.437 25836
1033 1 5 . 1 1 10 10 TRP CA C 10 53.032 53.032 57.184 -4.152 25836
1034 1 5 . 1 1 10 10 TRP CB C 10 26.379 26.379 30.160 -3.781 25836
1035 1 5 . 1 1 10 10 TRP H H 10 8.232 8.232 8.175 0.057 25836
1036 1 5 . 1 1 11 11 ALA N N 11 119.150 119.150 122.410 -3.260 25836
1037 1 5 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.282 0.070 25836
1038 1 5 . 1 1 11 11 ALA CA C 11 49.381 49.381 51.601 -2.220 25836
1039 1 5 . 1 1 11 11 ALA CB C 11 17.253 17.253 19.471 -2.218 25836
1040 1 5 . 1 1 11 11 ALA H H 11 8.159 8.159 8.210 -0.051 25836
1041 1 5 . 1 1 12 12 ILE N N 12 121.974 121.974 123.520 -1.546 25836
1042 1 5 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.867 -0.268 25836
1043 1 5 . 1 1 12 12 ILE CA C 12 59.657 59.657 63.236 -3.579 25836
1044 1 5 . 1 1 12 12 ILE CB C 12 34.763 34.763 36.666 -1.903 25836
1045 1 5 . 1 1 12 12 ILE H H 12 8.448 8.448 8.678 -0.230 25836
1046 1 5 . 1 1 13 13 GLY N N 13 114.867 114.867 116.075 -1.208 25836
1047 1 5 . 1 1 13 13 GLY CA C 13 41.954 41.954 44.828 -2.874 25836
1048 1 5 . 1 1 13 13 GLY H H 13 9.649 9.649 8.930 0.719 25836
1049 1 5 . 1 1 14 14 THR N N 14 118.155 118.155 118.011 0.144 25836
1050 1 5 . 1 1 14 14 THR HA H 14 4.049 4.049 4.735 -0.686 25836
1051 1 5 . 1 1 14 14 THR CA C 14 61.464 61.464 61.256 0.208 25836
1052 1 5 . 1 1 14 14 THR CB C 14 67.426 67.426 69.559 -2.133 25836
1053 1 5 . 1 1 14 14 THR H H 14 8.076 8.076 7.978 0.098 25836
1054 1 5 . 1 1 15 15 THR N N 15 123.193 123.193 117.491 5.702 25836
1055 1 5 . 1 1 15 15 THR HA H 15 4.824 4.824 4.632 0.192 25836
1056 1 5 . 1 1 15 15 THR CA C 15 61.148 61.148 63.537 -2.389 25836
1057 1 5 . 1 1 15 15 THR CB C 15 66.798 66.798 69.523 -2.725 25836
1058 1 5 . 1 1 15 15 THR H H 15 8.498 8.498 8.392 0.106 25836
1059 1 5 . 1 1 16 16 CYS N N 16 119.932 119.932 121.220 -1.288 25836
1060 1 5 . 1 1 16 16 CYS HA H 16 5.510 5.510 4.417 1.093 25836
1061 1 5 . 1 1 16 16 CYS CA C 16 50.274 50.274 56.602 -6.328 25836
1062 1 5 . 1 1 16 16 CYS CB C 16 45.557 45.557 29.417 16.140 25836
1063 1 5 . 1 1 16 16 CYS H H 16 8.384 8.384 8.132 0.252 25836
1064 1 5 . 1 1 17 17 SER N N 17 114.553 114.553 116.591 -2.038 25836
1065 1 5 . 1 1 17 17 SER HA H 17 4.676 4.676 4.512 0.164 25836
1066 1 5 . 1 1 17 17 SER CA C 17 56.391 56.391 57.794 -1.403 25836
1067 1 5 . 1 1 17 17 SER CB C 17 62.251 62.251 63.540 -1.289 25836
1068 1 5 . 1 1 17 17 SER H H 17 9.853 9.853 8.571 1.282 25836
1069 1 5 . 1 1 18 18 ASP N N 18 119.019 119.019 120.244 -1.225 25836
1070 1 5 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.283 0.347 25836
1071 1 5 . 1 1 18 18 ASP CA C 18 50.649 50.649 55.794 -5.145 25836
1072 1 5 . 1 1 18 18 ASP CB C 18 41.339 41.339 39.761 1.578 25836
1073 1 5 . 1 1 18 18 ASP H H 18 7.767 7.767 8.001 -0.234 25836
1074 1 5 . 1 1 19 19 ASP N N 19 121.627 121.627 118.684 2.943 25836
1075 1 5 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.287 -0.041 25836
1076 1 5 . 1 1 19 19 ASP CA C 19 55.706 55.706 55.326 0.380 25836
1077 1 5 . 1 1 19 19 ASP CB C 19 37.099 37.099 40.263 -3.164 25836
1078 1 5 . 1 1 19 19 ASP H H 19 8.916 8.916 8.665 0.251 25836
1079 1 5 . 1 1 20 20 CYS N N 20 117.427 117.427 114.416 3.011 25836
1080 1 5 . 1 1 20 20 CYS HA H 20 4.689 4.689 4.013 0.676 25836
1081 1 5 . 1 1 20 20 CYS CA C 20 52.798 52.798 59.718 -6.920 25836
1082 1 5 . 1 1 20 20 CYS CB C 20 36.331 36.331 26.403 9.928 25836
1083 1 5 . 1 1 20 20 CYS H H 20 9.308 9.308 8.703 0.605 25836
1084 1 5 . 1 1 21 21 ASP N N 21 120.031 120.031 119.771 0.260 25836
1085 1 5 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.393 -0.665 25836
1086 1 5 . 1 1 21 21 ASP CA C 21 53.926 53.926 56.844 -2.918 25836
1087 1 5 . 1 1 21 21 ASP CB C 21 39.032 39.032 40.959 -1.927 25836
1088 1 5 . 1 1 21 21 ASP H H 21 7.897 7.897 7.823 0.074 25836
1089 1 5 . 1 1 22 22 CYS N N 22 112.949 112.949 114.374 -1.425 25836
1090 1 5 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.507 0.767 25836
1091 1 5 . 1 1 22 22 CYS CA C 22 48.641 48.641 58.665 -10.024 25836
1092 1 5 . 1 1 22 22 CYS CB C 22 36.172 36.172 28.772 7.400 25836
1093 1 5 . 1 1 22 22 CYS H H 22 7.120 7.120 7.628 -0.508 25836
1094 1 5 . 1 1 23 23 CYS N N 23 124.612 124.612 121.400 3.212 25836
1095 1 5 . 1 1 23 23 CYS H H 23 11.256 11.256 8.828 2.428 25836
1096 1 5 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.270 -0.224 25836
1097 1 5 . 1 1 24 24 PRO CA C 24 63.522 63.522 65.028 -1.506 25836
1098 1 5 . 1 1 24 24 PRO CB C 24 37.298 37.298 32.206 5.092 25836
1099 1 5 . 1 1 25 25 GLU N N 25 114.549 114.549 115.242 -0.693 25836
1100 1 5 . 1 1 25 25 GLU HA H 25 4.355 4.355 4.311 0.044 25836
1101 1 5 . 1 1 25 25 GLU CA C 25 54.444 54.444 55.460 -1.016 25836
1102 1 5 . 1 1 25 25 GLU CB C 25 25.751 25.751 28.395 -2.644 25836
1103 1 5 . 1 1 25 25 GLU H H 25 9.041 9.041 8.852 0.189 25836
1104 1 5 . 1 1 26 26 HIS N N 26 123.352 123.352 118.115 5.237 25836
1105 1 5 . 1 1 26 26 HIS HA H 26 5.408 5.408 5.438 -0.030 25836
1106 1 5 . 1 1 26 26 HIS CA C 26 50.399 50.399 55.540 -5.141 25836
1107 1 5 . 1 1 26 26 HIS CB C 26 33.143 33.143 33.695 -0.552 25836
1108 1 5 . 1 1 26 26 HIS H H 26 8.118 8.118 7.358 0.760 25836
1109 1 5 . 1 1 27 27 HIS N N 27 112.923 112.923 114.412 -1.489 25836
1110 1 5 . 1 1 27 27 HIS HA H 27 4.644 4.644 4.787 -0.143 25836
1111 1 5 . 1 1 27 27 HIS CA C 27 52.622 52.622 55.758 -3.136 25836
1112 1 5 . 1 1 27 27 HIS CB C 27 28.231 28.231 33.546 -5.315 25836
1113 1 5 . 1 1 27 27 HIS H H 27 9.365 9.365 8.874 0.491 25836
1114 1 5 . 1 1 28 28 CYS N N 28 121.103 121.103 120.388 0.715 25836
1115 1 5 . 1 1 28 28 CYS HA H 28 4.803 4.803 4.878 -0.075 25836
1116 1 5 . 1 1 28 28 CYS CA C 28 52.733 52.733 59.751 -7.018 25836
1117 1 5 . 1 1 28 28 CYS CB C 28 34.784 34.784 26.383 8.402 25836
1118 1 5 . 1 1 28 28 CYS H H 28 9.499 9.499 8.778 0.721 25836
1119 1 5 . 1 1 29 29 HIS N N 29 132.381 132.381 125.982 6.399 25836
1120 1 5 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.881 -0.357 25836
1121 1 5 . 1 1 29 29 HIS CA C 29 53.855 53.855 55.118 -1.263 25836
1122 1 5 . 1 1 29 29 HIS CB C 29 28.973 28.973 33.116 -4.143 25836
1123 1 5 . 1 1 29 29 HIS H H 29 8.938 8.938 9.194 -0.256 25836
1124 1 5 . 1 1 30 30 CYS N N 30 127.165 127.165 126.305 0.860 25836
1125 1 5 . 1 1 30 30 CYS HA H 30 5.146 5.146 4.739 0.407 25836
1126 1 5 . 1 1 30 30 CYS CA C 30 48.824 48.824 56.167 -7.343 25836
1127 1 5 . 1 1 30 30 CYS CB C 30 41.470 41.470 27.462 14.008 25836
1128 1 5 . 1 1 30 30 CYS H H 30 8.400 8.400 8.735 -0.335 25836
1129 1 5 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.395 -0.119 25836
1130 1 5 . 1 1 31 31 PRO CA C 31 60.702 60.702 62.415 -1.713 25836
1131 1 5 . 1 1 31 31 PRO CB C 31 29.441 29.441 32.074 -2.633 25836
1132 1 5 . 1 1 32 32 ALA N N 32 122.630 122.630 120.867 1.763 25836
1133 1 5 . 1 1 32 32 ALA HA H 32 4.430 4.430 4.558 -0.128 25836
1134 1 5 . 1 1 32 32 ALA CA C 32 49.453 49.453 51.739 -2.286 25836
1135 1 5 . 1 1 32 32 ALA CB C 32 16.936 16.936 19.653 -2.717 25836
1136 1 5 . 1 1 32 32 ALA H H 32 8.367 8.367 8.059 0.308 25836
1137 1 5 . 1 1 33 33 GLY N N 33 107.375 107.375 110.771 -3.396 25836
1138 1 5 . 1 1 33 33 GLY CA C 33 42.443 42.443 44.895 -2.452 25836
1139 1 5 . 1 1 33 33 GLY H H 33 8.097 8.097 8.338 -0.241 25836
1140 1 5 . 1 1 34 34 LYS N N 34 119.653 119.653 120.914 -1.261 25836
1141 1 5 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.215 0.099 25836
1142 1 5 . 1 1 34 34 LYS CA C 34 61.156 61.156 56.041 5.115 25836
1143 1 5 . 1 1 34 34 LYS CB C 34 30.378 30.378 33.036 -2.658 25836
1144 1 5 . 1 1 34 34 LYS H H 34 7.852 7.852 8.360 -0.508 25836
1145 1 5 . 1 1 35 35 TRP N N 35 122.428 122.428 122.386 0.042 25836
1146 1 5 . 1 1 35 35 TRP CB C 35 27.248 27.248 28.404 -1.156 25836
1147 1 5 . 1 1 35 35 TRP H H 35 8.130 8.130 8.286 -0.156 25836
1148 1 5 . 1 1 36 36 LEU N N 36 125.209 125.209 124.170 1.039 25836
1149 1 5 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.828 0.721 25836
1150 1 5 . 1 1 36 36 LEU CA C 36 50.156 50.156 54.591 -4.435 25836
1151 1 5 . 1 1 36 36 LEU CB C 36 40.225 40.225 41.172 -0.947 25836
1152 1 5 . 1 1 36 36 LEU H H 36 7.460 7.460 7.889 -0.429 25836
1153 1 5 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.490 -0.189 25836
1154 1 5 . 1 1 37 37 PRO CA C 37 56.645 56.645 62.453 -5.808 25836
1155 1 5 . 1 1 38 38 GLY N N 38 109.686 109.686 106.602 3.084 25836
1156 1 5 . 1 1 38 38 GLY CA C 38 42.884 42.884 44.977 -2.093 25836
1157 1 5 . 1 1 38 38 GLY H H 38 8.480 8.480 8.363 0.117 25836
1158 1 5 . 1 1 39 39 LEU N N 39 121.083 121.083 119.805 1.278 25836
1159 1 5 . 1 1 39 39 LEU HA H 39 4.360 4.360 4.191 0.169 25836
1160 1 5 . 1 1 39 39 LEU CA C 39 52.798 52.798 55.655 -2.857 25836
1161 1 5 . 1 1 39 39 LEU CB C 39 40.369 40.369 41.980 -1.611 25836
1162 1 5 . 1 1 39 39 LEU H H 39 7.847 7.847 7.562 0.285 25836
1163 1 5 . 1 1 40 40 PHE N N 40 118.886 118.886 118.506 0.380 25836
1164 1 5 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.333 0.241 25836
1165 1 5 . 1 1 40 40 PHE CA C 40 54.489 54.489 58.323 -3.834 25836
1166 1 5 . 1 1 40 40 PHE CB C 40 37.271 37.271 39.519 -2.248 25836
1167 1 5 . 1 1 40 40 PHE H H 40 7.868 7.868 7.482 0.386 25836
1168 1 5 . 1 1 41 41 ARG N N 41 121.171 121.171 119.522 1.649 25836
1169 1 5 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.271 0.145 25836
1170 1 5 . 1 1 41 41 ARG CA C 41 52.974 52.974 56.734 -3.760 25836
1171 1 5 . 1 1 41 41 ARG CB C 41 29.148 29.148 31.296 -2.148 25836
1172 1 5 . 1 1 41 41 ARG H H 41 7.888 7.888 8.636 -0.748 25836
1173 1 5 . 1 1 42 42 CYS N N 42 123.035 123.035 116.418 6.617 25836
1174 1 5 . 1 1 42 42 CYS HA H 42 5.446 5.446 4.930 0.516 25836
1175 1 5 . 1 1 42 42 CYS CA C 42 53.979 53.979 57.653 -3.674 25836
1176 1 5 . 1 1 42 42 CYS CB C 42 45.543 45.543 29.766 15.777 25836
1177 1 5 . 1 1 42 42 CYS H H 42 8.731 8.731 8.662 0.069 25836
1178 1 5 . 1 1 43 43 THR N N 43 111.223 111.223 112.302 -1.079 25836
1179 1 5 . 1 1 43 43 THR HA H 43 5.402 5.402 4.825 0.577 25836
1180 1 5 . 1 1 43 43 THR CA C 43 57.581 57.581 59.819 -2.238 25836
1181 1 5 . 1 1 43 43 THR CB C 43 71.715 71.715 70.597 1.118 25836
1182 1 5 . 1 1 43 43 THR H H 43 8.659 8.659 8.610 0.049 25836
1183 1 5 . 1 1 44 44 CYS N N 44 120.754 120.754 124.521 -3.767 25836
1184 1 5 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.264 0.065 25836
1185 1 5 . 1 1 44 44 CYS CA C 44 52.398 52.398 59.381 -6.983 25836
1186 1 5 . 1 1 44 44 CYS CB C 44 36.766 36.766 26.474 10.291 25836
1187 1 5 . 1 1 44 44 CYS H H 44 8.404 8.404 8.871 -0.467 25836
1188 1 5 . 1 1 45 45 GLN N N 45 121.589 121.589 125.570 -3.981 25836
1189 1 5 . 1 1 45 45 GLN HA H 45 4.695 4.695 4.904 -0.209 25836
1190 1 5 . 1 1 45 45 GLN CA C 45 51.495 51.495 54.935 -3.440 25836
1191 1 5 . 1 1 45 45 GLN CB C 45 31.136 31.136 34.079 -2.943 25836
1192 1 5 . 1 1 45 45 GLN H H 45 9.247 9.247 9.077 0.170 25836
1193 1 5 . 1 1 46 46 VAL N N 46 119.594 119.594 120.530 -0.936 25836
1194 1 5 . 1 1 46 46 VAL HA H 46 4.149 4.149 3.393 0.756 25836
1195 1 5 . 1 1 46 46 VAL CA C 46 61.358 61.358 62.930 -1.572 25836
1196 1 5 . 1 1 46 46 VAL CB C 46 29.629 29.629 32.338 -2.709 25836
1197 1 5 . 1 1 46 46 VAL H H 46 8.703 8.703 8.355 0.348 25836
1198 1 5 . 1 1 47 47 THR N N 47 118.278 118.278 122.083 -3.805 25836
1199 1 5 . 1 1 47 47 THR HA H 47 4.169 4.169 4.456 -0.287 25836
1200 1 5 . 1 1 47 47 THR CA C 47 59.491 59.491 61.315 -1.824 25836
1201 1 5 . 1 1 47 47 THR CB C 47 66.789 66.789 69.136 -2.347 25836
1202 1 5 . 1 1 47 47 THR H H 47 8.002 8.002 8.208 -0.206 25836
1203 1 5 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.334 0.128 25836
1204 1 5 . 1 1 49 49 SER N N 49 114.478 114.478 114.746 -0.268 25836
1205 1 5 . 1 1 49 49 SER HA H 49 4.291 4.291 4.374 -0.083 25836
1206 1 5 . 1 1 49 49 SER CA C 49 51.081 51.081 58.398 -7.317 25836
1207 1 5 . 1 1 49 49 SER CB C 49 60.846 60.846 63.886 -3.040 25836
1208 1 5 . 1 1 49 49 SER H H 49 8.304 8.304 7.850 0.454 25836
1209 1 5 . 1 1 50 50 ASP N N 50 118.750 118.750 119.099 -0.349 25836
1210 1 5 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.657 -0.076 25836
1211 1 5 . 1 1 50 50 ASP CA C 50 51.426 51.426 54.481 -3.055 25836
1212 1 5 . 1 1 50 50 ASP CB C 50 37.727 37.727 40.780 -3.053 25836
1213 1 5 . 1 1 50 50 ASP H H 50 8.469 8.469 8.542 -0.073 25836
1214 1 5 . 1 1 51 51 LYS N N 51 120.789 120.789 120.351 0.438 25836
1215 1 5 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.645 -0.186 25836
1216 1 5 . 1 1 51 51 LYS CA C 51 52.869 52.869 55.344 -2.475 25836
1217 1 5 . 1 1 51 51 LYS CB C 51 26.190 26.190 33.425 -7.235 25836
1218 1 5 . 1 1 51 51 LYS H H 51 7.824 7.824 8.137 -0.313 25836
1219 1 5 . 1 1 52 52 VAL N N 52 116.071 116.071 119.944 -3.873 25836
1220 1 5 . 1 1 52 52 VAL HA H 52 4.303 4.303 4.400 -0.097 25836
1221 1 5 . 1 1 52 52 VAL CA C 52 57.941 57.941 58.435 -0.494 25836
1222 1 5 . 1 1 52 52 VAL CB C 52 31.464 31.464 33.440 -1.976 25836
1223 1 5 . 1 1 52 52 VAL H H 52 7.653 7.653 8.267 -0.614 25836
1224 1 5 . 1 1 53 53 ASN N N 53 123.498 123.498 120.219 3.279 25836
1225 1 5 . 1 1 53 53 ASN HA H 53 4.374 4.374 3.774 0.600 25836
1226 1 5 . 1 1 53 53 ASN CA C 53 52.763 52.763 53.504 -0.741 25836
1227 1 5 . 1 1 53 53 ASN CB C 53 37.419 37.419 39.177 -1.758 25836
1228 1 5 . 1 1 53 53 ASN H H 53 8.495 8.495 8.026 0.469 25836
1229 1 5 . 1 1 54 54 LYS N N 54 127.289 127.289 120.404 6.885 25836
1230 1 5 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.078 0.266 25836
1231 1 5 . 1 1 54 54 LYS CA C 54 53.397 53.397 57.502 -4.105 25836
1232 1 5 . 1 1 54 54 LYS CB C 54 29.422 29.422 31.820 -2.398 25836
1233 1 5 . 1 1 54 54 LYS H H 54 10.155 10.155 8.429 1.726 25836
1234 1 5 . 1 1 55 55 CYS N N 55 124.019 124.019 122.121 1.898 25836
1235 1 5 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.716 -0.027 25836
1236 1 5 . 1 1 55 55 CYS CA C 55 52.235 52.235 57.891 -5.656 25836
1237 1 5 . 1 1 55 55 CYS CB C 55 40.134 40.134 26.689 13.445 25836
1238 1 5 . 1 1 55 55 CYS H H 55 8.698 8.698 8.617 0.081 25836
1239 1 5 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.433 0.156 25836
1240 1 5 . 1 1 57 57 PRO CB C 57 29.744 29.744 32.580 -2.836 25836
1241 1 5 . 1 1 58 58 ALA N N 58 123.825 123.825 122.174 1.651 25836
1242 1 5 . 1 1 58 58 ALA HA H 58 4.351 4.351 4.396 -0.045 25836
1243 1 5 . 1 1 58 58 ALA CA C 58 49.557 49.557 52.825 -3.268 25836
1244 1 5 . 1 1 58 58 ALA CB C 58 16.910 16.910 19.340 -2.430 25836
1245 1 5 . 1 1 58 58 ALA H H 58 8.426 8.426 8.381 0.045 25836
1246 1 6 . 1 1 2 2 THR N N 2 112.683 112.683 115.351 -2.668 25836
1247 1 6 . 1 1 2 2 THR HA H 2 4.483 4.483 4.683 -0.200 25836
1248 1 6 . 1 1 2 2 THR H H 2 8.031 8.031 8.475 -0.444 25836
1249 1 6 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.632 -0.320 25836
1250 1 6 . 1 1 3 3 PRO CA C 3 51.149 51.149 62.431 -11.283 25836
1251 1 6 . 1 1 3 3 PRO CB C 3 29.323 29.323 32.826 -3.503 25836
1252 1 6 . 1 1 4 4 VAL N N 4 120.622 120.622 118.324 2.298 25836
1253 1 6 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.466 -0.196 25836
1254 1 6 . 1 1 4 4 VAL CA C 4 58.505 58.505 61.248 -2.743 25836
1255 1 6 . 1 1 4 4 VAL CB C 4 31.307 31.307 32.714 -1.407 25836
1256 1 6 . 1 1 4 4 VAL H H 4 8.113 8.113 8.050 0.063 25836
1257 1 6 . 1 1 5 5 GLY N N 5 115.132 115.132 113.472 1.660 25836
1258 1 6 . 1 1 5 5 GLY CA C 5 44.133 44.133 45.170 -1.038 25836
1259 1 6 . 1 1 5 5 GLY H H 5 8.736 8.736 8.730 0.006 25836
1260 1 6 . 1 1 6 6 ASN N N 6 123.501 123.501 118.778 4.723 25836
1261 1 6 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.654 0.074 25836
1262 1 6 . 1 1 6 6 ASN CA C 6 50.698 50.698 53.413 -2.715 25836
1263 1 6 . 1 1 6 6 ASN CB C 6 36.797 36.797 39.529 -2.732 25836
1264 1 6 . 1 1 6 6 ASN H H 6 9.148 9.148 8.723 0.425 25836
1265 1 6 . 1 1 7 7 ASN N N 7 118.968 118.968 118.830 0.138 25836
1266 1 6 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.757 0.538 25836
1267 1 6 . 1 1 7 7 ASN CA C 7 51.671 51.671 54.173 -2.502 25836
1268 1 6 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.298 1.303 25836
1269 1 6 . 1 1 7 7 ASN H H 7 8.515 8.515 8.396 0.119 25836
1270 1 6 . 1 1 8 8 LYS N N 8 123.142 123.142 122.334 0.808 25836
1271 1 6 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.304 -0.495 25836
1272 1 6 . 1 1 8 8 LYS CA C 8 55.264 55.264 56.861 -1.597 25836
1273 1 6 . 1 1 8 8 LYS CB C 8 29.383 29.383 33.085 -3.702 25836
1274 1 6 . 1 1 8 8 LYS H H 8 9.294 9.294 8.660 0.634 25836
1275 1 6 . 1 1 9 9 CYS N N 9 111.161 111.161 119.634 -8.473 25836
1276 1 6 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.209 -0.139 25836
1277 1 6 . 1 1 9 9 CYS CA C 9 51.847 51.847 59.018 -7.171 25836
1278 1 6 . 1 1 9 9 CYS CB C 9 32.263 32.263 25.181 7.082 25836
1279 1 6 . 1 1 9 9 CYS H H 9 6.690 6.690 8.149 -1.459 25836
1280 1 6 . 1 1 10 10 TRP N N 10 119.159 119.159 126.047 -6.888 25836
1281 1 6 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.483 0.454 25836
1282 1 6 . 1 1 10 10 TRP CA C 10 53.032 53.032 57.579 -4.547 25836
1283 1 6 . 1 1 10 10 TRP CB C 10 26.379 26.379 30.388 -4.009 25836
1284 1 6 . 1 1 10 10 TRP H H 10 8.232 8.232 7.869 0.363 25836
1285 1 6 . 1 1 11 11 ALA N N 11 119.150 119.150 122.882 -3.732 25836
1286 1 6 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.286 0.066 25836
1287 1 6 . 1 1 11 11 ALA CA C 11 49.381 49.381 51.864 -2.483 25836
1288 1 6 . 1 1 11 11 ALA CB C 11 17.253 17.253 19.474 -2.221 25836
1289 1 6 . 1 1 11 11 ALA H H 11 8.159 8.159 8.304 -0.145 25836
1290 1 6 . 1 1 12 12 ILE N N 12 121.974 121.974 123.705 -1.731 25836
1291 1 6 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.842 -0.243 25836
1292 1 6 . 1 1 12 12 ILE CA C 12 59.657 59.657 61.965 -2.308 25836
1293 1 6 . 1 1 12 12 ILE CB C 12 34.763 34.763 35.797 -1.034 25836
1294 1 6 . 1 1 12 12 ILE H H 12 8.448 8.448 8.638 -0.190 25836
1295 1 6 . 1 1 13 13 GLY N N 13 114.867 114.867 116.967 -2.100 25836
1296 1 6 . 1 1 13 13 GLY CA C 13 41.954 41.954 44.990 -3.036 25836
1297 1 6 . 1 1 13 13 GLY H H 13 9.649 9.649 8.975 0.674 25836
1298 1 6 . 1 1 14 14 THR N N 14 118.155 118.155 117.142 1.013 25836
1299 1 6 . 1 1 14 14 THR HA H 14 4.049 4.049 4.667 -0.618 25836
1300 1 6 . 1 1 14 14 THR CA C 14 61.464 61.464 61.392 0.072 25836
1301 1 6 . 1 1 14 14 THR CB C 14 67.426 67.426 69.894 -2.468 25836
1302 1 6 . 1 1 14 14 THR H H 14 8.076 8.076 7.959 0.117 25836
1303 1 6 . 1 1 15 15 THR N N 15 123.193 123.193 116.269 6.924 25836
1304 1 6 . 1 1 15 15 THR HA H 15 4.824 4.824 4.527 0.297 25836
1305 1 6 . 1 1 15 15 THR CA C 15 61.148 61.148 61.892 -0.744 25836
1306 1 6 . 1 1 15 15 THR CB C 15 66.798 66.798 69.543 -2.745 25836
1307 1 6 . 1 1 15 15 THR H H 15 8.498 8.498 8.413 0.085 25836
1308 1 6 . 1 1 16 16 CYS N N 16 119.932 119.932 121.048 -1.116 25836
1309 1 6 . 1 1 16 16 CYS HA H 16 5.510 5.510 4.604 0.906 25836
1310 1 6 . 1 1 16 16 CYS CA C 16 50.274 50.274 55.919 -5.645 25836
1311 1 6 . 1 1 16 16 CYS CB C 16 45.557 45.557 29.592 15.965 25836
1312 1 6 . 1 1 16 16 CYS H H 16 8.384 8.384 8.163 0.221 25836
1313 1 6 . 1 1 17 17 SER N N 17 114.553 114.553 115.982 -1.429 25836
1314 1 6 . 1 1 17 17 SER HA H 17 4.676 4.676 4.414 0.262 25836
1315 1 6 . 1 1 17 17 SER CA C 17 56.391 56.391 57.777 -1.386 25836
1316 1 6 . 1 1 17 17 SER CB C 17 62.251 62.251 64.055 -1.804 25836
1317 1 6 . 1 1 17 17 SER H H 17 9.853 9.853 8.356 1.497 25836
1318 1 6 . 1 1 18 18 ASP N N 18 119.019 119.019 121.059 -2.040 25836
1319 1 6 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.238 0.392 25836
1320 1 6 . 1 1 18 18 ASP CA C 18 50.649 50.649 56.209 -5.560 25836
1321 1 6 . 1 1 18 18 ASP CB C 18 41.339 41.339 41.405 -0.066 25836
1322 1 6 . 1 1 18 18 ASP H H 18 7.767 7.767 7.842 -0.075 25836
1323 1 6 . 1 1 19 19 ASP N N 19 121.627 121.627 117.134 4.493 25836
1324 1 6 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.290 -0.044 25836
1325 1 6 . 1 1 19 19 ASP CA C 19 55.706 55.706 55.459 0.247 25836
1326 1 6 . 1 1 19 19 ASP CB C 19 37.099 37.099 40.008 -2.909 25836
1327 1 6 . 1 1 19 19 ASP H H 19 8.916 8.916 8.723 0.193 25836
1328 1 6 . 1 1 20 20 CYS N N 20 117.427 117.427 114.974 2.453 25836
1329 1 6 . 1 1 20 20 CYS HA H 20 4.689 4.689 4.102 0.587 25836
1330 1 6 . 1 1 20 20 CYS CA C 20 52.798 52.798 59.875 -7.077 25836
1331 1 6 . 1 1 20 20 CYS CB C 20 36.331 36.331 26.066 10.265 25836
1332 1 6 . 1 1 20 20 CYS H H 20 9.308 9.308 8.630 0.678 25836
1333 1 6 . 1 1 21 21 ASP N N 21 120.031 120.031 120.059 -0.028 25836
1334 1 6 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.365 -0.637 25836
1335 1 6 . 1 1 21 21 ASP CA C 21 53.926 53.926 57.613 -3.687 25836
1336 1 6 . 1 1 21 21 ASP CB C 21 39.032 39.032 40.990 -1.958 25836
1337 1 6 . 1 1 21 21 ASP H H 21 7.897 7.897 8.157 -0.260 25836
1338 1 6 . 1 1 22 22 CYS N N 22 112.949 112.949 116.379 -3.430 25836
1339 1 6 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.516 0.758 25836
1340 1 6 . 1 1 22 22 CYS CA C 22 48.641 48.641 58.842 -10.201 25836
1341 1 6 . 1 1 22 22 CYS CB C 22 36.172 36.172 28.247 7.925 25836
1342 1 6 . 1 1 22 22 CYS H H 22 7.120 7.120 8.066 -0.946 25836
1343 1 6 . 1 1 23 23 CYS N N 23 124.612 124.612 124.189 0.423 25836
1344 1 6 . 1 1 23 23 CYS H H 23 11.256 11.256 8.745 2.511 25836
1345 1 6 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.327 -0.281 25836
1346 1 6 . 1 1 24 24 PRO CA C 24 63.522 63.522 64.925 -1.403 25836
1347 1 6 . 1 1 24 24 PRO CB C 24 37.298 37.298 31.865 5.433 25836
1348 1 6 . 1 1 25 25 GLU N N 25 114.549 114.549 117.465 -2.916 25836
1349 1 6 . 1 1 25 25 GLU HA H 25 4.355 4.355 4.447 -0.092 25836
1350 1 6 . 1 1 25 25 GLU CA C 25 54.444 54.444 56.515 -2.071 25836
1351 1 6 . 1 1 25 25 GLU CB C 25 25.751 25.751 29.709 -3.958 25836
1352 1 6 . 1 1 25 25 GLU H H 25 9.041 9.041 8.718 0.323 25836
1353 1 6 . 1 1 26 26 HIS N N 26 123.352 123.352 116.782 6.570 25836
1354 1 6 . 1 1 26 26 HIS HA H 26 5.408 5.408 5.122 0.286 25836
1355 1 6 . 1 1 26 26 HIS CA C 26 50.399 50.399 55.428 -5.029 25836
1356 1 6 . 1 1 26 26 HIS CB C 26 33.143 33.143 33.545 -0.402 25836
1357 1 6 . 1 1 26 26 HIS H H 26 8.118 8.118 7.615 0.503 25836
1358 1 6 . 1 1 27 27 HIS N N 27 112.923 112.923 116.070 -3.147 25836
1359 1 6 . 1 1 27 27 HIS HA H 27 4.644 4.644 4.955 -0.311 25836
1360 1 6 . 1 1 27 27 HIS CA C 27 52.622 52.622 54.491 -1.869 25836
1361 1 6 . 1 1 27 27 HIS CB C 27 28.231 28.231 31.271 -3.040 25836
1362 1 6 . 1 1 27 27 HIS H H 27 9.365 9.365 9.588 -0.223 25836
1363 1 6 . 1 1 28 28 CYS N N 28 121.103 121.103 121.434 -0.331 25836
1364 1 6 . 1 1 28 28 CYS HA H 28 4.803 4.803 4.760 0.043 25836
1365 1 6 . 1 1 28 28 CYS CA C 28 52.733 52.733 58.490 -5.757 25836
1366 1 6 . 1 1 28 28 CYS CB C 28 34.784 34.784 26.242 8.542 25836
1367 1 6 . 1 1 28 28 CYS H H 28 9.499 9.499 8.830 0.669 25836
1368 1 6 . 1 1 29 29 HIS N N 29 132.381 132.381 126.863 5.518 25836
1369 1 6 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.365 0.159 25836
1370 1 6 . 1 1 29 29 HIS CA C 29 53.855 53.855 56.117 -2.262 25836
1371 1 6 . 1 1 29 29 HIS CB C 29 28.973 28.973 30.067 -1.094 25836
1372 1 6 . 1 1 29 29 HIS H H 29 8.938 8.938 8.860 0.078 25836
1373 1 6 . 1 1 30 30 CYS N N 30 127.165 127.165 128.324 -1.159 25836
1374 1 6 . 1 1 30 30 CYS HA H 30 5.146 5.146 4.762 0.384 25836
1375 1 6 . 1 1 30 30 CYS CA C 30 48.824 48.824 56.498 -7.674 25836
1376 1 6 . 1 1 30 30 CYS CB C 30 41.470 41.470 26.028 15.442 25836
1377 1 6 . 1 1 30 30 CYS H H 30 8.400 8.400 8.809 -0.409 25836
1378 1 6 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.250 0.026 25836
1379 1 6 . 1 1 31 31 PRO CA C 31 60.702 60.702 62.102 -1.400 25836
1380 1 6 . 1 1 31 31 PRO CB C 31 29.441 29.441 32.455 -3.014 25836
1381 1 6 . 1 1 32 32 ALA N N 32 122.630 122.630 120.673 1.957 25836
1382 1 6 . 1 1 32 32 ALA HA H 32 4.430 4.430 2.894 1.536 25836
1383 1 6 . 1 1 32 32 ALA CA C 32 49.453 49.453 50.908 -1.456 25836
1384 1 6 . 1 1 32 32 ALA CB C 32 16.936 16.936 20.994 -4.058 25836
1385 1 6 . 1 1 32 32 ALA H H 32 8.367 8.367 7.757 0.610 25836
1386 1 6 . 1 1 33 33 GLY N N 33 107.375 107.375 109.315 -1.940 25836
1387 1 6 . 1 1 33 33 GLY CA C 33 42.443 42.443 43.988 -1.545 25836
1388 1 6 . 1 1 33 33 GLY H H 33 8.097 8.097 8.024 0.073 25836
1389 1 6 . 1 1 34 34 LYS N N 34 119.653 119.653 121.584 -1.931 25836
1390 1 6 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.142 0.172 25836
1391 1 6 . 1 1 34 34 LYS CA C 34 61.156 61.156 56.333 4.823 25836
1392 1 6 . 1 1 34 34 LYS CB C 34 30.378 30.378 33.017 -2.639 25836
1393 1 6 . 1 1 34 34 LYS H H 34 7.852 7.852 8.551 -0.699 25836
1394 1 6 . 1 1 35 35 TRP N N 35 122.428 122.428 121.412 1.016 25836
1395 1 6 . 1 1 35 35 TRP CB C 35 27.248 27.248 29.172 -1.924 25836
1396 1 6 . 1 1 35 35 TRP H H 35 8.130 8.130 8.362 -0.232 25836
1397 1 6 . 1 1 36 36 LEU N N 36 125.209 125.209 123.062 2.147 25836
1398 1 6 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.908 0.641 25836
1399 1 6 . 1 1 36 36 LEU CA C 36 50.156 50.156 54.577 -4.421 25836
1400 1 6 . 1 1 36 36 LEU CB C 36 40.225 40.225 39.920 0.305 25836
1401 1 6 . 1 1 36 36 LEU H H 36 7.460 7.460 8.198 -0.738 25836
1402 1 6 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.865 -0.564 25836
1403 1 6 . 1 1 37 37 PRO CA C 37 56.645 56.645 63.503 -6.858 25836
1404 1 6 . 1 1 38 38 GLY N N 38 109.686 109.686 111.415 -1.729 25836
1405 1 6 . 1 1 38 38 GLY CA C 38 42.884 42.884 44.960 -2.076 25836
1406 1 6 . 1 1 38 38 GLY H H 38 8.480 8.480 8.343 0.137 25836
1407 1 6 . 1 1 39 39 LEU N N 39 121.083 121.083 120.595 0.488 25836
1408 1 6 . 1 1 39 39 LEU HA H 39 4.360 4.360 4.170 0.190 25836
1409 1 6 . 1 1 39 39 LEU CA C 39 52.798 52.798 55.567 -2.769 25836
1410 1 6 . 1 1 39 39 LEU CB C 39 40.369 40.369 42.188 -1.819 25836
1411 1 6 . 1 1 39 39 LEU H H 39 7.847 7.847 7.872 -0.025 25836
1412 1 6 . 1 1 40 40 PHE N N 40 118.886 118.886 118.310 0.576 25836
1413 1 6 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.350 0.224 25836
1414 1 6 . 1 1 40 40 PHE CA C 40 54.489 54.489 57.135 -2.646 25836
1415 1 6 . 1 1 40 40 PHE CB C 40 37.271 37.271 39.248 -1.977 25836
1416 1 6 . 1 1 40 40 PHE H H 40 7.868 7.868 7.688 0.180 25836
1417 1 6 . 1 1 41 41 ARG N N 41 121.171 121.171 122.542 -1.371 25836
1418 1 6 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.616 -0.200 25836
1419 1 6 . 1 1 41 41 ARG CA C 41 52.974 52.974 54.583 -1.609 25836
1420 1 6 . 1 1 41 41 ARG CB C 41 29.148 29.148 31.543 -2.395 25836
1421 1 6 . 1 1 41 41 ARG H H 41 7.888 7.888 8.312 -0.424 25836
1422 1 6 . 1 1 42 42 CYS N N 42 123.035 123.035 117.937 5.098 25836
1423 1 6 . 1 1 42 42 CYS HA H 42 5.446 5.446 5.397 0.049 25836
1424 1 6 . 1 1 42 42 CYS CA C 42 53.979 53.979 57.661 -3.682 25836
1425 1 6 . 1 1 42 42 CYS CB C 42 45.543 45.543 29.420 16.123 25836
1426 1 6 . 1 1 42 42 CYS H H 42 8.731 8.731 8.519 0.212 25836
1427 1 6 . 1 1 43 43 THR N N 43 111.223 111.223 111.396 -0.173 25836
1428 1 6 . 1 1 43 43 THR HA H 43 5.402 5.402 4.907 0.495 25836
1429 1 6 . 1 1 43 43 THR CA C 43 57.581 57.581 60.309 -2.728 25836
1430 1 6 . 1 1 43 43 THR CB C 43 71.715 71.715 71.500 0.215 25836
1431 1 6 . 1 1 43 43 THR H H 43 8.659 8.659 8.557 0.102 25836
1432 1 6 . 1 1 44 44 CYS N N 44 120.754 120.754 123.908 -3.154 25836
1433 1 6 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.292 0.037 25836
1434 1 6 . 1 1 44 44 CYS CA C 44 52.398 52.398 59.442 -7.044 25836
1435 1 6 . 1 1 44 44 CYS CB C 44 36.766 36.766 26.537 10.229 25836
1436 1 6 . 1 1 44 44 CYS H H 44 8.404 8.404 8.864 -0.460 25836
1437 1 6 . 1 1 45 45 GLN N N 45 121.589 121.589 124.408 -2.819 25836
1438 1 6 . 1 1 45 45 GLN HA H 45 4.695 4.695 4.951 -0.256 25836
1439 1 6 . 1 1 45 45 GLN CA C 45 51.495 51.495 53.570 -2.075 25836
1440 1 6 . 1 1 45 45 GLN CB C 45 31.136 31.136 33.557 -2.421 25836
1441 1 6 . 1 1 45 45 GLN H H 45 9.247 9.247 8.983 0.264 25836
1442 1 6 . 1 1 46 46 VAL N N 46 119.594 119.594 120.266 -0.672 25836
1443 1 6 . 1 1 46 46 VAL HA H 46 4.149 4.149 3.211 0.938 25836
1444 1 6 . 1 1 46 46 VAL CA C 46 61.358 61.358 63.512 -2.154 25836
1445 1 6 . 1 1 46 46 VAL CB C 46 29.629 29.629 31.613 -1.984 25836
1446 1 6 . 1 1 46 46 VAL H H 46 8.703 8.703 8.565 0.138 25836
1447 1 6 . 1 1 47 47 THR N N 47 118.278 118.278 115.918 2.360 25836
1448 1 6 . 1 1 47 47 THR HA H 47 4.169 4.169 3.820 0.349 25836
1449 1 6 . 1 1 47 47 THR CA C 47 59.491 59.491 62.850 -3.359 25836
1450 1 6 . 1 1 47 47 THR CB C 47 66.789 66.789 68.406 -1.617 25836
1451 1 6 . 1 1 47 47 THR H H 47 8.002 8.002 8.075 -0.073 25836
1452 1 6 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.226 0.236 25836
1453 1 6 . 1 1 49 49 SER N N 49 114.478 114.478 115.169 -0.691 25836
1454 1 6 . 1 1 49 49 SER HA H 49 4.291 4.291 4.355 -0.064 25836
1455 1 6 . 1 1 49 49 SER CA C 49 51.081 51.081 57.681 -6.600 25836
1456 1 6 . 1 1 49 49 SER CB C 49 60.846 60.846 64.162 -3.316 25836
1457 1 6 . 1 1 49 49 SER H H 49 8.304 8.304 7.748 0.556 25836
1458 1 6 . 1 1 50 50 ASP N N 50 118.750 118.750 119.414 -0.664 25836
1459 1 6 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.549 0.032 25836
1460 1 6 . 1 1 50 50 ASP CA C 50 51.426 51.426 55.703 -4.277 25836
1461 1 6 . 1 1 50 50 ASP CB C 50 37.727 37.727 40.832 -3.105 25836
1462 1 6 . 1 1 50 50 ASP H H 50 8.469 8.469 8.564 -0.095 25836
1463 1 6 . 1 1 51 51 LYS N N 51 120.789 120.789 121.896 -1.107 25836
1464 1 6 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.428 0.031 25836
1465 1 6 . 1 1 51 51 LYS CA C 51 52.869 52.869 55.899 -3.030 25836
1466 1 6 . 1 1 51 51 LYS CB C 51 26.190 26.190 32.481 -6.291 25836
1467 1 6 . 1 1 51 51 LYS H H 51 7.824 7.824 8.264 -0.440 25836
1468 1 6 . 1 1 52 52 VAL N N 52 116.071 116.071 117.804 -1.733 25836
1469 1 6 . 1 1 52 52 VAL HA H 52 4.303 4.303 4.521 -0.218 25836
1470 1 6 . 1 1 52 52 VAL CA C 52 57.941 57.941 59.185 -1.244 25836
1471 1 6 . 1 1 52 52 VAL CB C 52 31.464 31.464 33.517 -2.053 25836
1472 1 6 . 1 1 52 52 VAL H H 52 7.653 7.653 7.878 -0.225 25836
1473 1 6 . 1 1 53 53 ASN N N 53 123.498 123.498 120.138 3.360 25836
1474 1 6 . 1 1 53 53 ASN HA H 53 4.374 4.374 4.570 -0.196 25836
1475 1 6 . 1 1 53 53 ASN CA C 53 52.763 52.763 54.039 -1.276 25836
1476 1 6 . 1 1 53 53 ASN CB C 53 37.419 37.419 39.207 -1.788 25836
1477 1 6 . 1 1 53 53 ASN H H 53 8.495 8.495 8.457 0.038 25836
1478 1 6 . 1 1 54 54 LYS N N 54 127.289 127.289 121.899 5.390 25836
1479 1 6 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.420 -0.076 25836
1480 1 6 . 1 1 54 54 LYS CA C 54 53.397 53.397 55.977 -2.580 25836
1481 1 6 . 1 1 54 54 LYS CB C 54 29.422 29.422 32.214 -2.792 25836
1482 1 6 . 1 1 54 54 LYS H H 54 10.155 10.155 8.387 1.768 25836
1483 1 6 . 1 1 55 55 CYS N N 55 124.019 124.019 121.864 2.155 25836
1484 1 6 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.569 0.120 25836
1485 1 6 . 1 1 55 55 CYS CA C 55 52.235 52.235 57.993 -5.758 25836
1486 1 6 . 1 1 55 55 CYS CB C 55 40.134 40.134 26.811 13.323 25836
1487 1 6 . 1 1 55 55 CYS H H 55 8.698 8.698 7.837 0.861 25836
1488 1 6 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.295 0.294 25836
1489 1 6 . 1 1 57 57 PRO CB C 57 29.744 29.744 29.303 0.441 25836
1490 1 6 . 1 1 58 58 ALA N N 58 123.825 123.825 119.721 4.104 25836
1491 1 6 . 1 1 58 58 ALA HA H 58 4.351 4.351 3.934 0.417 25836
1492 1 6 . 1 1 58 58 ALA CA C 58 49.557 49.557 53.036 -3.479 25836
1493 1 6 . 1 1 58 58 ALA CB C 58 16.910 16.910 17.362 -0.452 25836
1494 1 6 . 1 1 58 58 ALA H H 58 8.426 8.426 8.362 0.064 25836
1495 1 7 . 1 1 2 2 THR N N 2 112.683 112.683 117.787 -5.104 25836
1496 1 7 . 1 1 2 2 THR HA H 2 4.483 4.483 4.283 0.200 25836
1497 1 7 . 1 1 2 2 THR H H 2 8.031 8.031 8.017 0.014 25836
1498 1 7 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.564 -0.252 25836
1499 1 7 . 1 1 3 3 PRO CA C 3 51.149 51.149 62.769 -11.620 25836
1500 1 7 . 1 1 3 3 PRO CB C 3 29.323 29.323 32.737 -3.414 25836
1501 1 7 . 1 1 4 4 VAL N N 4 120.622 120.622 120.938 -0.316 25836
1502 1 7 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.319 -0.049 25836
1503 1 7 . 1 1 4 4 VAL CA C 4 58.505 58.505 62.062 -3.557 25836
1504 1 7 . 1 1 4 4 VAL CB C 4 31.307 31.307 33.495 -2.188 25836
1505 1 7 . 1 1 4 4 VAL H H 4 8.113 8.113 8.425 -0.312 25836
1506 1 7 . 1 1 5 5 GLY N N 5 115.132 115.132 114.081 1.051 25836
1507 1 7 . 1 1 5 5 GLY CA C 5 44.133 44.133 45.017 -0.884 25836
1508 1 7 . 1 1 5 5 GLY H H 5 8.736 8.736 8.518 0.218 25836
1509 1 7 . 1 1 6 6 ASN N N 6 123.501 123.501 119.039 4.462 25836
1510 1 7 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.664 0.064 25836
1511 1 7 . 1 1 6 6 ASN CA C 6 50.698 50.698 53.344 -2.646 25836
1512 1 7 . 1 1 6 6 ASN CB C 6 36.797 36.797 39.450 -2.653 25836
1513 1 7 . 1 1 6 6 ASN H H 6 9.148 9.148 8.708 0.440 25836
1514 1 7 . 1 1 7 7 ASN N N 7 118.968 118.968 118.490 0.478 25836
1515 1 7 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.762 0.533 25836
1516 1 7 . 1 1 7 7 ASN CA C 7 51.671 51.671 54.222 -2.551 25836
1517 1 7 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.422 1.179 25836
1518 1 7 . 1 1 7 7 ASN H H 7 8.515 8.515 8.400 0.115 25836
1519 1 7 . 1 1 8 8 LYS N N 8 123.142 123.142 123.051 0.091 25836
1520 1 7 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.294 -0.485 25836
1521 1 7 . 1 1 8 8 LYS CA C 8 55.264 55.264 57.050 -1.786 25836
1522 1 7 . 1 1 8 8 LYS CB C 8 29.383 29.383 33.090 -3.707 25836
1523 1 7 . 1 1 8 8 LYS H H 8 9.294 9.294 8.735 0.559 25836
1524 1 7 . 1 1 9 9 CYS N N 9 111.161 111.161 119.252 -8.091 25836
1525 1 7 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.220 -0.150 25836
1526 1 7 . 1 1 9 9 CYS CA C 9 51.847 51.847 59.211 -7.364 25836
1527 1 7 . 1 1 9 9 CYS CB C 9 32.263 32.263 24.951 7.312 25836
1528 1 7 . 1 1 9 9 CYS H H 9 6.690 6.690 8.020 -1.330 25836
1529 1 7 . 1 1 10 10 TRP N N 10 119.159 119.159 125.610 -6.451 25836
1530 1 7 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.439 0.498 25836
1531 1 7 . 1 1 10 10 TRP CA C 10 53.032 53.032 57.632 -4.599 25836
1532 1 7 . 1 1 10 10 TRP CB C 10 26.379 26.379 31.014 -4.635 25836
1533 1 7 . 1 1 10 10 TRP H H 10 8.232 8.232 7.845 0.387 25836
1534 1 7 . 1 1 11 11 ALA N N 11 119.150 119.150 121.814 -2.664 25836
1535 1 7 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.282 0.070 25836
1536 1 7 . 1 1 11 11 ALA CA C 11 49.381 49.381 51.481 -2.100 25836
1537 1 7 . 1 1 11 11 ALA CB C 11 17.253 17.253 19.417 -2.164 25836
1538 1 7 . 1 1 11 11 ALA H H 11 8.159 8.159 8.108 0.051 25836
1539 1 7 . 1 1 12 12 ILE N N 12 121.974 121.974 123.559 -1.585 25836
1540 1 7 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.744 -0.145 25836
1541 1 7 . 1 1 12 12 ILE CA C 12 59.657 59.657 63.517 -3.860 25836
1542 1 7 . 1 1 12 12 ILE CB C 12 34.763 34.763 36.874 -2.111 25836
1543 1 7 . 1 1 12 12 ILE H H 12 8.448 8.448 8.733 -0.285 25836
1544 1 7 . 1 1 13 13 GLY N N 13 114.867 114.867 115.693 -0.826 25836
1545 1 7 . 1 1 13 13 GLY CA C 13 41.954 41.954 44.802 -2.848 25836
1546 1 7 . 1 1 13 13 GLY H H 13 9.649 9.649 8.802 0.847 25836
1547 1 7 . 1 1 14 14 THR N N 14 118.155 118.155 117.582 0.573 25836
1548 1 7 . 1 1 14 14 THR HA H 14 4.049 4.049 4.678 -0.629 25836
1549 1 7 . 1 1 14 14 THR CA C 14 61.464 61.464 61.741 -0.277 25836
1550 1 7 . 1 1 14 14 THR CB C 14 67.426 67.426 70.124 -2.698 25836
1551 1 7 . 1 1 14 14 THR H H 14 8.076 8.076 8.071 0.005 25836
1552 1 7 . 1 1 15 15 THR N N 15 123.193 123.193 116.731 6.462 25836
1553 1 7 . 1 1 15 15 THR HA H 15 4.824 4.824 4.657 0.167 25836
1554 1 7 . 1 1 15 15 THR CA C 15 61.148 61.148 63.227 -2.079 25836
1555 1 7 . 1 1 15 15 THR CB C 15 66.798 66.798 69.622 -2.824 25836
1556 1 7 . 1 1 15 15 THR H H 15 8.498 8.498 8.447 0.051 25836
1557 1 7 . 1 1 16 16 CYS N N 16 119.932 119.932 120.006 -0.074 25836
1558 1 7 . 1 1 16 16 CYS HA H 16 5.510 5.510 4.707 0.803 25836
1559 1 7 . 1 1 16 16 CYS CA C 16 50.274 50.274 56.515 -6.241 25836
1560 1 7 . 1 1 16 16 CYS CB C 16 45.557 45.557 29.680 15.877 25836
1561 1 7 . 1 1 16 16 CYS H H 16 8.384 8.384 8.159 0.225 25836
1562 1 7 . 1 1 17 17 SER N N 17 114.553 114.553 116.612 -2.059 25836
1563 1 7 . 1 1 17 17 SER HA H 17 4.676 4.676 4.470 0.206 25836
1564 1 7 . 1 1 17 17 SER CA C 17 56.391 56.391 58.143 -1.752 25836
1565 1 7 . 1 1 17 17 SER CB C 17 62.251 62.251 64.272 -2.021 25836
1566 1 7 . 1 1 17 17 SER H H 17 9.853 9.853 8.621 1.232 25836
1567 1 7 . 1 1 18 18 ASP N N 18 119.019 119.019 123.428 -4.409 25836
1568 1 7 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.208 0.422 25836
1569 1 7 . 1 1 18 18 ASP CA C 18 50.649 50.649 56.750 -6.101 25836
1570 1 7 . 1 1 18 18 ASP CB C 18 41.339 41.339 40.980 0.359 25836
1571 1 7 . 1 1 18 18 ASP H H 18 7.767 7.767 8.015 -0.248 25836
1572 1 7 . 1 1 19 19 ASP N N 19 121.627 121.627 118.678 2.949 25836
1573 1 7 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.270 -0.024 25836
