data_18358
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18358
_Entry.PDB_ID 2LRE
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 18358
_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 8 8 LEU N N 8 117.542 117.542 116.556 0.986 18358
2 1 1 . 1 1 8 8 LEU HA H 8 4.121 4.121 3.893 0.228 18358
3 1 1 . 1 1 8 8 LEU H H 8 7.735 7.735 8.594 -0.859 18358
4 1 1 . 1 1 9 9 LYS N N 9 123.335 123.335 118.921 4.414 18358
5 1 1 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.350 -0.272 18358
6 1 1 . 1 1 9 9 LYS H H 9 7.831 7.831 8.380 -0.549 18358
7 1 1 . 1 1 10 10 LYS N N 10 121.522 121.522 118.619 2.903 18358
8 1 1 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.245 -0.588 18358
9 1 1 . 1 1 10 10 LYS H H 10 8.627 8.627 8.179 0.448 18358
10 1 1 . 1 1 11 11 VAL N N 11 117.576 117.576 119.777 -2.201 18358
11 1 1 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.955 -0.222 18358
12 1 1 . 1 1 11 11 VAL H H 11 7.491 7.491 7.418 0.073 18358
13 1 1 . 1 1 12 12 ALA N N 12 123.018 123.018 122.378 0.640 18358
14 1 1 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.340 -0.209 18358
15 1 1 . 1 1 12 12 ALA H H 12 7.898 7.898 7.558 0.340 18358
16 1 1 . 1 1 13 13 CYS N N 13 113.951 113.951 114.898 -0.947 18358
17 1 1 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.531 0.056 18358
18 1 1 . 1 1 13 13 CYS H H 13 8.394 8.394 7.466 0.928 18358
19 1 1 . 1 1 14 14 ALA N N 14 124.346 124.346 122.056 2.290 18358
20 1 1 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.213 -0.186 18358
21 1 1 . 1 1 14 14 ALA H H 14 7.549 7.549 7.926 -0.377 18358
22 1 1 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.407 -0.204 18358
23 1 1 . 1 1 16 16 ALA N N 16 124.554 124.554 122.346 2.208 18358
24 1 1 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.199 -0.124 18358
25 1 1 . 1 1 16 16 ALA H H 16 8.570 8.570 7.657 0.913 18358
26 1 1 . 1 1 17 17 ILE N N 17 119.462 119.462 119.848 -0.386 18358
27 1 1 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.588 -0.172 18358
28 1 1 . 1 1 17 17 ILE H H 17 8.475 8.475 7.568 0.907 18358
29 1 1 . 1 1 18 18 ALA N N 18 121.295 121.295 121.660 -0.365 18358
30 1 1 . 1 1 18 18 ALA HA H 18 4.069 4.069 3.956 0.113 18358
31 1 1 . 1 1 18 18 ALA H H 18 8.288 8.288 7.737 0.551 18358
32 1 1 . 1 1 19 19 GLY N N 19 105.669 105.669 105.420 0.249 18358
33 1 1 . 1 1 19 19 GLY H H 19 8.399 8.399 7.612 0.787 18358
34 1 1 . 1 1 20 20 ALA N N 20 127.175 127.175 123.099 4.076 18358
35 1 1 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.345 -0.264 18358
36 1 1 . 1 1 20 20 ALA H H 20 7.972 7.972 7.686 0.286 18358
37 1 1 . 1 1 21 21 VAL N N 21 118.978 118.978 119.855 -0.877 18358
38 1 1 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.759 -0.394 18358
39 1 1 . 1 1 21 21 VAL H H 21 8.435 8.435 8.381 0.054 18358
40 1 1 . 1 1 22 22 ALA N N 22 121.005 121.005 120.407 0.598 18358
41 1 1 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.166 -0.092 18358
42 1 1 . 1 1 22 22 ALA H H 22 7.835 7.835 7.669 0.166 18358
43 1 1 . 1 1 23 23 ALA N N 23 121.200 121.200 119.638 1.562 18358
44 1 1 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.342 -0.279 18358
45 1 1 . 1 1 23 23 ALA H H 23 8.062 8.062 7.476 0.586 18358
46 1 1 . 1 1 24 24 CYS N N 24 114.529 114.529 118.875 -4.346 18358
47 1 1 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.674 -0.186 18358
48 1 1 . 1 1 24 24 CYS H H 24 8.045 8.045 7.526 0.519 18358
49 1 1 . 1 1 25 25 GLY N N 25 109.695 109.695 112.321 -2.626 18358
50 1 1 . 1 1 25 25 GLY H H 25 7.916 7.916 8.733 -0.817 18358
51 1 1 . 1 1 26 26 GLY N N 26 107.481 107.481 108.812 -1.331 18358
52 1 1 . 1 1 26 26 GLY H H 26 8.056 8.056 7.940 0.116 18358
53 1 1 . 1 1 27 27 ILE N N 27 117.952 117.952 118.436 -0.484 18358
54 1 1 . 1 1 27 27 ILE HA H 27 3.745 3.745 3.827 -0.082 18358
55 1 1 . 1 1 27 27 ILE H H 27 8.342 8.342 8.365 -0.023 18358
56 1 1 . 1 1 28 28 ASP N N 28 128.285 128.285 121.704 6.581 18358
57 1 1 . 1 1 28 28 ASP H H 28 7.060 7.060 8.175 -1.115 18358
58 1 1 . 1 1 29 29 LEU N N 29 124.546 124.546 121.495 3.051 18358
59 1 1 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.620 -0.618 18358
60 1 1 . 1 1 29 29 LEU H H 29 8.907 8.907 8.186 0.721 18358
61 1 1 . 1 1 31 31 CYS N N 31 117.630 117.630 116.356 1.274 18358
62 1 1 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.439 -0.272 18358
63 1 1 . 1 1 31 31 CYS H H 31 7.340 7.340 7.931 -0.591 18358
64 1 1 . 1 1 32 32 VAL N N 32 124.340 124.340 120.845 3.495 18358
65 1 1 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.881 -0.703 18358
66 1 1 . 1 1 32 32 VAL H H 32 8.718 8.718 7.698 1.020 18358
67 1 1 . 1 1 33 33 LEU N N 33 117.743 117.743 121.889 -4.146 18358
68 1 1 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.984 -0.292 18358
69 1 1 . 1 1 33 33 LEU H H 33 8.512 8.512 8.201 0.311 18358
70 1 1 . 1 1 34 34 ALA N N 34 120.707 120.707 121.226 -0.519 18358
71 1 1 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.039 0.028 18358
72 1 1 . 1 1 34 34 ALA H H 34 7.508 7.508 7.578 -0.070 18358
73 1 1 . 1 1 35 35 ALA N N 35 121.539 121.539 118.040 3.499 18358
74 1 1 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.540 -0.366 18358
75 1 1 . 1 1 35 35 ALA H H 35 7.765 7.765 7.654 0.111 18358
76 1 1 . 1 1 36 36 LEU N N 36 116.961 116.961 120.018 -3.057 18358
77 1 1 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.395 -0.188 18358
78 1 1 . 1 1 36 36 LEU H H 36 8.322 8.322 7.479 0.843 18358
79 1 1 . 1 1 37 37 LYS N N 37 121.909 121.909 118.447 3.462 18358
80 1 1 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.325 -0.337 18358
81 1 1 . 1 1 37 37 LYS H H 37 7.335 7.335 7.611 -0.276 18358
82 1 1 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.890 -0.100 18358
83 1 1 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.019 -0.034 18358
84 1 1 . 1 1 45 45 CYS N N 45 118.951 118.951 120.756 -1.805 18358
85 1 1 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.650 -0.309 18358
86 1 1 . 1 1 45 45 CYS H H 45 7.104 7.104 8.313 -1.209 18358
87 1 1 . 1 1 46 46 PHE N N 46 120.196 120.196 120.871 -0.675 18358
88 1 1 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.736 -0.137 18358
89 1 1 . 1 1 46 46 PHE H H 46 7.984 7.984 7.727 0.257 18358
90 1 1 . 1 1 47 47 CYS N N 47 115.827 115.827 118.928 -3.101 18358
91 1 1 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.559 -0.240 18358
92 1 1 . 1 1 47 47 CYS H H 47 8.773 8.773 8.184 0.589 18358
93 1 1 . 1 1 48 48 GLU N N 48 117.841 117.841 120.835 -2.994 18358
94 1 1 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.075 -0.146 18358
95 1 1 . 1 1 48 48 GLU H H 48 7.775 7.775 8.080 -0.305 18358
96 1 1 . 1 1 49 49 ASP N N 49 116.149 116.149 116.240 -0.091 18358
97 1 1 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.477 0.013 18358
98 1 1 . 1 1 49 49 ASP H H 49 6.791 6.791 8.424 -1.633 18358
99 1 1 . 1 1 50 50 HIS N N 50 121.887 121.887 119.320 2.567 18358
100 1 1 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.697 -0.214 18358
101 1 1 . 1 1 50 50 HIS H H 50 7.016 7.016 7.953 -0.937 18358
102 1 1 . 1 1 51 51 CYS N N 51 118.443 118.443 120.906 -2.463 18358
103 1 1 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.717 -0.227 18358
104 1 1 . 1 1 51 51 CYS H H 51 8.059 8.059 8.321 -0.262 18358
105 1 1 . 1 1 52 52 HIS N N 52 123.835 123.835 121.432 2.403 18358
106 1 1 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.532 0.049 18358
107 1 1 . 1 1 52 52 HIS H H 52 8.294 8.294 8.480 -0.186 18358
108 1 1 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.545 0.468 18358
109 1 1 . 1 1 55 55 CYS N N 55 116.926 116.926 117.850 -0.924 18358
110 1 1 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.177 0.052 18358
111 1 1 . 1 1 55 55 CYS H H 55 7.314 7.314 8.293 -0.979 18358
112 1 1 . 1 1 56 56 LYS N N 56 117.865 117.865 121.272 -3.407 18358
113 1 1 . 1 1 56 56 LYS HA H 56 4.115 4.115 3.957 0.158 18358
114 1 1 . 1 1 56 56 LYS H H 56 6.427 6.427 8.157 -1.730 18358
115 1 1 . 1 1 57 57 ASP N N 57 122.411 122.411 119.210 3.201 18358
116 1 1 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.475 -0.369 18358
117 1 1 . 1 1 57 57 ASP H H 57 8.415 8.415 8.055 0.360 18358
118 1 1 . 1 1 58 58 LEU N N 58 115.608 115.608 116.626 -1.018 18358
119 1 1 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.457 -0.245 18358
120 1 1 . 1 1 58 58 LEU H H 58 7.593 7.593 7.345 0.248 18358
121 1 1 . 1 1 59 59 HIS N N 59 113.919 113.919 118.284 -4.365 18358
122 1 1 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.338 -0.022 18358
123 1 1 . 1 1 59 59 HIS H H 59 7.866 7.866 7.524 0.342 18358
124 1 1 . 1 1 60 60 LEU N N 60 116.798 116.798 124.041 -7.243 18358
125 1 1 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.627 -0.336 18358
126 1 1 . 1 1 60 60 LEU H H 60 7.762 7.762 8.139 -0.377 18358
127 1 2 . 1 1 8 8 LEU N N 8 117.542 117.542 118.322 -0.780 18358
128 1 2 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.134 -0.013 18358
129 1 2 . 1 1 8 8 LEU H H 8 7.735 7.735 8.268 -0.533 18358
130 1 2 . 1 1 9 9 LYS N N 9 123.335 123.335 117.556 5.779 18358
131 1 2 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.265 -0.187 18358
132 1 2 . 1 1 9 9 LYS H H 9 7.831 7.831 7.613 0.218 18358
133 1 2 . 1 1 10 10 LYS N N 10 121.522 121.522 119.669 1.853 18358
134 1 2 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.563 -0.906 18358
135 1 2 . 1 1 10 10 LYS H H 10 8.627 8.627 7.562 1.065 18358
136 1 2 . 1 1 11 11 VAL N N 11 117.576 117.576 118.276 -0.700 18358
137 1 2 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.658 0.075 18358
138 1 2 . 1 1 11 11 VAL H H 11 7.491 7.491 8.422 -0.931 18358
139 1 2 . 1 1 12 12 ALA N N 12 123.018 123.018 120.144 2.874 18358
140 1 2 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.019 0.112 18358
141 1 2 . 1 1 12 12 ALA H H 12 7.898 7.898 8.155 -0.257 18358
142 1 2 . 1 1 13 13 CYS N N 13 113.951 113.951 108.442 5.509 18358
143 1 2 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.040 0.547 18358
144 1 2 . 1 1 13 13 CYS H H 13 8.394 8.394 8.048 0.346 18358
145 1 2 . 1 1 14 14 ALA N N 14 124.346 124.346 124.410 -0.064 18358
146 1 2 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.439 -0.412 18358
147 1 2 . 1 1 14 14 ALA H H 14 7.549 7.549 7.498 0.051 18358
148 1 2 . 1 1 15 15 ALA HA H 15 4.203 4.203 3.929 0.274 18358
149 1 2 . 1 1 16 16 ALA N N 16 124.554 124.554 121.633 2.921 18358
150 1 2 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.115 -0.040 18358
151 1 2 . 1 1 16 16 ALA H H 16 8.570 8.570 8.221 0.349 18358
152 1 2 . 1 1 17 17 ILE N N 17 119.462 119.462 118.509 0.953 18358
153 1 2 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.692 -0.276 18358
154 1 2 . 1 1 17 17 ILE H H 17 8.475 8.475 7.489 0.986 18358
155 1 2 . 1 1 18 18 ALA N N 18 121.295 121.295 120.967 0.328 18358
156 1 2 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.005 0.064 18358
157 1 2 . 1 1 18 18 ALA H H 18 8.288 8.288 8.380 -0.092 18358
158 1 2 . 1 1 19 19 GLY N N 19 105.669 105.669 104.422 1.247 18358
159 1 2 . 1 1 19 19 GLY H H 19 8.399 8.399 7.801 0.598 18358
160 1 2 . 1 1 20 20 ALA N N 20 127.175 127.175 123.977 3.198 18358
161 1 2 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.316 -0.235 18358
162 1 2 . 1 1 20 20 ALA H H 20 7.972 7.972 7.273 0.699 18358
163 1 2 . 1 1 21 21 VAL N N 21 118.978 118.978 119.404 -0.426 18358
164 1 2 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.609 -0.244 18358
165 1 2 . 1 1 21 21 VAL H H 21 8.435 8.435 7.484 0.951 18358
166 1 2 . 1 1 22 22 ALA N N 22 121.005 121.005 120.895 0.110 18358
167 1 2 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.168 -0.094 18358
168 1 2 . 1 1 22 22 ALA H H 22 7.835 7.835 7.756 0.079 18358
169 1 2 . 1 1 23 23 ALA N N 23 121.200 121.200 119.962 1.238 18358
170 1 2 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.182 -0.119 18358
171 1 2 . 1 1 23 23 ALA H H 23 8.062 8.062 7.667 0.395 18358
172 1 2 . 1 1 24 24 CYS N N 24 114.529 114.529 116.078 -1.549 18358
173 1 2 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.573 -0.085 18358
174 1 2 . 1 1 24 24 CYS H H 24 8.045 8.045 7.689 0.356 18358
175 1 2 . 1 1 25 25 GLY N N 25 109.695 109.695 109.336 0.359 18358
176 1 2 . 1 1 25 25 GLY H H 25 7.916 7.916 8.116 -0.200 18358
177 1 2 . 1 1 26 26 GLY N N 26 107.481 107.481 111.053 -3.572 18358
178 1 2 . 1 1 26 26 GLY H H 26 8.056 8.056 7.766 0.290 18358
179 1 2 . 1 1 27 27 ILE N N 27 117.952 117.952 122.062 -4.110 18358
180 1 2 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.562 -0.817 18358
181 1 2 . 1 1 27 27 ILE H H 27 8.342 8.342 8.400 -0.058 18358
182 1 2 . 1 1 28 28 ASP N N 28 128.285 128.285 129.243 -0.958 18358
183 1 2 . 1 1 28 28 ASP H H 28 7.060 7.060 8.575 -1.515 18358
184 1 2 . 1 1 29 29 LEU N N 29 124.546 124.546 116.907 7.639 18358
185 1 2 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.738 -0.736 18358
186 1 2 . 1 1 29 29 LEU H H 29 8.907 8.907 7.941 0.966 18358
187 1 2 . 1 1 31 31 CYS N N 31 117.630 117.630 116.493 1.137 18358
188 1 2 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.458 -0.291 18358
189 1 2 . 1 1 31 31 CYS H H 31 7.340 7.340 8.432 -1.092 18358
190 1 2 . 1 1 32 32 VAL N N 32 124.340 124.340 121.956 2.384 18358
191 1 2 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.864 -0.686 18358
192 1 2 . 1 1 32 32 VAL H H 32 8.718 8.718 8.136 0.582 18358
193 1 2 . 1 1 33 33 LEU N N 33 117.743 117.743 123.049 -5.306 18358
194 1 2 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.937 -0.245 18358
195 1 2 . 1 1 33 33 LEU H H 33 8.512 8.512 8.077 0.435 18358
196 1 2 . 1 1 34 34 ALA N N 34 120.707 120.707 116.596 4.111 18358
197 1 2 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.046 0.021 18358
198 1 2 . 1 1 34 34 ALA H H 34 7.508 7.508 8.597 -1.089 18358
199 1 2 . 1 1 35 35 ALA N N 35 121.539 121.539 120.437 1.102 18358
200 1 2 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.542 -0.368 18358
201 1 2 . 1 1 35 35 ALA H H 35 7.765 7.765 7.670 0.095 18358
202 1 2 . 1 1 36 36 LEU N N 36 116.961 116.961 115.490 1.471 18358
203 1 2 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.678 -0.471 18358
204 1 2 . 1 1 36 36 LEU H H 36 8.322 8.322 7.372 0.950 18358
205 1 2 . 1 1 37 37 LYS N N 37 121.909 121.909 118.607 3.302 18358
206 1 2 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.955 0.033 18358
207 1 2 . 1 1 37 37 LYS H H 37 7.335 7.335 7.668 -0.333 18358
208 1 2 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.708 0.082 18358
209 1 2 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.585 -0.600 18358
210 1 2 . 1 1 45 45 CYS N N 45 118.951 118.951 116.912 2.039 18358
211 1 2 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.761 -0.420 18358
212 1 2 . 1 1 45 45 CYS H H 45 7.104 7.104 7.975 -0.871 18358
213 1 2 . 1 1 46 46 PHE N N 46 120.196 120.196 122.629 -2.433 18358
214 1 2 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.319 0.280 18358
215 1 2 . 1 1 46 46 PHE H H 46 7.984 7.984 8.090 -0.106 18358
216 1 2 . 1 1 47 47 CYS N N 47 115.827 115.827 118.015 -2.188 18358
217 1 2 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.425 -0.106 18358
218 1 2 . 1 1 47 47 CYS H H 47 8.773 8.773 7.885 0.888 18358
219 1 2 . 1 1 48 48 GLU N N 48 117.841 117.841 120.574 -2.733 18358
220 1 2 . 1 1 48 48 GLU HA H 48 3.929 3.929 3.880 0.049 18358
221 1 2 . 1 1 48 48 GLU H H 48 7.775 7.775 7.428 0.347 18358
222 1 2 . 1 1 49 49 ASP N N 49 116.149 116.149 115.500 0.649 18358
223 1 2 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.484 0.006 18358
224 1 2 . 1 1 49 49 ASP H H 49 6.791 6.791 7.942 -1.151 18358
225 1 2 . 1 1 50 50 HIS N N 50 121.887 121.887 117.693 4.194 18358
226 1 2 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.438 0.045 18358
227 1 2 . 1 1 50 50 HIS H H 50 7.016 7.016 7.285 -0.269 18358
228 1 2 . 1 1 51 51 CYS N N 51 118.443 118.443 120.270 -1.827 18358
229 1 2 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.512 -0.022 18358
230 1 2 . 1 1 51 51 CYS H H 51 8.059 8.059 7.663 0.396 18358
231 1 2 . 1 1 52 52 HIS N N 52 123.835 123.835 116.742 7.093 18358
232 1 2 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.722 -0.141 18358
233 1 2 . 1 1 52 52 HIS H H 52 8.294 8.294 7.606 0.688 18358
234 1 2 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.884 0.129 18358
235 1 2 . 1 1 55 55 CYS N N 55 116.926 116.926 118.425 -1.499 18358
236 1 2 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.381 -0.152 18358
237 1 2 . 1 1 55 55 CYS H H 55 7.314 7.314 8.209 -0.895 18358
238 1 2 . 1 1 56 56 LYS N N 56 117.865 117.865 120.353 -2.488 18358
239 1 2 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.170 -0.055 18358
240 1 2 . 1 1 56 56 LYS H H 56 6.427 6.427 7.834 -1.407 18358
241 1 2 . 1 1 57 57 ASP N N 57 122.411 122.411 119.622 2.789 18358
242 1 2 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.512 -0.406 18358
243 1 2 . 1 1 57 57 ASP H H 57 8.415 8.415 7.944 0.471 18358
244 1 2 . 1 1 58 58 LEU N N 58 115.608 115.608 116.629 -1.021 18358
245 1 2 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.432 -0.220 18358
246 1 2 . 1 1 58 58 LEU H H 58 7.593 7.593 7.217 0.376 18358
247 1 2 . 1 1 59 59 HIS N N 59 113.919 113.919 117.791 -3.872 18358
248 1 2 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.299 0.017 18358
249 1 2 . 1 1 59 59 HIS H H 59 7.866 7.866 7.772 0.094 18358
250 1 2 . 1 1 60 60 LEU N N 60 116.798 116.798 121.541 -4.743 18358
251 1 2 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.631 -0.340 18358
252 1 2 . 1 1 60 60 LEU H H 60 7.762 7.762 8.477 -0.715 18358
253 1 3 . 1 1 8 8 LEU N N 8 117.542 117.542 117.582 -0.040 18358
254 1 3 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.075 0.046 18358
255 1 3 . 1 1 8 8 LEU H H 8 7.735 7.735 8.081 -0.346 18358
256 1 3 . 1 1 9 9 LYS N N 9 123.335 123.335 115.321 8.014 18358
257 1 3 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.239 -0.161 18358
258 1 3 . 1 1 9 9 LYS H H 9 7.831 7.831 8.019 -0.188 18358
259 1 3 . 1 1 10 10 LYS N N 10 121.522 121.522 121.089 0.433 18358
260 1 3 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.432 -0.775 18358
261 1 3 . 1 1 10 10 LYS H H 10 8.627 8.627 7.382 1.245 18358
262 1 3 . 1 1 11 11 VAL N N 11 117.576 117.576 116.459 1.117 18358
263 1 3 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.647 0.086 18358
264 1 3 . 1 1 11 11 VAL H H 11 7.491 7.491 8.302 -0.811 18358
265 1 3 . 1 1 12 12 ALA N N 12 123.018 123.018 120.407 2.611 18358
266 1 3 . 1 1 12 12 ALA HA H 12 4.131 4.131 3.930 0.201 18358
267 1 3 . 1 1 12 12 ALA H H 12 7.898 7.898 7.891 0.007 18358
268 1 3 . 1 1 13 13 CYS N N 13 113.951 113.951 109.478 4.473 18358
269 1 3 . 1 1 13 13 CYS HA H 13 4.587 4.587 3.891 0.696 18358
270 1 3 . 1 1 13 13 CYS H H 13 8.394 8.394 8.332 0.062 18358
271 1 3 . 1 1 14 14 ALA N N 14 124.346 124.346 123.205 1.141 18358
272 1 3 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.138 -0.111 18358
273 1 3 . 1 1 14 14 ALA H H 14 7.549 7.549 7.803 -0.254 18358
274 1 3 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.305 -0.102 18358
275 1 3 . 1 1 16 16 ALA N N 16 124.554 124.554 119.863 4.691 18358
276 1 3 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.363 -0.288 18358
277 1 3 . 1 1 16 16 ALA H H 16 8.570 8.570 7.557 1.013 18358
278 1 3 . 1 1 17 17 ILE N N 17 119.462 119.462 121.052 -1.590 18358
279 1 3 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.779 -0.363 18358
280 1 3 . 1 1 17 17 ILE H H 17 8.475 8.475 8.347 0.128 18358
281 1 3 . 1 1 18 18 ALA N N 18 121.295 121.295 121.584 -0.289 18358
282 1 3 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.057 0.012 18358
283 1 3 . 1 1 18 18 ALA H H 18 8.288 8.288 7.625 0.663 18358
284 1 3 . 1 1 19 19 GLY N N 19 105.669 105.669 104.978 0.691 18358
285 1 3 . 1 1 19 19 GLY H H 19 8.399 8.399 8.099 0.300 18358
286 1 3 . 1 1 20 20 ALA N N 20 127.175 127.175 124.077 3.098 18358
287 1 3 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.257 -0.176 18358
288 1 3 . 1 1 20 20 ALA H H 20 7.972 7.972 7.381 0.591 18358
289 1 3 . 1 1 21 21 VAL N N 21 118.978 118.978 119.084 -0.106 18358
290 1 3 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.645 -0.280 18358
291 1 3 . 1 1 21 21 VAL H H 21 8.435 8.435 7.358 1.077 18358
292 1 3 . 1 1 22 22 ALA N N 22 121.005 121.005 120.269 0.736 18358
293 1 3 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.056 0.018 18358
294 1 3 . 1 1 22 22 ALA H H 22 7.835 7.835 7.651 0.184 18358
295 1 3 . 1 1 23 23 ALA N N 23 121.200 121.200 120.144 1.056 18358
296 1 3 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.114 -0.051 18358
