data_18345
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18345
_Entry.PDB_ID 2LR3
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 18345
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 THR N N 2 118.700 118.700 120.132 -1.432 18345
2 1 1 . 1 1 2 2 THR HA H 2 4.847 4.847 4.299 0.548 18345
3 1 1 . 1 1 2 2 THR H H 2 8.842 8.842 8.451 0.391 18345
4 1 1 . 1 1 3 3 CYS N N 3 125.400 125.400 128.263 -2.863 18345
5 1 1 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.786 0.179 18345
6 1 1 . 1 1 3 3 CYS CB C 3 41.700 41.700 29.467 12.233 18345
7 1 1 . 1 1 3 3 CYS H H 3 8.950 8.950 9.104 -0.154 18345
8 1 1 . 1 1 4 4 GLU N N 4 120.200 120.200 127.969 -7.769 18345
9 1 1 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.473 0.097 18345
10 1 1 . 1 1 4 4 GLU H H 4 8.550 8.550 8.656 -0.106 18345
11 1 1 . 1 1 5 5 SER N N 5 116.000 116.000 115.815 0.185 18345
12 1 1 . 1 1 5 5 SER HA H 5 4.660 4.660 4.781 -0.121 18345
13 1 1 . 1 1 5 5 SER H H 5 8.748 8.748 9.011 -0.263 18345
14 1 1 . 1 1 6 6 GLN N N 6 127.200 127.200 120.355 6.845 18345
15 1 1 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.412 -1.054 18345
16 1 1 . 1 1 6 6 GLN H H 6 8.993 8.993 8.344 0.649 18345
17 1 1 . 1 1 7 7 SER N N 7 119.400 119.400 119.607 -0.207 18345
18 1 1 . 1 1 7 7 SER HA H 7 4.291 4.291 4.729 -0.438 18345
19 1 1 . 1 1 7 7 SER H H 7 8.165 8.165 8.379 -0.214 18345
20 1 1 . 1 1 8 8 HIS N N 8 128.400 128.400 127.403 0.997 18345
21 1 1 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.629 0.179 18345
22 1 1 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.054 -0.954 18345
23 1 1 . 1 1 8 8 HIS H H 8 10.500 10.500 8.995 1.505 18345
24 1 1 . 1 1 9 9 LYS N N 9 119.100 119.100 119.723 -0.623 18345
25 1 1 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.183 0.101 18345
26 1 1 . 1 1 9 9 LYS H H 9 8.401 8.401 7.873 0.528 18345
27 1 1 . 1 1 10 10 PHE N N 10 121.700 121.700 122.259 -0.559 18345
28 1 1 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.322 -0.358 18345
29 1 1 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.902 -0.902 18345
30 1 1 . 1 1 10 10 PHE H H 10 8.324 8.324 7.622 0.702 18345
31 1 1 . 1 1 11 11 LYS N N 11 129.000 129.000 127.437 1.563 18345
32 1 1 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.174 0.458 18345
33 1 1 . 1 1 11 11 LYS CB C 11 35.100 35.100 31.228 3.872 18345
34 1 1 . 1 1 11 11 LYS H H 11 7.905 7.905 7.731 0.174 18345
35 1 1 . 1 1 12 12 GLY N N 12 110.000 110.000 113.835 -3.835 18345
36 1 1 . 1 1 12 12 GLY H H 12 8.425 8.425 7.934 0.491 18345
37 1 1 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.641 -0.111 18345
38 1 1 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.891 -0.991 18345
39 1 1 . 1 1 14 14 CYS N N 14 125.200 125.200 118.646 6.554 18345
40 1 1 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.544 0.184 18345
41 1 1 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.545 8.555 18345
42 1 1 . 1 1 14 14 CYS H H 14 8.626 8.626 8.188 0.438 18345
43 1 1 . 1 1 15 15 ALA N N 15 130.100 130.100 128.929 1.171 18345
44 1 1 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.050 0.536 18345
45 1 1 . 1 1 15 15 ALA H H 15 8.735 8.735 8.440 0.295 18345
46 1 1 . 1 1 16 16 SER N N 16 112.400 112.400 110.377 2.023 18345
47 1 1 . 1 1 16 16 SER HA H 16 4.812 4.812 4.790 0.022 18345
48 1 1 . 1 1 16 16 SER H H 16 7.673 7.673 7.898 -0.225 18345
49 1 1 . 1 1 17 17 ASP N N 17 130.800 130.800 126.744 4.056 18345
50 1 1 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.269 0.071 18345
51 1 1 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.654 -0.453 18345
52 1 1 . 1 1 17 17 ASP H H 17 9.211 9.211 9.101 0.110 18345
53 1 1 . 1 1 18 18 HIS N N 18 117.100 117.100 117.325 -0.225 18345
54 1 1 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.268 0.163 18345
55 1 1 . 1 1 18 18 HIS CB C 18 28.100 28.100 29.968 -1.867 18345
56 1 1 . 1 1 18 18 HIS H H 18 8.714 8.714 8.671 0.043 18345
57 1 1 . 1 1 19 19 ASN N N 19 119.300 119.300 118.336 0.964 18345
58 1 1 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.531 0.059 18345
59 1 1 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.690 -0.490 18345
60 1 1 . 1 1 19 19 ASN H H 19 8.001 8.001 7.582 0.419 18345
61 1 1 . 1 1 20 20 CYS N N 20 117.500 117.500 119.639 -2.139 18345
62 1 1 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.652 0.859 18345
63 1 1 . 1 1 20 20 CYS CB C 20 35.400 35.400 24.702 10.698 18345
64 1 1 . 1 1 20 20 CYS H H 20 7.646 7.646 8.047 -0.401 18345
65 1 1 . 1 1 21 21 ALA N N 21 121.700 121.700 123.513 -1.813 18345
66 1 1 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.869 -0.292 18345
67 1 1 . 1 1 21 21 ALA H H 21 8.851 8.851 8.595 0.256 18345
68 1 1 . 1 1 22 22 SER N N 22 112.200 112.200 114.494 -2.294 18345
69 1 1 . 1 1 22 22 SER HA H 22 4.212 4.212 4.090 0.122 18345
70 1 1 . 1 1 22 22 SER H H 22 8.040 8.040 7.827 0.213 18345
71 1 1 . 1 1 23 23 VAL N N 23 123.400 123.400 122.531 0.869 18345
72 1 1 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.630 0.212 18345
73 1 1 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.826 0.174 18345
74 1 1 . 1 1 23 23 VAL H H 23 7.940 7.940 8.206 -0.266 18345
75 1 1 . 1 1 24 24 CYS N N 24 121.400 121.400 118.657 2.743 18345
76 1 1 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.041 0.673 18345
77 1 1 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.490 12.910 18345
78 1 1 . 1 1 24 24 CYS H H 24 9.188 9.188 8.259 0.929 18345
79 1 1 . 1 1 25 25 GLN N N 25 120.500 120.500 117.670 2.830 18345
80 1 1 . 1 1 25 25 GLN CB C 25 31.100 31.100 29.338 1.762 18345
81 1 1 . 1 1 25 25 GLN H H 25 8.414 8.414 8.263 0.151 18345
82 1 1 . 1 1 26 26 THR N N 26 114.500 114.500 110.681 3.819 18345
83 1 1 . 1 1 26 26 THR HA H 26 4.527 4.527 4.142 0.385 18345
84 1 1 . 1 1 26 26 THR H H 26 8.084 8.084 7.933 0.151 18345
85 1 1 . 1 1 27 27 GLU N N 27 122.100 122.100 120.708 1.392 18345
86 1 1 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.263 0.177 18345
87 1 1 . 1 1 27 27 GLU H H 27 7.705 7.705 8.323 -0.618 18345
88 1 1 . 1 1 28 28 ARG N N 28 109.500 109.500 116.600 -7.100 18345
89 1 1 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.330 -0.407 18345
90 1 1 . 1 1 28 28 ARG H H 28 7.817 7.817 7.554 0.263 18345
91 1 1 . 1 1 29 29 PHE N N 29 117.700 117.700 119.629 -1.929 18345
92 1 1 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.832 0.154 18345
93 1 1 . 1 1 29 29 PHE H H 29 7.945 7.945 8.566 -0.621 18345
94 1 1 . 1 1 30 30 SER N N 30 113.100 113.100 117.163 -4.063 18345
95 1 1 . 1 1 30 30 SER HA H 30 4.590 4.590 4.985 -0.395 18345
96 1 1 . 1 1 30 30 SER H H 30 8.660 8.660 7.909 0.751 18345
97 1 1 . 1 1 31 31 GLY N N 31 107.500 107.500 110.448 -2.948 18345
98 1 1 . 1 1 31 31 GLY H H 31 7.746 7.746 8.524 -0.778 18345
99 1 1 . 1 1 32 32 GLY N N 32 107.300 107.300 110.417 -3.117 18345
100 1 1 . 1 1 32 32 GLY H H 32 7.985 7.985 8.117 -0.132 18345
101 1 1 . 1 1 33 33 ARG N N 33 115.400 115.400 119.776 -4.376 18345
102 1 1 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.868 -0.455 18345
103 1 1 . 1 1 33 33 ARG CB C 33 32.800 32.800 35.485 -2.685 18345
104 1 1 . 1 1 33 33 ARG H H 33 8.935 8.935 8.917 0.018 18345
105 1 1 . 1 1 34 34 CYS N N 34 120.200 120.200 118.184 2.016 18345
106 1 1 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.412 0.023 18345
107 1 1 . 1 1 34 34 CYS CB C 34 36.700 36.700 30.193 6.507 18345
108 1 1 . 1 1 34 34 CYS H H 34 8.831 8.831 8.948 -0.117 18345
109 1 1 . 1 1 35 35 ARG N N 35 121.700 121.700 125.301 -3.601 18345
110 1 1 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.125 0.565 18345
111 1 1 . 1 1 35 35 ARG H H 35 9.507 9.507 9.026 0.481 18345
112 1 1 . 1 1 36 36 GLY N N 36 109.200 109.200 115.543 -6.343 18345
113 1 1 . 1 1 36 36 GLY H H 36 8.466 8.466 8.564 -0.098 18345
114 1 1 . 1 1 37 37 PHE N N 37 121.700 121.700 121.409 0.291 18345
115 1 1 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.589 -0.168 18345
116 1 1 . 1 1 37 37 PHE CB C 37 38.600 38.600 40.620 -2.020 18345
117 1 1 . 1 1 37 37 PHE H H 37 8.530 8.530 7.967 0.563 18345
118 1 1 . 1 1 38 38 ARG N N 38 118.500 118.500 117.661 0.839 18345
119 1 1 . 1 1 38 38 ARG HA H 38 3.795 3.795 3.880 -0.085 18345
120 1 1 . 1 1 38 38 ARG H H 38 8.023 8.023 8.556 -0.533 18345
121 1 1 . 1 1 39 39 ARG N N 39 117.500 117.500 119.130 -1.630 18345
122 1 1 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.111 0.051 18345
123 1 1 . 1 1 39 39 ARG H H 39 8.222 8.222 7.950 0.272 18345
124 1 1 . 1 1 40 40 ARG N N 40 122.500 122.500 116.128 6.372 18345
125 1 1 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.523 0.069 18345
126 1 1 . 1 1 40 40 ARG H H 40 8.292 8.292 7.950 0.342 18345
127 1 1 . 1 1 41 41 CYS N N 41 120.100 120.100 124.528 -4.428 18345
128 1 1 . 1 1 41 41 CYS HA H 41 4.717 4.717 5.435 -0.718 18345
129 1 1 . 1 1 41 41 CYS CB C 41 35.200 35.200 27.378 7.822 18345
130 1 1 . 1 1 41 41 CYS H H 41 9.320 9.320 9.051 0.269 18345
131 1 1 . 1 1 42 42 PHE N N 42 130.000 130.000 126.906 3.094 18345
132 1 1 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.232 -0.747 18345
133 1 1 . 1 1 42 42 PHE CB C 42 41.500 41.500 42.795 -1.295 18345
134 1 1 . 1 1 42 42 PHE H H 42 8.910 8.910 9.470 -0.560 18345
135 1 1 . 1 1 43 43 CYS N N 43 120.900 120.900 121.200 -0.300 18345
136 1 1 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.290 0.102 18345
137 1 1 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.687 5.513 18345
138 1 1 . 1 1 43 43 CYS H H 43 8.819 8.819 8.781 0.038 18345
139 1 1 . 1 1 44 44 THR N N 44 115.200 115.200 116.864 -1.664 18345
140 1 1 . 1 1 44 44 THR HA H 44 5.029 5.029 5.669 -0.640 18345
141 1 1 . 1 1 44 44 THR H H 44 8.420 8.420 9.101 -0.681 18345
142 1 1 . 1 1 45 45 THR N N 45 116.900 116.900 116.786 0.114 18345
143 1 1 . 1 1 45 45 THR HA H 45 4.849 4.849 4.768 0.081 18345
144 1 1 . 1 1 45 45 THR H H 45 8.538 8.538 9.123 -0.585 18345
145 1 1 . 1 1 46 46 HIS N N 46 121.800 121.800 118.721 3.079 18345
146 1 1 . 1 1 46 46 HIS HA H 46 5.071 5.071 5.662 -0.591 18345
147 1 1 . 1 1 46 46 HIS CB C 46 28.700 28.700 28.552 0.148 18345
148 1 1 . 1 1 46 46 HIS H H 46 8.548 8.548 8.313 0.235 18345
149 1 2 . 1 1 2 2 THR N N 2 118.700 118.700 120.431 -1.731 18345
150 1 2 . 1 1 2 2 THR HA H 2 4.847 4.847 4.499 0.348 18345
151 1 2 . 1 1 2 2 THR H H 2 8.842 8.842 8.373 0.469 18345
152 1 2 . 1 1 3 3 CYS N N 3 125.400 125.400 127.983 -2.583 18345
153 1 2 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.795 0.170 18345
154 1 2 . 1 1 3 3 CYS CB C 3 41.700 41.700 27.282 14.418 18345
155 1 2 . 1 1 3 3 CYS H H 3 8.950 8.950 8.983 -0.033 18345
156 1 2 . 1 1 4 4 GLU N N 4 120.200 120.200 128.450 -8.250 18345
157 1 2 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.533 0.037 18345
158 1 2 . 1 1 4 4 GLU H H 4 8.550 8.550 8.667 -0.117 18345
159 1 2 . 1 1 5 5 SER N N 5 116.000 116.000 117.323 -1.323 18345
160 1 2 . 1 1 5 5 SER HA H 5 4.660 4.660 4.946 -0.286 18345
161 1 2 . 1 1 5 5 SER H H 5 8.748 8.748 9.092 -0.344 18345
162 1 2 . 1 1 6 6 GLN N N 6 127.200 127.200 118.992 8.208 18345
163 1 2 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.455 -1.097 18345
164 1 2 . 1 1 6 6 GLN H H 6 8.993 8.993 8.358 0.635 18345
165 1 2 . 1 1 7 7 SER N N 7 119.400 119.400 114.875 4.525 18345
166 1 2 . 1 1 7 7 SER HA H 7 4.291 4.291 4.821 -0.530 18345
167 1 2 . 1 1 7 7 SER H H 7 8.165 8.165 8.523 -0.358 18345
168 1 2 . 1 1 8 8 HIS N N 8 128.400 128.400 123.236 5.164 18345
169 1 2 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.901 -0.093 18345
170 1 2 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.813 -1.713 18345
171 1 2 . 1 1 8 8 HIS H H 8 10.500 10.500 8.594 1.906 18345
172 1 2 . 1 1 9 9 LYS N N 9 119.100 119.100 120.375 -1.275 18345
173 1 2 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.191 0.093 18345
174 1 2 . 1 1 9 9 LYS H H 9 8.401 8.401 7.727 0.674 18345
175 1 2 . 1 1 10 10 PHE N N 10 121.700 121.700 122.310 -0.610 18345
176 1 2 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.350 -0.386 18345
177 1 2 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.835 -0.835 18345
178 1 2 . 1 1 10 10 PHE H H 10 8.324 8.324 7.667 0.657 18345
179 1 2 . 1 1 11 11 LYS N N 11 129.000 129.000 127.069 1.931 18345
180 1 2 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.167 0.465 18345
181 1 2 . 1 1 11 11 LYS CB C 11 35.100 35.100 32.186 2.914 18345
182 1 2 . 1 1 11 11 LYS H H 11 7.905 7.905 7.938 -0.033 18345
183 1 2 . 1 1 12 12 GLY N N 12 110.000 110.000 112.019 -2.019 18345
184 1 2 . 1 1 12 12 GLY H H 12 8.425 8.425 8.021 0.404 18345
185 1 2 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.496 0.034 18345
186 1 2 . 1 1 13 13 PRO CB C 13 31.900 31.900 30.381 1.519 18345
187 1 2 . 1 1 14 14 CYS N N 14 125.200 125.200 117.217 7.983 18345
188 1 2 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.227 0.501 18345
189 1 2 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.666 8.434 18345
190 1 2 . 1 1 14 14 CYS H H 14 8.626 8.626 8.584 0.042 18345
191 1 2 . 1 1 15 15 ALA N N 15 130.100 130.100 123.057 7.043 18345
192 1 2 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.106 0.480 18345
193 1 2 . 1 1 15 15 ALA H H 15 8.735 8.735 8.169 0.565 18345
194 1 2 . 1 1 16 16 SER N N 16 112.400 112.400 111.773 0.627 18345
195 1 2 . 1 1 16 16 SER HA H 16 4.812 4.812 4.714 0.098 18345
196 1 2 . 1 1 16 16 SER H H 16 7.673 7.673 8.169 -0.496 18345