1574 1 7 . 1 1 19 19 ASP CA C 19 55.706 55.706 55.315 0.391 25836
1575 1 7 . 1 1 19 19 ASP CB C 19 37.099 37.099 40.240 -3.141 25836
1576 1 7 . 1 1 19 19 ASP H H 19 8.916 8.916 8.764 0.152 25836
1577 1 7 . 1 1 20 20 CYS N N 20 117.427 117.427 115.105 2.322 25836
1578 1 7 . 1 1 20 20 CYS HA H 20 4.689 4.689 4.037 0.652 25836
1579 1 7 . 1 1 20 20 CYS CA C 20 52.798 52.798 60.068 -7.270 25836
1580 1 7 . 1 1 20 20 CYS CB C 20 36.331 36.331 26.080 10.251 25836
1581 1 7 . 1 1 20 20 CYS H H 20 9.308 9.308 8.856 0.452 25836
1582 1 7 . 1 1 21 21 ASP N N 21 120.031 120.031 120.581 -0.550 25836
1583 1 7 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.311 -0.583 25836
1584 1 7 . 1 1 21 21 ASP CA C 21 53.926 53.926 57.535 -3.609 25836
1585 1 7 . 1 1 21 21 ASP CB C 21 39.032 39.032 41.156 -2.124 25836
1586 1 7 . 1 1 21 21 ASP H H 21 7.897 7.897 8.066 -0.169 25836
1587 1 7 . 1 1 22 22 CYS N N 22 112.949 112.949 115.929 -2.980 25836
1588 1 7 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.668 0.606 25836
1589 1 7 . 1 1 22 22 CYS CA C 22 48.641 48.641 59.126 -10.485 25836
1590 1 7 . 1 1 22 22 CYS CB C 22 36.172 36.172 28.239 7.933 25836
1591 1 7 . 1 1 22 22 CYS H H 22 7.120 7.120 8.038 -0.918 25836
1592 1 7 . 1 1 23 23 CYS N N 23 124.612 124.612 121.220 3.392 25836
1593 1 7 . 1 1 23 23 CYS H H 23 11.256 11.256 8.894 2.362 25836
1594 1 7 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.332 -0.286 25836
1595 1 7 . 1 1 24 24 PRO CA C 24 63.522 63.522 65.068 -1.546 25836
1596 1 7 . 1 1 24 24 PRO CB C 24 37.298 37.298 32.197 5.101 25836
1597 1 7 . 1 1 25 25 GLU N N 25 114.549 114.549 116.568 -2.019 25836
1598 1 7 . 1 1 25 25 GLU HA H 25 4.355 4.355 4.410 -0.055 25836
1599 1 7 . 1 1 25 25 GLU CA C 25 54.444 54.444 56.089 -1.645 25836
1600 1 7 . 1 1 25 25 GLU CB C 25 25.751 25.751 29.627 -3.876 25836
1601 1 7 . 1 1 25 25 GLU H H 25 9.041 9.041 8.690 0.351 25836
1602 1 7 . 1 1 26 26 HIS N N 26 123.352 123.352 116.682 6.670 25836
1603 1 7 . 1 1 26 26 HIS HA H 26 5.408 5.408 5.482 -0.074 25836
1604 1 7 . 1 1 26 26 HIS CA C 26 50.399 50.399 55.062 -4.663 25836
1605 1 7 . 1 1 26 26 HIS CB C 26 33.143 33.143 33.477 -0.334 25836
1606 1 7 . 1 1 26 26 HIS H H 26 8.118 8.118 7.613 0.505 25836
1607 1 7 . 1 1 27 27 HIS N N 27 112.923 112.923 116.214 -3.291 25836
1608 1 7 . 1 1 27 27 HIS HA H 27 4.644 4.644 4.907 -0.263 25836
1609 1 7 . 1 1 27 27 HIS CA C 27 52.622 52.622 56.078 -3.455 25836
1610 1 7 . 1 1 27 27 HIS CB C 27 28.231 28.231 33.492 -5.261 25836
1611 1 7 . 1 1 27 27 HIS H H 27 9.365 9.365 8.923 0.442 25836
1612 1 7 . 1 1 28 28 CYS N N 28 121.103 121.103 118.711 2.392 25836
1613 1 7 . 1 1 28 28 CYS HA H 28 4.803 4.803 5.078 -0.275 25836
1614 1 7 . 1 1 28 28 CYS CA C 28 52.733 52.733 58.009 -5.276 25836
1615 1 7 . 1 1 28 28 CYS CB C 28 34.784 34.784 27.792 6.992 25836
1616 1 7 . 1 1 28 28 CYS H H 28 9.499 9.499 7.925 1.574 25836
1617 1 7 . 1 1 29 29 HIS N N 29 132.381 132.381 124.248 8.133 25836
1618 1 7 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.840 -0.316 25836
1619 1 7 . 1 1 29 29 HIS CA C 29 53.855 53.855 55.629 -1.774 25836
1620 1 7 . 1 1 29 29 HIS CB C 29 28.973 28.973 31.923 -2.950 25836
1621 1 7 . 1 1 29 29 HIS H H 29 8.938 8.938 9.262 -0.324 25836
1622 1 7 . 1 1 30 30 CYS N N 30 127.165 127.165 128.022 -0.857 25836
1623 1 7 . 1 1 30 30 CYS HA H 30 5.146 5.146 5.015 0.131 25836
1624 1 7 . 1 1 30 30 CYS CA C 30 48.824 48.824 56.357 -7.533 25836
1625 1 7 . 1 1 30 30 CYS CB C 30 41.470 41.470 27.108 14.362 25836
1626 1 7 . 1 1 30 30 CYS H H 30 8.400 8.400 8.867 -0.467 25836
1627 1 7 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.306 -0.030 25836
1628 1 7 . 1 1 31 31 PRO CA C 31 60.702 60.702 62.196 -1.494 25836
1629 1 7 . 1 1 31 31 PRO CB C 31 29.441 29.441 32.133 -2.692 25836
1630 1 7 . 1 1 32 32 ALA N N 32 122.630 122.630 120.414 2.216 25836
1631 1 7 . 1 1 32 32 ALA HA H 32 4.430 4.430 3.738 0.692 25836
1632 1 7 . 1 1 32 32 ALA CA C 32 49.453 49.453 52.001 -2.548 25836
1633 1 7 . 1 1 32 32 ALA CB C 32 16.936 16.936 19.509 -2.573 25836
1634 1 7 . 1 1 32 32 ALA H H 32 8.367 8.367 7.851 0.516 25836
1635 1 7 . 1 1 33 33 GLY N N 33 107.375 107.375 105.810 1.565 25836
1636 1 7 . 1 1 33 33 GLY CA C 33 42.443 42.443 44.815 -2.372 25836
1637 1 7 . 1 1 33 33 GLY H H 33 8.097 8.097 8.049 0.048 25836
1638 1 7 . 1 1 34 34 LYS N N 34 119.653 119.653 120.035 -0.382 25836
1639 1 7 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.207 0.107 25836
1640 1 7 . 1 1 34 34 LYS CA C 34 61.156 61.156 56.271 4.885 25836
1641 1 7 . 1 1 34 34 LYS CB C 34 30.378 30.378 33.025 -2.647 25836
1642 1 7 . 1 1 34 34 LYS H H 34 7.852 7.852 7.620 0.232 25836
1643 1 7 . 1 1 35 35 TRP N N 35 122.428 122.428 121.901 0.527 25836
1644 1 7 . 1 1 35 35 TRP CB C 35 27.248 27.248 28.610 -1.362 25836
1645 1 7 . 1 1 35 35 TRP H H 35 8.130 8.130 8.284 -0.154 25836
1646 1 7 . 1 1 36 36 LEU N N 36 125.209 125.209 125.101 0.108 25836
1647 1 7 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.783 0.766 25836
1648 1 7 . 1 1 36 36 LEU CA C 36 50.156 50.156 54.845 -4.689 25836
1649 1 7 . 1 1 36 36 LEU CB C 36 40.225 40.225 41.370 -1.145 25836
1650 1 7 . 1 1 36 36 LEU H H 36 7.460 7.460 7.892 -0.432 25836
1651 1 7 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.456 -0.155 25836
1652 1 7 . 1 1 37 37 PRO CA C 37 56.645 56.645 62.911 -6.266 25836
1653 1 7 . 1 1 38 38 GLY N N 38 109.686 109.686 109.904 -0.218 25836
1654 1 7 . 1 1 38 38 GLY CA C 38 42.884 42.884 44.588 -1.704 25836
1655 1 7 . 1 1 38 38 GLY H H 38 8.480 8.480 8.326 0.154 25836
1656 1 7 . 1 1 39 39 LEU N N 39 121.083 121.083 124.897 -3.814 25836
1657 1 7 . 1 1 39 39 LEU HA H 39 4.360 4.360 4.267 0.093 25836
1658 1 7 . 1 1 39 39 LEU CA C 39 52.798 52.798 54.992 -2.194 25836
1659 1 7 . 1 1 39 39 LEU CB C 39 40.369 40.369 42.141 -1.772 25836
1660 1 7 . 1 1 39 39 LEU H H 39 7.847 7.847 8.210 -0.363 25836
1661 1 7 . 1 1 40 40 PHE N N 40 118.886 118.886 122.836 -3.950 25836
1662 1 7 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.544 0.030 25836
1663 1 7 . 1 1 40 40 PHE CA C 40 54.489 54.489 57.459 -2.970 25836
1664 1 7 . 1 1 40 40 PHE CB C 40 37.271 37.271 39.372 -2.101 25836
1665 1 7 . 1 1 40 40 PHE H H 40 7.868 7.868 8.327 -0.459 25836
1666 1 7 . 1 1 41 41 ARG N N 41 121.171 121.171 124.889 -3.718 25836
1667 1 7 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.322 0.094 25836
1668 1 7 . 1 1 41 41 ARG CA C 41 52.974 52.974 54.242 -1.268 25836
1669 1 7 . 1 1 41 41 ARG CB C 41 29.148 29.148 31.835 -2.688 25836
1670 1 7 . 1 1 41 41 ARG H H 41 7.888 7.888 8.069 -0.181 25836
1671 1 7 . 1 1 42 42 CYS N N 42 123.035 123.035 119.723 3.312 25836
1672 1 7 . 1 1 42 42 CYS HA H 42 5.446 5.446 5.397 0.049 25836
1673 1 7 . 1 1 42 42 CYS CA C 42 53.979 53.979 58.302 -4.323 25836
1674 1 7 . 1 1 42 42 CYS CB C 42 45.543 45.543 28.096 17.447 25836
1675 1 7 . 1 1 42 42 CYS H H 42 8.731 8.731 8.662 0.069 25836
1676 1 7 . 1 1 43 43 THR N N 43 111.223 111.223 115.645 -4.422 25836
1677 1 7 . 1 1 43 43 THR HA H 43 5.402 5.402 4.995 0.407 25836
1678 1 7 . 1 1 43 43 THR CA C 43 57.581 57.581 59.978 -2.397 25836
1679 1 7 . 1 1 43 43 THR CB C 43 71.715 71.715 71.489 0.226 25836
1680 1 7 . 1 1 43 43 THR H H 43 8.659 8.659 8.758 -0.099 25836
1681 1 7 . 1 1 44 44 CYS N N 44 120.754 120.754 124.596 -3.842 25836
1682 1 7 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.360 -0.031 25836
1683 1 7 . 1 1 44 44 CYS CA C 44 52.398 52.398 58.800 -6.402 25836
1684 1 7 . 1 1 44 44 CYS CB C 44 36.766 36.766 27.330 9.436 25836
1685 1 7 . 1 1 44 44 CYS H H 44 8.404 8.404 8.911 -0.507 25836
1686 1 7 . 1 1 45 45 GLN N N 45 121.589 121.589 126.230 -4.641 25836
1687 1 7 . 1 1 45 45 GLN HA H 45 4.695 4.695 4.959 -0.264 25836
1688 1 7 . 1 1 45 45 GLN CA C 45 51.495 51.495 53.777 -2.282 25836
1689 1 7 . 1 1 45 45 GLN CB C 45 31.136 31.136 32.995 -1.859 25836
1690 1 7 . 1 1 45 45 GLN H H 45 9.247 9.247 9.171 0.076 25836
1691 1 7 . 1 1 46 46 VAL N N 46 119.594 119.594 120.163 -0.569 25836
1692 1 7 . 1 1 46 46 VAL HA H 46 4.149 4.149 2.931 1.218 25836
1693 1 7 . 1 1 46 46 VAL CA C 46 61.358 61.358 63.620 -2.262 25836
1694 1 7 . 1 1 46 46 VAL CB C 46 29.629 29.629 31.854 -2.225 25836
1695 1 7 . 1 1 46 46 VAL H H 46 8.703 8.703 8.604 0.099 25836
1696 1 7 . 1 1 47 47 THR N N 47 118.278 118.278 119.954 -1.676 25836
1697 1 7 . 1 1 47 47 THR HA H 47 4.169 4.169 4.556 -0.387 25836
1698 1 7 . 1 1 47 47 THR CA C 47 59.491 59.491 61.577 -2.086 25836
1699 1 7 . 1 1 47 47 THR CB C 47 66.789 66.789 70.831 -4.042 25836
1700 1 7 . 1 1 47 47 THR H H 47 8.002 8.002 8.273 -0.271 25836
1701 1 7 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.349 0.113 25836
1702 1 7 . 1 1 49 49 SER N N 49 114.478 114.478 115.579 -1.101 25836
1703 1 7 . 1 1 49 49 SER HA H 49 4.291 4.291 4.351 -0.060 25836
1704 1 7 . 1 1 49 49 SER CA C 49 51.081 51.081 57.850 -6.769 25836
1705 1 7 . 1 1 49 49 SER CB C 49 60.846 60.846 63.871 -3.025 25836
1706 1 7 . 1 1 49 49 SER H H 49 8.304 8.304 8.057 0.247 25836
1707 1 7 . 1 1 50 50 ASP N N 50 118.750 118.750 120.624 -1.874 25836
1708 1 7 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.482 0.099 25836
1709 1 7 . 1 1 50 50 ASP CA C 50 51.426 51.426 56.192 -4.766 25836
1710 1 7 . 1 1 50 50 ASP CB C 50 37.727 37.727 40.999 -3.272 25836
1711 1 7 . 1 1 50 50 ASP H H 50 8.469 8.469 8.481 -0.012 25836
1712 1 7 . 1 1 51 51 LYS N N 51 120.789 120.789 119.783 1.006 25836
1713 1 7 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.245 0.214 25836
1714 1 7 . 1 1 51 51 LYS CA C 51 52.869 52.869 55.850 -2.981 25836
1715 1 7 . 1 1 51 51 LYS CB C 51 26.190 26.190 31.883 -5.693 25836
1716 1 7 . 1 1 51 51 LYS H H 51 7.824 7.824 7.854 -0.030 25836
1717 1 7 . 1 1 52 52 VAL N N 52 116.071 116.071 117.020 -0.949 25836
1718 1 7 . 1 1 52 52 VAL HA H 52 4.303 4.303 4.006 0.297 25836
1719 1 7 . 1 1 52 52 VAL CA C 52 57.941 57.941 58.790 -0.849 25836
1720 1 7 . 1 1 52 52 VAL CB C 52 31.464 31.464 34.498 -3.034 25836
1721 1 7 . 1 1 52 52 VAL H H 52 7.653 7.653 7.497 0.156 25836
1722 1 7 . 1 1 53 53 ASN N N 53 123.498 123.498 118.477 5.021 25836
1723 1 7 . 1 1 53 53 ASN HA H 53 4.374 4.374 4.830 -0.456 25836
1724 1 7 . 1 1 53 53 ASN CA C 53 52.763 52.763 53.996 -1.233 25836
1725 1 7 . 1 1 53 53 ASN CB C 53 37.419 37.419 39.783 -2.364 25836
1726 1 7 . 1 1 53 53 ASN H H 53 8.495 8.495 8.215 0.280 25836
1727 1 7 . 1 1 54 54 LYS N N 54 127.289 127.289 120.307 6.982 25836
1728 1 7 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.095 0.249 25836
1729 1 7 . 1 1 54 54 LYS CA C 54 53.397 53.397 57.420 -4.023 25836
1730 1 7 . 1 1 54 54 LYS CB C 54 29.422 29.422 31.864 -2.442 25836
1731 1 7 . 1 1 54 54 LYS H H 54 10.155 10.155 8.484 1.671 25836
1732 1 7 . 1 1 55 55 CYS N N 55 124.019 124.019 122.516 1.503 25836
1733 1 7 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.720 -0.031 25836
1734 1 7 . 1 1 55 55 CYS CA C 55 52.235 52.235 58.050 -5.814 25836
1735 1 7 . 1 1 55 55 CYS CB C 55 40.134 40.134 26.793 13.341 25836
1736 1 7 . 1 1 55 55 CYS H H 55 8.698 8.698 8.713 -0.015 25836
1737 1 7 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.264 0.325 25836
1738 1 7 . 1 1 57 57 PRO CB C 57 29.744 29.744 29.215 0.529 25836
1739 1 7 . 1 1 58 58 ALA N N 58 123.825 123.825 122.057 1.768 25836
1740 1 7 . 1 1 58 58 ALA HA H 58 4.351 4.351 3.998 0.353 25836
1741 1 7 . 1 1 58 58 ALA CA C 58 49.557 49.557 53.274 -3.717 25836
1742 1 7 . 1 1 58 58 ALA CB C 58 16.910 16.910 17.976 -1.066 25836
1743 1 7 . 1 1 58 58 ALA H H 58 8.426 8.426 8.488 -0.062 25836
1744 1 8 . 1 1 2 2 THR N N 2 112.683 112.683 117.649 -4.966 25836
1745 1 8 . 1 1 2 2 THR HA H 2 4.483 4.483 4.673 -0.190 25836
1746 1 8 . 1 1 2 2 THR H H 2 8.031 8.031 8.259 -0.228 25836
1747 1 8 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.561 -0.249 25836
1748 1 8 . 1 1 3 3 PRO CA C 3 51.149 51.149 62.623 -11.474 25836
1749 1 8 . 1 1 3 3 PRO CB C 3 29.323 29.323 32.686 -3.363 25836
1750 1 8 . 1 1 4 4 VAL N N 4 120.622 120.622 121.451 -0.829 25836
1751 1 8 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.231 0.039 25836
1752 1 8 . 1 1 4 4 VAL CA C 4 58.505 58.505 61.950 -3.445 25836
1753 1 8 . 1 1 4 4 VAL CB C 4 31.307 31.307 33.738 -2.431 25836
1754 1 8 . 1 1 4 4 VAL H H 4 8.113 8.113 8.220 -0.107 25836
1755 1 8 . 1 1 5 5 GLY N N 5 115.132 115.132 114.787 0.345 25836
1756 1 8 . 1 1 5 5 GLY CA C 5 44.133 44.133 44.622 -0.489 25836
1757 1 8 . 1 1 5 5 GLY H H 5 8.736 8.736 8.585 0.151 25836
1758 1 8 . 1 1 6 6 ASN N N 6 123.501 123.501 120.794 2.707 25836
1759 1 8 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.317 0.411 25836
1760 1 8 . 1 1 6 6 ASN CA C 6 50.698 50.698 54.581 -3.883 25836
1761 1 8 . 1 1 6 6 ASN CB C 6 36.797 36.797 38.611 -1.814 25836
1762 1 8 . 1 1 6 6 ASN H H 6 9.148 9.148 8.849 0.299 25836
1763 1 8 . 1 1 7 7 ASN N N 7 118.968 118.968 118.015 0.953 25836
1764 1 8 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.760 0.535 25836
1765 1 8 . 1 1 7 7 ASN CA C 7 51.671 51.671 54.111 -2.440 25836
1766 1 8 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.270 1.331 25836
1767 1 8 . 1 1 7 7 ASN H H 7 8.515 8.515 8.406 0.109 25836
1768 1 8 . 1 1 8 8 LYS N N 8 123.142 123.142 121.691 1.451 25836
1769 1 8 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.255 -0.446 25836
1770 1 8 . 1 1 8 8 LYS CA C 8 55.264 55.264 56.881 -1.617 25836
1771 1 8 . 1 1 8 8 LYS CB C 8 29.383 29.383 32.915 -3.532 25836
1772 1 8 . 1 1 8 8 LYS H H 8 9.294 9.294 8.367 0.927 25836
1773 1 8 . 1 1 9 9 CYS N N 9 111.161 111.161 118.982 -7.821 25836
1774 1 8 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.391 -0.321 25836
1775 1 8 . 1 1 9 9 CYS CA C 9 51.847 51.847 59.184 -7.337 25836
1776 1 8 . 1 1 9 9 CYS CB C 9 32.263 32.263 25.162 7.101 25836
1777 1 8 . 1 1 9 9 CYS H H 9 6.690 6.690 8.288 -1.598 25836
1778 1 8 . 1 1 10 10 TRP N N 10 119.159 119.159 126.171 -7.012 25836
1779 1 8 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.510 0.427 25836
1780 1 8 . 1 1 10 10 TRP CA C 10 53.032 53.032 58.224 -5.192 25836
1781 1 8 . 1 1 10 10 TRP CB C 10 26.379 26.379 30.572 -4.192 25836
1782 1 8 . 1 1 10 10 TRP H H 10 8.232 8.232 8.133 0.099 25836
1783 1 8 . 1 1 11 11 ALA N N 11 119.150 119.150 122.819 -3.669 25836
1784 1 8 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.433 -0.081 25836
1785 1 8 . 1 1 11 11 ALA CA C 11 49.381 49.381 51.757 -2.376 25836
1786 1 8 . 1 1 11 11 ALA CB C 11 17.253 17.253 19.735 -2.482 25836
1787 1 8 . 1 1 11 11 ALA H H 11 8.159 8.159 8.752 -0.593 25836
1788 1 8 . 1 1 12 12 ILE N N 12 121.974 121.974 124.079 -2.105 25836
1789 1 8 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.719 -0.120 25836
1790 1 8 . 1 1 12 12 ILE CA C 12 59.657 59.657 61.904 -2.247 25836
1791 1 8 . 1 1 12 12 ILE CB C 12 34.763 34.763 35.709 -0.946 25836
1792 1 8 . 1 1 12 12 ILE H H 12 8.448 8.448 8.774 -0.326 25836
1793 1 8 . 1 1 13 13 GLY N N 13 114.867 114.867 116.771 -1.904 25836
1794 1 8 . 1 1 13 13 GLY CA C 13 41.954 41.954 44.939 -2.985 25836
1795 1 8 . 1 1 13 13 GLY H H 13 9.649 9.649 8.889 0.760 25836
1796 1 8 . 1 1 14 14 THR N N 14 118.155 118.155 116.826 1.329 25836
1797 1 8 . 1 1 14 14 THR HA H 14 4.049 4.049 4.654 -0.605 25836
1798 1 8 . 1 1 14 14 THR CA C 14 61.464 61.464 61.265 0.199 25836
1799 1 8 . 1 1 14 14 THR CB C 14 67.426 67.426 70.432 -3.006 25836
1800 1 8 . 1 1 14 14 THR H H 14 8.076 8.076 8.036 0.040 25836
1801 1 8 . 1 1 15 15 THR N N 15 123.193 123.193 117.425 5.768 25836
1802 1 8 . 1 1 15 15 THR HA H 15 4.824 4.824 4.662 0.162 25836
1803 1 8 . 1 1 15 15 THR CA C 15 61.148 61.148 62.965 -1.817 25836
1804 1 8 . 1 1 15 15 THR CB C 15 66.798 66.798 69.438 -2.640 25836
1805 1 8 . 1 1 15 15 THR H H 15 8.498 8.498 8.218 0.280 25836
1806 1 8 . 1 1 16 16 CYS N N 16 119.932 119.932 122.385 -2.453 25836
1807 1 8 . 1 1 16 16 CYS HA H 16 5.510 5.510 4.306 1.204 25836
1808 1 8 . 1 1 16 16 CYS CA C 16 50.274 50.274 57.875 -7.601 25836
1809 1 8 . 1 1 16 16 CYS CB C 16 45.557 45.557 28.669 16.888 25836
1810 1 8 . 1 1 16 16 CYS H H 16 8.384 8.384 7.735 0.649 25836
1811 1 8 . 1 1 17 17 SER N N 17 114.553 114.553 116.757 -2.204 25836
1812 1 8 . 1 1 17 17 SER HA H 17 4.676 4.676 4.560 0.116 25836
1813 1 8 . 1 1 17 17 SER CA C 17 56.391 56.391 57.908 -1.518 25836
1814 1 8 . 1 1 17 17 SER CB C 17 62.251 62.251 63.702 -1.451 25836
1815 1 8 . 1 1 17 17 SER H H 17 9.853 9.853 8.387 1.466 25836
1816 1 8 . 1 1 18 18 ASP N N 18 119.019 119.019 120.843 -1.824 25836
1817 1 8 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.212 0.418 25836
1818 1 8 . 1 1 18 18 ASP CA C 18 50.649 50.649 55.449 -4.800 25836
1819 1 8 . 1 1 18 18 ASP CB C 18 41.339 41.339 40.081 1.258 25836
1820 1 8 . 1 1 18 18 ASP H H 18 7.767 7.767 7.911 -0.144 25836
1821 1 8 . 1 1 19 19 ASP N N 19 121.627 121.627 119.089 2.538 25836
1822 1 8 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.225 0.021 25836
1823 1 8 . 1 1 19 19 ASP CA C 19 55.706 55.706 55.338 0.368 25836
1824 1 8 . 1 1 19 19 ASP CB C 19 37.099 37.099 40.436 -3.337 25836
1825 1 8 . 1 1 19 19 ASP H H 19 8.916 8.916 8.742 0.174 25836
1826 1 8 . 1 1 20 20 CYS N N 20 117.427 117.427 115.128 2.299 25836
1827 1 8 . 1 1 20 20 CYS HA H 20 4.689 4.689 4.118 0.571 25836
1828 1 8 . 1 1 20 20 CYS CA C 20 52.798 52.798 59.795 -6.997 25836
1829 1 8 . 1 1 20 20 CYS CB C 20 36.331 36.331 25.861 10.470 25836
1830 1 8 . 1 1 20 20 CYS H H 20 9.308 9.308 8.594 0.714 25836
1831 1 8 . 1 1 21 21 ASP N N 21 120.031 120.031 120.480 -0.449 25836
1832 1 8 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.607 -0.879 25836
1833 1 8 . 1 1 21 21 ASP CA C 21 53.926 53.926 57.657 -3.731 25836
1834 1 8 . 1 1 21 21 ASP CB C 21 39.032 39.032 40.856 -1.824 25836
1835 1 8 . 1 1 21 21 ASP H H 21 7.897 7.897 8.217 -0.320 25836
1836 1 8 . 1 1 22 22 CYS N N 22 112.949 112.949 117.093 -4.144 25836
1837 1 8 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.675 0.599 25836
1838 1 8 . 1 1 22 22 CYS CA C 22 48.641 48.641 58.672 -10.031 25836
1839 1 8 . 1 1 22 22 CYS CB C 22 36.172 36.172 28.506 7.666 25836
1840 1 8 . 1 1 22 22 CYS H H 22 7.120 7.120 7.962 -0.842 25836
1841 1 8 . 1 1 23 23 CYS N N 23 124.612 124.612 122.336 2.276 25836
1842 1 8 . 1 1 23 23 CYS H H 23 11.256 11.256 9.022 2.234 25836
1843 1 8 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.258 -0.212 25836
1844 1 8 . 1 1 24 24 PRO CA C 24 63.522 63.522 64.924 -1.402 25836
1845 1 8 . 1 1 24 24 PRO CB C 24 37.298 37.298 32.191 5.107 25836
1846 1 8 . 1 1 25 25 GLU N N 25 114.549 114.549 117.828 -3.279 25836
1847 1 8 . 1 1 25 25 GLU HA H 25 4.355 4.355 4.081 0.274 25836
1848 1 8 . 1 1 25 25 GLU CA C 25 54.444 54.444 57.475 -3.031 25836
1849 1 8 . 1 1 25 25 GLU CB C 25 25.751 25.751 29.475 -3.724 25836
1850 1 8 . 1 1 25 25 GLU H H 25 9.041 9.041 8.553 0.488 25836
1851 1 8 . 1 1 26 26 HIS N N 26 123.352 123.352 114.627 8.725 25836
1852 1 8 . 1 1 26 26 HIS HA H 26 5.408 5.408 5.039 0.369 25836
1853 1 8 . 1 1 26 26 HIS CA C 26 50.399 50.399 54.074 -3.675 25836
1854 1 8 . 1 1 26 26 HIS CB C 26 33.143 33.143 33.188 -0.045 25836
1855 1 8 . 1 1 26 26 HIS H H 26 8.118 8.118 6.960 1.158 25836
1856 1 8 . 1 1 27 27 HIS N N 27 112.923 112.923 115.768 -2.845 25836
1857 1 8 . 1 1 27 27 HIS HA H 27 4.644 4.644 4.986 -0.342 25836
1858 1 8 . 1 1 27 27 HIS CA C 27 52.622 52.622 53.653 -1.031 25836
1859 1 8 . 1 1 27 27 HIS CB C 27 28.231 28.231 30.579 -2.348 25836
1860 1 8 . 1 1 27 27 HIS H H 27 9.365 9.365 8.986 0.379 25836
1861 1 8 . 1 1 28 28 CYS N N 28 121.103 121.103 121.295 -0.192 25836
1862 1 8 . 1 1 28 28 CYS HA H 28 4.803 4.803 4.755 0.048 25836
1863 1 8 . 1 1 28 28 CYS CA C 28 52.733 52.733 58.899 -6.166 25836
1864 1 8 . 1 1 28 28 CYS CB C 28 34.784 34.784 26.221 8.563 25836
1865 1 8 . 1 1 28 28 CYS H H 28 9.499 9.499 8.626 0.873 25836
1866 1 8 . 1 1 29 29 HIS N N 29 132.381 132.381 126.608 5.773 25836
1867 1 8 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.446 0.078 25836
1868 1 8 . 1 1 29 29 HIS CA C 29 53.855 53.855 55.744 -1.889 25836
1869 1 8 . 1 1 29 29 HIS CB C 29 28.973 28.973 30.626 -1.653 25836
1870 1 8 . 1 1 29 29 HIS H H 29 8.938 8.938 9.138 -0.200 25836
1871 1 8 . 1 1 30 30 CYS N N 30 127.165 127.165 128.146 -0.981 25836
1872 1 8 . 1 1 30 30 CYS HA H 30 5.146 5.146 4.946 0.200 25836
1873 1 8 . 1 1 30 30 CYS CA C 30 48.824 48.824 56.285 -7.462 25836
1874 1 8 . 1 1 30 30 CYS CB C 30 41.470 41.470 26.541 14.929 25836
1875 1 8 . 1 1 30 30 CYS H H 30 8.400 8.400 8.787 -0.387 25836
1876 1 8 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.337 -0.061 25836
1877 1 8 . 1 1 31 31 PRO CA C 31 60.702 60.702 62.188 -1.486 25836
1878 1 8 . 1 1 31 31 PRO CB C 31 29.441 29.441 32.014 -2.573 25836
1879 1 8 . 1 1 32 32 ALA N N 32 122.630 122.630 120.958 1.672 25836
1880 1 8 . 1 1 32 32 ALA HA H 32 4.430 4.430 3.841 0.589 25836
1881 1 8 . 1 1 32 32 ALA CA C 32 49.453 49.453 52.374 -2.921 25836
1882 1 8 . 1 1 32 32 ALA CB C 32 16.936 16.936 19.552 -2.616 25836
1883 1 8 . 1 1 32 32 ALA H H 32 8.367 8.367 7.955 0.412 25836
1884 1 8 . 1 1 33 33 GLY N N 33 107.375 107.375 105.980 1.395 25836
1885 1 8 . 1 1 33 33 GLY CA C 33 42.443 42.443 44.637 -2.194 25836
1886 1 8 . 1 1 33 33 GLY H H 33 8.097 8.097 8.047 0.050 25836
1887 1 8 . 1 1 34 34 LYS N N 34 119.653 119.653 122.443 -2.790 25836
1888 1 8 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.482 -0.168 25836
1889 1 8 . 1 1 34 34 LYS CA C 34 61.156 61.156 55.486 5.670 25836
1890 1 8 . 1 1 34 34 LYS CB C 34 30.378 30.378 33.782 -3.404 25836
1891 1 8 . 1 1 34 34 LYS H H 34 7.852 7.852 8.456 -0.604 25836
1892 1 8 . 1 1 35 35 TRP N N 35 122.428 122.428 121.422 1.006 25836
1893 1 8 . 1 1 35 35 TRP CB C 35 27.248 27.248 29.037 -1.789 25836
1894 1 8 . 1 1 35 35 TRP H H 35 8.130 8.130 8.383 -0.253 25836
1895 1 8 . 1 1 36 36 LEU N N 36 125.209 125.209 124.728 0.481 25836
1896 1 8 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.735 0.814 25836
1897 1 8 . 1 1 36 36 LEU CA C 36 50.156 50.156 54.861 -4.705 25836
1898 1 8 . 1 1 36 36 LEU CB C 36 40.225 40.225 41.517 -1.292 25836
1899 1 8 . 1 1 36 36 LEU H H 36 7.460 7.460 7.758 -0.298 25836
1900 1 8 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.393 -0.092 25836
1901 1 8 . 1 1 37 37 PRO CA C 37 56.645 56.645 63.227 -6.582 25836
1902 1 8 . 1 1 38 38 GLY N N 38 109.686 109.686 113.930 -4.244 25836
1903 1 8 . 1 1 38 38 GLY CA C 38 42.884 42.884 45.364 -2.480 25836
1904 1 8 . 1 1 38 38 GLY H H 38 8.480 8.480 8.358 0.122 25836
1905 1 8 . 1 1 39 39 LEU N N 39 121.083 121.083 118.538 2.545 25836
1906 1 8 . 1 1 39 39 LEU HA H 39 4.360 4.360 4.189 0.171 25836
1907 1 8 . 1 1 39 39 LEU CA C 39 52.798 52.798 55.131 -2.333 25836
1908 1 8 . 1 1 39 39 LEU CB C 39 40.369 40.369 41.826 -1.457 25836
1909 1 8 . 1 1 39 39 LEU H H 39 7.847 7.847 7.245 0.602 25836
1910 1 8 . 1 1 40 40 PHE N N 40 118.886 118.886 116.277 2.609 25836
1911 1 8 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.402 0.172 25836
1912 1 8 . 1 1 40 40 PHE CA C 40 54.489 54.489 57.261 -2.772 25836
1913 1 8 . 1 1 40 40 PHE CB C 40 37.271 37.271 38.943 -1.672 25836
1914 1 8 . 1 1 40 40 PHE H H 40 7.868 7.868 7.243 0.625 25836
1915 1 8 . 1 1 41 41 ARG N N 41 121.171 121.171 121.106 0.065 25836
1916 1 8 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.595 -0.179 25836
1917 1 8 . 1 1 41 41 ARG CA C 41 52.974 52.974 55.337 -2.363 25836
1918 1 8 . 1 1 41 41 ARG CB C 41 29.148 29.148 33.172 -4.024 25836
1919 1 8 . 1 1 41 41 ARG H H 41 7.888 7.888 8.397 -0.509 25836
1920 1 8 . 1 1 42 42 CYS N N 42 123.035 123.035 117.630 5.405 25836
1921 1 8 . 1 1 42 42 CYS HA H 42 5.446 5.446 5.535 -0.089 25836
1922 1 8 . 1 1 42 42 CYS CA C 42 53.979 53.979 57.240 -3.261 25836
1923 1 8 . 1 1 42 42 CYS CB C 42 45.543 45.543 30.566 14.977 25836
1924 1 8 . 1 1 42 42 CYS H H 42 8.731 8.731 8.541 0.190 25836
1925 1 8 . 1 1 43 43 THR N N 43 111.223 111.223 112.588 -1.365 25836
1926 1 8 . 1 1 43 43 THR HA H 43 5.402 5.402 4.863 0.539 25836
1927 1 8 . 1 1 43 43 THR CA C 43 57.581 57.581 60.225 -2.644 25836
1928 1 8 . 1 1 43 43 THR CB C 43 71.715 71.715 71.198 0.517 25836
1929 1 8 . 1 1 43 43 THR H H 43 8.659 8.659 8.649 0.010 25836
1930 1 8 . 1 1 44 44 CYS N N 44 120.754 120.754 124.631 -3.877 25836
1931 1 8 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.351 -0.022 25836
1932 1 8 . 1 1 44 44 CYS CA C 44 52.398 52.398 58.956 -6.558 25836
1933 1 8 . 1 1 44 44 CYS CB C 44 36.766 36.766 27.058 9.708 25836
1934 1 8 . 1 1 44 44 CYS H H 44 8.404 8.404 8.781 -0.377 25836
1935 1 8 . 1 1 45 45 GLN N N 45 121.589 121.589 125.794 -4.205 25836
1936 1 8 . 1 1 45 45 GLN HA H 45 4.695 4.695 4.600 0.095 25836
1937 1 8 . 1 1 45 45 GLN CA C 45 51.495 51.495 53.513 -2.018 25836
1938 1 8 . 1 1 45 45 GLN CB C 45 31.136 31.136 33.107 -1.971 25836
1939 1 8 . 1 1 45 45 GLN H H 45 9.247 9.247 9.067 0.180 25836
1940 1 8 . 1 1 46 46 VAL N N 46 119.594 119.594 121.378 -1.784 25836
1941 1 8 . 1 1 46 46 VAL HA H 46 4.149 4.149 3.781 0.368 25836
1942 1 8 . 1 1 46 46 VAL CA C 46 61.358 61.358 63.553 -2.195 25836
1943 1 8 . 1 1 46 46 VAL CB C 46 29.629 29.629 32.806 -3.177 25836
1944 1 8 . 1 1 46 46 VAL H H 46 8.703 8.703 8.552 0.151 25836
1945 1 8 . 1 1 47 47 THR N N 47 118.278 118.278 120.938 -2.660 25836
1946 1 8 . 1 1 47 47 THR HA H 47 4.169 4.169 3.413 0.756 25836
1947 1 8 . 1 1 47 47 THR CA C 47 59.491 59.491 63.310 -3.819 25836
1948 1 8 . 1 1 47 47 THR CB C 47 66.789 66.789 69.062 -2.273 25836
1949 1 8 . 1 1 47 47 THR H H 47 8.002 8.002 8.244 -0.242 25836
1950 1 8 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.485 -0.023 25836
1951 1 8 . 1 1 49 49 SER N N 49 114.478 114.478 115.125 -0.647 25836
1952 1 8 . 1 1 49 49 SER HA H 49 4.291 4.291 4.504 -0.213 25836
1953 1 8 . 1 1 49 49 SER CA C 49 51.081 51.081 58.198 -7.117 25836
1954 1 8 . 1 1 49 49 SER CB C 49 60.846 60.846 64.040 -3.194 25836
1955 1 8 . 1 1 49 49 SER H H 49 8.304 8.304 8.279 0.025 25836
1956 1 8 . 1 1 50 50 ASP N N 50 118.750 118.750 118.921 -0.171 25836
1957 1 8 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.622 -0.041 25836
1958 1 8 . 1 1 50 50 ASP CA C 50 51.426 51.426 53.898 -2.472 25836
1959 1 8 . 1 1 50 50 ASP CB C 50 37.727 37.727 39.200 -1.473 25836
1960 1 8 . 1 1 50 50 ASP H H 50 8.469 8.469 8.533 -0.064 25836
1961 1 8 . 1 1 51 51 LYS N N 51 120.789 120.789 120.495 0.294 25836
1962 1 8 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.533 -0.074 25836
1963 1 8 . 1 1 51 51 LYS CA C 51 52.869 52.869 55.996 -3.127 25836
1964 1 8 . 1 1 51 51 LYS CB C 51 26.190 26.190 35.097 -8.908 25836
1965 1 8 . 1 1 51 51 LYS H H 51 7.824 7.824 7.572 0.252 25836
1966 1 8 . 1 1 52 52 VAL N N 52 116.071 116.071 119.061 -2.990 25836
1967 1 8 . 1 1 52 52 VAL HA H 52 4.303 4.303 4.445 -0.142 25836
1968 1 8 . 1 1 52 52 VAL CA C 52 57.941 57.941 59.069 -1.128 25836
1969 1 8 . 1 1 52 52 VAL CB C 52 31.464 31.464 34.026 -2.562 25836
1970 1 8 . 1 1 52 52 VAL H H 52 7.653 7.653 8.163 -0.510 25836
1971 1 8 . 1 1 53 53 ASN N N 53 123.498 123.498 119.420 4.078 25836
1972 1 8 . 1 1 53 53 ASN HA H 53 4.374 4.374 4.536 -0.162 25836
1973 1 8 . 1 1 53 53 ASN CA C 53 52.763 52.763 53.864 -1.101 25836
1974 1 8 . 1 1 53 53 ASN CB C 53 37.419 37.419 39.338 -1.919 25836
1975 1 8 . 1 1 53 53 ASN H H 53 8.495 8.495 8.287 0.208 25836
1976 1 8 . 1 1 54 54 LYS N N 54 127.289 127.289 122.290 4.999 25836
1977 1 8 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.053 0.291 25836
1978 1 8 . 1 1 54 54 LYS CA C 54 53.397 53.397 57.718 -4.321 25836
1979 1 8 . 1 1 54 54 LYS CB C 54 29.422 29.422 32.070 -2.648 25836
1980 1 8 . 1 1 54 54 LYS H H 54 10.155 10.155 8.359 1.796 25836
1981 1 8 . 1 1 55 55 CYS N N 55 124.019 124.019 119.925 4.094 25836
1982 1 8 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.513 0.176 25836
1983 1 8 . 1 1 55 55 CYS CA C 55 52.235 52.235 57.871 -5.636 25836
1984 1 8 . 1 1 55 55 CYS CB C 55 40.134 40.134 26.813 13.321 25836
1985 1 8 . 1 1 55 55 CYS H H 55 8.698 8.698 7.915 0.783 25836
1986 1 8 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.223 0.366 25836
1987 1 8 . 1 1 57 57 PRO CB C 57 29.744 29.744 29.175 0.569 25836
1988 1 8 . 1 1 58 58 ALA N N 58 123.825 123.825 120.853 2.972 25836
1989 1 8 . 1 1 58 58 ALA HA H 58 4.351 4.351 3.928 0.423 25836
1990 1 8 . 1 1 58 58 ALA CA C 58 49.557 49.557 53.200 -3.643 25836
1991 1 8 . 1 1 58 58 ALA CB C 58 16.910 16.910 17.957 -1.047 25836
1992 1 8 . 1 1 58 58 ALA H H 58 8.426 8.426 8.463 -0.037 25836
1993 1 9 . 1 1 2 2 THR N N 2 112.683 112.683 114.780 -2.097 25836
1994 1 9 . 1 1 2 2 THR HA H 2 4.483 4.483 4.743 -0.260 25836
1995 1 9 . 1 1 2 2 THR H H 2 8.031 8.031 8.168 -0.137 25836
1996 1 9 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.547 -0.235 25836
1997 1 9 . 1 1 3 3 PRO CA C 3 51.149 51.149 62.955 -11.806 25836
1998 1 9 . 1 1 3 3 PRO CB C 3 29.323 29.323 33.023 -3.700 25836
1999 1 9 . 1 1 4 4 VAL N N 4 120.622 120.622 120.808 -0.186 25836
2000 1 9 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.142 0.128 25836
2001 1 9 . 1 1 4 4 VAL CA C 4 58.505 58.505 62.701 -4.196 25836
2002 1 9 . 1 1 4 4 VAL CB C 4 31.307 31.307 33.410 -2.103 25836
2003 1 9 . 1 1 4 4 VAL H H 4 8.113 8.113 8.242 -0.129 25836
2004 1 9 . 1 1 5 5 GLY N N 5 115.132 115.132 112.659 2.473 25836
2005 1 9 . 1 1 5 5 GLY CA C 5 44.133 44.133 44.774 -0.641 25836
2006 1 9 . 1 1 5 5 GLY H H 5 8.736 8.736 8.470 0.266 25836
2007 1 9 . 1 1 6 6 ASN N N 6 123.501 123.501 119.928 3.573 25836
2008 1 9 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.356 0.372 25836
2009 1 9 . 1 1 6 6 ASN CA C 6 50.698 50.698 54.801 -4.103 25836
2010 1 9 . 1 1 6 6 ASN CB C 6 36.797 36.797 38.687 -1.890 25836
2011 1 9 . 1 1 6 6 ASN H H 6 9.148 9.148 8.739 0.409 25836
2012 1 9 . 1 1 7 7 ASN N N 7 118.968 118.968 117.348 1.620 25836
2013 1 9 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.756 0.539 25836
2014 1 9 . 1 1 7 7 ASN CA C 7 51.671 51.671 53.918 -2.247 25836
2015 1 9 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.282 1.319 25836
2016 1 9 . 1 1 7 7 ASN H H 7 8.515 8.515 8.318 0.197 25836
2017 1 9 . 1 1 8 8 LYS N N 8 123.142 123.142 121.406 1.736 25836
2018 1 9 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.215 -0.406 25836
2019 1 9 . 1 1 8 8 LYS CA C 8 55.264 55.264 57.217 -1.953 25836
2020 1 9 . 1 1 8 8 LYS CB C 8 29.383 29.383 32.706 -3.323 25836
2021 1 9 . 1 1 8 8 LYS H H 8 9.294 9.294 8.505 0.789 25836
2022 1 9 . 1 1 9 9 CYS N N 9 111.161 111.161 119.147 -7.986 25836
2023 1 9 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.287 -0.217 25836
2024 1 9 . 1 1 9 9 CYS CA C 9 51.847 51.847 59.239 -7.392 25836
2025 1 9 . 1 1 9 9 CYS CB C 9 32.263 32.263 25.212 7.051 25836
2026 1 9 . 1 1 9 9 CYS H H 9 6.690 6.690 8.268 -1.578 25836
2027 1 9 . 1 1 10 10 TRP N N 10 119.159 119.159 125.483 -6.324 25836
2028 1 9 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.412 0.525 25836
2029 1 9 . 1 1 10 10 TRP CA C 10 53.032 53.032 57.841 -4.809 25836
2030 1 9 . 1 1 10 10 TRP CB C 10 26.379 26.379 30.915 -4.536 25836
2031 1 9 . 1 1 10 10 TRP H H 10 8.232 8.232 8.245 -0.013 25836
2032 1 9 . 1 1 11 11 ALA N N 11 119.150 119.150 122.194 -3.044 25836
2033 1 9 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.325 0.027 25836
2034 1 9 . 1 1 11 11 ALA CA C 11 49.381 49.381 51.535 -2.154 25836
2035 1 9 . 1 1 11 11 ALA CB C 11 17.253 17.253 19.646 -2.393 25836
2036 1 9 . 1 1 11 11 ALA H H 11 8.159 8.159 8.436 -0.277 25836
2037 1 9 . 1 1 12 12 ILE N N 12 121.974 121.974 124.089 -2.115 25836
2038 1 9 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.660 -0.061 25836
2039 1 9 . 1 1 12 12 ILE CA C 12 59.657 59.657 61.866 -2.209 25836
2040 1 9 . 1 1 12 12 ILE CB C 12 34.763 34.763 35.599 -0.836 25836
2041 1 9 . 1 1 12 12 ILE H H 12 8.448 8.448 8.686 -0.238 25836
2042 1 9 . 1 1 13 13 GLY N N 13 114.867 114.867 116.630 -1.763 25836
2043 1 9 . 1 1 13 13 GLY CA C 13 41.954 41.954 45.000 -3.046 25836
2044 1 9 . 1 1 13 13 GLY H H 13 9.649 9.649 8.994 0.655 25836
2045 1 9 . 1 1 14 14 THR N N 14 118.155 118.155 117.520 0.635 25836
2046 1 9 . 1 1 14 14 THR HA H 14 4.049 4.049 4.593 -0.544 25836
2047 1 9 . 1 1 14 14 THR CA C 14 61.464 61.464 61.428 0.036 25836
2048 1 9 . 1 1 14 14 THR CB C 14 67.426 67.426 69.907 -2.481 25836
2049 1 9 . 1 1 14 14 THR H H 14 8.076 8.076 7.928 0.148 25836
2050 1 9 . 1 1 15 15 THR N N 15 123.193 123.193 115.441 7.752 25836
2051 1 9 . 1 1 15 15 THR HA H 15 4.824 4.824 4.382 0.442 25836
2052 1 9 . 1 1 15 15 THR CA C 15 61.148 61.148 62.270 -1.122 25836
2053 1 9 . 1 1 15 15 THR CB C 15 66.798 66.798 69.409 -2.611 25836
2054 1 9 . 1 1 15 15 THR H H 15 8.498 8.498 8.151 0.347 25836
2055 1 9 . 1 1 16 16 CYS N N 16 119.932 119.932 120.976 -1.044 25836
2056 1 9 . 1 1 16 16 CYS HA H 16 5.510 5.510 4.362 1.148 25836
2057 1 9 . 1 1 16 16 CYS CA C 16 50.274 50.274 56.732 -6.458 25836
2058 1 9 . 1 1 16 16 CYS CB C 16 45.557 45.557 28.873 16.684 25836
2059 1 9 . 1 1 16 16 CYS H H 16 8.384 8.384 8.283 0.101 25836
2060 1 9 . 1 1 17 17 SER N N 17 114.553 114.553 116.432 -1.879 25836
2061 1 9 . 1 1 17 17 SER HA H 17 4.676 4.676 4.413 0.263 25836
2062 1 9 . 1 1 17 17 SER CA C 17 56.391 56.391 58.184 -1.793 25836
2063 1 9 . 1 1 17 17 SER CB C 17 62.251 62.251 62.944 -0.693 25836
2064 1 9 . 1 1 17 17 SER H H 17 9.853 9.853 7.908 1.945 25836
2065 1 9 . 1 1 18 18 ASP N N 18 119.019 119.019 122.812 -3.793 25836
2066 1 9 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.226 0.404 25836
2067 1 9 . 1 1 18 18 ASP CA C 18 50.649 50.649 56.487 -5.838 25836
2068 1 9 . 1 1 18 18 ASP CB C 18 41.339 41.339 40.814 0.525 25836
2069 1 9 . 1 1 18 18 ASP H H 18 7.767 7.767 8.034 -0.267 25836
2070 1 9 . 1 1 19 19 ASP N N 19 121.627 121.627 119.087 2.540 25836
2071 1 9 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.289 -0.043 25836
2072 1 9 . 1 1 19 19 ASP CA C 19 55.706 55.706 55.312 0.394 25836
2073 1 9 . 1 1 19 19 ASP CB C 19 37.099 37.099 39.919 -2.820 25836
2074 1 9 . 1 1 19 19 ASP H H 19 8.916 8.916 8.780 0.136 25836
2075 1 9 . 1 1 20 20 CYS N N 20 117.427 117.427 114.676 2.751 25836
2076 1 9 . 1 1 20 20 CYS HA H 20 4.689 4.689 4.021 0.668 25836
2077 1 9 . 1 1 20 20 CYS CA C 20 52.798 52.798 60.023 -7.225 25836
2078 1 9 . 1 1 20 20 CYS CB C 20 36.331 36.331 25.966 10.365 25836
2079 1 9 . 1 1 20 20 CYS H H 20 9.308 9.308 8.729 0.579 25836
2080 1 9 . 1 1 21 21 ASP N N 21 120.031 120.031 120.457 -0.426 25836
2081 1 9 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.502 -0.774 25836
2082 1 9 . 1 1 21 21 ASP CA C 21 53.926 53.926 57.386 -3.461 25836
2083 1 9 . 1 1 21 21 ASP CB C 21 39.032 39.032 40.856 -1.824 25836
2084 1 9 . 1 1 21 21 ASP H H 21 7.897 7.897 8.051 -0.154 25836
2085 1 9 . 1 1 22 22 CYS N N 22 112.949 112.949 115.050 -2.101 25836
2086 1 9 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.819 0.455 25836
2087 1 9 . 1 1 22 22 CYS CA C 22 48.641 48.641 58.703 -10.062 25836
2088 1 9 . 1 1 22 22 CYS CB C 22 36.172 36.172 28.218 7.954 25836
2089 1 9 . 1 1 22 22 CYS H H 22 7.120 7.120 8.192 -1.072 25836
2090 1 9 . 1 1 23 23 CYS N N 23 124.612 124.612 122.526 2.086 25836
2091 1 9 . 1 1 23 23 CYS H H 23 11.256 11.256 8.723 2.533 25836
2092 1 9 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.649 -0.603 25836
2093 1 9 . 1 1 24 24 PRO CA C 24 63.522 63.522 64.598 -1.076 25836
2094 1 9 . 1 1 24 24 PRO CB C 24 37.298 37.298 32.128 5.170 25836
2095 1 9 . 1 1 25 25 GLU N N 25 114.549 114.549 116.324 -1.775 25836
2096 1 9 . 1 1 25 25 GLU HA H 25 4.355 4.355 4.136 0.219 25836
2097 1 9 . 1 1 25 25 GLU CA C 25 54.444 54.444 58.384 -3.940 25836
2098 1 9 . 1 1 25 25 GLU CB C 25 25.751 25.751 29.879 -4.128 25836
2099 1 9 . 1 1 25 25 GLU H H 25 9.041 9.041 8.695 0.346 25836
2100 1 9 . 1 1 26 26 HIS N N 26 123.352 123.352 114.399 8.953 25836
2101 1 9 . 1 1 26 26 HIS HA H 26 5.408 5.408 5.119 0.289 25836
2102 1 9 . 1 1 26 26 HIS CA C 26 50.399 50.399 55.661 -5.262 25836
2103 1 9 . 1 1 26 26 HIS CB C 26 33.143 33.143 33.002 0.141 25836
2104 1 9 . 1 1 26 26 HIS H H 26 8.118 8.118 7.290 0.828 25836
2105 1 9 . 1 1 27 27 HIS N N 27 112.923 112.923 117.736 -4.813 25836
2106 1 9 . 1 1 27 27 HIS HA H 27 4.644 4.644 4.944 -0.300 25836
2107 1 9 . 1 1 27 27 HIS CA C 27 52.622 52.622 54.413 -1.791 25836
2108 1 9 . 1 1 27 27 HIS CB C 27 28.231 28.231 34.098 -5.867 25836
2109 1 9 . 1 1 27 27 HIS H H 27 9.365 9.365 9.013 0.352 25836
2110 1 9 . 1 1 28 28 CYS N N 28 121.103 121.103 120.381 0.722 25836
2111 1 9 . 1 1 28 28 CYS HA H 28 4.803 4.803 4.583 0.220 25836
2112 1 9 . 1 1 28 28 CYS CA C 28 52.733 52.733 57.995 -5.262 25836
2113 1 9 . 1 1 28 28 CYS CB C 28 34.784 34.784 25.799 8.985 25836
2114 1 9 . 1 1 28 28 CYS H H 28 9.499 9.499 8.076 1.423 25836