297 1 3 . 1 1 23 23 ALA H H 23 8.062 8.062 7.902 0.160 18358
298 1 3 . 1 1 24 24 CYS N N 24 114.529 114.529 115.291 -0.762 18358
299 1 3 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.591 -0.103 18358
300 1 3 . 1 1 24 24 CYS H H 24 8.045 8.045 7.864 0.181 18358
301 1 3 . 1 1 25 25 GLY N N 25 109.695 109.695 109.910 -0.215 18358
302 1 3 . 1 1 25 25 GLY H H 25 7.916 7.916 8.260 -0.344 18358
303 1 3 . 1 1 26 26 GLY N N 26 107.481 107.481 108.645 -1.164 18358
304 1 3 . 1 1 26 26 GLY H H 26 8.056 8.056 7.672 0.384 18358
305 1 3 . 1 1 27 27 ILE N N 27 117.952 117.952 120.851 -2.899 18358
306 1 3 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.439 -0.694 18358
307 1 3 . 1 1 27 27 ILE H H 27 8.342 8.342 8.404 -0.062 18358
308 1 3 . 1 1 28 28 ASP N N 28 128.285 128.285 128.324 -0.039 18358
309 1 3 . 1 1 28 28 ASP H H 28 7.060 7.060 8.790 -1.730 18358
310 1 3 . 1 1 29 29 LEU N N 29 124.546 124.546 117.596 6.950 18358
311 1 3 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.593 -0.591 18358
312 1 3 . 1 1 29 29 LEU H H 29 8.907 8.907 7.876 1.031 18358
313 1 3 . 1 1 31 31 CYS N N 31 117.630 117.630 114.145 3.485 18358
314 1 3 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.684 -0.517 18358
315 1 3 . 1 1 31 31 CYS H H 31 7.340 7.340 7.951 -0.611 18358
316 1 3 . 1 1 32 32 VAL N N 32 124.340 124.340 122.301 2.039 18358
317 1 3 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.920 -0.742 18358
318 1 3 . 1 1 32 32 VAL H H 32 8.718 8.718 8.024 0.694 18358
319 1 3 . 1 1 33 33 LEU N N 33 117.743 117.743 118.232 -0.489 18358
320 1 3 . 1 1 33 33 LEU HA H 33 3.692 3.692 4.108 -0.416 18358
321 1 3 . 1 1 33 33 LEU H H 33 8.512 8.512 7.641 0.871 18358
322 1 3 . 1 1 34 34 ALA N N 34 120.707 120.707 124.627 -3.920 18358
323 1 3 . 1 1 34 34 ALA HA H 34 4.067 4.067 3.999 0.068 18358
324 1 3 . 1 1 34 34 ALA H H 34 7.508 7.508 7.566 -0.058 18358
325 1 3 . 1 1 35 35 ALA N N 35 121.539 121.539 117.237 4.302 18358
326 1 3 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.437 -0.263 18358
327 1 3 . 1 1 35 35 ALA H H 35 7.765 7.765 7.981 -0.216 18358
328 1 3 . 1 1 36 36 LEU N N 36 116.961 116.961 119.865 -2.904 18358
329 1 3 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.577 -0.370 18358
330 1 3 . 1 1 36 36 LEU H H 36 8.322 8.322 7.476 0.846 18358
331 1 3 . 1 1 37 37 LYS N N 37 121.909 121.909 121.004 0.905 18358
332 1 3 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.089 -0.101 18358
333 1 3 . 1 1 37 37 LYS H H 37 7.335 7.335 8.127 -0.792 18358
334 1 3 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.602 0.188 18358
335 1 3 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.709 -0.724 18358
336 1 3 . 1 1 45 45 CYS N N 45 118.951 118.951 118.403 0.548 18358
337 1 3 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.391 -0.050 18358
338 1 3 . 1 1 45 45 CYS H H 45 7.104 7.104 8.510 -1.406 18358
339 1 3 . 1 1 46 46 PHE N N 46 120.196 120.196 120.846 -0.650 18358
340 1 3 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.556 0.043 18358
341 1 3 . 1 1 46 46 PHE H H 46 7.984 7.984 7.847 0.137 18358
342 1 3 . 1 1 47 47 CYS N N 47 115.827 115.827 117.211 -1.384 18358
343 1 3 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.529 -0.210 18358
344 1 3 . 1 1 47 47 CYS H H 47 8.773 8.773 7.883 0.890 18358
345 1 3 . 1 1 48 48 GLU N N 48 117.841 117.841 122.918 -5.077 18358
346 1 3 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.158 -0.229 18358
347 1 3 . 1 1 48 48 GLU H H 48 7.775 7.775 7.958 -0.183 18358
348 1 3 . 1 1 49 49 ASP N N 49 116.149 116.149 116.165 -0.016 18358
349 1 3 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.601 -0.111 18358
350 1 3 . 1 1 49 49 ASP H H 49 6.791 6.791 8.287 -1.496 18358
351 1 3 . 1 1 50 50 HIS N N 50 121.887 121.887 118.797 3.090 18358
352 1 3 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.887 -0.404 18358
353 1 3 . 1 1 50 50 HIS H H 50 7.016 7.016 7.924 -0.908 18358
354 1 3 . 1 1 51 51 CYS N N 51 118.443 118.443 120.707 -2.264 18358
355 1 3 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.852 -0.362 18358
356 1 3 . 1 1 51 51 CYS H H 51 8.059 8.059 8.088 -0.029 18358
357 1 3 . 1 1 52 52 HIS N N 52 123.835 123.835 117.528 6.307 18358
358 1 3 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.863 -0.282 18358
359 1 3 . 1 1 52 52 HIS H H 52 8.294 8.294 8.109 0.185 18358
360 1 3 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.832 0.181 18358
361 1 3 . 1 1 55 55 CYS N N 55 116.926 116.926 118.140 -1.214 18358
362 1 3 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.151 0.078 18358
363 1 3 . 1 1 55 55 CYS H H 55 7.314 7.314 8.277 -0.963 18358
364 1 3 . 1 1 56 56 LYS N N 56 117.865 117.865 118.786 -0.921 18358
365 1 3 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.485 -0.370 18358
366 1 3 . 1 1 56 56 LYS H H 56 6.427 6.427 7.955 -1.528 18358
367 1 3 . 1 1 57 57 ASP N N 57 122.411 122.411 120.900 1.511 18358
368 1 3 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.571 -0.465 18358
369 1 3 . 1 1 57 57 ASP H H 57 8.415 8.415 7.720 0.695 18358
370 1 3 . 1 1 58 58 LEU N N 58 115.608 115.608 117.945 -2.337 18358
371 1 3 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.401 -0.189 18358
372 1 3 . 1 1 58 58 LEU H H 58 7.593 7.593 7.499 0.094 18358
373 1 3 . 1 1 59 59 HIS N N 59 113.919 113.919 119.326 -5.407 18358
374 1 3 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.310 0.006 18358
375 1 3 . 1 1 59 59 HIS H H 59 7.866 7.866 7.842 0.024 18358
376 1 3 . 1 1 60 60 LEU N N 60 116.798 116.798 119.067 -2.269 18358
377 1 3 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.742 -0.451 18358
378 1 3 . 1 1 60 60 LEU H H 60 7.762 7.762 8.330 -0.568 18358
379 1 4 . 1 1 8 8 LEU N N 8 117.542 117.542 115.250 2.292 18358
380 1 4 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.516 -0.395 18358
381 1 4 . 1 1 8 8 LEU H H 8 7.735 7.735 7.813 -0.078 18358
382 1 4 . 1 1 9 9 LYS N N 9 123.335 123.335 119.267 4.068 18358
383 1 4 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.391 -0.313 18358
384 1 4 . 1 1 9 9 LYS H H 9 7.831 7.831 8.339 -0.508 18358
385 1 4 . 1 1 10 10 LYS N N 10 121.522 121.522 117.854 3.668 18358
386 1 4 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.249 -0.592 18358
387 1 4 . 1 1 10 10 LYS H H 10 8.627 8.627 7.499 1.128 18358
388 1 4 . 1 1 11 11 VAL N N 11 117.576 117.576 118.262 -0.686 18358
389 1 4 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.670 0.063 18358
390 1 4 . 1 1 11 11 VAL H H 11 7.491 7.491 8.111 -0.620 18358
391 1 4 . 1 1 12 12 ALA N N 12 123.018 123.018 118.649 4.369 18358
392 1 4 . 1 1 12 12 ALA HA H 12 4.131 4.131 3.868 0.263 18358
393 1 4 . 1 1 12 12 ALA H H 12 7.898 7.898 8.663 -0.765 18358
394 1 4 . 1 1 13 13 CYS N N 13 113.951 113.951 110.353 3.598 18358
395 1 4 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.014 0.573 18358
396 1 4 . 1 1 13 13 CYS H H 13 8.394 8.394 7.896 0.498 18358
397 1 4 . 1 1 14 14 ALA N N 14 124.346 124.346 122.796 1.550 18358
398 1 4 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.216 -0.189 18358
399 1 4 . 1 1 14 14 ALA H H 14 7.549 7.549 7.964 -0.415 18358
400 1 4 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.533 -0.330 18358
401 1 4 . 1 1 16 16 ALA N N 16 124.554 124.554 119.293 5.261 18358
402 1 4 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.733 -0.658 18358
403 1 4 . 1 1 16 16 ALA H H 16 8.570 8.570 7.276 1.294 18358
404 1 4 . 1 1 17 17 ILE N N 17 119.462 119.462 121.697 -2.235 18358
405 1 4 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.666 -0.250 18358
406 1 4 . 1 1 17 17 ILE H H 17 8.475 8.475 7.785 0.690 18358
407 1 4 . 1 1 18 18 ALA N N 18 121.295 121.295 121.809 -0.514 18358
408 1 4 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.000 0.069 18358
409 1 4 . 1 1 18 18 ALA H H 18 8.288 8.288 7.722 0.566 18358
410 1 4 . 1 1 19 19 GLY N N 19 105.669 105.669 105.450 0.219 18358
411 1 4 . 1 1 19 19 GLY H H 19 8.399 8.399 8.094 0.305 18358
412 1 4 . 1 1 20 20 ALA N N 20 127.175 127.175 124.429 2.746 18358
413 1 4 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.056 0.025 18358
414 1 4 . 1 1 20 20 ALA H H 20 7.972 7.972 7.550 0.422 18358
415 1 4 . 1 1 21 21 VAL N N 21 118.978 118.978 118.980 -0.002 18358
416 1 4 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.898 -0.533 18358
417 1 4 . 1 1 21 21 VAL H H 21 8.435 8.435 8.114 0.321 18358
418 1 4 . 1 1 22 22 ALA N N 22 121.005 121.005 121.666 -0.661 18358
419 1 4 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.088 -0.014 18358
420 1 4 . 1 1 22 22 ALA H H 22 7.835 7.835 7.670 0.165 18358
421 1 4 . 1 1 23 23 ALA N N 23 121.200 121.200 120.158 1.042 18358
422 1 4 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.172 -0.109 18358
423 1 4 . 1 1 23 23 ALA H H 23 8.062 8.062 7.505 0.557 18358
424 1 4 . 1 1 24 24 CYS N N 24 114.529 114.529 114.695 -0.166 18358
425 1 4 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.709 -0.221 18358
426 1 4 . 1 1 24 24 CYS H H 24 8.045 8.045 7.920 0.125 18358
427 1 4 . 1 1 25 25 GLY N N 25 109.695 109.695 108.951 0.744 18358
428 1 4 . 1 1 25 25 GLY H H 25 7.916 7.916 7.906 0.010 18358
429 1 4 . 1 1 26 26 GLY N N 26 107.481 107.481 107.781 -0.300 18358
430 1 4 . 1 1 26 26 GLY H H 26 8.056 8.056 8.161 -0.105 18358
431 1 4 . 1 1 27 27 ILE N N 27 117.952 117.952 116.682 1.270 18358
432 1 4 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.229 -0.484 18358
433 1 4 . 1 1 27 27 ILE H H 27 8.342 8.342 8.208 0.134 18358
434 1 4 . 1 1 28 28 ASP N N 28 128.285 128.285 125.074 3.211 18358
435 1 4 . 1 1 28 28 ASP H H 28 7.060 7.060 8.089 -1.029 18358
436 1 4 . 1 1 29 29 LEU N N 29 124.546 124.546 116.954 7.592 18358
437 1 4 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.714 -0.712 18358
438 1 4 . 1 1 29 29 LEU H H 29 8.907 8.907 8.371 0.536 18358
439 1 4 . 1 1 31 31 CYS N N 31 117.630 117.630 110.816 6.814 18358
440 1 4 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.745 -0.578 18358
441 1 4 . 1 1 31 31 CYS H H 31 7.340 7.340 7.866 -0.526 18358
442 1 4 . 1 1 32 32 VAL N N 32 124.340 124.340 123.511 0.829 18358
443 1 4 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.882 -0.704 18358
444 1 4 . 1 1 32 32 VAL H H 32 8.718 8.718 7.835 0.883 18358
445 1 4 . 1 1 33 33 LEU N N 33 117.743 117.743 118.437 -0.694 18358
446 1 4 . 1 1 33 33 LEU HA H 33 3.692 3.692 4.078 -0.386 18358
447 1 4 . 1 1 33 33 LEU H H 33 8.512 8.512 8.201 0.311 18358
448 1 4 . 1 1 34 34 ALA N N 34 120.707 120.707 122.732 -2.025 18358
449 1 4 . 1 1 34 34 ALA HA H 34 4.067 4.067 3.994 0.073 18358
450 1 4 . 1 1 34 34 ALA H H 34 7.508 7.508 7.618 -0.110 18358
451 1 4 . 1 1 35 35 ALA N N 35 121.539 121.539 119.681 1.858 18358
452 1 4 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.128 0.046 18358
453 1 4 . 1 1 35 35 ALA H H 35 7.765 7.765 7.966 -0.201 18358
454 1 4 . 1 1 36 36 LEU N N 36 116.961 116.961 119.126 -2.165 18358
455 1 4 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.263 -0.056 18358
456 1 4 . 1 1 36 36 LEU H H 36 8.322 8.322 7.989 0.333 18358
457 1 4 . 1 1 37 37 LYS N N 37 121.909 121.909 117.002 4.907 18358
458 1 4 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.282 -0.294 18358
459 1 4 . 1 1 37 37 LYS H H 37 7.335 7.335 7.732 -0.397 18358
460 1 4 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.194 0.596 18358
461 1 4 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.363 -0.378 18358
462 1 4 . 1 1 45 45 CYS N N 45 118.951 118.951 118.722 0.229 18358
463 1 4 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.317 0.024 18358
464 1 4 . 1 1 45 45 CYS H H 45 7.104 7.104 8.324 -1.220 18358
465 1 4 . 1 1 46 46 PHE N N 46 120.196 120.196 117.494 2.702 18358
466 1 4 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.803 -0.204 18358
467 1 4 . 1 1 46 46 PHE H H 46 7.984 7.984 7.536 0.448 18358
468 1 4 . 1 1 47 47 CYS N N 47 115.827 115.827 120.755 -4.928 18358
469 1 4 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.193 0.126 18358
470 1 4 . 1 1 47 47 CYS H H 47 8.773 8.773 7.388 1.385 18358
471 1 4 . 1 1 48 48 GLU N N 48 117.841 117.841 120.658 -2.817 18358
472 1 4 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.013 -0.084 18358
473 1 4 . 1 1 48 48 GLU H H 48 7.775 7.775 7.777 -0.002 18358
474 1 4 . 1 1 49 49 ASP N N 49 116.149 116.149 118.637 -2.488 18358
475 1 4 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.502 -0.012 18358
476 1 4 . 1 1 49 49 ASP H H 49 6.791 6.791 8.508 -1.717 18358
477 1 4 . 1 1 50 50 HIS N N 50 121.887 121.887 114.178 7.709 18358
478 1 4 . 1 1 50 50 HIS HA H 50 4.483 4.483 5.023 -0.540 18358
479 1 4 . 1 1 50 50 HIS H H 50 7.016 7.016 8.125 -1.109 18358
480 1 4 . 1 1 51 51 CYS N N 51 118.443 118.443 121.889 -3.446 18358
481 1 4 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.748 -0.258 18358
482 1 4 . 1 1 51 51 CYS H H 51 8.059 8.059 8.947 -0.888 18358
483 1 4 . 1 1 52 52 HIS N N 52 123.835 123.835 120.168 3.667 18358
484 1 4 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.424 0.157 18358
485 1 4 . 1 1 52 52 HIS H H 52 8.294 8.294 8.131 0.163 18358
486 1 4 . 1 1 54 54 VAL HA H 54 4.013 4.013 4.145 -0.132 18358
487 1 4 . 1 1 55 55 CYS N N 55 116.926 116.926 118.868 -1.942 18358
488 1 4 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.332 -0.103 18358
489 1 4 . 1 1 55 55 CYS H H 55 7.314 7.314 7.883 -0.569 18358
490 1 4 . 1 1 56 56 LYS N N 56 117.865 117.865 119.812 -1.947 18358
491 1 4 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.202 -0.087 18358
492 1 4 . 1 1 56 56 LYS H H 56 6.427 6.427 7.852 -1.425 18358
493 1 4 . 1 1 57 57 ASP N N 57 122.411 122.411 119.273 3.138 18358
494 1 4 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.426 -0.320 18358
495 1 4 . 1 1 57 57 ASP H H 57 8.415 8.415 7.829 0.586 18358
496 1 4 . 1 1 58 58 LEU N N 58 115.608 115.608 117.819 -2.211 18358
497 1 4 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.411 -0.199 18358
498 1 4 . 1 1 58 58 LEU H H 58 7.593 7.593 7.664 -0.071 18358
499 1 4 . 1 1 59 59 HIS N N 59 113.919 113.919 118.485 -4.566 18358
500 1 4 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.708 -0.392 18358
501 1 4 . 1 1 59 59 HIS H H 59 7.866 7.866 8.018 -0.152 18358
502 1 4 . 1 1 60 60 LEU N N 60 116.798 116.798 126.180 -9.382 18358
503 1 4 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.482 -0.191 18358
504 1 4 . 1 1 60 60 LEU H H 60 7.762 7.762 8.111 -0.349 18358
505 1 5 . 1 1 8 8 LEU N N 8 117.542 117.542 121.344 -3.802 18358
506 1 5 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.122 -0.001 18358
507 1 5 . 1 1 8 8 LEU H H 8 7.735 7.735 8.089 -0.354 18358
508 1 5 . 1 1 9 9 LYS N N 9 123.335 123.335 116.696 6.639 18358
509 1 5 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.173 -0.095 18358
510 1 5 . 1 1 9 9 LYS H H 9 7.831 7.831 7.799 0.032 18358
511 1 5 . 1 1 10 10 LYS N N 10 121.522 121.522 118.163 3.359 18358
512 1 5 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.320 -0.663 18358
513 1 5 . 1 1 10 10 LYS H H 10 8.627 8.627 7.515 1.112 18358
514 1 5 . 1 1 11 11 VAL N N 11 117.576 117.576 117.096 0.480 18358
515 1 5 . 1 1 11 11 VAL HA H 11 3.733 3.733 4.184 -0.451 18358
516 1 5 . 1 1 11 11 VAL H H 11 7.491 7.491 7.575 -0.084 18358
517 1 5 . 1 1 12 12 ALA N N 12 123.018 123.018 123.018 0.000 18358
518 1 5 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.429 -0.298 18358
519 1 5 . 1 1 12 12 ALA H H 12 7.898 7.898 8.066 -0.168 18358
520 1 5 . 1 1 13 13 CYS N N 13 113.951 113.951 113.900 0.051 18358
521 1 5 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.461 0.126 18358
522 1 5 . 1 1 13 13 CYS H H 13 8.394 8.394 8.142 0.252 18358
523 1 5 . 1 1 14 14 ALA N N 14 124.346 124.346 122.561 1.785 18358
524 1 5 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.260 -0.233 18358
525 1 5 . 1 1 14 14 ALA H H 14 7.549 7.549 7.852 -0.303 18358
526 1 5 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.325 -0.122 18358
527 1 5 . 1 1 16 16 ALA N N 16 124.554 124.554 121.952 2.602 18358
528 1 5 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.207 -0.132 18358
529 1 5 . 1 1 16 16 ALA H H 16 8.570 8.570 7.767 0.803 18358
530 1 5 . 1 1 17 17 ILE N N 17 119.462 119.462 119.367 0.095 18358
531 1 5 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.778 -0.362 18358
532 1 5 . 1 1 17 17 ILE H H 17 8.475 8.475 7.462 1.013 18358
533 1 5 . 1 1 18 18 ALA N N 18 121.295 121.295 120.926 0.369 18358
534 1 5 . 1 1 18 18 ALA HA H 18 4.069 4.069 3.960 0.109 18358
535 1 5 . 1 1 18 18 ALA H H 18 8.288 8.288 8.498 -0.210 18358
536 1 5 . 1 1 19 19 GLY N N 19 105.669 105.669 104.618 1.051 18358
537 1 5 . 1 1 19 19 GLY H H 19 8.399 8.399 7.630 0.769 18358
538 1 5 . 1 1 20 20 ALA N N 20 127.175 127.175 124.699 2.476 18358
539 1 5 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.259 -0.178 18358
540 1 5 . 1 1 20 20 ALA H H 20 7.972 7.972 7.590 0.382 18358
541 1 5 . 1 1 21 21 VAL N N 21 118.978 118.978 120.001 -1.023 18358
542 1 5 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.770 -0.405 18358
543 1 5 . 1 1 21 21 VAL H H 21 8.435 8.435 7.591 0.844 18358
544 1 5 . 1 1 22 22 ALA N N 22 121.005 121.005 121.024 -0.019 18358
545 1 5 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.072 0.002 18358
546 1 5 . 1 1 22 22 ALA H H 22 7.835 7.835 7.524 0.311 18358
547 1 5 . 1 1 23 23 ALA N N 23 121.200 121.200 120.348 0.852 18358
548 1 5 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.071 -0.008 18358
549 1 5 . 1 1 23 23 ALA H H 23 8.062 8.062 7.730 0.332 18358
550 1 5 . 1 1 24 24 CYS N N 24 114.529 114.529 115.474 -0.945 18358
551 1 5 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.588 -0.100 18358
552 1 5 . 1 1 24 24 CYS H H 24 8.045 8.045 7.980 0.065 18358
553 1 5 . 1 1 25 25 GLY N N 25 109.695 109.695 108.802 0.893 18358
554 1 5 . 1 1 25 25 GLY H H 25 7.916 7.916 8.012 -0.096 18358
555 1 5 . 1 1 26 26 GLY N N 26 107.481 107.481 107.628 -0.147 18358
556 1 5 . 1 1 26 26 GLY H H 26 8.056 8.056 8.037 0.019 18358
557 1 5 . 1 1 27 27 ILE N N 27 117.952 117.952 120.295 -2.343 18358
558 1 5 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.608 -0.863 18358
559 1 5 . 1 1 27 27 ILE H H 27 8.342 8.342 8.335 0.007 18358
560 1 5 . 1 1 28 28 ASP N N 28 128.285 128.285 127.576 0.709 18358
561 1 5 . 1 1 28 28 ASP H H 28 7.060 7.060 8.874 -1.814 18358
562 1 5 . 1 1 29 29 LEU N N 29 124.546 124.546 117.656 6.890 18358
563 1 5 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.719 -0.717 18358
564 1 5 . 1 1 29 29 LEU H H 29 8.907 8.907 8.319 0.588 18358
565 1 5 . 1 1 31 31 CYS N N 31 117.630 117.630 113.004 4.626 18358
566 1 5 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.470 -0.303 18358
567 1 5 . 1 1 31 31 CYS H H 31 7.340 7.340 8.597 -1.257 18358
568 1 5 . 1 1 32 32 VAL N N 32 124.340 124.340 122.041 2.299 18358
569 1 5 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.881 -0.703 18358
570 1 5 . 1 1 32 32 VAL H H 32 8.718 8.718 7.470 1.248 18358
571 1 5 . 1 1 33 33 LEU N N 33 117.743 117.743 121.258 -3.515 18358
572 1 5 . 1 1 33 33 LEU HA H 33 3.692 3.692 4.002 -0.310 18358
573 1 5 . 1 1 33 33 LEU H H 33 8.512 8.512 8.440 0.072 18358
574 1 5 . 1 1 34 34 ALA N N 34 120.707 120.707 121.250 -0.543 18358
575 1 5 . 1 1 34 34 ALA HA H 34 4.067 4.067 3.918 0.149 18358
576 1 5 . 1 1 34 34 ALA H H 34 7.508 7.508 7.609 -0.101 18358
577 1 5 . 1 1 35 35 ALA N N 35 121.539 121.539 118.282 3.257 18358
578 1 5 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.155 0.019 18358
579 1 5 . 1 1 35 35 ALA H H 35 7.765 7.765 7.646 0.119 18358
580 1 5 . 1 1 36 36 LEU N N 36 116.961 116.961 117.242 -0.281 18358
581 1 5 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.478 -0.271 18358
582 1 5 . 1 1 36 36 LEU H H 36 8.322 8.322 7.418 0.904 18358
583 1 5 . 1 1 37 37 LYS N N 37 121.909 121.909 120.625 1.284 18358
584 1 5 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.245 -0.257 18358
585 1 5 . 1 1 37 37 LYS H H 37 7.335 7.335 8.020 -0.685 18358
586 1 5 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.512 0.278 18358
587 1 5 . 1 1 43 43 ALA HA H 43 3.985 3.985 3.915 0.070 18358
588 1 5 . 1 1 45 45 CYS N N 45 118.951 118.951 120.270 -1.319 18358
589 1 5 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.560 -0.219 18358
590 1 5 . 1 1 45 45 CYS H H 45 7.104 7.104 7.602 -0.498 18358
591 1 5 . 1 1 46 46 PHE N N 46 120.196 120.196 122.015 -1.819 18358
592 1 5 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.402 0.197 18358
593 1 5 . 1 1 46 46 PHE H H 46 7.984 7.984 7.737 0.247 18358
594 1 5 . 1 1 47 47 CYS N N 47 115.827 115.827 121.107 -5.280 18358