197 1 2 . 1 1 17 17 ASP N N 17 130.800 130.800 128.118 2.682 18345
198 1 2 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.223 0.117 18345
199 1 2 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.194 0.006 18345
200 1 2 . 1 1 17 17 ASP H H 17 9.211 9.211 8.884 0.327 18345
201 1 2 . 1 1 18 18 HIS N N 18 117.100 117.100 119.643 -2.543 18345
202 1 2 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.199 0.232 18345
203 1 2 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.247 -2.147 18345
204 1 2 . 1 1 18 18 HIS H H 18 8.714 8.714 8.278 0.436 18345
205 1 2 . 1 1 19 19 ASN N N 19 119.300 119.300 117.965 1.335 18345
206 1 2 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.353 0.237 18345
207 1 2 . 1 1 19 19 ASN CB C 19 38.200 38.200 37.710 0.490 18345
208 1 2 . 1 1 19 19 ASN H H 19 8.001 8.001 8.389 -0.388 18345
209 1 2 . 1 1 20 20 CYS N N 20 117.500 117.500 119.747 -2.247 18345
210 1 2 . 1 1 20 20 CYS HA H 20 4.511 4.511 2.635 1.876 18345
211 1 2 . 1 1 20 20 CYS CB C 20 35.400 35.400 24.848 10.552 18345
212 1 2 . 1 1 20 20 CYS H H 20 7.646 7.646 7.905 -0.259 18345
213 1 2 . 1 1 21 21 ALA N N 21 121.700 121.700 123.068 -1.368 18345
214 1 2 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.767 -0.190 18345
215 1 2 . 1 1 21 21 ALA H H 21 8.851 8.851 8.073 0.778 18345
216 1 2 . 1 1 22 22 SER N N 22 112.200 112.200 114.155 -1.955 18345
217 1 2 . 1 1 22 22 SER HA H 22 4.212 4.212 4.041 0.171 18345
218 1 2 . 1 1 22 22 SER H H 22 8.040 8.040 7.897 0.143 18345
219 1 2 . 1 1 23 23 VAL N N 23 123.400 123.400 122.153 1.247 18345
220 1 2 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.748 0.094 18345
221 1 2 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.367 0.633 18345
222 1 2 . 1 1 23 23 VAL H H 23 7.940 7.940 8.211 -0.271 18345
223 1 2 . 1 1 24 24 CYS N N 24 121.400 121.400 120.268 1.132 18345
224 1 2 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.231 0.483 18345
225 1 2 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.556 12.844 18345
226 1 2 . 1 1 24 24 CYS H H 24 9.188 9.188 8.208 0.980 18345
227 1 2 . 1 1 25 25 GLN N N 25 120.500 120.500 118.834 1.666 18345
228 1 2 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.884 2.216 18345
229 1 2 . 1 1 25 25 GLN H H 25 8.414 8.414 8.321 0.093 18345
230 1 2 . 1 1 26 26 THR N N 26 114.500 114.500 111.659 2.841 18345
231 1 2 . 1 1 26 26 THR HA H 26 4.527 4.527 3.917 0.610 18345
232 1 2 . 1 1 26 26 THR H H 26 8.084 8.084 7.775 0.309 18345
233 1 2 . 1 1 27 27 GLU N N 27 122.100 122.100 121.638 0.462 18345
234 1 2 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.068 0.373 18345
235 1 2 . 1 1 27 27 GLU H H 27 7.705 7.705 8.039 -0.334 18345
236 1 2 . 1 1 28 28 ARG N N 28 109.500 109.500 118.855 -9.355 18345
237 1 2 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.489 -0.566 18345
238 1 2 . 1 1 28 28 ARG H H 28 7.817 7.817 8.211 -0.394 18345
239 1 2 . 1 1 29 29 PHE N N 29 117.700 117.700 123.336 -5.636 18345
240 1 2 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.409 0.577 18345
241 1 2 . 1 1 29 29 PHE H H 29 7.945 7.945 8.747 -0.802 18345
242 1 2 . 1 1 30 30 SER N N 30 113.100 113.100 117.706 -4.606 18345
243 1 2 . 1 1 30 30 SER HA H 30 4.590 4.590 4.868 -0.278 18345
244 1 2 . 1 1 30 30 SER H H 30 8.660 8.660 8.027 0.633 18345
245 1 2 . 1 1 31 31 GLY N N 31 107.500 107.500 110.069 -2.569 18345
246 1 2 . 1 1 31 31 GLY H H 31 7.746 7.746 8.342 -0.596 18345
247 1 2 . 1 1 32 32 GLY N N 32 107.300 107.300 109.693 -2.393 18345
248 1 2 . 1 1 32 32 GLY H H 32 7.985 7.985 8.237 -0.252 18345
249 1 2 . 1 1 33 33 ARG N N 33 115.400 115.400 121.827 -6.427 18345
250 1 2 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.795 -0.382 18345
251 1 2 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.013 -1.213 18345
252 1 2 . 1 1 33 33 ARG H H 33 8.935 8.935 8.830 0.105 18345
253 1 2 . 1 1 34 34 CYS N N 34 120.200 120.200 119.229 0.971 18345
254 1 2 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.388 0.047 18345
255 1 2 . 1 1 34 34 CYS CB C 34 36.700 36.700 29.459 7.241 18345
256 1 2 . 1 1 34 34 CYS H H 34 8.831 8.831 8.532 0.299 18345
257 1 2 . 1 1 35 35 ARG N N 35 121.700 121.700 126.620 -4.920 18345
258 1 2 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.504 0.186 18345
259 1 2 . 1 1 35 35 ARG H H 35 9.507 9.507 8.821 0.686 18345
260 1 2 . 1 1 36 36 GLY N N 36 109.200 109.200 113.720 -4.520 18345
261 1 2 . 1 1 36 36 GLY H H 36 8.466 8.466 8.803 -0.337 18345
262 1 2 . 1 1 37 37 PHE N N 37 121.700 121.700 119.206 2.494 18345
263 1 2 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.510 -0.089 18345
264 1 2 . 1 1 37 37 PHE CB C 37 38.600 38.600 38.776 -0.176 18345
265 1 2 . 1 1 37 37 PHE H H 37 8.530 8.530 7.840 0.690 18345
266 1 2 . 1 1 38 38 ARG N N 38 118.500 118.500 119.611 -1.111 18345
267 1 2 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.271 -0.476 18345
268 1 2 . 1 1 38 38 ARG H H 38 8.023 8.023 8.061 -0.038 18345
269 1 2 . 1 1 39 39 ARG N N 39 117.500 117.500 119.389 -1.889 18345
270 1 2 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.085 0.077 18345
271 1 2 . 1 1 39 39 ARG H H 39 8.222 8.222 7.884 0.338 18345
272 1 2 . 1 1 40 40 ARG N N 40 122.500 122.500 119.474 3.026 18345
273 1 2 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.600 -0.008 18345
274 1 2 . 1 1 40 40 ARG H H 40 8.292 8.292 7.698 0.594 18345
275 1 2 . 1 1 41 41 CYS N N 41 120.100 120.100 123.676 -3.576 18345
276 1 2 . 1 1 41 41 CYS HA H 41 4.717 4.717 5.155 -0.438 18345
277 1 2 . 1 1 41 41 CYS CB C 41 35.200 35.200 25.780 9.420 18345
278 1 2 . 1 1 41 41 CYS H H 41 9.320 9.320 8.996 0.324 18345
279 1 2 . 1 1 42 42 PHE N N 42 130.000 130.000 124.755 5.245 18345
280 1 2 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.145 -0.660 18345
281 1 2 . 1 1 42 42 PHE CB C 42 41.500 41.500 42.639 -1.139 18345
282 1 2 . 1 1 42 42 PHE H H 42 8.910 8.910 9.147 -0.237 18345
283 1 2 . 1 1 43 43 CYS N N 43 120.900 120.900 121.836 -0.936 18345
284 1 2 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.671 -0.279 18345
285 1 2 . 1 1 43 43 CYS CB C 43 36.200 36.200 31.115 5.085 18345
286 1 2 . 1 1 43 43 CYS H H 43 8.819 8.819 9.167 -0.348 18345
287 1 2 . 1 1 44 44 THR N N 44 115.200 115.200 114.361 0.839 18345
288 1 2 . 1 1 44 44 THR HA H 44 5.029 5.029 5.271 -0.242 18345
289 1 2 . 1 1 44 44 THR H H 44 8.420 8.420 9.153 -0.733 18345
290 1 2 . 1 1 45 45 THR N N 45 116.900 116.900 115.378 1.522 18345
291 1 2 . 1 1 45 45 THR HA H 45 4.849 4.849 4.419 0.430 18345
292 1 2 . 1 1 45 45 THR H H 45 8.538 8.538 8.806 -0.268 18345
293 1 2 . 1 1 46 46 HIS N N 46 121.800 121.800 120.734 1.066 18345
294 1 2 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.813 0.258 18345
295 1 2 . 1 1 46 46 HIS CB C 46 28.700 28.700 28.342 0.358 18345
296 1 2 . 1 1 46 46 HIS H H 46 8.548 8.548 8.514 0.034 18345
297 1 3 . 1 1 2 2 THR N N 2 118.700 118.700 119.315 -0.615 18345
298 1 3 . 1 1 2 2 THR HA H 2 4.847 4.847 4.626 0.221 18345
299 1 3 . 1 1 2 2 THR H H 2 8.842 8.842 8.455 0.387 18345
300 1 3 . 1 1 3 3 CYS N N 3 125.400 125.400 127.087 -1.687 18345
301 1 3 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.797 0.168 18345
302 1 3 . 1 1 3 3 CYS CB C 3 41.700 41.700 30.085 11.615 18345
303 1 3 . 1 1 3 3 CYS H H 3 8.950 8.950 9.015 -0.065 18345
304 1 3 . 1 1 4 4 GLU N N 4 120.200 120.200 122.956 -2.756 18345
305 1 3 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.493 0.077 18345
306 1 3 . 1 1 4 4 GLU H H 4 8.550 8.550 8.573 -0.023 18345
307 1 3 . 1 1 5 5 SER N N 5 116.000 116.000 116.537 -0.537 18345
308 1 3 . 1 1 5 5 SER HA H 5 4.660 4.660 4.858 -0.198 18345
309 1 3 . 1 1 5 5 SER H H 5 8.748 8.748 9.135 -0.387 18345
310 1 3 . 1 1 6 6 GLN N N 6 127.200 127.200 120.002 7.198 18345
311 1 3 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.584 -1.226 18345
312 1 3 . 1 1 6 6 GLN H H 6 8.993 8.993 8.485 0.508 18345
313 1 3 . 1 1 7 7 SER N N 7 119.400 119.400 116.031 3.369 18345
314 1 3 . 1 1 7 7 SER HA H 7 4.291 4.291 4.637 -0.346 18345
315 1 3 . 1 1 7 7 SER H H 7 8.165 8.165 8.609 -0.444 18345
316 1 3 . 1 1 8 8 HIS N N 8 128.400 128.400 123.555 4.845 18345
317 1 3 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.806 0.002 18345
318 1 3 . 1 1 8 8 HIS CB C 8 29.100 29.100 29.819 -0.719 18345
319 1 3 . 1 1 8 8 HIS H H 8 10.500 10.500 8.357 2.143 18345
320 1 3 . 1 1 9 9 LYS N N 9 119.100 119.100 119.944 -0.844 18345
321 1 3 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.159 0.125 18345
322 1 3 . 1 1 9 9 LYS H H 9 8.401 8.401 7.637 0.764 18345
323 1 3 . 1 1 10 10 PHE N N 10 121.700 121.700 120.246 1.454 18345
324 1 3 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.412 -0.448 18345
325 1 3 . 1 1 10 10 PHE CB C 10 39.000 39.000 40.045 -1.045 18345
326 1 3 . 1 1 10 10 PHE H H 10 8.324 8.324 7.484 0.840 18345
327 1 3 . 1 1 11 11 LYS N N 11 129.000 129.000 125.715 3.285 18345
328 1 3 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.254 0.378 18345
329 1 3 . 1 1 11 11 LYS CB C 11 35.100 35.100 30.695 4.405 18345
330 1 3 . 1 1 11 11 LYS H H 11 7.905 7.905 7.304 0.601 18345
331 1 3 . 1 1 12 12 GLY N N 12 110.000 110.000 114.499 -4.499 18345
332 1 3 . 1 1 12 12 GLY H H 12 8.425 8.425 8.022 0.403 18345
333 1 3 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.571 -0.041 18345
334 1 3 . 1 1 13 13 PRO CB C 13 31.900 31.900 33.028 -1.128 18345
335 1 3 . 1 1 14 14 CYS N N 14 125.200 125.200 119.105 6.095 18345
336 1 3 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.367 0.361 18345
337 1 3 . 1 1 14 14 CYS CB C 14 33.100 33.100 25.117 7.983 18345
338 1 3 . 1 1 14 14 CYS H H 14 8.626 8.626 8.543 0.083 18345
339 1 3 . 1 1 15 15 ALA N N 15 130.100 130.100 130.380 -0.280 18345
340 1 3 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.400 0.186 18345
341 1 3 . 1 1 15 15 ALA H H 15 8.735 8.735 8.344 0.391 18345
342 1 3 . 1 1 16 16 SER N N 16 112.400 112.400 113.139 -0.739 18345
343 1 3 . 1 1 16 16 SER HA H 16 4.812 4.812 4.813 -0.001 18345
344 1 3 . 1 1 16 16 SER H H 16 7.673 7.673 8.087 -0.414 18345
345 1 3 . 1 1 17 17 ASP N N 17 130.800 130.800 127.205 3.595 18345
346 1 3 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.326 0.014 18345
347 1 3 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.744 -0.544 18345
348 1 3 . 1 1 17 17 ASP H H 17 9.211 9.211 8.981 0.230 18345
349 1 3 . 1 1 18 18 HIS N N 18 117.100 117.100 118.485 -1.385 18345
350 1 3 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.305 0.126 18345
351 1 3 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.011 -1.911 18345
352 1 3 . 1 1 18 18 HIS H H 18 8.714 8.714 8.352 0.362 18345
353 1 3 . 1 1 19 19 ASN N N 19 119.300 119.300 117.335 1.965 18345
354 1 3 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.605 -0.015 18345
355 1 3 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.210 -0.010 18345
356 1 3 . 1 1 19 19 ASN H H 19 8.001 8.001 8.539 -0.538 18345
357 1 3 . 1 1 20 20 CYS N N 20 117.500 117.500 118.909 -1.409 18345
358 1 3 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.246 1.265 18345
359 1 3 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.019 10.381 18345
360 1 3 . 1 1 20 20 CYS H H 20 7.646 7.646 8.027 -0.381 18345
361 1 3 . 1 1 21 21 ALA N N 21 121.700 121.700 122.414 -0.714 18345
362 1 3 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.812 -0.235 18345
363 1 3 . 1 1 21 21 ALA H H 21 8.851 8.851 8.405 0.446 18345
364 1 3 . 1 1 22 22 SER N N 22 112.200 112.200 114.660 -2.460 18345
365 1 3 . 1 1 22 22 SER HA H 22 4.212 4.212 4.098 0.114 18345
366 1 3 . 1 1 22 22 SER H H 22 8.040 8.040 8.063 -0.023 18345
367 1 3 . 1 1 23 23 VAL N N 23 123.400 123.400 122.768 0.632 18345
368 1 3 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.696 0.146 18345
369 1 3 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.461 0.539 18345
370 1 3 . 1 1 23 23 VAL H H 23 7.940 7.940 8.284 -0.344 18345
371 1 3 . 1 1 24 24 CYS N N 24 121.400 121.400 119.940 1.460 18345
372 1 3 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.277 0.437 18345
373 1 3 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.633 12.767 18345
374 1 3 . 1 1 24 24 CYS H H 24 9.188 9.188 8.102 1.086 18345
375 1 3 . 1 1 25 25 GLN N N 25 120.500 120.500 118.413 2.087 18345
376 1 3 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.690 2.410 18345
377 1 3 . 1 1 25 25 GLN H H 25 8.414 8.414 8.442 -0.028 18345
378 1 3 . 1 1 26 26 THR N N 26 114.500 114.500 111.394 3.106 18345
379 1 3 . 1 1 26 26 THR HA H 26 4.527 4.527 3.915 0.612 18345
380 1 3 . 1 1 26 26 THR H H 26 8.084 8.084 7.894 0.190 18345
381 1 3 . 1 1 27 27 GLU N N 27 122.100 122.100 121.593 0.507 18345
382 1 3 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.120 0.321 18345
383 1 3 . 1 1 27 27 GLU H H 27 7.705 7.705 7.957 -0.252 18345
384 1 3 . 1 1 28 28 ARG N N 28 109.500 109.500 117.721 -8.221 18345
385 1 3 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.421 -0.498 18345
386 1 3 . 1 1 28 28 ARG H H 28 7.817 7.817 8.002 -0.185 18345
387 1 3 . 1 1 29 29 PHE N N 29 117.700 117.700 124.821 -7.121 18345
388 1 3 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.385 0.601 18345
389 1 3 . 1 1 29 29 PHE H H 29 7.945 7.945 8.912 -0.967 18345
390 1 3 . 1 1 30 30 SER N N 30 113.100 113.100 119.881 -6.781 18345
391 1 3 . 1 1 30 30 SER HA H 30 4.590 4.590 4.835 -0.245 18345
392 1 3 . 1 1 30 30 SER H H 30 8.660 8.660 8.247 0.413 18345