2115 1 9 . 1 1 29 29 HIS N N 29 132.381 132.381 125.070 7.311 25836
2116 1 9 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.560 -0.036 25836
2117 1 9 . 1 1 29 29 HIS CA C 29 53.855 53.855 56.934 -3.079 25836
2118 1 9 . 1 1 29 29 HIS CB C 29 28.973 28.973 30.444 -1.470 25836
2119 1 9 . 1 1 29 29 HIS H H 29 8.938 8.938 8.901 0.037 25836
2120 1 9 . 1 1 30 30 CYS N N 30 127.165 127.165 126.317 0.848 25836
2121 1 9 . 1 1 30 30 CYS HA H 30 5.146 5.146 4.634 0.512 25836
2122 1 9 . 1 1 30 30 CYS CA C 30 48.824 48.824 56.293 -7.469 25836
2123 1 9 . 1 1 30 30 CYS CB C 30 41.470 41.470 29.000 12.470 25836
2124 1 9 . 1 1 30 30 CYS H H 30 8.400 8.400 8.202 0.198 25836
2125 1 9 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.284 -0.008 25836
2126 1 9 . 1 1 31 31 PRO CA C 31 60.702 60.702 62.777 -2.075 25836
2127 1 9 . 1 1 31 31 PRO CB C 31 29.441 29.441 32.346 -2.905 25836
2128 1 9 . 1 1 32 32 ALA N N 32 122.630 122.630 119.416 3.214 25836
2129 1 9 . 1 1 32 32 ALA HA H 32 4.430 4.430 5.044 -0.614 25836
2130 1 9 . 1 1 32 32 ALA CA C 32 49.453 49.453 51.907 -2.454 25836
2131 1 9 . 1 1 32 32 ALA CB C 32 16.936 16.936 20.684 -3.748 25836
2132 1 9 . 1 1 32 32 ALA H H 32 8.367 8.367 8.842 -0.475 25836
2133 1 9 . 1 1 33 33 GLY N N 33 107.375 107.375 107.590 -0.215 25836
2134 1 9 . 1 1 33 33 GLY CA C 33 42.443 42.443 44.455 -2.012 25836
2135 1 9 . 1 1 33 33 GLY H H 33 8.097 8.097 8.199 -0.102 25836
2136 1 9 . 1 1 34 34 LYS N N 34 119.653 119.653 120.339 -0.686 25836
2137 1 9 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.294 0.020 25836
2138 1 9 . 1 1 34 34 LYS CA C 34 61.156 61.156 56.078 5.078 25836
2139 1 9 . 1 1 34 34 LYS CB C 34 30.378 30.378 33.233 -2.855 25836
2140 1 9 . 1 1 34 34 LYS H H 34 7.852 7.852 8.477 -0.625 25836
2141 1 9 . 1 1 35 35 TRP N N 35 122.428 122.428 121.873 0.555 25836
2142 1 9 . 1 1 35 35 TRP CB C 35 27.248 27.248 29.118 -1.870 25836
2143 1 9 . 1 1 35 35 TRP H H 35 8.130 8.130 8.392 -0.262 25836
2144 1 9 . 1 1 36 36 LEU N N 36 125.209 125.209 122.221 2.988 25836
2145 1 9 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.889 0.660 25836
2146 1 9 . 1 1 36 36 LEU CA C 36 50.156 50.156 54.621 -4.465 25836
2147 1 9 . 1 1 36 36 LEU CB C 36 40.225 40.225 40.046 0.179 25836
2148 1 9 . 1 1 36 36 LEU H H 36 7.460 7.460 8.142 -0.682 25836
2149 1 9 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.624 -0.323 25836
2150 1 9 . 1 1 37 37 PRO CA C 37 56.645 56.645 62.610 -5.965 25836
2151 1 9 . 1 1 38 38 GLY N N 38 109.686 109.686 108.945 0.741 25836
2152 1 9 . 1 1 38 38 GLY CA C 38 42.884 42.884 46.192 -3.308 25836
2153 1 9 . 1 1 38 38 GLY H H 38 8.480 8.480 8.579 -0.099 25836
2154 1 9 . 1 1 39 39 LEU N N 39 121.083 121.083 118.950 2.133 25836
2155 1 9 . 1 1 39 39 LEU HA H 39 4.360 4.360 4.228 0.132 25836
2156 1 9 . 1 1 39 39 LEU CA C 39 52.798 52.798 56.030 -3.232 25836
2157 1 9 . 1 1 39 39 LEU CB C 39 40.369 40.369 41.977 -1.608 25836
2158 1 9 . 1 1 39 39 LEU H H 39 7.847 7.847 7.952 -0.105 25836
2159 1 9 . 1 1 40 40 PHE N N 40 118.886 118.886 117.820 1.066 25836
2160 1 9 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.568 0.006 25836
2161 1 9 . 1 1 40 40 PHE CA C 40 54.489 54.489 57.258 -2.769 25836
2162 1 9 . 1 1 40 40 PHE CB C 40 37.271 37.271 40.501 -3.230 25836
2163 1 9 . 1 1 40 40 PHE H H 40 7.868 7.868 7.824 0.044 25836
2164 1 9 . 1 1 41 41 ARG N N 41 121.171 121.171 121.721 -0.550 25836
2165 1 9 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.257 0.159 25836
2166 1 9 . 1 1 41 41 ARG CA C 41 52.974 52.974 56.295 -3.321 25836
2167 1 9 . 1 1 41 41 ARG CB C 41 29.148 29.148 30.984 -1.836 25836
2168 1 9 . 1 1 41 41 ARG H H 41 7.888 7.888 8.398 -0.510 25836
2169 1 9 . 1 1 42 42 CYS N N 42 123.035 123.035 117.537 5.498 25836
2170 1 9 . 1 1 42 42 CYS HA H 42 5.446 5.446 5.159 0.287 25836
2171 1 9 . 1 1 42 42 CYS CA C 42 53.979 53.979 56.998 -3.019 25836
2172 1 9 . 1 1 42 42 CYS CB C 42 45.543 45.543 30.954 14.588 25836
2173 1 9 . 1 1 42 42 CYS H H 42 8.731 8.731 8.416 0.315 25836
2174 1 9 . 1 1 43 43 THR N N 43 111.223 111.223 110.410 0.813 25836
2175 1 9 . 1 1 43 43 THR HA H 43 5.402 5.402 4.866 0.536 25836
2176 1 9 . 1 1 43 43 THR CA C 43 57.581 57.581 60.689 -3.108 25836
2177 1 9 . 1 1 43 43 THR CB C 43 71.715 71.715 71.172 0.543 25836
2178 1 9 . 1 1 43 43 THR H H 43 8.659 8.659 8.591 0.068 25836
2179 1 9 . 1 1 44 44 CYS N N 44 120.754 120.754 123.961 -3.207 25836
2180 1 9 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.270 0.059 25836
2181 1 9 . 1 1 44 44 CYS CA C 44 52.398 52.398 59.450 -7.052 25836
2182 1 9 . 1 1 44 44 CYS CB C 44 36.766 36.766 26.810 9.956 25836
2183 1 9 . 1 1 44 44 CYS H H 44 8.404 8.404 8.801 -0.397 25836
2184 1 9 . 1 1 45 45 GLN N N 45 121.589 121.589 124.980 -3.391 25836
2185 1 9 . 1 1 45 45 GLN HA H 45 4.695 4.695 4.834 -0.139 25836
2186 1 9 . 1 1 45 45 GLN CA C 45 51.495 51.495 53.743 -2.248 25836
2187 1 9 . 1 1 45 45 GLN CB C 45 31.136 31.136 33.327 -2.191 25836
2188 1 9 . 1 1 45 45 GLN H H 45 9.247 9.247 9.052 0.195 25836
2189 1 9 . 1 1 46 46 VAL N N 46 119.594 119.594 123.015 -3.421 25836
2190 1 9 . 1 1 46 46 VAL HA H 46 4.149 4.149 3.845 0.304 25836
2191 1 9 . 1 1 46 46 VAL CA C 46 61.358 61.358 63.192 -1.834 25836
2192 1 9 . 1 1 46 46 VAL CB C 46 29.629 29.629 32.271 -2.642 25836
2193 1 9 . 1 1 46 46 VAL H H 46 8.703 8.703 8.633 0.070 25836
2194 1 9 . 1 1 47 47 THR N N 47 118.278 118.278 121.319 -3.041 25836
2195 1 9 . 1 1 47 47 THR HA H 47 4.169 4.169 4.637 -0.468 25836
2196 1 9 . 1 1 47 47 THR CA C 47 59.491 59.491 61.059 -1.568 25836
2197 1 9 . 1 1 47 47 THR CB C 47 66.789 66.789 70.642 -3.853 25836
2198 1 9 . 1 1 47 47 THR H H 47 8.002 8.002 8.437 -0.435 25836
2199 1 9 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.472 -0.010 25836
2200 1 9 . 1 1 49 49 SER N N 49 114.478 114.478 117.530 -3.052 25836
2201 1 9 . 1 1 49 49 SER HA H 49 4.291 4.291 4.388 -0.097 25836
2202 1 9 . 1 1 49 49 SER CA C 49 51.081 51.081 58.825 -7.744 25836
2203 1 9 . 1 1 49 49 SER CB C 49 60.846 60.846 63.703 -2.857 25836
2204 1 9 . 1 1 49 49 SER H H 49 8.304 8.304 7.890 0.414 25836
2205 1 9 . 1 1 50 50 ASP N N 50 118.750 118.750 121.028 -2.278 25836
2206 1 9 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.676 -0.095 25836
2207 1 9 . 1 1 50 50 ASP CA C 50 51.426 51.426 54.059 -2.634 25836
2208 1 9 . 1 1 50 50 ASP CB C 50 37.727 37.727 39.736 -2.009 25836
2209 1 9 . 1 1 50 50 ASP H H 50 8.469 8.469 8.567 -0.098 25836
2210 1 9 . 1 1 51 51 LYS N N 51 120.789 120.789 119.348 1.441 25836
2211 1 9 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.524 -0.065 25836
2212 1 9 . 1 1 51 51 LYS CA C 51 52.869 52.869 55.630 -2.761 25836
2213 1 9 . 1 1 51 51 LYS CB C 51 26.190 26.190 32.903 -6.713 25836
2214 1 9 . 1 1 51 51 LYS H H 51 7.824 7.824 7.927 -0.103 25836
2215 1 9 . 1 1 52 52 VAL N N 52 116.071 116.071 117.027 -0.956 25836
2216 1 9 . 1 1 52 52 VAL HA H 52 4.303 4.303 3.280 1.023 25836
2217 1 9 . 1 1 52 52 VAL CA C 52 57.941 57.941 58.089 -0.148 25836
2218 1 9 . 1 1 52 52 VAL CB C 52 31.464 31.464 34.859 -3.395 25836
2219 1 9 . 1 1 52 52 VAL H H 52 7.653 7.653 7.790 -0.137 25836
2220 1 9 . 1 1 53 53 ASN N N 53 123.498 123.498 119.100 4.398 25836
2221 1 9 . 1 1 53 53 ASN HA H 53 4.374 4.374 4.736 -0.362 25836
2222 1 9 . 1 1 53 53 ASN CA C 53 52.763 52.763 52.983 -0.220 25836
2223 1 9 . 1 1 53 53 ASN CB C 53 37.419 37.419 38.997 -1.578 25836
2224 1 9 . 1 1 53 53 ASN H H 53 8.495 8.495 8.506 -0.011 25836
2225 1 9 . 1 1 54 54 LYS N N 54 127.289 127.289 119.775 7.514 25836
2226 1 9 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.128 0.216 25836
2227 1 9 . 1 1 54 54 LYS CA C 54 53.397 53.397 58.334 -4.937 25836
2228 1 9 . 1 1 54 54 LYS CB C 54 29.422 29.422 32.477 -3.055 25836
2229 1 9 . 1 1 54 54 LYS H H 54 10.155 10.155 8.551 1.604 25836
2230 1 9 . 1 1 55 55 CYS N N 55 124.019 124.019 118.221 5.798 25836
2231 1 9 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.527 0.162 25836
2232 1 9 . 1 1 55 55 CYS CA C 55 52.235 52.235 57.825 -5.590 25836
2233 1 9 . 1 1 55 55 CYS CB C 55 40.134 40.134 26.752 13.382 25836
2234 1 9 . 1 1 55 55 CYS H H 55 8.698 8.698 8.043 0.655 25836
2235 1 9 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.319 0.270 25836
2236 1 9 . 1 1 57 57 PRO CB C 57 29.744 29.744 29.281 0.463 25836
2237 1 9 . 1 1 58 58 ALA N N 58 123.825 123.825 121.234 2.591 25836
2238 1 9 . 1 1 58 58 ALA HA H 58 4.351 4.351 3.918 0.433 25836
2239 1 9 . 1 1 58 58 ALA CA C 58 49.557 49.557 53.367 -3.810 25836
2240 1 9 . 1 1 58 58 ALA CB C 58 16.910 16.910 17.830 -0.920 25836
2241 1 9 . 1 1 58 58 ALA H H 58 8.426 8.426 8.642 -0.216 25836
2242 1 10 . 1 1 2 2 THR N N 2 112.683 112.683 116.004 -3.321 25836
2243 1 10 . 1 1 2 2 THR HA H 2 4.483 4.483 4.713 -0.230 25836
2244 1 10 . 1 1 2 2 THR H H 2 8.031 8.031 8.249 -0.218 25836
2245 1 10 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.648 -0.336 25836
2246 1 10 . 1 1 3 3 PRO CA C 3 51.149 51.149 62.650 -11.501 25836
2247 1 10 . 1 1 3 3 PRO CB C 3 29.323 29.323 32.806 -3.483 25836
2248 1 10 . 1 1 4 4 VAL N N 4 120.622 120.622 119.867 0.755 25836
2249 1 10 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.277 -0.007 25836
2250 1 10 . 1 1 4 4 VAL CA C 4 58.505 58.505 61.915 -3.410 25836
2251 1 10 . 1 1 4 4 VAL CB C 4 31.307 31.307 33.926 -2.619 25836
2252 1 10 . 1 1 4 4 VAL H H 4 8.113 8.113 7.970 0.143 25836
2253 1 10 . 1 1 5 5 GLY N N 5 115.132 115.132 112.626 2.506 25836
2254 1 10 . 1 1 5 5 GLY CA C 5 44.133 44.133 44.664 -0.531 25836
2255 1 10 . 1 1 5 5 GLY H H 5 8.736 8.736 8.591 0.145 25836
2256 1 10 . 1 1 6 6 ASN N N 6 123.501 123.501 121.377 2.124 25836
2257 1 10 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.561 0.167 25836
2258 1 10 . 1 1 6 6 ASN CA C 6 50.698 50.698 54.420 -3.722 25836
2259 1 10 . 1 1 6 6 ASN CB C 6 36.797 36.797 38.905 -2.108 25836
2260 1 10 . 1 1 6 6 ASN H H 6 9.148 9.148 8.949 0.199 25836
2261 1 10 . 1 1 7 7 ASN N N 7 118.968 118.968 117.745 1.223 25836
2262 1 10 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.809 0.486 25836
2263 1 10 . 1 1 7 7 ASN CA C 7 51.671 51.671 54.259 -2.588 25836
2264 1 10 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.541 1.060 25836
2265 1 10 . 1 1 7 7 ASN H H 7 8.515 8.515 8.201 0.314 25836
2266 1 10 . 1 1 8 8 LYS N N 8 123.142 123.142 122.452 0.690 25836
2267 1 10 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.196 -0.387 25836
2268 1 10 . 1 1 8 8 LYS CA C 8 55.264 55.264 57.583 -2.319 25836
2269 1 10 . 1 1 8 8 LYS CB C 8 29.383 29.383 32.692 -3.309 25836
2270 1 10 . 1 1 8 8 LYS H H 8 9.294 9.294 8.382 0.912 25836
2271 1 10 . 1 1 9 9 CYS N N 9 111.161 111.161 118.296 -7.135 25836
2272 1 10 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.344 -0.274 25836
2273 1 10 . 1 1 9 9 CYS CA C 9 51.847 51.847 59.384 -7.537 25836
2274 1 10 . 1 1 9 9 CYS CB C 9 32.263 32.263 25.197 7.066 25836
2275 1 10 . 1 1 9 9 CYS H H 9 6.690 6.690 8.133 -1.443 25836
2276 1 10 . 1 1 10 10 TRP N N 10 119.159 119.159 125.245 -6.086 25836
2277 1 10 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.519 0.418 25836
2278 1 10 . 1 1 10 10 TRP CA C 10 53.032 53.032 57.244 -4.212 25836
2279 1 10 . 1 1 10 10 TRP CB C 10 26.379 26.379 31.029 -4.650 25836
2280 1 10 . 1 1 10 10 TRP H H 10 8.232 8.232 8.361 -0.129 25836
2281 1 10 . 1 1 11 11 ALA N N 11 119.150 119.150 122.778 -3.628 25836
2282 1 10 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.396 -0.044 25836
2283 1 10 . 1 1 11 11 ALA CA C 11 49.381 49.381 51.291 -1.910 25836
2284 1 10 . 1 1 11 11 ALA CB C 11 17.253 17.253 19.711 -2.458 25836
2285 1 10 . 1 1 11 11 ALA H H 11 8.159 8.159 8.365 -0.206 25836
2286 1 10 . 1 1 12 12 ILE N N 12 121.974 121.974 123.971 -1.997 25836
2287 1 10 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.971 -0.372 25836
2288 1 10 . 1 1 12 12 ILE CA C 12 59.657 59.657 63.086 -3.429 25836
2289 1 10 . 1 1 12 12 ILE CB C 12 34.763 34.763 37.054 -2.291 25836
2290 1 10 . 1 1 12 12 ILE H H 12 8.448 8.448 8.768 -0.320 25836
2291 1 10 . 1 1 13 13 GLY N N 13 114.867 114.867 115.983 -1.116 25836
2292 1 10 . 1 1 13 13 GLY CA C 13 41.954 41.954 45.175 -3.221 25836
2293 1 10 . 1 1 13 13 GLY H H 13 9.649 9.649 9.089 0.560 25836
2294 1 10 . 1 1 14 14 THR N N 14 118.155 118.155 116.406 1.749 25836
2295 1 10 . 1 1 14 14 THR HA H 14 4.049 4.049 4.747 -0.698 25836
2296 1 10 . 1 1 14 14 THR CA C 14 61.464 61.464 60.881 0.583 25836
2297 1 10 . 1 1 14 14 THR CB C 14 67.426 67.426 69.740 -2.313 25836
2298 1 10 . 1 1 14 14 THR H H 14 8.076 8.076 7.907 0.169 25836
2299 1 10 . 1 1 15 15 THR N N 15 123.193 123.193 115.534 7.659 25836
2300 1 10 . 1 1 15 15 THR HA H 15 4.824 4.824 4.290 0.534 25836
2301 1 10 . 1 1 15 15 THR CA C 15 61.148 61.148 63.315 -2.167 25836
2302 1 10 . 1 1 15 15 THR CB C 15 66.798 66.798 69.513 -2.715 25836
2303 1 10 . 1 1 15 15 THR H H 15 8.498 8.498 8.544 -0.046 25836
2304 1 10 . 1 1 16 16 CYS N N 16 119.932 119.932 117.389 2.543 25836
2305 1 10 . 1 1 16 16 CYS HA H 16 5.510 5.510 4.059 1.451 25836
2306 1 10 . 1 1 16 16 CYS CA C 16 50.274 50.274 56.751 -6.477 25836
2307 1 10 . 1 1 16 16 CYS CB C 16 45.557 45.557 29.467 16.090 25836
2308 1 10 . 1 1 16 16 CYS H H 16 8.384 8.384 8.205 0.179 25836
2309 1 10 . 1 1 17 17 SER N N 17 114.553 114.553 117.177 -2.624 25836
2310 1 10 . 1 1 17 17 SER HA H 17 4.676 4.676 4.250 0.426 25836
2311 1 10 . 1 1 17 17 SER CA C 17 56.391 56.391 58.430 -2.039 25836
2312 1 10 . 1 1 17 17 SER CB C 17 62.251 62.251 63.447 -1.196 25836
2313 1 10 . 1 1 17 17 SER H H 17 9.853 9.853 8.601 1.252 25836
2314 1 10 . 1 1 18 18 ASP N N 18 119.019 119.019 121.279 -2.260 25836
2315 1 10 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.215 0.415 25836
2316 1 10 . 1 1 18 18 ASP CA C 18 50.649 50.649 56.235 -5.586 25836
2317 1 10 . 1 1 18 18 ASP CB C 18 41.339 41.339 40.180 1.159 25836
2318 1 10 . 1 1 18 18 ASP H H 18 7.767 7.767 8.048 -0.281 25836
2319 1 10 . 1 1 19 19 ASP N N 19 121.627 121.627 120.676 0.951 25836
2320 1 10 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.270 -0.024 25836
2321 1 10 . 1 1 19 19 ASP CA C 19 55.706 55.706 54.908 0.798 25836
2322 1 10 . 1 1 19 19 ASP CB C 19 37.099 37.099 39.657 -2.558 25836
2323 1 10 . 1 1 19 19 ASP H H 19 8.916 8.916 8.523 0.393 25836
2324 1 10 . 1 1 20 20 CYS N N 20 117.427 117.427 116.190 1.237 25836
2325 1 10 . 1 1 20 20 CYS HA H 20 4.689 4.689 4.029 0.660 25836
2326 1 10 . 1 1 20 20 CYS CA C 20 52.798 52.798 60.151 -7.353 25836
2327 1 10 . 1 1 20 20 CYS CB C 20 36.331 36.331 25.724 10.607 25836
2328 1 10 . 1 1 20 20 CYS H H 20 9.308 9.308 8.787 0.521 25836
2329 1 10 . 1 1 21 21 ASP N N 21 120.031 120.031 120.553 -0.522 25836
2330 1 10 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.440 -0.712 25836
2331 1 10 . 1 1 21 21 ASP CA C 21 53.926 53.926 56.931 -3.005 25836
2332 1 10 . 1 1 21 21 ASP CB C 21 39.032 39.032 40.798 -1.766 25836
2333 1 10 . 1 1 21 21 ASP H H 21 7.897 7.897 8.443 -0.546 25836
2334 1 10 . 1 1 22 22 CYS N N 22 112.949 112.949 116.213 -3.264 25836
2335 1 10 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.589 0.685 25836
2336 1 10 . 1 1 22 22 CYS CA C 22 48.641 48.641 58.990 -10.349 25836
2337 1 10 . 1 1 22 22 CYS CB C 22 36.172 36.172 27.849 8.323 25836
2338 1 10 . 1 1 22 22 CYS H H 22 7.120 7.120 8.103 -0.983 25836
2339 1 10 . 1 1 23 23 CYS N N 23 124.612 124.612 123.484 1.128 25836
2340 1 10 . 1 1 23 23 CYS H H 23 11.256 11.256 8.819 2.437 25836
2341 1 10 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.602 -0.556 25836
2342 1 10 . 1 1 24 24 PRO CA C 24 63.522 63.522 64.748 -1.226 25836
2343 1 10 . 1 1 24 24 PRO CB C 24 37.298 37.298 32.248 5.050 25836
2344 1 10 . 1 1 25 25 GLU N N 25 114.549 114.549 116.702 -2.153 25836
2345 1 10 . 1 1 25 25 GLU HA H 25 4.355 4.355 4.546 -0.191 25836
2346 1 10 . 1 1 25 25 GLU CA C 25 54.444 54.444 56.028 -1.584 25836
2347 1 10 . 1 1 25 25 GLU CB C 25 25.751 25.751 29.865 -4.114 25836
2348 1 10 . 1 1 25 25 GLU H H 25 9.041 9.041 8.769 0.272 25836
2349 1 10 . 1 1 26 26 HIS N N 26 123.352 123.352 117.202 6.150 25836
2350 1 10 . 1 1 26 26 HIS HA H 26 5.408 5.408 5.333 0.075 25836
2351 1 10 . 1 1 26 26 HIS CA C 26 50.399 50.399 55.643 -5.244 25836
2352 1 10 . 1 1 26 26 HIS CB C 26 33.143 33.143 33.027 0.116 25836
2353 1 10 . 1 1 26 26 HIS H H 26 8.118 8.118 7.600 0.518 25836
2354 1 10 . 1 1 27 27 HIS N N 27 112.923 112.923 116.732 -3.809 25836
2355 1 10 . 1 1 27 27 HIS HA H 27 4.644 4.644 5.002 -0.358 25836
2356 1 10 . 1 1 27 27 HIS CA C 27 52.622 52.622 55.499 -2.877 25836
2357 1 10 . 1 1 27 27 HIS CB C 27 28.231 28.231 34.338 -6.107 25836
2358 1 10 . 1 1 27 27 HIS H H 27 9.365 9.365 9.255 0.110 25836
2359 1 10 . 1 1 28 28 CYS N N 28 121.103 121.103 120.703 0.400 25836
2360 1 10 . 1 1 28 28 CYS HA H 28 4.803 4.803 5.068 -0.265 25836
2361 1 10 . 1 1 28 28 CYS CA C 28 52.733 52.733 58.266 -5.533 25836
2362 1 10 . 1 1 28 28 CYS CB C 28 34.784 34.784 27.163 7.622 25836
2363 1 10 . 1 1 28 28 CYS H H 28 9.499 9.499 8.587 0.912 25836
2364 1 10 . 1 1 29 29 HIS N N 29 132.381 132.381 124.952 7.429 25836
2365 1 10 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.636 -0.112 25836
2366 1 10 . 1 1 29 29 HIS CA C 29 53.855 53.855 57.154 -3.299 25836
2367 1 10 . 1 1 29 29 HIS CB C 29 28.973 28.973 30.585 -1.612 25836
2368 1 10 . 1 1 29 29 HIS H H 29 8.938 8.938 9.147 -0.209 25836
2369 1 10 . 1 1 30 30 CYS N N 30 127.165 127.165 126.037 1.128 25836
2370 1 10 . 1 1 30 30 CYS HA H 30 5.146 5.146 4.721 0.425 25836
2371 1 10 . 1 1 30 30 CYS CA C 30 48.824 48.824 56.356 -7.532 25836
2372 1 10 . 1 1 30 30 CYS CB C 30 41.470 41.470 30.042 11.428 25836
2373 1 10 . 1 1 30 30 CYS H H 30 8.400 8.400 8.613 -0.213 25836
2374 1 10 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.362 -0.086 25836
2375 1 10 . 1 1 31 31 PRO CA C 31 60.702 60.702 62.909 -2.207 25836
2376 1 10 . 1 1 31 31 PRO CB C 31 29.441 29.441 32.573 -3.132 25836
2377 1 10 . 1 1 32 32 ALA N N 32 122.630 122.630 121.328 1.302 25836
2378 1 10 . 1 1 32 32 ALA HA H 32 4.430 4.430 4.552 -0.122 25836
2379 1 10 . 1 1 32 32 ALA CA C 32 49.453 49.453 51.347 -1.894 25836
2380 1 10 . 1 1 32 32 ALA CB C 32 16.936 16.936 20.724 -3.788 25836
2381 1 10 . 1 1 32 32 ALA H H 32 8.367 8.367 8.098 0.269 25836
2382 1 10 . 1 1 33 33 GLY N N 33 107.375 107.375 107.817 -0.442 25836
2383 1 10 . 1 1 33 33 GLY CA C 33 42.443 42.443 44.756 -2.313 25836
2384 1 10 . 1 1 33 33 GLY H H 33 8.097 8.097 8.306 -0.209 25836
2385 1 10 . 1 1 34 34 LYS N N 34 119.653 119.653 119.857 -0.204 25836
2386 1 10 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.135 0.179 25836
2387 1 10 . 1 1 34 34 LYS CA C 34 61.156 61.156 56.816 4.340 25836
2388 1 10 . 1 1 34 34 LYS CB C 34 30.378 30.378 32.874 -2.496 25836
2389 1 10 . 1 1 34 34 LYS H H 34 7.852 7.852 8.206 -0.354 25836
2390 1 10 . 1 1 35 35 TRP N N 35 122.428 122.428 120.814 1.614 25836
2391 1 10 . 1 1 35 35 TRP CB C 35 27.248 27.248 29.397 -2.149 25836
2392 1 10 . 1 1 35 35 TRP H H 35 8.130 8.130 8.252 -0.121 25836
2393 1 10 . 1 1 36 36 LEU N N 36 125.209 125.209 122.759 2.450 25836
2394 1 10 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.452 1.097 25836
2395 1 10 . 1 1 36 36 LEU CA C 36 50.156 50.156 54.212 -4.056 25836
2396 1 10 . 1 1 36 36 LEU CB C 36 40.225 40.225 41.193 -0.968 25836
2397 1 10 . 1 1 36 36 LEU H H 36 7.460 7.460 7.152 0.308 25836
2398 1 10 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.360 -0.059 25836
2399 1 10 . 1 1 37 37 PRO CA C 37 56.645 56.645 62.610 -5.965 25836
2400 1 10 . 1 1 38 38 GLY N N 38 109.686 109.686 108.021 1.665 25836
2401 1 10 . 1 1 38 38 GLY CA C 38 42.884 42.884 45.171 -2.287 25836
2402 1 10 . 1 1 38 38 GLY H H 38 8.480 8.480 8.382 0.098 25836
2403 1 10 . 1 1 39 39 LEU N N 39 121.083 121.083 119.070 2.013 25836
2404 1 10 . 1 1 39 39 LEU HA H 39 4.360 4.360 4.006 0.354 25836
2405 1 10 . 1 1 39 39 LEU CA C 39 52.798 52.798 55.233 -2.435 25836
2406 1 10 . 1 1 39 39 LEU CB C 39 40.369 40.369 41.799 -1.430 25836
2407 1 10 . 1 1 39 39 LEU H H 39 7.847 7.847 7.706 0.141 25836
2408 1 10 . 1 1 40 40 PHE N N 40 118.886 118.886 124.434 -5.548 25836
2409 1 10 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.578 -0.004 25836
2410 1 10 . 1 1 40 40 PHE CA C 40 54.489 54.489 57.327 -2.838 25836
2411 1 10 . 1 1 40 40 PHE CB C 40 37.271 37.271 40.090 -2.819 25836
2412 1 10 . 1 1 40 40 PHE H H 40 7.868 7.868 8.179 -0.311 25836
2413 1 10 . 1 1 41 41 ARG N N 41 121.171 121.171 121.056 0.115 25836
2414 1 10 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.212 0.204 25836
2415 1 10 . 1 1 41 41 ARG CA C 41 52.974 52.974 56.126 -3.152 25836
2416 1 10 . 1 1 41 41 ARG CB C 41 29.148 29.148 30.334 -1.186 25836
2417 1 10 . 1 1 41 41 ARG H H 41 7.888 7.888 8.569 -0.681 25836
2418 1 10 . 1 1 42 42 CYS N N 42 123.035 123.035 118.857 4.178 25836
2419 1 10 . 1 1 42 42 CYS HA H 42 5.446 5.446 5.241 0.205 25836
2420 1 10 . 1 1 42 42 CYS CA C 42 53.979 53.979 58.122 -4.143 25836
2421 1 10 . 1 1 42 42 CYS CB C 42 45.543 45.543 28.218 17.325 25836
2422 1 10 . 1 1 42 42 CYS H H 42 8.731 8.731 8.318 0.413 25836
2423 1 10 . 1 1 43 43 THR N N 43 111.223 111.223 116.056 -4.833 25836
2424 1 10 . 1 1 43 43 THR HA H 43 5.402 5.402 4.875 0.527 25836
2425 1 10 . 1 1 43 43 THR CA C 43 57.581 57.581 60.701 -3.120 25836
2426 1 10 . 1 1 43 43 THR CB C 43 71.715 71.715 71.670 0.045 25836
2427 1 10 . 1 1 43 43 THR H H 43 8.659 8.659 8.608 0.051 25836
2428 1 10 . 1 1 44 44 CYS N N 44 120.754 120.754 124.240 -3.486 25836
2429 1 10 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.248 0.081 25836
2430 1 10 . 1 1 44 44 CYS CA C 44 52.398 52.398 59.955 -7.557 25836
2431 1 10 . 1 1 44 44 CYS CB C 44 36.766 36.766 26.291 10.475 25836
2432 1 10 . 1 1 44 44 CYS H H 44 8.404 8.404 8.888 -0.484 25836
2433 1 10 . 1 1 45 45 GLN N N 45 121.589 121.589 126.486 -4.897 25836
2434 1 10 . 1 1 45 45 GLN HA H 45 4.695 4.695 4.830 -0.135 25836
2435 1 10 . 1 1 45 45 GLN CA C 45 51.495 51.495 53.692 -2.197 25836
2436 1 10 . 1 1 45 45 GLN CB C 45 31.136 31.136 32.132 -0.996 25836
2437 1 10 . 1 1 45 45 GLN H H 45 9.247 9.247 8.844 0.403 25836
2438 1 10 . 1 1 46 46 VAL N N 46 119.594 119.594 120.864 -1.270 25836
2439 1 10 . 1 1 46 46 VAL HA H 46 4.149 4.149 3.429 0.720 25836
2440 1 10 . 1 1 46 46 VAL CA C 46 61.358 61.358 62.772 -1.414 25836
2441 1 10 . 1 1 46 46 VAL CB C 46 29.629 29.629 31.926 -2.297 25836
2442 1 10 . 1 1 46 46 VAL H H 46 8.703 8.703 8.384 0.319 25836
2443 1 10 . 1 1 47 47 THR N N 47 118.278 118.278 120.446 -2.168 25836
2444 1 10 . 1 1 47 47 THR HA H 47 4.169 4.169 4.512 -0.343 25836
2445 1 10 . 1 1 47 47 THR CA C 47 59.491 59.491 61.560 -2.069 25836
2446 1 10 . 1 1 47 47 THR CB C 47 66.789 66.789 68.863 -2.074 25836
2447 1 10 . 1 1 47 47 THR H H 47 8.002 8.002 8.165 -0.163 25836
2448 1 10 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.127 0.335 25836
2449 1 10 . 1 1 49 49 SER N N 49 114.478 114.478 115.826 -1.348 25836
2450 1 10 . 1 1 49 49 SER HA H 49 4.291 4.291 4.470 -0.179 25836
2451 1 10 . 1 1 49 49 SER CA C 49 51.081 51.081 57.875 -6.794 25836
2452 1 10 . 1 1 49 49 SER CB C 49 60.846 60.846 63.664 -2.818 25836
2453 1 10 . 1 1 49 49 SER H H 49 8.304 8.304 8.049 0.255 25836
2454 1 10 . 1 1 50 50 ASP N N 50 118.750 118.750 121.242 -2.492 25836
2455 1 10 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.727 -0.146 25836
2456 1 10 . 1 1 50 50 ASP CA C 50 51.426 51.426 54.034 -2.608 25836
2457 1 10 . 1 1 50 50 ASP CB C 50 37.727 37.727 40.226 -2.499 25836
2458 1 10 . 1 1 50 50 ASP H H 50 8.469 8.469 8.544 -0.075 25836
2459 1 10 . 1 1 51 51 LYS N N 51 120.789 120.789 120.909 -0.120 25836
2460 1 10 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.550 -0.091 25836
2461 1 10 . 1 1 51 51 LYS CA C 51 52.869 52.869 55.535 -2.666 25836
2462 1 10 . 1 1 51 51 LYS CB C 51 26.190 26.190 33.367 -7.177 25836
2463 1 10 . 1 1 51 51 LYS H H 51 7.824 7.824 7.476 0.348 25836
2464 1 10 . 1 1 52 52 VAL N N 52 116.071 116.071 118.030 -1.959 25836
2465 1 10 . 1 1 52 52 VAL HA H 52 4.303 4.303 4.305 -0.002 25836
2466 1 10 . 1 1 52 52 VAL CA C 52 57.941 57.941 59.688 -1.747 25836
2467 1 10 . 1 1 52 52 VAL CB C 52 31.464 31.464 35.109 -3.645 25836
2468 1 10 . 1 1 52 52 VAL H H 52 7.653 7.653 8.096 -0.443 25836
2469 1 10 . 1 1 53 53 ASN N N 53 123.498 123.498 120.586 2.912 25836
2470 1 10 . 1 1 53 53 ASN HA H 53 4.374 4.374 4.691 -0.318 25836
2471 1 10 . 1 1 53 53 ASN CA C 53 52.763 52.763 53.439 -0.676 25836
2472 1 10 . 1 1 53 53 ASN CB C 53 37.419 37.419 38.861 -1.442 25836
2473 1 10 . 1 1 53 53 ASN H H 53 8.495 8.495 8.732 -0.237 25836
2474 1 10 . 1 1 54 54 LYS N N 54 127.289 127.289 119.912 7.377 25836
2475 1 10 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.134 0.210 25836
2476 1 10 . 1 1 54 54 LYS CA C 54 53.397 53.397 58.215 -4.818 25836
2477 1 10 . 1 1 54 54 LYS CB C 54 29.422 29.422 32.447 -3.025 25836
2478 1 10 . 1 1 54 54 LYS H H 54 10.155 10.155 8.410 1.745 25836
2479 1 10 . 1 1 55 55 CYS N N 55 124.019 124.019 117.824 6.195 25836
2480 1 10 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.531 0.158 25836
2481 1 10 . 1 1 55 55 CYS CA C 55 52.235 52.235 57.983 -5.748 25836
2482 1 10 . 1 1 55 55 CYS CB C 55 40.134 40.134 26.845 13.289 25836
2483 1 10 . 1 1 55 55 CYS H H 55 8.698 8.698 7.992 0.706 25836
2484 1 10 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.403 0.186 25836
2485 1 10 . 1 1 57 57 PRO CB C 57 29.744 29.744 32.337 -2.593 25836
2486 1 10 . 1 1 58 58 ALA N N 58 123.825 123.825 118.866 4.959 25836
2487 1 10 . 1 1 58 58 ALA HA H 58 4.351 4.351 4.550 -0.199 25836
2488 1 10 . 1 1 58 58 ALA CA C 58 49.557 49.557 51.296 -1.739 25836
2489 1 10 . 1 1 58 58 ALA CB C 58 16.910 16.910 20.620 -3.711 25836
2490 1 10 . 1 1 58 58 ALA H H 58 8.426 8.426 8.048 0.378 25836
2491 1 11 . 1 1 2 2 THR N N 2 112.683 112.683 114.282 -1.599 25836
2492 1 11 . 1 1 2 2 THR HA H 2 4.483 4.483 4.296 0.187 25836
2493 1 11 . 1 1 2 2 THR H H 2 8.031 8.031 8.094 -0.063 25836
2494 1 11 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.569 -0.257 25836
2495 1 11 . 1 1 3 3 PRO CA C 3 51.149 51.149 62.691 -11.541 25836
2496 1 11 . 1 1 3 3 PRO CB C 3 29.323 29.323 32.345 -3.022 25836
2497 1 11 . 1 1 4 4 VAL N N 4 120.622 120.622 120.159 0.463 25836
2498 1 11 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.099 0.171 25836
2499 1 11 . 1 1 4 4 VAL CA C 4 58.505 58.505 63.168 -4.663 25836
2500 1 11 . 1 1 4 4 VAL CB C 4 31.307 31.307 32.196 -0.888 25836
2501 1 11 . 1 1 4 4 VAL H H 4 8.113 8.113 8.419 -0.306 25836
2502 1 11 . 1 1 5 5 GLY N N 5 115.132 115.132 112.588 2.544 25836
2503 1 11 . 1 1 5 5 GLY CA C 5 44.133 44.133 44.882 -0.749 25836
2504 1 11 . 1 1 5 5 GLY H H 5 8.736 8.736 8.236 0.500 25836
2505 1 11 . 1 1 6 6 ASN N N 6 123.501 123.501 120.538 2.963 25836
2506 1 11 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.692 0.036 25836
2507 1 11 . 1 1 6 6 ASN CA C 6 50.698 50.698 54.050 -3.352 25836
2508 1 11 . 1 1 6 6 ASN CB C 6 36.797 36.797 39.346 -2.549 25836
2509 1 11 . 1 1 6 6 ASN H H 6 9.148 9.148 8.909 0.239 25836
2510 1 11 . 1 1 7 7 ASN N N 7 118.968 118.968 118.219 0.749 25836
2511 1 11 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.751 0.544 25836
2512 1 11 . 1 1 7 7 ASN CA C 7 51.671 51.671 54.475 -2.804 25836
2513 1 11 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.427 1.174 25836
2514 1 11 . 1 1 7 7 ASN H H 7 8.515 8.515 8.283 0.232 25836
2515 1 11 . 1 1 8 8 LYS N N 8 123.142 123.142 122.275 0.867 25836
2516 1 11 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.398 -0.589 25836
2517 1 11 . 1 1 8 8 LYS CA C 8 55.264 55.264 55.746 -0.482 25836
2518 1 11 . 1 1 8 8 LYS CB C 8 29.383 29.383 32.894 -3.511 25836
2519 1 11 . 1 1 8 8 LYS H H 8 9.294 9.294 8.380 0.914 25836
2520 1 11 . 1 1 9 9 CYS N N 9 111.161 111.161 119.223 -8.062 25836
2521 1 11 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.277 -0.207 25836
2522 1 11 . 1 1 9 9 CYS CA C 9 51.847 51.847 59.478 -7.631 25836
2523 1 11 . 1 1 9 9 CYS CB C 9 32.263 32.263 25.208 7.055 25836
2524 1 11 . 1 1 9 9 CYS H H 9 6.690 6.690 8.008 -1.318 25836
2525 1 11 . 1 1 10 10 TRP N N 10 119.159 119.159 125.167 -6.008 25836
2526 1 11 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.520 0.417 25836
2527 1 11 . 1 1 10 10 TRP CA C 10 53.032 53.032 57.013 -3.981 25836
2528 1 11 . 1 1 10 10 TRP CB C 10 26.379 26.379 31.353 -4.974 25836
2529 1 11 . 1 1 10 10 TRP H H 10 8.232 8.232 7.826 0.406 25836
2530 1 11 . 1 1 11 11 ALA N N 11 119.150 119.150 122.356 -3.206 25836
2531 1 11 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.352 -0.000 25836
2532 1 11 . 1 1 11 11 ALA CA C 11 49.381 49.381 51.341 -1.960 25836
2533 1 11 . 1 1 11 11 ALA CB C 11 17.253 17.253 19.533 -2.280 25836
2534 1 11 . 1 1 11 11 ALA H H 11 8.159 8.159 8.262 -0.103 25836
2535 1 11 . 1 1 12 12 ILE N N 12 121.974 121.974 124.190 -2.216 25836
2536 1 11 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.922 -0.323 25836
2537 1 11 . 1 1 12 12 ILE CA C 12 59.657 59.657 63.094 -3.437 25836
2538 1 11 . 1 1 12 12 ILE CB C 12 34.763 34.763 36.926 -2.163 25836
2539 1 11 . 1 1 12 12 ILE H H 12 8.448 8.448 8.797 -0.349 25836
2540 1 11 . 1 1 13 13 GLY N N 13 114.867 114.867 115.732 -0.865 25836
2541 1 11 . 1 1 13 13 GLY CA C 13 41.954 41.954 44.829 -2.875 25836
2542 1 11 . 1 1 13 13 GLY H H 13 9.649 9.649 8.962 0.687 25836
2543 1 11 . 1 1 14 14 THR N N 14 118.155 118.155 116.167 1.988 25836
2544 1 11 . 1 1 14 14 THR HA H 14 4.049 4.049 4.767 -0.718 25836
2545 1 11 . 1 1 14 14 THR CA C 14 61.464 61.464 61.146 0.318 25836
2546 1 11 . 1 1 14 14 THR CB C 14 67.426 67.426 70.605 -3.179 25836
2547 1 11 . 1 1 14 14 THR H H 14 8.076 8.076 8.000 0.076 25836
2548 1 11 . 1 1 15 15 THR N N 15 123.193 123.193 115.585 7.608 25836
2549 1 11 . 1 1 15 15 THR HA H 15 4.824 4.824 4.569 0.255 25836
2550 1 11 . 1 1 15 15 THR CA C 15 61.148 61.148 63.192 -2.044 25836
2551 1 11 . 1 1 15 15 THR CB C 15 66.798 66.798 69.903 -3.105 25836
2552 1 11 . 1 1 15 15 THR H H 15 8.498 8.498 8.388 0.110 25836
2553 1 11 . 1 1 16 16 CYS N N 16 119.932 119.932 121.439 -1.507 25836
2554 1 11 . 1 1 16 16 CYS HA H 16 5.510 5.510 4.439 1.071 25836
2555 1 11 . 1 1 16 16 CYS CA C 16 50.274 50.274 58.733 -8.459 25836
2556 1 11 . 1 1 16 16 CYS CB C 16 45.557 45.557 27.914 17.643 25836
2557 1 11 . 1 1 16 16 CYS H H 16 8.384 8.384 8.588 -0.204 25836
2558 1 11 . 1 1 17 17 SER N N 17 114.553 114.553 117.826 -3.273 25836
2559 1 11 . 1 1 17 17 SER HA H 17 4.676 4.676 4.388 0.288 25836
2560 1 11 . 1 1 17 17 SER CA C 17 56.391 56.391 58.363 -1.972 25836
2561 1 11 . 1 1 17 17 SER CB C 17 62.251 62.251 62.679 -0.428 25836
2562 1 11 . 1 1 17 17 SER H H 17 9.853 9.853 8.074 1.779 25836
2563 1 11 . 1 1 18 18 ASP N N 18 119.019 119.019 122.001 -2.982 25836
2564 1 11 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.218 0.412 25836
2565 1 11 . 1 1 18 18 ASP CA C 18 50.649 50.649 56.328 -5.678 25836
2566 1 11 . 1 1 18 18 ASP CB C 18 41.339 41.339 40.939 0.400 25836
2567 1 11 . 1 1 18 18 ASP H H 18 7.767 7.767 7.814 -0.047 25836
2568 1 11 . 1 1 19 19 ASP N N 19 121.627 121.627 118.010 3.617 25836
2569 1 11 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.242 0.004 25836
2570 1 11 . 1 1 19 19 ASP CA C 19 55.706 55.706 55.451 0.255 25836
2571 1 11 . 1 1 19 19 ASP CB C 19 37.099 37.099 39.646 -2.547 25836
2572 1 11 . 1 1 19 19 ASP H H 19 8.916 8.916 8.745 0.171 25836
2573 1 11 . 1 1 20 20 CYS N N 20 117.427 117.427 114.027 3.400 25836
2574 1 11 . 1 1 20 20 CYS HA H 20 4.689 4.689 4.015 0.674 25836
2575 1 11 . 1 1 20 20 CYS CA C 20 52.798 52.798 59.747 -6.949 25836
2576 1 11 . 1 1 20 20 CYS CB C 20 36.331 36.331 25.922 10.409 25836
2577 1 11 . 1 1 20 20 CYS H H 20 9.308 9.308 8.853 0.455 25836
2578 1 11 . 1 1 21 21 ASP N N 21 120.031 120.031 119.422 0.609 25836
2579 1 11 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.428 -0.700 25836
2580 1 11 . 1 1 21 21 ASP CA C 21 53.926 53.926 56.511 -2.585 25836
2581 1 11 . 1 1 21 21 ASP CB C 21 39.032 39.032 40.625 -1.593 25836
2582 1 11 . 1 1 21 21 ASP H H 21 7.897 7.897 8.153 -0.256 25836
2583 1 11 . 1 1 22 22 CYS N N 22 112.949 112.949 114.517 -1.568 25836
2584 1 11 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.715 0.559 25836
2585 1 11 . 1 1 22 22 CYS CA C 22 48.641 48.641 58.489 -9.848 25836
2586 1 11 . 1 1 22 22 CYS CB C 22 36.172 36.172 28.601 7.571 25836
2587 1 11 . 1 1 22 22 CYS H H 22 7.120 7.120 7.858 -0.738 25836
2588 1 11 . 1 1 23 23 CYS N N 23 124.612 124.612 124.266 0.346 25836
2589 1 11 . 1 1 23 23 CYS H H 23 11.256 11.256 8.786 2.470 25836
2590 1 11 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.320 -0.274 25836
2591 1 11 . 1 1 24 24 PRO CA C 24 63.522 63.522 64.982 -1.460 25836
2592 1 11 . 1 1 24 24 PRO CB C 24 37.298 37.298 32.083 5.215 25836
2593 1 11 . 1 1 25 25 GLU N N 25 114.549 114.549 114.841 -0.292 25836
2594 1 11 . 1 1 25 25 GLU HA H 25 4.355 4.355 4.408 -0.053 25836
2595 1 11 . 1 1 25 25 GLU CA C 25 54.444 54.444 55.394 -0.950 25836
2596 1 11 . 1 1 25 25 GLU CB C 25 25.751 25.751 28.896 -3.145 25836
2597 1 11 . 1 1 25 25 GLU H H 25 9.041 9.041 8.811 0.230 25836
2598 1 11 . 1 1 26 26 HIS N N 26 123.352 123.352 117.706 5.646 25836
2599 1 11 . 1 1 26 26 HIS HA H 26 5.408 5.408 5.325 0.083 25836
2600 1 11 . 1 1 26 26 HIS CA C 26 50.399 50.399 55.061 -4.662 25836
2601 1 11 . 1 1 26 26 HIS CB C 26 33.143 33.143 34.063 -0.920 25836
2602 1 11 . 1 1 26 26 HIS H H 26 8.118 8.118 7.597 0.521 25836
2603 1 11 . 1 1 27 27 HIS N N 27 112.923 112.923 114.829 -1.906 25836
2604 1 11 . 1 1 27 27 HIS HA H 27 4.644 4.644 4.924 -0.280 25836
2605 1 11 . 1 1 27 27 HIS CA C 27 52.622 52.622 54.661 -2.039 25836
2606 1 11 . 1 1 27 27 HIS CB C 27 28.231 28.231 31.914 -3.683 25836
2607 1 11 . 1 1 27 27 HIS H H 27 9.365 9.365 9.393 -0.028 25836
2608 1 11 . 1 1 28 28 CYS N N 28 121.103 121.103 120.995 0.108 25836
2609 1 11 . 1 1 28 28 CYS HA H 28 4.803 4.803 4.907 -0.104 25836
2610 1 11 . 1 1 28 28 CYS CA C 28 52.733 52.733 58.690 -5.957 25836
2611 1 11 . 1 1 28 28 CYS CB C 28 34.784 34.784 25.856 8.928 25836
2612 1 11 . 1 1 28 28 CYS H H 28 9.499 9.499 8.945 0.554 25836
2613 1 11 . 1 1 29 29 HIS N N 29 132.381 132.381 123.981 8.400 25836
2614 1 11 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.327 0.197 25836
2615 1 11 . 1 1 29 29 HIS CA C 29 53.855 53.855 55.728 -1.873 25836
2616 1 11 . 1 1 29 29 HIS CB C 29 28.973 28.973 31.025 -2.052 25836
2617 1 11 . 1 1 29 29 HIS H H 29 8.938 8.938 9.110 -0.172 25836
2618 1 11 . 1 1 30 30 CYS N N 30 127.165 127.165 127.819 -0.654 25836
2619 1 11 . 1 1 30 30 CYS HA H 30 5.146 5.146 4.866 0.280 25836
2620 1 11 . 1 1 30 30 CYS CA C 30 48.824 48.824 56.075 -7.251 25836
2621 1 11 . 1 1 30 30 CYS CB C 30 41.470 41.470 25.614 15.856 25836
2622 1 11 . 1 1 30 30 CYS H H 30 8.400 8.400 8.825 -0.425 25836
2623 1 11 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.161 0.115 25836
2624 1 11 . 1 1 31 31 PRO CA C 31 60.702 60.702 62.423 -1.721 25836
2625 1 11 . 1 1 31 31 PRO CB C 31 29.441 29.441 32.128 -2.687 25836
2626 1 11 . 1 1 32 32 ALA N N 32 122.630 122.630 120.049 2.581 25836
2627 1 11 . 1 1 32 32 ALA HA H 32 4.430 4.430 3.184 1.246 25836
2628 1 11 . 1 1 32 32 ALA CA C 32 49.453 49.453 50.769 -1.316 25836
2629 1 11 . 1 1 32 32 ALA CB C 32 16.936 16.936 20.314 -3.378 25836
2630 1 11 . 1 1 32 32 ALA H H 32 8.367 8.367 7.749 0.618 25836
2631 1 11 . 1 1 33 33 GLY N N 33 107.375 107.375 107.427 -0.052 25836
2632 1 11 . 1 1 33 33 GLY CA C 33 42.443 42.443 44.447 -2.003 25836
2633 1 11 . 1 1 33 33 GLY H H 33 8.097 8.097 8.217 -0.120 25836
2634 1 11 . 1 1 34 34 LYS N N 34 119.653 119.653 124.708 -5.055 25836
2635 1 11 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.059 0.255 25836
2636 1 11 . 1 1 34 34 LYS CA C 34 61.156 61.156 56.611 4.545 25836
2637 1 11 . 1 1 34 34 LYS CB C 34 30.378 30.378 33.211 -2.833 25836
2638 1 11 . 1 1 34 34 LYS H H 34 7.852 7.852 8.656 -0.804 25836
2639 1 11 . 1 1 35 35 TRP N N 35 122.428 122.428 122.652 -0.224 25836
2640 1 11 . 1 1 35 35 TRP CB C 35 27.248 27.248 28.978 -1.730 25836
2641 1 11 . 1 1 35 35 TRP H H 35 8.130 8.130 8.405 -0.275 25836
2642 1 11 . 1 1 36 36 LEU N N 36 125.209 125.209 122.819 2.390 25836
2643 1 11 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.881 0.668 25836
2644 1 11 . 1 1 36 36 LEU CA C 36 50.156 50.156 54.611 -4.455 25836
2645 1 11 . 1 1 36 36 LEU CB C 36 40.225 40.225 41.014 -0.789 25836
2646 1 11 . 1 1 36 36 LEU H H 36 7.460 7.460 8.086 -0.626 25836
2647 1 11 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.843 -0.542 25836
2648 1 11 . 1 1 37 37 PRO CA C 37 56.645 56.645 63.489 -6.844 25836