595 1 5 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.839 -0.520 18358
596 1 5 . 1 1 47 47 CYS H H 47 8.773 8.773 8.344 0.429 18358
597 1 5 . 1 1 48 48 GLU N N 48 117.841 117.841 123.972 -6.131 18358
598 1 5 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.375 -0.446 18358
599 1 5 . 1 1 48 48 GLU H H 48 7.775 7.775 7.754 0.021 18358
600 1 5 . 1 1 49 49 ASP N N 49 116.149 116.149 118.592 -2.443 18358
601 1 5 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.543 -0.053 18358
602 1 5 . 1 1 49 49 ASP H H 49 6.791 6.791 8.614 -1.823 18358
603 1 5 . 1 1 50 50 HIS N N 50 121.887 121.887 117.394 4.493 18358
604 1 5 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.650 -0.167 18358
605 1 5 . 1 1 50 50 HIS H H 50 7.016 7.016 7.876 -0.860 18358
606 1 5 . 1 1 51 51 CYS N N 51 118.443 118.443 125.686 -7.243 18358
607 1 5 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.236 0.254 18358
608 1 5 . 1 1 51 51 CYS H H 51 8.059 8.059 8.589 -0.530 18358
609 1 5 . 1 1 52 52 HIS N N 52 123.835 123.835 118.920 4.915 18358
610 1 5 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.699 -0.118 18358
611 1 5 . 1 1 52 52 HIS H H 52 8.294 8.294 7.941 0.353 18358
612 1 5 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.709 0.304 18358
613 1 5 . 1 1 55 55 CYS N N 55 116.926 116.926 118.480 -1.554 18358
614 1 5 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.184 0.045 18358
615 1 5 . 1 1 55 55 CYS H H 55 7.314 7.314 8.109 -0.795 18358
616 1 5 . 1 1 56 56 LYS N N 56 117.865 117.865 121.607 -3.742 18358
617 1 5 . 1 1 56 56 LYS HA H 56 4.115 4.115 3.964 0.151 18358
618 1 5 . 1 1 56 56 LYS H H 56 6.427 6.427 7.676 -1.249 18358
619 1 5 . 1 1 57 57 ASP N N 57 122.411 122.411 118.671 3.740 18358
620 1 5 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.310 -0.204 18358
621 1 5 . 1 1 57 57 ASP H H 57 8.415 8.415 7.482 0.933 18358
622 1 5 . 1 1 58 58 LEU N N 58 115.608 115.608 118.205 -2.597 18358
623 1 5 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.315 -0.103 18358
624 1 5 . 1 1 58 58 LEU H H 58 7.593 7.593 7.425 0.168 18358
625 1 5 . 1 1 59 59 HIS N N 59 113.919 113.919 116.590 -2.671 18358
626 1 5 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.289 0.027 18358
627 1 5 . 1 1 59 59 HIS H H 59 7.866 7.866 7.545 0.321 18358
628 1 5 . 1 1 60 60 LEU N N 60 116.798 116.798 115.466 1.332 18358
629 1 5 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.835 -0.544 18358
630 1 5 . 1 1 60 60 LEU H H 60 7.762 7.762 8.211 -0.449 18358
631 1 6 . 1 1 8 8 LEU N N 8 117.542 117.542 120.844 -3.302 18358
632 1 6 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.179 -0.058 18358
633 1 6 . 1 1 8 8 LEU H H 8 7.735 7.735 8.299 -0.564 18358
634 1 6 . 1 1 9 9 LYS N N 9 123.335 123.335 115.284 8.051 18358
635 1 6 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.338 -0.260 18358
636 1 6 . 1 1 9 9 LYS H H 9 7.831 7.831 8.257 -0.426 18358
637 1 6 . 1 1 10 10 LYS N N 10 121.522 121.522 118.530 2.992 18358
638 1 6 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.427 -0.770 18358
639 1 6 . 1 1 10 10 LYS H H 10 8.627 8.627 7.428 1.199 18358
640 1 6 . 1 1 11 11 VAL N N 11 117.576 117.576 121.017 -3.441 18358
641 1 6 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.757 -0.024 18358
642 1 6 . 1 1 11 11 VAL H H 11 7.491 7.491 7.365 0.126 18358
643 1 6 . 1 1 12 12 ALA N N 12 123.018 123.018 119.712 3.306 18358
644 1 6 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.359 -0.228 18358
645 1 6 . 1 1 12 12 ALA H H 12 7.898 7.898 7.812 0.086 18358
646 1 6 . 1 1 13 13 CYS N N 13 113.951 113.951 114.683 -0.732 18358
647 1 6 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.176 0.411 18358
648 1 6 . 1 1 13 13 CYS H H 13 8.394 8.394 8.367 0.027 18358
649 1 6 . 1 1 14 14 ALA N N 14 124.346 124.346 123.006 1.340 18358
650 1 6 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.303 -0.276 18358
651 1 6 . 1 1 14 14 ALA H H 14 7.549 7.549 8.121 -0.572 18358
652 1 6 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.619 -0.416 18358
653 1 6 . 1 1 16 16 ALA N N 16 124.554 124.554 121.309 3.245 18358
654 1 6 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.327 -0.252 18358
655 1 6 . 1 1 16 16 ALA H H 16 8.570 8.570 8.050 0.520 18358
656 1 6 . 1 1 17 17 ILE N N 17 119.462 119.462 116.500 2.962 18358
657 1 6 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.982 -0.566 18358
658 1 6 . 1 1 17 17 ILE H H 17 8.475 8.475 7.943 0.532 18358
659 1 6 . 1 1 18 18 ALA N N 18 121.295 121.295 120.340 0.955 18358
660 1 6 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.515 -0.446 18358
661 1 6 . 1 1 18 18 ALA H H 18 8.288 8.288 7.286 1.002 18358
662 1 6 . 1 1 19 19 GLY N N 19 105.669 105.669 107.279 -1.610 18358
663 1 6 . 1 1 19 19 GLY H H 19 8.399 8.399 7.723 0.676 18358
664 1 6 . 1 1 20 20 ALA N N 20 127.175 127.175 124.636 2.539 18358
665 1 6 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.313 -0.232 18358
666 1 6 . 1 1 20 20 ALA H H 20 7.972 7.972 7.912 0.060 18358
667 1 6 . 1 1 21 21 VAL N N 21 118.978 118.978 119.064 -0.086 18358
668 1 6 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.736 -0.371 18358
669 1 6 . 1 1 21 21 VAL H H 21 8.435 8.435 7.664 0.771 18358
670 1 6 . 1 1 22 22 ALA N N 22 121.005 121.005 121.545 -0.540 18358
671 1 6 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.130 -0.056 18358
672 1 6 . 1 1 22 22 ALA H H 22 7.835 7.835 7.641 0.194 18358
673 1 6 . 1 1 23 23 ALA N N 23 121.200 121.200 119.827 1.373 18358
674 1 6 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.092 -0.029 18358
675 1 6 . 1 1 23 23 ALA H H 23 8.062 8.062 7.800 0.262 18358
676 1 6 . 1 1 24 24 CYS N N 24 114.529 114.529 115.893 -1.364 18358
677 1 6 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.594 -0.106 18358
678 1 6 . 1 1 24 24 CYS H H 24 8.045 8.045 7.756 0.289 18358
679 1 6 . 1 1 25 25 GLY N N 25 109.695 109.695 108.772 0.923 18358
680 1 6 . 1 1 25 25 GLY H H 25 7.916 7.916 7.650 0.266 18358
681 1 6 . 1 1 26 26 GLY N N 26 107.481 107.481 107.455 0.026 18358
682 1 6 . 1 1 26 26 GLY H H 26 8.056 8.056 7.776 0.280 18358
683 1 6 . 1 1 27 27 ILE N N 27 117.952 117.952 120.235 -2.283 18358
684 1 6 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.207 -0.462 18358
685 1 6 . 1 1 27 27 ILE H H 27 8.342 8.342 8.277 0.065 18358
686 1 6 . 1 1 28 28 ASP N N 28 128.285 128.285 127.804 0.481 18358
687 1 6 . 1 1 28 28 ASP H H 28 7.060 7.060 8.524 -1.464 18358
688 1 6 . 1 1 29 29 LEU N N 29 124.546 124.546 117.466 7.080 18358
689 1 6 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.397 -0.395 18358
690 1 6 . 1 1 29 29 LEU H H 29 8.907 8.907 8.238 0.669 18358
691 1 6 . 1 1 31 31 CYS N N 31 117.630 117.630 113.477 4.153 18358
692 1 6 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.539 -0.372 18358
693 1 6 . 1 1 31 31 CYS H H 31 7.340 7.340 8.599 -1.259 18358
694 1 6 . 1 1 32 32 VAL N N 32 124.340 124.340 122.853 1.487 18358
695 1 6 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.889 -0.711 18358
696 1 6 . 1 1 32 32 VAL H H 32 8.718 8.718 7.842 0.876 18358
697 1 6 . 1 1 33 33 LEU N N 33 117.743 117.743 121.916 -4.173 18358
698 1 6 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.892 -0.200 18358
699 1 6 . 1 1 33 33 LEU H H 33 8.512 8.512 8.473 0.039 18358
700 1 6 . 1 1 34 34 ALA N N 34 120.707 120.707 123.181 -2.474 18358
701 1 6 . 1 1 34 34 ALA HA H 34 4.067 4.067 3.980 0.087 18358
702 1 6 . 1 1 34 34 ALA H H 34 7.508 7.508 7.650 -0.142 18358
703 1 6 . 1 1 35 35 ALA N N 35 121.539 121.539 116.921 4.618 18358
704 1 6 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.452 -0.278 18358
705 1 6 . 1 1 35 35 ALA H H 35 7.765 7.765 7.669 0.096 18358
706 1 6 . 1 1 36 36 LEU N N 36 116.961 116.961 119.468 -2.507 18358
707 1 6 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.577 -0.370 18358
708 1 6 . 1 1 36 36 LEU H H 36 8.322 8.322 7.768 0.554 18358
709 1 6 . 1 1 37 37 LYS N N 37 121.909 121.909 120.497 1.412 18358
710 1 6 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.156 -0.168 18358
711 1 6 . 1 1 37 37 LYS H H 37 7.335 7.335 7.777 -0.442 18358
712 1 6 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.555 0.235 18358
713 1 6 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.429 -0.444 18358
714 1 6 . 1 1 45 45 CYS N N 45 118.951 118.951 119.447 -0.496 18358
715 1 6 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.710 -0.369 18358
716 1 6 . 1 1 45 45 CYS H H 45 7.104 7.104 7.897 -0.793 18358
717 1 6 . 1 1 46 46 PHE N N 46 120.196 120.196 121.651 -1.455 18358
718 1 6 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.645 -0.046 18358
719 1 6 . 1 1 46 46 PHE H H 46 7.984 7.984 8.575 -0.591 18358
720 1 6 . 1 1 47 47 CYS N N 47 115.827 115.827 119.920 -4.093 18358
721 1 6 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.891 -0.572 18358
722 1 6 . 1 1 47 47 CYS H H 47 8.773 8.773 8.173 0.600 18358
723 1 6 . 1 1 48 48 GLU N N 48 117.841 117.841 123.243 -5.402 18358
724 1 6 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.268 -0.339 18358
725 1 6 . 1 1 48 48 GLU H H 48 7.775 7.775 7.936 -0.161 18358
726 1 6 . 1 1 49 49 ASP N N 49 116.149 116.149 115.313 0.836 18358
727 1 6 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.669 -0.179 18358
728 1 6 . 1 1 49 49 ASP H H 49 6.791 6.791 8.319 -1.528 18358
729 1 6 . 1 1 50 50 HIS N N 50 121.887 121.887 119.667 2.220 18358
730 1 6 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.879 -0.396 18358
731 1 6 . 1 1 50 50 HIS H H 50 7.016 7.016 8.046 -1.030 18358
732 1 6 . 1 1 51 51 CYS N N 51 118.443 118.443 119.917 -1.474 18358
733 1 6 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.618 -0.128 18358
734 1 6 . 1 1 51 51 CYS H H 51 8.059 8.059 8.444 -0.385 18358
735 1 6 . 1 1 52 52 HIS N N 52 123.835 123.835 121.808 2.027 18358
736 1 6 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.255 0.326 18358
737 1 6 . 1 1 52 52 HIS H H 52 8.294 8.294 8.638 -0.344 18358
738 1 6 . 1 1 54 54 VAL HA H 54 4.013 4.013 4.049 -0.036 18358
739 1 6 . 1 1 55 55 CYS N N 55 116.926 116.926 117.711 -0.785 18358
740 1 6 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.302 -0.073 18358
741 1 6 . 1 1 55 55 CYS H H 55 7.314 7.314 8.244 -0.930 18358
742 1 6 . 1 1 56 56 LYS N N 56 117.865 117.865 119.998 -2.133 18358
743 1 6 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.130 -0.015 18358
744 1 6 . 1 1 56 56 LYS H H 56 6.427 6.427 8.106 -1.679 18358
745 1 6 . 1 1 57 57 ASP N N 57 122.411 122.411 119.248 3.163 18358
746 1 6 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.427 -0.321 18358
747 1 6 . 1 1 57 57 ASP H H 57 8.415 8.415 8.016 0.399 18358
748 1 6 . 1 1 58 58 LEU N N 58 115.608 115.608 117.432 -1.824 18358
749 1 6 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.268 -0.056 18358
750 1 6 . 1 1 58 58 LEU H H 58 7.593 7.593 7.532 0.061 18358
751 1 6 . 1 1 59 59 HIS N N 59 113.919 113.919 116.479 -2.560 18358
752 1 6 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.233 0.083 18358
753 1 6 . 1 1 59 59 HIS H H 59 7.866 7.866 7.814 0.052 18358
754 1 6 . 1 1 60 60 LEU N N 60 116.798 116.798 118.437 -1.639 18358
755 1 6 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.551 -0.260 18358
756 1 6 . 1 1 60 60 LEU H H 60 7.762 7.762 7.780 -0.018 18358
757 1 7 . 1 1 8 8 LEU N N 8 117.542 117.542 119.982 -2.440 18358
758 1 7 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.180 -0.059 18358
759 1 7 . 1 1 8 8 LEU H H 8 7.735 7.735 7.760 -0.025 18358
760 1 7 . 1 1 9 9 LYS N N 9 123.335 123.335 115.472 7.863 18358
761 1 7 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.269 -0.191 18358
762 1 7 . 1 1 9 9 LYS H H 9 7.831 7.831 8.315 -0.484 18358
763 1 7 . 1 1 10 10 LYS N N 10 121.522 121.522 120.967 0.555 18358
764 1 7 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.303 -0.646 18358
765 1 7 . 1 1 10 10 LYS H H 10 8.627 8.627 7.378 1.249 18358
766 1 7 . 1 1 11 11 VAL N N 11 117.576 117.576 118.466 -0.890 18358
767 1 7 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.783 -0.050 18358
768 1 7 . 1 1 11 11 VAL H H 11 7.491 7.491 7.716 -0.225 18358
769 1 7 . 1 1 12 12 ALA N N 12 123.018 123.018 118.913 4.105 18358
770 1 7 . 1 1 12 12 ALA HA H 12 4.131 4.131 3.945 0.186 18358
771 1 7 . 1 1 12 12 ALA H H 12 7.898 7.898 7.764 0.134 18358
772 1 7 . 1 1 13 13 CYS N N 13 113.951 113.951 111.093 2.858 18358
773 1 7 . 1 1 13 13 CYS HA H 13 4.587 4.587 3.986 0.601 18358
774 1 7 . 1 1 13 13 CYS H H 13 8.394 8.394 8.709 -0.315 18358
775 1 7 . 1 1 14 14 ALA N N 14 124.346 124.346 126.081 -1.735 18358
776 1 7 . 1 1 14 14 ALA HA H 14 4.027 4.027 3.860 0.167 18358
777 1 7 . 1 1 14 14 ALA H H 14 7.549 7.549 7.934 -0.385 18358
778 1 7 . 1 1 15 15 ALA HA H 15 4.203 4.203 3.939 0.264 18358
779 1 7 . 1 1 16 16 ALA N N 16 124.554 124.554 119.656 4.898 18358
780 1 7 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.166 -0.091 18358
781 1 7 . 1 1 16 16 ALA H H 16 8.570 8.570 7.913 0.657 18358
782 1 7 . 1 1 17 17 ILE N N 17 119.462 119.462 118.852 0.610 18358
783 1 7 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.739 -0.323 18358
784 1 7 . 1 1 17 17 ILE H H 17 8.475 8.475 7.854 0.621 18358
785 1 7 . 1 1 18 18 ALA N N 18 121.295 121.295 121.524 -0.229 18358
786 1 7 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.065 0.004 18358
787 1 7 . 1 1 18 18 ALA H H 18 8.288 8.288 8.655 -0.367 18358
788 1 7 . 1 1 19 19 GLY N N 19 105.669 105.669 103.744 1.925 18358
789 1 7 . 1 1 19 19 GLY H H 19 8.399 8.399 7.793 0.606 18358
790 1 7 . 1 1 20 20 ALA N N 20 127.175 127.175 123.959 3.216 18358
791 1 7 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.376 -0.295 18358
792 1 7 . 1 1 20 20 ALA H H 20 7.972 7.972 7.347 0.625 18358
793 1 7 . 1 1 21 21 VAL N N 21 118.978 118.978 120.116 -1.138 18358
794 1 7 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.773 -0.408 18358
795 1 7 . 1 1 21 21 VAL H H 21 8.435 8.435 7.393 1.042 18358
796 1 7 . 1 1 22 22 ALA N N 22 121.005 121.005 121.468 -0.463 18358
797 1 7 . 1 1 22 22 ALA HA H 22 4.074 4.074 3.997 0.077 18358
798 1 7 . 1 1 22 22 ALA H H 22 7.835 7.835 7.678 0.157 18358
799 1 7 . 1 1 23 23 ALA N N 23 121.200 121.200 119.691 1.509 18358
800 1 7 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.073 -0.010 18358
801 1 7 . 1 1 23 23 ALA H H 23 8.062 8.062 7.780 0.282 18358
802 1 7 . 1 1 24 24 CYS N N 24 114.529 114.529 116.611 -2.082 18358
803 1 7 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.520 -0.032 18358
804 1 7 . 1 1 24 24 CYS H H 24 8.045 8.045 7.800 0.245 18358
805 1 7 . 1 1 25 25 GLY N N 25 109.695 109.695 108.712 0.983 18358
806 1 7 . 1 1 25 25 GLY H H 25 7.916 7.916 7.540 0.376 18358
807 1 7 . 1 1 26 26 GLY N N 26 107.481 107.481 107.443 0.038 18358
808 1 7 . 1 1 26 26 GLY H H 26 8.056 8.056 8.054 0.002 18358
809 1 7 . 1 1 27 27 ILE N N 27 117.952 117.952 119.712 -1.760 18358
810 1 7 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.380 -0.635 18358
811 1 7 . 1 1 27 27 ILE H H 27 8.342 8.342 8.351 -0.009 18358
812 1 7 . 1 1 28 28 ASP N N 28 128.285 128.285 124.132 4.153 18358
813 1 7 . 1 1 28 28 ASP H H 28 7.060 7.060 8.452 -1.392 18358
814 1 7 . 1 1 29 29 LEU N N 29 124.546 124.546 118.084 6.462 18358
815 1 7 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.925 -0.923 18358
816 1 7 . 1 1 29 29 LEU H H 29 8.907 8.907 8.382 0.525 18358
817 1 7 . 1 1 31 31 CYS N N 31 117.630 117.630 116.359 1.271 18358
818 1 7 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.438 -0.271 18358
819 1 7 . 1 1 31 31 CYS H H 31 7.340 7.340 8.172 -0.832 18358
820 1 7 . 1 1 32 32 VAL N N 32 124.340 124.340 120.116 4.224 18358
821 1 7 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.744 -0.566 18358
822 1 7 . 1 1 32 32 VAL H H 32 8.718 8.718 7.581 1.137 18358
823 1 7 . 1 1 33 33 LEU N N 33 117.743 117.743 121.347 -3.604 18358
824 1 7 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.883 -0.191 18358
825 1 7 . 1 1 33 33 LEU H H 33 8.512 8.512 8.797 -0.285 18358
826 1 7 . 1 1 34 34 ALA N N 34 120.707 120.707 121.007 -0.300 18358
827 1 7 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.010 0.057 18358
828 1 7 . 1 1 34 34 ALA H H 34 7.508 7.508 8.163 -0.655 18358
829 1 7 . 1 1 35 35 ALA N N 35 121.539 121.539 120.892 0.647 18358
830 1 7 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.158 0.016 18358
831 1 7 . 1 1 35 35 ALA H H 35 7.765 7.765 7.523 0.242 18358
832 1 7 . 1 1 36 36 LEU N N 36 116.961 116.961 117.817 -0.856 18358
833 1 7 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.389 -0.182 18358
834 1 7 . 1 1 36 36 LEU H H 36 8.322 8.322 7.568 0.754 18358
835 1 7 . 1 1 37 37 LYS N N 37 121.909 121.909 119.436 2.473 18358
836 1 7 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.134 -0.146 18358
837 1 7 . 1 1 37 37 LYS H H 37 7.335 7.335 7.144 0.191 18358
838 1 7 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.822 -0.032 18358
839 1 7 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.463 -0.478 18358
840 1 7 . 1 1 45 45 CYS N N 45 118.951 118.951 119.963 -1.012 18358
841 1 7 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.251 0.090 18358
842 1 7 . 1 1 45 45 CYS H H 45 7.104 7.104 8.125 -1.021 18358
843 1 7 . 1 1 46 46 PHE N N 46 120.196 120.196 122.528 -2.332 18358
844 1 7 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.392 0.207 18358
845 1 7 . 1 1 46 46 PHE H H 46 7.984 7.984 7.716 0.268 18358
846 1 7 . 1 1 47 47 CYS N N 47 115.827 115.827 115.274 0.553 18358
847 1 7 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.624 -0.305 18358
848 1 7 . 1 1 47 47 CYS H H 47 8.773 8.773 8.100 0.673 18358
849 1 7 . 1 1 48 48 GLU N N 48 117.841 117.841 123.906 -6.065 18358
850 1 7 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.036 -0.107 18358
851 1 7 . 1 1 48 48 GLU H H 48 7.775 7.775 7.927 -0.152 18358
852 1 7 . 1 1 49 49 ASP N N 49 116.149 116.149 116.754 -0.605 18358
853 1 7 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.506 -0.016 18358
854 1 7 . 1 1 49 49 ASP H H 49 6.791 6.791 8.311 -1.520 18358
855 1 7 . 1 1 50 50 HIS N N 50 121.887 121.887 118.784 3.103 18358
856 1 7 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.671 -0.188 18358
857 1 7 . 1 1 50 50 HIS H H 50 7.016 7.016 7.436 -0.420 18358
858 1 7 . 1 1 51 51 CYS N N 51 118.443 118.443 122.958 -4.515 18358
859 1 7 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.652 -0.162 18358
860 1 7 . 1 1 51 51 CYS H H 51 8.059 8.059 8.656 -0.597 18358
861 1 7 . 1 1 52 52 HIS N N 52 123.835 123.835 121.298 2.537 18358
862 1 7 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.715 -0.134 18358
863 1 7 . 1 1 52 52 HIS H H 52 8.294 8.294 7.639 0.655 18358
864 1 7 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.800 0.213 18358
865 1 7 . 1 1 55 55 CYS N N 55 116.926 116.926 118.698 -1.772 18358
866 1 7 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.248 -0.019 18358
867 1 7 . 1 1 55 55 CYS H H 55 7.314 7.314 8.647 -1.333 18358
868 1 7 . 1 1 56 56 LYS N N 56 117.865 117.865 118.750 -0.885 18358
869 1 7 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.012 0.103 18358
870 1 7 . 1 1 56 56 LYS H H 56 6.427 6.427 8.053 -1.626 18358
871 1 7 . 1 1 57 57 ASP N N 57 122.411 122.411 120.076 2.335 18358
872 1 7 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.450 -0.344 18358
873 1 7 . 1 1 57 57 ASP H H 57 8.415 8.415 7.671 0.744 18358
874 1 7 . 1 1 58 58 LEU N N 58 115.608 115.608 117.598 -1.990 18358
875 1 7 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.393 -0.181 18358
876 1 7 . 1 1 58 58 LEU H H 58 7.593 7.593 7.417 0.176 18358
877 1 7 . 1 1 59 59 HIS N N 59 113.919 113.919 116.328 -2.409 18358
878 1 7 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.318 -0.002 18358
879 1 7 . 1 1 59 59 HIS H H 59 7.866 7.866 7.788 0.078 18358
880 1 7 . 1 1 60 60 LEU N N 60 116.798 116.798 117.287 -0.489 18358
881 1 7 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.406 -0.115 18358
882 1 7 . 1 1 60 60 LEU H H 60 7.762 7.762 7.966 -0.204 18358
883 1 8 . 1 1 8 8 LEU N N 8 117.542 117.542 119.936 -2.394 18358
884 1 8 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.369 -0.248 18358
885 1 8 . 1 1 8 8 LEU H H 8 7.735 7.735 8.083 -0.348 18358
886 1 8 . 1 1 9 9 LYS N N 9 123.335 123.335 117.922 5.413 18358
887 1 8 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.294 -0.216 18358
888 1 8 . 1 1 9 9 LYS H H 9 7.831 7.831 7.474 0.357 18358
889 1 8 . 1 1 10 10 LYS N N 10 121.522 121.522 120.494 1.028 18358
890 1 8 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.143 -0.486 18358
891 1 8 . 1 1 10 10 LYS H H 10 8.627 8.627 7.466 1.161 18358