393 1 3 . 1 1 31 31 GLY N N 31 107.500 107.500 111.833 -4.333 18345
394 1 3 . 1 1 31 31 GLY H H 31 7.746 7.746 8.606 -0.860 18345
395 1 3 . 1 1 32 32 GLY N N 32 107.300 107.300 109.443 -2.143 18345
396 1 3 . 1 1 32 32 GLY H H 32 7.985 7.985 8.326 -0.341 18345
397 1 3 . 1 1 33 33 ARG N N 33 115.400 115.400 124.692 -9.292 18345
398 1 3 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.785 -0.372 18345
399 1 3 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.565 -1.765 18345
400 1 3 . 1 1 33 33 ARG H H 33 8.935 8.935 9.014 -0.079 18345
401 1 3 . 1 1 34 34 CYS N N 34 120.200 120.200 120.960 -0.760 18345
402 1 3 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.662 -0.227 18345
403 1 3 . 1 1 34 34 CYS CB C 34 36.700 36.700 26.789 9.911 18345
404 1 3 . 1 1 34 34 CYS H H 34 8.831 8.831 8.762 0.069 18345
405 1 3 . 1 1 35 35 ARG N N 35 121.700 121.700 126.309 -4.609 18345
406 1 3 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.825 -0.135 18345
407 1 3 . 1 1 35 35 ARG H H 35 9.507 9.507 9.360 0.147 18345
408 1 3 . 1 1 36 36 GLY N N 36 109.200 109.200 112.306 -3.106 18345
409 1 3 . 1 1 36 36 GLY H H 36 8.466 8.466 8.082 0.384 18345
410 1 3 . 1 1 37 37 PHE N N 37 121.700 121.700 120.167 1.533 18345
411 1 3 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.409 0.012 18345
412 1 3 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.499 -0.899 18345
413 1 3 . 1 1 37 37 PHE H H 37 8.530 8.530 8.829 -0.299 18345
414 1 3 . 1 1 38 38 ARG N N 38 118.500 118.500 117.518 0.982 18345
415 1 3 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.340 -0.545 18345
416 1 3 . 1 1 38 38 ARG H H 38 8.023 8.023 8.292 -0.269 18345
417 1 3 . 1 1 39 39 ARG N N 39 117.500 117.500 118.448 -0.948 18345
418 1 3 . 1 1 39 39 ARG HA H 39 4.162 4.162 3.915 0.247 18345
419 1 3 . 1 1 39 39 ARG H H 39 8.222 8.222 7.960 0.263 18345
420 1 3 . 1 1 40 40 ARG N N 40 122.500 122.500 120.186 2.314 18345
421 1 3 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.589 0.003 18345
422 1 3 . 1 1 40 40 ARG H H 40 8.292 8.292 8.280 0.012 18345
423 1 3 . 1 1 41 41 CYS N N 41 120.100 120.100 121.566 -1.466 18345
424 1 3 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.984 -0.267 18345
425 1 3 . 1 1 41 41 CYS CB C 41 35.200 35.200 26.332 8.868 18345
426 1 3 . 1 1 41 41 CYS H H 41 9.320 9.320 8.683 0.637 18345
427 1 3 . 1 1 42 42 PHE N N 42 130.000 130.000 127.282 2.718 18345
428 1 3 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.027 -0.542 18345
429 1 3 . 1 1 42 42 PHE CB C 42 41.500 41.500 42.690 -1.190 18345
430 1 3 . 1 1 42 42 PHE H H 42 8.910 8.910 9.315 -0.405 18345
431 1 3 . 1 1 43 43 CYS N N 43 120.900 120.900 122.103 -1.203 18345
432 1 3 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.826 -0.434 18345
433 1 3 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.770 5.430 18345
434 1 3 . 1 1 43 43 CYS H H 43 8.819 8.819 8.990 -0.171 18345
435 1 3 . 1 1 44 44 THR N N 44 115.200 115.200 116.794 -1.594 18345
436 1 3 . 1 1 44 44 THR HA H 44 5.029 5.029 5.251 -0.222 18345
437 1 3 . 1 1 44 44 THR H H 44 8.420 8.420 8.897 -0.477 18345
438 1 3 . 1 1 45 45 THR N N 45 116.900 116.900 119.037 -2.137 18345
439 1 3 . 1 1 45 45 THR HA H 45 4.849 4.849 4.693 0.156 18345
440 1 3 . 1 1 45 45 THR H H 45 8.538 8.538 8.909 -0.371 18345
441 1 3 . 1 1 46 46 HIS N N 46 121.800 121.800 121.130 0.670 18345
442 1 3 . 1 1 46 46 HIS HA H 46 5.071 5.071 5.198 -0.127 18345
443 1 3 . 1 1 46 46 HIS CB C 46 28.700 28.700 31.269 -2.569 18345
444 1 3 . 1 1 46 46 HIS H H 46 8.548 8.548 8.624 -0.076 18345
445 1 4 . 1 1 2 2 THR N N 2 118.700 118.700 116.066 2.634 18345
446 1 4 . 1 1 2 2 THR HA H 2 4.847 4.847 4.633 0.214 18345
447 1 4 . 1 1 2 2 THR H H 2 8.842 8.842 8.306 0.536 18345
448 1 4 . 1 1 3 3 CYS N N 3 125.400 125.400 124.505 0.895 18345
449 1 4 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.666 0.299 18345
450 1 4 . 1 1 3 3 CYS CB C 3 41.700 41.700 26.200 15.500 18345
451 1 4 . 1 1 3 3 CYS H H 3 8.950 8.950 8.659 0.291 18345
452 1 4 . 1 1 4 4 GLU N N 4 120.200 120.200 127.618 -7.418 18345
453 1 4 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.464 0.106 18345
454 1 4 . 1 1 4 4 GLU H H 4 8.550 8.550 8.580 -0.030 18345
455 1 4 . 1 1 5 5 SER N N 5 116.000 116.000 115.170 0.830 18345
456 1 4 . 1 1 5 5 SER HA H 5 4.660 4.660 4.754 -0.094 18345
457 1 4 . 1 1 5 5 SER H H 5 8.748 8.748 8.701 0.047 18345
458 1 4 . 1 1 6 6 GLN N N 6 127.200 127.200 119.568 7.632 18345
459 1 4 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.356 -0.998 18345
460 1 4 . 1 1 6 6 GLN H H 6 8.993 8.993 8.351 0.642 18345
461 1 4 . 1 1 7 7 SER N N 7 119.400 119.400 119.613 -0.213 18345
462 1 4 . 1 1 7 7 SER HA H 7 4.291 4.291 4.947 -0.656 18345
463 1 4 . 1 1 7 7 SER H H 7 8.165 8.165 8.543 -0.378 18345
464 1 4 . 1 1 8 8 HIS N N 8 128.400 128.400 120.956 7.444 18345
465 1 4 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.871 -0.063 18345
466 1 4 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.350 -1.250 18345
467 1 4 . 1 1 8 8 HIS H H 8 10.500 10.500 8.719 1.781 18345
468 1 4 . 1 1 9 9 LYS N N 9 119.100 119.100 120.530 -1.430 18345
469 1 4 . 1 1 9 9 LYS HA H 9 4.284 4.284 3.972 0.312 18345
470 1 4 . 1 1 9 9 LYS H H 9 8.401 8.401 8.099 0.302 18345
471 1 4 . 1 1 10 10 PHE N N 10 121.700 121.700 120.020 1.680 18345
472 1 4 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.399 -0.435 18345
473 1 4 . 1 1 10 10 PHE CB C 10 39.000 39.000 40.169 -1.169 18345
474 1 4 . 1 1 10 10 PHE H H 10 8.324 8.324 7.942 0.382 18345
475 1 4 . 1 1 11 11 LYS N N 11 129.000 129.000 127.395 1.605 18345
476 1 4 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.162 0.470 18345
477 1 4 . 1 1 11 11 LYS CB C 11 35.100 35.100 32.205 2.895 18345
478 1 4 . 1 1 11 11 LYS H H 11 7.905 7.905 7.585 0.320 18345
479 1 4 . 1 1 12 12 GLY N N 12 110.000 110.000 114.720 -4.720 18345
480 1 4 . 1 1 12 12 GLY H H 12 8.425 8.425 8.137 0.288 18345
481 1 4 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.497 0.033 18345
482 1 4 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.741 -0.841 18345
483 1 4 . 1 1 14 14 CYS N N 14 125.200 125.200 120.531 4.669 18345
484 1 4 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.341 0.387 18345
485 1 4 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.728 8.372 18345
486 1 4 . 1 1 14 14 CYS H H 14 8.626 8.626 8.312 0.314 18345
487 1 4 . 1 1 15 15 ALA N N 15 130.100 130.100 130.982 -0.882 18345
488 1 4 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.308 0.278 18345
489 1 4 . 1 1 15 15 ALA H H 15 8.735 8.735 8.469 0.266 18345
490 1 4 . 1 1 16 16 SER N N 16 112.400 112.400 114.198 -1.798 18345
491 1 4 . 1 1 16 16 SER HA H 16 4.812 4.812 4.651 0.161 18345
492 1 4 . 1 1 16 16 SER H H 16 7.673 7.673 7.894 -0.221 18345
493 1 4 . 1 1 17 17 ASP N N 17 130.800 130.800 130.454 0.346 18345
494 1 4 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.233 0.107 18345
495 1 4 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.496 -0.296 18345
496 1 4 . 1 1 17 17 ASP H H 17 9.211 9.211 8.995 0.216 18345
497 1 4 . 1 1 18 18 HIS N N 18 117.100 117.100 119.810 -2.710 18345
498 1 4 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.178 0.253 18345
499 1 4 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.148 -2.048 18345
500 1 4 . 1 1 18 18 HIS H H 18 8.714 8.714 7.908 0.806 18345
501 1 4 . 1 1 19 19 ASN N N 19 119.300 119.300 117.850 1.450 18345
502 1 4 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.598 -0.008 18345
503 1 4 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.614 -0.414 18345
504 1 4 . 1 1 19 19 ASN H H 19 8.001 8.001 7.843 0.158 18345
505 1 4 . 1 1 20 20 CYS N N 20 117.500 117.500 119.531 -2.031 18345
506 1 4 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.746 0.765 18345
507 1 4 . 1 1 20 20 CYS CB C 20 35.400 35.400 24.892 10.508 18345
508 1 4 . 1 1 20 20 CYS H H 20 7.646 7.646 8.190 -0.544 18345
509 1 4 . 1 1 21 21 ALA N N 21 121.700 121.700 123.027 -1.327 18345
510 1 4 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.878 -0.301 18345
511 1 4 . 1 1 21 21 ALA H H 21 8.851 8.851 8.244 0.607 18345
512 1 4 . 1 1 22 22 SER N N 22 112.200 112.200 114.233 -2.033 18345
513 1 4 . 1 1 22 22 SER HA H 22 4.212 4.212 4.159 0.053 18345
514 1 4 . 1 1 22 22 SER H H 22 8.040 8.040 7.903 0.137 18345
515 1 4 . 1 1 23 23 VAL N N 23 123.400 123.400 122.586 0.814 18345
516 1 4 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.736 0.106 18345
517 1 4 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.517 0.483 18345
518 1 4 . 1 1 23 23 VAL H H 23 7.940 7.940 8.332 -0.392 18345
519 1 4 . 1 1 24 24 CYS N N 24 121.400 121.400 119.738 1.662 18345
520 1 4 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.356 0.358 18345
521 1 4 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.634 12.765 18345
522 1 4 . 1 1 24 24 CYS H H 24 9.188 9.188 8.197 0.991 18345
523 1 4 . 1 1 25 25 GLN N N 25 120.500 120.500 118.337 2.163 18345
524 1 4 . 1 1 25 25 GLN CB C 25 31.100 31.100 29.037 2.063 18345
525 1 4 . 1 1 25 25 GLN H H 25 8.414 8.414 8.363 0.051 18345
526 1 4 . 1 1 26 26 THR N N 26 114.500 114.500 110.442 4.058 18345
527 1 4 . 1 1 26 26 THR HA H 26 4.527 4.527 4.169 0.358 18345
528 1 4 . 1 1 26 26 THR H H 26 8.084 8.084 7.937 0.147 18345
529 1 4 . 1 1 27 27 GLU N N 27 122.100 122.100 121.664 0.436 18345
530 1 4 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.131 0.310 18345
531 1 4 . 1 1 27 27 GLU H H 27 7.705 7.705 8.105 -0.400 18345
532 1 4 . 1 1 28 28 ARG N N 28 109.500 109.500 114.219 -4.719 18345
533 1 4 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.349 -0.426 18345
534 1 4 . 1 1 28 28 ARG H H 28 7.817 7.817 7.717 0.100 18345
535 1 4 . 1 1 29 29 PHE N N 29 117.700 117.700 118.464 -0.764 18345
536 1 4 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.467 0.519 18345
537 1 4 . 1 1 29 29 PHE H H 29 7.945 7.945 7.711 0.234 18345
538 1 4 . 1 1 30 30 SER N N 30 113.100 113.100 117.270 -4.170 18345
539 1 4 . 1 1 30 30 SER HA H 30 4.590 4.590 4.530 0.060 18345
540 1 4 . 1 1 30 30 SER H H 30 8.660 8.660 8.842 -0.182 18345
541 1 4 . 1 1 31 31 GLY N N 31 107.500 107.500 107.913 -0.413 18345
542 1 4 . 1 1 31 31 GLY H H 31 7.746 7.746 7.998 -0.252 18345
543 1 4 . 1 1 32 32 GLY N N 32 107.300 107.300 107.990 -0.690 18345
544 1 4 . 1 1 32 32 GLY H H 32 7.985 7.985 8.071 -0.086 18345
545 1 4 . 1 1 33 33 ARG N N 33 115.400 115.400 122.364 -6.964 18345
546 1 4 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.698 -0.285 18345
547 1 4 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.240 -1.440 18345
548 1 4 . 1 1 33 33 ARG H H 33 8.935 8.935 8.882 0.053 18345
549 1 4 . 1 1 34 34 CYS N N 34 120.200 120.200 118.702 1.498 18345
550 1 4 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.498 -0.063 18345
551 1 4 . 1 1 34 34 CYS CB C 34 36.700 36.700 28.899 7.801 18345
552 1 4 . 1 1 34 34 CYS H H 34 8.831 8.831 8.601 0.230 18345
553 1 4 . 1 1 35 35 ARG N N 35 121.700 121.700 124.500 -2.800 18345
554 1 4 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.237 0.453 18345
555 1 4 . 1 1 35 35 ARG H H 35 9.507 9.507 8.723 0.784 18345
556 1 4 . 1 1 36 36 GLY N N 36 109.200 109.200 116.211 -7.011 18345
557 1 4 . 1 1 36 36 GLY H H 36 8.466 8.466 8.339 0.127 18345
558 1 4 . 1 1 37 37 PHE N N 37 121.700 121.700 120.344 1.356 18345
559 1 4 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.696 -0.275 18345
560 1 4 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.514 -0.914 18345
561 1 4 . 1 1 37 37 PHE H H 37 8.530 8.530 8.233 0.297 18345
562 1 4 . 1 1 38 38 ARG N N 38 118.500 118.500 120.839 -2.339 18345
563 1 4 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.248 -0.453 18345
564 1 4 . 1 1 38 38 ARG H H 38 8.023 8.023 8.152 -0.129 18345
565 1 4 . 1 1 39 39 ARG N N 39 117.500 117.500 113.296 4.204 18345
566 1 4 . 1 1 39 39 ARG HA H 39 4.162 4.162 3.944 0.218 18345
567 1 4 . 1 1 39 39 ARG H H 39 8.222 8.222 7.716 0.506 18345
568 1 4 . 1 1 40 40 ARG N N 40 122.500 122.500 118.969 3.531 18345
569 1 4 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.647 -0.055 18345
570 1 4 . 1 1 40 40 ARG H H 40 8.292 8.292 8.081 0.211 18345
571 1 4 . 1 1 41 41 CYS N N 41 120.100 120.100 124.532 -4.432 18345
572 1 4 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.689 0.028 18345
573 1 4 . 1 1 41 41 CYS CB C 41 35.200 35.200 25.842 9.358 18345
574 1 4 . 1 1 41 41 CYS H H 41 9.320 9.320 8.969 0.351 18345
575 1 4 . 1 1 42 42 PHE N N 42 130.000 130.000 125.108 4.892 18345
576 1 4 . 1 1 42 42 PHE HA H 42 4.485 4.485 4.801 -0.316 18345
577 1 4 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.319 -1.819 18345
578 1 4 . 1 1 42 42 PHE H H 42 8.910 8.910 9.197 -0.287 18345
579 1 4 . 1 1 43 43 CYS N N 43 120.900 120.900 118.491 2.409 18345
580 1 4 . 1 1 43 43 CYS HA H 43 5.392 5.392 4.956 0.436 18345
581 1 4 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.408 5.792 18345
582 1 4 . 1 1 43 43 CYS H H 43 8.819 8.819 8.991 -0.172 18345
583 1 4 . 1 1 44 44 THR N N 44 115.200 115.200 115.609 -0.409 18345
584 1 4 . 1 1 44 44 THR HA H 44 5.029 5.029 5.046 -0.017 18345
585 1 4 . 1 1 44 44 THR H H 44 8.420 8.420 8.854 -0.433 18345
586 1 4 . 1 1 45 45 THR N N 45 116.900 116.900 116.648 0.252 18345
587 1 4 . 1 1 45 45 THR HA H 45 4.849 4.849 4.660 0.189 18345
588 1 4 . 1 1 45 45 THR H H 45 8.538 8.538 8.875 -0.337 18345