2649 1 11 . 1 1 38 38 GLY N N 38 109.686 109.686 111.840 -2.154 25836
2650 1 11 . 1 1 38 38 GLY CA C 38 42.884 42.884 45.162 -2.278 25836
2651 1 11 . 1 1 38 38 GLY H H 38 8.480 8.480 8.411 0.069 25836
2652 1 11 . 1 1 39 39 LEU N N 39 121.083 121.083 118.226 2.857 25836
2653 1 11 . 1 1 39 39 LEU HA H 39 4.360 4.360 4.315 0.045 25836
2654 1 11 . 1 1 39 39 LEU CA C 39 52.798 52.798 55.713 -2.915 25836
2655 1 11 . 1 1 39 39 LEU CB C 39 40.369 40.369 41.849 -1.480 25836
2656 1 11 . 1 1 39 39 LEU H H 39 7.847 7.847 7.397 0.450 25836
2657 1 11 . 1 1 40 40 PHE N N 40 118.886 118.886 117.919 0.967 25836
2658 1 11 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.310 0.264 25836
2659 1 11 . 1 1 40 40 PHE CA C 40 54.489 54.489 56.856 -2.367 25836
2660 1 11 . 1 1 40 40 PHE CB C 40 37.271 37.271 39.401 -2.130 25836
2661 1 11 . 1 1 40 40 PHE H H 40 7.868 7.868 7.350 0.518 25836
2662 1 11 . 1 1 41 41 ARG N N 41 121.171 121.171 122.015 -0.844 25836
2663 1 11 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.612 -0.196 25836
2664 1 11 . 1 1 41 41 ARG CA C 41 52.974 52.974 54.731 -1.757 25836
2665 1 11 . 1 1 41 41 ARG CB C 41 29.148 29.148 31.468 -2.320 25836
2666 1 11 . 1 1 41 41 ARG H H 41 7.888 7.888 8.361 -0.473 25836
2667 1 11 . 1 1 42 42 CYS N N 42 123.035 123.035 117.804 5.231 25836
2668 1 11 . 1 1 42 42 CYS HA H 42 5.446 5.446 5.426 0.020 25836
2669 1 11 . 1 1 42 42 CYS CA C 42 53.979 53.979 57.378 -3.399 25836
2670 1 11 . 1 1 42 42 CYS CB C 42 45.543 45.543 30.526 15.017 25836
2671 1 11 . 1 1 42 42 CYS H H 42 8.731 8.731 8.510 0.221 25836
2672 1 11 . 1 1 43 43 THR N N 43 111.223 111.223 112.321 -1.098 25836
2673 1 11 . 1 1 43 43 THR HA H 43 5.402 5.402 4.949 0.453 25836
2674 1 11 . 1 1 43 43 THR CA C 43 57.581 57.581 59.972 -2.391 25836
2675 1 11 . 1 1 43 43 THR CB C 43 71.715 71.715 71.027 0.688 25836
2676 1 11 . 1 1 43 43 THR H H 43 8.659 8.659 8.769 -0.110 25836
2677 1 11 . 1 1 44 44 CYS N N 44 120.754 120.754 123.777 -3.023 25836
2678 1 11 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.347 -0.018 25836
2679 1 11 . 1 1 44 44 CYS CA C 44 52.398 52.398 59.616 -7.218 25836
2680 1 11 . 1 1 44 44 CYS CB C 44 36.766 36.766 26.747 10.019 25836
2681 1 11 . 1 1 44 44 CYS H H 44 8.404 8.404 8.897 -0.493 25836
2682 1 11 . 1 1 45 45 GLN N N 45 121.589 121.589 124.681 -3.092 25836
2683 1 11 . 1 1 45 45 GLN HA H 45 4.695 4.695 5.003 -0.308 25836
2684 1 11 . 1 1 45 45 GLN CA C 45 51.495 51.495 53.490 -1.996 25836
2685 1 11 . 1 1 45 45 GLN CB C 45 31.136 31.136 32.978 -1.842 25836
2686 1 11 . 1 1 45 45 GLN H H 45 9.247 9.247 9.335 -0.088 25836
2687 1 11 . 1 1 46 46 VAL N N 46 119.594 119.594 120.230 -0.636 25836
2688 1 11 . 1 1 46 46 VAL HA H 46 4.149 4.149 2.650 1.499 25836
2689 1 11 . 1 1 46 46 VAL CA C 46 61.358 61.358 63.025 -1.667 25836
2690 1 11 . 1 1 46 46 VAL CB C 46 29.629 29.629 31.559 -1.930 25836
2691 1 11 . 1 1 46 46 VAL H H 46 8.703 8.703 8.491 0.212 25836
2692 1 11 . 1 1 47 47 THR N N 47 118.278 118.278 119.225 -0.947 25836
2693 1 11 . 1 1 47 47 THR HA H 47 4.169 4.169 4.302 -0.133 25836
2694 1 11 . 1 1 47 47 THR CA C 47 59.491 59.491 60.995 -1.504 25836
2695 1 11 . 1 1 47 47 THR CB C 47 66.789 66.789 70.837 -4.048 25836
2696 1 11 . 1 1 47 47 THR H H 47 8.002 8.002 8.275 -0.273 25836
2697 1 11 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.394 0.068 25836
2698 1 11 . 1 1 49 49 SER N N 49 114.478 114.478 115.799 -1.321 25836
2699 1 11 . 1 1 49 49 SER HA H 49 4.291 4.291 4.395 -0.104 25836
2700 1 11 . 1 1 49 49 SER CA C 49 51.081 51.081 57.873 -6.792 25836
2701 1 11 . 1 1 49 49 SER CB C 49 60.846 60.846 63.863 -3.017 25836
2702 1 11 . 1 1 49 49 SER H H 49 8.304 8.304 7.716 0.588 25836
2703 1 11 . 1 1 50 50 ASP N N 50 118.750 118.750 119.563 -0.813 25836
2704 1 11 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.649 -0.068 25836
2705 1 11 . 1 1 50 50 ASP CA C 50 51.426 51.426 54.567 -3.141 25836
2706 1 11 . 1 1 50 50 ASP CB C 50 37.727 37.727 40.922 -3.195 25836
2707 1 11 . 1 1 50 50 ASP H H 50 8.469 8.469 8.617 -0.148 25836
2708 1 11 . 1 1 51 51 LYS N N 51 120.789 120.789 119.091 1.698 25836
2709 1 11 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.446 0.013 25836
2710 1 11 . 1 1 51 51 LYS CA C 51 52.869 52.869 55.503 -2.634 25836
2711 1 11 . 1 1 51 51 LYS CB C 51 26.190 26.190 32.466 -6.276 25836
2712 1 11 . 1 1 51 51 LYS H H 51 7.824 7.824 7.908 -0.084 25836
2713 1 11 . 1 1 52 52 VAL N N 52 116.071 116.071 115.685 0.386 25836
2714 1 11 . 1 1 52 52 VAL HA H 52 4.303 4.303 3.877 0.426 25836
2715 1 11 . 1 1 52 52 VAL CA C 52 57.941 57.941 61.387 -3.446 25836
2716 1 11 . 1 1 52 52 VAL CB C 52 31.464 31.464 32.569 -1.105 25836
2717 1 11 . 1 1 52 52 VAL H H 52 7.653 7.653 7.216 0.437 25836
2718 1 11 . 1 1 53 53 ASN N N 53 123.498 123.498 118.942 4.556 25836
2719 1 11 . 1 1 53 53 ASN HA H 53 4.374 4.374 4.618 -0.244 25836
2720 1 11 . 1 1 53 53 ASN CA C 53 52.763 52.763 53.617 -0.854 25836
2721 1 11 . 1 1 53 53 ASN CB C 53 37.419 37.419 38.453 -1.034 25836
2722 1 11 . 1 1 53 53 ASN H H 53 8.495 8.495 8.184 0.311 25836
2723 1 11 . 1 1 54 54 LYS N N 54 127.289 127.289 122.696 4.593 25836
2724 1 11 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.092 0.252 25836
2725 1 11 . 1 1 54 54 LYS CA C 54 53.397 53.397 57.882 -4.484 25836
2726 1 11 . 1 1 54 54 LYS CB C 54 29.422 29.422 32.278 -2.856 25836
2727 1 11 . 1 1 54 54 LYS H H 54 10.155 10.155 8.508 1.647 25836
2728 1 11 . 1 1 55 55 CYS N N 55 124.019 124.019 120.178 3.841 25836
2729 1 11 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.359 0.330 25836
2730 1 11 . 1 1 55 55 CYS CA C 55 52.235 52.235 58.059 -5.824 25836
2731 1 11 . 1 1 55 55 CYS CB C 55 40.134 40.134 26.810 13.324 25836
2732 1 11 . 1 1 55 55 CYS H H 55 8.698 8.698 7.780 0.918 25836
2733 1 11 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.357 0.232 25836
2734 1 11 . 1 1 57 57 PRO CB C 57 29.744 29.744 32.123 -2.379 25836
2735 1 11 . 1 1 58 58 ALA N N 58 123.825 123.825 121.535 2.290 25836
2736 1 11 . 1 1 58 58 ALA HA H 58 4.351 4.351 4.598 -0.247 25836
2737 1 11 . 1 1 58 58 ALA CA C 58 49.557 49.557 51.706 -2.150 25836
2738 1 11 . 1 1 58 58 ALA CB C 58 16.910 16.910 19.498 -2.588 25836
2739 1 11 . 1 1 58 58 ALA H H 58 8.426 8.426 8.308 0.118 25836
2740 1 12 . 1 1 2 2 THR N N 2 112.683 112.683 115.556 -2.873 25836
2741 1 12 . 1 1 2 2 THR HA H 2 4.483 4.483 4.881 -0.398 25836
2742 1 12 . 1 1 2 2 THR H H 2 8.031 8.031 8.616 -0.585 25836
2743 1 12 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.671 -0.359 25836
2744 1 12 . 1 1 3 3 PRO CA C 3 51.149 51.149 62.585 -11.436 25836
2745 1 12 . 1 1 3 3 PRO CB C 3 29.323 29.323 32.446 -3.123 25836
2746 1 12 . 1 1 4 4 VAL N N 4 120.622 120.622 117.048 3.574 25836
2747 1 12 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.436 -0.166 25836
2748 1 12 . 1 1 4 4 VAL CA C 4 58.505 58.505 61.573 -3.068 25836
2749 1 12 . 1 1 4 4 VAL CB C 4 31.307 31.307 32.961 -1.654 25836
2750 1 12 . 1 1 4 4 VAL H H 4 8.113 8.113 7.964 0.149 25836
2751 1 12 . 1 1 5 5 GLY N N 5 115.132 115.132 111.309 3.823 25836
2752 1 12 . 1 1 5 5 GLY CA C 5 44.133 44.133 44.870 -0.737 25836
2753 1 12 . 1 1 5 5 GLY H H 5 8.736 8.736 8.678 0.058 25836
2754 1 12 . 1 1 6 6 ASN N N 6 123.501 123.501 118.574 4.927 25836
2755 1 12 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.659 0.069 25836
2756 1 12 . 1 1 6 6 ASN CA C 6 50.698 50.698 53.105 -2.407 25836
2757 1 12 . 1 1 6 6 ASN CB C 6 36.797 36.797 39.662 -2.865 25836
2758 1 12 . 1 1 6 6 ASN H H 6 9.148 9.148 8.650 0.498 25836
2759 1 12 . 1 1 7 7 ASN N N 7 118.968 118.968 118.774 0.194 25836
2760 1 12 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.763 0.532 25836
2761 1 12 . 1 1 7 7 ASN CA C 7 51.671 51.671 54.040 -2.369 25836
2762 1 12 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.154 1.447 25836
2763 1 12 . 1 1 7 7 ASN H H 7 8.515 8.515 8.378 0.137 25836
2764 1 12 . 1 1 8 8 LYS N N 8 123.142 123.142 122.014 1.128 25836
2765 1 12 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.255 -0.446 25836
2766 1 12 . 1 1 8 8 LYS CA C 8 55.264 55.264 57.150 -1.886 25836
2767 1 12 . 1 1 8 8 LYS CB C 8 29.383 29.383 32.888 -3.505 25836
2768 1 12 . 1 1 8 8 LYS H H 8 9.294 9.294 8.637 0.657 25836
2769 1 12 . 1 1 9 9 CYS N N 9 111.161 111.161 117.491 -6.330 25836
2770 1 12 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.167 -0.097 25836
2771 1 12 . 1 1 9 9 CYS CA C 9 51.847 51.847 59.375 -7.528 25836
2772 1 12 . 1 1 9 9 CYS CB C 9 32.263 32.263 24.305 7.958 25836
2773 1 12 . 1 1 9 9 CYS H H 9 6.690 6.690 7.989 -1.299 25836
2774 1 12 . 1 1 10 10 TRP N N 10 119.159 119.159 123.986 -4.827 25836
2775 1 12 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.460 0.477 25836
2776 1 12 . 1 1 10 10 TRP CA C 10 53.032 53.032 58.172 -5.140 25836
2777 1 12 . 1 1 10 10 TRP CB C 10 26.379 26.379 30.314 -3.936 25836
2778 1 12 . 1 1 10 10 TRP H H 10 8.232 8.232 7.975 0.257 25836
2779 1 12 . 1 1 11 11 ALA N N 11 119.150 119.150 125.213 -6.063 25836
2780 1 12 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.118 0.234 25836
2781 1 12 . 1 1 11 11 ALA CA C 11 49.381 49.381 52.289 -2.908 25836
2782 1 12 . 1 1 11 11 ALA CB C 11 17.253 17.253 19.309 -2.057 25836
2783 1 12 . 1 1 11 11 ALA H H 11 8.159 8.159 8.190 -0.031 25836
2784 1 12 . 1 1 12 12 ILE N N 12 121.974 121.974 122.506 -0.532 25836
2785 1 12 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.695 -0.096 25836
2786 1 12 . 1 1 12 12 ILE CA C 12 59.657 59.657 63.138 -3.481 25836
2787 1 12 . 1 1 12 12 ILE CB C 12 34.763 34.763 36.901 -2.138 25836
2788 1 12 . 1 1 12 12 ILE H H 12 8.448 8.448 8.498 -0.050 25836
2789 1 12 . 1 1 13 13 GLY N N 13 114.867 114.867 115.670 -0.803 25836
2790 1 12 . 1 1 13 13 GLY CA C 13 41.954 41.954 44.778 -2.824 25836
2791 1 12 . 1 1 13 13 GLY H H 13 9.649 9.649 8.793 0.856 25836
2792 1 12 . 1 1 14 14 THR N N 14 118.155 118.155 116.821 1.334 25836
2793 1 12 . 1 1 14 14 THR HA H 14 4.049 4.049 4.731 -0.682 25836
2794 1 12 . 1 1 14 14 THR CA C 14 61.464 61.464 60.985 0.479 25836
2795 1 12 . 1 1 14 14 THR CB C 14 67.426 67.426 69.836 -2.410 25836
2796 1 12 . 1 1 14 14 THR H H 14 8.076 8.076 8.000 0.076 25836
2797 1 12 . 1 1 15 15 THR N N 15 123.193 123.193 117.866 5.327 25836
2798 1 12 . 1 1 15 15 THR HA H 15 4.824 4.824 4.469 0.355 25836
2799 1 12 . 1 1 15 15 THR CA C 15 61.148 61.148 63.495 -2.347 25836
2800 1 12 . 1 1 15 15 THR CB C 15 66.798 66.798 69.595 -2.797 25836
2801 1 12 . 1 1 15 15 THR H H 15 8.498 8.498 8.454 0.044 25836
2802 1 12 . 1 1 16 16 CYS N N 16 119.932 119.932 121.917 -1.985 25836
2803 1 12 . 1 1 16 16 CYS HA H 16 5.510 5.510 4.636 0.874 25836
2804 1 12 . 1 1 16 16 CYS CA C 16 50.274 50.274 57.029 -6.755 25836
2805 1 12 . 1 1 16 16 CYS CB C 16 45.557 45.557 29.413 16.144 25836
2806 1 12 . 1 1 16 16 CYS H H 16 8.384 8.384 8.581 -0.197 25836
2807 1 12 . 1 1 17 17 SER N N 17 114.553 114.553 115.084 -0.531 25836
2808 1 12 . 1 1 17 17 SER HA H 17 4.676 4.676 4.497 0.179 25836
2809 1 12 . 1 1 17 17 SER CA C 17 56.391 56.391 57.800 -1.409 25836
2810 1 12 . 1 1 17 17 SER CB C 17 62.251 62.251 63.577 -1.326 25836
2811 1 12 . 1 1 17 17 SER H H 17 9.853 9.853 8.365 1.488 25836
2812 1 12 . 1 1 18 18 ASP N N 18 119.019 119.019 121.931 -2.912 25836
2813 1 12 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.163 0.467 25836
2814 1 12 . 1 1 18 18 ASP CA C 18 50.649 50.649 55.818 -5.169 25836
2815 1 12 . 1 1 18 18 ASP CB C 18 41.339 41.339 40.060 1.279 25836
2816 1 12 . 1 1 18 18 ASP H H 18 7.767 7.767 8.013 -0.246 25836
2817 1 12 . 1 1 19 19 ASP N N 19 121.627 121.627 119.940 1.687 25836
2818 1 12 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.181 0.065 25836
2819 1 12 . 1 1 19 19 ASP CA C 19 55.706 55.706 55.307 0.399 25836
2820 1 12 . 1 1 19 19 ASP CB C 19 37.099 37.099 40.168 -3.069 25836
2821 1 12 . 1 1 19 19 ASP H H 19 8.916 8.916 8.779 0.137 25836
2822 1 12 . 1 1 20 20 CYS N N 20 117.427 117.427 115.253 2.174 25836
2823 1 12 . 1 1 20 20 CYS HA H 20 4.689 4.689 4.088 0.601 25836
2824 1 12 . 1 1 20 20 CYS CA C 20 52.798 52.798 59.750 -6.952 25836
2825 1 12 . 1 1 20 20 CYS CB C 20 36.331 36.331 25.489 10.842 25836
2826 1 12 . 1 1 20 20 CYS H H 20 9.308 9.308 8.727 0.581 25836
2827 1 12 . 1 1 21 21 ASP N N 21 120.031 120.031 120.505 -0.474 25836
2828 1 12 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.271 -0.543 25836
2829 1 12 . 1 1 21 21 ASP CA C 21 53.926 53.926 57.459 -3.533 25836
2830 1 12 . 1 1 21 21 ASP CB C 21 39.032 39.032 41.050 -2.018 25836
2831 1 12 . 1 1 21 21 ASP H H 21 7.897 7.897 8.139 -0.242 25836
2832 1 12 . 1 1 22 22 CYS N N 22 112.949 112.949 115.958 -3.009 25836
2833 1 12 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.785 0.489 25836
2834 1 12 . 1 1 22 22 CYS CA C 22 48.641 48.641 58.136 -9.495 25836
2835 1 12 . 1 1 22 22 CYS CB C 22 36.172 36.172 29.171 7.001 25836
2836 1 12 . 1 1 22 22 CYS H H 22 7.120 7.120 7.900 -0.780 25836
2837 1 12 . 1 1 23 23 CYS N N 23 124.612 124.612 121.178 3.434 25836
2838 1 12 . 1 1 23 23 CYS H H 23 11.256 11.256 8.773 2.483 25836
2839 1 12 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.350 -0.304 25836
2840 1 12 . 1 1 24 24 PRO CA C 24 63.522 63.522 64.939 -1.417 25836
2841 1 12 . 1 1 24 24 PRO CB C 24 37.298 37.298 32.255 5.043 25836
2842 1 12 . 1 1 25 25 GLU N N 25 114.549 114.549 115.544 -0.995 25836
2843 1 12 . 1 1 25 25 GLU HA H 25 4.355 4.355 4.200 0.155 25836
2844 1 12 . 1 1 25 25 GLU CA C 25 54.444 54.444 58.032 -3.588 25836
2845 1 12 . 1 1 25 25 GLU CB C 25 25.751 25.751 29.864 -4.113 25836
2846 1 12 . 1 1 25 25 GLU H H 25 9.041 9.041 8.720 0.321 25836
2847 1 12 . 1 1 26 26 HIS N N 26 123.352 123.352 116.010 7.342 25836
2848 1 12 . 1 1 26 26 HIS HA H 26 5.408 5.408 4.926 0.481 25836
2849 1 12 . 1 1 26 26 HIS CA C 26 50.399 50.399 56.380 -5.981 25836
2850 1 12 . 1 1 26 26 HIS CB C 26 33.143 33.143 32.059 1.084 25836
2851 1 12 . 1 1 26 26 HIS H H 26 8.118 8.118 7.803 0.315 25836
2852 1 12 . 1 1 27 27 HIS N N 27 112.923 112.923 115.617 -2.694 25836
2853 1 12 . 1 1 27 27 HIS HA H 27 4.644 4.644 4.839 -0.195 25836
2854 1 12 . 1 1 27 27 HIS CA C 27 52.622 52.622 55.992 -3.370 25836
2855 1 12 . 1 1 27 27 HIS CB C 27 28.231 28.231 33.164 -4.933 25836
2856 1 12 . 1 1 27 27 HIS H H 27 9.365 9.365 8.709 0.656 25836
2857 1 12 . 1 1 28 28 CYS N N 28 121.103 121.103 120.795 0.308 25836
2858 1 12 . 1 1 28 28 CYS HA H 28 4.803 4.803 4.658 0.145 25836
2859 1 12 . 1 1 28 28 CYS CA C 28 52.733 52.733 58.164 -5.431 25836
2860 1 12 . 1 1 28 28 CYS CB C 28 34.784 34.784 26.098 8.687 25836
2861 1 12 . 1 1 28 28 CYS H H 28 9.499 9.499 7.917 1.582 25836
2862 1 12 . 1 1 29 29 HIS N N 29 132.381 132.381 124.270 8.111 25836
2863 1 12 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.571 -0.047 25836
2864 1 12 . 1 1 29 29 HIS CA C 29 53.855 53.855 56.692 -2.837 25836
2865 1 12 . 1 1 29 29 HIS CB C 29 28.973 28.973 31.715 -2.742 25836
2866 1 12 . 1 1 29 29 HIS H H 29 8.938 8.938 9.044 -0.106 25836
2867 1 12 . 1 1 30 30 CYS N N 30 127.165 127.165 126.766 0.399 25836
2868 1 12 . 1 1 30 30 CYS HA H 30 5.146 5.146 4.649 0.497 25836
2869 1 12 . 1 1 30 30 CYS CA C 30 48.824 48.824 56.280 -7.456 25836
2870 1 12 . 1 1 30 30 CYS CB C 30 41.470 41.470 27.465 14.005 25836
2871 1 12 . 1 1 30 30 CYS H H 30 8.400 8.400 8.647 -0.247 25836
2872 1 12 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.439 -0.163 25836
2873 1 12 . 1 1 31 31 PRO CA C 31 60.702 60.702 62.470 -1.768 25836
2874 1 12 . 1 1 31 31 PRO CB C 31 29.441 29.441 32.071 -2.630 25836
2875 1 12 . 1 1 32 32 ALA N N 32 122.630 122.630 120.749 1.881 25836
2876 1 12 . 1 1 32 32 ALA HA H 32 4.430 4.430 4.548 -0.118 25836
2877 1 12 . 1 1 32 32 ALA CA C 32 49.453 49.453 51.563 -2.110 25836
2878 1 12 . 1 1 32 32 ALA CB C 32 16.936 16.936 20.262 -3.326 25836
2879 1 12 . 1 1 32 32 ALA H H 32 8.367 8.367 8.054 0.313 25836
2880 1 12 . 1 1 33 33 GLY N N 33 107.375 107.375 108.375 -1.000 25836
2881 1 12 . 1 1 33 33 GLY CA C 33 42.443 42.443 44.340 -1.897 25836
2882 1 12 . 1 1 33 33 GLY H H 33 8.097 8.097 8.229 -0.132 25836
2883 1 12 . 1 1 34 34 LYS N N 34 119.653 119.653 123.353 -3.700 25836
2884 1 12 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.038 0.276 25836
2885 1 12 . 1 1 34 34 LYS CA C 34 61.156 61.156 57.041 4.115 25836
2886 1 12 . 1 1 34 34 LYS CB C 34 30.378 30.378 33.020 -2.643 25836
2887 1 12 . 1 1 34 34 LYS H H 34 7.852 7.852 8.668 -0.816 25836
2888 1 12 . 1 1 35 35 TRP N N 35 122.428 122.428 122.610 -0.182 25836
2889 1 12 . 1 1 35 35 TRP CB C 35 27.248 27.248 29.060 -1.812 25836
2890 1 12 . 1 1 35 35 TRP H H 35 8.130 8.130 8.411 -0.281 25836
2891 1 12 . 1 1 36 36 LEU N N 36 125.209 125.209 122.243 2.966 25836
2892 1 12 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.829 0.720 25836
2893 1 12 . 1 1 36 36 LEU CA C 36 50.156 50.156 54.421 -4.265 25836
2894 1 12 . 1 1 36 36 LEU CB C 36 40.225 40.225 39.929 0.296 25836
2895 1 12 . 1 1 36 36 LEU H H 36 7.460 7.460 8.122 -0.662 25836
2896 1 12 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.506 -0.205 25836
2897 1 12 . 1 1 37 37 PRO CA C 37 56.645 56.645 62.523 -5.878 25836
2898 1 12 . 1 1 38 38 GLY N N 38 109.686 109.686 108.932 0.754 25836
2899 1 12 . 1 1 38 38 GLY CA C 38 42.884 42.884 46.163 -3.279 25836
2900 1 12 . 1 1 38 38 GLY H H 38 8.480 8.480 8.576 -0.097 25836
2901 1 12 . 1 1 39 39 LEU N N 39 121.083 121.083 119.162 1.921 25836
2902 1 12 . 1 1 39 39 LEU HA H 39 4.360 4.360 4.078 0.282 25836
2903 1 12 . 1 1 39 39 LEU CA C 39 52.798 52.798 56.173 -3.375 25836
2904 1 12 . 1 1 39 39 LEU CB C 39 40.369 40.369 41.619 -1.250 25836
2905 1 12 . 1 1 39 39 LEU H H 39 7.847 7.847 7.826 0.021 25836
2906 1 12 . 1 1 40 40 PHE N N 40 118.886 118.886 116.999 1.887 25836
2907 1 12 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.650 -0.076 25836
2908 1 12 . 1 1 40 40 PHE CA C 40 54.489 54.489 57.349 -2.860 25836
2909 1 12 . 1 1 40 40 PHE CB C 40 37.271 37.271 39.003 -1.732 25836
2910 1 12 . 1 1 40 40 PHE H H 40 7.868 7.868 7.569 0.299 25836
2911 1 12 . 1 1 41 41 ARG N N 41 121.171 121.171 120.074 1.097 25836
2912 1 12 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.584 -0.168 25836
2913 1 12 . 1 1 41 41 ARG CA C 41 52.974 52.974 55.361 -2.386 25836
2914 1 12 . 1 1 41 41 ARG CB C 41 29.148 29.148 31.459 -2.311 25836
2915 1 12 . 1 1 41 41 ARG H H 41 7.888 7.888 8.506 -0.618 25836
2916 1 12 . 1 1 42 42 CYS N N 42 123.035 123.035 117.855 5.180 25836
2917 1 12 . 1 1 42 42 CYS HA H 42 5.446 5.446 4.872 0.574 25836
2918 1 12 . 1 1 42 42 CYS CA C 42 53.979 53.979 57.973 -3.994 25836
2919 1 12 . 1 1 42 42 CYS CB C 42 45.543 45.543 28.501 17.042 25836
2920 1 12 . 1 1 42 42 CYS H H 42 8.731 8.731 8.418 0.313 25836
2921 1 12 . 1 1 43 43 THR N N 43 111.223 111.223 109.958 1.265 25836
2922 1 12 . 1 1 43 43 THR HA H 43 5.402 5.402 4.931 0.471 25836
2923 1 12 . 1 1 43 43 THR CA C 43 57.581 57.581 60.418 -2.837 25836
2924 1 12 . 1 1 43 43 THR CB C 43 71.715 71.715 71.449 0.266 25836
2925 1 12 . 1 1 43 43 THR H H 43 8.659 8.659 8.671 -0.012 25836
2926 1 12 . 1 1 44 44 CYS N N 44 120.754 120.754 123.917 -3.163 25836
2927 1 12 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.265 0.064 25836
2928 1 12 . 1 1 44 44 CYS CA C 44 52.398 52.398 58.643 -6.245 25836
2929 1 12 . 1 1 44 44 CYS CB C 44 36.766 36.766 27.584 9.182 25836
2930 1 12 . 1 1 44 44 CYS H H 44 8.404 8.404 8.877 -0.473 25836
2931 1 12 . 1 1 45 45 GLN N N 45 121.589 121.589 125.841 -4.252 25836
2932 1 12 . 1 1 45 45 GLN HA H 45 4.695 4.695 4.712 -0.017 25836
2933 1 12 . 1 1 45 45 GLN CA C 45 51.495 51.495 53.857 -2.362 25836
2934 1 12 . 1 1 45 45 GLN CB C 45 31.136 31.136 33.112 -1.976 25836
2935 1 12 . 1 1 45 45 GLN H H 45 9.247 9.247 8.921 0.326 25836
2936 1 12 . 1 1 46 46 VAL N N 46 119.594 119.594 122.015 -2.421 25836
2937 1 12 . 1 1 46 46 VAL HA H 46 4.149 4.149 3.332 0.817 25836
2938 1 12 . 1 1 46 46 VAL CA C 46 61.358 61.358 62.851 -1.493 25836
2939 1 12 . 1 1 46 46 VAL CB C 46 29.629 29.629 32.247 -2.618 25836
2940 1 12 . 1 1 46 46 VAL H H 46 8.703 8.703 8.700 0.003 25836
2941 1 12 . 1 1 47 47 THR N N 47 118.278 118.278 122.316 -4.038 25836
2942 1 12 . 1 1 47 47 THR HA H 47 4.169 4.169 4.604 -0.435 25836
2943 1 12 . 1 1 47 47 THR CA C 47 59.491 59.491 60.786 -1.295 25836
2944 1 12 . 1 1 47 47 THR CB C 47 66.789 66.789 71.186 -4.397 25836
2945 1 12 . 1 1 47 47 THR H H 47 8.002 8.002 8.041 -0.039 25836
2946 1 12 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.218 0.244 25836
2947 1 12 . 1 1 49 49 SER N N 49 114.478 114.478 116.802 -2.324 25836
2948 1 12 . 1 1 49 49 SER HA H 49 4.291 4.291 4.367 -0.076 25836
2949 1 12 . 1 1 49 49 SER CA C 49 51.081 51.081 58.909 -7.828 25836
2950 1 12 . 1 1 49 49 SER CB C 49 60.846 60.846 63.742 -2.896 25836
2951 1 12 . 1 1 49 49 SER H H 49 8.304 8.304 7.738 0.566 25836
2952 1 12 . 1 1 50 50 ASP N N 50 118.750 118.750 121.610 -2.860 25836
2953 1 12 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.712 -0.131 25836
2954 1 12 . 1 1 50 50 ASP CA C 50 51.426 51.426 54.261 -2.835 25836
2955 1 12 . 1 1 50 50 ASP CB C 50 37.727 37.727 40.606 -2.879 25836
2956 1 12 . 1 1 50 50 ASP H H 50 8.469 8.469 8.682 -0.213 25836
2957 1 12 . 1 1 51 51 LYS N N 51 120.789 120.789 119.047 1.742 25836
2958 1 12 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.442 0.017 25836
2959 1 12 . 1 1 51 51 LYS CA C 51 52.869 52.869 55.576 -2.707 25836
2960 1 12 . 1 1 51 51 LYS CB C 51 26.190 26.190 32.685 -6.495 25836
2961 1 12 . 1 1 51 51 LYS H H 51 7.824 7.824 7.960 -0.136 25836
2962 1 12 . 1 1 52 52 VAL N N 52 116.071 116.071 120.114 -4.043 25836
2963 1 12 . 1 1 52 52 VAL HA H 52 4.303 4.303 4.002 0.301 25836
2964 1 12 . 1 1 52 52 VAL CA C 52 57.941 57.941 61.392 -3.451 25836
2965 1 12 . 1 1 52 52 VAL CB C 52 31.464 31.464 32.533 -1.069 25836
2966 1 12 . 1 1 52 52 VAL H H 52 7.653 7.653 7.858 -0.205 25836
2967 1 12 . 1 1 53 53 ASN N N 53 123.498 123.498 118.612 4.886 25836
2968 1 12 . 1 1 53 53 ASN HA H 53 4.374 4.374 4.665 -0.291 25836
2969 1 12 . 1 1 53 53 ASN CA C 53 52.763 52.763 53.956 -1.193 25836
2970 1 12 . 1 1 53 53 ASN CB C 53 37.419 37.419 38.947 -1.528 25836
2971 1 12 . 1 1 53 53 ASN H H 53 8.495 8.495 8.126 0.369 25836
2972 1 12 . 1 1 54 54 LYS N N 54 127.289 127.289 121.396 5.893 25836
2973 1 12 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.095 0.249 25836
2974 1 12 . 1 1 54 54 LYS CA C 54 53.397 53.397 58.516 -5.119 25836
2975 1 12 . 1 1 54 54 LYS CB C 54 29.422 29.422 32.505 -3.083 25836
2976 1 12 . 1 1 54 54 LYS H H 54 10.155 10.155 8.503 1.652 25836
2977 1 12 . 1 1 55 55 CYS N N 55 124.019 124.019 119.892 4.127 25836
2978 1 12 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.576 0.113 25836
2979 1 12 . 1 1 55 55 CYS CA C 55 52.235 52.235 57.859 -5.624 25836
2980 1 12 . 1 1 55 55 CYS CB C 55 40.134 40.134 26.823 13.311 25836
2981 1 12 . 1 1 55 55 CYS H H 55 8.698 8.698 8.598 0.100 25836
2982 1 12 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.397 0.192 25836
2983 1 12 . 1 1 57 57 PRO CB C 57 29.744 29.744 32.516 -2.772 25836
2984 1 12 . 1 1 58 58 ALA N N 58 123.825 123.825 120.197 3.628 25836
2985 1 12 . 1 1 58 58 ALA HA H 58 4.351 4.351 4.447 -0.096 25836
2986 1 12 . 1 1 58 58 ALA CA C 58 49.557 49.557 52.452 -2.895 25836
2987 1 12 . 1 1 58 58 ALA CB C 58 16.910 16.910 20.456 -3.546 25836
2988 1 12 . 1 1 58 58 ALA H H 58 8.426 8.426 8.081 0.345 25836
2989 1 13 . 1 1 2 2 THR N N 2 112.683 112.683 115.604 -2.921 25836
2990 1 13 . 1 1 2 2 THR HA H 2 4.483 4.483 5.037 -0.554 25836
2991 1 13 . 1 1 2 2 THR H H 2 8.031 8.031 8.552 -0.521 25836
2992 1 13 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.536 -0.224 25836
2993 1 13 . 1 1 3 3 PRO CA C 3 51.149 51.149 62.705 -11.556 25836
2994 1 13 . 1 1 3 3 PRO CB C 3 29.323 29.323 32.511 -3.188 25836
2995 1 13 . 1 1 4 4 VAL N N 4 120.622 120.622 119.593 1.029 25836
2996 1 13 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.271 -0.001 25836
2997 1 13 . 1 1 4 4 VAL CA C 4 58.505 58.505 61.557 -3.052 25836
2998 1 13 . 1 1 4 4 VAL CB C 4 31.307 31.307 32.728 -1.421 25836
2999 1 13 . 1 1 4 4 VAL H H 4 8.113 8.113 8.300 -0.187 25836
3000 1 13 . 1 1 5 5 GLY N N 5 115.132 115.132 114.810 0.322 25836
3001 1 13 . 1 1 5 5 GLY CA C 5 44.133 44.133 44.863 -0.730 25836
3002 1 13 . 1 1 5 5 GLY H H 5 8.736 8.736 8.659 0.077 25836
3003 1 13 . 1 1 6 6 ASN N N 6 123.501 123.501 118.363 5.138 25836
3004 1 13 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.665 0.063 25836
3005 1 13 . 1 1 6 6 ASN CA C 6 50.698 50.698 53.961 -3.263 25836
3006 1 13 . 1 1 6 6 ASN CB C 6 36.797 36.797 39.550 -2.753 25836
3007 1 13 . 1 1 6 6 ASN H H 6 9.148 9.148 8.581 0.567 25836
3008 1 13 . 1 1 7 7 ASN N N 7 118.968 118.968 117.883 1.085 25836
3009 1 13 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.719 0.576 25836
3010 1 13 . 1 1 7 7 ASN CA C 7 51.671 51.671 54.007 -2.336 25836
3011 1 13 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.484 1.117 25836
3012 1 13 . 1 1 7 7 ASN H H 7 8.515 8.515 8.153 0.362 25836
3013 1 13 . 1 1 8 8 LYS N N 8 123.142 123.142 120.186 2.956 25836
3014 1 13 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.172 -0.363 25836
3015 1 13 . 1 1 8 8 LYS CA C 8 55.264 55.264 55.993 -0.729 25836
3016 1 13 . 1 1 8 8 LYS CB C 8 29.383 29.383 32.410 -3.027 25836
3017 1 13 . 1 1 8 8 LYS H H 8 9.294 9.294 8.171 1.123 25836
3018 1 13 . 1 1 9 9 CYS N N 9 111.161 111.161 119.351 -8.190 25836
3019 1 13 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.249 -0.179 25836
3020 1 13 . 1 1 9 9 CYS CA C 9 51.847 51.847 58.883 -7.036 25836
3021 1 13 . 1 1 9 9 CYS CB C 9 32.263 32.263 25.451 6.812 25836
3022 1 13 . 1 1 9 9 CYS H H 9 6.690 6.690 7.851 -1.161 25836
3023 1 13 . 1 1 10 10 TRP N N 10 119.159 119.159 125.347 -6.188 25836
3024 1 13 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.510 0.427 25836
3025 1 13 . 1 1 10 10 TRP CA C 10 53.032 53.032 56.439 -3.407 25836
3026 1 13 . 1 1 10 10 TRP CB C 10 26.379 26.379 30.604 -4.225 25836
3027 1 13 . 1 1 10 10 TRP H H 10 8.232 8.232 8.109 0.123 25836
3028 1 13 . 1 1 11 11 ALA N N 11 119.150 119.150 122.728 -3.578 25836
3029 1 13 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.457 -0.105 25836
3030 1 13 . 1 1 11 11 ALA CA C 11 49.381 49.381 51.542 -2.161 25836
3031 1 13 . 1 1 11 11 ALA CB C 11 17.253 17.253 19.608 -2.355 25836
3032 1 13 . 1 1 11 11 ALA H H 11 8.159 8.159 8.847 -0.688 25836
3033 1 13 . 1 1 12 12 ILE N N 12 121.974 121.974 124.145 -2.171 25836
3034 1 13 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.731 -0.132 25836
3035 1 13 . 1 1 12 12 ILE CA C 12 59.657 59.657 61.628 -1.971 25836
3036 1 13 . 1 1 12 12 ILE CB C 12 34.763 34.763 35.257 -0.494 25836
3037 1 13 . 1 1 12 12 ILE H H 12 8.448 8.448 8.659 -0.211 25836
3038 1 13 . 1 1 13 13 GLY N N 13 114.867 114.867 116.761 -1.894 25836
3039 1 13 . 1 1 13 13 GLY CA C 13 41.954 41.954 44.915 -2.961 25836
3040 1 13 . 1 1 13 13 GLY H H 13 9.649 9.649 8.646 1.003 25836
3041 1 13 . 1 1 14 14 THR N N 14 118.155 118.155 117.276 0.879 25836
3042 1 13 . 1 1 14 14 THR HA H 14 4.049 4.049 4.547 -0.498 25836
3043 1 13 . 1 1 14 14 THR CA C 14 61.464 61.464 60.228 1.236 25836
3044 1 13 . 1 1 14 14 THR CB C 14 67.426 67.426 69.215 -1.789 25836
3045 1 13 . 1 1 14 14 THR H H 14 8.076 8.076 7.771 0.305 25836
3046 1 13 . 1 1 15 15 THR N N 15 123.193 123.193 117.833 5.360 25836
3047 1 13 . 1 1 15 15 THR HA H 15 4.824 4.824 4.311 0.513 25836
3048 1 13 . 1 1 15 15 THR CA C 15 61.148 61.148 62.432 -1.284 25836
3049 1 13 . 1 1 15 15 THR CB C 15 66.798 66.798 69.060 -2.262 25836
3050 1 13 . 1 1 15 15 THR H H 15 8.498 8.498 8.217 0.281 25836
3051 1 13 . 1 1 16 16 CYS N N 16 119.932 119.932 121.924 -1.992 25836
3052 1 13 . 1 1 16 16 CYS HA H 16 5.510 5.510 4.637 0.873 25836
3053 1 13 . 1 1 16 16 CYS CA C 16 50.274 50.274 57.084 -6.810 25836
3054 1 13 . 1 1 16 16 CYS CB C 16 45.557 45.557 29.201 16.356 25836
3055 1 13 . 1 1 16 16 CYS H H 16 8.384 8.384 8.262 0.122 25836
3056 1 13 . 1 1 17 17 SER N N 17 114.553 114.553 119.730 -5.177 25836
3057 1 13 . 1 1 17 17 SER HA H 17 4.676 4.676 4.590 0.086 25836
3058 1 13 . 1 1 17 17 SER CA C 17 56.391 56.391 58.450 -2.059 25836
3059 1 13 . 1 1 17 17 SER CB C 17 62.251 62.251 63.850 -1.599 25836
3060 1 13 . 1 1 17 17 SER H H 17 9.853 9.853 8.905 0.948 25836
3061 1 13 . 1 1 18 18 ASP N N 18 119.019 119.019 120.183 -1.164 25836
3062 1 13 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.247 0.383 25836
3063 1 13 . 1 1 18 18 ASP CA C 18 50.649 50.649 56.822 -6.173 25836
3064 1 13 . 1 1 18 18 ASP CB C 18 41.339 41.339 41.137 0.202 25836
3065 1 13 . 1 1 18 18 ASP H H 18 7.767 7.767 8.110 -0.343 25836
3066 1 13 . 1 1 19 19 ASP N N 19 121.627 121.627 117.779 3.848 25836
3067 1 13 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.369 -0.123 25836
3068 1 13 . 1 1 19 19 ASP CA C 19 55.706 55.706 55.176 0.530 25836
3069 1 13 . 1 1 19 19 ASP CB C 19 37.099 37.099 40.338 -3.239 25836
3070 1 13 . 1 1 19 19 ASP H H 19 8.916 8.916 8.666 0.250 25836
3071 1 13 . 1 1 20 20 CYS N N 20 117.427 117.427 113.727 3.700 25836
3072 1 13 . 1 1 20 20 CYS HA H 20 4.689 4.689 4.141 0.548 25836
3073 1 13 . 1 1 20 20 CYS CA C 20 52.798 52.798 59.723 -6.925 25836
3074 1 13 . 1 1 20 20 CYS CB C 20 36.331 36.331 25.961 10.370 25836
3075 1 13 . 1 1 20 20 CYS H H 20 9.308 9.308 8.527 0.781 25836
3076 1 13 . 1 1 21 21 ASP N N 21 120.031 120.031 119.387 0.644 25836
3077 1 13 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.499 -0.771 25836
3078 1 13 . 1 1 21 21 ASP CA C 21 53.926 53.926 56.074 -2.148 25836
3079 1 13 . 1 1 21 21 ASP CB C 21 39.032 39.032 40.971 -1.939 25836
3080 1 13 . 1 1 21 21 ASP H H 21 7.897 7.897 8.157 -0.260 25836
3081 1 13 . 1 1 22 22 CYS N N 22 112.949 112.949 115.610 -2.661 25836
3082 1 13 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.801 0.473 25836
3083 1 13 . 1 1 22 22 CYS CA C 22 48.641 48.641 57.340 -8.699 25836
3084 1 13 . 1 1 22 22 CYS CB C 22 36.172 36.172 28.994 7.178 25836
3085 1 13 . 1 1 22 22 CYS H H 22 7.120 7.120 7.861 -0.741 25836
3086 1 13 . 1 1 23 23 CYS N N 23 124.612 124.612 124.674 -0.062 25836
3087 1 13 . 1 1 23 23 CYS H H 23 11.256 11.256 8.829 2.427 25836
3088 1 13 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.254 -0.208 25836
3089 1 13 . 1 1 24 24 PRO CA C 24 63.522 63.522 65.476 -1.954 25836
3090 1 13 . 1 1 24 24 PRO CB C 24 37.298 37.298 32.213 5.085 25836
3091 1 13 . 1 1 25 25 GLU N N 25 114.549 114.549 117.112 -2.563 25836
3092 1 13 . 1 1 25 25 GLU HA H 25 4.355 4.355 4.009 0.346 25836
3093 1 13 . 1 1 25 25 GLU CA C 25 54.444 54.444 58.445 -4.001 25836
3094 1 13 . 1 1 25 25 GLU CB C 25 25.751 25.751 28.909 -3.158 25836
3095 1 13 . 1 1 25 25 GLU H H 25 9.041 9.041 8.817 0.224 25836
3096 1 13 . 1 1 26 26 HIS N N 26 123.352 123.352 116.714 6.638 25836
3097 1 13 . 1 1 26 26 HIS HA H 26 5.408 5.408 5.236 0.172 25836
3098 1 13 . 1 1 26 26 HIS CA C 26 50.399 50.399 56.017 -5.618 25836
3099 1 13 . 1 1 26 26 HIS CB C 26 33.143 33.143 33.078 0.065 25836
3100 1 13 . 1 1 26 26 HIS H H 26 8.118 8.118 7.432 0.686 25836
3101 1 13 . 1 1 27 27 HIS N N 27 112.923 112.923 116.777 -3.854 25836
3102 1 13 . 1 1 27 27 HIS HA H 27 4.644 4.644 4.921 -0.277 25836
3103 1 13 . 1 1 27 27 HIS CA C 27 52.622 52.622 55.778 -3.156 25836
3104 1 13 . 1 1 27 27 HIS CB C 27 28.231 28.231 33.149 -4.918 25836
3105 1 13 . 1 1 27 27 HIS H H 27 9.365 9.365 9.150 0.215 25836
3106 1 13 . 1 1 28 28 CYS N N 28 121.103 121.103 119.861 1.242 25836
3107 1 13 . 1 1 28 28 CYS HA H 28 4.803 4.803 4.450 0.353 25836
3108 1 13 . 1 1 28 28 CYS CA C 28 52.733 52.733 59.233 -6.500 25836
3109 1 13 . 1 1 28 28 CYS CB C 28 34.784 34.784 27.148 7.636 25836
3110 1 13 . 1 1 28 28 CYS H H 28 9.499 9.499 7.798 1.701 25836
3111 1 13 . 1 1 29 29 HIS N N 29 132.381 132.381 127.372 5.009 25836
3112 1 13 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.896 -0.372 25836
3113 1 13 . 1 1 29 29 HIS CA C 29 53.855 53.855 55.200 -1.345 25836
3114 1 13 . 1 1 29 29 HIS CB C 29 28.973 28.973 30.863 -1.890 25836
3115 1 13 . 1 1 29 29 HIS H H 29 8.938 8.938 8.919 0.019 25836
3116 1 13 . 1 1 30 30 CYS N N 30 127.165 127.165 126.637 0.528 25836
3117 1 13 . 1 1 30 30 CYS HA H 30 5.146 5.146 4.857 0.289 25836
3118 1 13 . 1 1 30 30 CYS CA C 30 48.824 48.824 56.549 -7.725 25836
3119 1 13 . 1 1 30 30 CYS CB C 30 41.470 41.470 28.922 12.547 25836
3120 1 13 . 1 1 30 30 CYS H H 30 8.400 8.400 8.826 -0.426 25836
3121 1 13 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.596 -0.320 25836
3122 1 13 . 1 1 31 31 PRO CA C 31 60.702 60.702 62.883 -2.181 25836
3123 1 13 . 1 1 31 31 PRO CB C 31 29.441 29.441 32.407 -2.966 25836
3124 1 13 . 1 1 32 32 ALA N N 32 122.630 122.630 121.415 1.215 25836
3125 1 13 . 1 1 32 32 ALA HA H 32 4.430 4.430 4.503 -0.073 25836
3126 1 13 . 1 1 32 32 ALA CA C 32 49.453 49.453 51.656 -2.203 25836
3127 1 13 . 1 1 32 32 ALA CB C 32 16.936 16.936 20.403 -3.467 25836
3128 1 13 . 1 1 32 32 ALA H H 32 8.367 8.367 8.294 0.073 25836
3129 1 13 . 1 1 33 33 GLY N N 33 107.375 107.375 105.208 2.167 25836
3130 1 13 . 1 1 33 33 GLY CA C 33 42.443 42.443 45.117 -2.674 25836
3131 1 13 . 1 1 33 33 GLY H H 33 8.097 8.097 8.313 -0.216 25836
3132 1 13 . 1 1 34 34 LYS N N 34 119.653 119.653 120.646 -0.993 25836
3133 1 13 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.354 -0.040 25836
3134 1 13 . 1 1 34 34 LYS CA C 34 61.156 61.156 56.277 4.879 25836
3135 1 13 . 1 1 34 34 LYS CB C 34 30.378 30.378 33.108 -2.730 25836
3136 1 13 . 1 1 34 34 LYS H H 34 7.852 7.852 7.588 0.264 25836
3137 1 13 . 1 1 35 35 TRP N N 35 122.428 122.428 124.656 -2.228 25836
3138 1 13 . 1 1 35 35 TRP CB C 35 27.248 27.248 29.018 -1.770 25836
3139 1 13 . 1 1 35 35 TRP H H 35 8.130 8.130 8.393 -0.263 25836
3140 1 13 . 1 1 36 36 LEU N N 36 125.209 125.209 124.754 0.455 25836
3141 1 13 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.907 0.642 25836
3142 1 13 . 1 1 36 36 LEU CA C 36 50.156 50.156 54.900 -4.744 25836
3143 1 13 . 1 1 36 36 LEU CB C 36 40.225 40.225 41.389 -1.164 25836
3144 1 13 . 1 1 36 36 LEU H H 36 7.460 7.460 7.967 -0.507 25836
3145 1 13 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.412 -0.111 25836
3146 1 13 . 1 1 37 37 PRO CA C 37 56.645 56.645 62.411 -5.766 25836
3147 1 13 . 1 1 38 38 GLY N N 38 109.686 109.686 107.255 2.431 25836
3148 1 13 . 1 1 38 38 GLY CA C 38 42.884 42.884 44.465 -1.581 25836
3149 1 13 . 1 1 38 38 GLY H H 38 8.480 8.480 8.262 0.218 25836
3150 1 13 . 1 1 39 39 LEU N N 39 121.083 121.083 119.825 1.258 25836
3151 1 13 . 1 1 39 39 LEU HA H 39 4.360 4.360 4.080 0.280 25836
3152 1 13 . 1 1 39 39 LEU CA C 39 52.798 52.798 55.675 -2.877 25836
3153 1 13 . 1 1 39 39 LEU CB C 39 40.369 40.369 41.611 -1.242 25836
3154 1 13 . 1 1 39 39 LEU H H 39 7.847 7.847 7.622 0.225 25836
3155 1 13 . 1 1 40 40 PHE N N 40 118.886 118.886 117.868 1.018 25836
3156 1 13 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.308 0.266 25836
3157 1 13 . 1 1 40 40 PHE CA C 40 54.489 54.489 59.162 -4.673 25836
3158 1 13 . 1 1 40 40 PHE CB C 40 37.271 37.271 39.263 -1.992 25836
3159 1 13 . 1 1 40 40 PHE H H 40 7.868 7.868 7.697 0.171 25836
3160 1 13 . 1 1 41 41 ARG N N 41 121.171 121.171 119.855 1.316 25836
3161 1 13 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.548 -0.132 25836
3162 1 13 . 1 1 41 41 ARG CA C 41 52.974 52.974 55.458 -2.484 25836
3163 1 13 . 1 1 41 41 ARG CB C 41 29.148 29.148 31.804 -2.656 25836
3164 1 13 . 1 1 41 41 ARG H H 41 7.888 7.888 8.629 -0.741 25836
3165 1 13 . 1 1 42 42 CYS N N 42 123.035 123.035 117.219 5.816 25836
3166 1 13 . 1 1 42 42 CYS HA H 42 5.446 5.446 5.128 0.318 25836
3167 1 13 . 1 1 42 42 CYS CA C 42 53.979 53.979 57.451 -3.472 25836
3168 1 13 . 1 1 42 42 CYS CB C 42 45.543 45.543 29.717 15.826 25836
3169 1 13 . 1 1 42 42 CYS H H 42 8.731 8.731 8.542 0.189 25836
3170 1 13 . 1 1 43 43 THR N N 43 111.223 111.223 111.659 -0.436 25836
3171 1 13 . 1 1 43 43 THR HA H 43 5.402 5.402 4.665 0.737 25836
3172 1 13 . 1 1 43 43 THR CA C 43 57.581 57.581 60.504 -2.923 25836
3173 1 13 . 1 1 43 43 THR CB C 43 71.715 71.715 70.798 0.917 25836
3174 1 13 . 1 1 43 43 THR H H 43 8.659 8.659 8.474 0.185 25836
3175 1 13 . 1 1 44 44 CYS N N 44 120.754 120.754 124.635 -3.881 25836
3176 1 13 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.205 0.124 25836
3177 1 13 . 1 1 44 44 CYS CA C 44 52.398 52.398 59.626 -7.228 25836
3178 1 13 . 1 1 44 44 CYS CB C 44 36.766 36.766 26.278 10.488 25836
3179 1 13 . 1 1 44 44 CYS H H 44 8.404 8.404 8.890 -0.486 25836
3180 1 13 . 1 1 45 45 GLN N N 45 121.589 121.589 124.317 -2.728 25836
3181 1 13 . 1 1 45 45 GLN HA H 45 4.695 4.695 4.891 -0.196 25836