892 1 8 . 1 1 11 11 VAL N N 11 117.576 117.576 119.371 -1.795 18358
893 1 8 . 1 1 11 11 VAL HA H 11 3.733 3.733 4.170 -0.437 18358
894 1 8 . 1 1 11 11 VAL H H 11 7.491 7.491 7.566 -0.075 18358
895 1 8 . 1 1 12 12 ALA N N 12 123.018 123.018 122.482 0.536 18358
896 1 8 . 1 1 12 12 ALA HA H 12 4.131 4.131 3.994 0.137 18358
897 1 8 . 1 1 12 12 ALA H H 12 7.898 7.898 7.957 -0.059 18358
898 1 8 . 1 1 13 13 CYS N N 13 113.951 113.951 108.412 5.539 18358
899 1 8 . 1 1 13 13 CYS HA H 13 4.587 4.587 3.984 0.603 18358
900 1 8 . 1 1 13 13 CYS H H 13 8.394 8.394 8.150 0.244 18358
901 1 8 . 1 1 14 14 ALA N N 14 124.346 124.346 124.327 0.019 18358
902 1 8 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.050 -0.023 18358
903 1 8 . 1 1 14 14 ALA H H 14 7.549 7.549 7.699 -0.150 18358
904 1 8 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.238 -0.035 18358
905 1 8 . 1 1 16 16 ALA N N 16 124.554 124.554 120.027 4.527 18358
906 1 8 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.361 -0.286 18358
907 1 8 . 1 1 16 16 ALA H H 16 8.570 8.570 7.291 1.279 18358
908 1 8 . 1 1 17 17 ILE N N 17 119.462 119.462 119.741 -0.279 18358
909 1 8 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.885 -0.469 18358
910 1 8 . 1 1 17 17 ILE H H 17 8.475 8.475 8.453 0.022 18358
911 1 8 . 1 1 18 18 ALA N N 18 121.295 121.295 122.116 -0.821 18358
912 1 8 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.115 -0.046 18358
913 1 8 . 1 1 18 18 ALA H H 18 8.288 8.288 7.721 0.567 18358
914 1 8 . 1 1 19 19 GLY N N 19 105.669 105.669 104.731 0.938 18358
915 1 8 . 1 1 19 19 GLY H H 19 8.399 8.399 7.948 0.451 18358
916 1 8 . 1 1 20 20 ALA N N 20 127.175 127.175 124.193 2.982 18358
917 1 8 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.322 -0.241 18358
918 1 8 . 1 1 20 20 ALA H H 20 7.972 7.972 7.209 0.763 18358
919 1 8 . 1 1 21 21 VAL N N 21 118.978 118.978 120.113 -1.135 18358
920 1 8 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.844 -0.479 18358
921 1 8 . 1 1 21 21 VAL H H 21 8.435 8.435 7.551 0.884 18358
922 1 8 . 1 1 22 22 ALA N N 22 121.005 121.005 121.022 -0.017 18358
923 1 8 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.020 0.054 18358
924 1 8 . 1 1 22 22 ALA H H 22 7.835 7.835 7.516 0.319 18358
925 1 8 . 1 1 23 23 ALA N N 23 121.200 121.200 120.859 0.341 18358
926 1 8 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.076 -0.013 18358
927 1 8 . 1 1 23 23 ALA H H 23 8.062 8.062 7.630 0.432 18358
928 1 8 . 1 1 24 24 CYS N N 24 114.529 114.529 115.850 -1.321 18358
929 1 8 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.407 0.081 18358
930 1 8 . 1 1 24 24 CYS H H 24 8.045 8.045 8.012 0.033 18358
931 1 8 . 1 1 25 25 GLY N N 25 109.695 109.695 108.834 0.861 18358
932 1 8 . 1 1 25 25 GLY H H 25 7.916 7.916 8.259 -0.343 18358
933 1 8 . 1 1 26 26 GLY N N 26 107.481 107.481 107.718 -0.237 18358
934 1 8 . 1 1 26 26 GLY H H 26 8.056 8.056 7.851 0.205 18358
935 1 8 . 1 1 27 27 ILE N N 27 117.952 117.952 119.061 -1.109 18358
936 1 8 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.511 -0.766 18358
937 1 8 . 1 1 27 27 ILE H H 27 8.342 8.342 8.408 -0.066 18358
938 1 8 . 1 1 28 28 ASP N N 28 128.285 128.285 126.098 2.187 18358
939 1 8 . 1 1 28 28 ASP H H 28 7.060 7.060 8.889 -1.829 18358
940 1 8 . 1 1 29 29 LEU N N 29 124.546 124.546 117.235 7.311 18358
941 1 8 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.638 -0.636 18358
942 1 8 . 1 1 29 29 LEU H H 29 8.907 8.907 8.249 0.658 18358
943 1 8 . 1 1 31 31 CYS N N 31 117.630 117.630 115.122 2.508 18358
944 1 8 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.494 -0.327 18358
945 1 8 . 1 1 31 31 CYS H H 31 7.340 7.340 8.387 -1.047 18358
946 1 8 . 1 1 32 32 VAL N N 32 124.340 124.340 120.582 3.758 18358
947 1 8 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.736 -0.558 18358
948 1 8 . 1 1 32 32 VAL H H 32 8.718 8.718 7.868 0.850 18358
949 1 8 . 1 1 33 33 LEU N N 33 117.743 117.743 120.444 -2.701 18358
950 1 8 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.889 -0.197 18358
951 1 8 . 1 1 33 33 LEU H H 33 8.512 8.512 8.599 -0.087 18358
952 1 8 . 1 1 34 34 ALA N N 34 120.707 120.707 121.649 -0.942 18358
953 1 8 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.019 0.048 18358
954 1 8 . 1 1 34 34 ALA H H 34 7.508 7.508 7.411 0.097 18358
955 1 8 . 1 1 35 35 ALA N N 35 121.539 121.539 119.209 2.330 18358
956 1 8 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.206 -0.032 18358
957 1 8 . 1 1 35 35 ALA H H 35 7.765 7.765 7.674 0.091 18358
958 1 8 . 1 1 36 36 LEU N N 36 116.961 116.961 117.637 -0.676 18358
959 1 8 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.267 -0.060 18358
960 1 8 . 1 1 36 36 LEU H H 36 8.322 8.322 7.080 1.242 18358
961 1 8 . 1 1 37 37 LYS N N 37 121.909 121.909 113.548 8.361 18358
962 1 8 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.263 -0.275 18358
963 1 8 . 1 1 37 37 LYS H H 37 7.335 7.335 7.841 -0.506 18358
964 1 8 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.103 0.687 18358
965 1 8 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.328 -0.343 18358
966 1 8 . 1 1 45 45 CYS N N 45 118.951 118.951 119.653 -0.702 18358
967 1 8 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.495 -0.154 18358
968 1 8 . 1 1 45 45 CYS H H 45 7.104 7.104 8.125 -1.021 18358
969 1 8 . 1 1 46 46 PHE N N 46 120.196 120.196 119.007 1.189 18358
970 1 8 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.630 -0.031 18358
971 1 8 . 1 1 46 46 PHE H H 46 7.984 7.984 7.613 0.371 18358
972 1 8 . 1 1 47 47 CYS N N 47 115.827 115.827 119.679 -3.852 18358
973 1 8 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.466 -0.147 18358
974 1 8 . 1 1 47 47 CYS H H 47 8.773 8.773 8.143 0.630 18358
975 1 8 . 1 1 48 48 GLU N N 48 117.841 117.841 120.224 -2.383 18358
976 1 8 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.098 -0.169 18358
977 1 8 . 1 1 48 48 GLU H H 48 7.775 7.775 7.950 -0.175 18358
978 1 8 . 1 1 49 49 ASP N N 49 116.149 116.149 117.231 -1.082 18358
979 1 8 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.446 0.044 18358
980 1 8 . 1 1 49 49 ASP H H 49 6.791 6.791 8.248 -1.457 18358
981 1 8 . 1 1 50 50 HIS N N 50 121.887 121.887 114.103 7.784 18358
982 1 8 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.811 -0.328 18358
983 1 8 . 1 1 50 50 HIS H H 50 7.016 7.016 7.938 -0.922 18358
984 1 8 . 1 1 51 51 CYS N N 51 118.443 118.443 125.654 -7.211 18358
985 1 8 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.774 -0.284 18358
986 1 8 . 1 1 51 51 CYS H H 51 8.059 8.059 9.002 -0.943 18358
987 1 8 . 1 1 52 52 HIS N N 52 123.835 123.835 122.490 1.345 18358
988 1 8 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.663 -0.082 18358
989 1 8 . 1 1 52 52 HIS H H 52 8.294 8.294 8.450 -0.156 18358
990 1 8 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.769 0.244 18358
991 1 8 . 1 1 55 55 CYS N N 55 116.926 116.926 116.318 0.608 18358
992 1 8 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.333 -0.104 18358
993 1 8 . 1 1 55 55 CYS H H 55 7.314 7.314 8.278 -0.964 18358
994 1 8 . 1 1 56 56 LYS N N 56 117.865 117.865 117.530 0.335 18358
995 1 8 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.236 -0.121 18358
996 1 8 . 1 1 56 56 LYS H H 56 6.427 6.427 7.613 -1.186 18358
997 1 8 . 1 1 57 57 ASP N N 57 122.411 122.411 121.937 0.474 18358
998 1 8 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.422 -0.316 18358
999 1 8 . 1 1 57 57 ASP H H 57 8.415 8.415 7.538 0.877 18358
1000 1 8 . 1 1 58 58 LEU N N 58 115.608 115.608 126.005 -10.397 18358
1001 1 8 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.063 0.149 18358
1002 1 8 . 1 1 58 58 LEU H H 58 7.593 7.593 8.651 -1.058 18358
1003 1 8 . 1 1 59 59 HIS N N 59 113.919 113.919 116.863 -2.944 18358
1004 1 8 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.525 -0.209 18358
1005 1 8 . 1 1 59 59 HIS H H 59 7.866 7.866 7.761 0.105 18358
1006 1 8 . 1 1 60 60 LEU N N 60 116.798 116.798 125.190 -8.392 18358
1007 1 8 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.589 -0.298 18358
1008 1 8 . 1 1 60 60 LEU H H 60 7.762 7.762 8.233 -0.471 18358
1009 1 9 . 1 1 8 8 LEU N N 8 117.542 117.542 120.062 -2.520 18358
1010 1 9 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.511 -0.391 18358
1011 1 9 . 1 1 8 8 LEU H H 8 7.735 7.735 7.719 0.016 18358
1012 1 9 . 1 1 9 9 LYS N N 9 123.335 123.335 119.685 3.650 18358
1013 1 9 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.332 -0.254 18358
1014 1 9 . 1 1 9 9 LYS H H 9 7.831 7.831 7.716 0.115 18358
1015 1 9 . 1 1 10 10 LYS N N 10 121.522 121.522 118.692 2.830 18358
1016 1 9 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.088 -0.431 18358
1017 1 9 . 1 1 10 10 LYS H H 10 8.627 8.627 8.265 0.362 18358
1018 1 9 . 1 1 11 11 VAL N N 11 117.576 117.576 119.239 -1.663 18358
1019 1 9 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.970 -0.237 18358
1020 1 9 . 1 1 11 11 VAL H H 11 7.491 7.491 7.647 -0.156 18358
1021 1 9 . 1 1 12 12 ALA N N 12 123.018 123.018 121.074 1.944 18358
1022 1 9 . 1 1 12 12 ALA HA H 12 4.131 4.131 3.920 0.211 18358
1023 1 9 . 1 1 12 12 ALA H H 12 7.898 7.898 7.781 0.117 18358
1024 1 9 . 1 1 13 13 CYS N N 13 113.951 113.951 109.779 4.172 18358
1025 1 9 . 1 1 13 13 CYS HA H 13 4.587 4.587 3.861 0.726 18358
1026 1 9 . 1 1 13 13 CYS H H 13 8.394 8.394 8.384 0.010 18358
1027 1 9 . 1 1 14 14 ALA N N 14 124.346 124.346 122.261 2.085 18358
1028 1 9 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.190 -0.163 18358
1029 1 9 . 1 1 14 14 ALA H H 14 7.549 7.549 7.687 -0.138 18358
1030 1 9 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.226 -0.023 18358
1031 1 9 . 1 1 16 16 ALA N N 16 124.554 124.554 121.591 2.963 18358
1032 1 9 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.546 -0.471 18358
1033 1 9 . 1 1 16 16 ALA H H 16 8.570 8.570 7.525 1.045 18358
1034 1 9 . 1 1 17 17 ILE N N 17 119.462 119.462 119.890 -0.428 18358
1035 1 9 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.593 -0.177 18358
1036 1 9 . 1 1 17 17 ILE H H 17 8.475 8.475 7.546 0.929 18358
1037 1 9 . 1 1 18 18 ALA N N 18 121.295 121.295 118.215 3.080 18358
1038 1 9 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.510 -0.441 18358
1039 1 9 . 1 1 18 18 ALA H H 18 8.288 8.288 7.395 0.893 18358
1040 1 9 . 1 1 19 19 GLY N N 19 105.669 105.669 106.859 -1.190 18358
1041 1 9 . 1 1 19 19 GLY H H 19 8.399 8.399 7.359 1.040 18358
1042 1 9 . 1 1 20 20 ALA N N 20 127.175 127.175 124.178 2.997 18358
1043 1 9 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.664 -0.583 18358
1044 1 9 . 1 1 20 20 ALA H H 20 7.972 7.972 7.876 0.096 18358
1045 1 9 . 1 1 21 21 VAL N N 21 118.978 118.978 120.629 -1.651 18358
1046 1 9 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.816 -0.451 18358
1047 1 9 . 1 1 21 21 VAL H H 21 8.435 8.435 7.932 0.503 18358
1048 1 9 . 1 1 22 22 ALA N N 22 121.005 121.005 121.705 -0.700 18358
1049 1 9 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.066 0.008 18358
1050 1 9 . 1 1 22 22 ALA H H 22 7.835 7.835 8.125 -0.290 18358
1051 1 9 . 1 1 23 23 ALA N N 23 121.200 121.200 119.545 1.655 18358
1052 1 9 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.120 -0.057 18358
1053 1 9 . 1 1 23 23 ALA H H 23 8.062 8.062 7.990 0.072 18358
1054 1 9 . 1 1 24 24 CYS N N 24 114.529 114.529 116.435 -1.906 18358
1055 1 9 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.575 -0.087 18358
1056 1 9 . 1 1 24 24 CYS H H 24 8.045 8.045 7.846 0.199 18358
1057 1 9 . 1 1 25 25 GLY N N 25 109.695 109.695 110.159 -0.464 18358
1058 1 9 . 1 1 25 25 GLY H H 25 7.916 7.916 7.255 0.661 18358
1059 1 9 . 1 1 26 26 GLY N N 26 107.481 107.481 107.579 -0.098 18358
1060 1 9 . 1 1 26 26 GLY H H 26 8.056 8.056 8.013 0.043 18358
1061 1 9 . 1 1 27 27 ILE N N 27 117.952 117.952 121.156 -3.204 18358
1062 1 9 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.444 -0.699 18358
1063 1 9 . 1 1 27 27 ILE H H 27 8.342 8.342 8.458 -0.116 18358
1064 1 9 . 1 1 28 28 ASP N N 28 128.285 128.285 125.905 2.380 18358
1065 1 9 . 1 1 28 28 ASP H H 28 7.060 7.060 8.733 -1.673 18358
1066 1 9 . 1 1 29 29 LEU N N 29 124.546 124.546 118.116 6.430 18358
1067 1 9 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.459 -0.457 18358
1068 1 9 . 1 1 29 29 LEU H H 29 8.907 8.907 8.067 0.840 18358
1069 1 9 . 1 1 31 31 CYS N N 31 117.630 117.630 116.014 1.616 18358
1070 1 9 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.600 -0.433 18358
1071 1 9 . 1 1 31 31 CYS H H 31 7.340 7.340 8.143 -0.803 18358
1072 1 9 . 1 1 32 32 VAL N N 32 124.340 124.340 122.067 2.273 18358
1073 1 9 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.900 -0.722 18358
1074 1 9 . 1 1 32 32 VAL H H 32 8.718 8.718 8.138 0.580 18358
1075 1 9 . 1 1 33 33 LEU N N 33 117.743 117.743 122.329 -4.586 18358
1076 1 9 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.981 -0.289 18358
1077 1 9 . 1 1 33 33 LEU H H 33 8.512 8.512 7.966 0.546 18358
1078 1 9 . 1 1 34 34 ALA N N 34 120.707 120.707 121.793 -1.086 18358
1079 1 9 . 1 1 34 34 ALA HA H 34 4.067 4.067 3.965 0.102 18358
1080 1 9 . 1 1 34 34 ALA H H 34 7.508 7.508 7.564 -0.056 18358
1081 1 9 . 1 1 35 35 ALA N N 35 121.539 121.539 117.672 3.867 18358
1082 1 9 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.629 -0.455 18358
1083 1 9 . 1 1 35 35 ALA H H 35 7.765 7.765 7.622 0.143 18358
1084 1 9 . 1 1 36 36 LEU N N 36 116.961 116.961 119.594 -2.633 18358
1085 1 9 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.542 -0.335 18358
1086 1 9 . 1 1 36 36 LEU H H 36 8.322 8.322 8.075 0.247 18358
1087 1 9 . 1 1 37 37 LYS N N 37 121.909 121.909 120.448 1.461 18358
1088 1 9 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.008 -0.020 18358
1089 1 9 . 1 1 37 37 LYS H H 37 7.335 7.335 8.549 -1.214 18358
1090 1 9 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.304 0.486 18358
1091 1 9 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.460 -0.475 18358
1092 1 9 . 1 1 45 45 CYS N N 45 118.951 118.951 120.662 -1.711 18358
1093 1 9 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.547 -0.206 18358
1094 1 9 . 1 1 45 45 CYS H H 45 7.104 7.104 7.822 -0.718 18358
1095 1 9 . 1 1 46 46 PHE N N 46 120.196 120.196 118.758 1.438 18358
1096 1 9 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.621 -0.022 18358
1097 1 9 . 1 1 46 46 PHE H H 46 7.984 7.984 8.027 -0.043 18358
1098 1 9 . 1 1 47 47 CYS N N 47 115.827 115.827 116.796 -0.969 18358
1099 1 9 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.460 -0.141 18358
1100 1 9 . 1 1 47 47 CYS H H 47 8.773 8.773 8.867 -0.094 18358
1101 1 9 . 1 1 48 48 GLU N N 48 117.841 117.841 120.435 -2.594 18358
1102 1 9 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.026 -0.097 18358
1103 1 9 . 1 1 48 48 GLU H H 48 7.775 7.775 8.082 -0.307 18358
1104 1 9 . 1 1 49 49 ASP N N 49 116.149 116.149 117.961 -1.812 18358
1105 1 9 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.407 0.083 18358
1106 1 9 . 1 1 49 49 ASP H H 49 6.791 6.791 8.287 -1.496 18358
1107 1 9 . 1 1 50 50 HIS N N 50 121.887 121.887 114.427 7.460 18358
1108 1 9 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.691 -0.208 18358
1109 1 9 . 1 1 50 50 HIS H H 50 7.016 7.016 7.254 -0.238 18358
1110 1 9 . 1 1 51 51 CYS N N 51 118.443 118.443 123.216 -4.773 18358
1111 1 9 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.695 -0.205 18358
1112 1 9 . 1 1 51 51 CYS H H 51 8.059 8.059 7.788 0.271 18358
1113 1 9 . 1 1 52 52 HIS N N 52 123.835 123.835 121.871 1.964 18358
1114 1 9 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.591 -0.010 18358
1115 1 9 . 1 1 52 52 HIS H H 52 8.294 8.294 7.950 0.344 18358
1116 1 9 . 1 1 54 54 VAL HA H 54 4.013 4.013 4.052 -0.039 18358
1117 1 9 . 1 1 55 55 CYS N N 55 116.926 116.926 116.033 0.893 18358
1118 1 9 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.235 -0.006 18358
1119 1 9 . 1 1 55 55 CYS H H 55 7.314 7.314 8.050 -0.736 18358
1120 1 9 . 1 1 56 56 LYS N N 56 117.865 117.865 120.579 -2.714 18358
1121 1 9 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.020 0.095 18358
1122 1 9 . 1 1 56 56 LYS H H 56 6.427 6.427 7.719 -1.292 18358
1123 1 9 . 1 1 57 57 ASP N N 57 122.411 122.411 119.153 3.258 18358
1124 1 9 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.477 -0.371 18358
1125 1 9 . 1 1 57 57 ASP H H 57 8.415 8.415 8.045 0.370 18358
1126 1 9 . 1 1 58 58 LEU N N 58 115.608 115.608 117.839 -2.231 18358
1127 1 9 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.357 -0.145 18358
1128 1 9 . 1 1 58 58 LEU H H 58 7.593 7.593 7.466 0.127 18358
1129 1 9 . 1 1 59 59 HIS N N 59 113.919 113.919 117.736 -3.817 18358
1130 1 9 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.402 -0.086 18358
1131 1 9 . 1 1 59 59 HIS H H 59 7.866 7.866 7.637 0.229 18358
1132 1 9 . 1 1 60 60 LEU N N 60 116.798 116.798 123.347 -6.549 18358
1133 1 9 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.704 -0.413 18358
1134 1 9 . 1 1 60 60 LEU H H 60 7.762 7.762 8.416 -0.654 18358
1135 1 10 . 1 1 8 8 LEU N N 8 117.542 117.542 118.885 -1.343 18358
1136 1 10 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.339 -0.218 18358
1137 1 10 . 1 1 8 8 LEU H H 8 7.735 7.735 7.906 -0.171 18358
1138 1 10 . 1 1 9 9 LYS N N 9 123.335 123.335 119.959 3.376 18358
1139 1 10 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.278 -0.200 18358
1140 1 10 . 1 1 9 9 LYS H H 9 7.831 7.831 8.435 -0.604 18358
1141 1 10 . 1 1 10 10 LYS N N 10 121.522 121.522 119.915 1.607 18358
1142 1 10 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.369 -0.712 18358
1143 1 10 . 1 1 10 10 LYS H H 10 8.627 8.627 7.831 0.796 18358
1144 1 10 . 1 1 11 11 VAL N N 11 117.576 117.576 117.825 -0.249 18358
1145 1 10 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.667 0.066 18358
1146 1 10 . 1 1 11 11 VAL H H 11 7.491 7.491 8.276 -0.785 18358
1147 1 10 . 1 1 12 12 ALA N N 12 123.018 123.018 119.648 3.370 18358
1148 1 10 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.038 0.093 18358
1149 1 10 . 1 1 12 12 ALA H H 12 7.898 7.898 8.284 -0.386 18358
1150 1 10 . 1 1 13 13 CYS N N 13 113.951 113.951 110.251 3.700 18358
1151 1 10 . 1 1 13 13 CYS HA H 13 4.587 4.587 3.963 0.624 18358
1152 1 10 . 1 1 13 13 CYS H H 13 8.394 8.394 8.062 0.332 18358
1153 1 10 . 1 1 14 14 ALA N N 14 124.346 124.346 121.205 3.141 18358
1154 1 10 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.485 -0.458 18358
1155 1 10 . 1 1 14 14 ALA H H 14 7.549 7.549 7.964 -0.415 18358
1156 1 10 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.363 -0.160 18358
1157 1 10 . 1 1 16 16 ALA N N 16 124.554 124.554 119.300 5.254 18358
1158 1 10 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.340 -0.265 18358
1159 1 10 . 1 1 16 16 ALA H H 16 8.570 8.570 8.394 0.176 18358
1160 1 10 . 1 1 17 17 ILE N N 17 119.462 119.462 117.430 2.032 18358
1161 1 10 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.923 -0.507 18358
1162 1 10 . 1 1 17 17 ILE H H 17 8.475 8.475 7.519 0.956 18358
1163 1 10 . 1 1 18 18 ALA N N 18 121.295 121.295 122.148 -0.853 18358
1164 1 10 . 1 1 18 18 ALA HA H 18 4.069 4.069 3.968 0.101 18358
1165 1 10 . 1 1 18 18 ALA H H 18 8.288 8.288 7.680 0.608 18358
1166 1 10 . 1 1 19 19 GLY N N 19 105.669 105.669 105.361 0.308 18358
1167 1 10 . 1 1 19 19 GLY H H 19 8.399 8.399 7.856 0.543 18358
1168 1 10 . 1 1 20 20 ALA N N 20 127.175 127.175 123.828 3.347 18358
1169 1 10 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.287 -0.206 18358
1170 1 10 . 1 1 20 20 ALA H H 20 7.972 7.972 7.845 0.127 18358
1171 1 10 . 1 1 21 21 VAL N N 21 118.978 118.978 118.945 0.033 18358
1172 1 10 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.648 -0.283 18358
1173 1 10 . 1 1 21 21 VAL H H 21 8.435 8.435 8.326 0.109 18358
1174 1 10 . 1 1 22 22 ALA N N 22 121.005 121.005 120.895 0.110 18358
1175 1 10 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.105 -0.031 18358
1176 1 10 . 1 1 22 22 ALA H H 22 7.835 7.835 7.526 0.309 18358
1177 1 10 . 1 1 23 23 ALA N N 23 121.200 121.200 119.360 1.840 18358
1178 1 10 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.118 -0.055 18358
1179 1 10 . 1 1 23 23 ALA H H 23 8.062 8.062 7.784 0.278 18358
1180 1 10 . 1 1 24 24 CYS N N 24 114.529 114.529 116.725 -2.196 18358
1181 1 10 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.457 0.031 18358
1182 1 10 . 1 1 24 24 CYS H H 24 8.045 8.045 7.557 0.488 18358
1183 1 10 . 1 1 25 25 GLY N N 25 109.695 109.695 107.592 2.103 18358
1184 1 10 . 1 1 25 25 GLY H H 25 7.916 7.916 7.615 0.301 18358
1185 1 10 . 1 1 26 26 GLY N N 26 107.481 107.481 109.012 -1.531 18358