589 1 4 . 1 1 46 46 HIS N N 46 121.800 121.800 119.491 2.309 18345
590 1 4 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.911 0.160 18345
591 1 4 . 1 1 46 46 HIS CB C 46 28.700 28.700 31.221 -2.521 18345
592 1 4 . 1 1 46 46 HIS H H 46 8.548 8.548 8.493 0.055 18345
593 1 5 . 1 1 2 2 THR N N 2 118.700 118.700 116.403 2.297 18345
594 1 5 . 1 1 2 2 THR HA H 2 4.847 4.847 4.643 0.204 18345
595 1 5 . 1 1 2 2 THR H H 2 8.842 8.842 8.006 0.836 18345
596 1 5 . 1 1 3 3 CYS N N 3 125.400 125.400 124.126 1.274 18345
597 1 5 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.829 0.136 18345
598 1 5 . 1 1 3 3 CYS CB C 3 41.700 41.700 29.578 12.122 18345
599 1 5 . 1 1 3 3 CYS H H 3 8.950 8.950 9.232 -0.282 18345
600 1 5 . 1 1 4 4 GLU N N 4 120.200 120.200 123.442 -3.242 18345
601 1 5 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.543 0.027 18345
602 1 5 . 1 1 4 4 GLU H H 4 8.550 8.550 8.534 0.016 18345
603 1 5 . 1 1 5 5 SER N N 5 116.000 116.000 116.092 -0.092 18345
604 1 5 . 1 1 5 5 SER HA H 5 4.660 4.660 4.846 -0.186 18345
605 1 5 . 1 1 5 5 SER H H 5 8.748 8.748 8.984 -0.236 18345
606 1 5 . 1 1 6 6 GLN N N 6 127.200 127.200 120.384 6.816 18345
607 1 5 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.542 -1.184 18345
608 1 5 . 1 1 6 6 GLN H H 6 8.993 8.993 8.689 0.304 18345
609 1 5 . 1 1 7 7 SER N N 7 119.400 119.400 121.364 -1.964 18345
610 1 5 . 1 1 7 7 SER HA H 7 4.291 4.291 4.709 -0.418 18345
611 1 5 . 1 1 7 7 SER H H 7 8.165 8.165 8.568 -0.403 18345
612 1 5 . 1 1 8 8 HIS N N 8 128.400 128.400 120.181 8.219 18345
613 1 5 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.848 -0.040 18345
614 1 5 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.180 -1.080 18345
615 1 5 . 1 1 8 8 HIS H H 8 10.500 10.500 8.211 2.289 18345
616 1 5 . 1 1 9 9 LYS N N 9 119.100 119.100 121.082 -1.982 18345
617 1 5 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.136 0.148 18345
618 1 5 . 1 1 9 9 LYS H H 9 8.401 8.401 7.937 0.464 18345
619 1 5 . 1 1 10 10 PHE N N 10 121.700 121.700 120.244 1.456 18345
620 1 5 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.413 -0.449 18345
621 1 5 . 1 1 10 10 PHE CB C 10 39.000 39.000 40.058 -1.058 18345
622 1 5 . 1 1 10 10 PHE H H 10 8.324 8.324 8.030 0.294 18345
623 1 5 . 1 1 11 11 LYS N N 11 129.000 129.000 126.623 2.377 18345
624 1 5 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.134 0.498 18345
625 1 5 . 1 1 11 11 LYS CB C 11 35.100 35.100 31.436 3.664 18345
626 1 5 . 1 1 11 11 LYS H H 11 7.905 7.905 7.726 0.179 18345
627 1 5 . 1 1 12 12 GLY N N 12 110.000 110.000 112.138 -2.138 18345
628 1 5 . 1 1 12 12 GLY H H 12 8.425 8.425 7.799 0.626 18345
629 1 5 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.487 0.043 18345
630 1 5 . 1 1 13 13 PRO CB C 13 31.900 31.900 29.777 2.123 18345
631 1 5 . 1 1 14 14 CYS N N 14 125.200 125.200 117.685 7.515 18345
632 1 5 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.161 0.567 18345
633 1 5 . 1 1 14 14 CYS CB C 14 33.100 33.100 26.895 6.205 18345
634 1 5 . 1 1 14 14 CYS H H 14 8.626 8.626 8.395 0.231 18345
635 1 5 . 1 1 15 15 ALA N N 15 130.100 130.100 130.755 -0.655 18345
636 1 5 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.290 0.296 18345
637 1 5 . 1 1 15 15 ALA H H 15 8.735 8.735 8.934 -0.199 18345
638 1 5 . 1 1 16 16 SER N N 16 112.400 112.400 114.217 -1.817 18345
639 1 5 . 1 1 16 16 SER HA H 16 4.812 4.812 4.717 0.095 18345
640 1 5 . 1 1 16 16 SER H H 16 7.673 7.673 7.851 -0.178 18345
641 1 5 . 1 1 17 17 ASP N N 17 130.800 130.800 128.230 2.570 18345
642 1 5 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.144 0.196 18345
643 1 5 . 1 1 17 17 ASP CB C 17 40.200 40.200 41.079 -0.879 18345
644 1 5 . 1 1 17 17 ASP H H 17 9.211 9.211 9.123 0.088 18345
645 1 5 . 1 1 18 18 HIS N N 18 117.100 117.100 117.462 -0.362 18345
646 1 5 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.201 0.230 18345
647 1 5 . 1 1 18 18 HIS CB C 18 28.100 28.100 29.851 -1.751 18345
648 1 5 . 1 1 18 18 HIS H H 18 8.714 8.714 8.487 0.227 18345
649 1 5 . 1 1 19 19 ASN N N 19 119.300 119.300 117.861 1.439 18345
650 1 5 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.301 0.289 18345
651 1 5 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.064 0.136 18345
652 1 5 . 1 1 19 19 ASN H H 19 8.001 8.001 7.603 0.398 18345
653 1 5 . 1 1 20 20 CYS N N 20 117.500 117.500 119.467 -1.967 18345
654 1 5 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.704 0.807 18345
655 1 5 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.019 10.381 18345
656 1 5 . 1 1 20 20 CYS H H 20 7.646 7.646 7.975 -0.329 18345
657 1 5 . 1 1 21 21 ALA N N 21 121.700 121.700 123.132 -1.432 18345
658 1 5 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.864 -0.287 18345
659 1 5 . 1 1 21 21 ALA H H 21 8.851 8.851 8.446 0.405 18345
660 1 5 . 1 1 22 22 SER N N 22 112.200 112.200 113.689 -1.489 18345
661 1 5 . 1 1 22 22 SER HA H 22 4.212 4.212 4.099 0.113 18345
662 1 5 . 1 1 22 22 SER H H 22 8.040 8.040 7.951 0.089 18345
663 1 5 . 1 1 23 23 VAL N N 23 123.400 123.400 122.923 0.477 18345
664 1 5 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.670 0.172 18345
665 1 5 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.508 0.492 18345
666 1 5 . 1 1 23 23 VAL H H 23 7.940 7.940 8.115 -0.175 18345
667 1 5 . 1 1 24 24 CYS N N 24 121.400 121.400 119.362 2.038 18345
668 1 5 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.131 0.583 18345
669 1 5 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.672 12.727 18345
670 1 5 . 1 1 24 24 CYS H H 24 9.188 9.188 8.067 1.121 18345
671 1 5 . 1 1 25 25 GLN N N 25 120.500 120.500 117.897 2.603 18345
672 1 5 . 1 1 25 25 GLN CB C 25 31.100 31.100 29.036 2.064 18345
673 1 5 . 1 1 25 25 GLN H H 25 8.414 8.414 8.205 0.209 18345
674 1 5 . 1 1 26 26 THR N N 26 114.500 114.500 110.316 4.184 18345
675 1 5 . 1 1 26 26 THR HA H 26 4.527 4.527 4.075 0.452 18345
676 1 5 . 1 1 26 26 THR H H 26 8.084 8.084 7.778 0.306 18345
677 1 5 . 1 1 27 27 GLU N N 27 122.100 122.100 120.844 1.256 18345
678 1 5 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.197 0.244 18345
679 1 5 . 1 1 27 27 GLU H H 27 7.705 7.705 8.131 -0.426 18345
680 1 5 . 1 1 28 28 ARG N N 28 109.500 109.500 116.459 -6.959 18345
681 1 5 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.319 -0.396 18345
682 1 5 . 1 1 28 28 ARG H H 28 7.817 7.817 7.693 0.124 18345
683 1 5 . 1 1 29 29 PHE N N 29 117.700 117.700 118.929 -1.229 18345
684 1 5 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.697 0.289 18345
685 1 5 . 1 1 29 29 PHE H H 29 7.945 7.945 8.583 -0.638 18345
686 1 5 . 1 1 30 30 SER N N 30 113.100 113.100 118.803 -5.703 18345
687 1 5 . 1 1 30 30 SER HA H 30 4.590 4.590 4.914 -0.324 18345
688 1 5 . 1 1 30 30 SER H H 30 8.660 8.660 8.212 0.448 18345
689 1 5 . 1 1 31 31 GLY N N 31 107.500 107.500 112.282 -4.782 18345
690 1 5 . 1 1 31 31 GLY H H 31 7.746 7.746 8.492 -0.746 18345
691 1 5 . 1 1 32 32 GLY N N 32 107.300 107.300 111.182 -3.882 18345
692 1 5 . 1 1 32 32 GLY H H 32 7.985 7.985 8.265 -0.280 18345
693 1 5 . 1 1 33 33 ARG N N 33 115.400 115.400 119.530 -4.130 18345
694 1 5 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.770 -0.357 18345
695 1 5 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.991 -2.191 18345
696 1 5 . 1 1 33 33 ARG H H 33 8.935 8.935 8.806 0.129 18345
697 1 5 . 1 1 34 34 CYS N N 34 120.200 120.200 121.119 -0.919 18345
698 1 5 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.400 0.035 18345
699 1 5 . 1 1 34 34 CYS CB C 34 36.700 36.700 26.249 10.451 18345
700 1 5 . 1 1 34 34 CYS H H 34 8.831 8.831 8.744 0.087 18345
701 1 5 . 1 1 35 35 ARG N N 35 121.700 121.700 128.948 -7.248 18345
702 1 5 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.593 0.097 18345
703 1 5 . 1 1 35 35 ARG H H 35 9.507 9.507 8.867 0.640 18345
704 1 5 . 1 1 36 36 GLY N N 36 109.200 109.200 109.529 -0.329 18345
705 1 5 . 1 1 36 36 GLY H H 36 8.466 8.466 7.950 0.516 18345
706 1 5 . 1 1 37 37 PHE N N 37 121.700 121.700 120.074 1.626 18345
707 1 5 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.585 -0.164 18345
708 1 5 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.292 -0.692 18345
709 1 5 . 1 1 37 37 PHE H H 37 8.530 8.530 8.084 0.446 18345
710 1 5 . 1 1 38 38 ARG N N 38 118.500 118.500 118.824 -0.324 18345
711 1 5 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.520 -0.725 18345
712 1 5 . 1 1 38 38 ARG H H 38 8.023 8.023 8.164 -0.141 18345
713 1 5 . 1 1 39 39 ARG N N 39 117.500 117.500 119.570 -2.070 18345
714 1 5 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.623 -0.461 18345
715 1 5 . 1 1 39 39 ARG H H 39 8.222 8.222 8.264 -0.042 18345
716 1 5 . 1 1 40 40 ARG N N 40 122.500 122.500 120.257 2.243 18345
717 1 5 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.596 -0.004 18345
718 1 5 . 1 1 40 40 ARG H H 40 8.292 8.292 8.230 0.062 18345
719 1 5 . 1 1 41 41 CYS N N 41 120.100 120.100 119.028 1.072 18345
720 1 5 . 1 1 41 41 CYS HA H 41 4.717 4.717 5.531 -0.814 18345
721 1 5 . 1 1 41 41 CYS CB C 41 35.200 35.200 28.614 6.586 18345
722 1 5 . 1 1 41 41 CYS H H 41 9.320 9.320 8.508 0.812 18345
723 1 5 . 1 1 42 42 PHE N N 42 130.000 130.000 125.839 4.161 18345
724 1 5 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.384 -0.899 18345
725 1 5 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.690 -2.190 18345
726 1 5 . 1 1 42 42 PHE H H 42 8.910 8.910 9.020 -0.110 18345
727 1 5 . 1 1 43 43 CYS N N 43 120.900 120.900 121.074 -0.174 18345
728 1 5 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.582 -0.190 18345
729 1 5 . 1 1 43 43 CYS CB C 43 36.200 36.200 31.415 4.785 18345
730 1 5 . 1 1 43 43 CYS H H 43 8.819 8.819 8.925 -0.106 18345
731 1 5 . 1 1 44 44 THR N N 44 115.200 115.200 115.580 -0.380 18345
732 1 5 . 1 1 44 44 THR HA H 44 5.029 5.029 5.415 -0.386 18345
733 1 5 . 1 1 44 44 THR H H 44 8.420 8.420 8.950 -0.530 18345
734 1 5 . 1 1 45 45 THR N N 45 116.900 116.900 117.678 -0.778 18345
735 1 5 . 1 1 45 45 THR HA H 45 4.849 4.849 4.822 0.027 18345
736 1 5 . 1 1 45 45 THR H H 45 8.538 8.538 8.932 -0.394 18345
737 1 5 . 1 1 46 46 HIS N N 46 121.800 121.800 122.710 -0.910 18345
738 1 5 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.716 0.355 18345
739 1 5 . 1 1 46 46 HIS CB C 46 28.700 28.700 30.194 -1.494 18345
740 1 5 . 1 1 46 46 HIS H H 46 8.548 8.548 8.607 -0.059 18345
741 1 6 . 1 1 2 2 THR N N 2 118.700 118.700 117.439 1.261 18345
742 1 6 . 1 1 2 2 THR HA H 2 4.847 4.847 4.683 0.164 18345
743 1 6 . 1 1 2 2 THR H H 2 8.842 8.842 8.368 0.474 18345
744 1 6 . 1 1 3 3 CYS N N 3 125.400 125.400 126.179 -0.779 18345
745 1 6 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.946 0.019 18345
746 1 6 . 1 1 3 3 CYS CB C 3 41.700 41.700 31.424 10.276 18345
747 1 6 . 1 1 3 3 CYS H H 3 8.950 8.950 9.079 -0.129 18345
748 1 6 . 1 1 4 4 GLU N N 4 120.200 120.200 122.137 -1.937 18345
749 1 6 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.400 0.170 18345
750 1 6 . 1 1 4 4 GLU H H 4 8.550 8.550 8.596 -0.046 18345
751 1 6 . 1 1 5 5 SER N N 5 116.000 116.000 114.373 1.627 18345
752 1 6 . 1 1 5 5 SER HA H 5 4.660 4.660 4.889 -0.229 18345
753 1 6 . 1 1 5 5 SER H H 5 8.748 8.748 9.071 -0.323 18345
754 1 6 . 1 1 6 6 GLN N N 6 127.200 127.200 120.391 6.809 18345
755 1 6 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.311 -0.953 18345
756 1 6 . 1 1 6 6 GLN H H 6 8.993 8.993 8.471 0.522 18345
757 1 6 . 1 1 7 7 SER N N 7 119.400 119.400 119.331 0.069 18345
758 1 6 . 1 1 7 7 SER HA H 7 4.291 4.291 4.580 -0.289 18345
759 1 6 . 1 1 7 7 SER H H 7 8.165 8.165 8.421 -0.256 18345
760 1 6 . 1 1 8 8 HIS N N 8 128.400 128.400 124.602 3.798 18345
761 1 6 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.929 -0.121 18345
762 1 6 . 1 1 8 8 HIS CB C 8 29.100 29.100 29.918 -0.818 18345
763 1 6 . 1 1 8 8 HIS H H 8 10.500 10.500 8.262 2.238 18345
764 1 6 . 1 1 9 9 LYS N N 9 119.100 119.100 120.541 -1.441 18345
765 1 6 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.269 0.015 18345
766 1 6 . 1 1 9 9 LYS H H 9 8.401 8.401 7.902 0.499 18345
767 1 6 . 1 1 10 10 PHE N N 10 121.700 121.700 122.520 -0.820 18345
768 1 6 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.315 -0.351 18345
769 1 6 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.426 -0.426 18345
770 1 6 . 1 1 10 10 PHE H H 10 8.324 8.324 7.592 0.732 18345
771 1 6 . 1 1 11 11 LYS N N 11 129.000 129.000 127.228 1.772 18345
772 1 6 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.391 0.241 18345
773 1 6 . 1 1 11 11 LYS CB C 11 35.100 35.100 34.330 0.770 18345
774 1 6 . 1 1 11 11 LYS H H 11 7.905 7.905 7.622 0.283 18345
775 1 6 . 1 1 12 12 GLY N N 12 110.000 110.000 111.278 -1.278 18345
776 1 6 . 1 1 12 12 GLY H H 12 8.425 8.425 8.185 0.240 18345
777 1 6 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.644 -0.114 18345
778 1 6 . 1 1 13 13 PRO CB C 13 31.900 31.900 31.654 0.246 18345
779 1 6 . 1 1 14 14 CYS N N 14 125.200 125.200 125.936 -0.736 18345
780 1 6 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.710 0.018 18345
781 1 6 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.893 8.207 18345
782 1 6 . 1 1 14 14 CYS H H 14 8.626 8.626 9.130 -0.504 18345
783 1 6 . 1 1 15 15 ALA N N 15 130.100 130.100 127.939 2.161 18345
784 1 6 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.449 0.137 18345
785 1 6 . 1 1 15 15 ALA H H 15 8.735 8.735 8.457 0.278 18345