3182 1 13 . 1 1 45 45 GLN CA C 45 51.495 51.495 53.185 -1.690 25836
3183 1 13 . 1 1 45 45 GLN CB C 45 31.136 31.136 32.989 -1.853 25836
3184 1 13 . 1 1 45 45 GLN H H 45 9.247 9.247 9.032 0.215 25836
3185 1 13 . 1 1 46 46 VAL N N 46 119.594 119.594 120.816 -1.222 25836
3186 1 13 . 1 1 46 46 VAL HA H 46 4.149 4.149 3.667 0.482 25836
3187 1 13 . 1 1 46 46 VAL CA C 46 61.358 61.358 64.170 -2.812 25836
3188 1 13 . 1 1 46 46 VAL CB C 46 29.629 29.629 32.011 -2.382 25836
3189 1 13 . 1 1 46 46 VAL H H 46 8.703 8.703 8.899 -0.196 25836
3190 1 13 . 1 1 47 47 THR N N 47 118.278 118.278 116.519 1.759 25836
3191 1 13 . 1 1 47 47 THR HA H 47 4.169 4.169 4.289 -0.120 25836
3192 1 13 . 1 1 47 47 THR CA C 47 59.491 59.491 62.292 -2.801 25836
3193 1 13 . 1 1 47 47 THR CB C 47 66.789 66.789 67.961 -1.172 25836
3194 1 13 . 1 1 47 47 THR H H 47 8.002 8.002 8.300 -0.298 25836
3195 1 13 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.150 0.312 25836
3196 1 13 . 1 1 49 49 SER N N 49 114.478 114.478 115.071 -0.593 25836
3197 1 13 . 1 1 49 49 SER HA H 49 4.291 4.291 4.312 -0.021 25836
3198 1 13 . 1 1 49 49 SER CA C 49 51.081 51.081 58.392 -7.311 25836
3199 1 13 . 1 1 49 49 SER CB C 49 60.846 60.846 63.891 -3.045 25836
3200 1 13 . 1 1 49 49 SER H H 49 8.304 8.304 7.860 0.444 25836
3201 1 13 . 1 1 50 50 ASP N N 50 118.750 118.750 119.920 -1.170 25836
3202 1 13 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.632 -0.051 25836
3203 1 13 . 1 1 50 50 ASP CA C 50 51.426 51.426 55.325 -3.899 25836
3204 1 13 . 1 1 50 50 ASP CB C 50 37.727 37.727 41.223 -3.496 25836
3205 1 13 . 1 1 50 50 ASP H H 50 8.469 8.469 8.544 -0.075 25836
3206 1 13 . 1 1 51 51 LYS N N 51 120.789 120.789 120.229 0.560 25836
3207 1 13 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.422 0.037 25836
3208 1 13 . 1 1 51 51 LYS CA C 51 52.869 52.869 55.516 -2.647 25836
3209 1 13 . 1 1 51 51 LYS CB C 51 26.190 26.190 31.828 -5.638 25836
3210 1 13 . 1 1 51 51 LYS H H 51 7.824 7.824 7.669 0.155 25836
3211 1 13 . 1 1 52 52 VAL N N 52 116.071 116.071 119.545 -3.474 25836
3212 1 13 . 1 1 52 52 VAL HA H 52 4.303 4.303 3.900 0.403 25836
3213 1 13 . 1 1 52 52 VAL CA C 52 57.941 57.941 61.086 -3.145 25836
3214 1 13 . 1 1 52 52 VAL CB C 52 31.464 31.464 32.616 -1.152 25836
3215 1 13 . 1 1 52 52 VAL H H 52 7.653 7.653 8.128 -0.475 25836
3216 1 13 . 1 1 53 53 ASN N N 53 123.498 123.498 120.055 3.443 25836
3217 1 13 . 1 1 53 53 ASN HA H 53 4.374 4.374 4.330 0.044 25836
3218 1 13 . 1 1 53 53 ASN CA C 53 52.763 52.763 53.834 -1.071 25836
3219 1 13 . 1 1 53 53 ASN CB C 53 37.419 37.419 39.562 -2.143 25836
3220 1 13 . 1 1 53 53 ASN H H 53 8.495 8.495 7.858 0.637 25836
3221 1 13 . 1 1 54 54 LYS N N 54 127.289 127.289 121.138 6.151 25836
3222 1 13 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.071 0.273 25836
3223 1 13 . 1 1 54 54 LYS CA C 54 53.397 53.397 57.782 -4.385 25836
3224 1 13 . 1 1 54 54 LYS CB C 54 29.422 29.422 32.194 -2.772 25836
3225 1 13 . 1 1 54 54 LYS H H 54 10.155 10.155 8.341 1.814 25836
3226 1 13 . 1 1 55 55 CYS N N 55 124.019 124.019 119.418 4.601 25836
3227 1 13 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.513 0.176 25836
3228 1 13 . 1 1 55 55 CYS CA C 55 52.235 52.235 57.661 -5.426 25836
3229 1 13 . 1 1 55 55 CYS CB C 55 40.134 40.134 26.775 13.359 25836
3230 1 13 . 1 1 55 55 CYS H H 55 8.698 8.698 7.958 0.740 25836
3231 1 13 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.315 0.274 25836
3232 1 13 . 1 1 57 57 PRO CB C 57 29.744 29.744 29.315 0.429 25836
3233 1 13 . 1 1 58 58 ALA N N 58 123.825 123.825 123.271 0.554 25836
3234 1 13 . 1 1 58 58 ALA HA H 58 4.351 4.351 3.863 0.488 25836
3235 1 13 . 1 1 58 58 ALA CA C 58 49.557 49.557 53.181 -3.624 25836
3236 1 13 . 1 1 58 58 ALA CB C 58 16.910 16.910 18.417 -1.507 25836
3237 1 13 . 1 1 58 58 ALA H H 58 8.426 8.426 8.169 0.257 25836
3238 1 14 . 1 1 2 2 THR N N 2 112.683 112.683 117.973 -5.290 25836
3239 1 14 . 1 1 2 2 THR HA H 2 4.483 4.483 4.902 -0.419 25836
3240 1 14 . 1 1 2 2 THR H H 2 8.031 8.031 8.142 -0.111 25836
3241 1 14 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.694 -0.382 25836
3242 1 14 . 1 1 3 3 PRO CA C 3 51.149 51.149 62.648 -11.499 25836
3243 1 14 . 1 1 3 3 PRO CB C 3 29.323 29.323 32.680 -3.357 25836
3244 1 14 . 1 1 4 4 VAL N N 4 120.622 120.622 111.206 9.416 25836
3245 1 14 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.534 -0.264 25836
3246 1 14 . 1 1 4 4 VAL CA C 4 58.505 58.505 60.782 -2.277 25836
3247 1 14 . 1 1 4 4 VAL CB C 4 31.307 31.307 34.863 -3.556 25836
3248 1 14 . 1 1 4 4 VAL H H 4 8.113 8.113 7.823 0.290 25836
3249 1 14 . 1 1 5 5 GLY N N 5 115.132 115.132 114.838 0.294 25836
3250 1 14 . 1 1 5 5 GLY CA C 5 44.133 44.133 45.965 -1.832 25836
3251 1 14 . 1 1 5 5 GLY H H 5 8.736 8.736 8.666 0.070 25836
3252 1 14 . 1 1 6 6 ASN N N 6 123.501 123.501 121.387 2.114 25836
3253 1 14 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.673 0.055 25836
3254 1 14 . 1 1 6 6 ASN CA C 6 50.698 50.698 53.042 -2.344 25836
3255 1 14 . 1 1 6 6 ASN CB C 6 36.797 36.797 38.153 -1.356 25836
3256 1 14 . 1 1 6 6 ASN H H 6 9.148 9.148 8.017 1.131 25836
3257 1 14 . 1 1 7 7 ASN N N 7 118.968 118.968 117.647 1.321 25836
3258 1 14 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.661 0.634 25836
3259 1 14 . 1 1 7 7 ASN CA C 7 51.671 51.671 54.282 -2.611 25836
3260 1 14 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.545 1.056 25836
3261 1 14 . 1 1 7 7 ASN H H 7 8.515 8.515 7.941 0.574 25836
3262 1 14 . 1 1 8 8 LYS N N 8 123.142 123.142 120.845 2.297 25836
3263 1 14 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.136 -0.327 25836
3264 1 14 . 1 1 8 8 LYS CA C 8 55.264 55.264 57.254 -1.990 25836
3265 1 14 . 1 1 8 8 LYS CB C 8 29.383 29.383 32.478 -3.095 25836
3266 1 14 . 1 1 8 8 LYS H H 8 9.294 9.294 8.435 0.859 25836
3267 1 14 . 1 1 9 9 CYS N N 9 111.161 111.161 118.677 -7.516 25836
3268 1 14 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.372 -0.302 25836
3269 1 14 . 1 1 9 9 CYS CA C 9 51.847 51.847 59.239 -7.393 25836
3270 1 14 . 1 1 9 9 CYS CB C 9 32.263 32.263 25.194 7.069 25836
3271 1 14 . 1 1 9 9 CYS H H 9 6.690 6.690 8.063 -1.373 25836
3272 1 14 . 1 1 10 10 TRP N N 10 119.159 119.159 125.501 -6.342 25836
3273 1 14 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.486 0.451 25836
3274 1 14 . 1 1 10 10 TRP CA C 10 53.032 53.032 57.936 -4.904 25836
3275 1 14 . 1 1 10 10 TRP CB C 10 26.379 26.379 30.469 -4.090 25836
3276 1 14 . 1 1 10 10 TRP H H 10 8.232 8.232 7.847 0.385 25836
3277 1 14 . 1 1 11 11 ALA N N 11 119.150 119.150 123.064 -3.914 25836
3278 1 14 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.391 -0.039 25836
3279 1 14 . 1 1 11 11 ALA CA C 11 49.381 49.381 51.724 -2.344 25836
3280 1 14 . 1 1 11 11 ALA CB C 11 17.253 17.253 19.761 -2.508 25836
3281 1 14 . 1 1 11 11 ALA H H 11 8.159 8.159 8.714 -0.555 25836
3282 1 14 . 1 1 12 12 ILE N N 12 121.974 121.974 123.624 -1.650 25836
3283 1 14 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.812 -0.213 25836
3284 1 14 . 1 1 12 12 ILE CA C 12 59.657 59.657 61.600 -1.943 25836
3285 1 14 . 1 1 12 12 ILE CB C 12 34.763 34.763 35.447 -0.684 25836
3286 1 14 . 1 1 12 12 ILE H H 12 8.448 8.448 8.706 -0.258 25836
3287 1 14 . 1 1 13 13 GLY N N 13 114.867 114.867 117.209 -2.342 25836
3288 1 14 . 1 1 13 13 GLY CA C 13 41.954 41.954 44.848 -2.894 25836
3289 1 14 . 1 1 13 13 GLY H H 13 9.649 9.649 8.860 0.789 25836
3290 1 14 . 1 1 14 14 THR N N 14 118.155 118.155 117.505 0.650 25836
3291 1 14 . 1 1 14 14 THR HA H 14 4.049 4.049 4.656 -0.607 25836
3292 1 14 . 1 1 14 14 THR CA C 14 61.464 61.464 61.512 -0.048 25836
3293 1 14 . 1 1 14 14 THR CB C 14 67.426 67.426 70.283 -2.857 25836
3294 1 14 . 1 1 14 14 THR H H 14 8.076 8.076 8.020 0.056 25836
3295 1 14 . 1 1 15 15 THR N N 15 123.193 123.193 115.481 7.712 25836
3296 1 14 . 1 1 15 15 THR HA H 15 4.824 4.824 4.582 0.242 25836
3297 1 14 . 1 1 15 15 THR CA C 15 61.148 61.148 62.214 -1.066 25836
3298 1 14 . 1 1 15 15 THR CB C 15 66.798 66.798 69.466 -2.668 25836
3299 1 14 . 1 1 15 15 THR H H 15 8.498 8.498 8.204 0.293 25836
3300 1 14 . 1 1 16 16 CYS N N 16 119.932 119.932 120.435 -0.503 25836
3301 1 14 . 1 1 16 16 CYS HA H 16 5.510 5.510 4.311 1.199 25836
3302 1 14 . 1 1 16 16 CYS CA C 16 50.274 50.274 56.794 -6.520 25836
3303 1 14 . 1 1 16 16 CYS CB C 16 45.557 45.557 29.175 16.382 25836
3304 1 14 . 1 1 16 16 CYS H H 16 8.384 8.384 8.061 0.323 25836
3305 1 14 . 1 1 17 17 SER N N 17 114.553 114.553 117.098 -2.545 25836
3306 1 14 . 1 1 17 17 SER HA H 17 4.676 4.676 4.571 0.105 25836
3307 1 14 . 1 1 17 17 SER CA C 17 56.391 56.391 57.523 -1.132 25836
3308 1 14 . 1 1 17 17 SER CB C 17 62.251 62.251 63.575 -1.324 25836
3309 1 14 . 1 1 17 17 SER H H 17 9.853 9.853 8.470 1.383 25836
3310 1 14 . 1 1 18 18 ASP N N 18 119.019 119.019 121.438 -2.419 25836
3311 1 14 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.215 0.415 25836
3312 1 14 . 1 1 18 18 ASP CA C 18 50.649 50.649 56.135 -5.486 25836
3313 1 14 . 1 1 18 18 ASP CB C 18 41.339 41.339 40.151 1.188 25836
3314 1 14 . 1 1 18 18 ASP H H 18 7.767 7.767 8.062 -0.295 25836
3315 1 14 . 1 1 19 19 ASP N N 19 121.627 121.627 117.953 3.674 25836
3316 1 14 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.273 -0.027 25836
3317 1 14 . 1 1 19 19 ASP CA C 19 55.706 55.706 55.144 0.562 25836
3318 1 14 . 1 1 19 19 ASP CB C 19 37.099 37.099 40.086 -2.987 25836
3319 1 14 . 1 1 19 19 ASP H H 19 8.916 8.916 8.772 0.144 25836
3320 1 14 . 1 1 20 20 CYS N N 20 117.427 117.427 114.039 3.388 25836
3321 1 14 . 1 1 20 20 CYS HA H 20 4.689 4.689 4.091 0.598 25836
3322 1 14 . 1 1 20 20 CYS CA C 20 52.798 52.798 59.790 -6.992 25836
3323 1 14 . 1 1 20 20 CYS CB C 20 36.331 36.331 25.843 10.488 25836
3324 1 14 . 1 1 20 20 CYS H H 20 9.308 9.308 8.620 0.688 25836
3325 1 14 . 1 1 21 21 ASP N N 21 120.031 120.031 119.695 0.336 25836
3326 1 14 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.588 -0.860 25836
3327 1 14 . 1 1 21 21 ASP CA C 21 53.926 53.926 57.610 -3.684 25836
3328 1 14 . 1 1 21 21 ASP CB C 21 39.032 39.032 41.215 -2.183 25836
3329 1 14 . 1 1 21 21 ASP H H 21 7.897 7.897 8.110 -0.213 25836
3330 1 14 . 1 1 22 22 CYS N N 22 112.949 112.949 116.280 -3.331 25836
3331 1 14 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.875 0.400 25836
3332 1 14 . 1 1 22 22 CYS CA C 22 48.641 48.641 58.415 -9.774 25836
3333 1 14 . 1 1 22 22 CYS CB C 22 36.172 36.172 28.635 7.537 25836
3334 1 14 . 1 1 22 22 CYS H H 22 7.120 7.120 8.031 -0.911 25836
3335 1 14 . 1 1 23 23 CYS N N 23 124.612 124.612 125.406 -0.794 25836
3336 1 14 . 1 1 23 23 CYS H H 23 11.256 11.256 8.760 2.496 25836
3337 1 14 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.411 -0.365 25836
3338 1 14 . 1 1 24 24 PRO CA C 24 63.522 63.522 65.404 -1.882 25836
3339 1 14 . 1 1 24 24 PRO CB C 24 37.298 37.298 32.096 5.202 25836
3340 1 14 . 1 1 25 25 GLU N N 25 114.549 114.549 114.696 -0.147 25836
3341 1 14 . 1 1 25 25 GLU HA H 25 4.355 4.355 3.928 0.427 25836
3342 1 14 . 1 1 25 25 GLU CA C 25 54.444 54.444 58.486 -4.042 25836
3343 1 14 . 1 1 25 25 GLU CB C 25 25.751 25.751 28.819 -3.068 25836
3344 1 14 . 1 1 25 25 GLU H H 25 9.041 9.041 8.856 0.185 25836
3345 1 14 . 1 1 26 26 HIS N N 26 123.352 123.352 115.367 7.985 25836
3346 1 14 . 1 1 26 26 HIS HA H 26 5.408 5.408 5.429 -0.021 25836
3347 1 14 . 1 1 26 26 HIS CA C 26 50.399 50.399 56.338 -5.939 25836
3348 1 14 . 1 1 26 26 HIS CB C 26 33.143 33.143 32.381 0.762 25836
3349 1 14 . 1 1 26 26 HIS H H 26 8.118 8.118 7.600 0.518 25836
3350 1 14 . 1 1 27 27 HIS N N 27 112.923 112.923 114.373 -1.450 25836
3351 1 14 . 1 1 27 27 HIS HA H 27 4.644 4.644 4.839 -0.195 25836
3352 1 14 . 1 1 27 27 HIS CA C 27 52.622 52.622 54.837 -2.215 25836
3353 1 14 . 1 1 27 27 HIS CB C 27 28.231 28.231 30.396 -2.165 25836
3354 1 14 . 1 1 27 27 HIS H H 27 9.365 9.365 9.364 0.001 25836
3355 1 14 . 1 1 28 28 CYS N N 28 121.103 121.103 119.311 1.792 25836
3356 1 14 . 1 1 28 28 CYS HA H 28 4.803 4.803 4.565 0.238 25836
3357 1 14 . 1 1 28 28 CYS CA C 28 52.733 52.733 58.598 -5.865 25836
3358 1 14 . 1 1 28 28 CYS CB C 28 34.784 34.784 25.965 8.819 25836
3359 1 14 . 1 1 28 28 CYS H H 28 9.499 9.499 8.482 1.017 25836
3360 1 14 . 1 1 29 29 HIS N N 29 132.381 132.381 124.913 7.468 25836
3361 1 14 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.530 -0.006 25836
3362 1 14 . 1 1 29 29 HIS CA C 29 53.855 53.855 55.757 -1.902 25836
3363 1 14 . 1 1 29 29 HIS CB C 29 28.973 28.973 31.395 -2.422 25836
3364 1 14 . 1 1 29 29 HIS H H 29 8.938 8.938 8.979 -0.041 25836
3365 1 14 . 1 1 30 30 CYS N N 30 127.165 127.165 128.498 -1.333 25836
3366 1 14 . 1 1 30 30 CYS HA H 30 5.146 5.146 5.102 0.044 25836
3367 1 14 . 1 1 30 30 CYS CA C 30 48.824 48.824 56.308 -7.484 25836
3368 1 14 . 1 1 30 30 CYS CB C 30 41.470 41.470 25.507 15.963 25836
3369 1 14 . 1 1 30 30 CYS H H 30 8.400 8.400 8.971 -0.571 25836
3370 1 14 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.554 -0.278 25836
3371 1 14 . 1 1 31 31 PRO CA C 31 60.702 60.702 63.071 -2.369 25836
3372 1 14 . 1 1 31 31 PRO CB C 31 29.441 29.441 32.723 -3.282 25836
3373 1 14 . 1 1 32 32 ALA N N 32 122.630 122.630 120.884 1.746 25836
3374 1 14 . 1 1 32 32 ALA HA H 32 4.430 4.430 4.659 -0.229 25836
3375 1 14 . 1 1 32 32 ALA CA C 32 49.453 49.453 51.695 -2.242 25836
3376 1 14 . 1 1 32 32 ALA CB C 32 16.936 16.936 20.585 -3.649 25836
3377 1 14 . 1 1 32 32 ALA H H 32 8.367 8.367 8.536 -0.169 25836
3378 1 14 . 1 1 33 33 GLY N N 33 107.375 107.375 106.834 0.541 25836
3379 1 14 . 1 1 33 33 GLY CA C 33 42.443 42.443 44.601 -2.158 25836
3380 1 14 . 1 1 33 33 GLY H H 33 8.097 8.097 7.970 0.127 25836
3381 1 14 . 1 1 34 34 LYS N N 34 119.653 119.653 120.591 -0.938 25836
3382 1 14 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.352 -0.038 25836
3383 1 14 . 1 1 34 34 LYS CA C 34 61.156 61.156 56.423 4.733 25836
3384 1 14 . 1 1 34 34 LYS CB C 34 30.378 30.378 33.433 -3.055 25836
3385 1 14 . 1 1 34 34 LYS H H 34 7.852 7.852 8.686 -0.834 25836
3386 1 14 . 1 1 35 35 TRP N N 35 122.428 122.428 124.962 -2.534 25836
3387 1 14 . 1 1 35 35 TRP CB C 35 27.248 27.248 28.598 -1.350 25836
3388 1 14 . 1 1 35 35 TRP H H 35 8.130 8.130 8.393 -0.263 25836
3389 1 14 . 1 1 36 36 LEU N N 36 125.209 125.209 116.699 8.510 25836
3390 1 14 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.787 0.762 25836
3391 1 14 . 1 1 36 36 LEU CA C 36 50.156 50.156 54.753 -4.597 25836
3392 1 14 . 1 1 36 36 LEU CB C 36 40.225 40.225 40.928 -0.703 25836
3393 1 14 . 1 1 36 36 LEU H H 36 7.460 7.460 8.138 -0.678 25836
3394 1 14 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.050 0.251 25836
3395 1 14 . 1 1 37 37 PRO CA C 37 56.645 56.645 62.077 -5.432 25836
3396 1 14 . 1 1 38 38 GLY N N 38 109.686 109.686 108.244 1.442 25836
3397 1 14 . 1 1 38 38 GLY CA C 38 42.884 42.884 45.849 -2.965 25836
3398 1 14 . 1 1 38 38 GLY H H 38 8.480 8.480 8.161 0.319 25836
3399 1 14 . 1 1 39 39 LEU N N 39 121.083 121.083 123.010 -1.927 25836
3400 1 14 . 1 1 39 39 LEU HA H 39 4.360 4.360 3.887 0.473 25836
3401 1 14 . 1 1 39 39 LEU CA C 39 52.798 52.798 54.621 -1.823 25836
3402 1 14 . 1 1 39 39 LEU CB C 39 40.369 40.369 42.447 -2.078 25836
3403 1 14 . 1 1 39 39 LEU H H 39 7.847 7.847 7.626 0.221 25836
3404 1 14 . 1 1 40 40 PHE N N 40 118.886 118.886 123.675 -4.789 25836
3405 1 14 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.353 0.221 25836
3406 1 14 . 1 1 40 40 PHE CA C 40 54.489 54.489 58.433 -3.944 25836
3407 1 14 . 1 1 40 40 PHE CB C 40 37.271 37.271 38.690 -1.419 25836
3408 1 14 . 1 1 40 40 PHE H H 40 7.868 7.868 7.732 0.136 25836
3409 1 14 . 1 1 41 41 ARG N N 41 121.171 121.171 123.913 -2.742 25836
3410 1 14 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.556 -0.140 25836
3411 1 14 . 1 1 41 41 ARG CA C 41 52.974 52.974 54.961 -1.987 25836
3412 1 14 . 1 1 41 41 ARG CB C 41 29.148 29.148 34.195 -5.047 25836
3413 1 14 . 1 1 41 41 ARG H H 41 7.888 7.888 8.355 -0.467 25836
3414 1 14 . 1 1 42 42 CYS N N 42 123.035 123.035 117.403 5.632 25836
3415 1 14 . 1 1 42 42 CYS HA H 42 5.446 5.446 5.436 0.010 25836
3416 1 14 . 1 1 42 42 CYS CA C 42 53.979 53.979 57.379 -3.400 25836
3417 1 14 . 1 1 42 42 CYS CB C 42 45.543 45.543 31.892 13.651 25836
3418 1 14 . 1 1 42 42 CYS H H 42 8.731 8.731 8.554 0.177 25836
3419 1 14 . 1 1 43 43 THR N N 43 111.223 111.223 112.573 -1.350 25836
3420 1 14 . 1 1 43 43 THR HA H 43 5.402 5.402 4.907 0.495 25836
3421 1 14 . 1 1 43 43 THR CA C 43 57.581 57.581 59.702 -2.121 25836
3422 1 14 . 1 1 43 43 THR CB C 43 71.715 71.715 70.670 1.045 25836
3423 1 14 . 1 1 43 43 THR H H 43 8.659 8.659 8.686 -0.027 25836
3424 1 14 . 1 1 44 44 CYS N N 44 120.754 120.754 124.667 -3.913 25836
3425 1 14 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.187 0.142 25836
3426 1 14 . 1 1 44 44 CYS CA C 44 52.398 52.398 59.504 -7.106 25836
3427 1 14 . 1 1 44 44 CYS CB C 44 36.766 36.766 26.425 10.341 25836
3428 1 14 . 1 1 44 44 CYS H H 44 8.404 8.404 8.775 -0.371 25836
3429 1 14 . 1 1 45 45 GLN N N 45 121.589 121.589 124.372 -2.783 25836
3430 1 14 . 1 1 45 45 GLN HA H 45 4.695 4.695 4.866 -0.171 25836
3431 1 14 . 1 1 45 45 GLN CA C 45 51.495 51.495 53.414 -1.919 25836
3432 1 14 . 1 1 45 45 GLN CB C 45 31.136 31.136 33.892 -2.756 25836
3433 1 14 . 1 1 45 45 GLN H H 45 9.247 9.247 8.971 0.276 25836
3434 1 14 . 1 1 46 46 VAL N N 46 119.594 119.594 120.230 -0.636 25836
3435 1 14 . 1 1 46 46 VAL HA H 46 4.149 4.149 4.061 0.088 25836
3436 1 14 . 1 1 46 46 VAL CA C 46 61.358 61.358 63.874 -2.516 25836
3437 1 14 . 1 1 46 46 VAL CB C 46 29.629 29.629 32.456 -2.827 25836
3438 1 14 . 1 1 46 46 VAL H H 46 8.703 8.703 8.786 -0.083 25836
3439 1 14 . 1 1 47 47 THR N N 47 118.278 118.278 117.338 0.940 25836
3440 1 14 . 1 1 47 47 THR HA H 47 4.169 4.169 3.705 0.464 25836
3441 1 14 . 1 1 47 47 THR CA C 47 59.491 59.491 62.758 -3.267 25836
3442 1 14 . 1 1 47 47 THR CB C 47 66.789 66.789 67.583 -0.794 25836
3443 1 14 . 1 1 47 47 THR H H 47 8.002 8.002 8.354 -0.352 25836
3444 1 14 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.404 0.058 25836
3445 1 14 . 1 1 49 49 SER N N 49 114.478 114.478 115.628 -1.150 25836
3446 1 14 . 1 1 49 49 SER HA H 49 4.291 4.291 4.439 -0.148 25836
3447 1 14 . 1 1 49 49 SER CA C 49 51.081 51.081 58.801 -7.720 25836
3448 1 14 . 1 1 49 49 SER CB C 49 60.846 60.846 63.935 -3.089 25836
3449 1 14 . 1 1 49 49 SER H H 49 8.304 8.304 8.309 -0.005 25836
3450 1 14 . 1 1 50 50 ASP N N 50 118.750 118.750 120.872 -2.122 25836
3451 1 14 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.672 -0.091 25836
3452 1 14 . 1 1 50 50 ASP CA C 50 51.426 51.426 54.079 -2.653 25836
3453 1 14 . 1 1 50 50 ASP CB C 50 37.727 37.727 39.005 -1.278 25836
3454 1 14 . 1 1 50 50 ASP H H 50 8.469 8.469 8.508 -0.039 25836
3455 1 14 . 1 1 51 51 LYS N N 51 120.789 120.789 119.947 0.842 25836
3456 1 14 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.562 -0.103 25836
3457 1 14 . 1 1 51 51 LYS CA C 51 52.869 52.869 55.810 -2.941 25836
3458 1 14 . 1 1 51 51 LYS CB C 51 26.190 26.190 35.737 -9.547 25836
3459 1 14 . 1 1 51 51 LYS H H 51 7.824 7.824 7.382 0.442 25836
3460 1 14 . 1 1 52 52 VAL N N 52 116.071 116.071 118.500 -2.429 25836
3461 1 14 . 1 1 52 52 VAL HA H 52 4.303 4.303 4.233 0.070 25836
3462 1 14 . 1 1 52 52 VAL CA C 52 57.941 57.941 60.228 -2.287 25836
3463 1 14 . 1 1 52 52 VAL CB C 52 31.464 31.464 33.715 -2.251 25836
3464 1 14 . 1 1 52 52 VAL H H 52 7.653 7.653 8.104 -0.451 25836
3465 1 14 . 1 1 53 53 ASN N N 53 123.498 123.498 123.172 0.326 25836
3466 1 14 . 1 1 53 53 ASN HA H 53 4.374 4.374 4.637 -0.263 25836
3467 1 14 . 1 1 53 53 ASN CA C 53 52.763 52.763 53.811 -1.048 25836
3468 1 14 . 1 1 53 53 ASN CB C 53 37.419 37.419 39.534 -2.115 25836
3469 1 14 . 1 1 53 53 ASN H H 53 8.495 8.495 8.852 -0.357 25836
3470 1 14 . 1 1 54 54 LYS N N 54 127.289 127.289 120.395 6.894 25836
3471 1 14 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.203 0.141 25836
3472 1 14 . 1 1 54 54 LYS CA C 54 53.397 53.397 57.075 -3.678 25836
3473 1 14 . 1 1 54 54 LYS CB C 54 29.422 29.422 31.992 -2.570 25836
3474 1 14 . 1 1 54 54 LYS H H 54 10.155 10.155 8.490 1.665 25836
3475 1 14 . 1 1 55 55 CYS N N 55 124.019 124.019 123.309 0.710 25836
3476 1 14 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.910 -0.221 25836
3477 1 14 . 1 1 55 55 CYS CA C 55 52.235 52.235 57.052 -4.817 25836
3478 1 14 . 1 1 55 55 CYS CB C 55 40.134 40.134 27.640 12.494 25836
3479 1 14 . 1 1 55 55 CYS H H 55 8.698 8.698 8.152 0.546 25836
3480 1 14 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.355 0.234 25836
3481 1 14 . 1 1 57 57 PRO CB C 57 29.744 29.744 32.080 -2.336 25836
3482 1 14 . 1 1 58 58 ALA N N 58 123.825 123.825 121.804 2.021 25836
3483 1 14 . 1 1 58 58 ALA HA H 58 4.351 4.351 4.386 -0.035 25836
3484 1 14 . 1 1 58 58 ALA CA C 58 49.557 49.557 51.739 -2.182 25836
3485 1 14 . 1 1 58 58 ALA CB C 58 16.910 16.910 20.570 -3.660 25836
3486 1 14 . 1 1 58 58 ALA H H 58 8.426 8.426 8.111 0.315 25836
3487 1 15 . 1 1 2 2 THR N N 2 112.683 112.683 115.755 -3.072 25836
3488 1 15 . 1 1 2 2 THR HA H 2 4.483 4.483 4.514 -0.031 25836
3489 1 15 . 1 1 2 2 THR H H 2 8.031 8.031 8.049 -0.018 25836
3490 1 15 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.520 -0.208 25836
3491 1 15 . 1 1 3 3 PRO CA C 3 51.149 51.149 62.636 -11.487 25836
3492 1 15 . 1 1 3 3 PRO CB C 3 29.323 29.323 32.262 -2.939 25836
3493 1 15 . 1 1 4 4 VAL N N 4 120.622 120.622 115.699 4.923 25836
3494 1 15 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.273 -0.003 25836
3495 1 15 . 1 1 4 4 VAL CA C 4 58.505 58.505 62.196 -3.691 25836
3496 1 15 . 1 1 4 4 VAL CB C 4 31.307 31.307 32.185 -0.878 25836
3497 1 15 . 1 1 4 4 VAL H H 4 8.113 8.113 8.171 -0.058 25836
3498 1 15 . 1 1 5 5 GLY N N 5 115.132 115.132 109.632 5.500 25836
3499 1 15 . 1 1 5 5 GLY CA C 5 44.133 44.133 45.021 -0.888 25836
3500 1 15 . 1 1 5 5 GLY H H 5 8.736 8.736 8.136 0.600 25836
3501 1 15 . 1 1 6 6 ASN N N 6 123.501 123.501 117.789 5.712 25836
3502 1 15 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.382 0.346 25836
3503 1 15 . 1 1 6 6 ASN CA C 6 50.698 50.698 54.792 -4.094 25836
3504 1 15 . 1 1 6 6 ASN CB C 6 36.797 36.797 38.418 -1.621 25836
3505 1 15 . 1 1 6 6 ASN H H 6 9.148 9.148 8.642 0.506 25836
3506 1 15 . 1 1 7 7 ASN N N 7 118.968 118.968 118.162 0.806 25836
3507 1 15 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.691 0.604 25836
3508 1 15 . 1 1 7 7 ASN CA C 7 51.671 51.671 53.854 -2.183 25836
3509 1 15 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.447 1.154 25836
3510 1 15 . 1 1 7 7 ASN H H 7 8.515 8.515 8.121 0.394 25836
3511 1 15 . 1 1 8 8 LYS N N 8 123.142 123.142 121.581 1.561 25836
3512 1 15 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.180 -0.371 25836
3513 1 15 . 1 1 8 8 LYS CA C 8 55.264 55.264 57.248 -1.984 25836
3514 1 15 . 1 1 8 8 LYS CB C 8 29.383 29.383 32.803 -3.420 25836
3515 1 15 . 1 1 8 8 LYS H H 8 9.294 9.294 8.337 0.957 25836
3516 1 15 . 1 1 9 9 CYS N N 9 111.161 111.161 119.628 -8.467 25836
3517 1 15 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.169 -0.099 25836
3518 1 15 . 1 1 9 9 CYS CA C 9 51.847 51.847 58.946 -7.099 25836
3519 1 15 . 1 1 9 9 CYS CB C 9 32.263 32.263 25.129 7.134 25836
3520 1 15 . 1 1 9 9 CYS H H 9 6.690 6.690 7.868 -1.178 25836
3521 1 15 . 1 1 10 10 TRP N N 10 119.159 119.159 126.683 -7.524 25836
3522 1 15 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.507 0.430 25836
3523 1 15 . 1 1 10 10 TRP CA C 10 53.032 53.032 57.820 -4.788 25836
3524 1 15 . 1 1 10 10 TRP CB C 10 26.379 26.379 30.799 -4.420 25836
3525 1 15 . 1 1 10 10 TRP H H 10 8.232 8.232 8.125 0.107 25836
3526 1 15 . 1 1 11 11 ALA N N 11 119.150 119.150 122.279 -3.129 25836
3527 1 15 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.287 0.065 25836
3528 1 15 . 1 1 11 11 ALA CA C 11 49.381 49.381 51.760 -2.379 25836
3529 1 15 . 1 1 11 11 ALA CB C 11 17.253 17.253 19.391 -2.138 25836
3530 1 15 . 1 1 11 11 ALA H H 11 8.159 8.159 8.440 -0.281 25836
3531 1 15 . 1 1 12 12 ILE N N 12 121.974 121.974 124.175 -2.201 25836
3532 1 15 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.829 -0.230 25836
3533 1 15 . 1 1 12 12 ILE CA C 12 59.657 59.657 63.345 -3.688 25836
3534 1 15 . 1 1 12 12 ILE CB C 12 34.763 34.763 36.560 -1.797 25836
3535 1 15 . 1 1 12 12 ILE H H 12 8.448 8.448 8.727 -0.279 25836
3536 1 15 . 1 1 13 13 GLY N N 13 114.867 114.867 116.368 -1.501 25836
3537 1 15 . 1 1 13 13 GLY CA C 13 41.954 41.954 44.858 -2.904 25836
3538 1 15 . 1 1 13 13 GLY H H 13 9.649 9.649 8.969 0.680 25836
3539 1 15 . 1 1 14 14 THR N N 14 118.155 118.155 116.467 1.688 25836
3540 1 15 . 1 1 14 14 THR HA H 14 4.049 4.049 4.707 -0.658 25836
3541 1 15 . 1 1 14 14 THR CA C 14 61.464 61.464 60.454 1.010 25836
3542 1 15 . 1 1 14 14 THR CB C 14 67.426 67.426 70.706 -3.280 25836
3543 1 15 . 1 1 14 14 THR H H 14 8.076 8.076 7.983 0.093 25836
3544 1 15 . 1 1 15 15 THR N N 15 123.193 123.193 116.807 6.386 25836
3545 1 15 . 1 1 15 15 THR HA H 15 4.824 4.824 4.216 0.608 25836
3546 1 15 . 1 1 15 15 THR CA C 15 61.148 61.148 63.364 -2.216 25836
3547 1 15 . 1 1 15 15 THR CB C 15 66.798 66.798 69.369 -2.571 25836
3548 1 15 . 1 1 15 15 THR H H 15 8.498 8.498 8.262 0.236 25836
3549 1 15 . 1 1 16 16 CYS N N 16 119.932 119.932 121.066 -1.134 25836
3550 1 15 . 1 1 16 16 CYS HA H 16 5.510 5.510 4.398 1.112 25836
3551 1 15 . 1 1 16 16 CYS CA C 16 50.274 50.274 56.788 -6.514 25836
3552 1 15 . 1 1 16 16 CYS CB C 16 45.557 45.557 29.109 16.448 25836
3553 1 15 . 1 1 16 16 CYS H H 16 8.384 8.384 7.920 0.464 25836
3554 1 15 . 1 1 17 17 SER N N 17 114.553 114.553 118.788 -4.235 25836
3555 1 15 . 1 1 17 17 SER HA H 17 4.676 4.676 4.518 0.158 25836
3556 1 15 . 1 1 17 17 SER CA C 17 56.391 56.391 57.465 -1.074 25836
3557 1 15 . 1 1 17 17 SER CB C 17 62.251 62.251 63.205 -0.954 25836
3558 1 15 . 1 1 17 17 SER H H 17 9.853 9.853 8.241 1.612 25836
3559 1 15 . 1 1 18 18 ASP N N 18 119.019 119.019 120.032 -1.013 25836
3560 1 15 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.346 0.284 25836
3561 1 15 . 1 1 18 18 ASP CA C 18 50.649 50.649 55.840 -5.191 25836
3562 1 15 . 1 1 18 18 ASP CB C 18 41.339 41.339 40.590 0.750 25836
3563 1 15 . 1 1 18 18 ASP H H 18 7.767 7.767 7.766 0.001 25836
3564 1 15 . 1 1 19 19 ASP N N 19 121.627 121.627 116.871 4.756 25836
3565 1 15 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.317 -0.071 25836
3566 1 15 . 1 1 19 19 ASP CA C 19 55.706 55.706 55.107 0.599 25836
3567 1 15 . 1 1 19 19 ASP CB C 19 37.099 37.099 39.796 -2.697 25836
3568 1 15 . 1 1 19 19 ASP H H 19 8.916 8.916 8.565 0.351 25836
3569 1 15 . 1 1 20 20 CYS N N 20 117.427 117.427 113.388 4.039 25836
3570 1 15 . 1 1 20 20 CYS HA H 20 4.689 4.689 4.026 0.663 25836
3571 1 15 . 1 1 20 20 CYS CA C 20 52.798 52.798 59.364 -6.566 25836
3572 1 15 . 1 1 20 20 CYS CB C 20 36.331 36.331 25.374 10.957 25836
3573 1 15 . 1 1 20 20 CYS H H 20 9.308 9.308 8.477 0.831 25836
3574 1 15 . 1 1 21 21 ASP N N 21 120.031 120.031 119.611 0.420 25836
3575 1 15 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.591 -0.863 25836
3576 1 15 . 1 1 21 21 ASP CA C 21 53.926 53.926 56.499 -2.573 25836
3577 1 15 . 1 1 21 21 ASP CB C 21 39.032 39.032 40.862 -1.830 25836
3578 1 15 . 1 1 21 21 ASP H H 21 7.897 7.897 8.172 -0.275 25836
3579 1 15 . 1 1 22 22 CYS N N 22 112.949 112.949 115.264 -2.315 25836
3580 1 15 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.633 0.641 25836
3581 1 15 . 1 1 22 22 CYS CA C 22 48.641 48.641 58.422 -9.781 25836
3582 1 15 . 1 1 22 22 CYS CB C 22 36.172 36.172 28.776 7.396 25836
3583 1 15 . 1 1 22 22 CYS H H 22 7.120 7.120 8.066 -0.946 25836
3584 1 15 . 1 1 23 23 CYS N N 23 124.612 124.612 123.657 0.955 25836
3585 1 15 . 1 1 23 23 CYS H H 23 11.256 11.256 8.639 2.617 25836
3586 1 15 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.593 -0.547 25836
3587 1 15 . 1 1 24 24 PRO CA C 24 63.522 63.522 64.774 -1.252 25836
3588 1 15 . 1 1 24 24 PRO CB C 24 37.298 37.298 32.278 5.020 25836
3589 1 15 . 1 1 25 25 GLU N N 25 114.549 114.549 115.964 -1.415 25836
3590 1 15 . 1 1 25 25 GLU HA H 25 4.355 4.355 4.465 -0.110 25836
3591 1 15 . 1 1 25 25 GLU CA C 25 54.444 54.444 56.204 -1.760 25836
3592 1 15 . 1 1 25 25 GLU CB C 25 25.751 25.751 30.011 -4.260 25836
3593 1 15 . 1 1 25 25 GLU H H 25 9.041 9.041 8.797 0.244 25836
3594 1 15 . 1 1 26 26 HIS N N 26 123.352 123.352 117.090 6.262 25836
3595 1 15 . 1 1 26 26 HIS HA H 26 5.408 5.408 5.279 0.129 25836
3596 1 15 . 1 1 26 26 HIS CA C 26 50.399 50.399 55.275 -4.876 25836
3597 1 15 . 1 1 26 26 HIS CB C 26 33.143 33.143 33.492 -0.349 25836
3598 1 15 . 1 1 26 26 HIS H H 26 8.118 8.118 7.562 0.556 25836
3599 1 15 . 1 1 27 27 HIS N N 27 112.923 112.923 113.087 -0.164 25836
3600 1 15 . 1 1 27 27 HIS HA H 27 4.644 4.644 4.888 -0.244 25836
3601 1 15 . 1 1 27 27 HIS CA C 27 52.622 52.622 55.038 -2.416 25836
3602 1 15 . 1 1 27 27 HIS CB C 27 28.231 28.231 31.305 -3.074 25836
3603 1 15 . 1 1 27 27 HIS H H 27 9.365 9.365 8.530 0.835 25836
3604 1 15 . 1 1 28 28 CYS N N 28 121.103 121.103 122.505 -1.402 25836
3605 1 15 . 1 1 28 28 CYS HA H 28 4.803 4.803 4.810 -0.007 25836
3606 1 15 . 1 1 28 28 CYS CA C 28 52.733 52.733 58.717 -5.984 25836
3607 1 15 . 1 1 28 28 CYS CB C 28 34.784 34.784 25.756 9.028 25836
3608 1 15 . 1 1 28 28 CYS H H 28 9.499 9.499 8.758 0.741 25836
3609 1 15 . 1 1 29 29 HIS N N 29 132.381 132.381 126.558 5.823 25836
3610 1 15 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.626 -0.102 25836
3611 1 15 . 1 1 29 29 HIS CA C 29 53.855 53.855 56.846 -2.991 25836
3612 1 15 . 1 1 29 29 HIS CB C 29 28.973 28.973 31.380 -2.407 25836
3613 1 15 . 1 1 29 29 HIS H H 29 8.938 8.938 8.784 0.154 25836
3614 1 15 . 1 1 30 30 CYS N N 30 127.165 127.165 127.515 -0.350 25836
3615 1 15 . 1 1 30 30 CYS HA H 30 5.146 5.146 4.703 0.443 25836
3616 1 15 . 1 1 30 30 CYS CA C 30 48.824 48.824 55.367 -6.543 25836
3617 1 15 . 1 1 30 30 CYS CB C 30 41.470 41.470 26.127 15.343 25836
3618 1 15 . 1 1 30 30 CYS H H 30 8.400 8.400 8.543 -0.143 25836
3619 1 15 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.323 -0.047 25836
3620 1 15 . 1 1 31 31 PRO CA C 31 60.702 60.702 62.815 -2.113 25836
3621 1 15 . 1 1 31 31 PRO CB C 31 29.441 29.441 32.436 -2.995 25836
3622 1 15 . 1 1 32 32 ALA N N 32 122.630 122.630 120.883 1.747 25836
3623 1 15 . 1 1 32 32 ALA HA H 32 4.430 4.430 4.697 -0.267 25836
3624 1 15 . 1 1 32 32 ALA CA C 32 49.453 49.453 51.057 -1.604 25836
3625 1 15 . 1 1 32 32 ALA CB C 32 16.936 16.936 22.043 -5.107 25836
3626 1 15 . 1 1 32 32 ALA H H 32 8.367 8.367 8.091 0.276 25836
3627 1 15 . 1 1 33 33 GLY N N 33 107.375 107.375 107.449 -0.074 25836
3628 1 15 . 1 1 33 33 GLY CA C 33 42.443 42.443 44.724 -2.281 25836
3629 1 15 . 1 1 33 33 GLY H H 33 8.097 8.097 8.448 -0.351 25836
3630 1 15 . 1 1 34 34 LYS N N 34 119.653 119.653 121.110 -1.457 25836
3631 1 15 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.116 0.198 25836
3632 1 15 . 1 1 34 34 LYS CA C 34 61.156 61.156 56.109 5.046 25836
3633 1 15 . 1 1 34 34 LYS CB C 34 30.378 30.378 32.958 -2.579 25836
3634 1 15 . 1 1 34 34 LYS H H 34 7.852 7.852 8.281 -0.429 25836
3635 1 15 . 1 1 35 35 TRP N N 35 122.428 122.428 122.186 0.242 25836
3636 1 15 . 1 1 35 35 TRP CB C 35 27.248 27.248 28.336 -1.088 25836
3637 1 15 . 1 1 35 35 TRP H H 35 8.130 8.130 8.210 -0.080 25836
3638 1 15 . 1 1 36 36 LEU N N 36 125.209 125.209 124.457 0.752 25836
3639 1 15 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.819 0.730 25836
3640 1 15 . 1 1 36 36 LEU CA C 36 50.156 50.156 55.046 -4.890 25836
3641 1 15 . 1 1 36 36 LEU CB C 36 40.225 40.225 41.350 -1.125 25836
3642 1 15 . 1 1 36 36 LEU H H 36 7.460 7.460 7.870 -0.410 25836
3643 1 15 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.422 -0.121 25836
3644 1 15 . 1 1 37 37 PRO CA C 37 56.645 56.645 62.705 -6.060 25836
3645 1 15 . 1 1 38 38 GLY N N 38 109.686 109.686 107.436 2.250 25836
3646 1 15 . 1 1 38 38 GLY CA C 38 42.884 42.884 44.728 -1.844 25836
3647 1 15 . 1 1 38 38 GLY H H 38 8.480 8.480 8.268 0.212 25836
3648 1 15 . 1 1 39 39 LEU N N 39 121.083 121.083 123.768 -2.685 25836
3649 1 15 . 1 1 39 39 LEU HA H 39 4.360 4.360 4.157 0.203 25836
3650 1 15 . 1 1 39 39 LEU CA C 39 52.798 52.798 55.218 -2.420 25836
3651 1 15 . 1 1 39 39 LEU CB C 39 40.369 40.369 41.567 -1.198 25836
3652 1 15 . 1 1 39 39 LEU H H 39 7.847 7.847 8.316 -0.469 25836
3653 1 15 . 1 1 40 40 PHE N N 40 118.886 118.886 125.918 -7.032 25836
3654 1 15 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.418 0.156 25836
3655 1 15 . 1 1 40 40 PHE CA C 40 54.489 54.489 57.362 -2.873 25836
3656 1 15 . 1 1 40 40 PHE CB C 40 37.271 37.271 40.291 -3.020 25836
3657 1 15 . 1 1 40 40 PHE H H 40 7.868 7.868 8.166 -0.298 25836
3658 1 15 . 1 1 41 41 ARG N N 41 121.171 121.171 120.983 0.188 25836
3659 1 15 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.178 0.238 25836
3660 1 15 . 1 1 41 41 ARG CA C 41 52.974 52.974 56.022 -3.048 25836
3661 1 15 . 1 1 41 41 ARG CB C 41 29.148 29.148 30.125 -0.977 25836
3662 1 15 . 1 1 41 41 ARG H H 41 7.888 7.888 8.106 -0.218 25836
3663 1 15 . 1 1 42 42 CYS N N 42 123.035 123.035 119.946 3.089 25836
3664 1 15 . 1 1 42 42 CYS HA H 42 5.446 5.446 5.159 0.287 25836
3665 1 15 . 1 1 42 42 CYS CA C 42 53.979 53.979 57.669 -3.690 25836
3666 1 15 . 1 1 42 42 CYS CB C 42 45.543 45.543 28.869 16.674 25836
3667 1 15 . 1 1 42 42 CYS H H 42 8.731 8.731 8.582 0.149 25836
3668 1 15 . 1 1 43 43 THR N N 43 111.223 111.223 110.334 0.889 25836
3669 1 15 . 1 1 43 43 THR HA H 43 5.402 5.402 4.736 0.666 25836
3670 1 15 . 1 1 43 43 THR CA C 43 57.581 57.581 60.572 -2.991 25836
3671 1 15 . 1 1 43 43 THR CB C 43 71.715 71.715 71.231 0.484 25836
3672 1 15 . 1 1 43 43 THR H H 43 8.659 8.659 8.648 0.011 25836
3673 1 15 . 1 1 44 44 CYS N N 44 120.754 120.754 123.768 -3.014 25836
3674 1 15 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.093 0.236 25836
3675 1 15 . 1 1 44 44 CYS CA C 44 52.398 52.398 59.361 -6.963 25836
3676 1 15 . 1 1 44 44 CYS CB C 44 36.766 36.766 26.418 10.348 25836
3677 1 15 . 1 1 44 44 CYS H H 44 8.404 8.404 8.941 -0.537 25836
3678 1 15 . 1 1 45 45 GLN N N 45 121.589 121.589 124.553 -2.964 25836
3679 1 15 . 1 1 45 45 GLN HA H 45 4.695 4.695 4.828 -0.133 25836
3680 1 15 . 1 1 45 45 GLN CA C 45 51.495 51.495 53.541 -2.046 25836
3681 1 15 . 1 1 45 45 GLN CB C 45 31.136 31.136 33.130 -1.994 25836
3682 1 15 . 1 1 45 45 GLN H H 45 9.247 9.247 8.888 0.359 25836
3683 1 15 . 1 1 46 46 VAL N N 46 119.594 119.594 122.232 -2.638 25836
3684 1 15 . 1 1 46 46 VAL HA H 46 4.149 4.149 3.104 1.045 25836
3685 1 15 . 1 1 46 46 VAL CA C 46 61.358 61.358 61.776 -0.418 25836
3686 1 15 . 1 1 46 46 VAL CB C 46 29.629 29.629 32.261 -2.632 25836
3687 1 15 . 1 1 46 46 VAL H H 46 8.703 8.703 8.399 0.304 25836
3688 1 15 . 1 1 47 47 THR N N 47 118.278 118.278 121.704 -3.426 25836
3689 1 15 . 1 1 47 47 THR HA H 47 4.169 4.169 4.691 -0.522 25836
3690 1 15 . 1 1 47 47 THR CA C 47 59.491 59.491 61.612 -2.121 25836
3691 1 15 . 1 1 47 47 THR CB C 47 66.789 66.789 70.047 -3.258 25836
3692 1 15 . 1 1 47 47 THR H H 47 8.002 8.002 8.314 -0.312 25836
3693 1 15 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.161 0.301 25836
3694 1 15 . 1 1 49 49 SER N N 49 114.478 114.478 113.968 0.510 25836
3695 1 15 . 1 1 49 49 SER HA H 49 4.291 4.291 4.545 -0.254 25836
3696 1 15 . 1 1 49 49 SER CA C 49 51.081 51.081 58.074 -6.993 25836
3697 1 15 . 1 1 49 49 SER CB C 49 60.846 60.846 64.003 -3.157 25836
3698 1 15 . 1 1 49 49 SER H H 49 8.304 8.304 7.665 0.639 25836
3699 1 15 . 1 1 50 50 ASP N N 50 118.750 118.750 122.117 -3.367 25836
3700 1 15 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.708 -0.127 25836
3701 1 15 . 1 1 50 50 ASP CA C 50 51.426 51.426 54.066 -2.640 25836
3702 1 15 . 1 1 50 50 ASP CB C 50 37.727 37.727 39.887 -2.160 25836
3703 1 15 . 1 1 50 50 ASP H H 50 8.469 8.469 8.554 -0.085 25836
3704 1 15 . 1 1 51 51 LYS N N 51 120.789 120.789 121.613 -0.824 25836
3705 1 15 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.491 -0.032 25836
3706 1 15 . 1 1 51 51 LYS CA C 51 52.869 52.869 55.686 -2.817 25836
3707 1 15 . 1 1 51 51 LYS CB C 51 26.190 26.190 32.041 -5.851 25836
3708 1 15 . 1 1 51 51 LYS H H 51 7.824 7.824 7.491 0.333 25836
3709 1 15 . 1 1 52 52 VAL N N 52 116.071 116.071 121.430 -5.359 25836
3710 1 15 . 1 1 52 52 VAL HA H 52 4.303 4.303 4.941 -0.638 25836
3711 1 15 . 1 1 52 52 VAL CA C 52 57.941 57.941 59.969 -2.028 25836
3712 1 15 . 1 1 52 52 VAL CB C 52 31.464 31.464 33.749 -2.285 25836
3713 1 15 . 1 1 52 52 VAL H H 52 7.653 7.653 7.998 -0.345 25836
3714 1 15 . 1 1 53 53 ASN N N 53 123.498 123.498 117.648 5.850 25836