1186 1 10 . 1 1 26 26 GLY H H 26 8.056 8.056 7.742 0.314 18358
1187 1 10 . 1 1 27 27 ILE N N 27 117.952 117.952 122.809 -4.857 18358
1188 1 10 . 1 1 27 27 ILE HA H 27 3.745 3.745 3.774 -0.029 18358
1189 1 10 . 1 1 27 27 ILE H H 27 8.342 8.342 8.381 -0.039 18358
1190 1 10 . 1 1 28 28 ASP N N 28 128.285 128.285 127.128 1.157 18358
1191 1 10 . 1 1 28 28 ASP H H 28 7.060 7.060 8.099 -1.039 18358
1192 1 10 . 1 1 29 29 LEU N N 29 124.546 124.546 124.437 0.109 18358
1193 1 10 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.698 -0.696 18358
1194 1 10 . 1 1 29 29 LEU H H 29 8.907 8.907 8.405 0.502 18358
1195 1 10 . 1 1 31 31 CYS N N 31 117.630 117.630 115.566 2.064 18358
1196 1 10 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.486 -0.319 18358
1197 1 10 . 1 1 31 31 CYS H H 31 7.340 7.340 8.632 -1.292 18358
1198 1 10 . 1 1 32 32 VAL N N 32 124.340 124.340 120.407 3.933 18358
1199 1 10 . 1 1 32 32 VAL HA H 32 3.178 3.178 4.016 -0.838 18358
1200 1 10 . 1 1 32 32 VAL H H 32 8.718 8.718 7.943 0.775 18358
1201 1 10 . 1 1 33 33 LEU N N 33 117.743 117.743 121.886 -4.143 18358
1202 1 10 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.902 -0.210 18358
1203 1 10 . 1 1 33 33 LEU H H 33 8.512 8.512 8.050 0.462 18358
1204 1 10 . 1 1 34 34 ALA N N 34 120.707 120.707 120.460 0.247 18358
1205 1 10 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.036 0.031 18358
1206 1 10 . 1 1 34 34 ALA H H 34 7.508 7.508 8.083 -0.575 18358
1207 1 10 . 1 1 35 35 ALA N N 35 121.539 121.539 117.731 3.808 18358
1208 1 10 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.385 -0.211 18358
1209 1 10 . 1 1 35 35 ALA H H 35 7.765 7.765 7.432 0.333 18358
1210 1 10 . 1 1 36 36 LEU N N 36 116.961 116.961 118.676 -1.715 18358
1211 1 10 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.478 -0.271 18358
1212 1 10 . 1 1 36 36 LEU H H 36 8.322 8.322 7.531 0.791 18358
1213 1 10 . 1 1 37 37 LYS N N 37 121.909 121.909 119.673 2.236 18358
1214 1 10 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.181 -0.193 18358
1215 1 10 . 1 1 37 37 LYS H H 37 7.335 7.335 7.750 -0.415 18358
1216 1 10 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.870 -0.080 18358
1217 1 10 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.247 -0.262 18358
1218 1 10 . 1 1 45 45 CYS N N 45 118.951 118.951 117.761 1.190 18358
1219 1 10 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.730 -0.389 18358
1220 1 10 . 1 1 45 45 CYS H H 45 7.104 7.104 7.295 -0.191 18358
1221 1 10 . 1 1 46 46 PHE N N 46 120.196 120.196 120.733 -0.537 18358
1222 1 10 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.720 -0.121 18358
1223 1 10 . 1 1 46 46 PHE H H 46 7.984 7.984 7.796 0.188 18358
1224 1 10 . 1 1 47 47 CYS N N 47 115.827 115.827 120.738 -4.911 18358
1225 1 10 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.717 -0.398 18358
1226 1 10 . 1 1 47 47 CYS H H 47 8.773 8.773 8.074 0.699 18358
1227 1 10 . 1 1 48 48 GLU N N 48 117.841 117.841 120.877 -3.036 18358
1228 1 10 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.060 -0.131 18358
1229 1 10 . 1 1 48 48 GLU H H 48 7.775 7.775 7.958 -0.183 18358
1230 1 10 . 1 1 49 49 ASP N N 49 116.149 116.149 116.669 -0.520 18358
1231 1 10 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.615 -0.125 18358
1232 1 10 . 1 1 49 49 ASP H H 49 6.791 6.791 8.521 -1.730 18358
1233 1 10 . 1 1 50 50 HIS N N 50 121.887 121.887 119.637 2.250 18358
1234 1 10 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.746 -0.263 18358
1235 1 10 . 1 1 50 50 HIS H H 50 7.016 7.016 7.999 -0.983 18358
1236 1 10 . 1 1 51 51 CYS N N 51 118.443 118.443 120.730 -2.287 18358
1237 1 10 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.789 -0.299 18358
1238 1 10 . 1 1 51 51 CYS H H 51 8.059 8.059 7.993 0.066 18358
1239 1 10 . 1 1 52 52 HIS N N 52 123.835 123.835 118.867 4.968 18358
1240 1 10 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.737 -0.156 18358
1241 1 10 . 1 1 52 52 HIS H H 52 8.294 8.294 8.161 0.133 18358
1242 1 10 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.371 0.642 18358
1243 1 10 . 1 1 55 55 CYS N N 55 116.926 116.926 119.605 -2.679 18358
1244 1 10 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.180 0.049 18358
1245 1 10 . 1 1 55 55 CYS H H 55 7.314 7.314 8.038 -0.724 18358
1246 1 10 . 1 1 56 56 LYS N N 56 117.865 117.865 118.213 -0.348 18358
1247 1 10 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.276 -0.161 18358
1248 1 10 . 1 1 56 56 LYS H H 56 6.427 6.427 7.573 -1.146 18358
1249 1 10 . 1 1 57 57 ASP N N 57 122.411 122.411 120.595 1.816 18358
1250 1 10 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.260 -0.154 18358
1251 1 10 . 1 1 57 57 ASP H H 57 8.415 8.415 7.443 0.972 18358
1252 1 10 . 1 1 58 58 LEU N N 58 115.608 115.608 117.903 -2.295 18358
1253 1 10 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.340 -0.128 18358
1254 1 10 . 1 1 58 58 LEU H H 58 7.593 7.593 7.148 0.445 18358
1255 1 10 . 1 1 59 59 HIS N N 59 113.919 113.919 114.651 -0.732 18358
1256 1 10 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.415 -0.099 18358
1257 1 10 . 1 1 59 59 HIS H H 59 7.866 7.866 7.553 0.313 18358
1258 1 10 . 1 1 60 60 LEU N N 60 116.798 116.798 118.444 -1.646 18358
1259 1 10 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.530 -0.239 18358
1260 1 10 . 1 1 60 60 LEU H H 60 7.762 7.762 8.136 -0.374 18358
1261 1 11 . 1 1 8 8 LEU N N 8 117.542 117.542 114.634 2.908 18358
1262 1 11 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.515 -0.394 18358
1263 1 11 . 1 1 8 8 LEU H H 8 7.735 7.735 7.155 0.580 18358
1264 1 11 . 1 1 9 9 LYS N N 9 123.335 123.335 120.172 3.163 18358
1265 1 11 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.297 -0.219 18358
1266 1 11 . 1 1 9 9 LYS H H 9 7.831 7.831 7.668 0.163 18358
1267 1 11 . 1 1 10 10 LYS N N 10 121.522 121.522 117.990 3.532 18358
1268 1 11 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.182 -0.525 18358
1269 1 11 . 1 1 10 10 LYS H H 10 8.627 8.627 7.913 0.714 18358
1270 1 11 . 1 1 11 11 VAL N N 11 117.576 117.576 119.604 -2.028 18358
1271 1 11 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.758 -0.025 18358
1272 1 11 . 1 1 11 11 VAL H H 11 7.491 7.491 7.507 -0.016 18358
1273 1 11 . 1 1 12 12 ALA N N 12 123.018 123.018 120.491 2.527 18358
1274 1 11 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.317 -0.186 18358
1275 1 11 . 1 1 12 12 ALA H H 12 7.898 7.898 7.721 0.177 18358
1276 1 11 . 1 1 13 13 CYS N N 13 113.951 113.951 113.458 0.493 18358
1277 1 11 . 1 1 13 13 CYS HA H 13 4.587 4.587 5.071 -0.484 18358
1278 1 11 . 1 1 13 13 CYS H H 13 8.394 8.394 7.471 0.923 18358
1279 1 11 . 1 1 14 14 ALA N N 14 124.346 124.346 123.803 0.543 18358
1280 1 11 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.011 0.016 18358
1281 1 11 . 1 1 14 14 ALA H H 14 7.549 7.549 7.872 -0.323 18358
1282 1 11 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.275 -0.072 18358
1283 1 11 . 1 1 16 16 ALA N N 16 124.554 124.554 120.325 4.229 18358
1284 1 11 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.434 -0.359 18358
1285 1 11 . 1 1 16 16 ALA H H 16 8.570 8.570 7.198 1.372 18358
1286 1 11 . 1 1 17 17 ILE N N 17 119.462 119.462 120.050 -0.588 18358
1287 1 11 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.874 -0.458 18358
1288 1 11 . 1 1 17 17 ILE H H 17 8.475 8.475 8.373 0.102 18358
1289 1 11 . 1 1 18 18 ALA N N 18 121.295 121.295 121.624 -0.329 18358
1290 1 11 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.038 0.031 18358
1291 1 11 . 1 1 18 18 ALA H H 18 8.288 8.288 7.653 0.635 18358
1292 1 11 . 1 1 19 19 GLY N N 19 105.669 105.669 104.565 1.104 18358
1293 1 11 . 1 1 19 19 GLY H H 19 8.399 8.399 7.587 0.812 18358
1294 1 11 . 1 1 20 20 ALA N N 20 127.175 127.175 123.677 3.498 18358
1295 1 11 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.395 -0.314 18358
1296 1 11 . 1 1 20 20 ALA H H 20 7.972 7.972 7.536 0.436 18358
1297 1 11 . 1 1 21 21 VAL N N 21 118.978 118.978 119.884 -0.906 18358
1298 1 11 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.728 -0.363 18358
1299 1 11 . 1 1 21 21 VAL H H 21 8.435 8.435 7.343 1.092 18358
1300 1 11 . 1 1 22 22 ALA N N 22 121.005 121.005 120.599 0.406 18358
1301 1 11 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.156 -0.082 18358
1302 1 11 . 1 1 22 22 ALA H H 22 7.835 7.835 7.908 -0.073 18358
1303 1 11 . 1 1 23 23 ALA N N 23 121.200 121.200 119.443 1.757 18358
1304 1 11 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.232 -0.169 18358
1305 1 11 . 1 1 23 23 ALA H H 23 8.062 8.062 7.908 0.154 18358
1306 1 11 . 1 1 24 24 CYS N N 24 114.529 114.529 117.035 -2.506 18358
1307 1 11 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.587 -0.099 18358
1308 1 11 . 1 1 24 24 CYS H H 24 8.045 8.045 8.000 0.045 18358
1309 1 11 . 1 1 25 25 GLY N N 25 109.695 109.695 109.986 -0.291 18358
1310 1 11 . 1 1 25 25 GLY H H 25 7.916 7.916 7.979 -0.063 18358
1311 1 11 . 1 1 26 26 GLY N N 26 107.481 107.481 107.377 0.104 18358
1312 1 11 . 1 1 26 26 GLY H H 26 8.056 8.056 7.877 0.179 18358
1313 1 11 . 1 1 27 27 ILE N N 27 117.952 117.952 119.436 -1.484 18358
1314 1 11 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.643 -0.898 18358
1315 1 11 . 1 1 27 27 ILE H H 27 8.342 8.342 8.287 0.055 18358
1316 1 11 . 1 1 28 28 ASP N N 28 128.285 128.285 128.441 -0.156 18358
1317 1 11 . 1 1 28 28 ASP H H 28 7.060 7.060 8.891 -1.831 18358
1318 1 11 . 1 1 29 29 LEU N N 29 124.546 124.546 116.476 8.070 18358
1319 1 11 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.564 -0.562 18358
1320 1 11 . 1 1 29 29 LEU H H 29 8.907 8.907 8.297 0.610 18358
1321 1 11 . 1 1 31 31 CYS N N 31 117.630 117.630 113.839 3.791 18358
1322 1 11 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.450 -0.283 18358
1323 1 11 . 1 1 31 31 CYS H H 31 7.340 7.340 8.724 -1.384 18358
1324 1 11 . 1 1 32 32 VAL N N 32 124.340 124.340 122.046 2.294 18358
1325 1 11 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.910 -0.732 18358
1326 1 11 . 1 1 32 32 VAL H H 32 8.718 8.718 7.708 1.010 18358
1327 1 11 . 1 1 33 33 LEU N N 33 117.743 117.743 122.032 -4.289 18358
1328 1 11 . 1 1 33 33 LEU HA H 33 3.692 3.692 4.138 -0.446 18358
1329 1 11 . 1 1 33 33 LEU H H 33 8.512 8.512 7.973 0.539 18358
1330 1 11 . 1 1 34 34 ALA N N 34 120.707 120.707 122.322 -1.615 18358
1331 1 11 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.113 -0.046 18358
1332 1 11 . 1 1 34 34 ALA H H 34 7.508 7.508 7.569 -0.061 18358
1333 1 11 . 1 1 35 35 ALA N N 35 121.539 121.539 119.247 2.292 18358
1334 1 11 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.697 -0.523 18358
1335 1 11 . 1 1 35 35 ALA H H 35 7.765 7.765 7.552 0.213 18358
1336 1 11 . 1 1 36 36 LEU N N 36 116.961 116.961 119.709 -2.748 18358
1337 1 11 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.622 -0.415 18358
1338 1 11 . 1 1 36 36 LEU H H 36 8.322 8.322 7.824 0.498 18358
1339 1 11 . 1 1 37 37 LYS N N 37 121.909 121.909 121.295 0.614 18358
1340 1 11 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.267 -0.279 18358
1341 1 11 . 1 1 37 37 LYS H H 37 7.335 7.335 8.213 -0.878 18358
1342 1 11 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.139 0.651 18358
1343 1 11 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.131 -0.146 18358
1344 1 11 . 1 1 45 45 CYS N N 45 118.951 118.951 120.144 -1.193 18358
1345 1 11 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.561 -0.220 18358
1346 1 11 . 1 1 45 45 CYS H H 45 7.104 7.104 7.650 -0.546 18358
1347 1 11 . 1 1 46 46 PHE N N 46 120.196 120.196 121.361 -1.165 18358
1348 1 11 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.515 0.084 18358
1349 1 11 . 1 1 46 46 PHE H H 46 7.984 7.984 7.659 0.325 18358
1350 1 11 . 1 1 47 47 CYS N N 47 115.827 115.827 117.144 -1.317 18358
1351 1 11 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.539 -0.220 18358
1352 1 11 . 1 1 47 47 CYS H H 47 8.773 8.773 7.909 0.864 18358
1353 1 11 . 1 1 48 48 GLU N N 48 117.841 117.841 122.534 -4.693 18358
1354 1 11 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.082 -0.153 18358
1355 1 11 . 1 1 48 48 GLU H H 48 7.775 7.775 8.108 -0.333 18358
1356 1 11 . 1 1 49 49 ASP N N 49 116.149 116.149 116.176 -0.027 18358
1357 1 11 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.484 0.006 18358
1358 1 11 . 1 1 49 49 ASP H H 49 6.791 6.791 8.530 -1.739 18358
1359 1 11 . 1 1 50 50 HIS N N 50 121.887 121.887 118.378 3.509 18358
1360 1 11 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.650 -0.167 18358
1361 1 11 . 1 1 50 50 HIS H H 50 7.016 7.016 7.593 -0.577 18358
1362 1 11 . 1 1 51 51 CYS N N 51 118.443 118.443 124.086 -5.643 18358
1363 1 11 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.738 -0.248 18358
1364 1 11 . 1 1 51 51 CYS H H 51 8.059 8.059 8.706 -0.647 18358
1365 1 11 . 1 1 52 52 HIS N N 52 123.835 123.835 120.867 2.968 18358
1366 1 11 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.784 -0.203 18358
1367 1 11 . 1 1 52 52 HIS H H 52 8.294 8.294 8.408 -0.114 18358
1368 1 11 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.457 0.556 18358
1369 1 11 . 1 1 55 55 CYS N N 55 116.926 116.926 120.794 -3.868 18358
1370 1 11 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.140 0.089 18358
1371 1 11 . 1 1 55 55 CYS H H 55 7.314 7.314 8.285 -0.971 18358
1372 1 11 . 1 1 56 56 LYS N N 56 117.865 117.865 119.045 -1.180 18358
1373 1 11 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.109 0.006 18358
1374 1 11 . 1 1 56 56 LYS H H 56 6.427 6.427 7.561 -1.134 18358
1375 1 11 . 1 1 57 57 ASP N N 57 122.411 122.411 120.685 1.726 18358
1376 1 11 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.464 -0.358 18358
1377 1 11 . 1 1 57 57 ASP H H 57 8.415 8.415 7.460 0.955 18358
1378 1 11 . 1 1 58 58 LEU N N 58 115.608 115.608 116.412 -0.804 18358
1379 1 11 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.297 -0.085 18358
1380 1 11 . 1 1 58 58 LEU H H 58 7.593 7.593 7.422 0.171 18358
1381 1 11 . 1 1 59 59 HIS N N 59 113.919 113.919 115.573 -1.654 18358
1382 1 11 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.246 0.070 18358
1383 1 11 . 1 1 59 59 HIS H H 59 7.866 7.866 7.723 0.143 18358
1384 1 11 . 1 1 60 60 LEU N N 60 116.798 116.798 116.018 0.780 18358
1385 1 11 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.645 -0.354 18358
1386 1 11 . 1 1 60 60 LEU H H 60 7.762 7.762 7.859 -0.097 18358
1387 1 12 . 1 1 8 8 LEU N N 8 117.542 117.542 116.528 1.014 18358
1388 1 12 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.578 -0.457 18358
1389 1 12 . 1 1 8 8 LEU H H 8 7.735 7.735 7.390 0.345 18358
1390 1 12 . 1 1 9 9 LYS N N 9 123.335 123.335 120.108 3.227 18358
1391 1 12 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.332 -0.254 18358
1392 1 12 . 1 1 9 9 LYS H H 9 7.831 7.831 8.195 -0.364 18358
1393 1 12 . 1 1 10 10 LYS N N 10 121.522 121.522 119.799 1.723 18358
1394 1 12 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.196 -0.539 18358
1395 1 12 . 1 1 10 10 LYS H H 10 8.627 8.627 7.845 0.782 18358
1396 1 12 . 1 1 11 11 VAL N N 11 117.576 117.576 119.265 -1.689 18358
1397 1 12 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.971 -0.238 18358
1398 1 12 . 1 1 11 11 VAL H H 11 7.491 7.491 7.756 -0.265 18358
1399 1 12 . 1 1 12 12 ALA N N 12 123.018 123.018 121.097 1.921 18358
1400 1 12 . 1 1 12 12 ALA HA H 12 4.131 4.131 3.971 0.160 18358
1401 1 12 . 1 1 12 12 ALA H H 12 7.898 7.898 8.064 -0.166 18358
1402 1 12 . 1 1 13 13 CYS N N 13 113.951 113.951 110.491 3.460 18358
1403 1 12 . 1 1 13 13 CYS HA H 13 4.587 4.587 3.992 0.595 18358
1404 1 12 . 1 1 13 13 CYS H H 13 8.394 8.394 8.757 -0.363 18358
1405 1 12 . 1 1 14 14 ALA N N 14 124.346 124.346 124.371 -0.025 18358
1406 1 12 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.095 -0.068 18358
1407 1 12 . 1 1 14 14 ALA H H 14 7.549 7.549 7.683 -0.134 18358
1408 1 12 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.260 -0.057 18358
1409 1 12 . 1 1 16 16 ALA N N 16 124.554 124.554 120.855 3.699 18358
1410 1 12 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.316 -0.241 18358
1411 1 12 . 1 1 16 16 ALA H H 16 8.570 8.570 7.910 0.660 18358
1412 1 12 . 1 1 17 17 ILE N N 17 119.462 119.462 121.058 -1.596 18358
1413 1 12 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.853 -0.437 18358
1414 1 12 . 1 1 17 17 ILE H H 17 8.475 8.475 8.081 0.394 18358
1415 1 12 . 1 1 18 18 ALA N N 18 121.295 121.295 121.342 -0.047 18358
1416 1 12 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.163 -0.094 18358
1417 1 12 . 1 1 18 18 ALA H H 18 8.288 8.288 7.658 0.630 18358
1418 1 12 . 1 1 19 19 GLY N N 19 105.669 105.669 105.525 0.144 18358
1419 1 12 . 1 1 19 19 GLY H H 19 8.399 8.399 7.760 0.639 18358
1420 1 12 . 1 1 20 20 ALA N N 20 127.175 127.175 124.542 2.633 18358
1421 1 12 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.167 -0.086 18358
1422 1 12 . 1 1 20 20 ALA H H 20 7.972 7.972 7.536 0.436 18358
1423 1 12 . 1 1 21 21 VAL N N 21 118.978 118.978 118.755 0.223 18358
1424 1 12 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.663 -0.298 18358
1425 1 12 . 1 1 21 21 VAL H H 21 8.435 8.435 7.589 0.846 18358
1426 1 12 . 1 1 22 22 ALA N N 22 121.005 121.005 120.201 0.804 18358
1427 1 12 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.131 -0.057 18358
1428 1 12 . 1 1 22 22 ALA H H 22 7.835 7.835 7.660 0.175 18358
1429 1 12 . 1 1 23 23 ALA N N 23 121.200 121.200 121.124 0.076 18358
1430 1 12 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.183 -0.120 18358
1431 1 12 . 1 1 23 23 ALA H H 23 8.062 8.062 7.591 0.471 18358
1432 1 12 . 1 1 24 24 CYS N N 24 114.529 114.529 115.619 -1.090 18358
1433 1 12 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.666 -0.178 18358
1434 1 12 . 1 1 24 24 CYS H H 24 8.045 8.045 8.041 0.004 18358
1435 1 12 . 1 1 25 25 GLY N N 25 109.695 109.695 109.818 -0.123 18358
1436 1 12 . 1 1 25 25 GLY H H 25 7.916 7.916 8.324 -0.408 18358
1437 1 12 . 1 1 26 26 GLY N N 26 107.481 107.481 108.943 -1.462 18358
1438 1 12 . 1 1 26 26 GLY H H 26 8.056 8.056 7.652 0.404 18358
1439 1 12 . 1 1 27 27 ILE N N 27 117.952 117.952 121.179 -3.227 18358
1440 1 12 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.344 -0.599 18358
1441 1 12 . 1 1 27 27 ILE H H 27 8.342 8.342 8.420 -0.078 18358
1442 1 12 . 1 1 28 28 ASP N N 28 128.285 128.285 126.679 1.606 18358
1443 1 12 . 1 1 28 28 ASP H H 28 7.060 7.060 8.614 -1.554 18358
1444 1 12 . 1 1 29 29 LEU N N 29 124.546 124.546 118.173 6.373 18358
1445 1 12 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.499 -0.497 18358
1446 1 12 . 1 1 29 29 LEU H H 29 8.907 8.907 7.996 0.911 18358
1447 1 12 . 1 1 31 31 CYS N N 31 117.630 117.630 113.533 4.097 18358
1448 1 12 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.438 -0.271 18358
1449 1 12 . 1 1 31 31 CYS H H 31 7.340 7.340 8.543 -1.203 18358
1450 1 12 . 1 1 32 32 VAL N N 32 124.340 124.340 122.343 1.997 18358
1451 1 12 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.821 -0.643 18358
1452 1 12 . 1 1 32 32 VAL H H 32 8.718 8.718 7.442 1.276 18358
1453 1 12 . 1 1 33 33 LEU N N 33 117.743 117.743 121.625 -3.882 18358
1454 1 12 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.886 -0.194 18358
1455 1 12 . 1 1 33 33 LEU H H 33 8.512 8.512 8.244 0.268 18358
1456 1 12 . 1 1 34 34 ALA N N 34 120.707 120.707 121.655 -0.948 18358
1457 1 12 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.061 0.006 18358
1458 1 12 . 1 1 34 34 ALA H H 34 7.508 7.508 7.696 -0.188 18358
1459 1 12 . 1 1 35 35 ALA N N 35 121.539 121.539 117.379 4.160 18358
1460 1 12 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.353 -0.179 18358
1461 1 12 . 1 1 35 35 ALA H H 35 7.765 7.765 7.795 -0.030 18358
1462 1 12 . 1 1 36 36 LEU N N 36 116.961 116.961 119.063 -2.102 18358
1463 1 12 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.560 -0.353 18358
1464 1 12 . 1 1 36 36 LEU H H 36 8.322 8.322 7.569 0.753 18358
1465 1 12 . 1 1 37 37 LYS N N 37 121.909 121.909 117.552 4.357 18358
1466 1 12 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.625 -0.637 18358
1467 1 12 . 1 1 37 37 LYS H H 37 7.335 7.335 7.754 -0.419 18358
1468 1 12 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.677 0.113 18358
1469 1 12 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.515 -0.530 18358
1470 1 12 . 1 1 45 45 CYS N N 45 118.951 118.951 115.191 3.760 18358
1471 1 12 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.683 -0.342 18358
1472 1 12 . 1 1 45 45 CYS H H 45 7.104 7.104 7.654 -0.550 18358
1473 1 12 . 1 1 46 46 PHE N N 46 120.196 120.196 121.680 -1.484 18358