786 1 6 . 1 1 16 16 SER N N 16 112.400 112.400 117.691 -5.291 18345
787 1 6 . 1 1 16 16 SER HA H 16 4.812 4.812 4.559 0.253 18345
788 1 6 . 1 1 16 16 SER H H 16 7.673 7.673 8.258 -0.585 18345
789 1 6 . 1 1 17 17 ASP N N 17 130.800 130.800 124.166 6.634 18345
790 1 6 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.178 0.162 18345
791 1 6 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.478 -0.279 18345
792 1 6 . 1 1 17 17 ASP H H 17 9.211 9.211 8.156 1.055 18345
793 1 6 . 1 1 18 18 HIS N N 18 117.100 117.100 118.832 -1.732 18345
794 1 6 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.219 0.212 18345
795 1 6 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.040 -1.940 18345
796 1 6 . 1 1 18 18 HIS H H 18 8.714 8.714 8.470 0.244 18345
797 1 6 . 1 1 19 19 ASN N N 19 119.300 119.300 117.830 1.470 18345
798 1 6 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.551 0.039 18345
799 1 6 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.163 0.037 18345
800 1 6 . 1 1 19 19 ASN H H 19 8.001 8.001 7.608 0.393 18345
801 1 6 . 1 1 20 20 CYS N N 20 117.500 117.500 119.216 -1.716 18345
802 1 6 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.686 0.825 18345
803 1 6 . 1 1 20 20 CYS CB C 20 35.400 35.400 24.674 10.726 18345
804 1 6 . 1 1 20 20 CYS H H 20 7.646 7.646 7.807 -0.161 18345
805 1 6 . 1 1 21 21 ALA N N 21 121.700 121.700 123.255 -1.555 18345
806 1 6 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.808 -0.231 18345
807 1 6 . 1 1 21 21 ALA H H 21 8.851 8.851 8.322 0.529 18345
808 1 6 . 1 1 22 22 SER N N 22 112.200 112.200 114.293 -2.093 18345
809 1 6 . 1 1 22 22 SER HA H 22 4.212 4.212 4.067 0.145 18345
810 1 6 . 1 1 22 22 SER H H 22 8.040 8.040 8.010 0.030 18345
811 1 6 . 1 1 23 23 VAL N N 23 123.400 123.400 122.462 0.938 18345
812 1 6 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.675 0.167 18345
813 1 6 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.542 0.458 18345
814 1 6 . 1 1 23 23 VAL H H 23 7.940 7.940 8.140 -0.200 18345
815 1 6 . 1 1 24 24 CYS N N 24 121.400 121.400 120.018 1.382 18345
816 1 6 . 1 1 24 24 CYS HA H 24 4.714 4.714 3.941 0.773 18345
817 1 6 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.596 12.803 18345
818 1 6 . 1 1 24 24 CYS H H 24 9.188 9.188 8.376 0.812 18345
819 1 6 . 1 1 25 25 GLN N N 25 120.500 120.500 117.630 2.870 18345
820 1 6 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.976 2.124 18345
821 1 6 . 1 1 25 25 GLN H H 25 8.414 8.414 8.356 0.058 18345
822 1 6 . 1 1 26 26 THR N N 26 114.500 114.500 110.984 3.516 18345
823 1 6 . 1 1 26 26 THR HA H 26 4.527 4.527 4.144 0.383 18345
824 1 6 . 1 1 26 26 THR H H 26 8.084 8.084 7.985 0.099 18345
825 1 6 . 1 1 27 27 GLU N N 27 122.100 122.100 120.612 1.488 18345
826 1 6 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.177 0.264 18345
827 1 6 . 1 1 27 27 GLU H H 27 7.705 7.705 8.040 -0.335 18345
828 1 6 . 1 1 28 28 ARG N N 28 109.500 109.500 117.133 -7.633 18345
829 1 6 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.458 -0.535 18345
830 1 6 . 1 1 28 28 ARG H H 28 7.817 7.817 7.994 -0.177 18345
831 1 6 . 1 1 29 29 PHE N N 29 117.700 117.700 120.016 -2.316 18345
832 1 6 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.566 0.420 18345
833 1 6 . 1 1 29 29 PHE H H 29 7.945 7.945 8.701 -0.756 18345
834 1 6 . 1 1 30 30 SER N N 30 113.100 113.100 116.984 -3.884 18345
835 1 6 . 1 1 30 30 SER HA H 30 4.590 4.590 4.970 -0.380 18345
836 1 6 . 1 1 30 30 SER H H 30 8.660 8.660 7.876 0.784 18345
837 1 6 . 1 1 31 31 GLY N N 31 107.500 107.500 110.328 -2.828 18345
838 1 6 . 1 1 31 31 GLY H H 31 7.746 7.746 8.510 -0.764 18345
839 1 6 . 1 1 32 32 GLY N N 32 107.300 107.300 108.323 -1.023 18345
840 1 6 . 1 1 32 32 GLY H H 32 7.985 7.985 8.187 -0.202 18345
841 1 6 . 1 1 33 33 ARG N N 33 115.400 115.400 120.250 -4.850 18345
842 1 6 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.770 -0.357 18345
843 1 6 . 1 1 33 33 ARG CB C 33 32.800 32.800 33.564 -0.764 18345
844 1 6 . 1 1 33 33 ARG H H 33 8.935 8.935 8.729 0.206 18345
845 1 6 . 1 1 34 34 CYS N N 34 120.200 120.200 122.630 -2.430 18345
846 1 6 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.172 0.263 18345
847 1 6 . 1 1 34 34 CYS CB C 34 36.700 36.700 28.124 8.576 18345
848 1 6 . 1 1 34 34 CYS H H 34 8.831 8.831 8.696 0.135 18345
849 1 6 . 1 1 35 35 ARG N N 35 121.700 121.700 127.922 -6.222 18345
850 1 6 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.382 0.308 18345
851 1 6 . 1 1 35 35 ARG H H 35 9.507 9.507 8.918 0.589 18345
852 1 6 . 1 1 36 36 GLY N N 36 109.200 109.200 114.229 -5.029 18345
853 1 6 . 1 1 36 36 GLY H H 36 8.466 8.466 8.673 -0.207 18345
854 1 6 . 1 1 37 37 PHE N N 37 121.700 121.700 123.375 -1.675 18345
855 1 6 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.523 -0.102 18345
856 1 6 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.235 -0.635 18345
857 1 6 . 1 1 37 37 PHE H H 37 8.530 8.530 8.131 0.399 18345
858 1 6 . 1 1 38 38 ARG N N 38 118.500 118.500 120.443 -1.943 18345
859 1 6 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.530 -0.735 18345
860 1 6 . 1 1 38 38 ARG H H 38 8.023 8.023 8.701 -0.678 18345
861 1 6 . 1 1 39 39 ARG N N 39 117.500 117.500 117.826 -0.326 18345
862 1 6 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.548 -0.386 18345
863 1 6 . 1 1 39 39 ARG H H 39 8.222 8.222 7.943 0.279 18345
864 1 6 . 1 1 40 40 ARG N N 40 122.500 122.500 124.696 -2.196 18345
865 1 6 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.615 -0.023 18345
866 1 6 . 1 1 40 40 ARG H H 40 8.292 8.292 8.575 -0.283 18345
867 1 6 . 1 1 41 41 CYS N N 41 120.100 120.100 123.958 -3.858 18345
868 1 6 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.974 -0.257 18345
869 1 6 . 1 1 41 41 CYS CB C 41 35.200 35.200 28.683 6.517 18345
870 1 6 . 1 1 41 41 CYS H H 41 9.320 9.320 8.950 0.370 18345
871 1 6 . 1 1 42 42 PHE N N 42 130.000 130.000 123.199 6.801 18345
872 1 6 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.008 -0.523 18345
873 1 6 . 1 1 42 42 PHE CB C 42 41.500 41.500 44.086 -2.586 18345
874 1 6 . 1 1 42 42 PHE H H 42 8.910 8.910 9.166 -0.256 18345
875 1 6 . 1 1 43 43 CYS N N 43 120.900 120.900 120.147 0.753 18345
876 1 6 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.743 -0.351 18345
877 1 6 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.695 5.505 18345
878 1 6 . 1 1 43 43 CYS H H 43 8.819 8.819 8.923 -0.104 18345
879 1 6 . 1 1 44 44 THR N N 44 115.200 115.200 120.848 -5.648 18345
880 1 6 . 1 1 44 44 THR HA H 44 5.029 5.029 5.270 -0.241 18345
881 1 6 . 1 1 44 44 THR H H 44 8.420 8.420 9.156 -0.736 18345
882 1 6 . 1 1 45 45 THR N N 45 116.900 116.900 116.582 0.318 18345
883 1 6 . 1 1 45 45 THR HA H 45 4.849 4.849 4.793 0.056 18345
884 1 6 . 1 1 45 45 THR H H 45 8.538 8.538 9.178 -0.640 18345
885 1 6 . 1 1 46 46 HIS N N 46 121.800 121.800 121.418 0.382 18345
886 1 6 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.782 0.289 18345
887 1 6 . 1 1 46 46 HIS CB C 46 28.700 28.700 30.638 -1.938 18345
888 1 6 . 1 1 46 46 HIS H H 46 8.548 8.548 8.638 -0.090 18345
889 1 7 . 1 1 2 2 THR N N 2 118.700 118.700 120.300 -1.600 18345
890 1 7 . 1 1 2 2 THR HA H 2 4.847 4.847 5.063 -0.216 18345
891 1 7 . 1 1 2 2 THR H H 2 8.842 8.842 8.113 0.729 18345
892 1 7 . 1 1 3 3 CYS N N 3 125.400 125.400 124.132 1.268 18345
893 1 7 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.773 0.192 18345
894 1 7 . 1 1 3 3 CYS CB C 3 41.700 41.700 29.859 11.841 18345
895 1 7 . 1 1 3 3 CYS H H 3 8.950 8.950 9.142 -0.192 18345
896 1 7 . 1 1 4 4 GLU N N 4 120.200 120.200 124.837 -4.637 18345
897 1 7 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.481 0.089 18345
898 1 7 . 1 1 4 4 GLU H H 4 8.550 8.550 8.772 -0.222 18345
899 1 7 . 1 1 5 5 SER N N 5 116.000 116.000 119.960 -3.960 18345
900 1 7 . 1 1 5 5 SER HA H 5 4.660 4.660 4.894 -0.234 18345
901 1 7 . 1 1 5 5 SER H H 5 8.748 8.748 8.919 -0.171 18345
902 1 7 . 1 1 6 6 GLN N N 6 127.200 127.200 119.037 8.163 18345
903 1 7 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.283 -0.925 18345
904 1 7 . 1 1 6 6 GLN H H 6 8.993 8.993 8.390 0.603 18345
905 1 7 . 1 1 7 7 SER N N 7 119.400 119.400 118.260 1.140 18345
906 1 7 . 1 1 7 7 SER HA H 7 4.291 4.291 4.642 -0.351 18345
907 1 7 . 1 1 7 7 SER H H 7 8.165 8.165 8.456 -0.291 18345
908 1 7 . 1 1 8 8 HIS N N 8 128.400 128.400 120.772 7.628 18345
909 1 7 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.859 -0.051 18345
910 1 7 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.625 -1.526 18345
911 1 7 . 1 1 8 8 HIS H H 8 10.500 10.500 8.285 2.215 18345
912 1 7 . 1 1 9 9 LYS N N 9 119.100 119.100 119.745 -0.645 18345
913 1 7 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.267 0.017 18345
914 1 7 . 1 1 9 9 LYS H H 9 8.401 8.401 8.206 0.195 18345
915 1 7 . 1 1 10 10 PHE N N 10 121.700 121.700 120.238 1.462 18345
916 1 7 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.466 -0.502 18345
917 1 7 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.924 -0.924 18345
918 1 7 . 1 1 10 10 PHE H H 10 8.324 8.324 7.652 0.672 18345
919 1 7 . 1 1 11 11 LYS N N 11 129.000 129.000 124.735 4.265 18345
920 1 7 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.386 0.246 18345
921 1 7 . 1 1 11 11 LYS CB C 11 35.100 35.100 33.207 1.893 18345
922 1 7 . 1 1 11 11 LYS H H 11 7.905 7.905 7.531 0.374 18345
923 1 7 . 1 1 12 12 GLY N N 12 110.000 110.000 113.061 -3.061 18345
924 1 7 . 1 1 12 12 GLY H H 12 8.425 8.425 8.244 0.181 18345
925 1 7 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.563 -0.033 18345
926 1 7 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.771 -0.871 18345
927 1 7 . 1 1 14 14 CYS N N 14 125.200 125.200 120.184 5.016 18345
928 1 7 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.588 0.140 18345
929 1 7 . 1 1 14 14 CYS CB C 14 33.100 33.100 25.132 7.968 18345
930 1 7 . 1 1 14 14 CYS H H 14 8.626 8.626 8.294 0.332 18345
931 1 7 . 1 1 15 15 ALA N N 15 130.100 130.100 130.414 -0.314 18345
932 1 7 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.189 0.397 18345
933 1 7 . 1 1 15 15 ALA H H 15 8.735 8.735 8.651 0.084 18345
934 1 7 . 1 1 16 16 SER N N 16 112.400 112.400 110.544 1.856 18345
935 1 7 . 1 1 16 16 SER HA H 16 4.812 4.812 4.463 0.349 18345
936 1 7 . 1 1 16 16 SER H H 16 7.673 7.673 7.716 -0.043 18345
937 1 7 . 1 1 17 17 ASP N N 17 130.800 130.800 129.372 1.428 18345
938 1 7 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.272 0.068 18345
939 1 7 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.512 -0.312 18345
940 1 7 . 1 1 17 17 ASP H H 17 9.211 9.211 8.870 0.341 18345
941 1 7 . 1 1 18 18 HIS N N 18 117.100 117.100 119.753 -2.653 18345
942 1 7 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.227 0.204 18345
943 1 7 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.387 -2.288 18345
944 1 7 . 1 1 18 18 HIS H H 18 8.714 8.714 7.674 1.040 18345
945 1 7 . 1 1 19 19 ASN N N 19 119.300 119.300 118.487 0.813 18345
946 1 7 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.505 0.085 18345
947 1 7 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.141 0.059 18345
948 1 7 . 1 1 19 19 ASN H H 19 8.001 8.001 7.598 0.403 18345
949 1 7 . 1 1 20 20 CYS N N 20 117.500 117.500 118.908 -1.408 18345
950 1 7 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.409 1.102 18345
951 1 7 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.155 10.245 18345
952 1 7 . 1 1 20 20 CYS H H 20 7.646 7.646 8.011 -0.365 18345
953 1 7 . 1 1 21 21 ALA N N 21 121.700 121.700 122.874 -1.174 18345
954 1 7 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.888 -0.311 18345
955 1 7 . 1 1 21 21 ALA H H 21 8.851 8.851 8.266 0.585 18345
956 1 7 . 1 1 22 22 SER N N 22 112.200 112.200 114.806 -2.606 18345
957 1 7 . 1 1 22 22 SER HA H 22 4.212 4.212 4.187 0.025 18345
958 1 7 . 1 1 22 22 SER H H 22 8.040 8.040 8.010 0.030 18345
959 1 7 . 1 1 23 23 VAL N N 23 123.400 123.400 122.287 1.113 18345
960 1 7 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.750 0.092 18345
961 1 7 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.479 0.521 18345
962 1 7 . 1 1 23 23 VAL H H 23 7.940 7.940 8.161 -0.221 18345
963 1 7 . 1 1 24 24 CYS N N 24 121.400 121.400 119.795 1.605 18345
964 1 7 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.225 0.489 18345
965 1 7 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.427 12.973 18345
966 1 7 . 1 1 24 24 CYS H H 24 9.188 9.188 8.260 0.928 18345
967 1 7 . 1 1 25 25 GLN N N 25 120.500 120.500 117.831 2.669 18345
968 1 7 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.787 2.313 18345
969 1 7 . 1 1 25 25 GLN H H 25 8.414 8.414 8.477 -0.063 18345
970 1 7 . 1 1 26 26 THR N N 26 114.500 114.500 110.343 4.157 18345
971 1 7 . 1 1 26 26 THR HA H 26 4.527 4.527 4.133 0.394 18345
972 1 7 . 1 1 26 26 THR H H 26 8.084 8.084 7.829 0.255 18345
973 1 7 . 1 1 27 27 GLU N N 27 122.100 122.100 121.653 0.447 18345
974 1 7 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.016 0.425 18345
975 1 7 . 1 1 27 27 GLU H H 27 7.705 7.705 8.035 -0.330 18345
976 1 7 . 1 1 28 28 ARG N N 28 109.500 109.500 116.622 -7.122 18345
977 1 7 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.012 -0.089 18345
978 1 7 . 1 1 28 28 ARG H H 28 7.817 7.817 7.438 0.379 18345
979 1 7 . 1 1 29 29 PHE N N 29 117.700 117.700 119.725 -2.025 18345