3715 1 15 . 1 1 53 53 ASN HA H 53 4.374 4.374 4.846 -0.472 25836
3716 1 15 . 1 1 53 53 ASN CA C 53 52.763 52.763 52.286 0.477 25836
3717 1 15 . 1 1 53 53 ASN CB C 53 37.419 37.419 38.970 -1.551 25836
3718 1 15 . 1 1 53 53 ASN H H 53 8.495 8.495 8.265 0.230 25836
3719 1 15 . 1 1 54 54 LYS N N 54 127.289 127.289 118.452 8.837 25836
3720 1 15 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.056 0.288 25836
3721 1 15 . 1 1 54 54 LYS CA C 54 53.397 53.397 57.938 -4.541 25836
3722 1 15 . 1 1 54 54 LYS CB C 54 29.422 29.422 32.046 -2.624 25836
3723 1 15 . 1 1 54 54 LYS H H 54 10.155 10.155 8.283 1.872 25836
3724 1 15 . 1 1 55 55 CYS N N 55 124.019 124.019 118.488 5.531 25836
3725 1 15 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.458 0.231 25836
3726 1 15 . 1 1 55 55 CYS CA C 55 52.235 52.235 57.646 -5.411 25836
3727 1 15 . 1 1 55 55 CYS CB C 55 40.134 40.134 26.960 13.174 25836
3728 1 15 . 1 1 55 55 CYS H H 55 8.698 8.698 8.168 0.530 25836
3729 1 15 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.333 0.256 25836
3730 1 15 . 1 1 57 57 PRO CB C 57 29.744 29.744 29.285 0.459 25836
3731 1 15 . 1 1 58 58 ALA N N 58 123.825 123.825 123.357 0.468 25836
3732 1 15 . 1 1 58 58 ALA HA H 58 4.351 4.351 3.855 0.496 25836
3733 1 15 . 1 1 58 58 ALA CA C 58 49.557 49.557 54.105 -4.548 25836
3734 1 15 . 1 1 58 58 ALA CB C 58 16.910 16.910 17.753 -0.843 25836
3735 1 15 . 1 1 58 58 ALA H H 58 8.426 8.426 8.769 -0.343 25836
3736 1 16 . 1 1 2 2 THR N N 2 112.683 112.683 114.404 -1.721 25836
3737 1 16 . 1 1 2 2 THR HA H 2 4.483 4.483 4.703 -0.220 25836
3738 1 16 . 1 1 2 2 THR H H 2 8.031 8.031 8.063 -0.032 25836
3739 1 16 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.670 -0.358 25836
3740 1 16 . 1 1 3 3 PRO CA C 3 51.149 51.149 62.642 -11.493 25836
3741 1 16 . 1 1 3 3 PRO CB C 3 29.323 29.323 33.133 -3.810 25836
3742 1 16 . 1 1 4 4 VAL N N 4 120.622 120.622 117.312 3.310 25836
3743 1 16 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.393 -0.123 25836
3744 1 16 . 1 1 4 4 VAL CA C 4 58.505 58.505 61.229 -2.724 25836
3745 1 16 . 1 1 4 4 VAL CB C 4 31.307 31.307 33.492 -2.185 25836
3746 1 16 . 1 1 4 4 VAL H H 4 8.113 8.113 8.131 -0.018 25836
3747 1 16 . 1 1 5 5 GLY N N 5 115.132 115.132 110.418 4.714 25836
3748 1 16 . 1 1 5 5 GLY CA C 5 44.133 44.133 44.725 -0.592 25836
3749 1 16 . 1 1 5 5 GLY H H 5 8.736 8.736 8.329 0.407 25836
3750 1 16 . 1 1 6 6 ASN N N 6 123.501 123.501 120.508 2.993 25836
3751 1 16 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.298 0.430 25836
3752 1 16 . 1 1 6 6 ASN CA C 6 50.698 50.698 54.599 -3.901 25836
3753 1 16 . 1 1 6 6 ASN CB C 6 36.797 36.797 38.651 -1.854 25836
3754 1 16 . 1 1 6 6 ASN H H 6 9.148 9.148 8.940 0.208 25836
3755 1 16 . 1 1 7 7 ASN N N 7 118.968 118.968 117.332 1.636 25836
3756 1 16 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.636 0.659 25836
3757 1 16 . 1 1 7 7 ASN CA C 7 51.671 51.671 54.111 -2.440 25836
3758 1 16 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.373 1.228 25836
3759 1 16 . 1 1 7 7 ASN H H 7 8.515 8.515 8.288 0.227 25836
3760 1 16 . 1 1 8 8 LYS N N 8 123.142 123.142 121.875 1.267 25836
3761 1 16 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.177 -0.368 25836
3762 1 16 . 1 1 8 8 LYS CA C 8 55.264 55.264 57.088 -1.824 25836
3763 1 16 . 1 1 8 8 LYS CB C 8 29.383 29.383 32.983 -3.600 25836
3764 1 16 . 1 1 8 8 LYS H H 8 9.294 9.294 8.166 1.128 25836
3765 1 16 . 1 1 9 9 CYS N N 9 111.161 111.161 118.644 -7.483 25836
3766 1 16 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.029 0.041 25836
3767 1 16 . 1 1 9 9 CYS CA C 9 51.847 51.847 58.684 -6.837 25836
3768 1 16 . 1 1 9 9 CYS CB C 9 32.263 32.263 24.669 7.594 25836
3769 1 16 . 1 1 9 9 CYS H H 9 6.690 6.690 7.872 -1.182 25836
3770 1 16 . 1 1 10 10 TRP N N 10 119.159 119.159 124.931 -5.772 25836
3771 1 16 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.753 0.184 25836
3772 1 16 . 1 1 10 10 TRP CA C 10 53.032 53.032 52.985 0.047 25836
3773 1 16 . 1 1 10 10 TRP CB C 10 26.379 26.379 28.931 -2.552 25836
3774 1 16 . 1 1 10 10 TRP H H 10 8.232 8.232 7.369 0.863 25836
3775 1 16 . 1 1 11 11 ALA N N 11 119.150 119.150 123.512 -4.362 25836
3776 1 16 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.299 0.053 25836
3777 1 16 . 1 1 11 11 ALA CA C 11 49.381 49.381 52.060 -2.679 25836
3778 1 16 . 1 1 11 11 ALA CB C 11 17.253 17.253 18.788 -1.535 25836
3779 1 16 . 1 1 11 11 ALA H H 11 8.159 8.159 8.311 -0.152 25836
3780 1 16 . 1 1 12 12 ILE N N 12 121.974 121.974 121.940 0.034 25836
3781 1 16 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.825 -0.226 25836
3782 1 16 . 1 1 12 12 ILE CA C 12 59.657 59.657 62.593 -2.936 25836
3783 1 16 . 1 1 12 12 ILE CB C 12 34.763 34.763 35.622 -0.859 25836
3784 1 16 . 1 1 12 12 ILE H H 12 8.448 8.448 8.444 0.004 25836
3785 1 16 . 1 1 13 13 GLY N N 13 114.867 114.867 115.887 -1.020 25836
3786 1 16 . 1 1 13 13 GLY CA C 13 41.954 41.954 44.904 -2.950 25836
3787 1 16 . 1 1 13 13 GLY H H 13 9.649 9.649 8.627 1.022 25836
3788 1 16 . 1 1 14 14 THR N N 14 118.155 118.155 117.501 0.654 25836
3789 1 16 . 1 1 14 14 THR HA H 14 4.049 4.049 4.061 -0.012 25836
3790 1 16 . 1 1 14 14 THR CA C 14 61.464 61.464 62.819 -1.355 25836
3791 1 16 . 1 1 14 14 THR CB C 14 67.426 67.426 68.247 -0.821 25836
3792 1 16 . 1 1 14 14 THR H H 14 8.076 8.076 7.660 0.416 25836
3793 1 16 . 1 1 15 15 THR N N 15 123.193 123.193 117.191 6.002 25836
3794 1 16 . 1 1 15 15 THR HA H 15 4.824 4.824 4.359 0.465 25836
3795 1 16 . 1 1 15 15 THR CA C 15 61.148 61.148 63.615 -2.467 25836
3796 1 16 . 1 1 15 15 THR CB C 15 66.798 66.798 69.359 -2.561 25836
3797 1 16 . 1 1 15 15 THR H H 15 8.498 8.498 8.108 0.390 25836
3798 1 16 . 1 1 16 16 CYS N N 16 119.932 119.932 123.883 -3.951 25836
3799 1 16 . 1 1 16 16 CYS HA H 16 5.510 5.510 5.018 0.492 25836
3800 1 16 . 1 1 16 16 CYS CA C 16 50.274 50.274 58.244 -7.970 25836
3801 1 16 . 1 1 16 16 CYS CB C 16 45.557 45.557 28.797 16.760 25836
3802 1 16 . 1 1 16 16 CYS H H 16 8.384 8.384 8.535 -0.151 25836
3803 1 16 . 1 1 17 17 SER N N 17 114.553 114.553 118.834 -4.281 25836
3804 1 16 . 1 1 17 17 SER HA H 17 4.676 4.676 4.725 -0.049 25836
3805 1 16 . 1 1 17 17 SER CA C 17 56.391 56.391 58.368 -1.977 25836
3806 1 16 . 1 1 17 17 SER CB C 17 62.251 62.251 63.546 -1.295 25836
3807 1 16 . 1 1 17 17 SER H H 17 9.853 9.853 8.550 1.303 25836
3808 1 16 . 1 1 18 18 ASP N N 18 119.019 119.019 121.560 -2.541 25836
3809 1 16 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.264 0.366 25836
3810 1 16 . 1 1 18 18 ASP CA C 18 50.649 50.649 56.414 -5.765 25836
3811 1 16 . 1 1 18 18 ASP CB C 18 41.339 41.339 40.626 0.713 25836
3812 1 16 . 1 1 18 18 ASP H H 18 7.767 7.767 8.261 -0.494 25836
3813 1 16 . 1 1 19 19 ASP N N 19 121.627 121.627 118.076 3.551 25836
3814 1 16 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.273 -0.027 25836
3815 1 16 . 1 1 19 19 ASP CA C 19 55.706 55.706 55.255 0.451 25836
3816 1 16 . 1 1 19 19 ASP CB C 19 37.099 37.099 40.555 -3.456 25836
3817 1 16 . 1 1 19 19 ASP H H 19 8.916 8.916 8.662 0.254 25836
3818 1 16 . 1 1 20 20 CYS N N 20 117.427 117.427 114.502 2.925 25836
3819 1 16 . 1 1 20 20 CYS HA H 20 4.689 4.689 3.988 0.701 25836
3820 1 16 . 1 1 20 20 CYS CA C 20 52.798 52.798 59.703 -6.905 25836
3821 1 16 . 1 1 20 20 CYS CB C 20 36.331 36.331 25.910 10.421 25836
3822 1 16 . 1 1 20 20 CYS H H 20 9.308 9.308 8.575 0.733 25836
3823 1 16 . 1 1 21 21 ASP N N 21 120.031 120.031 118.886 1.145 25836
3824 1 16 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.042 -0.314 25836
3825 1 16 . 1 1 21 21 ASP CA C 21 53.926 53.926 56.258 -2.332 25836
3826 1 16 . 1 1 21 21 ASP CB C 21 39.032 39.032 40.052 -1.020 25836
3827 1 16 . 1 1 21 21 ASP H H 21 7.897 7.897 7.830 0.067 25836
3828 1 16 . 1 1 22 22 CYS N N 22 112.949 112.949 113.675 -0.726 25836
3829 1 16 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.124 1.150 25836
3830 1 16 . 1 1 22 22 CYS CA C 22 48.641 48.641 57.558 -8.917 25836
3831 1 16 . 1 1 22 22 CYS CB C 22 36.172 36.172 31.131 5.041 25836
3832 1 16 . 1 1 22 22 CYS H H 22 7.120 7.120 7.366 -0.246 25836
3833 1 16 . 1 1 23 23 CYS N N 23 124.612 124.612 119.960 4.652 25836
3834 1 16 . 1 1 23 23 CYS H H 23 11.256 11.256 8.687 2.569 25836
3835 1 16 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.286 -0.240 25836
3836 1 16 . 1 1 24 24 PRO CA C 24 63.522 63.522 64.690 -1.168 25836
3837 1 16 . 1 1 24 24 PRO CB C 24 37.298 37.298 32.010 5.288 25836
3838 1 16 . 1 1 25 25 GLU N N 25 114.549 114.549 114.761 -0.212 25836
3839 1 16 . 1 1 25 25 GLU HA H 25 4.355 4.355 4.423 -0.068 25836
3840 1 16 . 1 1 25 25 GLU CA C 25 54.444 54.444 55.757 -1.313 25836
3841 1 16 . 1 1 25 25 GLU CB C 25 25.751 25.751 29.303 -3.552 25836
3842 1 16 . 1 1 25 25 GLU H H 25 9.041 9.041 8.544 0.497 25836
3843 1 16 . 1 1 26 26 HIS N N 26 123.352 123.352 118.566 4.786 25836
3844 1 16 . 1 1 26 26 HIS HA H 26 5.408 5.408 5.457 -0.049 25836
3845 1 16 . 1 1 26 26 HIS CA C 26 50.399 50.399 55.391 -4.992 25836
3846 1 16 . 1 1 26 26 HIS CB C 26 33.143 33.143 33.418 -0.275 25836
3847 1 16 . 1 1 26 26 HIS H H 26 8.118 8.118 7.480 0.638 25836
3848 1 16 . 1 1 27 27 HIS N N 27 112.923 112.923 113.629 -0.706 25836
3849 1 16 . 1 1 27 27 HIS HA H 27 4.644 4.644 4.984 -0.340 25836
3850 1 16 . 1 1 27 27 HIS CA C 27 52.622 52.622 54.908 -2.286 25836
3851 1 16 . 1 1 27 27 HIS CB C 27 28.231 28.231 32.076 -3.845 25836
3852 1 16 . 1 1 27 27 HIS H H 27 9.365 9.365 9.379 -0.014 25836
3853 1 16 . 1 1 28 28 CYS N N 28 121.103 121.103 119.247 1.856 25836
3854 1 16 . 1 1 28 28 CYS HA H 28 4.803 4.803 4.974 -0.171 25836
3855 1 16 . 1 1 28 28 CYS CA C 28 52.733 52.733 59.283 -6.550 25836
3856 1 16 . 1 1 28 28 CYS CB C 28 34.784 34.784 27.620 7.163 25836
3857 1 16 . 1 1 28 28 CYS H H 28 9.499 9.499 8.922 0.577 25836
3858 1 16 . 1 1 29 29 HIS N N 29 132.381 132.381 123.781 8.600 25836
3859 1 16 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.719 -0.195 25836
3860 1 16 . 1 1 29 29 HIS CA C 29 53.855 53.855 55.187 -1.332 25836
3861 1 16 . 1 1 29 29 HIS CB C 29 28.973 28.973 31.233 -2.260 25836
3862 1 16 . 1 1 29 29 HIS H H 29 8.938 8.938 9.029 -0.091 25836
3863 1 16 . 1 1 30 30 CYS N N 30 127.165 127.165 129.036 -1.871 25836
3864 1 16 . 1 1 30 30 CYS HA H 30 5.146 5.146 5.206 -0.060 25836
3865 1 16 . 1 1 30 30 CYS CA C 30 48.824 48.824 56.163 -7.339 25836
3866 1 16 . 1 1 30 30 CYS CB C 30 41.470 41.470 25.976 15.494 25836
3867 1 16 . 1 1 30 30 CYS H H 30 8.400 8.400 8.766 -0.366 25836
3868 1 16 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.369 -0.093 25836
3869 1 16 . 1 1 31 31 PRO CA C 31 60.702 60.702 62.438 -1.736 25836
3870 1 16 . 1 1 31 31 PRO CB C 31 29.441 29.441 32.565 -3.124 25836
3871 1 16 . 1 1 32 32 ALA N N 32 122.630 122.630 120.298 2.332 25836
3872 1 16 . 1 1 32 32 ALA HA H 32 4.430 4.430 4.597 -0.167 25836
3873 1 16 . 1 1 32 32 ALA CA C 32 49.453 49.453 51.267 -1.814 25836
3874 1 16 . 1 1 32 32 ALA CB C 32 16.936 16.936 21.179 -4.243 25836
3875 1 16 . 1 1 32 32 ALA H H 32 8.367 8.367 7.898 0.469 25836
3876 1 16 . 1 1 33 33 GLY N N 33 107.375 107.375 110.443 -3.068 25836
3877 1 16 . 1 1 33 33 GLY CA C 33 42.443 42.443 45.311 -2.868 25836
3878 1 16 . 1 1 33 33 GLY H H 33 8.097 8.097 8.519 -0.422 25836
3879 1 16 . 1 1 34 34 LYS N N 34 119.653 119.653 122.236 -2.583 25836
3880 1 16 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.264 0.050 25836
3881 1 16 . 1 1 34 34 LYS CA C 34 61.156 61.156 56.725 4.431 25836
3882 1 16 . 1 1 34 34 LYS CB C 34 30.378 30.378 32.997 -2.619 25836
3883 1 16 . 1 1 34 34 LYS H H 34 7.852 7.852 8.409 -0.557 25836
3884 1 16 . 1 1 35 35 TRP N N 35 122.428 122.428 123.526 -1.098 25836
3885 1 16 . 1 1 35 35 TRP CB C 35 27.248 27.248 28.732 -1.484 25836
3886 1 16 . 1 1 35 35 TRP H H 35 8.130 8.130 8.779 -0.649 25836
3887 1 16 . 1 1 36 36 LEU N N 36 125.209 125.209 118.385 6.824 25836
3888 1 16 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.979 0.570 25836
3889 1 16 . 1 1 36 36 LEU CA C 36 50.156 50.156 55.215 -5.059 25836
3890 1 16 . 1 1 36 36 LEU CB C 36 40.225 40.225 40.877 -0.652 25836
3891 1 16 . 1 1 36 36 LEU H H 36 7.460 7.460 7.738 -0.278 25836
3892 1 16 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.576 -0.275 25836
3893 1 16 . 1 1 37 37 PRO CA C 37 56.645 56.645 62.545 -5.900 25836
3894 1 16 . 1 1 38 38 GLY N N 38 109.686 109.686 111.316 -1.630 25836
3895 1 16 . 1 1 38 38 GLY CA C 38 42.884 42.884 46.693 -3.808 25836
3896 1 16 . 1 1 38 38 GLY H H 38 8.480 8.480 8.763 -0.283 25836
3897 1 16 . 1 1 39 39 LEU N N 39 121.083 121.083 124.194 -3.111 25836
3898 1 16 . 1 1 39 39 LEU HA H 39 4.360 4.360 4.249 0.111 25836
3899 1 16 . 1 1 39 39 LEU CA C 39 52.798 52.798 53.695 -0.897 25836
3900 1 16 . 1 1 39 39 LEU CB C 39 40.369 40.369 40.761 -0.392 25836
3901 1 16 . 1 1 39 39 LEU H H 39 7.847 7.847 7.960 -0.113 25836
3902 1 16 . 1 1 40 40 PHE N N 40 118.886 118.886 119.537 -0.651 25836
3903 1 16 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.777 -0.203 25836
3904 1 16 . 1 1 40 40 PHE CA C 40 54.489 54.489 57.017 -2.528 25836
3905 1 16 . 1 1 40 40 PHE CB C 40 37.271 37.271 39.603 -2.333 25836
3906 1 16 . 1 1 40 40 PHE H H 40 7.868 7.868 7.851 0.017 25836
3907 1 16 . 1 1 41 41 ARG N N 41 121.171 121.171 124.354 -3.183 25836
3908 1 16 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.550 -0.134 25836
3909 1 16 . 1 1 41 41 ARG CA C 41 52.974 52.974 54.043 -1.069 25836
3910 1 16 . 1 1 41 41 ARG CB C 41 29.148 29.148 31.630 -2.482 25836
3911 1 16 . 1 1 41 41 ARG H H 41 7.888 7.888 8.261 -0.373 25836
3912 1 16 . 1 1 42 42 CYS N N 42 123.035 123.035 117.346 5.689 25836
3913 1 16 . 1 1 42 42 CYS HA H 42 5.446 5.446 5.551 -0.105 25836
3914 1 16 . 1 1 42 42 CYS CA C 42 53.979 53.979 57.974 -3.995 25836
3915 1 16 . 1 1 42 42 CYS CB C 42 45.543 45.543 30.976 14.567 25836
3916 1 16 . 1 1 42 42 CYS H H 42 8.731 8.731 8.774 -0.043 25836
3917 1 16 . 1 1 43 43 THR N N 43 111.223 111.223 113.988 -2.765 25836
3918 1 16 . 1 1 43 43 THR HA H 43 5.402 5.402 4.901 0.501 25836
3919 1 16 . 1 1 43 43 THR CA C 43 57.581 57.581 60.984 -3.403 25836
3920 1 16 . 1 1 43 43 THR CB C 43 71.715 71.715 71.504 0.211 25836
3921 1 16 . 1 1 43 43 THR H H 43 8.659 8.659 8.445 0.214 25836
3922 1 16 . 1 1 44 44 CYS N N 44 120.754 120.754 124.231 -3.477 25836
3923 1 16 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.113 0.216 25836
3924 1 16 . 1 1 44 44 CYS CA C 44 52.398 52.398 58.964 -6.566 25836
3925 1 16 . 1 1 44 44 CYS CB C 44 36.766 36.766 27.647 9.119 25836
3926 1 16 . 1 1 44 44 CYS H H 44 8.404 8.404 8.670 -0.266 25836
3927 1 16 . 1 1 45 45 GLN N N 45 121.589 121.589 125.983 -4.394 25836
3928 1 16 . 1 1 45 45 GLN HA H 45 4.695 4.695 4.786 -0.091 25836
3929 1 16 . 1 1 45 45 GLN CA C 45 51.495 51.495 53.780 -2.285 25836
3930 1 16 . 1 1 45 45 GLN CB C 45 31.136 31.136 33.193 -2.057 25836
3931 1 16 . 1 1 45 45 GLN H H 45 9.247 9.247 9.004 0.243 25836
3932 1 16 . 1 1 46 46 VAL N N 46 119.594 119.594 121.117 -1.523 25836
3933 1 16 . 1 1 46 46 VAL HA H 46 4.149 4.149 3.172 0.977 25836
3934 1 16 . 1 1 46 46 VAL CA C 46 61.358 61.358 61.130 0.228 25836
3935 1 16 . 1 1 46 46 VAL CB C 46 29.629 29.629 32.873 -3.244 25836
3936 1 16 . 1 1 46 46 VAL H H 46 8.703 8.703 8.340 0.363 25836
3937 1 16 . 1 1 47 47 THR N N 47 118.278 118.278 120.688 -2.410 25836
3938 1 16 . 1 1 47 47 THR HA H 47 4.169 4.169 4.444 -0.276 25836
3939 1 16 . 1 1 47 47 THR CA C 47 59.491 59.491 60.899 -1.408 25836
3940 1 16 . 1 1 47 47 THR CB C 47 66.789 66.789 71.107 -4.318 25836
3941 1 16 . 1 1 47 47 THR H H 47 8.002 8.002 8.350 -0.348 25836
3942 1 16 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.363 0.099 25836
3943 1 16 . 1 1 49 49 SER N N 49 114.478 114.478 115.779 -1.301 25836
3944 1 16 . 1 1 49 49 SER HA H 49 4.291 4.291 4.353 -0.062 25836
3945 1 16 . 1 1 49 49 SER CA C 49 51.081 51.081 59.285 -8.204 25836
3946 1 16 . 1 1 49 49 SER CB C 49 60.846 60.846 63.890 -3.044 25836
3947 1 16 . 1 1 49 49 SER H H 49 8.304 8.304 7.694 0.610 25836
3948 1 16 . 1 1 50 50 ASP N N 50 118.750 118.750 118.695 0.055 25836
3949 1 16 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.663 -0.082 25836
3950 1 16 . 1 1 50 50 ASP CA C 50 51.426 51.426 54.746 -3.320 25836
3951 1 16 . 1 1 50 50 ASP CB C 50 37.727 37.727 40.560 -2.833 25836
3952 1 16 . 1 1 50 50 ASP H H 50 8.469 8.469 8.578 -0.109 25836
3953 1 16 . 1 1 51 51 LYS N N 51 120.789 120.789 120.336 0.453 25836
3954 1 16 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.436 0.023 25836
3955 1 16 . 1 1 51 51 LYS CA C 51 52.869 52.869 55.988 -3.119 25836
3956 1 16 . 1 1 51 51 LYS CB C 51 26.190 26.190 32.980 -6.790 25836
3957 1 16 . 1 1 51 51 LYS H H 51 7.824 7.824 7.840 -0.016 25836
3958 1 16 . 1 1 52 52 VAL N N 52 116.071 116.071 115.805 0.266 25836
3959 1 16 . 1 1 52 52 VAL HA H 52 4.303 4.303 4.032 0.271 25836
3960 1 16 . 1 1 52 52 VAL CA C 52 57.941 57.941 61.024 -3.083 25836
3961 1 16 . 1 1 52 52 VAL CB C 52 31.464 31.464 32.237 -0.773 25836
3962 1 16 . 1 1 52 52 VAL H H 52 7.653 7.653 7.310 0.343 25836
3963 1 16 . 1 1 53 53 ASN N N 53 123.498 123.498 119.225 4.273 25836
3964 1 16 . 1 1 53 53 ASN HA H 53 4.374 4.374 4.537 -0.163 25836
3965 1 16 . 1 1 53 53 ASN CA C 53 52.763 52.763 54.148 -1.385 25836
3966 1 16 . 1 1 53 53 ASN CB C 53 37.419 37.419 39.356 -1.938 25836
3967 1 16 . 1 1 53 53 ASN H H 53 8.495 8.495 8.378 0.117 25836
3968 1 16 . 1 1 54 54 LYS N N 54 127.289 127.289 119.825 7.464 25836
3969 1 16 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.418 -0.074 25836
3970 1 16 . 1 1 54 54 LYS CA C 54 53.397 53.397 55.941 -2.544 25836
3971 1 16 . 1 1 54 54 LYS CB C 54 29.422 29.422 32.427 -3.005 25836
3972 1 16 . 1 1 54 54 LYS H H 54 10.155 10.155 8.417 1.738 25836
3973 1 16 . 1 1 55 55 CYS N N 55 124.019 124.019 121.143 2.876 25836
3974 1 16 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.641 0.048 25836
3975 1 16 . 1 1 55 55 CYS CA C 55 52.235 52.235 57.873 -5.638 25836
3976 1 16 . 1 1 55 55 CYS CB C 55 40.134 40.134 26.970 13.164 25836
3977 1 16 . 1 1 55 55 CYS H H 55 8.698 8.698 8.140 0.558 25836
3978 1 16 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.344 0.245 25836
3979 1 16 . 1 1 57 57 PRO CB C 57 29.744 29.744 32.136 -2.392 25836
3980 1 16 . 1 1 58 58 ALA N N 58 123.825 123.825 120.895 2.930 25836
3981 1 16 . 1 1 58 58 ALA HA H 58 4.351 4.351 4.485 -0.134 25836
3982 1 16 . 1 1 58 58 ALA CA C 58 49.557 49.557 51.379 -1.822 25836
3983 1 16 . 1 1 58 58 ALA CB C 58 16.910 16.910 19.477 -2.567 25836
3984 1 16 . 1 1 58 58 ALA H H 58 8.426 8.426 8.180 0.246 25836
3985 1 17 . 1 1 2 2 THR N N 2 112.683 112.683 116.001 -3.318 25836
3986 1 17 . 1 1 2 2 THR HA H 2 4.483 4.483 4.767 -0.284 25836
3987 1 17 . 1 1 2 2 THR H H 2 8.031 8.031 8.470 -0.439 25836
3988 1 17 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.495 -0.183 25836
3989 1 17 . 1 1 3 3 PRO CA C 3 51.149 51.149 62.779 -11.630 25836
3990 1 17 . 1 1 3 3 PRO CB C 3 29.323 29.323 32.716 -3.393 25836
3991 1 17 . 1 1 4 4 VAL N N 4 120.622 120.622 119.871 0.751 25836
3992 1 17 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.356 -0.086 25836
3993 1 17 . 1 1 4 4 VAL CA C 4 58.505 58.505 61.559 -3.054 25836
3994 1 17 . 1 1 4 4 VAL CB C 4 31.307 31.307 33.810 -2.503 25836
3995 1 17 . 1 1 4 4 VAL H H 4 8.113 8.113 8.387 -0.274 25836
3996 1 17 . 1 1 5 5 GLY N N 5 115.132 115.132 113.303 1.829 25836
3997 1 17 . 1 1 5 5 GLY CA C 5 44.133 44.133 44.122 0.011 25836
3998 1 17 . 1 1 5 5 GLY H H 5 8.736 8.736 8.451 0.285 25836
3999 1 17 . 1 1 6 6 ASN N N 6 123.501 123.501 121.030 2.471 25836
4000 1 17 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.332 0.396 25836
4001 1 17 . 1 1 6 6 ASN CA C 6 50.698 50.698 55.277 -4.579 25836
4002 1 17 . 1 1 6 6 ASN CB C 6 36.797 36.797 38.704 -1.907 25836
4003 1 17 . 1 1 6 6 ASN H H 6 9.148 9.148 8.604 0.544 25836
4004 1 17 . 1 1 7 7 ASN N N 7 118.968 118.968 117.075 1.893 25836
4005 1 17 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.755 0.540 25836
4006 1 17 . 1 1 7 7 ASN CA C 7 51.671 51.671 53.698 -2.027 25836
4007 1 17 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.085 1.516 25836
4008 1 17 . 1 1 7 7 ASN H H 7 8.515 8.515 8.310 0.205 25836
4009 1 17 . 1 1 8 8 LYS N N 8 123.142 123.142 122.404 0.738 25836
4010 1 17 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.148 -0.339 25836
4011 1 17 . 1 1 8 8 LYS CA C 8 55.264 55.264 57.394 -2.130 25836
4012 1 17 . 1 1 8 8 LYS CB C 8 29.383 29.383 32.676 -3.293 25836
4013 1 17 . 1 1 8 8 LYS H H 8 9.294 9.294 8.612 0.682 25836
4014 1 17 . 1 1 9 9 CYS N N 9 111.161 111.161 119.432 -8.271 25836
4015 1 17 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.183 -0.113 25836
4016 1 17 . 1 1 9 9 CYS CA C 9 51.847 51.847 58.876 -7.029 25836
4017 1 17 . 1 1 9 9 CYS CB C 9 32.263 32.263 25.423 6.840 25836
4018 1 17 . 1 1 9 9 CYS H H 9 6.690 6.690 8.071 -1.381 25836
4019 1 17 . 1 1 10 10 TRP N N 10 119.159 119.159 126.979 -7.820 25836
4020 1 17 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.612 0.325 25836
4021 1 17 . 1 1 10 10 TRP CA C 10 53.032 53.032 57.482 -4.450 25836
4022 1 17 . 1 1 10 10 TRP CB C 10 26.379 26.379 30.923 -4.544 25836
4023 1 17 . 1 1 10 10 TRP H H 10 8.232 8.232 7.975 0.257 25836
4024 1 17 . 1 1 11 11 ALA N N 11 119.150 119.150 126.040 -6.890 25836
4025 1 17 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.168 0.184 25836
4026 1 17 . 1 1 11 11 ALA CA C 11 49.381 49.381 52.310 -2.929 25836
4027 1 17 . 1 1 11 11 ALA CB C 11 17.253 17.253 19.307 -2.054 25836
4028 1 17 . 1 1 11 11 ALA H H 11 8.159 8.159 8.187 -0.028 25836
4029 1 17 . 1 1 12 12 ILE N N 12 121.974 121.974 123.304 -1.330 25836
4030 1 17 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.922 -0.323 25836
4031 1 17 . 1 1 12 12 ILE CA C 12 59.657 59.657 63.095 -3.438 25836
4032 1 17 . 1 1 12 12 ILE CB C 12 34.763 34.763 36.614 -1.851 25836
4033 1 17 . 1 1 12 12 ILE H H 12 8.448 8.448 8.416 0.032 25836
4034 1 17 . 1 1 13 13 GLY N N 13 114.867 114.867 115.770 -0.903 25836
4035 1 17 . 1 1 13 13 GLY CA C 13 41.954 41.954 44.855 -2.901 25836
4036 1 17 . 1 1 13 13 GLY H H 13 9.649 9.649 8.705 0.944 25836
4037 1 17 . 1 1 14 14 THR N N 14 118.155 118.155 117.236 0.919 25836
4038 1 17 . 1 1 14 14 THR HA H 14 4.049 4.049 4.722 -0.673 25836
4039 1 17 . 1 1 14 14 THR CA C 14 61.464 61.464 60.120 1.344 25836
4040 1 17 . 1 1 14 14 THR CB C 14 67.426 67.426 70.171 -2.745 25836
4041 1 17 . 1 1 14 14 THR H H 14 8.076 8.076 8.010 0.066 25836
4042 1 17 . 1 1 15 15 THR N N 15 123.193 123.193 116.031 7.162 25836
4043 1 17 . 1 1 15 15 THR HA H 15 4.824 4.824 4.402 0.422 25836
4044 1 17 . 1 1 15 15 THR CA C 15 61.148 61.148 61.951 -0.803 25836
4045 1 17 . 1 1 15 15 THR CB C 15 66.798 66.798 69.044 -2.246 25836
4046 1 17 . 1 1 15 15 THR H H 15 8.498 8.498 8.312 0.186 25836
4047 1 17 . 1 1 16 16 CYS N N 16 119.932 119.932 117.466 2.466 25836
4048 1 17 . 1 1 16 16 CYS HA H 16 5.510 5.510 4.157 1.353 25836
4049 1 17 . 1 1 16 16 CYS CA C 16 50.274 50.274 56.545 -6.271 25836
4050 1 17 . 1 1 16 16 CYS CB C 16 45.557 45.557 30.279 15.278 25836
4051 1 17 . 1 1 16 16 CYS H H 16 8.384 8.384 7.920 0.464 25836
4052 1 17 . 1 1 17 17 SER N N 17 114.553 114.553 118.358 -3.805 25836
4053 1 17 . 1 1 17 17 SER HA H 17 4.676 4.676 4.635 0.041 25836
4054 1 17 . 1 1 17 17 SER CA C 17 56.391 56.391 57.665 -1.274 25836
4055 1 17 . 1 1 17 17 SER CB C 17 62.251 62.251 63.912 -1.661 25836
4056 1 17 . 1 1 17 17 SER H H 17 9.853 9.853 8.684 1.169 25836
4057 1 17 . 1 1 18 18 ASP N N 18 119.019 119.019 120.517 -1.498 25836
4058 1 17 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.267 0.363 25836
4059 1 17 . 1 1 18 18 ASP CA C 18 50.649 50.649 56.114 -5.465 25836
4060 1 17 . 1 1 18 18 ASP CB C 18 41.339 41.339 39.595 1.744 25836
4061 1 17 . 1 1 18 18 ASP H H 18 7.767 7.767 8.176 -0.409 25836
4062 1 17 . 1 1 19 19 ASP N N 19 121.627 121.627 119.725 1.902 25836
4063 1 17 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.341 -0.095 25836
4064 1 17 . 1 1 19 19 ASP CA C 19 55.706 55.706 55.205 0.501 25836
4065 1 17 . 1 1 19 19 ASP CB C 19 37.099 37.099 40.304 -3.205 25836
4066 1 17 . 1 1 19 19 ASP H H 19 8.916 8.916 8.531 0.385 25836
4067 1 17 . 1 1 20 20 CYS N N 20 117.427 117.427 115.488 1.939 25836
4068 1 17 . 1 1 20 20 CYS HA H 20 4.689 4.689 4.221 0.468 25836
4069 1 17 . 1 1 20 20 CYS CA C 20 52.798 52.798 59.191 -6.393 25836
4070 1 17 . 1 1 20 20 CYS CB C 20 36.331 36.331 25.689 10.642 25836
4071 1 17 . 1 1 20 20 CYS H H 20 9.308 9.308 8.579 0.729 25836
4072 1 17 . 1 1 21 21 ASP N N 21 120.031 120.031 120.186 -0.155 25836
4073 1 17 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.550 -0.822 25836
4074 1 17 . 1 1 21 21 ASP CA C 21 53.926 53.926 57.347 -3.421 25836
4075 1 17 . 1 1 21 21 ASP CB C 21 39.032 39.032 41.259 -2.227 25836
4076 1 17 . 1 1 21 21 ASP H H 21 7.897 7.897 7.695 0.202 25836
4077 1 17 . 1 1 22 22 CYS N N 22 112.949 112.949 115.652 -2.703 25836
4078 1 17 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.552 0.722 25836
4079 1 17 . 1 1 22 22 CYS CA C 22 48.641 48.641 60.352 -11.711 25836
4080 1 17 . 1 1 22 22 CYS CB C 22 36.172 36.172 27.762 8.409 25836
4081 1 17 . 1 1 22 22 CYS H H 22 7.120 7.120 8.446 -1.326 25836
4082 1 17 . 1 1 23 23 CYS N N 23 124.612 124.612 119.841 4.771 25836
4083 1 17 . 1 1 23 23 CYS H H 23 11.256 11.256 8.644 2.612 25836
4084 1 17 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.498 -0.452 25836
4085 1 17 . 1 1 24 24 PRO CA C 24 63.522 63.522 64.602 -1.080 25836
4086 1 17 . 1 1 24 24 PRO CB C 24 37.298 37.298 32.145 5.153 25836
4087 1 17 . 1 1 25 25 GLU N N 25 114.549 114.549 116.324 -1.775 25836
4088 1 17 . 1 1 25 25 GLU HA H 25 4.355 4.355 4.381 -0.026 25836
4089 1 17 . 1 1 25 25 GLU CA C 25 54.444 54.444 56.335 -1.891 25836
4090 1 17 . 1 1 25 25 GLU CB C 25 25.751 25.751 30.111 -4.360 25836
4091 1 17 . 1 1 25 25 GLU H H 25 9.041 9.041 8.721 0.320 25836
4092 1 17 . 1 1 26 26 HIS N N 26 123.352 123.352 116.406 6.946 25836
4093 1 17 . 1 1 26 26 HIS HA H 26 5.408 5.408 5.179 0.229 25836
4094 1 17 . 1 1 26 26 HIS CA C 26 50.399 50.399 55.244 -4.845 25836
4095 1 17 . 1 1 26 26 HIS CB C 26 33.143 33.143 33.559 -0.416 25836
4096 1 17 . 1 1 26 26 HIS H H 26 8.118 8.118 7.676 0.442 25836
4097 1 17 . 1 1 27 27 HIS N N 27 112.923 112.923 116.530 -3.607 25836
4098 1 17 . 1 1 27 27 HIS HA H 27 4.644 4.644 4.862 -0.218 25836
4099 1 17 . 1 1 27 27 HIS CA C 27 52.622 52.622 55.262 -2.640 25836
4100 1 17 . 1 1 27 27 HIS CB C 27 28.231 28.231 33.699 -5.468 25836
4101 1 17 . 1 1 27 27 HIS H H 27 9.365 9.365 9.022 0.343 25836
4102 1 17 . 1 1 28 28 CYS N N 28 121.103 121.103 120.830 0.273 25836
4103 1 17 . 1 1 28 28 CYS HA H 28 4.803 4.803 4.847 -0.044 25836
4104 1 17 . 1 1 28 28 CYS CA C 28 52.733 52.733 58.155 -5.422 25836
4105 1 17 . 1 1 28 28 CYS CB C 28 34.784 34.784 25.738 9.046 25836
4106 1 17 . 1 1 28 28 CYS H H 28 9.499 9.499 8.254 1.245 25836
4107 1 17 . 1 1 29 29 HIS N N 29 132.381 132.381 124.507 7.874 25836
4108 1 17 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.517 0.007 25836
4109 1 17 . 1 1 29 29 HIS CA C 29 53.855 53.855 56.543 -2.688 25836
4110 1 17 . 1 1 29 29 HIS CB C 29 28.973 28.973 31.535 -2.562 25836
4111 1 17 . 1 1 29 29 HIS H H 29 8.938 8.938 9.122 -0.184 25836
4112 1 17 . 1 1 30 30 CYS N N 30 127.165 127.165 127.197 -0.032 25836
4113 1 17 . 1 1 30 30 CYS HA H 30 5.146 5.146 4.848 0.298 25836
4114 1 17 . 1 1 30 30 CYS CA C 30 48.824 48.824 57.142 -8.318 25836
4115 1 17 . 1 1 30 30 CYS CB C 30 41.470 41.470 27.068 14.402 25836
4116 1 17 . 1 1 30 30 CYS H H 30 8.400 8.400 9.076 -0.676 25836
4117 1 17 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.540 -0.264 25836
4118 1 17 . 1 1 31 31 PRO CA C 31 60.702 60.702 62.884 -2.182 25836
4119 1 17 . 1 1 31 31 PRO CB C 31 29.441 29.441 32.903 -3.462 25836
4120 1 17 . 1 1 32 32 ALA N N 32 122.630 122.630 120.913 1.717 25836
4121 1 17 . 1 1 32 32 ALA HA H 32 4.430 4.430 4.623 -0.193 25836
4122 1 17 . 1 1 32 32 ALA CA C 32 49.453 49.453 51.873 -2.420 25836
4123 1 17 . 1 1 32 32 ALA CB C 32 16.936 16.936 21.194 -4.258 25836
4124 1 17 . 1 1 32 32 ALA H H 32 8.367 8.367 8.041 0.326 25836
4125 1 17 . 1 1 33 33 GLY N N 33 107.375 107.375 109.790 -2.415 25836
4126 1 17 . 1 1 33 33 GLY CA C 33 42.443 42.443 44.425 -1.982 25836
4127 1 17 . 1 1 33 33 GLY H H 33 8.097 8.097 8.383 -0.286 25836
4128 1 17 . 1 1 34 34 LYS N N 34 119.653 119.653 123.515 -3.862 25836
4129 1 17 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.082 0.232 25836
4130 1 17 . 1 1 34 34 LYS CA C 34 61.156 61.156 56.203 4.953 25836
4131 1 17 . 1 1 34 34 LYS CB C 34 30.378 30.378 32.950 -2.572 25836
4132 1 17 . 1 1 34 34 LYS H H 34 7.852 7.852 8.465 -0.613 25836
4133 1 17 . 1 1 35 35 TRP N N 35 122.428 122.428 121.256 1.172 25836
4134 1 17 . 1 1 35 35 TRP CB C 35 27.248 27.248 28.264 -1.016 25836
4135 1 17 . 1 1 35 35 TRP H H 35 8.130 8.130 8.189 -0.059 25836
4136 1 17 . 1 1 36 36 LEU N N 36 125.209 125.209 123.924 1.285 25836
4137 1 17 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.886 0.663 25836
4138 1 17 . 1 1 36 36 LEU CA C 36 50.156 50.156 54.994 -4.838 25836
4139 1 17 . 1 1 36 36 LEU CB C 36 40.225 40.225 41.325 -1.100 25836
4140 1 17 . 1 1 36 36 LEU H H 36 7.460 7.460 7.853 -0.393 25836
4141 1 17 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.428 -0.127 25836
4142 1 17 . 1 1 37 37 PRO CA C 37 56.645 56.645 62.702 -6.057 25836
4143 1 17 . 1 1 38 38 GLY N N 38 109.686 109.686 106.274 3.412 25836
4144 1 17 . 1 1 38 38 GLY CA C 38 42.884 42.884 44.879 -1.995 25836
4145 1 17 . 1 1 38 38 GLY H H 38 8.480 8.480 8.206 0.274 25836
4146 1 17 . 1 1 39 39 LEU N N 39 121.083 121.083 122.244 -1.161 25836
4147 1 17 . 1 1 39 39 LEU HA H 39 4.360 4.360 4.360 -0.000 25836
4148 1 17 . 1 1 39 39 LEU CA C 39 52.798 52.798 54.920 -2.122 25836
4149 1 17 . 1 1 39 39 LEU CB C 39 40.369 40.369 41.666 -1.297 25836
4150 1 17 . 1 1 39 39 LEU H H 39 7.847 7.847 7.962 -0.115 25836
4151 1 17 . 1 1 40 40 PHE N N 40 118.886 118.886 126.010 -7.124 25836
4152 1 17 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.485 0.089 25836
4153 1 17 . 1 1 40 40 PHE CA C 40 54.489 54.489 57.862 -3.373 25836
4154 1 17 . 1 1 40 40 PHE CB C 40 37.271 37.271 40.043 -2.772 25836
4155 1 17 . 1 1 40 40 PHE H H 40 7.868 7.868 8.496 -0.628 25836
4156 1 17 . 1 1 41 41 ARG N N 41 121.171 121.171 120.142 1.029 25836
4157 1 17 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.228 0.188 25836
4158 1 17 . 1 1 41 41 ARG CA C 41 52.974 52.974 56.106 -3.132 25836
4159 1 17 . 1 1 41 41 ARG CB C 41 29.148 29.148 31.264 -2.116 25836
4160 1 17 . 1 1 41 41 ARG H H 41 7.888 7.888 8.036 -0.148 25836
4161 1 17 . 1 1 42 42 CYS N N 42 123.035 123.035 116.405 6.630 25836
4162 1 17 . 1 1 42 42 CYS HA H 42 5.446 5.446 5.432 0.014 25836
4163 1 17 . 1 1 42 42 CYS CA C 42 53.979 53.979 57.565 -3.586 25836
4164 1 17 . 1 1 42 42 CYS CB C 42 45.543 45.543 29.550 15.992 25836
4165 1 17 . 1 1 42 42 CYS H H 42 8.731 8.731 8.527 0.204 25836
4166 1 17 . 1 1 43 43 THR N N 43 111.223 111.223 110.477 0.746 25836
4167 1 17 . 1 1 43 43 THR HA H 43 5.402 5.402 4.848 0.554 25836
4168 1 17 . 1 1 43 43 THR CA C 43 57.581 57.581 60.467 -2.886 25836
4169 1 17 . 1 1 43 43 THR CB C 43 71.715 71.715 71.425 0.290 25836
4170 1 17 . 1 1 43 43 THR H H 43 8.659 8.659 8.690 -0.031 25836
4171 1 17 . 1 1 44 44 CYS N N 44 120.754 120.754 124.399 -3.645 25836
4172 1 17 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.160 0.169 25836
4173 1 17 . 1 1 44 44 CYS CA C 44 52.398 52.398 59.640 -7.242 25836
4174 1 17 . 1 1 44 44 CYS CB C 44 36.766 36.766 25.603 11.163 25836
4175 1 17 . 1 1 44 44 CYS H H 44 8.404 8.404 8.912 -0.508 25836
4176 1 17 . 1 1 45 45 GLN N N 45 121.589 121.589 124.587 -2.998 25836
4177 1 17 . 1 1 45 45 GLN HA H 45 4.695 4.695 4.911 -0.216 25836
4178 1 17 . 1 1 45 45 GLN CA C 45 51.495 51.495 53.730 -2.235 25836
4179 1 17 . 1 1 45 45 GLN CB C 45 31.136 31.136 33.428 -2.292 25836
4180 1 17 . 1 1 45 45 GLN H H 45 9.247 9.247 9.062 0.185 25836
4181 1 17 . 1 1 46 46 VAL N N 46 119.594 119.594 122.230 -2.636 25836
4182 1 17 . 1 1 46 46 VAL HA H 46 4.149 4.149 3.629 0.520 25836
4183 1 17 . 1 1 46 46 VAL CA C 46 61.358 61.358 63.272 -1.914 25836
4184 1 17 . 1 1 46 46 VAL CB C 46 29.629 29.629 32.438 -2.809 25836
4185 1 17 . 1 1 46 46 VAL H H 46 8.703 8.703 8.687 0.016 25836
4186 1 17 . 1 1 47 47 THR N N 47 118.278 118.278 120.788 -2.510 25836
4187 1 17 . 1 1 47 47 THR HA H 47 4.169 4.169 4.631 -0.462 25836
4188 1 17 . 1 1 47 47 THR CA C 47 59.491 59.491 59.910 -0.419 25836
4189 1 17 . 1 1 47 47 THR CB C 47 66.789 66.789 71.072 -4.283 25836
4190 1 17 . 1 1 47 47 THR H H 47 8.002 8.002 8.303 -0.301 25836
4191 1 17 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.472 -0.010 25836
4192 1 17 . 1 1 49 49 SER N N 49 114.478 114.478 117.188 -2.710 25836
4193 1 17 . 1 1 49 49 SER HA H 49 4.291 4.291 4.278 0.013 25836
4194 1 17 . 1 1 49 49 SER CA C 49 51.081 51.081 58.598 -7.517 25836
4195 1 17 . 1 1 49 49 SER CB C 49 60.846 60.846 63.958 -3.112 25836
4196 1 17 . 1 1 49 49 SER H H 49 8.304 8.304 8.004 0.300 25836
4197 1 17 . 1 1 50 50 ASP N N 50 118.750 118.750 119.865 -1.115 25836
4198 1 17 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.599 -0.018 25836
4199 1 17 . 1 1 50 50 ASP CA C 50 51.426 51.426 55.010 -3.584 25836
4200 1 17 . 1 1 50 50 ASP CB C 50 37.727 37.727 40.820 -3.093 25836
4201 1 17 . 1 1 50 50 ASP H H 50 8.469 8.469 8.692 -0.223 25836
4202 1 17 . 1 1 51 51 LYS N N 51 120.789 120.789 119.358 1.431 25836
4203 1 17 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.385 0.074 25836
4204 1 17 . 1 1 51 51 LYS CA C 51 52.869 52.869 56.142 -3.273 25836
4205 1 17 . 1 1 51 51 LYS CB C 51 26.190 26.190 32.028 -5.838 25836
4206 1 17 . 1 1 51 51 LYS H H 51 7.824 7.824 8.022 -0.198 25836
4207 1 17 . 1 1 52 52 VAL N N 52 116.071 116.071 113.414 2.657 25836
4208 1 17 . 1 1 52 52 VAL HA H 52 4.303 4.303 3.609 0.694 25836
4209 1 17 . 1 1 52 52 VAL CA C 52 57.941 57.941 58.813 -0.872 25836
4210 1 17 . 1 1 52 52 VAL CB C 52 31.464 31.464 33.141 -1.677 25836
4211 1 17 . 1 1 52 52 VAL H H 52 7.653 7.653 7.032 0.621 25836
4212 1 17 . 1 1 53 53 ASN N N 53 123.498 123.498 117.356 6.142 25836
4213 1 17 . 1 1 53 53 ASN HA H 53 4.374 4.374 4.449 -0.075 25836
4214 1 17 . 1 1 53 53 ASN CA C 53 52.763 52.763 54.304 -1.541 25836
4215 1 17 . 1 1 53 53 ASN CB C 53 37.419 37.419 38.054 -0.635 25836
4216 1 17 . 1 1 53 53 ASN H H 53 8.495 8.495 7.639 0.856 25836
4217 1 17 . 1 1 54 54 LYS N N 54 127.289 127.289 121.510 5.779 25836
4218 1 17 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.373 -0.029 25836
4219 1 17 . 1 1 54 54 LYS CA C 54 53.397 53.397 54.785 -1.388 25836
4220 1 17 . 1 1 54 54 LYS CB C 54 29.422 29.422 31.048 -1.626 25836
4221 1 17 . 1 1 54 54 LYS H H 54 10.155 10.155 8.030 2.125 25836
4222 1 17 . 1 1 55 55 CYS N N 55 124.019 124.019 124.143 -0.124 25836
4223 1 17 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.396 0.293 25836
4224 1 17 . 1 1 55 55 CYS CA C 55 52.235 52.235 58.231 -5.996 25836
4225 1 17 . 1 1 55 55 CYS CB C 55 40.134 40.134 25.804 14.330 25836
4226 1 17 . 1 1 55 55 CYS H H 55 8.698 8.698 7.995 0.703 25836
4227 1 17 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.419 0.170 25836
4228 1 17 . 1 1 57 57 PRO CB C 57 29.744 29.744 32.331 -2.587 25836
4229 1 17 . 1 1 58 58 ALA N N 58 123.825 123.825 121.984 1.841 25836
4230 1 17 . 1 1 58 58 ALA HA H 58 4.351 4.351 4.655 -0.304 25836
4231 1 17 . 1 1 58 58 ALA CA C 58 49.557 49.557 50.867 -1.310 25836
4232 1 17 . 1 1 58 58 ALA CB C 58 16.910 16.910 19.500 -2.591 25836
4233 1 17 . 1 1 58 58 ALA H H 58 8.426 8.426 7.723 0.703 25836
4234 1 18 . 1 1 2 2 THR N N 2 112.683 112.683 117.431 -4.748 25836
4235 1 18 . 1 1 2 2 THR HA H 2 4.483 4.483 4.693 -0.210 25836
4236 1 18 . 1 1 2 2 THR H H 2 8.031 8.031 8.311 -0.280 25836
4237 1 18 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.581 -0.269 25836
4238 1 18 . 1 1 3 3 PRO CA C 3 51.149 51.149 62.484 -11.335 25836
4239 1 18 . 1 1 3 3 PRO CB C 3 29.323 29.323 32.616 -3.293 25836
4240 1 18 . 1 1 4 4 VAL N N 4 120.622 120.622 119.593 1.029 25836
4241 1 18 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.195 0.075 25836
4242 1 18 . 1 1 4 4 VAL CA C 4 58.505 58.505 62.079 -3.574 25836
4243 1 18 . 1 1 4 4 VAL CB C 4 31.307 31.307 32.475 -1.168 25836
4244 1 18 . 1 1 4 4 VAL H H 4 8.113 8.113 8.296 -0.183 25836
4245 1 18 . 1 1 5 5 GLY N N 5 115.132 115.132 115.405 -0.273 25836
4246 1 18 . 1 1 5 5 GLY CA C 5 44.133 44.133 44.830 -0.697 25836
4247 1 18 . 1 1 5 5 GLY H H 5 8.736 8.736 8.622 0.114 25836