1474 1 12 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.647 -0.048 18358
1475 1 12 . 1 1 46 46 PHE H H 46 7.984 7.984 7.770 0.214 18358
1476 1 12 . 1 1 47 47 CYS N N 47 115.827 115.827 118.025 -2.198 18358
1477 1 12 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.740 -0.421 18358
1478 1 12 . 1 1 47 47 CYS H H 47 8.773 8.773 7.753 1.020 18358
1479 1 12 . 1 1 48 48 GLU N N 48 117.841 117.841 120.411 -2.570 18358
1480 1 12 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.088 -0.159 18358
1481 1 12 . 1 1 48 48 GLU H H 48 7.775 7.775 8.052 -0.277 18358
1482 1 12 . 1 1 49 49 ASP N N 49 116.149 116.149 117.000 -0.851 18358
1483 1 12 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.545 -0.055 18358
1484 1 12 . 1 1 49 49 ASP H H 49 6.791 6.791 8.544 -1.753 18358
1485 1 12 . 1 1 50 50 HIS N N 50 121.887 121.887 119.745 2.142 18358
1486 1 12 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.976 -0.493 18358
1487 1 12 . 1 1 50 50 HIS H H 50 7.016 7.016 7.894 -0.878 18358
1488 1 12 . 1 1 51 51 CYS N N 51 118.443 118.443 119.618 -1.175 18358
1489 1 12 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.744 -0.254 18358
1490 1 12 . 1 1 51 51 CYS H H 51 8.059 8.059 7.916 0.143 18358
1491 1 12 . 1 1 52 52 HIS N N 52 123.835 123.835 116.905 6.930 18358
1492 1 12 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.741 -0.160 18358
1493 1 12 . 1 1 52 52 HIS H H 52 8.294 8.294 8.279 0.015 18358
1494 1 12 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.914 0.099 18358
1495 1 12 . 1 1 55 55 CYS N N 55 116.926 116.926 116.352 0.574 18358
1496 1 12 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.205 0.024 18358
1497 1 12 . 1 1 55 55 CYS H H 55 7.314 7.314 8.382 -1.068 18358
1498 1 12 . 1 1 56 56 LYS N N 56 117.865 117.865 120.952 -3.087 18358
1499 1 12 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.191 -0.076 18358
1500 1 12 . 1 1 56 56 LYS H H 56 6.427 6.427 7.692 -1.265 18358
1501 1 12 . 1 1 57 57 ASP N N 57 122.411 122.411 119.623 2.788 18358
1502 1 12 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.381 -0.275 18358
1503 1 12 . 1 1 57 57 ASP H H 57 8.415 8.415 7.593 0.822 18358
1504 1 12 . 1 1 58 58 LEU N N 58 115.608 115.608 117.665 -2.057 18358
1505 1 12 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.309 -0.097 18358
1506 1 12 . 1 1 58 58 LEU H H 58 7.593 7.593 7.694 -0.101 18358
1507 1 12 . 1 1 59 59 HIS N N 59 113.919 113.919 116.978 -3.059 18358
1508 1 12 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.333 -0.017 18358
1509 1 12 . 1 1 59 59 HIS H H 59 7.866 7.866 7.824 0.042 18358
1510 1 12 . 1 1 60 60 LEU N N 60 116.798 116.798 114.894 1.904 18358
1511 1 12 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.732 -0.441 18358
1512 1 12 . 1 1 60 60 LEU H H 60 7.762 7.762 7.833 -0.071 18358
1513 1 13 . 1 1 8 8 LEU N N 8 117.542 117.542 120.134 -2.592 18358
1514 1 13 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.137 -0.016 18358
1515 1 13 . 1 1 8 8 LEU H H 8 7.735 7.735 7.866 -0.131 18358
1516 1 13 . 1 1 9 9 LYS N N 9 123.335 123.335 118.164 5.171 18358
1517 1 13 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.142 -0.064 18358
1518 1 13 . 1 1 9 9 LYS H H 9 7.831 7.831 8.367 -0.536 18358
1519 1 13 . 1 1 10 10 LYS N N 10 121.522 121.522 120.220 1.302 18358
1520 1 13 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.430 -0.773 18358
1521 1 13 . 1 1 10 10 LYS H H 10 8.627 8.627 7.401 1.226 18358
1522 1 13 . 1 1 11 11 VAL N N 11 117.576 117.576 118.001 -0.425 18358
1523 1 13 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.601 0.132 18358
1524 1 13 . 1 1 11 11 VAL H H 11 7.491 7.491 8.186 -0.695 18358
1525 1 13 . 1 1 12 12 ALA N N 12 123.018 123.018 119.610 3.408 18358
1526 1 13 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.053 0.078 18358
1527 1 13 . 1 1 12 12 ALA H H 12 7.898 7.898 7.946 -0.048 18358
1528 1 13 . 1 1 13 13 CYS N N 13 113.951 113.951 111.078 2.873 18358
1529 1 13 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.112 0.475 18358
1530 1 13 . 1 1 13 13 CYS H H 13 8.394 8.394 7.987 0.407 18358
1531 1 13 . 1 1 14 14 ALA N N 14 124.346 124.346 121.629 2.717 18358
1532 1 13 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.378 -0.351 18358
1533 1 13 . 1 1 14 14 ALA H H 14 7.549 7.549 7.738 -0.189 18358
1534 1 13 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.255 -0.052 18358
1535 1 13 . 1 1 16 16 ALA N N 16 124.554 124.554 121.160 3.394 18358
1536 1 13 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.115 -0.040 18358
1537 1 13 . 1 1 16 16 ALA H H 16 8.570 8.570 8.424 0.146 18358
1538 1 13 . 1 1 17 17 ILE N N 17 119.462 119.462 117.389 2.073 18358
1539 1 13 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.690 -0.274 18358
1540 1 13 . 1 1 17 17 ILE H H 17 8.475 8.475 8.016 0.459 18358
1541 1 13 . 1 1 18 18 ALA N N 18 121.295 121.295 119.902 1.393 18358
1542 1 13 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.194 -0.125 18358
1543 1 13 . 1 1 18 18 ALA H H 18 8.288 8.288 8.002 0.286 18358
1544 1 13 . 1 1 19 19 GLY N N 19 105.669 105.669 105.924 -0.255 18358
1545 1 13 . 1 1 19 19 GLY H H 19 8.399 8.399 7.704 0.695 18358
1546 1 13 . 1 1 20 20 ALA N N 20 127.175 127.175 123.707 3.468 18358
1547 1 13 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.146 -0.065 18358
1548 1 13 . 1 1 20 20 ALA H H 20 7.972 7.972 7.637 0.335 18358
1549 1 13 . 1 1 21 21 VAL N N 21 118.978 118.978 119.121 -0.143 18358
1550 1 13 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.676 -0.311 18358
1551 1 13 . 1 1 21 21 VAL H H 21 8.435 8.435 7.786 0.649 18358
1552 1 13 . 1 1 22 22 ALA N N 22 121.005 121.005 121.258 -0.253 18358
1553 1 13 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.122 -0.048 18358
1554 1 13 . 1 1 22 22 ALA H H 22 7.835 7.835 7.606 0.229 18358
1555 1 13 . 1 1 23 23 ALA N N 23 121.200 121.200 120.505 0.695 18358
1556 1 13 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.118 -0.055 18358
1557 1 13 . 1 1 23 23 ALA H H 23 8.062 8.062 7.809 0.253 18358
1558 1 13 . 1 1 24 24 CYS N N 24 114.529 114.529 115.670 -1.141 18358
1559 1 13 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.479 0.009 18358
1560 1 13 . 1 1 24 24 CYS H H 24 8.045 8.045 7.949 0.096 18358
1561 1 13 . 1 1 25 25 GLY N N 25 109.695 109.695 108.980 0.715 18358
1562 1 13 . 1 1 25 25 GLY H H 25 7.916 7.916 7.733 0.183 18358
1563 1 13 . 1 1 26 26 GLY N N 26 107.481 107.481 109.268 -1.787 18358
1564 1 13 . 1 1 26 26 GLY H H 26 8.056 8.056 8.147 -0.091 18358
1565 1 13 . 1 1 27 27 ILE N N 27 117.952 117.952 120.356 -2.404 18358
1566 1 13 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.498 -0.753 18358
1567 1 13 . 1 1 27 27 ILE H H 27 8.342 8.342 8.406 -0.064 18358
1568 1 13 . 1 1 28 28 ASP N N 28 128.285 128.285 126.918 1.367 18358
1569 1 13 . 1 1 28 28 ASP H H 28 7.060 7.060 8.489 -1.429 18358
1570 1 13 . 1 1 29 29 LEU N N 29 124.546 124.546 117.817 6.729 18358
1571 1 13 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.530 -0.528 18358
1572 1 13 . 1 1 29 29 LEU H H 29 8.907 8.907 7.898 1.009 18358
1573 1 13 . 1 1 31 31 CYS N N 31 117.630 117.630 116.341 1.289 18358
1574 1 13 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.707 -0.540 18358
1575 1 13 . 1 1 31 31 CYS H H 31 7.340 7.340 7.697 -0.357 18358
1576 1 13 . 1 1 32 32 VAL N N 32 124.340 124.340 122.018 2.322 18358
1577 1 13 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.966 -0.788 18358
1578 1 13 . 1 1 32 32 VAL H H 32 8.718 8.718 7.985 0.733 18358
1579 1 13 . 1 1 33 33 LEU N N 33 117.743 117.743 116.616 1.127 18358
1580 1 13 . 1 1 33 33 LEU HA H 33 3.692 3.692 4.329 -0.637 18358
1581 1 13 . 1 1 33 33 LEU H H 33 8.512 8.512 7.638 0.874 18358
1582 1 13 . 1 1 34 34 ALA N N 34 120.707 120.707 124.071 -3.364 18358
1583 1 13 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.037 0.030 18358
1584 1 13 . 1 1 34 34 ALA H H 34 7.508 7.508 7.710 -0.202 18358
1585 1 13 . 1 1 35 35 ALA N N 35 121.539 121.539 117.886 3.653 18358
1586 1 13 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.342 -0.168 18358
1587 1 13 . 1 1 35 35 ALA H H 35 7.765 7.765 8.324 -0.559 18358
1588 1 13 . 1 1 36 36 LEU N N 36 116.961 116.961 118.000 -1.039 18358
1589 1 13 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.603 -0.396 18358
1590 1 13 . 1 1 36 36 LEU H H 36 8.322 8.322 7.414 0.908 18358
1591 1 13 . 1 1 37 37 LYS N N 37 121.909 121.909 120.839 1.070 18358
1592 1 13 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.362 -0.374 18358
1593 1 13 . 1 1 37 37 LYS H H 37 7.335 7.335 7.323 0.012 18358
1594 1 13 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.073 0.717 18358
1595 1 13 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.291 -0.306 18358
1596 1 13 . 1 1 45 45 CYS N N 45 118.951 118.951 115.965 2.986 18358
1597 1 13 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.453 -0.112 18358
1598 1 13 . 1 1 45 45 CYS H H 45 7.104 7.104 8.334 -1.230 18358
1599 1 13 . 1 1 46 46 PHE N N 46 120.196 120.196 123.411 -3.215 18358
1600 1 13 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.535 0.064 18358
1601 1 13 . 1 1 46 46 PHE H H 46 7.984 7.984 7.855 0.129 18358
1602 1 13 . 1 1 47 47 CYS N N 47 115.827 115.827 118.132 -2.305 18358
1603 1 13 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.513 -0.194 18358
1604 1 13 . 1 1 47 47 CYS H H 47 8.773 8.773 8.020 0.753 18358
1605 1 13 . 1 1 48 48 GLU N N 48 117.841 117.841 122.161 -4.320 18358
1606 1 13 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.195 -0.266 18358
1607 1 13 . 1 1 48 48 GLU H H 48 7.775 7.775 8.002 -0.227 18358
1608 1 13 . 1 1 49 49 ASP N N 49 116.149 116.149 116.689 -0.540 18358
1609 1 13 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.526 -0.036 18358
1610 1 13 . 1 1 49 49 ASP H H 49 6.791 6.791 8.371 -1.580 18358
1611 1 13 . 1 1 50 50 HIS N N 50 121.887 121.887 119.146 2.741 18358
1612 1 13 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.750 -0.267 18358
1613 1 13 . 1 1 50 50 HIS H H 50 7.016 7.016 7.715 -0.699 18358
1614 1 13 . 1 1 51 51 CYS N N 51 118.443 118.443 121.740 -3.297 18358
1615 1 13 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.827 -0.337 18358
1616 1 13 . 1 1 51 51 CYS H H 51 8.059 8.059 8.354 -0.295 18358
1617 1 13 . 1 1 52 52 HIS N N 52 123.835 123.835 121.806 2.029 18358
1618 1 13 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.682 -0.101 18358
1619 1 13 . 1 1 52 52 HIS H H 52 8.294 8.294 8.480 -0.186 18358
1620 1 13 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.489 0.524 18358
1621 1 13 . 1 1 55 55 CYS N N 55 116.926 116.926 121.607 -4.681 18358
1622 1 13 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.179 0.050 18358
1623 1 13 . 1 1 55 55 CYS H H 55 7.314 7.314 8.233 -0.919 18358
1624 1 13 . 1 1 56 56 LYS N N 56 117.865 117.865 119.374 -1.509 18358
1625 1 13 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.190 -0.075 18358
1626 1 13 . 1 1 56 56 LYS H H 56 6.427 6.427 7.651 -1.224 18358
1627 1 13 . 1 1 57 57 ASP N N 57 122.411 122.411 119.907 2.504 18358
1628 1 13 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.301 -0.195 18358
1629 1 13 . 1 1 57 57 ASP H H 57 8.415 8.415 7.556 0.859 18358
1630 1 13 . 1 1 58 58 LEU N N 58 115.608 115.608 116.621 -1.013 18358
1631 1 13 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.332 -0.120 18358
1632 1 13 . 1 1 58 58 LEU H H 58 7.593 7.593 7.252 0.341 18358
1633 1 13 . 1 1 59 59 HIS N N 59 113.919 113.919 115.425 -1.506 18358
1634 1 13 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.335 -0.019 18358
1635 1 13 . 1 1 59 59 HIS H H 59 7.866 7.866 7.471 0.395 18358
1636 1 13 . 1 1 60 60 LEU N N 60 116.798 116.798 119.773 -2.975 18358
1637 1 13 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.616 -0.325 18358
1638 1 13 . 1 1 60 60 LEU H H 60 7.762 7.762 8.251 -0.489 18358
1639 1 14 . 1 1 8 8 LEU N N 8 117.542 117.542 119.461 -1.919 18358
1640 1 14 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.610 -0.489 18358
1641 1 14 . 1 1 8 8 LEU H H 8 7.735 7.735 7.718 0.017 18358
1642 1 14 . 1 1 9 9 LYS N N 9 123.335 123.335 118.725 4.610 18358
1643 1 14 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.369 -0.291 18358
1644 1 14 . 1 1 9 9 LYS H H 9 7.831 7.831 8.330 -0.499 18358
1645 1 14 . 1 1 10 10 LYS N N 10 121.522 121.522 116.642 4.880 18358
1646 1 14 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.233 -0.576 18358
1647 1 14 . 1 1 10 10 LYS H H 10 8.627 8.627 7.811 0.816 18358
1648 1 14 . 1 1 11 11 VAL N N 11 117.576 117.576 118.348 -0.772 18358
1649 1 14 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.999 -0.266 18358
1650 1 14 . 1 1 11 11 VAL H H 11 7.491 7.491 7.797 -0.306 18358
1651 1 14 . 1 1 12 12 ALA N N 12 123.018 123.018 120.205 2.813 18358
1652 1 14 . 1 1 12 12 ALA HA H 12 4.131 4.131 3.885 0.246 18358
1653 1 14 . 1 1 12 12 ALA H H 12 7.898 7.898 8.061 -0.163 18358
1654 1 14 . 1 1 13 13 CYS N N 13 113.951 113.951 109.325 4.626 18358
1655 1 14 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.373 0.214 18358
1656 1 14 . 1 1 13 13 CYS H H 13 8.394 8.394 7.792 0.602 18358
1657 1 14 . 1 1 14 14 ALA N N 14 124.346 124.346 125.834 -1.488 18358
1658 1 14 . 1 1 14 14 ALA HA H 14 4.027 4.027 3.973 0.054 18358
1659 1 14 . 1 1 14 14 ALA H H 14 7.549 7.549 7.869 -0.320 18358
1660 1 14 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.479 -0.276 18358
1661 1 14 . 1 1 16 16 ALA N N 16 124.554 124.554 120.419 4.135 18358
1662 1 14 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.343 -0.268 18358
1663 1 14 . 1 1 16 16 ALA H H 16 8.570 8.570 7.667 0.903 18358
1664 1 14 . 1 1 17 17 ILE N N 17 119.462 119.462 121.541 -2.079 18358
1665 1 14 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.596 -0.180 18358
1666 1 14 . 1 1 17 17 ILE H H 17 8.475 8.475 8.183 0.292 18358
1667 1 14 . 1 1 18 18 ALA N N 18 121.295 121.295 121.633 -0.338 18358
1668 1 14 . 1 1 18 18 ALA HA H 18 4.069 4.069 3.988 0.081 18358
1669 1 14 . 1 1 18 18 ALA H H 18 8.288 8.288 7.479 0.809 18358
1670 1 14 . 1 1 19 19 GLY N N 19 105.669 105.669 104.776 0.893 18358
1671 1 14 . 1 1 19 19 GLY H H 19 8.399 8.399 8.326 0.073 18358
1672 1 14 . 1 1 20 20 ALA N N 20 127.175 127.175 124.499 2.676 18358
1673 1 14 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.211 -0.130 18358
1674 1 14 . 1 1 20 20 ALA H H 20 7.972 7.972 7.641 0.331 18358
1675 1 14 . 1 1 21 21 VAL N N 21 118.978 118.978 119.726 -0.748 18358
1676 1 14 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.788 -0.423 18358
1677 1 14 . 1 1 21 21 VAL H H 21 8.435 8.435 7.618 0.817 18358
1678 1 14 . 1 1 22 22 ALA N N 22 121.005 121.005 120.420 0.585 18358
1679 1 14 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.160 -0.086 18358
1680 1 14 . 1 1 22 22 ALA H H 22 7.835 7.835 7.750 0.085 18358
1681 1 14 . 1 1 23 23 ALA N N 23 121.200 121.200 121.175 0.025 18358
1682 1 14 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.191 -0.128 18358
1683 1 14 . 1 1 23 23 ALA H H 23 8.062 8.062 7.615 0.447 18358
1684 1 14 . 1 1 24 24 CYS N N 24 114.529 114.529 116.344 -1.815 18358
1685 1 14 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.452 0.036 18358
1686 1 14 . 1 1 24 24 CYS H H 24 8.045 8.045 8.300 -0.255 18358
1687 1 14 . 1 1 25 25 GLY N N 25 109.695 109.695 108.325 1.370 18358
1688 1 14 . 1 1 25 25 GLY H H 25 7.916 7.916 8.193 -0.277 18358
1689 1 14 . 1 1 26 26 GLY N N 26 107.481 107.481 107.809 -0.328 18358
1690 1 14 . 1 1 26 26 GLY H H 26 8.056 8.056 8.046 0.010 18358
1691 1 14 . 1 1 27 27 ILE N N 27 117.952 117.952 121.131 -3.179 18358
1692 1 14 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.374 -0.629 18358
1693 1 14 . 1 1 27 27 ILE H H 27 8.342 8.342 8.421 -0.079 18358
1694 1 14 . 1 1 28 28 ASP N N 28 128.285 128.285 127.262 1.023 18358
1695 1 14 . 1 1 28 28 ASP H H 28 7.060 7.060 8.724 -1.664 18358
1696 1 14 . 1 1 29 29 LEU N N 29 124.546 124.546 117.233 7.313 18358
1697 1 14 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.540 -0.538 18358
1698 1 14 . 1 1 29 29 LEU H H 29 8.907 8.907 8.324 0.583 18358
1699 1 14 . 1 1 31 31 CYS N N 31 117.630 117.630 112.456 5.174 18358
1700 1 14 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.528 -0.361 18358
1701 1 14 . 1 1 31 31 CYS H H 31 7.340 7.340 8.517 -1.177 18358
1702 1 14 . 1 1 32 32 VAL N N 32 124.340 124.340 121.786 2.554 18358
1703 1 14 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.813 -0.635 18358
1704 1 14 . 1 1 32 32 VAL H H 32 8.718 8.718 7.428 1.290 18358
1705 1 14 . 1 1 33 33 LEU N N 33 117.743 117.743 119.522 -1.779 18358
1706 1 14 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.974 -0.282 18358
1707 1 14 . 1 1 33 33 LEU H H 33 8.512 8.512 8.540 -0.028 18358
1708 1 14 . 1 1 34 34 ALA N N 34 120.707 120.707 120.153 0.554 18358
1709 1 14 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.117 -0.050 18358
1710 1 14 . 1 1 34 34 ALA H H 34 7.508 7.508 7.390 0.118 18358
1711 1 14 . 1 1 35 35 ALA N N 35 121.539 121.539 120.426 1.113 18358
1712 1 14 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.358 -0.184 18358
1713 1 14 . 1 1 35 35 ALA H H 35 7.765 7.765 7.572 0.193 18358
1714 1 14 . 1 1 36 36 LEU N N 36 116.961 116.961 119.082 -2.121 18358
1715 1 14 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.237 -0.030 18358
1716 1 14 . 1 1 36 36 LEU H H 36 8.322 8.322 7.727 0.595 18358
1717 1 14 . 1 1 37 37 LYS N N 37 121.909 121.909 119.194 2.715 18358
1718 1 14 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.287 -0.299 18358
1719 1 14 . 1 1 37 37 LYS H H 37 7.335 7.335 7.420 -0.085 18358
1720 1 14 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.074 0.716 18358
1721 1 14 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.357 -0.372 18358
1722 1 14 . 1 1 45 45 CYS N N 45 118.951 118.951 118.538 0.413 18358
1723 1 14 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.697 -0.356 18358
1724 1 14 . 1 1 45 45 CYS H H 45 7.104 7.104 7.702 -0.598 18358
1725 1 14 . 1 1 46 46 PHE N N 46 120.196 120.196 121.525 -1.329 18358
1726 1 14 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.451 0.148 18358
1727 1 14 . 1 1 46 46 PHE H H 46 7.984 7.984 7.671 0.313 18358
1728 1 14 . 1 1 47 47 CYS N N 47 115.827 115.827 117.103 -1.276 18358
1729 1 14 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.584 -0.265 18358
1730 1 14 . 1 1 47 47 CYS H H 47 8.773 8.773 8.203 0.570 18358
1731 1 14 . 1 1 48 48 GLU N N 48 117.841 117.841 120.752 -2.911 18358
1732 1 14 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.131 -0.202 18358
1733 1 14 . 1 1 48 48 GLU H H 48 7.775 7.775 7.733 0.042 18358
1734 1 14 . 1 1 49 49 ASP N N 49 116.149 116.149 115.531 0.618 18358
1735 1 14 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.622 -0.132 18358
1736 1 14 . 1 1 49 49 ASP H H 49 6.791 6.791 8.287 -1.496 18358
1737 1 14 . 1 1 50 50 HIS N N 50 121.887 121.887 119.396 2.491 18358
1738 1 14 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.807 -0.324 18358
1739 1 14 . 1 1 50 50 HIS H H 50 7.016 7.016 7.898 -0.882 18358
1740 1 14 . 1 1 51 51 CYS N N 51 118.443 118.443 118.331 0.112 18358
1741 1 14 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.562 -0.072 18358
1742 1 14 . 1 1 51 51 CYS H H 51 8.059 8.059 8.171 -0.112 18358
1743 1 14 . 1 1 52 52 HIS N N 52 123.835 123.835 116.962 6.873 18358
1744 1 14 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.791 -0.210 18358
1745 1 14 . 1 1 52 52 HIS H H 52 8.294 8.294 7.524 0.770 18358
1746 1 14 . 1 1 54 54 VAL HA H 54 4.013 4.013 4.134 -0.121 18358
1747 1 14 . 1 1 55 55 CYS N N 55 116.926 116.926 118.060 -1.134 18358
1748 1 14 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.144 0.085 18358
1749 1 14 . 1 1 55 55 CYS H H 55 7.314 7.314 7.988 -0.674 18358
1750 1 14 . 1 1 56 56 LYS N N 56 117.865 117.865 117.687 0.178 18358
1751 1 14 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.179 -0.064 18358
1752 1 14 . 1 1 56 56 LYS H H 56 6.427 6.427 7.896 -1.469 18358
1753 1 14 . 1 1 57 57 ASP N N 57 122.411 122.411 120.830 1.581 18358
1754 1 14 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.461 -0.355 18358
1755 1 14 . 1 1 57 57 ASP H H 57 8.415 8.415 7.526 0.889 18358
1756 1 14 . 1 1 58 58 LEU N N 58 115.608 115.608 121.513 -5.905 18358
1757 1 14 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.523 -0.311 18358
1758 1 14 . 1 1 58 58 LEU H H 58 7.593 7.593 7.732 -0.139 18358
1759 1 14 . 1 1 59 59 HIS N N 59 113.919 113.919 122.251 -8.332 18358
1760 1 14 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.418 -0.102 18358
1761 1 14 . 1 1 59 59 HIS H H 59 7.866 7.866 8.062 -0.196 18358