980 1 7 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.809 0.177 18345
981 1 7 . 1 1 29 29 PHE H H 29 7.945 7.945 8.323 -0.378 18345
982 1 7 . 1 1 30 30 SER N N 30 113.100 113.100 117.404 -4.304 18345
983 1 7 . 1 1 30 30 SER HA H 30 4.590 4.590 4.945 -0.355 18345
984 1 7 . 1 1 30 30 SER H H 30 8.660 8.660 8.195 0.465 18345
985 1 7 . 1 1 31 31 GLY N N 31 107.500 107.500 110.949 -3.449 18345
986 1 7 . 1 1 31 31 GLY H H 31 7.746 7.746 8.623 -0.877 18345
987 1 7 . 1 1 32 32 GLY N N 32 107.300 107.300 109.872 -2.572 18345
988 1 7 . 1 1 32 32 GLY H H 32 7.985 7.985 8.390 -0.405 18345
989 1 7 . 1 1 33 33 ARG N N 33 115.400 115.400 120.960 -5.560 18345
990 1 7 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.645 -0.232 18345
991 1 7 . 1 1 33 33 ARG CB C 33 32.800 32.800 35.337 -2.537 18345
992 1 7 . 1 1 33 33 ARG H H 33 8.935 8.935 8.997 -0.062 18345
993 1 7 . 1 1 34 34 CYS N N 34 120.200 120.200 118.069 2.131 18345
994 1 7 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.242 0.193 18345
995 1 7 . 1 1 34 34 CYS CB C 34 36.700 36.700 29.556 7.144 18345
996 1 7 . 1 1 34 34 CYS H H 34 8.831 8.831 8.557 0.274 18345
997 1 7 . 1 1 35 35 ARG N N 35 121.700 121.700 121.791 -0.091 18345
998 1 7 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.481 0.209 18345
999 1 7 . 1 1 35 35 ARG H H 35 9.507 9.507 9.310 0.197 18345
1000 1 7 . 1 1 36 36 GLY N N 36 109.200 109.200 107.474 1.726 18345
1001 1 7 . 1 1 36 36 GLY H H 36 8.466 8.466 7.616 0.850 18345
1002 1 7 . 1 1 37 37 PHE N N 37 121.700 121.700 123.853 -2.153 18345
1003 1 7 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.316 0.105 18345
1004 1 7 . 1 1 37 37 PHE CB C 37 38.600 38.600 38.061 0.539 18345
1005 1 7 . 1 1 37 37 PHE H H 37 8.530 8.530 8.563 -0.033 18345
1006 1 7 . 1 1 38 38 ARG N N 38 118.500 118.500 117.221 1.279 18345
1007 1 7 . 1 1 38 38 ARG HA H 38 3.795 3.795 3.962 -0.167 18345
1008 1 7 . 1 1 38 38 ARG H H 38 8.023 8.023 8.399 -0.376 18345
1009 1 7 . 1 1 39 39 ARG N N 39 117.500 117.500 119.090 -1.590 18345
1010 1 7 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.511 -0.349 18345
1011 1 7 . 1 1 39 39 ARG H H 39 8.222 8.222 7.786 0.436 18345
1012 1 7 . 1 1 40 40 ARG N N 40 122.500 122.500 119.643 2.857 18345
1013 1 7 . 1 1 40 40 ARG HA H 40 4.592 4.592 3.902 0.690 18345
1014 1 7 . 1 1 40 40 ARG H H 40 8.292 8.292 8.638 -0.346 18345
1015 1 7 . 1 1 41 41 CYS N N 41 120.100 120.100 122.304 -2.204 18345
1016 1 7 . 1 1 41 41 CYS HA H 41 4.717 4.717 5.034 -0.317 18345
1017 1 7 . 1 1 41 41 CYS CB C 41 35.200 35.200 28.072 7.128 18345
1018 1 7 . 1 1 41 41 CYS H H 41 9.320 9.320 8.681 0.639 18345
1019 1 7 . 1 1 42 42 PHE N N 42 130.000 130.000 126.138 3.862 18345
1020 1 7 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.023 -0.538 18345
1021 1 7 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.909 -2.409 18345
1022 1 7 . 1 1 42 42 PHE H H 42 8.910 8.910 9.092 -0.182 18345
1023 1 7 . 1 1 43 43 CYS N N 43 120.900 120.900 120.455 0.445 18345
1024 1 7 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.758 -0.366 18345
1025 1 7 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.833 5.367 18345
1026 1 7 . 1 1 43 43 CYS H H 43 8.819 8.819 9.016 -0.197 18345
1027 1 7 . 1 1 44 44 THR N N 44 115.200 115.200 117.089 -1.889 18345
1028 1 7 . 1 1 44 44 THR HA H 44 5.029 5.029 5.259 -0.230 18345
1029 1 7 . 1 1 44 44 THR H H 44 8.420 8.420 9.162 -0.742 18345
1030 1 7 . 1 1 45 45 THR N N 45 116.900 116.900 117.351 -0.451 18345
1031 1 7 . 1 1 45 45 THR HA H 45 4.849 4.849 4.725 0.124 18345
1032 1 7 . 1 1 45 45 THR H H 45 8.538 8.538 8.902 -0.364 18345
1033 1 7 . 1 1 46 46 HIS N N 46 121.800 121.800 119.952 1.848 18345
1034 1 7 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.702 0.369 18345
1035 1 7 . 1 1 46 46 HIS CB C 46 28.700 28.700 29.102 -0.402 18345
1036 1 7 . 1 1 46 46 HIS H H 46 8.548 8.548 8.336 0.212 18345
1037 1 8 . 1 1 2 2 THR N N 2 118.700 118.700 119.276 -0.576 18345
1038 1 8 . 1 1 2 2 THR HA H 2 4.847 4.847 4.898 -0.051 18345
1039 1 8 . 1 1 2 2 THR H H 2 8.842 8.842 7.882 0.960 18345
1040 1 8 . 1 1 3 3 CYS N N 3 125.400 125.400 127.126 -1.726 18345
1041 1 8 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.788 0.177 18345
1042 1 8 . 1 1 3 3 CYS CB C 3 41.700 41.700 30.184 11.516 18345
1043 1 8 . 1 1 3 3 CYS H H 3 8.950 8.950 9.084 -0.134 18345
1044 1 8 . 1 1 4 4 GLU N N 4 120.200 120.200 124.264 -4.064 18345
1045 1 8 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.555 0.015 18345
1046 1 8 . 1 1 4 4 GLU H H 4 8.550 8.550 8.775 -0.225 18345
1047 1 8 . 1 1 5 5 SER N N 5 116.000 116.000 119.647 -3.647 18345
1048 1 8 . 1 1 5 5 SER HA H 5 4.660 4.660 4.748 -0.088 18345
1049 1 8 . 1 1 5 5 SER H H 5 8.748 8.748 8.864 -0.116 18345
1050 1 8 . 1 1 6 6 GLN N N 6 127.200 127.200 119.145 8.055 18345
1051 1 8 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.105 -0.747 18345
1052 1 8 . 1 1 6 6 GLN H H 6 8.993 8.993 8.330 0.663 18345
1053 1 8 . 1 1 7 7 SER N N 7 119.400 119.400 118.922 0.478 18345
1054 1 8 . 1 1 7 7 SER HA H 7 4.291 4.291 4.552 -0.261 18345
1055 1 8 . 1 1 7 7 SER H H 7 8.165 8.165 8.298 -0.133 18345
1056 1 8 . 1 1 8 8 HIS N N 8 128.400 128.400 122.440 5.960 18345
1057 1 8 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.824 -0.016 18345
1058 1 8 . 1 1 8 8 HIS CB C 8 29.100 29.100 29.282 -0.182 18345
1059 1 8 . 1 1 8 8 HIS H H 8 10.500 10.500 8.371 2.129 18345
1060 1 8 . 1 1 9 9 LYS N N 9 119.100 119.100 119.330 -0.230 18345
1061 1 8 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.371 -0.087 18345
1062 1 8 . 1 1 9 9 LYS H H 9 8.401 8.401 7.502 0.899 18345
1063 1 8 . 1 1 10 10 PHE N N 10 121.700 121.700 120.831 0.869 18345
1064 1 8 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.553 -0.589 18345
1065 1 8 . 1 1 10 10 PHE CB C 10 39.000 39.000 41.028 -2.028 18345
1066 1 8 . 1 1 10 10 PHE H H 10 8.324 8.324 7.728 0.596 18345
1067 1 8 . 1 1 11 11 LYS N N 11 129.000 129.000 122.601 6.399 18345
1068 1 8 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.136 0.496 18345
1069 1 8 . 1 1 11 11 LYS CB C 11 35.100 35.100 31.311 3.788 18345
1070 1 8 . 1 1 11 11 LYS H H 11 7.905 7.905 7.213 0.692 18345
1071 1 8 . 1 1 12 12 GLY N N 12 110.000 110.000 114.900 -4.900 18345
1072 1 8 . 1 1 12 12 GLY H H 12 8.425 8.425 8.022 0.403 18345
1073 1 8 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.430 0.100 18345
1074 1 8 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.516 -0.616 18345
1075 1 8 . 1 1 14 14 CYS N N 14 125.200 125.200 111.603 13.597 18345
1076 1 8 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.850 -0.122 18345
1077 1 8 . 1 1 14 14 CYS CB C 14 33.100 33.100 30.074 3.026 18345
1078 1 8 . 1 1 14 14 CYS H H 14 8.626 8.626 7.745 0.881 18345
1079 1 8 . 1 1 15 15 ALA N N 15 130.100 130.100 124.128 5.972 18345
1080 1 8 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.753 -0.167 18345
1081 1 8 . 1 1 15 15 ALA H H 15 8.735 8.735 8.806 -0.071 18345
1082 1 8 . 1 1 16 16 SER N N 16 112.400 112.400 112.003 0.397 18345
1083 1 8 . 1 1 16 16 SER HA H 16 4.812 4.812 4.592 0.220 18345
1084 1 8 . 1 1 16 16 SER H H 16 7.673 7.673 7.870 -0.197 18345
1085 1 8 . 1 1 17 17 ASP N N 17 130.800 130.800 127.693 3.107 18345
1086 1 8 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.242 0.098 18345
1087 1 8 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.758 -0.558 18345
1088 1 8 . 1 1 17 17 ASP H H 17 9.211 9.211 8.889 0.322 18345
1089 1 8 . 1 1 18 18 HIS N N 18 117.100 117.100 119.362 -2.262 18345
1090 1 8 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.123 0.308 18345
1091 1 8 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.256 -2.156 18345
1092 1 8 . 1 1 18 18 HIS H H 18 8.714 8.714 7.895 0.819 18345
1093 1 8 . 1 1 19 19 ASN N N 19 119.300 119.300 118.334 0.966 18345
1094 1 8 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.379 0.211 18345
1095 1 8 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.331 -0.131 18345
1096 1 8 . 1 1 19 19 ASN H H 19 8.001 8.001 8.111 -0.110 18345
1097 1 8 . 1 1 20 20 CYS N N 20 117.500 117.500 118.966 -1.466 18345
1098 1 8 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.687 0.824 18345
1099 1 8 . 1 1 20 20 CYS CB C 20 35.400 35.400 24.914 10.486 18345
1100 1 8 . 1 1 20 20 CYS H H 20 7.646 7.646 8.227 -0.581 18345
1101 1 8 . 1 1 21 21 ALA N N 21 121.700 121.700 123.176 -1.476 18345
1102 1 8 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.930 -0.353 18345
1103 1 8 . 1 1 21 21 ALA H H 21 8.851 8.851 8.178 0.673 18345
1104 1 8 . 1 1 22 22 SER N N 22 112.200 112.200 114.516 -2.316 18345
1105 1 8 . 1 1 22 22 SER HA H 22 4.212 4.212 3.968 0.244 18345
1106 1 8 . 1 1 22 22 SER H H 22 8.040 8.040 7.852 0.188 18345
1107 1 8 . 1 1 23 23 VAL N N 23 123.400 123.400 121.938 1.462 18345
1108 1 8 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.744 0.098 18345
1109 1 8 . 1 1 23 23 VAL CB C 23 32.000 32.000 30.867 1.133 18345
1110 1 8 . 1 1 23 23 VAL H H 23 7.940 7.940 8.374 -0.434 18345
1111 1 8 . 1 1 24 24 CYS N N 24 121.400 121.400 119.974 1.426 18345
1112 1 8 . 1 1 24 24 CYS HA H 24 4.714 4.714 3.944 0.770 18345
1113 1 8 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.831 12.569 18345
1114 1 8 . 1 1 24 24 CYS H H 24 9.188 9.188 8.258 0.930 18345
1115 1 8 . 1 1 25 25 GLN N N 25 120.500 120.500 118.121 2.379 18345
1116 1 8 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.928 2.172 18345
1117 1 8 . 1 1 25 25 GLN H H 25 8.414 8.414 8.536 -0.122 18345
1118 1 8 . 1 1 26 26 THR N N 26 114.500 114.500 110.381 4.119 18345
1119 1 8 . 1 1 26 26 THR HA H 26 4.527 4.527 4.118 0.409 18345
1120 1 8 . 1 1 26 26 THR H H 26 8.084 8.084 7.899 0.185 18345
1121 1 8 . 1 1 27 27 GLU N N 27 122.100 122.100 120.492 1.608 18345
1122 1 8 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.277 0.164 18345
1123 1 8 . 1 1 27 27 GLU H H 27 7.705 7.705 7.864 -0.159 18345
1124 1 8 . 1 1 28 28 ARG N N 28 109.500 109.500 116.985 -7.485 18345
1125 1 8 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.178 -0.255 18345
1126 1 8 . 1 1 28 28 ARG H H 28 7.817 7.817 7.958 -0.141 18345
1127 1 8 . 1 1 29 29 PHE N N 29 117.700 117.700 121.787 -4.087 18345
1128 1 8 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.436 0.550 18345
1129 1 8 . 1 1 29 29 PHE H H 29 7.945 7.945 8.621 -0.676 18345
1130 1 8 . 1 1 30 30 SER N N 30 113.100 113.100 117.066 -3.966 18345
1131 1 8 . 1 1 30 30 SER HA H 30 4.590 4.590 4.696 -0.106 18345
1132 1 8 . 1 1 30 30 SER H H 30 8.660 8.660 8.114 0.546 18345
1133 1 8 . 1 1 31 31 GLY N N 31 107.500 107.500 111.091 -3.591 18345
1134 1 8 . 1 1 31 31 GLY H H 31 7.746 7.746 8.521 -0.775 18345
1135 1 8 . 1 1 32 32 GLY N N 32 107.300 107.300 106.263 1.037 18345
1136 1 8 . 1 1 32 32 GLY H H 32 7.985 7.985 8.279 -0.294 18345
1137 1 8 . 1 1 33 33 ARG N N 33 115.400 115.400 115.648 -0.248 18345
1138 1 8 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.682 -0.269 18345
1139 1 8 . 1 1 33 33 ARG CB C 33 32.800 32.800 32.911 -0.111 18345
1140 1 8 . 1 1 33 33 ARG H H 33 8.935 8.935 8.756 0.179 18345
1141 1 8 . 1 1 34 34 CYS N N 34 120.200 120.200 120.115 0.085 18345
1142 1 8 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.647 -0.212 18345
1143 1 8 . 1 1 34 34 CYS CB C 34 36.700 36.700 27.785 8.915 18345
1144 1 8 . 1 1 34 34 CYS H H 34 8.831 8.831 9.084 -0.253 18345
1145 1 8 . 1 1 35 35 ARG N N 35 121.700 121.700 125.640 -3.940 18345
1146 1 8 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.684 0.006 18345
1147 1 8 . 1 1 35 35 ARG H H 35 9.507 9.507 9.314 0.193 18345
1148 1 8 . 1 1 36 36 GLY N N 36 109.200 109.200 109.986 -0.786 18345
1149 1 8 . 1 1 36 36 GLY H H 36 8.466 8.466 7.824 0.642 18345
1150 1 8 . 1 1 37 37 PHE N N 37 121.700 121.700 119.357 2.343 18345
1151 1 8 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.352 0.069 18345
1152 1 8 . 1 1 37 37 PHE CB C 37 38.600 38.600 38.829 -0.229 18345
1153 1 8 . 1 1 37 37 PHE H H 37 8.530 8.530 8.080 0.450 18345
1154 1 8 . 1 1 38 38 ARG N N 38 118.500 118.500 119.107 -0.607 18345
1155 1 8 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.268 -0.473 18345
1156 1 8 . 1 1 38 38 ARG H H 38 8.023 8.023 8.355 -0.332 18345
1157 1 8 . 1 1 39 39 ARG N N 39 117.500 117.500 117.212 0.288 18345
1158 1 8 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.039 0.123 18345
1159 1 8 . 1 1 39 39 ARG H H 39 8.222 8.222 7.877 0.345 18345
1160 1 8 . 1 1 40 40 ARG N N 40 122.500 122.500 119.056 3.444 18345
1161 1 8 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.753 -0.161 18345
1162 1 8 . 1 1 40 40 ARG H H 40 8.292 8.292 8.362 -0.070 18345
1163 1 8 . 1 1 41 41 CYS N N 41 120.100 120.100 122.482 -2.382 18345
1164 1 8 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.998 -0.281 18345
1165 1 8 . 1 1 41 41 CYS CB C 41 35.200 35.200 25.976 9.224 18345
1166 1 8 . 1 1 41 41 CYS H H 41 9.320 9.320 8.356 0.964 18345
1167 1 8 . 1 1 42 42 PHE N N 42 130.000 130.000 127.438 2.562 18345
1168 1 8 . 1 1 42 42 PHE HA H 42 4.485 4.485 4.969 -0.484 18345
1169 1 8 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.167 -1.667 18345
1170 1 8 . 1 1 42 42 PHE H H 42 8.910 8.910 9.132 -0.222 18345
1171 1 8 . 1 1 43 43 CYS N N 43 120.900 120.900 120.081 0.819 18345
1172 1 8 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.257 0.135 18345
1173 1 8 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.758 5.442 18345