4248 1 18 . 1 1 6 6 ASN N N 6 123.501 123.501 119.620 3.881 25836
4249 1 18 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.676 0.052 25836
4250 1 18 . 1 1 6 6 ASN CA C 6 50.698 50.698 53.539 -2.841 25836
4251 1 18 . 1 1 6 6 ASN CB C 6 36.797 36.797 39.769 -2.972 25836
4252 1 18 . 1 1 6 6 ASN H H 6 9.148 9.148 8.931 0.217 25836
4253 1 18 . 1 1 7 7 ASN N N 7 118.968 118.968 118.746 0.222 25836
4254 1 18 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.718 0.577 25836
4255 1 18 . 1 1 7 7 ASN CA C 7 51.671 51.671 54.058 -2.387 25836
4256 1 18 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.342 1.259 25836
4257 1 18 . 1 1 7 7 ASN H H 7 8.515 8.515 8.381 0.134 25836
4258 1 18 . 1 1 8 8 LYS N N 8 123.142 123.142 121.634 1.508 25836
4259 1 18 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.223 -0.414 25836
4260 1 18 . 1 1 8 8 LYS CA C 8 55.264 55.264 56.480 -1.216 25836
4261 1 18 . 1 1 8 8 LYS CB C 8 29.383 29.383 32.383 -3.000 25836
4262 1 18 . 1 1 8 8 LYS H H 8 9.294 9.294 8.529 0.765 25836
4263 1 18 . 1 1 9 9 CYS N N 9 111.161 111.161 119.196 -8.035 25836
4264 1 18 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.275 -0.205 25836
4265 1 18 . 1 1 9 9 CYS CA C 9 51.847 51.847 59.332 -7.485 25836
4266 1 18 . 1 1 9 9 CYS CB C 9 32.263 32.263 25.151 7.112 25836
4267 1 18 . 1 1 9 9 CYS H H 9 6.690 6.690 8.165 -1.475 25836
4268 1 18 . 1 1 10 10 TRP N N 10 119.159 119.159 126.221 -7.062 25836
4269 1 18 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.440 0.497 25836
4270 1 18 . 1 1 10 10 TRP CA C 10 53.032 53.032 58.185 -5.153 25836
4271 1 18 . 1 1 10 10 TRP CB C 10 26.379 26.379 30.534 -4.154 25836
4272 1 18 . 1 1 10 10 TRP H H 10 8.232 8.232 8.147 0.085 25836
4273 1 18 . 1 1 11 11 ALA N N 11 119.150 119.150 122.773 -3.623 25836
4274 1 18 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.359 -0.007 25836
4275 1 18 . 1 1 11 11 ALA CA C 11 49.381 49.381 51.835 -2.454 25836
4276 1 18 . 1 1 11 11 ALA CB C 11 17.253 17.253 19.620 -2.367 25836
4277 1 18 . 1 1 11 11 ALA H H 11 8.159 8.159 8.697 -0.538 25836
4278 1 18 . 1 1 12 12 ILE N N 12 121.974 121.974 123.915 -1.941 25836
4279 1 18 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.720 -0.121 25836
4280 1 18 . 1 1 12 12 ILE CA C 12 59.657 59.657 61.772 -2.115 25836
4281 1 18 . 1 1 12 12 ILE CB C 12 34.763 34.763 35.685 -0.922 25836
4282 1 18 . 1 1 12 12 ILE H H 12 8.448 8.448 8.684 -0.236 25836
4283 1 18 . 1 1 13 13 GLY N N 13 114.867 114.867 117.143 -2.276 25836
4284 1 18 . 1 1 13 13 GLY CA C 13 41.954 41.954 45.028 -3.074 25836
4285 1 18 . 1 1 13 13 GLY H H 13 9.649 9.649 8.810 0.839 25836
4286 1 18 . 1 1 14 14 THR N N 14 118.155 118.155 117.075 1.080 25836
4287 1 18 . 1 1 14 14 THR HA H 14 4.049 4.049 4.593 -0.544 25836
4288 1 18 . 1 1 14 14 THR CA C 14 61.464 61.464 60.847 0.617 25836
4289 1 18 . 1 1 14 14 THR CB C 14 67.426 67.426 69.983 -2.557 25836
4290 1 18 . 1 1 14 14 THR H H 14 8.076 8.076 7.938 0.138 25836
4291 1 18 . 1 1 15 15 THR N N 15 123.193 123.193 114.670 8.523 25836
4292 1 18 . 1 1 15 15 THR HA H 15 4.824 4.824 4.425 0.399 25836
4293 1 18 . 1 1 15 15 THR CA C 15 61.148 61.148 62.097 -0.949 25836
4294 1 18 . 1 1 15 15 THR CB C 15 66.798 66.798 69.449 -2.651 25836
4295 1 18 . 1 1 15 15 THR H H 15 8.498 8.498 8.071 0.427 25836
4296 1 18 . 1 1 16 16 CYS N N 16 119.932 119.932 122.848 -2.916 25836
4297 1 18 . 1 1 16 16 CYS HA H 16 5.510 5.510 4.328 1.182 25836
4298 1 18 . 1 1 16 16 CYS CA C 16 50.274 50.274 57.886 -7.612 25836
4299 1 18 . 1 1 16 16 CYS CB C 16 45.557 45.557 28.560 16.997 25836
4300 1 18 . 1 1 16 16 CYS H H 16 8.384 8.384 8.497 -0.113 25836
4301 1 18 . 1 1 17 17 SER N N 17 114.553 114.553 115.625 -1.072 25836
4302 1 18 . 1 1 17 17 SER HA H 17 4.676 4.676 4.392 0.284 25836
4303 1 18 . 1 1 17 17 SER CA C 17 56.391 56.391 58.049 -1.658 25836
4304 1 18 . 1 1 17 17 SER CB C 17 62.251 62.251 63.097 -0.846 25836
4305 1 18 . 1 1 17 17 SER H H 17 9.853 9.853 8.277 1.576 25836
4306 1 18 . 1 1 18 18 ASP N N 18 119.019 119.019 122.106 -3.087 25836
4307 1 18 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.286 0.344 25836
4308 1 18 . 1 1 18 18 ASP CA C 18 50.649 50.649 55.526 -4.877 25836
4309 1 18 . 1 1 18 18 ASP CB C 18 41.339 41.339 40.906 0.433 25836
4310 1 18 . 1 1 18 18 ASP H H 18 7.767 7.767 7.769 -0.002 25836
4311 1 18 . 1 1 19 19 ASP N N 19 121.627 121.627 117.779 3.848 25836
4312 1 18 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.325 -0.079 25836
4313 1 18 . 1 1 19 19 ASP CA C 19 55.706 55.706 55.545 0.161 25836
4314 1 18 . 1 1 19 19 ASP CB C 19 37.099 37.099 39.968 -2.869 25836
4315 1 18 . 1 1 19 19 ASP H H 19 8.916 8.916 8.798 0.118 25836
4316 1 18 . 1 1 20 20 CYS N N 20 117.427 117.427 114.016 3.411 25836
4317 1 18 . 1 1 20 20 CYS HA H 20 4.689 4.689 4.020 0.669 25836
4318 1 18 . 1 1 20 20 CYS CA C 20 52.798 52.798 60.106 -7.308 25836
4319 1 18 . 1 1 20 20 CYS CB C 20 36.331 36.331 26.146 10.185 25836
4320 1 18 . 1 1 20 20 CYS H H 20 9.308 9.308 8.769 0.539 25836
4321 1 18 . 1 1 21 21 ASP N N 21 120.031 120.031 120.181 -0.150 25836
4322 1 18 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.580 -0.852 25836
4323 1 18 . 1 1 21 21 ASP CA C 21 53.926 53.926 57.761 -3.835 25836
4324 1 18 . 1 1 21 21 ASP CB C 21 39.032 39.032 40.897 -1.865 25836
4325 1 18 . 1 1 21 21 ASP H H 21 7.897 7.897 8.107 -0.210 25836
4326 1 18 . 1 1 22 22 CYS N N 22 112.949 112.949 116.161 -3.212 25836
4327 1 18 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.610 0.664 25836
4328 1 18 . 1 1 22 22 CYS CA C 22 48.641 48.641 58.120 -9.479 25836
4329 1 18 . 1 1 22 22 CYS CB C 22 36.172 36.172 28.155 8.017 25836
4330 1 18 . 1 1 22 22 CYS H H 22 7.120 7.120 8.016 -0.896 25836
4331 1 18 . 1 1 23 23 CYS N N 23 124.612 124.612 122.203 2.409 25836
4332 1 18 . 1 1 23 23 CYS H H 23 11.256 11.256 8.630 2.626 25836
4333 1 18 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.738 -0.692 25836
4334 1 18 . 1 1 24 24 PRO CA C 24 63.522 63.522 65.224 -1.702 25836
4335 1 18 . 1 1 24 24 PRO CB C 24 37.298 37.298 31.983 5.315 25836
4336 1 18 . 1 1 25 25 GLU N N 25 114.549 114.549 115.748 -1.199 25836
4337 1 18 . 1 1 25 25 GLU HA H 25 4.355 4.355 4.101 0.254 25836
4338 1 18 . 1 1 25 25 GLU CA C 25 54.444 54.444 58.389 -3.945 25836
4339 1 18 . 1 1 25 25 GLU CB C 25 25.751 25.751 29.553 -3.802 25836
4340 1 18 . 1 1 25 25 GLU H H 25 9.041 9.041 8.920 0.121 25836
4341 1 18 . 1 1 26 26 HIS N N 26 123.352 123.352 114.136 9.216 25836
4342 1 18 . 1 1 26 26 HIS HA H 26 5.408 5.408 4.874 0.534 25836
4343 1 18 . 1 1 26 26 HIS CA C 26 50.399 50.399 55.927 -5.528 25836
4344 1 18 . 1 1 26 26 HIS CB C 26 33.143 33.143 32.132 1.011 25836
4345 1 18 . 1 1 26 26 HIS H H 26 8.118 8.118 7.823 0.295 25836
4346 1 18 . 1 1 27 27 HIS N N 27 112.923 112.923 117.123 -4.200 25836
4347 1 18 . 1 1 27 27 HIS HA H 27 4.644 4.644 4.898 -0.254 25836
4348 1 18 . 1 1 27 27 HIS CA C 27 52.622 52.622 54.550 -1.929 25836
4349 1 18 . 1 1 27 27 HIS CB C 27 28.231 28.231 33.865 -5.634 25836
4350 1 18 . 1 1 27 27 HIS H H 27 9.365 9.365 9.061 0.304 25836
4351 1 18 . 1 1 28 28 CYS N N 28 121.103 121.103 120.703 0.400 25836
4352 1 18 . 1 1 28 28 CYS HA H 28 4.803 4.803 4.780 0.023 25836
4353 1 18 . 1 1 28 28 CYS CA C 28 52.733 52.733 57.812 -5.080 25836
4354 1 18 . 1 1 28 28 CYS CB C 28 34.784 34.784 26.519 8.265 25836
4355 1 18 . 1 1 28 28 CYS H H 28 9.499 9.499 7.965 1.534 25836
4356 1 18 . 1 1 29 29 HIS N N 29 132.381 132.381 126.112 6.269 25836
4357 1 18 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.574 -0.050 25836
4358 1 18 . 1 1 29 29 HIS CA C 29 53.855 53.855 56.518 -2.663 25836
4359 1 18 . 1 1 29 29 HIS CB C 29 28.973 28.973 31.441 -2.467 25836
4360 1 18 . 1 1 29 29 HIS H H 29 8.938 8.938 9.113 -0.175 25836
4361 1 18 . 1 1 30 30 CYS N N 30 127.165 127.165 126.790 0.375 25836
4362 1 18 . 1 1 30 30 CYS HA H 30 5.146 5.146 4.745 0.401 25836
4363 1 18 . 1 1 30 30 CYS CA C 30 48.824 48.824 57.096 -8.271 25836
4364 1 18 . 1 1 30 30 CYS CB C 30 41.470 41.470 28.326 13.144 25836
4365 1 18 . 1 1 30 30 CYS H H 30 8.400 8.400 9.049 -0.649 25836
4366 1 18 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.428 -0.152 25836
4367 1 18 . 1 1 31 31 PRO CA C 31 60.702 60.702 62.882 -2.180 25836
4368 1 18 . 1 1 31 31 PRO CB C 31 29.441 29.441 29.882 -0.441 25836
4369 1 18 . 1 1 32 32 ALA N N 32 122.630 122.630 122.545 0.085 25836
4370 1 18 . 1 1 32 32 ALA HA H 32 4.430 4.430 4.908 -0.478 25836
4371 1 18 . 1 1 32 32 ALA CA C 32 49.453 49.453 52.070 -2.617 25836
4372 1 18 . 1 1 32 32 ALA CB C 32 16.936 16.936 19.928 -2.992 25836
4373 1 18 . 1 1 32 32 ALA H H 32 8.367 8.367 7.983 0.384 25836
4374 1 18 . 1 1 33 33 GLY N N 33 107.375 107.375 110.544 -3.169 25836
4375 1 18 . 1 1 33 33 GLY CA C 33 42.443 42.443 44.261 -1.818 25836
4376 1 18 . 1 1 33 33 GLY H H 33 8.097 8.097 8.240 -0.143 25836
4377 1 18 . 1 1 34 34 LYS N N 34 119.653 119.653 120.798 -1.145 25836
4378 1 18 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.160 0.154 25836
4379 1 18 . 1 1 34 34 LYS CA C 34 61.156 61.156 56.378 4.778 25836
4380 1 18 . 1 1 34 34 LYS CB C 34 30.378 30.378 33.254 -2.876 25836
4381 1 18 . 1 1 34 34 LYS H H 34 7.852 7.852 8.331 -0.479 25836
4382 1 18 . 1 1 35 35 TRP N N 35 122.428 122.428 121.921 0.507 25836
4383 1 18 . 1 1 35 35 TRP CB C 35 27.248 27.248 28.776 -1.528 25836
4384 1 18 . 1 1 35 35 TRP H H 35 8.130 8.130 8.305 -0.175 25836
4385 1 18 . 1 1 36 36 LEU N N 36 125.209 125.209 125.248 -0.039 25836
4386 1 18 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.739 0.810 25836
4387 1 18 . 1 1 36 36 LEU CA C 36 50.156 50.156 54.811 -4.655 25836
4388 1 18 . 1 1 36 36 LEU CB C 36 40.225 40.225 41.239 -1.014 25836
4389 1 18 . 1 1 36 36 LEU H H 36 7.460 7.460 7.889 -0.429 25836
4390 1 18 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.425 -0.124 25836
4391 1 18 . 1 1 37 37 PRO CA C 37 56.645 56.645 62.862 -6.217 25836
4392 1 18 . 1 1 38 38 GLY N N 38 109.686 109.686 107.698 1.988 25836
4393 1 18 . 1 1 38 38 GLY CA C 38 42.884 42.884 44.641 -1.757 25836
4394 1 18 . 1 1 38 38 GLY H H 38 8.480 8.480 8.224 0.256 25836
4395 1 18 . 1 1 39 39 LEU N N 39 121.083 121.083 123.000 -1.917 25836
4396 1 18 . 1 1 39 39 LEU HA H 39 4.360 4.360 4.339 0.021 25836
4397 1 18 . 1 1 39 39 LEU CA C 39 52.798 52.798 54.924 -2.126 25836
4398 1 18 . 1 1 39 39 LEU CB C 39 40.369 40.369 43.269 -2.900 25836
4399 1 18 . 1 1 39 39 LEU H H 39 7.847 7.847 8.031 -0.184 25836
4400 1 18 . 1 1 40 40 PHE N N 40 118.886 118.886 119.044 -0.158 25836
4401 1 18 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.483 0.091 25836
4402 1 18 . 1 1 40 40 PHE CA C 40 54.489 54.489 58.882 -4.393 25836
4403 1 18 . 1 1 40 40 PHE CB C 40 37.271 37.271 38.623 -1.351 25836
4404 1 18 . 1 1 40 40 PHE H H 40 7.868 7.868 8.455 -0.587 25836
4405 1 18 . 1 1 41 41 ARG N N 41 121.171 121.171 119.730 1.441 25836
4406 1 18 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.315 0.101 25836
4407 1 18 . 1 1 41 41 ARG CA C 41 52.974 52.974 56.050 -3.076 25836
4408 1 18 . 1 1 41 41 ARG CB C 41 29.148 29.148 30.538 -1.389 25836
4409 1 18 . 1 1 41 41 ARG H H 41 7.888 7.888 7.964 -0.076 25836
4410 1 18 . 1 1 42 42 CYS N N 42 123.035 123.035 119.844 3.191 25836
4411 1 18 . 1 1 42 42 CYS HA H 42 5.446 5.446 5.498 -0.052 25836
4412 1 18 . 1 1 42 42 CYS CA C 42 53.979 53.979 57.218 -3.239 25836
4413 1 18 . 1 1 42 42 CYS CB C 42 45.543 45.543 31.407 14.136 25836
4414 1 18 . 1 1 42 42 CYS H H 42 8.731 8.731 8.329 0.402 25836
4415 1 18 . 1 1 43 43 THR N N 43 111.223 111.223 112.312 -1.089 25836
4416 1 18 . 1 1 43 43 THR HA H 43 5.402 5.402 4.839 0.563 25836
4417 1 18 . 1 1 43 43 THR CA C 43 57.581 57.581 60.654 -3.073 25836
4418 1 18 . 1 1 43 43 THR CB C 43 71.715 71.715 71.367 0.348 25836
4419 1 18 . 1 1 43 43 THR H H 43 8.659 8.659 8.721 -0.062 25836
4420 1 18 . 1 1 44 44 CYS N N 44 120.754 120.754 124.161 -3.407 25836
4421 1 18 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.240 0.089 25836
4422 1 18 . 1 1 44 44 CYS CA C 44 52.398 52.398 59.482 -7.084 25836
4423 1 18 . 1 1 44 44 CYS CB C 44 36.766 36.766 26.770 9.996 25836
4424 1 18 . 1 1 44 44 CYS H H 44 8.404 8.404 8.813 -0.409 25836
4425 1 18 . 1 1 45 45 GLN N N 45 121.589 121.589 124.953 -3.364 25836
4426 1 18 . 1 1 45 45 GLN HA H 45 4.695 4.695 4.919 -0.224 25836
4427 1 18 . 1 1 45 45 GLN CA C 45 51.495 51.495 53.612 -2.117 25836
4428 1 18 . 1 1 45 45 GLN CB C 45 31.136 31.136 33.437 -2.301 25836
4429 1 18 . 1 1 45 45 GLN H H 45 9.247 9.247 9.082 0.165 25836
4430 1 18 . 1 1 46 46 VAL N N 46 119.594 119.594 123.630 -4.036 25836
4431 1 18 . 1 1 46 46 VAL HA H 46 4.149 4.149 3.627 0.522 25836
4432 1 18 . 1 1 46 46 VAL CA C 46 61.358 61.358 63.359 -2.001 25836
4433 1 18 . 1 1 46 46 VAL CB C 46 29.629 29.629 32.077 -2.448 25836
4434 1 18 . 1 1 46 46 VAL H H 46 8.703 8.703 8.677 0.026 25836
4435 1 18 . 1 1 47 47 THR N N 47 118.278 118.278 120.956 -2.678 25836
4436 1 18 . 1 1 47 47 THR HA H 47 4.169 4.169 4.567 -0.398 25836
4437 1 18 . 1 1 47 47 THR CA C 47 59.491 59.491 60.484 -0.993 25836
4438 1 18 . 1 1 47 47 THR CB C 47 66.789 66.789 70.348 -3.559 25836
4439 1 18 . 1 1 47 47 THR H H 47 8.002 8.002 8.375 -0.373 25836
4440 1 18 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.431 0.031 25836
4441 1 18 . 1 1 49 49 SER N N 49 114.478 114.478 115.663 -1.185 25836
4442 1 18 . 1 1 49 49 SER HA H 49 4.291 4.291 4.338 -0.047 25836
4443 1 18 . 1 1 49 49 SER CA C 49 51.081 51.081 58.562 -7.481 25836
4444 1 18 . 1 1 49 49 SER CB C 49 60.846 60.846 63.812 -2.966 25836
4445 1 18 . 1 1 49 49 SER H H 49 8.304 8.304 7.987 0.317 25836
4446 1 18 . 1 1 50 50 ASP N N 50 118.750 118.750 121.113 -2.363 25836
4447 1 18 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.635 -0.054 25836
4448 1 18 . 1 1 50 50 ASP CA C 50 51.426 51.426 54.420 -2.994 25836
4449 1 18 . 1 1 50 50 ASP CB C 50 37.727 37.727 40.117 -2.390 25836
4450 1 18 . 1 1 50 50 ASP H H 50 8.469 8.469 8.541 -0.072 25836
4451 1 18 . 1 1 51 51 LYS N N 51 120.789 120.789 120.949 -0.160 25836
4452 1 18 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.446 0.013 25836
4453 1 18 . 1 1 51 51 LYS CA C 51 52.869 52.869 55.258 -2.389 25836
4454 1 18 . 1 1 51 51 LYS CB C 51 26.190 26.190 32.809 -6.619 25836
4455 1 18 . 1 1 51 51 LYS H H 51 7.824 7.824 7.360 0.464 25836
4456 1 18 . 1 1 52 52 VAL N N 52 116.071 116.071 117.804 -1.733 25836
4457 1 18 . 1 1 52 52 VAL HA H 52 4.303 4.303 4.097 0.206 25836
4458 1 18 . 1 1 52 52 VAL CA C 52 57.941 57.941 59.155 -1.214 25836
4459 1 18 . 1 1 52 52 VAL CB C 52 31.464 31.464 35.179 -3.715 25836
4460 1 18 . 1 1 52 52 VAL H H 52 7.653 7.653 7.990 -0.337 25836
4461 1 18 . 1 1 53 53 ASN N N 53 123.498 123.498 120.540 2.958 25836
4462 1 18 . 1 1 53 53 ASN HA H 53 4.374 4.374 4.805 -0.431 25836
4463 1 18 . 1 1 53 53 ASN CA C 53 52.763 52.763 53.005 -0.242 25836
4464 1 18 . 1 1 53 53 ASN CB C 53 37.419 37.419 39.074 -1.655 25836
4465 1 18 . 1 1 53 53 ASN H H 53 8.495 8.495 8.699 -0.204 25836
4466 1 18 . 1 1 54 54 LYS N N 54 127.289 127.289 119.615 7.674 25836
4467 1 18 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.144 0.200 25836
4468 1 18 . 1 1 54 54 LYS CA C 54 53.397 53.397 58.332 -4.935 25836
4469 1 18 . 1 1 54 54 LYS CB C 54 29.422 29.422 32.509 -3.087 25836
4470 1 18 . 1 1 54 54 LYS H H 54 10.155 10.155 8.511 1.644 25836
4471 1 18 . 1 1 55 55 CYS N N 55 124.019 124.019 117.925 6.094 25836
4472 1 18 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.569 0.120 25836
4473 1 18 . 1 1 55 55 CYS CA C 55 52.235 52.235 57.675 -5.440 25836
4474 1 18 . 1 1 55 55 CYS CB C 55 40.134 40.134 26.807 13.327 25836
4475 1 18 . 1 1 55 55 CYS H H 55 8.698 8.698 8.012 0.686 25836
4476 1 18 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.371 0.218 25836
4477 1 18 . 1 1 57 57 PRO CB C 57 29.744 29.744 32.245 -2.501 25836
4478 1 18 . 1 1 58 58 ALA N N 58 123.825 123.825 119.053 4.772 25836
4479 1 18 . 1 1 58 58 ALA HA H 58 4.351 4.351 4.488 -0.137 25836
4480 1 18 . 1 1 58 58 ALA CA C 58 49.557 49.557 51.587 -2.030 25836
4481 1 18 . 1 1 58 58 ALA CB C 58 16.910 16.910 19.430 -2.519 25836
4482 1 18 . 1 1 58 58 ALA H H 58 8.426 8.426 8.050 0.376 25836
4483 1 19 . 1 1 2 2 THR N N 2 112.683 112.683 118.112 -5.429 25836
4484 1 19 . 1 1 2 2 THR HA H 2 4.483 4.483 4.470 0.013 25836
4485 1 19 . 1 1 2 2 THR H H 2 8.031 8.031 8.503 -0.472 25836
4486 1 19 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.516 -0.204 25836
4487 1 19 . 1 1 3 3 PRO CA C 3 51.149 51.149 62.919 -11.770 25836
4488 1 19 . 1 1 3 3 PRO CB C 3 29.323 29.323 32.545 -3.222 25836
4489 1 19 . 1 1 4 4 VAL N N 4 120.622 120.622 118.825 1.797 25836
4490 1 19 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.190 0.080 25836
4491 1 19 . 1 1 4 4 VAL CA C 4 58.505 58.505 62.502 -3.997 25836
4492 1 19 . 1 1 4 4 VAL CB C 4 31.307 31.307 33.766 -2.459 25836
4493 1 19 . 1 1 4 4 VAL H H 4 8.113 8.113 8.346 -0.233 25836
4494 1 19 . 1 1 5 5 GLY N N 5 115.132 115.132 113.284 1.848 25836
4495 1 19 . 1 1 5 5 GLY CA C 5 44.133 44.133 44.737 -0.604 25836
4496 1 19 . 1 1 5 5 GLY H H 5 8.736 8.736 8.392 0.344 25836
4497 1 19 . 1 1 6 6 ASN N N 6 123.501 123.501 120.496 3.005 25836
4498 1 19 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.312 0.416 25836
4499 1 19 . 1 1 6 6 ASN CA C 6 50.698 50.698 55.006 -4.308 25836
4500 1 19 . 1 1 6 6 ASN CB C 6 36.797 36.797 38.730 -1.933 25836
4501 1 19 . 1 1 6 6 ASN H H 6 9.148 9.148 8.846 0.302 25836
4502 1 19 . 1 1 7 7 ASN N N 7 118.968 118.968 117.353 1.615 25836
4503 1 19 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.727 0.568 25836
4504 1 19 . 1 1 7 7 ASN CA C 7 51.671 51.671 54.003 -2.332 25836
4505 1 19 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.319 1.282 25836
4506 1 19 . 1 1 7 7 ASN H H 7 8.515 8.515 8.342 0.173 25836
4507 1 19 . 1 1 8 8 LYS N N 8 123.142 123.142 122.212 0.930 25836
4508 1 19 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.196 -0.387 25836
4509 1 19 . 1 1 8 8 LYS CA C 8 55.264 55.264 57.170 -1.906 25836
4510 1 19 . 1 1 8 8 LYS CB C 8 29.383 29.383 32.898 -3.515 25836
4511 1 19 . 1 1 8 8 LYS H H 8 9.294 9.294 8.644 0.650 25836
4512 1 19 . 1 1 9 9 CYS N N 9 111.161 111.161 117.934 -6.773 25836
4513 1 19 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.246 -0.176 25836
4514 1 19 . 1 1 9 9 CYS CA C 9 51.847 51.847 58.998 -7.152 25836
4515 1 19 . 1 1 9 9 CYS CB C 9 32.263 32.263 24.409 7.854 25836
4516 1 19 . 1 1 9 9 CYS H H 9 6.690 6.690 8.025 -1.335 25836
4517 1 19 . 1 1 10 10 TRP N N 10 119.159 119.159 124.623 -5.464 25836
4518 1 19 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.456 0.481 25836
4519 1 19 . 1 1 10 10 TRP CA C 10 53.032 53.032 58.936 -5.904 25836
4520 1 19 . 1 1 10 10 TRP CB C 10 26.379 26.379 30.343 -3.964 25836
4521 1 19 . 1 1 10 10 TRP H H 10 8.232 8.232 7.883 0.349 25836
4522 1 19 . 1 1 11 11 ALA N N 11 119.150 119.150 122.317 -3.167 25836
4523 1 19 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.337 0.015 25836
4524 1 19 . 1 1 11 11 ALA CA C 11 49.381 49.381 51.908 -2.527 25836
4525 1 19 . 1 1 11 11 ALA CB C 11 17.253 17.253 19.481 -2.228 25836
4526 1 19 . 1 1 11 11 ALA H H 11 8.159 8.159 8.551 -0.392 25836
4527 1 19 . 1 1 12 12 ILE N N 12 121.974 121.974 124.165 -2.191 25836
4528 1 19 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.850 -0.251 25836
4529 1 19 . 1 1 12 12 ILE CA C 12 59.657 59.657 63.094 -3.437 25836
4530 1 19 . 1 1 12 12 ILE CB C 12 34.763 34.763 36.769 -2.006 25836
4531 1 19 . 1 1 12 12 ILE H H 12 8.448 8.448 8.808 -0.360 25836
4532 1 19 . 1 1 13 13 GLY N N 13 114.867 114.867 116.442 -1.575 25836
4533 1 19 . 1 1 13 13 GLY CA C 13 41.954 41.954 44.758 -2.804 25836
4534 1 19 . 1 1 13 13 GLY H H 13 9.649 9.649 8.969 0.680 25836
4535 1 19 . 1 1 14 14 THR N N 14 118.155 118.155 117.987 0.168 25836
4536 1 19 . 1 1 14 14 THR HA H 14 4.049 4.049 4.757 -0.708 25836
4537 1 19 . 1 1 14 14 THR CA C 14 61.464 61.464 61.113 0.351 25836
4538 1 19 . 1 1 14 14 THR CB C 14 67.426 67.426 69.772 -2.346 25836
4539 1 19 . 1 1 14 14 THR H H 14 8.076 8.076 7.982 0.094 25836
4540 1 19 . 1 1 15 15 THR N N 15 123.193 123.193 115.866 7.327 25836
4541 1 19 . 1 1 15 15 THR HA H 15 4.824 4.824 4.217 0.607 25836
4542 1 19 . 1 1 15 15 THR CA C 15 61.148 61.148 63.391 -2.243 25836
4543 1 19 . 1 1 15 15 THR CB C 15 66.798 66.798 69.412 -2.614 25836
4544 1 19 . 1 1 15 15 THR H H 15 8.498 8.498 8.079 0.419 25836
4545 1 19 . 1 1 16 16 CYS N N 16 119.932 119.932 121.693 -1.761 25836
4546 1 19 . 1 1 16 16 CYS HA H 16 5.510 5.510 4.799 0.711 25836
4547 1 19 . 1 1 16 16 CYS CA C 16 50.274 50.274 57.319 -7.045 25836
4548 1 19 . 1 1 16 16 CYS CB C 16 45.557 45.557 28.638 16.919 25836
4549 1 19 . 1 1 16 16 CYS H H 16 8.384 8.384 8.696 -0.312 25836
4550 1 19 . 1 1 17 17 SER N N 17 114.553 114.553 116.411 -1.858 25836
4551 1 19 . 1 1 17 17 SER HA H 17 4.676 4.676 4.530 0.146 25836
4552 1 19 . 1 1 17 17 SER CA C 17 56.391 56.391 57.804 -1.413 25836
4553 1 19 . 1 1 17 17 SER CB C 17 62.251 62.251 63.520 -1.269 25836
4554 1 19 . 1 1 17 17 SER H H 17 9.853 9.853 8.930 0.923 25836
4555 1 19 . 1 1 18 18 ASP N N 18 119.019 119.019 121.430 -2.411 25836
4556 1 19 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.279 0.351 25836
4557 1 19 . 1 1 18 18 ASP CA C 18 50.649 50.649 56.080 -5.431 25836
4558 1 19 . 1 1 18 18 ASP CB C 18 41.339 41.339 40.013 1.326 25836
4559 1 19 . 1 1 18 18 ASP H H 18 7.767 7.767 7.992 -0.225 25836
4560 1 19 . 1 1 19 19 ASP N N 19 121.627 121.627 118.499 3.128 25836
4561 1 19 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.283 -0.037 25836
4562 1 19 . 1 1 19 19 ASP CA C 19 55.706 55.706 54.945 0.761 25836
4563 1 19 . 1 1 19 19 ASP CB C 19 37.099 37.099 40.183 -3.084 25836
4564 1 19 . 1 1 19 19 ASP H H 19 8.916 8.916 8.658 0.258 25836
4565 1 19 . 1 1 20 20 CYS N N 20 117.427 117.427 114.514 2.913 25836
4566 1 19 . 1 1 20 20 CYS HA H 20 4.689 4.689 4.045 0.643 25836
4567 1 19 . 1 1 20 20 CYS CA C 20 52.798 52.798 58.990 -6.192 25836
4568 1 19 . 1 1 20 20 CYS CB C 20 36.331 36.331 25.335 10.996 25836
4569 1 19 . 1 1 20 20 CYS H H 20 9.308 9.308 8.586 0.722 25836
4570 1 19 . 1 1 21 21 ASP N N 21 120.031 120.031 120.828 -0.797 25836
4571 1 19 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.422 -0.694 25836
4572 1 19 . 1 1 21 21 ASP CA C 21 53.926 53.926 57.140 -3.214 25836
4573 1 19 . 1 1 21 21 ASP CB C 21 39.032 39.032 41.136 -2.104 25836
4574 1 19 . 1 1 21 21 ASP H H 21 7.897 7.897 8.084 -0.187 25836
4575 1 19 . 1 1 22 22 CYS N N 22 112.949 112.949 115.882 -2.933 25836
4576 1 19 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.930 0.344 25836
4577 1 19 . 1 1 22 22 CYS CA C 22 48.641 48.641 58.158 -9.517 25836
4578 1 19 . 1 1 22 22 CYS CB C 22 36.172 36.172 28.668 7.504 25836
4579 1 19 . 1 1 22 22 CYS H H 22 7.120 7.120 7.870 -0.750 25836
4580 1 19 . 1 1 23 23 CYS N N 23 124.612 124.612 120.721 3.891 25836
4581 1 19 . 1 1 23 23 CYS H H 23 11.256 11.256 8.881 2.375 25836
4582 1 19 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.600 -0.554 25836
4583 1 19 . 1 1 24 24 PRO CA C 24 63.522 63.522 64.575 -1.053 25836
4584 1 19 . 1 1 24 24 PRO CB C 24 37.298 37.298 32.281 5.018 25836
4585 1 19 . 1 1 25 25 GLU N N 25 114.549 114.549 115.096 -0.547 25836
4586 1 19 . 1 1 25 25 GLU HA H 25 4.355 4.355 4.232 0.123 25836
4587 1 19 . 1 1 25 25 GLU CA C 25 54.444 54.444 56.176 -1.732 25836
4588 1 19 . 1 1 25 25 GLU CB C 25 25.751 25.751 29.084 -3.333 25836
4589 1 19 . 1 1 25 25 GLU H H 25 9.041 9.041 8.566 0.475 25836
4590 1 19 . 1 1 26 26 HIS N N 26 123.352 123.352 117.828 5.524 25836
4591 1 19 . 1 1 26 26 HIS HA H 26 5.408 5.408 5.276 0.132 25836
4592 1 19 . 1 1 26 26 HIS CA C 26 50.399 50.399 54.637 -4.238 25836
4593 1 19 . 1 1 26 26 HIS CB C 26 33.143 33.143 33.478 -0.335 25836
4594 1 19 . 1 1 26 26 HIS H H 26 8.118 8.118 7.275 0.843 25836
4595 1 19 . 1 1 27 27 HIS N N 27 112.923 112.923 114.144 -1.221 25836
4596 1 19 . 1 1 27 27 HIS HA H 27 4.644 4.644 5.025 -0.381 25836
4597 1 19 . 1 1 27 27 HIS CA C 27 52.622 52.622 54.338 -1.716 25836
4598 1 19 . 1 1 27 27 HIS CB C 27 28.231 28.231 32.626 -4.395 25836
4599 1 19 . 1 1 27 27 HIS H H 27 9.365 9.365 9.422 -0.057 25836
4600 1 19 . 1 1 28 28 CYS N N 28 121.103 121.103 120.084 1.019 25836
4601 1 19 . 1 1 28 28 CYS HA H 28 4.803 4.803 4.551 0.252 25836
4602 1 19 . 1 1 28 28 CYS CA C 28 52.733 52.733 58.743 -6.010 25836
4603 1 19 . 1 1 28 28 CYS CB C 28 34.784 34.784 26.226 8.559 25836
4604 1 19 . 1 1 28 28 CYS H H 28 9.499 9.499 8.944 0.555 25836
4605 1 19 . 1 1 29 29 HIS N N 29 132.381 132.381 125.971 6.410 25836
4606 1 19 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.270 0.254 25836
4607 1 19 . 1 1 29 29 HIS CA C 29 53.855 53.855 56.030 -2.175 25836
4608 1 19 . 1 1 29 29 HIS CB C 29 28.973 28.973 30.946 -1.973 25836
4609 1 19 . 1 1 29 29 HIS H H 29 8.938 8.938 8.858 0.080 25836
4610 1 19 . 1 1 30 30 CYS N N 30 127.165 127.165 127.074 0.091 25836
4611 1 19 . 1 1 30 30 CYS HA H 30 5.146 5.146 4.790 0.356 25836
4612 1 19 . 1 1 30 30 CYS CA C 30 48.824 48.824 56.925 -8.101 25836
4613 1 19 . 1 1 30 30 CYS CB C 30 41.470 41.470 28.146 13.324 25836
4614 1 19 . 1 1 30 30 CYS H H 30 8.400 8.400 8.795 -0.395 25836
4615 1 19 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.394 -0.118 25836
4616 1 19 . 1 1 31 31 PRO CA C 31 60.702 60.702 63.383 -2.681 25836
4617 1 19 . 1 1 31 31 PRO CB C 31 29.441 29.441 29.566 -0.125 25836
4618 1 19 . 1 1 32 32 ALA N N 32 122.630 122.630 121.494 1.136 25836
4619 1 19 . 1 1 32 32 ALA HA H 32 4.430 4.430 4.474 -0.044 25836
4620 1 19 . 1 1 32 32 ALA CA C 32 49.453 49.453 51.956 -2.503 25836
4621 1 19 . 1 1 32 32 ALA CB C 32 16.936 16.936 21.385 -4.449 25836
4622 1 19 . 1 1 32 32 ALA H H 32 8.367 8.367 7.684 0.683 25836
4623 1 19 . 1 1 33 33 GLY N N 33 107.375 107.375 108.861 -1.486 25836
4624 1 19 . 1 1 33 33 GLY CA C 33 42.443 42.443 44.426 -1.983 25836
4625 1 19 . 1 1 33 33 GLY H H 33 8.097 8.097 8.256 -0.159 25836
4626 1 19 . 1 1 34 34 LYS N N 34 119.653 119.653 120.256 -0.603 25836
4627 1 19 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.200 0.114 25836
4628 1 19 . 1 1 34 34 LYS CA C 34 61.156 61.156 56.823 4.333 25836
4629 1 19 . 1 1 34 34 LYS CB C 34 30.378 30.378 33.197 -2.819 25836
4630 1 19 . 1 1 34 34 LYS H H 34 7.852 7.852 8.288 -0.436 25836
4631 1 19 . 1 1 35 35 TRP N N 35 122.428 122.428 120.639 1.789 25836
4632 1 19 . 1 1 35 35 TRP CB C 35 27.248 27.248 29.316 -2.068 25836
4633 1 19 . 1 1 35 35 TRP H H 35 8.130 8.130 8.220 -0.090 25836
4634 1 19 . 1 1 36 36 LEU N N 36 125.209 125.209 122.304 2.905 25836
4635 1 19 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.396 1.153 25836
4636 1 19 . 1 1 36 36 LEU CA C 36 50.156 50.156 54.117 -3.961 25836
4637 1 19 . 1 1 36 36 LEU CB C 36 40.225 40.225 41.648 -1.423 25836
4638 1 19 . 1 1 36 36 LEU H H 36 7.460 7.460 7.053 0.407 25836
4639 1 19 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.280 0.021 25836
4640 1 19 . 1 1 37 37 PRO CA C 37 56.645 56.645 62.689 -6.044 25836
4641 1 19 . 1 1 38 38 GLY N N 38 109.686 109.686 108.136 1.550 25836
4642 1 19 . 1 1 38 38 GLY CA C 38 42.884 42.884 45.440 -2.556 25836
4643 1 19 . 1 1 38 38 GLY H H 38 8.480 8.480 8.328 0.152 25836
4644 1 19 . 1 1 39 39 LEU N N 39 121.083 121.083 116.668 4.415 25836
4645 1 19 . 1 1 39 39 LEU HA H 39 4.360 4.360 3.872 0.488 25836
4646 1 19 . 1 1 39 39 LEU CA C 39 52.798 52.798 54.825 -2.027 25836
4647 1 19 . 1 1 39 39 LEU CB C 39 40.369 40.369 41.880 -1.511 25836
4648 1 19 . 1 1 39 39 LEU H H 39 7.847 7.847 7.318 0.529 25836
4649 1 19 . 1 1 40 40 PHE N N 40 118.886 118.886 122.116 -3.230 25836
4650 1 19 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.416 0.158 25836
4651 1 19 . 1 1 40 40 PHE CA C 40 54.489 54.489 57.884 -3.395 25836
4652 1 19 . 1 1 40 40 PHE CB C 40 37.271 37.271 38.647 -1.376 25836
4653 1 19 . 1 1 40 40 PHE H H 40 7.868 7.868 7.568 0.300 25836
4654 1 19 . 1 1 41 41 ARG N N 41 121.171 121.171 123.478 -2.307 25836
4655 1 19 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.264 0.152 25836
4656 1 19 . 1 1 41 41 ARG CA C 41 52.974 52.974 55.758 -2.784 25836
4657 1 19 . 1 1 41 41 ARG CB C 41 29.148 29.148 30.677 -1.529 25836
4658 1 19 . 1 1 41 41 ARG H H 41 7.888 7.888 8.163 -0.275 25836
4659 1 19 . 1 1 42 42 CYS N N 42 123.035 123.035 117.640 5.395 25836
4660 1 19 . 1 1 42 42 CYS HA H 42 5.446 5.446 5.299 0.147 25836
4661 1 19 . 1 1 42 42 CYS CA C 42 53.979 53.979 57.660 -3.681 25836
4662 1 19 . 1 1 42 42 CYS CB C 42 45.543 45.543 29.256 16.287 25836
4663 1 19 . 1 1 42 42 CYS H H 42 8.731 8.731 8.217 0.514 25836
4664 1 19 . 1 1 43 43 THR N N 43 111.223 111.223 111.977 -0.754 25836
4665 1 19 . 1 1 43 43 THR HA H 43 5.402 5.402 4.855 0.547 25836
4666 1 19 . 1 1 43 43 THR CA C 43 57.581 57.581 60.427 -2.846 25836
4667 1 19 . 1 1 43 43 THR CB C 43 71.715 71.715 71.449 0.266 25836
4668 1 19 . 1 1 43 43 THR H H 43 8.659 8.659 8.700 -0.041 25836
4669 1 19 . 1 1 44 44 CYS N N 44 120.754 120.754 123.844 -3.090 25836
4670 1 19 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.251 0.078 25836
4671 1 19 . 1 1 44 44 CYS CA C 44 52.398 52.398 59.337 -6.939 25836
4672 1 19 . 1 1 44 44 CYS CB C 44 36.766 36.766 27.103 9.663 25836
4673 1 19 . 1 1 44 44 CYS H H 44 8.404 8.404 8.927 -0.522 25836
4674 1 19 . 1 1 45 45 GLN N N 45 121.589 121.589 124.779 -3.190 25836
4675 1 19 . 1 1 45 45 GLN HA H 45 4.695 4.695 4.669 0.026 25836
4676 1 19 . 1 1 45 45 GLN CA C 45 51.495 51.495 53.508 -2.013 25836
4677 1 19 . 1 1 45 45 GLN CB C 45 31.136 31.136 33.261 -2.125 25836
4678 1 19 . 1 1 45 45 GLN H H 45 9.247 9.247 8.975 0.272 25836
4679 1 19 . 1 1 46 46 VAL N N 46 119.594 119.594 120.045 -0.451 25836
4680 1 19 . 1 1 46 46 VAL HA H 46 4.149 4.149 3.908 0.241 25836
4681 1 19 . 1 1 46 46 VAL CA C 46 61.358 61.358 61.864 -0.506 25836
4682 1 19 . 1 1 46 46 VAL CB C 46 29.629 29.629 32.787 -3.158 25836
4683 1 19 . 1 1 46 46 VAL H H 46 8.703 8.703 8.379 0.324 25836
4684 1 19 . 1 1 47 47 THR N N 47 118.278 118.278 120.201 -1.923 25836
4685 1 19 . 1 1 47 47 THR HA H 47 4.169 4.169 4.402 -0.233 25836
4686 1 19 . 1 1 47 47 THR CA C 47 59.491 59.491 61.620 -2.129 25836
4687 1 19 . 1 1 47 47 THR CB C 47 66.789 66.789 70.133 -3.344 25836
4688 1 19 . 1 1 47 47 THR H H 47 8.002 8.002 8.537 -0.535 25836
4689 1 19 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.355 0.107 25836
4690 1 19 . 1 1 49 49 SER N N 49 114.478 114.478 116.549 -2.071 25836
4691 1 19 . 1 1 49 49 SER HA H 49 4.291 4.291 4.301 -0.010 25836
4692 1 19 . 1 1 49 49 SER CA C 49 51.081 51.081 58.869 -7.788 25836
4693 1 19 . 1 1 49 49 SER CB C 49 60.846 60.846 63.537 -2.691 25836
4694 1 19 . 1 1 49 49 SER H H 49 8.304 8.304 7.673 0.631 25836
4695 1 19 . 1 1 50 50 ASP N N 50 118.750 118.750 119.969 -1.219 25836
4696 1 19 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.708 -0.127 25836
4697 1 19 . 1 1 50 50 ASP CA C 50 51.426 51.426 54.561 -3.135 25836
4698 1 19 . 1 1 50 50 ASP CB C 50 37.727 37.727 40.790 -3.063 25836
4699 1 19 . 1 1 50 50 ASP H H 50 8.469 8.469 8.513 -0.044 25836
4700 1 19 . 1 1 51 51 LYS N N 51 120.789 120.789 119.645 1.144 25836
4701 1 19 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.475 -0.016 25836
4702 1 19 . 1 1 51 51 LYS CA C 51 52.869 52.869 56.126 -3.257 25836
4703 1 19 . 1 1 51 51 LYS CB C 51 26.190 26.190 32.660 -6.471 25836
4704 1 19 . 1 1 51 51 LYS H H 51 7.824 7.824 8.026 -0.202 25836
4705 1 19 . 1 1 52 52 VAL N N 52 116.071 116.071 115.406 0.665 25836
4706 1 19 . 1 1 52 52 VAL HA H 52 4.303 4.303 4.329 -0.026 25836
4707 1 19 . 1 1 52 52 VAL CA C 52 57.941 57.941 60.828 -2.887 25836
4708 1 19 . 1 1 52 52 VAL CB C 52 31.464 31.464 33.308 -1.844 25836
4709 1 19 . 1 1 52 52 VAL H H 52 7.653 7.653 7.356 0.297 25836
4710 1 19 . 1 1 53 53 ASN N N 53 123.498 123.498 119.984 3.514 25836
4711 1 19 . 1 1 53 53 ASN HA H 53 4.374 4.374 4.608 -0.234 25836
4712 1 19 . 1 1 53 53 ASN CA C 53 52.763 52.763 53.472 -0.709 25836
4713 1 19 . 1 1 53 53 ASN CB C 53 37.419 37.419 38.654 -1.236 25836
4714 1 19 . 1 1 53 53 ASN H H 53 8.495 8.495 8.525 -0.030 25836
4715 1 19 . 1 1 54 54 LYS N N 54 127.289 127.289 116.622 10.667 25836
4716 1 19 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.155 0.189 25836
4717 1 19 . 1 1 54 54 LYS CA C 54 53.397 53.397 56.831 -3.434 25836
4718 1 19 . 1 1 54 54 LYS CB C 54 29.422 29.422 31.593 -2.171 25836
4719 1 19 . 1 1 54 54 LYS H H 54 10.155 10.155 8.421 1.734 25836
4720 1 19 . 1 1 55 55 CYS N N 55 124.019 124.019 121.936 2.083 25836
4721 1 19 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.514 0.175 25836
4722 1 19 . 1 1 55 55 CYS CA C 55 52.235 52.235 57.346 -5.111 25836
4723 1 19 . 1 1 55 55 CYS CB C 55 40.134 40.134 26.441 13.693 25836
4724 1 19 . 1 1 55 55 CYS H H 55 8.698 8.698 7.930 0.768 25836
4725 1 19 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.317 0.272 25836
4726 1 19 . 1 1 57 57 PRO CB C 57 29.744 29.744 32.253 -2.509 25836
4727 1 19 . 1 1 58 58 ALA N N 58 123.825 123.825 119.359 4.466 25836
4728 1 19 . 1 1 58 58 ALA HA H 58 4.351 4.351 4.420 -0.069 25836
4729 1 19 . 1 1 58 58 ALA CA C 58 49.557 49.557 52.055 -2.498 25836
4730 1 19 . 1 1 58 58 ALA CB C 58 16.910 16.910 19.749 -2.839 25836
4731 1 19 . 1 1 58 58 ALA H H 58 8.426 8.426 7.989 0.437 25836
4732 1 20 . 1 1 2 2 THR N N 2 112.683 112.683 115.204 -2.521 25836
4733 1 20 . 1 1 2 2 THR HA H 2 4.483 4.483 4.681 -0.198 25836
4734 1 20 . 1 1 2 2 THR H H 2 8.031 8.031 8.386 -0.355 25836
4735 1 20 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.484 -0.172 25836
4736 1 20 . 1 1 3 3 PRO CA C 3 51.149 51.149 63.090 -11.941 25836
4737 1 20 . 1 1 3 3 PRO CB C 3 29.323 29.323 32.610 -3.287 25836
4738 1 20 . 1 1 4 4 VAL N N 4 120.622 120.622 116.880 3.742 25836
4739 1 20 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.368 -0.098 25836
4740 1 20 . 1 1 4 4 VAL CA C 4 58.505 58.505 60.115 -1.610 25836
4741 1 20 . 1 1 4 4 VAL CB C 4 31.307 31.307 33.618 -2.311 25836
4742 1 20 . 1 1 4 4 VAL H H 4 8.113 8.113 8.099 0.014 25836
4743 1 20 . 1 1 5 5 GLY N N 5 115.132 115.132 111.219 3.913 25836
4744 1 20 . 1 1 5 5 GLY CA C 5 44.133 44.133 44.963 -0.830 25836
4745 1 20 . 1 1 5 5 GLY H H 5 8.736 8.736 8.324 0.412 25836
4746 1 20 . 1 1 6 6 ASN N N 6 123.501 123.501 120.500 3.001 25836
4747 1 20 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.451 0.277 25836
4748 1 20 . 1 1 6 6 ASN CA C 6 50.698 50.698 54.645 -3.947 25836
4749 1 20 . 1 1 6 6 ASN CB C 6 36.797 36.797 38.711 -1.914 25836
4750 1 20 . 1 1 6 6 ASN H H 6 9.148 9.148 8.673 0.475 25836
4751 1 20 . 1 1 7 7 ASN N N 7 118.968 118.968 117.088 1.880 25836
4752 1 20 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.733 0.562 25836
4753 1 20 . 1 1 7 7 ASN CA C 7 51.671 51.671 54.451 -2.780 25836
4754 1 20 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.452 1.149 25836
4755 1 20 . 1 1 7 7 ASN H H 7 8.515 8.515 8.036 0.479 25836
4756 1 20 . 1 1 8 8 LYS N N 8 123.142 123.142 121.916 1.226 25836
4757 1 20 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.190 -0.381 25836
4758 1 20 . 1 1 8 8 LYS CA C 8 55.264 55.264 57.535 -2.271 25836
4759 1 20 . 1 1 8 8 LYS CB C 8 29.383 29.383 32.804 -3.421 25836
4760 1 20 . 1 1 8 8 LYS H H 8 9.294 9.294 8.609 0.685 25836
4761 1 20 . 1 1 9 9 CYS N N 9 111.161 111.161 118.885 -7.724 25836
4762 1 20 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.273 -0.203 25836
4763 1 20 . 1 1 9 9 CYS CA C 9 51.847 51.847 59.143 -7.296 25836
4764 1 20 . 1 1 9 9 CYS CB C 9 32.263 32.263 25.149 7.114 25836
4765 1 20 . 1 1 9 9 CYS H H 9 6.690 6.690 8.048 -1.358 25836
4766 1 20 . 1 1 10 10 TRP N N 10 119.159 119.159 126.347 -7.188 25836
4767 1 20 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.442 0.495 25836
4768 1 20 . 1 1 10 10 TRP CA C 10 53.032 53.032 57.645 -4.613 25836
4769 1 20 . 1 1 10 10 TRP CB C 10 26.379 26.379 30.346 -3.967 25836
4770 1 20 . 1 1 10 10 TRP H H 10 8.232 8.232 7.965 0.267 25836
4771 1 20 . 1 1 11 11 ALA N N 11 119.150 119.150 122.036 -2.886 25836
4772 1 20 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.285 0.067 25836
4773 1 20 . 1 1 11 11 ALA CA C 11 49.381 49.381 51.583 -2.202 25836
4774 1 20 . 1 1 11 11 ALA CB C 11 17.253 17.253 19.410 -2.157 25836
4775 1 20 . 1 1 11 11 ALA H H 11 8.159 8.159 8.208 -0.049 25836
4776 1 20 . 1 1 12 12 ILE N N 12 121.974 121.974 123.792 -1.818 25836
4777 1 20 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.871 -0.272 25836
4778 1 20 . 1 1 12 12 ILE CA C 12 59.657 59.657 63.405 -3.748 25836
4779 1 20 . 1 1 12 12 ILE CB C 12 34.763 34.763 36.824 -2.061 25836
4780 1 20 . 1 1 12 12 ILE H H 12 8.448 8.448 8.679 -0.231 25836