1762 1 14 . 1 1 60 60 LEU N N 60 116.798 116.798 125.190 -8.392 18358
1763 1 14 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.403 -0.112 18358
1764 1 14 . 1 1 60 60 LEU H H 60 7.762 7.762 8.307 -0.545 18358
1765 1 15 . 1 1 8 8 LEU N N 8 117.542 117.542 120.672 -3.130 18358
1766 1 15 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.300 -0.179 18358
1767 1 15 . 1 1 8 8 LEU H H 8 7.735 7.735 7.807 -0.072 18358
1768 1 15 . 1 1 9 9 LYS N N 9 123.335 123.335 118.289 5.046 18358
1769 1 15 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.317 -0.239 18358
1770 1 15 . 1 1 9 9 LYS H H 9 7.831 7.831 8.444 -0.613 18358
1771 1 15 . 1 1 10 10 LYS N N 10 121.522 121.522 119.014 2.508 18358
1772 1 15 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.152 -0.495 18358
1773 1 15 . 1 1 10 10 LYS H H 10 8.627 8.627 7.472 1.155 18358
1774 1 15 . 1 1 11 11 VAL N N 11 117.576 117.576 118.979 -1.403 18358
1775 1 15 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.884 -0.151 18358
1776 1 15 . 1 1 11 11 VAL H H 11 7.491 7.491 7.765 -0.274 18358
1777 1 15 . 1 1 12 12 ALA N N 12 123.018 123.018 121.878 1.140 18358
1778 1 15 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.308 -0.177 18358
1779 1 15 . 1 1 12 12 ALA H H 12 7.898 7.898 7.673 0.225 18358
1780 1 15 . 1 1 13 13 CYS N N 13 113.951 113.951 115.902 -1.951 18358
1781 1 15 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.267 0.320 18358
1782 1 15 . 1 1 13 13 CYS H H 13 8.394 8.394 7.718 0.676 18358
1783 1 15 . 1 1 14 14 ALA N N 14 124.346 124.346 123.636 0.710 18358
1784 1 15 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.074 -0.047 18358
1785 1 15 . 1 1 14 14 ALA H H 14 7.549 7.549 7.761 -0.212 18358
1786 1 15 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.322 -0.119 18358
1787 1 15 . 1 1 16 16 ALA N N 16 124.554 124.554 119.326 5.228 18358
1788 1 15 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.550 -0.475 18358
1789 1 15 . 1 1 16 16 ALA H H 16 8.570 8.570 7.426 1.144 18358
1790 1 15 . 1 1 17 17 ILE N N 17 119.462 119.462 119.535 -0.073 18358
1791 1 15 . 1 1 17 17 ILE HA H 17 3.416 3.416 4.118 -0.702 18358
1792 1 15 . 1 1 17 17 ILE H H 17 8.475 8.475 7.725 0.750 18358
1793 1 15 . 1 1 18 18 ALA N N 18 121.295 121.295 122.336 -1.041 18358
1794 1 15 . 1 1 18 18 ALA HA H 18 4.069 4.069 3.979 0.090 18358
1795 1 15 . 1 1 18 18 ALA H H 18 8.288 8.288 7.557 0.731 18358
1796 1 15 . 1 1 19 19 GLY N N 19 105.669 105.669 104.191 1.478 18358
1797 1 15 . 1 1 19 19 GLY H H 19 8.399 8.399 8.673 -0.274 18358
1798 1 15 . 1 1 20 20 ALA N N 20 127.175 127.175 123.527 3.648 18358
1799 1 15 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.230 -0.149 18358
1800 1 15 . 1 1 20 20 ALA H H 20 7.972 7.972 7.535 0.437 18358
1801 1 15 . 1 1 21 21 VAL N N 21 118.978 118.978 120.593 -1.615 18358
1802 1 15 . 1 1 21 21 VAL HA H 21 3.365 3.365 4.001 -0.636 18358
1803 1 15 . 1 1 21 21 VAL H H 21 8.435 8.435 7.539 0.896 18358
1804 1 15 . 1 1 22 22 ALA N N 22 121.005 121.005 121.082 -0.077 18358
1805 1 15 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.144 -0.070 18358
1806 1 15 . 1 1 22 22 ALA H H 22 7.835 7.835 7.559 0.276 18358
1807 1 15 . 1 1 23 23 ALA N N 23 121.200 121.200 120.480 0.720 18358
1808 1 15 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.165 -0.102 18358
1809 1 15 . 1 1 23 23 ALA H H 23 8.062 8.062 7.734 0.328 18358
1810 1 15 . 1 1 24 24 CYS N N 24 114.529 114.529 115.707 -1.178 18358
1811 1 15 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.538 -0.050 18358
1812 1 15 . 1 1 24 24 CYS H H 24 8.045 8.045 8.310 -0.265 18358
1813 1 15 . 1 1 25 25 GLY N N 25 109.695 109.695 108.819 0.876 18358
1814 1 15 . 1 1 25 25 GLY H H 25 7.916 7.916 8.155 -0.239 18358
1815 1 15 . 1 1 26 26 GLY N N 26 107.481 107.481 107.726 -0.245 18358
1816 1 15 . 1 1 26 26 GLY H H 26 8.056 8.056 8.001 0.055 18358
1817 1 15 . 1 1 27 27 ILE N N 27 117.952 117.952 120.252 -2.300 18358
1818 1 15 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.550 -0.805 18358
1819 1 15 . 1 1 27 27 ILE H H 27 8.342 8.342 8.256 0.086 18358
1820 1 15 . 1 1 28 28 ASP N N 28 128.285 128.285 128.922 -0.637 18358
1821 1 15 . 1 1 28 28 ASP H H 28 7.060 7.060 8.925 -1.865 18358
1822 1 15 . 1 1 29 29 LEU N N 29 124.546 124.546 117.083 7.463 18358
1823 1 15 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.611 -0.609 18358
1824 1 15 . 1 1 29 29 LEU H H 29 8.907 8.907 8.350 0.557 18358
1825 1 15 . 1 1 31 31 CYS N N 31 117.630 117.630 113.374 4.256 18358
1826 1 15 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.546 -0.379 18358
1827 1 15 . 1 1 31 31 CYS H H 31 7.340 7.340 8.526 -1.186 18358
1828 1 15 . 1 1 32 32 VAL N N 32 124.340 124.340 122.350 1.990 18358
1829 1 15 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.906 -0.728 18358
1830 1 15 . 1 1 32 32 VAL H H 32 8.718 8.718 7.572 1.146 18358
1831 1 15 . 1 1 33 33 LEU N N 33 117.743 117.743 120.939 -3.196 18358
1832 1 15 . 1 1 33 33 LEU HA H 33 3.692 3.692 4.044 -0.352 18358
1833 1 15 . 1 1 33 33 LEU H H 33 8.512 8.512 8.111 0.401 18358
1834 1 15 . 1 1 34 34 ALA N N 34 120.707 120.707 121.186 -0.479 18358
1835 1 15 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.007 0.060 18358
1836 1 15 . 1 1 34 34 ALA H H 34 7.508 7.508 7.571 -0.063 18358
1837 1 15 . 1 1 35 35 ALA N N 35 121.539 121.539 119.166 2.373 18358
1838 1 15 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.191 -0.017 18358
1839 1 15 . 1 1 35 35 ALA H H 35 7.765 7.765 8.182 -0.417 18358
1840 1 15 . 1 1 36 36 LEU N N 36 116.961 116.961 117.507 -0.546 18358
1841 1 15 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.280 -0.073 18358
1842 1 15 . 1 1 36 36 LEU H H 36 8.322 8.322 7.542 0.780 18358
1843 1 15 . 1 1 37 37 LYS N N 37 121.909 121.909 120.426 1.483 18358
1844 1 15 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.399 -0.411 18358
1845 1 15 . 1 1 37 37 LYS H H 37 7.335 7.335 7.324 0.011 18358
1846 1 15 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.140 0.650 18358
1847 1 15 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.142 -0.157 18358
1848 1 15 . 1 1 45 45 CYS N N 45 118.951 118.951 118.888 0.063 18358
1849 1 15 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.651 -0.310 18358
1850 1 15 . 1 1 45 45 CYS H H 45 7.104 7.104 7.588 -0.484 18358
1851 1 15 . 1 1 46 46 PHE N N 46 120.196 120.196 123.291 -3.095 18358
1852 1 15 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.352 0.247 18358
1853 1 15 . 1 1 46 46 PHE H H 46 7.984 7.984 8.045 -0.061 18358
1854 1 15 . 1 1 47 47 CYS N N 47 115.827 115.827 117.135 -1.308 18358
1855 1 15 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.373 -0.054 18358
1856 1 15 . 1 1 47 47 CYS H H 47 8.773 8.773 8.035 0.738 18358
1857 1 15 . 1 1 48 48 GLU N N 48 117.841 117.841 121.202 -3.361 18358
1858 1 15 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.041 -0.112 18358
1859 1 15 . 1 1 48 48 GLU H H 48 7.775 7.775 7.516 0.259 18358
1860 1 15 . 1 1 49 49 ASP N N 49 116.149 116.149 115.266 0.883 18358
1861 1 15 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.606 -0.116 18358
1862 1 15 . 1 1 49 49 ASP H H 49 6.791 6.791 8.064 -1.273 18358
1863 1 15 . 1 1 50 50 HIS N N 50 121.887 121.887 119.815 2.072 18358
1864 1 15 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.568 -0.085 18358
1865 1 15 . 1 1 50 50 HIS H H 50 7.016 7.016 7.791 -0.775 18358
1866 1 15 . 1 1 51 51 CYS N N 51 118.443 118.443 117.669 0.774 18358
1867 1 15 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.785 -0.295 18358
1868 1 15 . 1 1 51 51 CYS H H 51 8.059 8.059 7.779 0.280 18358
1869 1 15 . 1 1 52 52 HIS N N 52 123.835 123.835 115.480 8.355 18358
1870 1 15 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.656 -0.075 18358
1871 1 15 . 1 1 52 52 HIS H H 52 8.294 8.294 7.243 1.051 18358
1872 1 15 . 1 1 54 54 VAL HA H 54 4.013 4.013 4.086 -0.073 18358
1873 1 15 . 1 1 55 55 CYS N N 55 116.926 116.926 119.254 -2.328 18358
1874 1 15 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.252 -0.023 18358
1875 1 15 . 1 1 55 55 CYS H H 55 7.314 7.314 7.790 -0.476 18358
1876 1 15 . 1 1 56 56 LYS N N 56 117.865 117.865 120.079 -2.214 18358
1877 1 15 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.140 -0.025 18358
1878 1 15 . 1 1 56 56 LYS H H 56 6.427 6.427 7.574 -1.147 18358
1879 1 15 . 1 1 57 57 ASP N N 57 122.411 122.411 118.733 3.678 18358
1880 1 15 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.517 -0.411 18358
1881 1 15 . 1 1 57 57 ASP H H 57 8.415 8.415 7.796 0.619 18358
1882 1 15 . 1 1 58 58 LEU N N 58 115.608 115.608 120.162 -4.554 18358
1883 1 15 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.123 0.089 18358
1884 1 15 . 1 1 58 58 LEU H H 58 7.593 7.593 7.665 -0.072 18358
1885 1 15 . 1 1 59 59 HIS N N 59 113.919 113.919 115.214 -1.295 18358
1886 1 15 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.721 -0.405 18358
1887 1 15 . 1 1 59 59 HIS H H 59 7.866 7.866 8.128 -0.262 18358
1888 1 15 . 1 1 60 60 LEU N N 60 116.798 116.798 115.841 0.957 18358
1889 1 15 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.687 -0.396 18358
1890 1 15 . 1 1 60 60 LEU H H 60 7.762 7.762 8.462 -0.700 18358
1891 1 16 . 1 1 8 8 LEU N N 8 117.542 117.542 123.812 -6.270 18358
1892 1 16 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.277 -0.156 18358
1893 1 16 . 1 1 8 8 LEU H H 8 7.735 7.735 7.749 -0.014 18358
1894 1 16 . 1 1 9 9 LYS N N 9 123.335 123.335 118.584 4.751 18358
1895 1 16 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.342 -0.264 18358
1896 1 16 . 1 1 9 9 LYS H H 9 7.831 7.831 8.434 -0.603 18358
1897 1 16 . 1 1 10 10 LYS N N 10 121.522 121.522 120.634 0.888 18358
1898 1 16 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.078 -0.421 18358
1899 1 16 . 1 1 10 10 LYS H H 10 8.627 8.627 8.310 0.317 18358
1900 1 16 . 1 1 11 11 VAL N N 11 117.576 117.576 118.445 -0.869 18358
1901 1 16 . 1 1 11 11 VAL HA H 11 3.733 3.733 4.182 -0.449 18358
1902 1 16 . 1 1 11 11 VAL H H 11 7.491 7.491 7.671 -0.180 18358
1903 1 16 . 1 1 12 12 ALA N N 12 123.018 123.018 121.739 1.279 18358
1904 1 16 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.025 0.106 18358
1905 1 16 . 1 1 12 12 ALA H H 12 7.898 7.898 7.665 0.233 18358
1906 1 16 . 1 1 13 13 CYS N N 13 113.951 113.951 110.883 3.068 18358
1907 1 16 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.240 0.347 18358
1908 1 16 . 1 1 13 13 CYS H H 13 8.394 8.394 7.981 0.413 18358
1909 1 16 . 1 1 14 14 ALA N N 14 124.346 124.346 121.301 3.045 18358
1910 1 16 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.330 -0.303 18358
1911 1 16 . 1 1 14 14 ALA H H 14 7.549 7.549 7.741 -0.192 18358
1912 1 16 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.421 -0.218 18358
1913 1 16 . 1 1 16 16 ALA N N 16 124.554 124.554 119.934 4.620 18358
1914 1 16 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.164 -0.089 18358
1915 1 16 . 1 1 16 16 ALA H H 16 8.570 8.570 8.533 0.037 18358
1916 1 16 . 1 1 17 17 ILE N N 17 119.462 119.462 117.574 1.888 18358
1917 1 16 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.776 -0.360 18358
1918 1 16 . 1 1 17 17 ILE H H 17 8.475 8.475 7.491 0.984 18358
1919 1 16 . 1 1 18 18 ALA N N 18 121.295 121.295 121.490 -0.195 18358
1920 1 16 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.046 0.023 18358
1921 1 16 . 1 1 18 18 ALA H H 18 8.288 8.288 7.556 0.732 18358
1922 1 16 . 1 1 19 19 GLY N N 19 105.669 105.669 104.891 0.778 18358
1923 1 16 . 1 1 19 19 GLY H H 19 8.399 8.399 7.945 0.454 18358
1924 1 16 . 1 1 20 20 ALA N N 20 127.175 127.175 122.763 4.412 18358
1925 1 16 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.270 -0.189 18358
1926 1 16 . 1 1 20 20 ALA H H 20 7.972 7.972 7.140 0.832 18358
1927 1 16 . 1 1 21 21 VAL N N 21 118.978 118.978 119.153 -0.175 18358
1928 1 16 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.908 -0.543 18358
1929 1 16 . 1 1 21 21 VAL H H 21 8.435 8.435 7.248 1.187 18358
1930 1 16 . 1 1 22 22 ALA N N 22 121.005 121.005 120.653 0.352 18358
1931 1 16 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.170 -0.096 18358
1932 1 16 . 1 1 22 22 ALA H H 22 7.835 7.835 7.808 0.027 18358
1933 1 16 . 1 1 23 23 ALA N N 23 121.200 121.200 120.946 0.254 18358
1934 1 16 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.163 -0.100 18358
1935 1 16 . 1 1 23 23 ALA H H 23 8.062 8.062 7.734 0.328 18358
1936 1 16 . 1 1 24 24 CYS N N 24 114.529 114.529 116.899 -2.370 18358
1937 1 16 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.443 0.045 18358
1938 1 16 . 1 1 24 24 CYS H H 24 8.045 8.045 7.751 0.294 18358
1939 1 16 . 1 1 25 25 GLY N N 25 109.695 109.695 108.723 0.972 18358
1940 1 16 . 1 1 25 25 GLY H H 25 7.916 7.916 8.067 -0.151 18358
1941 1 16 . 1 1 26 26 GLY N N 26 107.481 107.481 107.464 0.017 18358
1942 1 16 . 1 1 26 26 GLY H H 26 8.056 8.056 8.120 -0.064 18358
1943 1 16 . 1 1 27 27 ILE N N 27 117.952 117.952 120.641 -2.689 18358
1944 1 16 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.512 -0.767 18358
1945 1 16 . 1 1 27 27 ILE H H 27 8.342 8.342 8.389 -0.047 18358
1946 1 16 . 1 1 28 28 ASP N N 28 128.285 128.285 128.514 -0.229 18358
1947 1 16 . 1 1 28 28 ASP H H 28 7.060 7.060 8.866 -1.806 18358
1948 1 16 . 1 1 29 29 LEU N N 29 124.546 124.546 119.828 4.718 18358
1949 1 16 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.149 -0.147 18358
1950 1 16 . 1 1 29 29 LEU H H 29 8.907 8.907 8.160 0.747 18358
1951 1 16 . 1 1 31 31 CYS N N 31 117.630 117.630 115.328 2.302 18358
1952 1 16 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.551 -0.384 18358
1953 1 16 . 1 1 31 31 CYS H H 31 7.340 7.340 8.363 -1.023 18358
1954 1 16 . 1 1 32 32 VAL N N 32 124.340 124.340 122.419 1.921 18358
1955 1 16 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.835 -0.657 18358
1956 1 16 . 1 1 32 32 VAL H H 32 8.718 8.718 7.769 0.949 18358
1957 1 16 . 1 1 33 33 LEU N N 33 117.743 117.743 118.039 -0.296 18358
1958 1 16 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.987 -0.295 18358
1959 1 16 . 1 1 33 33 LEU H H 33 8.512 8.512 8.305 0.207 18358
1960 1 16 . 1 1 34 34 ALA N N 34 120.707 120.707 121.648 -0.941 18358
1961 1 16 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.146 -0.079 18358
1962 1 16 . 1 1 34 34 ALA H H 34 7.508 7.508 7.600 -0.092 18358
1963 1 16 . 1 1 35 35 ALA N N 35 121.539 121.539 119.113 2.426 18358
1964 1 16 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.331 -0.157 18358
1965 1 16 . 1 1 35 35 ALA H H 35 7.765 7.765 7.612 0.153 18358
1966 1 16 . 1 1 36 36 LEU N N 36 116.961 116.961 117.362 -0.401 18358
1967 1 16 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.610 -0.403 18358
1968 1 16 . 1 1 36 36 LEU H H 36 8.322 8.322 7.368 0.954 18358
1969 1 16 . 1 1 37 37 LYS N N 37 121.909 121.909 119.935 1.974 18358
1970 1 16 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.940 0.048 18358
1971 1 16 . 1 1 37 37 LYS H H 37 7.335 7.335 7.752 -0.417 18358
1972 1 16 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.057 0.733 18358
1973 1 16 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.428 -0.443 18358
1974 1 16 . 1 1 45 45 CYS N N 45 118.951 118.951 116.343 2.608 18358
1975 1 16 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.588 -0.247 18358
1976 1 16 . 1 1 45 45 CYS H H 45 7.104 7.104 7.950 -0.846 18358
1977 1 16 . 1 1 46 46 PHE N N 46 120.196 120.196 124.019 -3.823 18358
1978 1 16 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.342 0.257 18358
1979 1 16 . 1 1 46 46 PHE H H 46 7.984 7.984 7.933 0.051 18358
1980 1 16 . 1 1 47 47 CYS N N 47 115.827 115.827 118.056 -2.229 18358
1981 1 16 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.682 -0.363 18358
1982 1 16 . 1 1 47 47 CYS H H 47 8.773 8.773 8.139 0.634 18358
1983 1 16 . 1 1 48 48 GLU N N 48 117.841 117.841 122.128 -4.287 18358
1984 1 16 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.240 -0.311 18358
1985 1 16 . 1 1 48 48 GLU H H 48 7.775 7.775 8.062 -0.287 18358
1986 1 16 . 1 1 49 49 ASP N N 49 116.149 116.149 116.433 -0.284 18358
1987 1 16 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.666 -0.176 18358
1988 1 16 . 1 1 49 49 ASP H H 49 6.791 6.791 8.440 -1.649 18358
1989 1 16 . 1 1 50 50 HIS N N 50 121.887 121.887 119.865 2.022 18358
1990 1 16 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.906 -0.423 18358
1991 1 16 . 1 1 50 50 HIS H H 50 7.016 7.016 8.061 -1.045 18358
1992 1 16 . 1 1 51 51 CYS N N 51 118.443 118.443 119.919 -1.476 18358
1993 1 16 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.773 -0.283 18358
1994 1 16 . 1 1 51 51 CYS H H 51 8.059 8.059 8.020 0.039 18358
1995 1 16 . 1 1 52 52 HIS N N 52 123.835 123.835 115.652 8.183 18358
1996 1 16 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.679 -0.098 18358
1997 1 16 . 1 1 52 52 HIS H H 52 8.294 8.294 8.176 0.118 18358
1998 1 16 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.433 0.580 18358
1999 1 16 . 1 1 55 55 CYS N N 55 116.926 116.926 120.222 -3.296 18358
2000 1 16 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.176 0.053 18358
2001 1 16 . 1 1 55 55 CYS H H 55 7.314 7.314 8.364 -1.050 18358
2002 1 16 . 1 1 56 56 LYS N N 56 117.865 117.865 119.981 -2.116 18358
2003 1 16 . 1 1 56 56 LYS HA H 56 4.115 4.115 3.925 0.190 18358
2004 1 16 . 1 1 56 56 LYS H H 56 6.427 6.427 8.348 -1.921 18358
2005 1 16 . 1 1 57 57 ASP N N 57 122.411 122.411 118.064 4.347 18358
2006 1 16 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.367 -0.261 18358
2007 1 16 . 1 1 57 57 ASP H H 57 8.415 8.415 7.577 0.838 18358
2008 1 16 . 1 1 58 58 LEU N N 58 115.608 115.608 117.121 -1.513 18358
2009 1 16 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.380 -0.168 18358
2010 1 16 . 1 1 58 58 LEU H H 58 7.593 7.593 7.363 0.230 18358
2011 1 16 . 1 1 59 59 HIS N N 59 113.919 113.919 117.272 -3.353 18358
2012 1 16 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.318 -0.002 18358
2013 1 16 . 1 1 59 59 HIS H H 59 7.866 7.866 7.883 -0.017 18358
2014 1 16 . 1 1 60 60 LEU N N 60 116.798 116.798 121.212 -4.414 18358
2015 1 16 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.687 -0.396 18358
2016 1 16 . 1 1 60 60 LEU H H 60 7.762 7.762 8.527 -0.765 18358
2017 1 17 . 1 1 8 8 LEU N N 8 117.542 117.542 117.832 -0.290 18358
2018 1 17 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.095 0.026 18358
2019 1 17 . 1 1 8 8 LEU H H 8 7.735 7.735 7.857 -0.122 18358
2020 1 17 . 1 1 9 9 LYS N N 9 123.335 123.335 114.060 9.275 18358
2021 1 17 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.467 -0.389 18358
2022 1 17 . 1 1 9 9 LYS H H 9 7.831 7.831 7.893 -0.062 18358
2023 1 17 . 1 1 10 10 LYS N N 10 121.522 121.522 120.002 1.520 18358
2024 1 17 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.410 -0.753 18358
2025 1 17 . 1 1 10 10 LYS H H 10 8.627 8.627 7.837 0.790 18358
2026 1 17 . 1 1 11 11 VAL N N 11 117.576 117.576 118.837 -1.261 18358
2027 1 17 . 1 1 11 11 VAL HA H 11 3.733 3.733 4.247 -0.514 18358
2028 1 17 . 1 1 11 11 VAL H H 11 7.491 7.491 7.768 -0.277 18358
2029 1 17 . 1 1 12 12 ALA N N 12 123.018 123.018 124.699 -1.681 18358
2030 1 17 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.070 0.061 18358
2031 1 17 . 1 1 12 12 ALA H H 12 7.898 7.898 8.405 -0.507 18358
2032 1 17 . 1 1 13 13 CYS N N 13 113.951 113.951 113.973 -0.022 18358
2033 1 17 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.373 0.214 18358
2034 1 17 . 1 1 13 13 CYS H H 13 8.394 8.394 8.339 0.055 18358
2035 1 17 . 1 1 14 14 ALA N N 14 124.346 124.346 121.478 2.868 18358
2036 1 17 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.466 -0.439 18358
2037 1 17 . 1 1 14 14 ALA H H 14 7.549 7.549 7.901 -0.352 18358
2038 1 17 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.344 -0.141 18358
2039 1 17 . 1 1 16 16 ALA N N 16 124.554 124.554 118.550 6.004 18358
2040 1 17 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.386 -0.311 18358
2041 1 17 . 1 1 16 16 ALA H H 16 8.570 8.570 7.627 0.943 18358
2042 1 17 . 1 1 17 17 ILE N N 17 119.462 119.462 117.763 1.699 18358
2043 1 17 . 1 1 17 17 ILE HA H 17 3.416 3.416 4.008 -0.592 18358
2044 1 17 . 1 1 17 17 ILE H H 17 8.475 8.475 7.537 0.938 18358
2045 1 17 . 1 1 18 18 ALA N N 18 121.295 121.295 123.190 -1.895 18358
2046 1 17 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.125 -0.056 18358
2047 1 17 . 1 1 18 18 ALA H H 18 8.288 8.288 7.825 0.463 18358
2048 1 17 . 1 1 19 19 GLY N N 19 105.669 105.669 103.329 2.340 18358
2049 1 17 . 1 1 19 19 GLY H H 19 8.399 8.399 8.511 -0.112 18358