1174 1 8 . 1 1 43 43 CYS H H 43 8.819 8.819 8.720 0.099 18345
1175 1 8 . 1 1 44 44 THR N N 44 115.200 115.200 117.617 -2.417 18345
1176 1 8 . 1 1 44 44 THR HA H 44 5.029 5.029 5.366 -0.337 18345
1177 1 8 . 1 1 44 44 THR H H 44 8.420 8.420 8.865 -0.445 18345
1178 1 8 . 1 1 45 45 THR N N 45 116.900 116.900 118.558 -1.658 18345
1179 1 8 . 1 1 45 45 THR HA H 45 4.849 4.849 4.786 0.063 18345
1180 1 8 . 1 1 45 45 THR H H 45 8.538 8.538 9.116 -0.578 18345
1181 1 8 . 1 1 46 46 HIS N N 46 121.800 121.800 122.298 -0.498 18345
1182 1 8 . 1 1 46 46 HIS HA H 46 5.071 5.071 5.229 -0.158 18345
1183 1 8 . 1 1 46 46 HIS CB C 46 28.700 28.700 30.386 -1.686 18345
1184 1 8 . 1 1 46 46 HIS H H 46 8.548 8.548 8.650 -0.102 18345
1185 1 9 . 1 1 2 2 THR N N 2 118.700 118.700 122.340 -3.640 18345
1186 1 9 . 1 1 2 2 THR HA H 2 4.847 4.847 5.223 -0.376 18345
1187 1 9 . 1 1 2 2 THR H H 2 8.842 8.842 8.395 0.447 18345
1188 1 9 . 1 1 3 3 CYS N N 3 125.400 125.400 126.024 -0.624 18345
1189 1 9 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.942 0.023 18345
1190 1 9 . 1 1 3 3 CYS CB C 3 41.700 41.700 31.015 10.685 18345
1191 1 9 . 1 1 3 3 CYS H H 3 8.950 8.950 9.118 -0.168 18345
1192 1 9 . 1 1 4 4 GLU N N 4 120.200 120.200 121.687 -1.487 18345
1193 1 9 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.722 -0.152 18345
1194 1 9 . 1 1 4 4 GLU H H 4 8.550 8.550 8.653 -0.103 18345
1195 1 9 . 1 1 5 5 SER N N 5 116.000 116.000 116.990 -0.990 18345
1196 1 9 . 1 1 5 5 SER HA H 5 4.660 4.660 4.787 -0.127 18345
1197 1 9 . 1 1 5 5 SER H H 5 8.748 8.748 8.584 0.164 18345
1198 1 9 . 1 1 6 6 GLN N N 6 127.200 127.200 120.759 6.441 18345
1199 1 9 . 1 1 6 6 GLN HA H 6 3.358 3.358 3.906 -0.548 18345
1200 1 9 . 1 1 6 6 GLN H H 6 8.993 8.993 8.323 0.670 18345
1201 1 9 . 1 1 7 7 SER N N 7 119.400 119.400 121.443 -2.043 18345
1202 1 9 . 1 1 7 7 SER HA H 7 4.291 4.291 4.808 -0.517 18345
1203 1 9 . 1 1 7 7 SER H H 7 8.165 8.165 8.694 -0.529 18345
1204 1 9 . 1 1 8 8 HIS N N 8 128.400 128.400 126.174 2.226 18345
1205 1 9 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.546 0.262 18345
1206 1 9 . 1 1 8 8 HIS CB C 8 29.100 29.100 29.996 -0.896 18345
1207 1 9 . 1 1 8 8 HIS H H 8 10.500 10.500 8.958 1.542 18345
1208 1 9 . 1 1 9 9 LYS N N 9 119.100 119.100 119.364 -0.264 18345
1209 1 9 . 1 1 9 9 LYS HA H 9 4.284 4.284 3.992 0.292 18345
1210 1 9 . 1 1 9 9 LYS H H 9 8.401 8.401 8.168 0.233 18345
1211 1 9 . 1 1 10 10 PHE N N 10 121.700 121.700 121.162 0.538 18345
1212 1 9 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.396 -0.432 18345
1213 1 9 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.959 -0.959 18345
1214 1 9 . 1 1 10 10 PHE H H 10 8.324 8.324 7.575 0.749 18345
1215 1 9 . 1 1 11 11 LYS N N 11 129.000 129.000 127.809 1.191 18345
1216 1 9 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.265 0.367 18345
1217 1 9 . 1 1 11 11 LYS CB C 11 35.100 35.100 31.993 3.107 18345
1218 1 9 . 1 1 11 11 LYS H H 11 7.905 7.905 7.959 -0.054 18345
1219 1 9 . 1 1 12 12 GLY N N 12 110.000 110.000 113.539 -3.539 18345
1220 1 9 . 1 1 12 12 GLY H H 12 8.425 8.425 8.178 0.247 18345
1221 1 9 . 1 1 13 13 PRO HA H 13 4.530 4.530 5.131 -0.601 18345
1222 1 9 . 1 1 13 13 PRO CB C 13 31.900 31.900 33.034 -1.134 18345
1223 1 9 . 1 1 14 14 CYS N N 14 125.200 125.200 116.045 9.155 18345
1224 1 9 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.709 0.019 18345
1225 1 9 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.704 8.396 18345
1226 1 9 . 1 1 14 14 CYS H H 14 8.626 8.626 8.456 0.170 18345
1227 1 9 . 1 1 15 15 ALA N N 15 130.100 130.100 127.755 2.345 18345
1228 1 9 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.160 0.426 18345
1229 1 9 . 1 1 15 15 ALA H H 15 8.735 8.735 8.557 0.178 18345
1230 1 9 . 1 1 16 16 SER N N 16 112.400 112.400 112.317 0.083 18345
1231 1 9 . 1 1 16 16 SER HA H 16 4.812 4.812 4.707 0.104 18345
1232 1 9 . 1 1 16 16 SER H H 16 7.673 7.673 7.907 -0.234 18345
1233 1 9 . 1 1 17 17 ASP N N 17 130.800 130.800 126.637 4.163 18345
1234 1 9 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.229 0.112 18345
1235 1 9 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.640 -0.440 18345
1236 1 9 . 1 1 17 17 ASP H H 17 9.211 9.211 8.973 0.238 18345
1237 1 9 . 1 1 18 18 HIS N N 18 117.100 117.100 118.903 -1.803 18345
1238 1 9 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.256 0.175 18345
1239 1 9 . 1 1 18 18 HIS CB C 18 28.100 28.100 29.910 -1.810 18345
1240 1 9 . 1 1 18 18 HIS H H 18 8.714 8.714 8.511 0.203 18345
1241 1 9 . 1 1 19 19 ASN N N 19 119.300 119.300 117.576 1.724 18345
1242 1 9 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.397 0.193 18345
1243 1 9 . 1 1 19 19 ASN CB C 19 38.200 38.200 37.723 0.477 18345
1244 1 9 . 1 1 19 19 ASN H H 19 8.001 8.001 8.486 -0.485 18345
1245 1 9 . 1 1 20 20 CYS N N 20 117.500 117.500 120.426 -2.926 18345
1246 1 9 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.098 1.413 18345
1247 1 9 . 1 1 20 20 CYS CB C 20 35.400 35.400 24.965 10.435 18345
1248 1 9 . 1 1 20 20 CYS H H 20 7.646 7.646 7.801 -0.155 18345
1249 1 9 . 1 1 21 21 ALA N N 21 121.700 121.700 122.890 -1.190 18345
1250 1 9 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.751 -0.174 18345
1251 1 9 . 1 1 21 21 ALA H H 21 8.851 8.851 8.459 0.392 18345
1252 1 9 . 1 1 22 22 SER N N 22 112.200 112.200 114.531 -2.331 18345
1253 1 9 . 1 1 22 22 SER HA H 22 4.212 4.212 4.075 0.137 18345
1254 1 9 . 1 1 22 22 SER H H 22 8.040 8.040 7.832 0.208 18345
1255 1 9 . 1 1 23 23 VAL N N 23 123.400 123.400 122.708 0.692 18345
1256 1 9 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.693 0.149 18345
1257 1 9 . 1 1 23 23 VAL CB C 23 32.000 32.000 30.642 1.358 18345
1258 1 9 . 1 1 23 23 VAL H H 23 7.940 7.940 8.124 -0.184 18345
1259 1 9 . 1 1 24 24 CYS N N 24 121.400 121.400 120.432 0.968 18345
1260 1 9 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.133 0.581 18345
1261 1 9 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.932 12.468 18345
1262 1 9 . 1 1 24 24 CYS H H 24 9.188 9.188 8.137 1.051 18345
1263 1 9 . 1 1 25 25 GLN N N 25 120.500 120.500 118.278 2.222 18345
1264 1 9 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.810 2.290 18345
1265 1 9 . 1 1 25 25 GLN H H 25 8.414 8.414 8.501 -0.087 18345
1266 1 9 . 1 1 26 26 THR N N 26 114.500 114.500 109.927 4.573 18345
1267 1 9 . 1 1 26 26 THR HA H 26 4.527 4.527 4.175 0.352 18345
1268 1 9 . 1 1 26 26 THR H H 26 8.084 8.084 7.811 0.273 18345
1269 1 9 . 1 1 27 27 GLU N N 27 122.100 122.100 120.212 1.888 18345
1270 1 9 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.249 0.192 18345
1271 1 9 . 1 1 27 27 GLU H H 27 7.705 7.705 7.997 -0.292 18345
1272 1 9 . 1 1 28 28 ARG N N 28 109.500 109.500 117.411 -7.911 18345
1273 1 9 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.437 -0.514 18345
1274 1 9 . 1 1 28 28 ARG H H 28 7.817 7.817 8.046 -0.229 18345
1275 1 9 . 1 1 29 29 PHE N N 29 117.700 117.700 125.837 -8.137 18345
1276 1 9 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.371 0.615 18345
1277 1 9 . 1 1 29 29 PHE H H 29 7.945 7.945 8.822 -0.877 18345
1278 1 9 . 1 1 30 30 SER N N 30 113.100 113.100 122.564 -9.464 18345
1279 1 9 . 1 1 30 30 SER HA H 30 4.590 4.590 4.625 -0.035 18345
1280 1 9 . 1 1 30 30 SER H H 30 8.660 8.660 7.473 1.187 18345
1281 1 9 . 1 1 31 31 GLY N N 31 107.500 107.500 110.932 -3.432 18345
1282 1 9 . 1 1 31 31 GLY H H 31 7.746 7.746 8.297 -0.551 18345
1283 1 9 . 1 1 32 32 GLY N N 32 107.300 107.300 105.519 1.781 18345
1284 1 9 . 1 1 32 32 GLY H H 32 7.985 7.985 8.014 -0.029 18345
1285 1 9 . 1 1 33 33 ARG N N 33 115.400 115.400 122.661 -7.261 18345
1286 1 9 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.732 -0.319 18345
1287 1 9 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.233 -1.433 18345
1288 1 9 . 1 1 33 33 ARG H H 33 8.935 8.935 8.795 0.140 18345
1289 1 9 . 1 1 34 34 CYS N N 34 120.200 120.200 122.462 -2.262 18345
1290 1 9 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.560 -0.125 18345
1291 1 9 . 1 1 34 34 CYS CB C 34 36.700 36.700 27.478 9.222 18345
1292 1 9 . 1 1 34 34 CYS H H 34 8.831 8.831 8.683 0.148 18345
1293 1 9 . 1 1 35 35 ARG N N 35 121.700 121.700 125.974 -4.274 18345
1294 1 9 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.401 0.289 18345
1295 1 9 . 1 1 35 35 ARG H H 35 9.507 9.507 8.984 0.523 18345
1296 1 9 . 1 1 36 36 GLY N N 36 109.200 109.200 112.501 -3.301 18345
1297 1 9 . 1 1 36 36 GLY H H 36 8.466 8.466 7.757 0.709 18345
1298 1 9 . 1 1 37 37 PHE N N 37 121.700 121.700 120.043 1.657 18345
1299 1 9 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.391 0.030 18345
1300 1 9 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.285 -0.685 18345
1301 1 9 . 1 1 37 37 PHE H H 37 8.530 8.530 8.730 -0.200 18345
1302 1 9 . 1 1 38 38 ARG N N 38 118.500 118.500 118.273 0.227 18345
1303 1 9 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.457 -0.662 18345
1304 1 9 . 1 1 38 38 ARG H H 38 8.023 8.023 7.996 0.027 18345
1305 1 9 . 1 1 39 39 ARG N N 39 117.500 117.500 117.570 -0.070 18345
1306 1 9 . 1 1 39 39 ARG HA H 39 4.162 4.162 3.914 0.248 18345
1307 1 9 . 1 1 39 39 ARG H H 39 8.222 8.222 7.663 0.559 18345
1308 1 9 . 1 1 40 40 ARG N N 40 122.500 122.500 121.312 1.188 18345
1309 1 9 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.730 -0.138 18345
1310 1 9 . 1 1 40 40 ARG H H 40 8.292 8.292 8.113 0.179 18345
1311 1 9 . 1 1 41 41 CYS N N 41 120.100 120.100 124.242 -4.142 18345
1312 1 9 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.899 -0.182 18345
1313 1 9 . 1 1 41 41 CYS CB C 41 35.200 35.200 25.513 9.687 18345
1314 1 9 . 1 1 41 41 CYS H H 41 9.320 9.320 9.111 0.209 18345
1315 1 9 . 1 1 42 42 PHE N N 42 130.000 130.000 128.085 1.915 18345
1316 1 9 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.290 -0.805 18345
1317 1 9 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.606 -2.106 18345
1318 1 9 . 1 1 42 42 PHE H H 42 8.910 8.910 9.184 -0.274 18345
1319 1 9 . 1 1 43 43 CYS N N 43 120.900 120.900 118.040 2.860 18345
1320 1 9 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.523 -0.131 18345
1321 1 9 . 1 1 43 43 CYS CB C 43 36.200 36.200 31.720 4.480 18345
1322 1 9 . 1 1 43 43 CYS H H 43 8.819 8.819 9.061 -0.242 18345
1323 1 9 . 1 1 44 44 THR N N 44 115.200 115.200 117.230 -2.030 18345
1324 1 9 . 1 1 44 44 THR HA H 44 5.029 5.029 5.241 -0.212 18345
1325 1 9 . 1 1 44 44 THR H H 44 8.420 8.420 8.760 -0.340 18345
1326 1 9 . 1 1 45 45 THR N N 45 116.900 116.900 119.829 -2.929 18345
1327 1 9 . 1 1 45 45 THR HA H 45 4.849 4.849 4.785 0.064 18345
1328 1 9 . 1 1 45 45 THR H H 45 8.538 8.538 9.119 -0.581 18345
1329 1 9 . 1 1 46 46 HIS N N 46 121.800 121.800 123.565 -1.765 18345
1330 1 9 . 1 1 46 46 HIS HA H 46 5.071 5.071 5.094 -0.023 18345
1331 1 9 . 1 1 46 46 HIS CB C 46 28.700 28.700 30.354 -1.654 18345
1332 1 9 . 1 1 46 46 HIS H H 46 8.548 8.548 8.716 -0.168 18345
1333 1 10 . 1 1 2 2 THR N N 2 118.700 118.700 122.480 -3.780 18345
1334 1 10 . 1 1 2 2 THR HA H 2 4.847 4.847 4.832 0.015 18345
1335 1 10 . 1 1 2 2 THR H H 2 8.842 8.842 8.304 0.538 18345
1336 1 10 . 1 1 3 3 CYS N N 3 125.400 125.400 126.918 -1.518 18345
1337 1 10 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.756 0.209 18345
1338 1 10 . 1 1 3 3 CYS CB C 3 41.700 41.700 30.017 11.683 18345
1339 1 10 . 1 1 3 3 CYS H H 3 8.950 8.950 8.650 0.300 18345
1340 1 10 . 1 1 4 4 GLU N N 4 120.200 120.200 125.931 -5.731 18345
1341 1 10 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.666 -0.096 18345
1342 1 10 . 1 1 4 4 GLU H H 4 8.550 8.550 8.781 -0.231 18345
1343 1 10 . 1 1 5 5 SER N N 5 116.000 116.000 120.750 -4.750 18345
1344 1 10 . 1 1 5 5 SER HA H 5 4.660 4.660 4.861 -0.201 18345
1345 1 10 . 1 1 5 5 SER H H 5 8.748 8.748 8.995 -0.247 18345
1346 1 10 . 1 1 6 6 GLN N N 6 127.200 127.200 119.267 7.933 18345
1347 1 10 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.199 -0.841 18345
1348 1 10 . 1 1 6 6 GLN H H 6 8.993 8.993 8.256 0.737 18345
1349 1 10 . 1 1 7 7 SER N N 7 119.400 119.400 120.454 -1.054 18345
1350 1 10 . 1 1 7 7 SER HA H 7 4.291 4.291 4.787 -0.496 18345
1351 1 10 . 1 1 7 7 SER H H 7 8.165 8.165 8.638 -0.473 18345
1352 1 10 . 1 1 8 8 HIS N N 8 128.400 128.400 123.342 5.058 18345
1353 1 10 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.691 0.117 18345
1354 1 10 . 1 1 8 8 HIS CB C 8 29.100 29.100 29.682 -0.582 18345
1355 1 10 . 1 1 8 8 HIS H H 8 10.500 10.500 8.764 1.736 18345
1356 1 10 . 1 1 9 9 LYS N N 9 119.100 119.100 121.233 -2.133 18345
1357 1 10 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.059 0.225 18345
1358 1 10 . 1 1 9 9 LYS H H 9 8.401 8.401 8.039 0.362 18345
1359 1 10 . 1 1 10 10 PHE N N 10 121.700 121.700 121.780 -0.080 18345
1360 1 10 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.535 -0.571 18345
1361 1 10 . 1 1 10 10 PHE CB C 10 39.000 39.000 40.091 -1.091 18345
1362 1 10 . 1 1 10 10 PHE H H 10 8.324 8.324 7.465 0.859 18345
1363 1 10 . 1 1 11 11 LYS N N 11 129.000 129.000 128.933 0.067 18345
1364 1 10 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.264 0.368 18345
1365 1 10 . 1 1 11 11 LYS CB C 11 35.100 35.100 31.644 3.456 18345
1366 1 10 . 1 1 11 11 LYS H H 11 7.905 7.905 8.517 -0.612 18345
1367 1 10 . 1 1 12 12 GLY N N 12 110.000 110.000 112.780 -2.780 18345
1368 1 10 . 1 1 12 12 GLY H H 12 8.425 8.425 7.773 0.652 18345
1369 1 10 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.901 -0.371 18345