4781 1 20 . 1 1 13 13 GLY N N 13 114.867 114.867 115.932 -1.065 25836
4782 1 20 . 1 1 13 13 GLY CA C 13 41.954 41.954 44.835 -2.881 25836
4783 1 20 . 1 1 13 13 GLY H H 13 9.649 9.649 8.811 0.838 25836
4784 1 20 . 1 1 14 14 THR N N 14 118.155 118.155 118.351 -0.196 25836
4785 1 20 . 1 1 14 14 THR HA H 14 4.049 4.049 4.770 -0.721 25836
4786 1 20 . 1 1 14 14 THR CA C 14 61.464 61.464 60.968 0.496 25836
4787 1 20 . 1 1 14 14 THR CB C 14 67.426 67.426 69.900 -2.474 25836
4788 1 20 . 1 1 14 14 THR H H 14 8.076 8.076 7.997 0.079 25836
4789 1 20 . 1 1 15 15 THR N N 15 123.193 123.193 116.136 7.057 25836
4790 1 20 . 1 1 15 15 THR HA H 15 4.824 4.824 4.502 0.322 25836
4791 1 20 . 1 1 15 15 THR CA C 15 61.148 61.148 63.779 -2.631 25836
4792 1 20 . 1 1 15 15 THR CB C 15 66.798 66.798 69.600 -2.802 25836
4793 1 20 . 1 1 15 15 THR H H 15 8.498 8.498 8.350 0.148 25836
4794 1 20 . 1 1 16 16 CYS N N 16 119.932 119.932 119.258 0.674 25836
4795 1 20 . 1 1 16 16 CYS HA H 16 5.510 5.510 4.597 0.913 25836
4796 1 20 . 1 1 16 16 CYS CA C 16 50.274 50.274 57.352 -7.078 25836
4797 1 20 . 1 1 16 16 CYS CB C 16 45.557 45.557 28.787 16.770 25836
4798 1 20 . 1 1 16 16 CYS H H 16 8.384 8.384 8.216 0.168 25836
4799 1 20 . 1 1 17 17 SER N N 17 114.553 114.553 114.758 -0.205 25836
4800 1 20 . 1 1 17 17 SER HA H 17 4.676 4.676 4.311 0.365 25836
4801 1 20 . 1 1 17 17 SER CA C 17 56.391 56.391 58.069 -1.678 25836
4802 1 20 . 1 1 17 17 SER CB C 17 62.251 62.251 63.138 -0.887 25836
4803 1 20 . 1 1 17 17 SER H H 17 9.853 9.853 8.483 1.370 25836
4804 1 20 . 1 1 18 18 ASP N N 18 119.019 119.019 122.519 -3.500 25836
4805 1 20 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.195 0.435 25836
4806 1 20 . 1 1 18 18 ASP CA C 18 50.649 50.649 55.473 -4.824 25836
4807 1 20 . 1 1 18 18 ASP CB C 18 41.339 41.339 40.222 1.117 25836
4808 1 20 . 1 1 18 18 ASP H H 18 7.767 7.767 7.673 0.094 25836
4809 1 20 . 1 1 19 19 ASP N N 19 121.627 121.627 118.512 3.115 25836
4810 1 20 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.233 0.013 25836
4811 1 20 . 1 1 19 19 ASP CA C 19 55.706 55.706 54.904 0.802 25836
4812 1 20 . 1 1 19 19 ASP CB C 19 37.099 37.099 39.950 -2.852 25836
4813 1 20 . 1 1 19 19 ASP H H 19 8.916 8.916 8.670 0.246 25836
4814 1 20 . 1 1 20 20 CYS N N 20 117.427 117.427 114.984 2.443 25836
4815 1 20 . 1 1 20 20 CYS HA H 20 4.689 4.689 4.018 0.671 25836
4816 1 20 . 1 1 20 20 CYS CA C 20 52.798 52.798 59.099 -6.301 25836
4817 1 20 . 1 1 20 20 CYS CB C 20 36.331 36.331 25.437 10.894 25836
4818 1 20 . 1 1 20 20 CYS H H 20 9.308 9.308 8.590 0.718 25836
4819 1 20 . 1 1 21 21 ASP N N 21 120.031 120.031 120.459 -0.428 25836
4820 1 20 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.292 -0.564 25836
4821 1 20 . 1 1 21 21 ASP CA C 21 53.926 53.926 57.652 -3.726 25836
4822 1 20 . 1 1 21 21 ASP CB C 21 39.032 39.032 40.800 -1.768 25836
4823 1 20 . 1 1 21 21 ASP H H 21 7.897 7.897 8.175 -0.278 25836
4824 1 20 . 1 1 22 22 CYS N N 22 112.949 112.949 116.680 -3.731 25836
4825 1 20 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.409 0.865 25836
4826 1 20 . 1 1 22 22 CYS CA C 22 48.641 48.641 59.025 -10.383 25836
4827 1 20 . 1 1 22 22 CYS CB C 22 36.172 36.172 28.254 7.918 25836
4828 1 20 . 1 1 22 22 CYS H H 22 7.120 7.120 7.966 -0.846 25836
4829 1 20 . 1 1 23 23 CYS N N 23 124.612 124.612 122.803 1.809 25836
4830 1 20 . 1 1 23 23 CYS H H 23 11.256 11.256 8.646 2.610 25836
4831 1 20 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.318 -0.272 25836
4832 1 20 . 1 1 24 24 PRO CA C 24 63.522 63.522 65.161 -1.639 25836
4833 1 20 . 1 1 24 24 PRO CB C 24 37.298 37.298 32.376 4.922 25836
4834 1 20 . 1 1 25 25 GLU N N 25 114.549 114.549 115.987 -1.438 25836
4835 1 20 . 1 1 25 25 GLU HA H 25 4.355 4.355 4.072 0.283 25836
4836 1 20 . 1 1 25 25 GLU CA C 25 54.444 54.444 58.541 -4.097 25836
4837 1 20 . 1 1 25 25 GLU CB C 25 25.751 25.751 29.652 -3.901 25836
4838 1 20 . 1 1 25 25 GLU H H 25 9.041 9.041 8.842 0.199 25836
4839 1 20 . 1 1 26 26 HIS N N 26 123.352 123.352 114.972 8.380 25836
4840 1 20 . 1 1 26 26 HIS HA H 26 5.408 5.408 4.899 0.509 25836
4841 1 20 . 1 1 26 26 HIS CA C 26 50.399 50.399 56.663 -6.264 25836
4842 1 20 . 1 1 26 26 HIS CB C 26 33.143 33.143 32.095 1.048 25836
4843 1 20 . 1 1 26 26 HIS H H 26 8.118 8.118 7.883 0.235 25836
4844 1 20 . 1 1 27 27 HIS N N 27 112.923 112.923 115.538 -2.615 25836
4845 1 20 . 1 1 27 27 HIS HA H 27 4.644 4.644 5.089 -0.445 25836
4846 1 20 . 1 1 27 27 HIS CA C 27 52.622 52.622 55.553 -2.931 25836
4847 1 20 . 1 1 27 27 HIS CB C 27 28.231 28.231 33.557 -5.326 25836
4848 1 20 . 1 1 27 27 HIS H H 27 9.365 9.365 8.972 0.393 25836
4849 1 20 . 1 1 28 28 CYS N N 28 121.103 121.103 120.983 0.120 25836
4850 1 20 . 1 1 28 28 CYS HA H 28 4.803 4.803 5.075 -0.272 25836
4851 1 20 . 1 1 28 28 CYS CA C 28 52.733 52.733 58.370 -5.637 25836
4852 1 20 . 1 1 28 28 CYS CB C 28 34.784 34.784 26.315 8.469 25836
4853 1 20 . 1 1 28 28 CYS H H 28 9.499 9.499 8.269 1.230 25836
4854 1 20 . 1 1 29 29 HIS N N 29 132.381 132.381 126.038 6.343 25836
4855 1 20 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.633 -0.109 25836
4856 1 20 . 1 1 29 29 HIS CA C 29 53.855 53.855 56.450 -2.595 25836
4857 1 20 . 1 1 29 29 HIS CB C 29 28.973 28.973 30.779 -1.806 25836
4858 1 20 . 1 1 29 29 HIS H H 29 8.938 8.938 8.987 -0.049 25836
4859 1 20 . 1 1 30 30 CYS N N 30 127.165 127.165 126.952 0.213 25836
4860 1 20 . 1 1 30 30 CYS HA H 30 5.146 5.146 4.845 0.301 25836
4861 1 20 . 1 1 30 30 CYS CA C 30 48.824 48.824 56.365 -7.541 25836
4862 1 20 . 1 1 30 30 CYS CB C 30 41.470 41.470 28.491 12.979 25836
4863 1 20 . 1 1 30 30 CYS H H 30 8.400 8.400 8.534 -0.134 25836
4864 1 20 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.256 0.020 25836
4865 1 20 . 1 1 31 31 PRO CA C 31 60.702 60.702 62.382 -1.680 25836
4866 1 20 . 1 1 31 31 PRO CB C 31 29.441 29.441 32.189 -2.748 25836
4867 1 20 . 1 1 32 32 ALA N N 32 122.630 122.630 122.575 0.055 25836
4868 1 20 . 1 1 32 32 ALA HA H 32 4.430 4.430 4.359 0.071 25836
4869 1 20 . 1 1 32 32 ALA CA C 32 49.453 49.453 52.043 -2.590 25836
4870 1 20 . 1 1 32 32 ALA CB C 32 16.936 16.936 19.686 -2.750 25836
4871 1 20 . 1 1 32 32 ALA H H 32 8.367 8.367 7.993 0.374 25836
4872 1 20 . 1 1 33 33 GLY N N 33 107.375 107.375 107.357 0.018 25836
4873 1 20 . 1 1 33 33 GLY CA C 33 42.443 42.443 45.267 -2.825 25836
4874 1 20 . 1 1 33 33 GLY H H 33 8.097 8.097 8.340 -0.243 25836
4875 1 20 . 1 1 34 34 LYS N N 34 119.653 119.653 125.325 -5.672 25836
4876 1 20 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.357 -0.043 25836
4877 1 20 . 1 1 34 34 LYS CA C 34 61.156 61.156 55.761 5.395 25836
4878 1 20 . 1 1 34 34 LYS CB C 34 30.378 30.378 32.706 -2.328 25836
4879 1 20 . 1 1 34 34 LYS H H 34 7.852 7.852 8.623 -0.771 25836
4880 1 20 . 1 1 35 35 TRP N N 35 122.428 122.428 119.999 2.429 25836
4881 1 20 . 1 1 35 35 TRP CB C 35 27.248 27.248 29.352 -2.104 25836
4882 1 20 . 1 1 35 35 TRP H H 35 8.130 8.130 7.709 0.421 25836
4883 1 20 . 1 1 36 36 LEU N N 36 125.209 125.209 121.033 4.176 25836
4884 1 20 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.378 1.171 25836
4885 1 20 . 1 1 36 36 LEU CA C 36 50.156 50.156 54.869 -4.713 25836
4886 1 20 . 1 1 36 36 LEU CB C 36 40.225 40.225 41.335 -1.110 25836
4887 1 20 . 1 1 36 36 LEU H H 36 7.460 7.460 6.990 0.470 25836
4888 1 20 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.332 -0.031 25836
4889 1 20 . 1 1 37 37 PRO CA C 37 56.645 56.645 62.816 -6.170 25836
4890 1 20 . 1 1 38 38 GLY N N 38 109.686 109.686 107.275 2.411 25836
4891 1 20 . 1 1 38 38 GLY CA C 38 42.884 42.884 45.178 -2.293 25836
4892 1 20 . 1 1 38 38 GLY H H 38 8.480 8.480 8.167 0.313 25836
4893 1 20 . 1 1 39 39 LEU N N 39 121.083 121.083 119.249 1.834 25836
4894 1 20 . 1 1 39 39 LEU HA H 39 4.360 4.360 4.241 0.119 25836
4895 1 20 . 1 1 39 39 LEU CA C 39 52.798 52.798 54.359 -1.561 25836
4896 1 20 . 1 1 39 39 LEU CB C 39 40.369 40.369 42.510 -2.141 25836
4897 1 20 . 1 1 39 39 LEU H H 39 7.847 7.847 7.404 0.443 25836
4898 1 20 . 1 1 40 40 PHE N N 40 118.886 118.886 119.622 -0.736 25836
4899 1 20 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.337 0.237 25836
4900 1 20 . 1 1 40 40 PHE CA C 40 54.489 54.489 58.978 -4.489 25836
4901 1 20 . 1 1 40 40 PHE CB C 40 37.271 37.271 39.429 -2.158 25836
4902 1 20 . 1 1 40 40 PHE H H 40 7.868 7.868 8.454 -0.586 25836
4903 1 20 . 1 1 41 41 ARG N N 41 121.171 121.171 119.937 1.234 25836
4904 1 20 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.497 -0.081 25836
4905 1 20 . 1 1 41 41 ARG CA C 41 52.974 52.974 55.660 -2.686 25836
4906 1 20 . 1 1 41 41 ARG CB C 41 29.148 29.148 32.112 -2.964 25836
4907 1 20 . 1 1 41 41 ARG H H 41 7.888 7.888 8.657 -0.769 25836
4908 1 20 . 1 1 42 42 CYS N N 42 123.035 123.035 115.004 8.031 25836
4909 1 20 . 1 1 42 42 CYS HA H 42 5.446 5.446 5.041 0.405 25836
4910 1 20 . 1 1 42 42 CYS CA C 42 53.979 53.979 57.248 -3.269 25836
4911 1 20 . 1 1 42 42 CYS CB C 42 45.543 45.543 31.450 14.093 25836
4912 1 20 . 1 1 42 42 CYS H H 42 8.731 8.731 8.589 0.142 25836
4913 1 20 . 1 1 43 43 THR N N 43 111.223 111.223 111.770 -0.547 25836
4914 1 20 . 1 1 43 43 THR HA H 43 5.402 5.402 4.830 0.572 25836
4915 1 20 . 1 1 43 43 THR CA C 43 57.581 57.581 60.127 -2.546 25836
4916 1 20 . 1 1 43 43 THR CB C 43 71.715 71.715 70.786 0.929 25836
4917 1 20 . 1 1 43 43 THR H H 43 8.659 8.659 8.535 0.124 25836
4918 1 20 . 1 1 44 44 CYS N N 44 120.754 120.754 124.000 -3.246 25836
4919 1 20 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.243 0.086 25836
4920 1 20 . 1 1 44 44 CYS CA C 44 52.398 52.398 59.526 -7.128 25836
4921 1 20 . 1 1 44 44 CYS CB C 44 36.766 36.766 26.225 10.541 25836
4922 1 20 . 1 1 44 44 CYS H H 44 8.404 8.404 8.831 -0.427 25836
4923 1 20 . 1 1 45 45 GLN N N 45 121.589 121.589 124.698 -3.109 25836
4924 1 20 . 1 1 45 45 GLN HA H 45 4.695 4.695 4.781 -0.086 25836
4925 1 20 . 1 1 45 45 GLN CA C 45 51.495 51.495 54.708 -3.213 25836
4926 1 20 . 1 1 45 45 GLN CB C 45 31.136 31.136 33.742 -2.606 25836
4927 1 20 . 1 1 45 45 GLN H H 45 9.247 9.247 9.080 0.167 25836
4928 1 20 . 1 1 46 46 VAL N N 46 119.594 119.594 121.094 -1.500 25836
4929 1 20 . 1 1 46 46 VAL HA H 46 4.149 4.149 3.270 0.879 25836
4930 1 20 . 1 1 46 46 VAL CA C 46 61.358 61.358 63.719 -2.361 25836
4931 1 20 . 1 1 46 46 VAL CB C 46 29.629 29.629 32.116 -2.487 25836
4932 1 20 . 1 1 46 46 VAL H H 46 8.703 8.703 8.659 0.044 25836
4933 1 20 . 1 1 47 47 THR N N 47 118.278 118.278 118.528 -0.250 25836
4934 1 20 . 1 1 47 47 THR HA H 47 4.169 4.169 4.614 -0.445 25836
4935 1 20 . 1 1 47 47 THR CA C 47 59.491 59.491 60.890 -1.399 25836
4936 1 20 . 1 1 47 47 THR CB C 47 66.789 66.789 70.570 -3.781 25836
4937 1 20 . 1 1 47 47 THR H H 47 8.002 8.002 8.234 -0.232 25836
4938 1 20 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.108 0.354 25836
4939 1 20 . 1 1 49 49 SER N N 49 114.478 114.478 115.172 -0.694 25836
4940 1 20 . 1 1 49 49 SER HA H 49 4.291 4.291 4.395 -0.104 25836
4941 1 20 . 1 1 49 49 SER CA C 49 51.081 51.081 58.254 -7.173 25836
4942 1 20 . 1 1 49 49 SER CB C 49 60.846 60.846 63.504 -2.658 25836
4943 1 20 . 1 1 49 49 SER H H 49 8.304 8.304 7.731 0.573 25836
4944 1 20 . 1 1 50 50 ASP N N 50 118.750 118.750 118.091 0.659 25836
4945 1 20 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.571 0.010 25836
4946 1 20 . 1 1 50 50 ASP CA C 50 51.426 51.426 53.650 -2.224 25836
4947 1 20 . 1 1 50 50 ASP CB C 50 37.727 37.727 39.715 -1.988 25836
4948 1 20 . 1 1 50 50 ASP H H 50 8.469 8.469 8.522 -0.053 25836
4949 1 20 . 1 1 51 51 LYS N N 51 120.789 120.789 121.264 -0.475 25836
4950 1 20 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.276 0.183 25836
4951 1 20 . 1 1 51 51 LYS CA C 51 52.869 52.869 55.193 -2.324 25836
4952 1 20 . 1 1 51 51 LYS CB C 51 26.190 26.190 32.795 -6.606 25836
4953 1 20 . 1 1 51 51 LYS H H 51 7.824 7.824 7.330 0.494 25836
4954 1 20 . 1 1 52 52 VAL N N 52 116.071 116.071 119.783 -3.712 25836
4955 1 20 . 1 1 52 52 VAL HA H 52 4.303 4.303 4.459 -0.156 25836
4956 1 20 . 1 1 52 52 VAL CA C 52 57.941 57.941 58.697 -0.756 25836
4957 1 20 . 1 1 52 52 VAL CB C 52 31.464 31.464 35.165 -3.701 25836
4958 1 20 . 1 1 52 52 VAL H H 52 7.653 7.653 7.942 -0.289 25836
4959 1 20 . 1 1 53 53 ASN N N 53 123.498 123.498 119.083 4.415 25836
4960 1 20 . 1 1 53 53 ASN HA H 53 4.374 4.374 4.909 -0.535 25836
4961 1 20 . 1 1 53 53 ASN CA C 53 52.763 52.763 52.523 0.240 25836
4962 1 20 . 1 1 53 53 ASN CB C 53 37.419 37.419 39.495 -2.076 25836
4963 1 20 . 1 1 53 53 ASN H H 53 8.495 8.495 8.677 -0.182 25836
4964 1 20 . 1 1 54 54 LYS N N 54 127.289 127.289 119.373 7.916 25836
4965 1 20 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.159 0.185 25836
4966 1 20 . 1 1 54 54 LYS CA C 54 53.397 53.397 57.910 -4.513 25836
4967 1 20 . 1 1 54 54 LYS CB C 54 29.422 29.422 32.243 -2.821 25836
4968 1 20 . 1 1 54 54 LYS H H 54 10.155 10.155 8.477 1.678 25836
4969 1 20 . 1 1 55 55 CYS N N 55 124.019 124.019 119.183 4.836 25836
4970 1 20 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.578 0.111 25836
4971 1 20 . 1 1 55 55 CYS CA C 55 52.235 52.235 56.477 -4.242 25836
4972 1 20 . 1 1 55 55 CYS CB C 55 40.134 40.134 26.772 13.362 25836
4973 1 20 . 1 1 55 55 CYS H H 55 8.698 8.698 7.825 0.873 25836
4974 1 20 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.367 0.222 25836
4975 1 20 . 1 1 57 57 PRO CB C 57 29.744 29.744 29.328 0.416 25836
4976 1 20 . 1 1 58 58 ALA N N 58 123.825 123.825 124.256 -0.431 25836
4977 1 20 . 1 1 58 58 ALA HA H 58 4.351 4.351 4.380 -0.029 25836
4978 1 20 . 1 1 58 58 ALA CA C 58 49.557 49.557 51.663 -2.106 25836
4979 1 20 . 1 1 58 58 ALA CB C 58 16.910 16.910 19.128 -2.217 25836
4980 1 20 . 1 1 58 58 ALA H H 58 8.426 8.426 8.481 -0.055 25836
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 50 3.502 -0.038 3.538 25836
2 1 1 "Average Difference" HA 58 0.351 -0.077 0.346 25836
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25836
4 1 1 "Average Difference" CA 51 4.375 3.422 2.753 25836
5 1 1 "Average Difference" CB 48 5.909 -0.374 5.960 25836
6 1 1 "Average Difference" HN 50 0.645 -0.145 0.634 25836
7 1 2 "Average Difference" N 50 3.631 -0.377 3.648 25836
8 1 2 "Average Difference" HA 58 0.406 -0.073 0.403 25836
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25836
10 1 2 "Average Difference" CA 51 4.459 3.550 2.726 25836
11 1 2 "Average Difference" CB 48 5.790 -0.363 5.840 25836
12 1 2 "Average Difference" HN 50 0.625 -0.134 0.617 25836
13 1 3 "Average Difference" N 50 3.659 -0.546 3.654 25836
14 1 3 "Average Difference" HA 58 0.349 -0.078 0.343 25836
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25836
16 1 3 "Average Difference" CA 51 4.265 3.375 2.634 25836
17 1 3 "Average Difference" CB 48 5.701 -0.368 5.749 25836
18 1 3 "Average Difference" HN 50 0.673 -0.228 0.640 25836
19 1 4 "Average Difference" N 50 3.301 -0.517 3.294 25836
20 1 4 "Average Difference" HA 58 0.337 -0.062 0.334 25836
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25836
22 1 4 "Average Difference" CA 51 4.451 3.474 2.810 25836
23 1 4 "Average Difference" CB 48 5.555 -0.365 5.602 25836
24 1 4 "Average Difference" HN 50 0.662 -0.124 0.657 25836
25 1 5 "Average Difference" N 50 3.065 -0.221 3.088 25836
26 1 5 "Average Difference" HA 58 0.376 -0.066 0.374 25836
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25836
28 1 5 "Average Difference" CA 51 4.398 3.425 2.787 25836
29 1 5 "Average Difference" CB 48 5.742 -0.403 5.788 25836
30 1 5 "Average Difference" HN 50 0.610 -0.149 0.598 25836
31 1 6 "Average Difference" N 50 3.181 -0.130 3.211 25836
32 1 6 "Average Difference" HA 58 0.426 -0.111 0.415 25836
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25836
34 1 6 "Average Difference" CA 51 4.305 3.347 2.733 25836
35 1 6 "Average Difference" CB 48 5.789 -0.623 5.816 25836
36 1 6 "Average Difference" HN 50 0.651 -0.132 0.644 25836
37 1 7 "Average Difference" N 50 3.479 0.189 3.509 25836
38 1 7 "Average Difference" HA 58 0.379 -0.080 0.374 25836
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25836
40 1 7 "Average Difference" CA 51 4.418 3.483 2.744 25836
41 1 7 "Average Difference" CB 48 5.807 -0.380 5.856 25836
42 1 7 "Average Difference" HN 50 0.622 -0.138 0.612 25836
43 1 8 "Average Difference" N 50 3.395 0.113 3.428 25836
44 1 8 "Average Difference" HA 58 0.421 -0.136 0.402 25836
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25836
46 1 8 "Average Difference" CA 51 4.419 3.437 2.805 25836
47 1 8 "Average Difference" CB 48 5.807 -0.534 5.844 25836
48 1 8 "Average Difference" HN 50 0.672 -0.171 0.656 25836
49 1 9 "Average Difference" N 50 3.597 -0.432 3.608 25836
50 1 9 "Average Difference" HA 58 0.403 -0.107 0.392 25836
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25836
52 1 9 "Average Difference" CA 51 4.485 3.513 2.816 25836
53 1 9 "Average Difference" CB 48 5.686 -0.455 5.728 25836
54 1 9 "Average Difference" HN 50 0.695 -0.131 0.689 25836
55 1 10 "Average Difference" N 50 3.488 -0.115 3.521 25836
56 1 10 "Average Difference" HA 58 0.423 -0.092 0.417 25836
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25836
58 1 10 "Average Difference" CA 51 4.413 3.478 2.744 25836
59 1 10 "Average Difference" CB 48 5.792 -0.336 5.844 25836
60 1 10 "Average Difference" HN 50 0.632 -0.136 0.624 25836
61 1 11 "Average Difference" N 50 3.233 -0.346 3.247 25836
62 1 11 "Average Difference" HA 58 0.444 -0.102 0.436 25836
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25836
64 1 11 "Average Difference" CA 51 4.402 3.397 2.828 25836
65 1 11 "Average Difference" CB 48 5.878 -0.534 5.916 25836
66 1 11 "Average Difference" HN 50 0.659 -0.159 0.646 25836
67 1 12 "Average Difference" N 50 3.460 -0.380 3.474 25836
68 1 12 "Average Difference" HA 58 0.371 -0.093 0.362 25836
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25836
70 1 12 "Average Difference" CA 51 4.426 3.573 2.639 25836
71 1 12 "Average Difference" CB 48 5.845 -0.457 5.889 25836
72 1 12 "Average Difference" HN 50 0.662 -0.143 0.653 25836
73 1 13 "Average Difference" N 50 3.260 -0.240 3.284 25836
74 1 13 "Average Difference" HA 58 0.359 -0.087 0.351 25836
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25836
76 1 13 "Average Difference" CA 51 4.426 3.501 2.734 25836
77 1 13 "Average Difference" CB 48 5.583 -0.562 5.614 25836
78 1 13 "Average Difference" HN 50 0.683 -0.180 0.665 25836
79 1 14 "Average Difference" N 50 3.811 -0.223 3.843 25836
80 1 14 "Average Difference" HA 58 0.371 -0.076 0.366 25836
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25836
82 1 14 "Average Difference" CA 51 4.364 3.450 2.699 25836
83 1 14 "Average Difference" CB 48 5.825 -0.414 5.872 25836
84 1 14 "Average Difference" HN 50 0.673 -0.140 0.665 25836
85 1 15 "Average Difference" N 50 3.821 -0.168 3.856 25836
86 1 15 "Average Difference" HA 58 0.426 -0.063 0.425 25836
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25836
88 1 15 "Average Difference" CA 51 4.340 3.375 2.756 25836
89 1 15 "Average Difference" CB 48 5.870 -0.652 5.896 25836
90 1 15 "Average Difference" HN 50 0.679 -0.197 0.657 25836
91 1 16 "Average Difference" N 50 3.603 -0.309 3.626 25836
92 1 16 "Average Difference" HA 58 0.338 -0.066 0.335 25836
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25836
94 1 16 "Average Difference" CA 51 4.305 3.301 2.791 25836
95 1 16 "Average Difference" CB 48 5.653 -0.437 5.696 25836
96 1 16 "Average Difference" HN 50 0.651 -0.200 0.626 25836
97 1 17 "Average Difference" N 50 3.761 -0.067 3.799 25836
98 1 17 "Average Difference" HA 58 0.392 -0.047 0.393 25836
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25836
100 1 17 "Average Difference" CA 51 4.451 3.362 2.947 25836
101 1 17 "Average Difference" CB 48 5.907 -0.442 5.953 25836
102 1 17 "Average Difference" HN 50 0.721 -0.184 0.705 25836
103 1 18 "Average Difference" N 50 3.670 -0.013 3.707 25836
104 1 18 "Average Difference" HA 58 0.387 -0.080 0.382 25836
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25836
106 1 18 "Average Difference" CA 51 4.432 3.445 2.816 25836
107 1 18 "Average Difference" CB 48 5.670 -0.432 5.713 25836
108 1 18 "Average Difference" HN 50 0.680 -0.125 0.675 25836
109 1 19 "Average Difference" N 50 3.433 -0.459 3.437 25836
110 1 19 "Average Difference" HA 58 0.375 -0.098 0.365 25836
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25836
112 1 19 "Average Difference" CA 51 4.391 3.456 2.735 25836
113 1 19 "Average Difference" CB 48 5.808 -0.524 5.845 25836
114 1 19 "Average Difference" HN 50 0.627 -0.185 0.605 25836
115 1 20 "Average Difference" N 50 3.643 -0.525 3.642 25836
116 1 20 "Average Difference" HA 58 0.403 -0.115 0.390 25836
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25836
118 1 20 "Average Difference" CA 51 4.466 3.466 2.844 25836
119 1 20 "Average Difference" CB 48 5.695 -0.449 5.737 25836
120 1 20 "Average Difference" HN 50 0.675 -0.197 0.652 25836
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 25836
_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 THR N N 2 112.683 112.683 116.131 -3.448 25836
2 1 . 1 1 2 2 THR HA H 2 4.483 4.483 4.657 -0.174 25836
3 1 . 1 1 2 2 THR H H 2 8.031 8.031 8.272 -0.241 25836
4 1 . 1 1 3 3 PRO HA H 3 4.312 4.312 4.584 -0.272 25836
5 1 . 1 1 3 3 PRO CA C 3 51.149 51.149 62.664 -11.515 25836
6 1 . 1 1 3 3 PRO CB C 3 29.323 29.323 32.641 -3.318 25836
7 1 . 1 1 4 4 VAL N N 4 120.622 120.622 118.475 2.147 25836
8 1 . 1 1 4 4 VAL HA H 4 4.270 4.270 4.310 -0.040 25836
9 1 . 1 1 4 4 VAL CA C 4 58.505 58.505 61.689 -3.184 25836
10 1 . 1 1 4 4 VAL CB C 4 31.307 31.307 33.288 -1.981 25836
11 1 . 1 1 4 4 VAL H H 4 8.113 8.113 8.184 -0.072 25836
12 1 . 1 1 5 5 GLY N N 5 115.132 115.132 112.925 2.207 25836
13 1 . 1 1 5 5 GLY CA C 5 44.133 44.133 44.882 -0.749 25836
14 1 . 1 1 5 5 GLY H H 5 8.736 8.736 8.502 0.234 25836
15 1 . 1 1 6 6 ASN N N 6 123.501 123.501 119.824 3.677 25836
16 1 . 1 1 6 6 ASN HA H 6 4.728 4.728 4.523 0.205 25836
17 1 . 1 1 6 6 ASN CA C 6 50.698 50.698 54.069 -3.371 25836
18 1 . 1 1 6 6 ASN CB C 6 36.797 36.797 39.026 -2.229 25836
19 1 . 1 1 6 6 ASN H H 6 9.148 9.148 8.741 0.407 25836
20 1 . 1 1 7 7 ASN N N 7 118.968 118.968 117.942 1.025 25836
21 1 . 1 1 7 7 ASN HA H 7 5.295 5.295 4.731 0.564 25836
22 1 . 1 1 7 7 ASN CA C 7 51.671 51.671 54.134 -2.463 25836
23 1 . 1 1 7 7 ASN CB C 7 39.601 39.601 38.369 1.232 25836
24 1 . 1 1 7 7 ASN H H 7 8.515 8.515 8.260 0.255 25836
25 1 . 1 1 8 8 LYS N N 8 123.142 123.142 121.998 1.144 25836
26 1 . 1 1 8 8 LYS HA H 8 3.809 3.809 4.215 -0.406 25836
27 1 . 1 1 8 8 LYS CA C 8 55.264 55.264 57.007 -1.743 25836
28 1 . 1 1 8 8 LYS CB C 8 29.383 29.383 32.775 -3.392 25836
29 1 . 1 1 8 8 LYS H H 8 9.294 9.294 8.516 0.778 25836
30 1 . 1 1 9 9 CYS N N 9 111.161 111.161 118.699 -7.538 25836
31 1 . 1 1 9 9 CYS HA H 9 4.070 4.070 4.235 -0.165 25836
32 1 . 1 1 9 9 CYS CA C 9 51.847 51.847 59.133 -7.286 25836
33 1 . 1 1 9 9 CYS CB C 9 32.263 32.263 25.063 7.200 25836
34 1 . 1 1 9 9 CYS H H 9 6.690 6.690 8.048 -1.358 25836
35 1 . 1 1 10 10 TRP N N 10 119.159 119.159 125.464 -6.305 25836
36 1 . 1 1 10 10 TRP HA H 10 4.937 4.937 4.509 0.428 25836
37 1 . 1 1 10 10 TRP CA C 10 53.032 53.032 57.182 -4.150 25836
38 1 . 1 1 10 10 TRP CB C 10 26.379 26.379 30.503 -4.124 25836
39 1 . 1 1 10 10 TRP H H 10 8.232 8.232 7.998 0.234 25836
40 1 . 1 1 11 11 ALA N N 11 119.150 119.150 122.867 -3.717 25836
41 1 . 1 1 11 11 ALA HA H 11 4.352 4.352 4.315 0.037 25836
42 1 . 1 1 11 11 ALA CA C 11 49.381 49.381 51.733 -2.352 25836
43 1 . 1 1 11 11 ALA CB C 11 17.253 17.253 19.448 -2.195 25836
44 1 . 1 1 11 11 ALA H H 11 8.159 8.159 8.395 -0.236 25836
45 1 . 1 1 12 12 ILE N N 12 121.974 121.974 123.632 -1.658 25836
46 1 . 1 1 12 12 ILE HA H 12 3.599 3.599 3.814 -0.215 25836
47 1 . 1 1 12 12 ILE CA C 12 59.657 59.657 62.660 -3.003 25836
48 1 . 1 1 12 12 ILE CB C 12 34.763 34.763 36.258 -1.495 25836
49 1 . 1 1 12 12 ILE H H 12 8.448 8.448 8.663 -0.215 25836
50 1 . 1 1 13 13 GLY N N 13 114.867 114.867 116.294 -1.427 25836
51 1 . 1 1 13 13 GLY CA C 13 41.954 41.954 44.892 -2.938 25836
52 1 . 1 1 13 13 GLY H H 13 9.649 9.649 8.864 0.785 25836
53 1 . 1 1 14 14 THR N N 14 118.155 118.155 117.253 0.902 25836
54 1 . 1 1 14 14 THR HA H 14 4.049 4.049 4.623 -0.574 25836
55 1 . 1 1 14 14 THR CA C 14 61.464 61.464 61.221 0.243 25836
56 1 . 1 1 14 14 THR CB C 14 67.426 67.426 69.818 -2.392 25836
57 1 . 1 1 14 14 THR H H 14 8.076 8.076 7.950 0.126 25836
58 1 . 1 1 15 15 THR N N 15 123.193 123.193 116.331 6.862 25836
59 1 . 1 1 15 15 THR HA H 15 4.824 4.824 4.470 0.354 25836
60 1 . 1 1 15 15 THR CA C 15 61.148 61.148 62.846 -1.698 25836
61 1 . 1 1 15 15 THR CB C 15 66.798 66.798 69.469 -2.671 25836
62 1 . 1 1 15 15 THR H H 15 8.498 8.498 8.273 0.225 25836
63 1 . 1 1 16 16 CYS N N 16 119.932 119.932 120.937 -1.005 25836
64 1 . 1 1 16 16 CYS HA H 16 5.510 5.510 4.537 0.973 25836
65 1 . 1 1 16 16 CYS CA C 16 50.274 50.274 57.075 -6.801 25836
66 1 . 1 1 16 16 CYS CB C 16 45.557 45.557 29.213 16.344 25836
67 1 . 1 1 16 16 CYS H H 16 8.384 8.384 8.238 0.146 25836
68 1 . 1 1 17 17 SER N N 17 114.553 114.553 117.072 -2.519 25836
69 1 . 1 1 17 17 SER HA H 17 4.676 4.676 4.493 0.183 25836
70 1 . 1 1 17 17 SER CA C 17 56.391 56.391 57.965 -1.575 25836
71 1 . 1 1 17 17 SER CB C 17 62.251 62.251 63.581 -1.330 25836
72 1 . 1 1 17 17 SER H H 17 9.853 9.853 8.485 1.368 25836
73 1 . 1 1 18 18 ASP N N 18 119.019 119.019 121.429 -2.410 25836
74 1 . 1 1 18 18 ASP HA H 18 4.630 4.630 4.246 0.384 25836
75 1 . 1 1 18 18 ASP CA C 18 50.649 50.649 56.082 -5.433 25836
76 1 . 1 1 18 18 ASP CB C 18 41.339 41.339 40.449 0.890 25836
77 1 . 1 1 18 18 ASP H H 18 7.767 7.767 8.004 -0.237 25836
78 1 . 1 1 19 19 ASP N N 19 121.627 121.627 118.519 3.108 25836
79 1 . 1 1 19 19 ASP HA H 19 4.246 4.246 4.285 -0.039 25836
80 1 . 1 1 19 19 ASP CA C 19 55.706 55.706 55.247 0.459 25836
81 1 . 1 1 19 19 ASP CB C 19 37.099 37.099 40.072 -2.973 25836
82 1 . 1 1 19 19 ASP H H 19 8.916 8.916 8.685 0.231 25836
83 1 . 1 1 20 20 CYS N N 20 117.427 117.427 114.619 2.808 25836
84 1 . 1 1 20 20 CYS HA H 20 4.689 4.689 4.057 0.632 25836
85 1 . 1 1 20 20 CYS CA C 20 52.798 52.798 59.722 -6.924 25836
86 1 . 1 1 20 20 CYS CB C 20 36.331 36.331 25.850 10.481 25836
87 1 . 1 1 20 20 CYS H H 20 9.308 9.308 8.667 0.641 25836
88 1 . 1 1 21 21 ASP N N 21 120.031 120.031 120.047 -0.016 25836
89 1 . 1 1 21 21 ASP HA H 21 3.728 3.728 4.396 -0.668 25836
90 1 . 1 1 21 21 ASP CA C 21 53.926 53.926 57.191 -3.265 25836
91 1 . 1 1 21 21 ASP CB C 21 39.032 39.032 40.878 -1.846 25836
92 1 . 1 1 21 21 ASP H H 21 7.897 7.897 8.085 -0.188 25836
93 1 . 1 1 22 22 CYS N N 22 112.949 112.949 115.670 -2.722 25836
94 1 . 1 1 22 22 CYS HA H 22 5.274 5.274 4.613 0.661 25836
95 1 . 1 1 22 22 CYS CA C 22 48.641 48.641 58.545 -9.904 25836
96 1 . 1 1 22 22 CYS CB C 22 36.172 36.172 28.724 7.448 25836
97 1 . 1 1 22 22 CYS H H 22 7.120 7.120 7.933 -0.813 25836
98 1 . 1 1 23 23 CYS N N 23 124.612 124.612 122.270 2.342 25836
99 1 . 1 1 23 23 CYS H H 23 11.256 11.256 8.761 2.495 25836
100 1 . 1 1 24 24 PRO HA H 24 4.046 4.046 4.408 -0.362 25836
101 1 . 1 1 24 24 PRO CA C 24 63.522 63.522 64.981 -1.459 25836
102 1 . 1 1 24 24 PRO CB C 24 37.298 37.298 32.157 5.141 25836
103 1 . 1 1 25 25 GLU N N 25 114.549 114.549 116.113 -1.564 25836
104 1 . 1 1 25 25 GLU HA H 25 4.355 4.355 4.256 0.099 25836
105 1 . 1 1 25 25 GLU CA C 25 54.444 54.444 57.057 -2.613 25836
106 1 . 1 1 25 25 GLU CB C 25 25.751 25.751 29.461 -3.710 25836
107 1 . 1 1 25 25 GLU H H 25 9.041 9.041 8.755 0.286 25836
108 1 . 1 1 26 26 HIS N N 26 123.352 123.352 116.290 7.062 25836
109 1 . 1 1 26 26 HIS HA H 26 5.408 5.408 5.232 0.176 25836
110 1 . 1 1 26 26 HIS CA C 26 50.399 50.399 55.598 -5.199 25836
111 1 . 1 1 26 26 HIS CB C 26 33.143 33.143 33.025 0.118 25836
112 1 . 1 1 26 26 HIS H H 26 8.118 8.118 7.574 0.544 25836
113 1 . 1 1 27 27 HIS N N 27 112.923 112.923 115.776 -2.853 25836
114 1 . 1 1 27 27 HIS HA H 27 4.644 4.644 4.926 -0.282 25836
115 1 . 1 1 27 27 HIS CA C 27 52.622 52.622 55.221 -2.599 25836
116 1 . 1 1 27 27 HIS CB C 27 28.231 28.231 32.877 -4.646 25836
117 1 . 1 1 27 27 HIS H H 27 9.365 9.365 9.122 0.243 25836
118 1 . 1 1 28 28 CYS N N 28 121.103 121.103 120.478 0.625 25836
119 1 . 1 1 28 28 CYS HA H 28 4.803 4.803 4.827 -0.024 25836
120 1 . 1 1 28 28 CYS CA C 28 52.733 52.733 58.518 -5.785 25836
121 1 . 1 1 28 28 CYS CB C 28 34.784 34.784 26.448 8.336 25836
122 1 . 1 1 28 28 CYS H H 28 9.499 9.499 8.388 1.111 25836
123 1 . 1 1 29 29 HIS N N 29 132.381 132.381 125.283 7.098 25836
124 1 . 1 1 29 29 HIS HA H 29 4.524 4.524 4.619 -0.095 25836
125 1 . 1 1 29 29 HIS CA C 29 53.855 53.855 56.134 -2.279 25836
126 1 . 1 1 29 29 HIS CB C 29 28.973 28.973 31.348 -2.375 25836
127 1 . 1 1 29 29 HIS H H 29 8.938 8.938 9.042 -0.104 25836
128 1 . 1 1 30 30 CYS N N 30 127.165 127.165 127.193 -0.028 25836
129 1 . 1 1 30 30 CYS HA H 30 5.146 5.146 4.833 0.313 25836
130 1 . 1 1 30 30 CYS CA C 30 48.824 48.824 56.464 -7.640 25836
131 1 . 1 1 30 30 CYS CB C 30 41.470 41.470 27.481 13.989 25836
132 1 . 1 1 30 30 CYS H H 30 8.400 8.400 8.758 -0.358 25836
133 1 . 1 1 31 31 PRO HA H 31 4.276 4.276 4.394 -0.118 25836
134 1 . 1 1 31 31 PRO CA C 31 60.702 60.702 62.675 -1.973 25836
135 1 . 1 1 31 31 PRO CB C 31 29.441 29.441 32.130 -2.689 25836
136 1 . 1 1 32 32 ALA N N 32 122.630 122.630 120.739 1.891 25836
137 1 . 1 1 32 32 ALA HA H 32 4.430 4.430 4.391 0.039 25836
138 1 . 1 1 32 32 ALA CA C 32 49.453 49.453 51.671 -2.218 25836
139 1 . 1 1 32 32 ALA CB C 32 16.936 16.936 20.599 -3.663 25836
140 1 . 1 1 32 32 ALA H H 32 8.367 8.367 8.088 0.279 25836
141 1 . 1 1 33 33 GLY N N 33 107.375 107.375 108.154 -0.779 25836
142 1 . 1 1 33 33 GLY CA C 33 42.443 42.443 44.710 -2.267 25836
143 1 . 1 1 33 33 GLY H H 33 8.097 8.097 8.267 -0.170 25836
144 1 . 1 1 34 34 LYS N N 34 119.653 119.653 121.747 -2.094 25836
145 1 . 1 1 34 34 LYS HA H 34 4.314 4.314 4.209 0.105 25836
146 1 . 1 1 34 34 LYS CA C 34 61.156 61.156 56.336 4.820 25836
147 1 . 1 1 34 34 LYS CB C 34 30.378 30.378 33.090 -2.712 25836
148 1 . 1 1 34 34 LYS H H 34 7.852 7.852 8.353 -0.501 25836
149 1 . 1 1 35 35 TRP N N 35 122.428 122.428 122.031 0.397 25836
150 1 . 1 1 35 35 TRP CB C 35 27.248 27.248 28.790 -1.542 25836
151 1 . 1 1 35 35 TRP H H 35 8.130 8.130 8.270 -0.140 25836
152 1 . 1 1 36 36 LEU N N 36 125.209 125.209 122.766 2.442 25836
153 1 . 1 1 36 36 LEU HA H 36 4.549 4.549 3.794 0.755 25836
154 1 . 1 1 36 36 LEU CA C 36 50.156 50.156 54.699 -4.543 25836
155 1 . 1 1 36 36 LEU CB C 36 40.225 40.225 40.982 -0.757 25836
156 1 . 1 1 36 36 LEU H H 36 7.460 7.460 7.839 -0.379 25836
157 1 . 1 1 37 37 PRO HA H 37 4.301 4.301 4.466 -0.165 25836
158 1 . 1 1 37 37 PRO CA C 37 56.645 56.645 62.775 -6.129 25836
159 1 . 1 1 38 38 GLY N N 38 109.686 109.686 108.974 0.712 25836
160 1 . 1 1 38 38 GLY CA C 38 42.884 42.884 45.276 -2.392 25836
161 1 . 1 1 38 38 GLY H H 38 8.480 8.480 8.367 0.113 25836
162 1 . 1 1 39 39 LEU N N 39 121.083 121.083 120.453 0.630 25836
163 1 . 1 1 39 39 LEU HA H 39 4.360 4.360 4.219 0.141 25836
164 1 . 1 1 39 39 LEU CA C 39 52.798 52.798 55.184 -2.387 25836
165 1 . 1 1 39 39 LEU CB C 39 40.369 40.369 41.944 -1.575 25836
166 1 . 1 1 39 39 LEU H H 39 7.847 7.847 7.747 0.100 25836
167 1 . 1 1 40 40 PHE N N 40 118.886 118.886 120.569 -1.683 25836
168 1 . 1 1 40 40 PHE HA H 40 4.574 4.574 4.474 0.100 25836
169 1 . 1 1 40 40 PHE CA C 40 54.489 54.489 57.682 -3.193 25836
170 1 . 1 1 40 40 PHE CB C 40 37.271 37.271 39.542 -2.271 25836
171 1 . 1 1 40 40 PHE H H 40 7.868 7.868 7.919 -0.051 25836
172 1 . 1 1 41 41 ARG N N 41 121.171 121.171 121.409 -0.238 25836
173 1 . 1 1 41 41 ARG HA H 41 4.416 4.416 4.375 0.041 25836
174 1 . 1 1 41 41 ARG CA C 41 52.974 52.974 55.581 -2.607 25836
175 1 . 1 1 41 41 ARG CB C 41 29.148 29.148 31.420 -2.272 25836
176 1 . 1 1 41 41 ARG H H 41 7.888 7.888 8.292 -0.404 25836
177 1 . 1 1 42 42 CYS N N 42 123.035 123.035 117.770 5.265 25836
178 1 . 1 1 42 42 CYS HA H 42 5.446 5.446 5.277 0.169 25836
179 1 . 1 1 42 42 CYS CA C 42 53.979 53.979 57.584 -3.605 25836
180 1 . 1 1 42 42 CYS CB C 42 45.543 45.543 29.892 15.650 25836
181 1 . 1 1 42 42 CYS H H 42 8.731 8.731 8.514 0.217 25836
182 1 . 1 1 43 43 THR N N 43 111.223 111.223 112.047 -0.824 25836
183 1 . 1 1 43 43 THR HA H 43 5.402 5.402 4.884 0.518 25836
184 1 . 1 1 43 43 THR CA C 43 57.581 57.581 60.247 -2.666 25836
185 1 . 1 1 43 43 THR CB C 43 71.715 71.715 71.176 0.539 25836
186 1 . 1 1 43 43 THR H H 43 8.659 8.659 8.642 0.017 25836
187 1 . 1 1 44 44 CYS N N 44 120.754 120.754 124.247 -3.493 25836
188 1 . 1 1 44 44 CYS HA H 44 5.329 5.329 5.237 0.092 25836
189 1 . 1 1 44 44 CYS CA C 44 52.398 52.398 59.354 -6.956 25836
190 1 . 1 1 44 44 CYS CB C 44 36.766 36.766 26.694 10.072 25836
191 1 . 1 1 44 44 CYS H H 44 8.404 8.404 8.847 -0.443 25836
192 1 . 1 1 45 45 GLN N N 45 121.589 121.589 125.211 -3.622 25836
193 1 . 1 1 45 45 GLN HA H 45 4.695 4.695 4.838 -0.143 25836
194 1 . 1 1 45 45 GLN CA C 45 51.495 51.495 53.790 -2.295 25836
195 1 . 1 1 45 45 GLN CB C 45 31.136 31.136 33.304 -2.168 25836
196 1 . 1 1 45 45 GLN H H 45 9.247 9.247 9.030 0.217 25836
197 1 . 1 1 46 46 VAL N N 46 119.594 119.594 121.396 -1.802 25836
198 1 . 1 1 46 46 VAL HA H 46 4.149 4.149 3.434 0.714 25836
199 1 . 1 1 46 46 VAL CA C 46 61.358 61.358 63.057 -1.699 25836
200 1 . 1 1 46 46 VAL CB C 46 29.629 29.629 32.203 -2.573 25836
201 1 . 1 1 46 46 VAL H H 46 8.703 8.703 8.579 0.124 25836
202 1 . 1 1 47 47 THR N N 47 118.278 118.278 119.954 -1.676 25836
203 1 . 1 1 47 47 THR HA H 47 4.169 4.169 4.391 -0.222 25836
204 1 . 1 1 47 47 THR CA C 47 59.491 59.491 61.521 -2.030 25836
205 1 . 1 1 47 47 THR CB C 47 66.789 66.789 70.016 -3.227 25836
206 1 . 1 1 47 47 THR H H 47 8.002 8.002 8.279 -0.277 25836
207 1 . 1 1 48 48 GLU HA H 48 4.462 4.462 4.322 0.140 25836
208 1 . 1 1 49 49 SER N N 49 114.478 114.478 115.916 -1.438 25836
209 1 . 1 1 49 49 SER HA H 49 4.291 4.291 4.375 -0.084 25836
210 1 . 1 1 49 49 SER CA C 49 51.081 51.081 58.447 -7.366 25836
211 1 . 1 1 49 49 SER CB C 49 60.846 60.846 63.813 -2.967 25836
212 1 . 1 1 49 49 SER H H 49 8.304 8.304 7.904 0.400 25836
213 1 . 1 1 50 50 ASP N N 50 118.750 118.750 120.053 -1.304 25836
214 1 . 1 1 50 50 ASP HA H 50 4.581 4.581 4.630 -0.049 25836
215 1 . 1 1 50 50 ASP CA C 50 51.426 51.426 54.607 -3.181 25836
216 1 . 1 1 50 50 ASP CB C 50 37.727 37.727 40.391 -2.664 25836
217 1 . 1 1 50 50 ASP H H 50 8.469 8.469 8.568 -0.099 25836
218 1 . 1 1 51 51 LYS N N 51 120.789 120.789 120.114 0.675 25836
219 1 . 1 1 51 51 LYS HA H 51 4.459 4.459 4.434 0.025 25836
220 1 . 1 1 51 51 LYS CA C 51 52.869 52.869 55.633 -2.764 25836
221 1 . 1 1 51 51 LYS CB C 51 26.190 26.190 32.954 -6.764 25836
222 1 . 1 1 51 51 LYS H H 51 7.824 7.824 7.744 0.080 25836
223 1 . 1 1 52 52 VAL N N 52 116.071 116.071 117.826 -1.755 25836
224 1 . 1 1 52 52 VAL HA H 52 4.303 4.303 4.046 0.257 25836
225 1 . 1 1 52 52 VAL CA C 52 57.941 57.941 59.750 -1.809 25836
226 1 . 1 1 52 52 VAL CB C 52 31.464 31.464 33.602 -2.138 25836
227 1 . 1 1 52 52 VAL H H 52 7.653 7.653 7.726 -0.073 25836
228 1 . 1 1 53 53 ASN N N 53 123.498 123.498 119.501 3.997 25836
229 1 . 1 1 53 53 ASN HA H 53 4.374 4.374 4.612 -0.238 25836
230 1 . 1 1 53 53 ASN CA C 53 52.763 52.763 53.641 -0.878 25836
231 1 . 1 1 53 53 ASN CB C 53 37.419 37.419 39.097 -1.678 25836
232 1 . 1 1 53 53 ASN H H 53 8.495 8.495 8.317 0.178 25836
233 1 . 1 1 54 54 LYS N N 54 127.289 127.289 120.635 6.654 25836
234 1 . 1 1 54 54 LYS HA H 54 4.344 4.344 4.176 0.168 25836
235 1 . 1 1 54 54 LYS CA C 54 53.397 53.397 57.380 -3.983 25836
236 1 . 1 1 54 54 LYS CB C 54 29.422 29.422 32.134 -2.712 25836
237 1 . 1 1 54 54 LYS H H 54 10.155 10.155 8.434 1.721 25836
238 1 . 1 1 55 55 CYS N N 55 124.019 124.019 120.521 3.498 25836
239 1 . 1 1 55 55 CYS HA H 55 4.689 4.689 4.572 0.117 25836
240 1 . 1 1 55 55 CYS CA C 55 52.235 52.235 57.660 -5.424 25836
241 1 . 1 1 55 55 CYS CB C 55 40.134 40.134 26.828 13.306 25836
242 1 . 1 1 55 55 CYS H H 55 8.698 8.698 8.079 0.619 25836
243 1 . 1 1 57 57 PRO HA H 57 4.589 4.589 4.353 0.236 25836
244 1 . 1 1 57 57 PRO CB C 57 29.744 29.744 31.219 -1.475 25836
245 1 . 1 1 58 58 ALA N N 58 123.825 123.825 121.070 2.755 25836
246 1 . 1 1 58 58 ALA HA H 58 4.351 4.351 4.305 0.046 25836
247 1 . 1 1 58 58 ALA CA C 58 49.557 49.557 52.298 -2.741 25836
248 1 . 1 1 58 58 ALA CB C 58 16.910 16.910 19.280 -2.370 25836
249 1 . 1 1 58 58 ALA H H 58 8.426 8.426 8.247 0.179 25836
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