2050 1 17 . 1 1 20 20 ALA N N 20 127.175 127.175 122.597 4.578 18358
2051 1 17 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.677 -0.596 18358
2052 1 17 . 1 1 20 20 ALA H H 20 7.972 7.972 7.582 0.390 18358
2053 1 17 . 1 1 21 21 VAL N N 21 118.978 118.978 121.615 -2.637 18358
2054 1 17 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.606 -0.241 18358
2055 1 17 . 1 1 21 21 VAL H H 21 8.435 8.435 7.338 1.097 18358
2056 1 17 . 1 1 22 22 ALA N N 22 121.005 121.005 119.566 1.439 18358
2057 1 17 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.178 -0.104 18358
2058 1 17 . 1 1 22 22 ALA H H 22 7.835 7.835 8.610 -0.775 18358
2059 1 17 . 1 1 23 23 ALA N N 23 121.200 121.200 120.226 0.974 18358
2060 1 17 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.319 -0.256 18358
2061 1 17 . 1 1 23 23 ALA H H 23 8.062 8.062 7.593 0.469 18358
2062 1 17 . 1 1 24 24 CYS N N 24 114.529 114.529 116.907 -2.378 18358
2063 1 17 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.731 -0.243 18358
2064 1 17 . 1 1 24 24 CYS H H 24 8.045 8.045 7.701 0.344 18358
2065 1 17 . 1 1 25 25 GLY N N 25 109.695 109.695 111.473 -1.778 18358
2066 1 17 . 1 1 25 25 GLY H H 25 7.916 7.916 8.622 -0.706 18358
2067 1 17 . 1 1 26 26 GLY N N 26 107.481 107.481 107.844 -0.363 18358
2068 1 17 . 1 1 26 26 GLY H H 26 8.056 8.056 7.743 0.313 18358
2069 1 17 . 1 1 27 27 ILE N N 27 117.952 117.952 116.500 1.452 18358
2070 1 17 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.112 -0.367 18358
2071 1 17 . 1 1 27 27 ILE H H 27 8.342 8.342 8.105 0.237 18358
2072 1 17 . 1 1 28 28 ASP N N 28 128.285 128.285 126.948 1.337 18358
2073 1 17 . 1 1 28 28 ASP H H 28 7.060 7.060 8.285 -1.225 18358
2074 1 17 . 1 1 29 29 LEU N N 29 124.546 124.546 116.615 7.931 18358
2075 1 17 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.520 -0.518 18358
2076 1 17 . 1 1 29 29 LEU H H 29 8.907 8.907 8.407 0.500 18358
2077 1 17 . 1 1 31 31 CYS N N 31 117.630 117.630 112.370 5.260 18358
2078 1 17 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.634 -0.467 18358
2079 1 17 . 1 1 31 31 CYS H H 31 7.340 7.340 7.913 -0.573 18358
2080 1 17 . 1 1 32 32 VAL N N 32 124.340 124.340 122.731 1.609 18358
2081 1 17 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.850 -0.672 18358
2082 1 17 . 1 1 32 32 VAL H H 32 8.718 8.718 7.726 0.992 18358
2083 1 17 . 1 1 33 33 LEU N N 33 117.743 117.743 120.700 -2.957 18358
2084 1 17 . 1 1 33 33 LEU HA H 33 3.692 3.692 3.995 -0.303 18358
2085 1 17 . 1 1 33 33 LEU H H 33 8.512 8.512 7.905 0.607 18358
2086 1 17 . 1 1 34 34 ALA N N 34 120.707 120.707 120.092 0.615 18358
2087 1 17 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.198 -0.131 18358
2088 1 17 . 1 1 34 34 ALA H H 34 7.508 7.508 7.531 -0.023 18358
2089 1 17 . 1 1 35 35 ALA N N 35 121.539 121.539 118.741 2.798 18358
2090 1 17 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.460 -0.286 18358
2091 1 17 . 1 1 35 35 ALA H H 35 7.765 7.765 7.609 0.156 18358
2092 1 17 . 1 1 36 36 LEU N N 36 116.961 116.961 121.545 -4.584 18358
2093 1 17 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.568 -0.361 18358
2094 1 17 . 1 1 36 36 LEU H H 36 8.322 8.322 7.496 0.826 18358
2095 1 17 . 1 1 37 37 LYS N N 37 121.909 121.909 121.914 -0.005 18358
2096 1 17 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.291 -0.303 18358
2097 1 17 . 1 1 37 37 LYS H H 37 7.335 7.335 7.719 -0.384 18358
2098 1 17 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.613 0.177 18358
2099 1 17 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.800 -0.815 18358
2100 1 17 . 1 1 45 45 CYS N N 45 118.951 118.951 116.582 2.369 18358
2101 1 17 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.567 -0.226 18358
2102 1 17 . 1 1 45 45 CYS H H 45 7.104 7.104 8.427 -1.323 18358
2103 1 17 . 1 1 46 46 PHE N N 46 120.196 120.196 123.164 -2.968 18358
2104 1 17 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.608 -0.009 18358
2105 1 17 . 1 1 46 46 PHE H H 46 7.984 7.984 7.632 0.352 18358
2106 1 17 . 1 1 47 47 CYS N N 47 115.827 115.827 118.961 -3.134 18358
2107 1 17 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.468 -0.149 18358
2108 1 17 . 1 1 47 47 CYS H H 47 8.773 8.773 8.302 0.471 18358
2109 1 17 . 1 1 48 48 GLU N N 48 117.841 117.841 122.357 -4.516 18358
2110 1 17 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.220 -0.291 18358
2111 1 17 . 1 1 48 48 GLU H H 48 7.775 7.775 7.825 -0.050 18358
2112 1 17 . 1 1 49 49 ASP N N 49 116.149 116.149 116.185 -0.036 18358
2113 1 17 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.525 -0.035 18358
2114 1 17 . 1 1 49 49 ASP H H 49 6.791 6.791 8.292 -1.501 18358
2115 1 17 . 1 1 50 50 HIS N N 50 121.887 121.887 119.081 2.806 18358
2116 1 17 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.905 -0.422 18358
2117 1 17 . 1 1 50 50 HIS H H 50 7.016 7.016 8.015 -0.999 18358
2118 1 17 . 1 1 51 51 CYS N N 51 118.443 118.443 119.042 -0.599 18358
2119 1 17 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.811 -0.321 18358
2120 1 17 . 1 1 51 51 CYS H H 51 8.059 8.059 7.807 0.252 18358
2121 1 17 . 1 1 52 52 HIS N N 52 123.835 123.835 120.949 2.886 18358
2122 1 17 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.565 0.016 18358
2123 1 17 . 1 1 52 52 HIS H H 52 8.294 8.294 8.489 -0.195 18358
2124 1 17 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.476 0.537 18358
2125 1 17 . 1 1 55 55 CYS N N 55 116.926 116.926 121.254 -4.328 18358
2126 1 17 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.152 0.077 18358
2127 1 17 . 1 1 55 55 CYS H H 55 7.314 7.314 8.285 -0.971 18358
2128 1 17 . 1 1 56 56 LYS N N 56 117.865 117.865 118.743 -0.878 18358
2129 1 17 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.204 -0.089 18358
2130 1 17 . 1 1 56 56 LYS H H 56 6.427 6.427 7.807 -1.380 18358
2131 1 17 . 1 1 57 57 ASP N N 57 122.411 122.411 120.096 2.315 18358
2132 1 17 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.478 -0.372 18358
2133 1 17 . 1 1 57 57 ASP H H 57 8.415 8.415 7.596 0.819 18358
2134 1 17 . 1 1 58 58 LEU N N 58 115.608 115.608 118.115 -2.507 18358
2135 1 17 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.376 -0.164 18358
2136 1 17 . 1 1 58 58 LEU H H 58 7.593 7.593 7.507 0.086 18358
2137 1 17 . 1 1 59 59 HIS N N 59 113.919 113.919 117.166 -3.247 18358
2138 1 17 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.279 0.037 18358
2139 1 17 . 1 1 59 59 HIS H H 59 7.866 7.866 7.910 -0.044 18358
2140 1 17 . 1 1 60 60 LEU N N 60 116.798 116.798 116.695 0.103 18358
2141 1 17 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.834 -0.543 18358
2142 1 17 . 1 1 60 60 LEU H H 60 7.762 7.762 8.108 -0.346 18358
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 42 2.874 -0.002 2.909 18358
2 1 1 "Average Difference" HA 47 0.277 0.139 0.242 18358
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18358
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18358
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18358
6 1 1 "Average Difference" HN 42 0.697 0.019 0.705 18358
7 1 2 "Average Difference" N 42 3.110 -0.572 3.094 18358
8 1 2 "Average Difference" HA 47 0.339 0.128 0.317 18358
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18358
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18358
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18358
12 1 2 "Average Difference" HN 42 0.696 -0.028 0.703 18358
13 1 3 "Average Difference" N 42 2.991 -0.506 2.984 18358
14 1 3 "Average Difference" HA 47 0.351 0.178 0.306 18358
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18358
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18358
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18358
18 1 3 "Average Difference" HN 42 0.739 0.024 0.748 18358
19 1 4 "Average Difference" N 42 3.546 -0.722 3.514 18358
20 1 4 "Average Difference" HA 47 0.349 0.138 0.324 18358
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18358
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18358
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18358
24 1 4 "Average Difference" HN 42 0.697 0.033 0.705 18358
25 1 5 "Average Difference" N 42 3.145 -0.161 3.179 18358
26 1 5 "Average Difference" HA 47 0.325 0.133 0.299 18358
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18358
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18358
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18358
30 1 5 "Average Difference" HN 42 0.714 -0.002 0.722 18358
31 1 6 "Average Difference" N 42 2.928 -0.258 2.952 18358
32 1 6 "Average Difference" HA 47 0.328 0.179 0.279 18358
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18358
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18358
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18358
36 1 6 "Average Difference" HN 42 0.683 0.063 0.688 18358
37 1 7 "Average Difference" N 42 2.871 -0.446 2.870 18358
38 1 7 "Average Difference" HA 47 0.302 0.086 0.293 18358
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18358
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18358
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18358
42 1 7 "Average Difference" HN 42 0.699 0.010 0.707 18358
43 1 8 "Average Difference" N 42 3.764 -0.238 3.802 18358
44 1 8 "Average Difference" HA 47 0.322 0.139 0.294 18358
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18358
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18358
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18358
48 1 8 "Average Difference" HN 42 0.741 0.029 0.749 18358
49 1 9 "Average Difference" N 42 3.029 -0.217 3.058 18358
50 1 9 "Average Difference" HA 47 0.343 0.156 0.309 18358
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18358
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18358
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18358
54 1 9 "Average Difference" HN 42 0.639 0.005 0.647 18358
55 1 10 "Average Difference" N 42 2.597 -0.431 2.592 18358
56 1 10 "Average Difference" HA 47 0.321 0.133 0.296 18358
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18358
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18358
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18358
60 1 10 "Average Difference" HN 42 0.639 0.001 0.647 18358
61 1 11 "Average Difference" N 42 2.709 -0.282 2.727 18358
62 1 11 "Average Difference" HA 47 0.346 0.161 0.310 18358
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18358
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18358
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18358
66 1 11 "Average Difference" HN 42 0.733 -0.047 0.740 18358
67 1 12 "Average Difference" N 42 2.710 -0.641 2.665 18358
68 1 12 "Average Difference" HA 47 0.324 0.193 0.264 18358
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18358
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18358
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18358
72 1 12 "Average Difference" HN 42 0.689 -0.003 0.697 18358
73 1 13 "Average Difference" N 42 2.649 -0.387 2.653 18358
74 1 13 "Average Difference" HA 47 0.346 0.119 0.328 18358
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18358
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18358
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18358
78 1 13 "Average Difference" HN 42 0.664 0.004 0.672 18358
79 1 14 "Average Difference" N 42 3.365 -0.321 3.390 18358
80 1 14 "Average Difference" HA 47 0.309 0.141 0.277 18358
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18358
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18358
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18358
84 1 14 "Average Difference" HN 42 0.671 0.009 0.679 18358
85 1 15 "Average Difference" N 42 2.869 -0.468 2.865 18358
86 1 15 "Average Difference" HA 47 0.339 0.151 0.307 18358
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18358
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18358
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18358
90 1 15 "Average Difference" HN 42 0.696 -0.045 0.703 18358
91 1 16 "Average Difference" N 42 2.969 -0.371 2.982 18358
92 1 16 "Average Difference" HA 47 0.332 0.128 0.310 18358
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18358
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18358
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18358
96 1 16 "Average Difference" HN 42 0.738 0.034 0.746 18358
97 1 17 "Average Difference" N 42 3.188 -0.479 3.190 18358
98 1 17 "Average Difference" HA 47 0.363 0.218 0.293 18358
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18358
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18358
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18358
102 1 17 "Average Difference" HN 42 0.680 0.020 0.688 18358
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 18358
_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 8 8 LEU N N 8 117.542 117.542 118.932 -1.390 18358
2 1 . 1 1 8 8 LEU HA H 8 4.121 4.121 4.284 -0.163 18358
3 1 . 1 1 8 8 LEU H H 8 7.735 7.735 7.891 -0.156 18358
4 1 . 1 1 9 9 LYS N N 9 123.335 123.335 117.893 5.442 18358
5 1 . 1 1 9 9 LYS HA H 9 4.078 4.078 4.306 -0.228 18358
6 1 . 1 1 9 9 LYS H H 9 7.831 7.831 8.099 -0.268 18358
7 1 . 1 1 10 10 LYS N N 10 121.522 121.522 119.311 2.211 18358
8 1 . 1 1 10 10 LYS HA H 10 3.657 3.657 4.284 -0.627 18358
9 1 . 1 1 10 10 LYS H H 10 8.627 8.627 7.711 0.916 18358
10 1 . 1 1 11 11 VAL N N 11 117.576 117.576 118.663 -1.087 18358
11 1 . 1 1 11 11 VAL HA H 11 3.733 3.733 3.888 -0.155 18358
12 1 . 1 1 11 11 VAL H H 11 7.491 7.491 7.815 -0.324 18358
13 1 . 1 1 12 12 ALA N N 12 123.018 123.018 120.950 2.068 18358
14 1 . 1 1 12 12 ALA HA H 12 4.131 4.131 4.087 0.044 18358
15 1 . 1 1 12 12 ALA H H 12 7.898 7.898 7.969 -0.071 18358
16 1 . 1 1 13 13 CYS N N 13 113.951 113.951 111.553 2.398 18358
17 1 . 1 1 13 13 CYS HA H 13 4.587 4.587 4.196 0.391 18358
18 1 . 1 1 13 13 CYS H H 13 8.394 8.394 8.094 0.300 18358
19 1 . 1 1 14 14 ALA N N 14 124.346 124.346 123.174 1.172 18358
20 1 . 1 1 14 14 ALA HA H 14 4.027 4.027 4.205 -0.178 18358
21 1 . 1 1 14 14 ALA H H 14 7.549 7.549 7.824 -0.275 18358
22 1 . 1 1 15 15 ALA HA H 15 4.203 4.203 4.308 -0.105 18358
23 1 . 1 1 16 16 ALA N N 16 124.554 124.554 120.443 4.111 18358
24 1 . 1 1 16 16 ALA HA H 16 4.075 4.075 4.333 -0.258 18358
25 1 . 1 1 16 16 ALA H H 16 8.570 8.570 7.790 0.780 18358
26 1 . 1 1 17 17 ILE N N 17 119.462 119.462 119.282 0.180 18358
27 1 . 1 1 17 17 ILE HA H 17 3.416 3.416 3.796 -0.380 18358
28 1 . 1 1 17 17 ILE H H 17 8.475 8.475 7.845 0.630 18358
29 1 . 1 1 18 18 ALA N N 18 121.295 121.295 121.342 -0.047 18358
30 1 . 1 1 18 18 ALA HA H 18 4.069 4.069 4.099 -0.030 18358
31 1 . 1 1 18 18 ALA H H 18 8.288 8.288 7.790 0.498 18358
32 1 . 1 1 19 19 GLY N N 19 105.669 105.669 105.063 0.606 18358
33 1 . 1 1 19 19 GLY H H 19 8.399 8.399 7.907 0.492 18358
34 1 . 1 1 20 20 ALA N N 20 127.175 127.175 123.905 3.270 18358
35 1 . 1 1 20 20 ALA HA H 20 4.081 4.081 4.311 -0.230 18358
36 1 . 1 1 20 20 ALA H H 20 7.972 7.972 7.546 0.426 18358
37 1 . 1 1 21 21 VAL N N 21 118.978 118.978 119.708 -0.730 18358
38 1 . 1 1 21 21 VAL HA H 21 3.365 3.365 3.757 -0.392 18358
39 1 . 1 1 21 21 VAL H H 21 8.435 8.435 7.662 0.773 18358
40 1 . 1 1 22 22 ALA N N 22 121.005 121.005 120.863 0.142 18358
41 1 . 1 1 22 22 ALA HA H 22 4.074 4.074 4.113 -0.039 18358
42 1 . 1 1 22 22 ALA H H 22 7.835 7.835 7.745 0.090 18358
43 1 . 1 1 23 23 ALA N N 23 121.200 121.200 120.202 0.998 18358
44 1 . 1 1 23 23 ALA HA H 23 4.063 4.063 4.161 -0.098 18358
45 1 . 1 1 23 23 ALA H H 23 8.062 8.062 7.720 0.342 18358
46 1 . 1 1 24 24 CYS N N 24 114.529 114.529 116.242 -1.713 18358
47 1 . 1 1 24 24 CYS HA H 24 4.488 4.488 4.564 -0.076 18358
48 1 . 1 1 24 24 CYS H H 24 8.045 8.045 7.882 0.163 18358
49 1 . 1 1 25 25 GLY N N 25 109.695 109.695 109.383 0.312 18358
50 1 . 1 1 25 25 GLY H H 25 7.916 7.916 8.025 -0.109 18358
51 1 . 1 1 26 26 GLY N N 26 107.481 107.481 108.209 -0.728 18358
52 1 . 1 1 26 26 GLY H H 26 8.056 8.056 7.918 0.138 18358
53 1 . 1 1 27 27 ILE N N 27 117.952 117.952 120.047 -2.095 18358
54 1 . 1 1 27 27 ILE HA H 27 3.745 3.745 4.354 -0.609 18358
55 1 . 1 1 27 27 ILE H H 27 8.342 8.342 8.345 -0.003 18358
56 1 . 1 1 28 28 ASP N N 28 128.285 128.285 126.863 1.422 18358
57 1 . 1 1 28 28 ASP H H 28 7.060 7.060 8.588 -1.528 18358
58 1 . 1 1 29 29 LEU N N 29 124.546 124.546 118.187 6.359 18358
59 1 . 1 1 29 29 LEU HA H 29 4.002 4.002 4.583 -0.581 18358
60 1 . 1 1 29 29 LEU H H 29 8.907 8.907 8.204 0.703 18358
61 1 . 1 1 31 31 CYS N N 31 117.630 117.630 114.388 3.242 18358
62 1 . 1 1 31 31 CYS HA H 31 4.167 4.167 4.542 -0.375 18358
63 1 . 1 1 31 31 CYS H H 31 7.340 7.340 8.294 -0.954 18358
64 1 . 1 1 32 32 VAL N N 32 124.340 124.340 121.904 2.436 18358
65 1 . 1 1 32 32 VAL HA H 32 3.178 3.178 3.871 -0.693 18358
66 1 . 1 1 32 32 VAL H H 32 8.718 8.718 7.774 0.944 18358
67 1 . 1 1 33 33 LEU N N 33 117.743 117.743 120.604 -2.861 18358
68 1 . 1 1 33 33 LEU HA H 33 3.692 3.692 4.001 -0.309 18358
69 1 . 1 1 33 33 LEU H H 33 8.512 8.512 8.186 0.326 18358
70 1 . 1 1 34 34 ALA N N 34 120.707 120.707 121.509 -0.802 18358
71 1 . 1 1 34 34 ALA HA H 34 4.067 4.067 4.040 0.027 18358
72 1 . 1 1 34 34 ALA H H 34 7.508 7.508 7.700 -0.192 18358
73 1 . 1 1 35 35 ALA N N 35 121.539 121.539 118.709 2.830 18358
74 1 . 1 1 35 35 ALA HA H 35 4.174 4.174 4.374 -0.200 18358
75 1 . 1 1 35 35 ALA H H 35 7.765 7.765 7.734 0.031 18358
76 1 . 1 1 36 36 LEU N N 36 116.961 116.961 118.659 -1.698 18358
77 1 . 1 1 36 36 LEU HA H 36 4.207 4.207 4.478 -0.271 18358
78 1 . 1 1 36 36 LEU H H 36 8.322 8.322 7.570 0.752 18358
79 1 . 1 1 37 37 LYS N N 37 121.909 121.909 119.438 2.471 18358
80 1 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.224 -0.236 18358
81 1 . 1 1 37 37 LYS H H 37 7.335 7.335 7.748 -0.413 18358
82 1 . 1 1 42 42 CYS HA H 42 4.790 4.790 4.431 0.359 18358
83 1 . 1 1 43 43 ALA HA H 43 3.985 3.985 4.364 -0.379 18358
84 1 . 1 1 45 45 CYS N N 45 118.951 118.951 118.482 0.469 18358
85 1 . 1 1 45 45 CYS HA H 45 4.341 4.341 4.565 -0.224 18358
86 1 . 1 1 45 45 CYS H H 45 7.104 7.104 7.958 -0.854 18358
87 1 . 1 1 46 46 PHE N N 46 120.196 120.196 121.470 -1.274 18358
88 1 . 1 1 46 46 PHE HA H 46 4.599 4.599 4.546 0.053 18358
89 1 . 1 1 46 46 PHE H H 46 7.984 7.984 7.837 0.147 18358
90 1 . 1 1 47 47 CYS N N 47 115.827 115.827 118.411 -2.584 18358
91 1 . 1 1 47 47 CYS HA H 47 4.319 4.319 4.565 -0.246 18358
92 1 . 1 1 47 47 CYS H H 47 8.773 8.773 8.082 0.691 18358
93 1 . 1 1 48 48 GLU N N 48 117.841 117.841 121.717 -3.876 18358
94 1 . 1 1 48 48 GLU HA H 48 3.929 3.929 4.117 -0.188 18358
95 1 . 1 1 48 48 GLU H H 48 7.775 7.775 7.891 -0.116 18358
96 1 . 1 1 49 49 ASP N N 49 116.149 116.149 116.608 -0.459 18358
97 1 . 1 1 49 49 ASP HA H 49 4.490 4.490 4.543 -0.053 18358
98 1 . 1 1 49 49 ASP H H 49 6.791 6.791 8.352 -1.561 18358
99 1 . 1 1 50 50 HIS N N 50 121.887 121.887 118.202 3.685 18358
100 1 . 1 1 50 50 HIS HA H 50 4.483 4.483 4.768 -0.285 18358
101 1 . 1 1 50 50 HIS H H 50 7.016 7.016 7.812 -0.796 18358
102 1 . 1 1 51 51 CYS N N 51 118.443 118.443 121.314 -2.871 18358
103 1 . 1 1 51 51 CYS HA H 51 4.490 4.490 4.696 -0.206 18358
104 1 . 1 1 51 51 CYS H H 51 8.059 8.059 8.250 -0.191 18358
105 1 . 1 1 52 52 HIS N N 52 123.835 123.835 119.397 4.438 18358
106 1 . 1 1 52 52 HIS HA H 52 4.581 4.581 4.653 -0.072 18358
107 1 . 1 1 52 52 HIS H H 52 8.294 8.294 8.100 0.194 18358
108 1 . 1 1 54 54 VAL HA H 54 4.013 4.013 3.773 0.240 18358
109 1 . 1 1 55 55 CYS N N 55 116.926 116.926 118.687 -1.761 18358
110 1 . 1 1 55 55 CYS HA H 55 4.229 4.229 4.222 0.007 18358
111 1 . 1 1 55 55 CYS H H 55 7.314 7.314 8.197 -0.883 18358
112 1 . 1 1 56 56 LYS N N 56 117.865 117.865 119.574 -1.709 18358
113 1 . 1 1 56 56 LYS HA H 56 4.115 4.115 4.141 -0.026 18358
114 1 . 1 1 56 56 LYS H H 56 6.427 6.427 7.827 -1.400 18358
115 1 . 1 1 57 57 ASP N N 57 122.411 122.411 119.801 2.610 18358
116 1 . 1 1 57 57 ASP HA H 57 4.106 4.106 4.429 -0.323 18358
117 1 . 1 1 57 57 ASP H H 57 8.415 8.415 7.697 0.718 18358
118 1 . 1 1 58 58 LEU N N 58 115.608 115.608 118.330 -2.722 18358
119 1 . 1 1 58 58 LEU HA H 58 4.212 4.212 4.340 -0.128 18358
120 1 . 1 1 58 58 LEU H H 58 7.593 7.593 7.529 0.064 18358
121 1 . 1 1 59 59 HIS N N 59 113.919 113.919 117.201 -3.282 18358
122 1 . 1 1 59 59 HIS HA H 59 4.316 4.316 4.382 -0.066 18358
123 1 . 1 1 59 59 HIS H H 59 7.866 7.866 7.780 0.086 18358
124 1 . 1 1 60 60 LEU N N 60 116.798 116.798 119.919 -3.121 18358
125 1 . 1 1 60 60 LEU HA H 60 4.291 4.291 4.629 -0.338 18358
126 1 . 1 1 60 60 LEU H H 60 7.762 7.762 8.185 -0.423 18358
stop_
save_