1370 1 10 . 1 1 13 13 PRO CB C 13 31.900 31.900 33.089 -1.188 18345
1371 1 10 . 1 1 14 14 CYS N N 14 125.200 125.200 115.367 9.833 18345
1372 1 10 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.606 0.122 18345
1373 1 10 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.763 8.337 18345
1374 1 10 . 1 1 14 14 CYS H H 14 8.626 8.626 8.324 0.302 18345
1375 1 10 . 1 1 15 15 ALA N N 15 130.100 130.100 127.301 2.799 18345
1376 1 10 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.327 0.259 18345
1377 1 10 . 1 1 15 15 ALA H H 15 8.735 8.735 8.596 0.139 18345
1378 1 10 . 1 1 16 16 SER N N 16 112.400 112.400 113.031 -0.631 18345
1379 1 10 . 1 1 16 16 SER HA H 16 4.812 4.812 4.796 0.016 18345
1380 1 10 . 1 1 16 16 SER H H 16 7.673 7.673 7.856 -0.183 18345
1381 1 10 . 1 1 17 17 ASP N N 17 130.800 130.800 127.553 3.247 18345
1382 1 10 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.246 0.094 18345
1383 1 10 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.648 -0.448 18345
1384 1 10 . 1 1 17 17 ASP H H 17 9.211 9.211 8.883 0.328 18345
1385 1 10 . 1 1 18 18 HIS N N 18 117.100 117.100 118.847 -1.747 18345
1386 1 10 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.242 0.189 18345
1387 1 10 . 1 1 18 18 HIS CB C 18 28.100 28.100 29.952 -1.852 18345
1388 1 10 . 1 1 18 18 HIS H H 18 8.714 8.714 8.416 0.298 18345
1389 1 10 . 1 1 19 19 ASN N N 19 119.300 119.300 117.717 1.583 18345
1390 1 10 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.456 0.134 18345
1391 1 10 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.000 0.200 18345
1392 1 10 . 1 1 19 19 ASN H H 19 8.001 8.001 8.539 -0.538 18345
1393 1 10 . 1 1 20 20 CYS N N 20 117.500 117.500 119.570 -2.070 18345
1394 1 10 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.449 1.062 18345
1395 1 10 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.145 10.255 18345
1396 1 10 . 1 1 20 20 CYS H H 20 7.646 7.646 8.117 -0.471 18345
1397 1 10 . 1 1 21 21 ALA N N 21 121.700 121.700 122.889 -1.189 18345
1398 1 10 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.884 -0.307 18345
1399 1 10 . 1 1 21 21 ALA H H 21 8.851 8.851 8.408 0.443 18345
1400 1 10 . 1 1 22 22 SER N N 22 112.200 112.200 114.123 -1.923 18345
1401 1 10 . 1 1 22 22 SER HA H 22 4.212 4.212 3.940 0.272 18345
1402 1 10 . 1 1 22 22 SER H H 22 8.040 8.040 7.741 0.299 18345
1403 1 10 . 1 1 23 23 VAL N N 23 123.400 123.400 122.299 1.101 18345
1404 1 10 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.602 0.240 18345
1405 1 10 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.898 0.102 18345
1406 1 10 . 1 1 23 23 VAL H H 23 7.940 7.940 8.350 -0.410 18345
1407 1 10 . 1 1 24 24 CYS N N 24 121.400 121.400 119.679 1.721 18345
1408 1 10 . 1 1 24 24 CYS HA H 24 4.714 4.714 3.894 0.820 18345
1409 1 10 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.648 12.752 18345
1410 1 10 . 1 1 24 24 CYS H H 24 9.188 9.188 8.194 0.994 18345
1411 1 10 . 1 1 25 25 GLN N N 25 120.500 120.500 117.500 3.000 18345
1412 1 10 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.997 2.103 18345
1413 1 10 . 1 1 25 25 GLN H H 25 8.414 8.414 8.159 0.255 18345
1414 1 10 . 1 1 26 26 THR N N 26 114.500 114.500 112.403 2.097 18345
1415 1 10 . 1 1 26 26 THR HA H 26 4.527 4.527 3.985 0.542 18345
1416 1 10 . 1 1 26 26 THR H H 26 8.084 8.084 7.887 0.197 18345
1417 1 10 . 1 1 27 27 GLU N N 27 122.100 122.100 122.242 -0.142 18345
1418 1 10 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.200 0.241 18345
1419 1 10 . 1 1 27 27 GLU H H 27 7.705 7.705 8.005 -0.300 18345
1420 1 10 . 1 1 28 28 ARG N N 28 109.500 109.500 116.166 -6.666 18345
1421 1 10 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.374 -0.451 18345
1422 1 10 . 1 1 28 28 ARG H H 28 7.817 7.817 8.130 -0.313 18345
1423 1 10 . 1 1 29 29 PHE N N 29 117.700 117.700 121.256 -3.556 18345
1424 1 10 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.347 0.639 18345
1425 1 10 . 1 1 29 29 PHE H H 29 7.945 7.945 8.840 -0.895 18345
1426 1 10 . 1 1 30 30 SER N N 30 113.100 113.100 118.539 -5.439 18345
1427 1 10 . 1 1 30 30 SER HA H 30 4.590 4.590 4.576 0.014 18345
1428 1 10 . 1 1 30 30 SER H H 30 8.660 8.660 7.909 0.751 18345
1429 1 10 . 1 1 31 31 GLY N N 31 107.500 107.500 111.074 -3.574 18345
1430 1 10 . 1 1 31 31 GLY H H 31 7.746 7.746 8.371 -0.625 18345
1431 1 10 . 1 1 32 32 GLY N N 32 107.300 107.300 108.357 -1.057 18345
1432 1 10 . 1 1 32 32 GLY H H 32 7.985 7.985 8.305 -0.320 18345
1433 1 10 . 1 1 33 33 ARG N N 33 115.400 115.400 124.087 -8.687 18345
1434 1 10 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.901 -0.488 18345
1435 1 10 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.304 -1.504 18345
1436 1 10 . 1 1 33 33 ARG H H 33 8.935 8.935 9.133 -0.198 18345
1437 1 10 . 1 1 34 34 CYS N N 34 120.200 120.200 119.467 0.733 18345
1438 1 10 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.484 -0.049 18345
1439 1 10 . 1 1 34 34 CYS CB C 34 36.700 36.700 28.950 7.750 18345
1440 1 10 . 1 1 34 34 CYS H H 34 8.831 8.831 8.625 0.206 18345
1441 1 10 . 1 1 35 35 ARG N N 35 121.700 121.700 127.016 -5.316 18345
1442 1 10 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.536 0.154 18345
1443 1 10 . 1 1 35 35 ARG H H 35 9.507 9.507 9.218 0.289 18345
1444 1 10 . 1 1 36 36 GLY N N 36 109.200 109.200 109.265 -0.065 18345
1445 1 10 . 1 1 36 36 GLY H H 36 8.466 8.466 7.779 0.687 18345
1446 1 10 . 1 1 37 37 PHE N N 37 121.700 121.700 119.761 1.939 18345
1447 1 10 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.500 -0.078 18345
1448 1 10 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.075 -0.475 18345
1449 1 10 . 1 1 37 37 PHE H H 37 8.530 8.530 8.303 0.227 18345
1450 1 10 . 1 1 38 38 ARG N N 38 118.500 118.500 118.874 -0.374 18345
1451 1 10 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.461 -0.666 18345
1452 1 10 . 1 1 38 38 ARG H H 38 8.023 8.023 7.872 0.151 18345
1453 1 10 . 1 1 39 39 ARG N N 39 117.500 117.500 118.343 -0.843 18345
1454 1 10 . 1 1 39 39 ARG HA H 39 4.162 4.162 3.882 0.280 18345
1455 1 10 . 1 1 39 39 ARG H H 39 8.222 8.222 7.730 0.492 18345
1456 1 10 . 1 1 40 40 ARG N N 40 122.500 122.500 118.219 4.281 18345
1457 1 10 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.651 -0.059 18345
1458 1 10 . 1 1 40 40 ARG H H 40 8.292 8.292 7.915 0.377 18345
1459 1 10 . 1 1 41 41 CYS N N 41 120.100 120.100 123.292 -3.192 18345
1460 1 10 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.846 -0.129 18345
1461 1 10 . 1 1 41 41 CYS CB C 41 35.200 35.200 25.702 9.498 18345
1462 1 10 . 1 1 41 41 CYS H H 41 9.320 9.320 9.166 0.154 18345
1463 1 10 . 1 1 42 42 PHE N N 42 130.000 130.000 125.405 4.595 18345
1464 1 10 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.160 -0.675 18345
1465 1 10 . 1 1 42 42 PHE CB C 42 41.500 41.500 42.863 -1.363 18345
1466 1 10 . 1 1 42 42 PHE H H 42 8.910 8.910 9.041 -0.131 18345
1467 1 10 . 1 1 43 43 CYS N N 43 120.900 120.900 120.905 -0.005 18345
1468 1 10 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.634 -0.242 18345
1469 1 10 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.482 5.718 18345
1470 1 10 . 1 1 43 43 CYS H H 43 8.819 8.819 9.024 -0.205 18345
1471 1 10 . 1 1 44 44 THR N N 44 115.200 115.200 117.065 -1.865 18345
1472 1 10 . 1 1 44 44 THR HA H 44 5.029 5.029 5.355 -0.326 18345
1473 1 10 . 1 1 44 44 THR H H 44 8.420 8.420 8.992 -0.572 18345
1474 1 10 . 1 1 45 45 THR N N 45 116.900 116.900 118.669 -1.769 18345
1475 1 10 . 1 1 45 45 THR HA H 45 4.849 4.849 4.605 0.244 18345
1476 1 10 . 1 1 45 45 THR H H 45 8.538 8.538 8.691 -0.153 18345
1477 1 10 . 1 1 46 46 HIS N N 46 121.800 121.800 122.384 -0.584 18345
1478 1 10 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.518 0.553 18345
1479 1 10 . 1 1 46 46 HIS CB C 46 28.700 28.700 29.081 -0.380 18345
1480 1 10 . 1 1 46 46 HIS H H 46 8.548 8.548 8.508 0.040 18345
1481 1 11 . 1 1 2 2 THR N N 2 118.700 118.700 118.554 0.146 18345
1482 1 11 . 1 1 2 2 THR HA H 2 4.847 4.847 4.747 0.100 18345
1483 1 11 . 1 1 2 2 THR H H 2 8.842 8.842 7.749 1.093 18345
1484 1 11 . 1 1 3 3 CYS N N 3 125.400 125.400 126.496 -1.096 18345
1485 1 11 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.834 0.131 18345
1486 1 11 . 1 1 3 3 CYS CB C 3 41.700 41.700 29.232 12.468 18345
1487 1 11 . 1 1 3 3 CYS H H 3 8.950 8.950 9.121 -0.171 18345
1488 1 11 . 1 1 4 4 GLU N N 4 120.200 120.200 124.669 -4.469 18345
1489 1 11 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.576 -0.006 18345
1490 1 11 . 1 1 4 4 GLU H H 4 8.550 8.550 8.640 -0.090 18345
1491 1 11 . 1 1 5 5 SER N N 5 116.000 116.000 114.866 1.134 18345
1492 1 11 . 1 1 5 5 SER HA H 5 4.660 4.660 4.797 -0.137 18345
1493 1 11 . 1 1 5 5 SER H H 5 8.748 8.748 8.964 -0.216 18345
1494 1 11 . 1 1 6 6 GLN N N 6 127.200 127.200 120.129 7.071 18345
1495 1 11 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.212 -0.854 18345
1496 1 11 . 1 1 6 6 GLN H H 6 8.993 8.993 8.425 0.568 18345
1497 1 11 . 1 1 7 7 SER N N 7 119.400 119.400 122.821 -3.421 18345
1498 1 11 . 1 1 7 7 SER HA H 7 4.291 4.291 4.607 -0.316 18345
1499 1 11 . 1 1 7 7 SER H H 7 8.165 8.165 8.577 -0.412 18345
1500 1 11 . 1 1 8 8 HIS N N 8 128.400 128.400 122.267 6.133 18345
1501 1 11 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.707 0.101 18345
1502 1 11 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.341 -1.241 18345
1503 1 11 . 1 1 8 8 HIS H H 8 10.500 10.500 7.873 2.627 18345
1504 1 11 . 1 1 9 9 LYS N N 9 119.100 119.100 120.833 -1.733 18345
1505 1 11 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.121 0.163 18345
1506 1 11 . 1 1 9 9 LYS H H 9 8.401 8.401 7.902 0.499 18345
1507 1 11 . 1 1 10 10 PHE N N 10 121.700 121.700 121.582 0.118 18345
1508 1 11 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.373 -0.409 18345
1509 1 11 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.503 -0.503 18345
1510 1 11 . 1 1 10 10 PHE H H 10 8.324 8.324 8.151 0.173 18345
1511 1 11 . 1 1 11 11 LYS N N 11 129.000 129.000 127.922 1.078 18345
1512 1 11 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.047 0.585 18345
1513 1 11 . 1 1 11 11 LYS CB C 11 35.100 35.100 30.524 4.576 18345
1514 1 11 . 1 1 11 11 LYS H H 11 7.905 7.905 8.047 -0.142 18345
1515 1 11 . 1 1 12 12 GLY N N 12 110.000 110.000 113.451 -3.451 18345
1516 1 11 . 1 1 12 12 GLY H H 12 8.425 8.425 7.817 0.608 18345
1517 1 11 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.554 -0.024 18345
1518 1 11 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.614 -0.714 18345
1519 1 11 . 1 1 14 14 CYS N N 14 125.200 125.200 121.393 3.807 18345
1520 1 11 . 1 1 14 14 CYS HA H 14 4.728 4.728 3.979 0.749 18345
1521 1 11 . 1 1 14 14 CYS CB C 14 33.100 33.100 25.821 7.279 18345
1522 1 11 . 1 1 14 14 CYS H H 14 8.626 8.626 8.532 0.094 18345
1523 1 11 . 1 1 15 15 ALA N N 15 130.100 130.100 129.823 0.277 18345
1524 1 11 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.197 0.389 18345
1525 1 11 . 1 1 15 15 ALA H H 15 8.735 8.735 8.373 0.362 18345
1526 1 11 . 1 1 16 16 SER N N 16 112.400 112.400 111.100 1.300 18345
1527 1 11 . 1 1 16 16 SER HA H 16 4.812 4.812 4.666 0.146 18345
1528 1 11 . 1 1 16 16 SER H H 16 7.673 7.673 7.601 0.072 18345
1529 1 11 . 1 1 17 17 ASP N N 17 130.800 130.800 127.797 3.003 18345
1530 1 11 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.177 0.163 18345
1531 1 11 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.809 -0.609 18345
1532 1 11 . 1 1 17 17 ASP H H 17 9.211 9.211 8.881 0.330 18345
1533 1 11 . 1 1 18 18 HIS N N 18 117.100 117.100 116.403 0.697 18345
1534 1 11 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.186 0.245 18345
1535 1 11 . 1 1 18 18 HIS CB C 18 28.100 28.100 29.815 -1.715 18345
1536 1 11 . 1 1 18 18 HIS H H 18 8.714 8.714 8.479 0.235 18345
1537 1 11 . 1 1 19 19 ASN N N 19 119.300 119.300 118.289 1.011 18345
1538 1 11 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.527 0.063 18345
1539 1 11 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.303 -0.103 18345
1540 1 11 . 1 1 19 19 ASN H H 19 8.001 8.001 7.540 0.461 18345
1541 1 11 . 1 1 20 20 CYS N N 20 117.500 117.500 119.872 -2.372 18345
1542 1 11 . 1 1 20 20 CYS HA H 20 4.511 4.511 4.030 0.481 18345
1543 1 11 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.145 10.255 18345
1544 1 11 . 1 1 20 20 CYS H H 20 7.646 7.646 7.923 -0.277 18345
1545 1 11 . 1 1 21 21 ALA N N 21 121.700 121.700 123.194 -1.494 18345
1546 1 11 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.846 -0.269 18345
1547 1 11 . 1 1 21 21 ALA H H 21 8.851 8.851 8.743 0.108 18345
1548 1 11 . 1 1 22 22 SER N N 22 112.200 112.200 114.887 -2.687 18345
1549 1 11 . 1 1 22 22 SER HA H 22 4.212 4.212 4.222 -0.010 18345
1550 1 11 . 1 1 22 22 SER H H 22 8.040 8.040 7.809 0.231 18345
1551 1 11 . 1 1 23 23 VAL N N 23 123.400 123.400 122.589 0.811 18345
1552 1 11 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.744 0.098 18345
1553 1 11 . 1 1 23 23 VAL CB C 23 32.000 32.000 30.770 1.230 18345
1554 1 11 . 1 1 23 23 VAL H H 23 7.940 7.940 8.348 -0.408 18345
1555 1 11 . 1 1 24 24 CYS N N 24 121.400 121.400 119.563 1.837 18345
1556 1 11 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.021 0.693 18345
1557 1 11 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.997 12.403 18345
1558 1 11 . 1 1 24 24 CYS H H 24 9.188 9.188 8.200 0.988 18345
1559 1 11 . 1 1 25 25 GLN N N 25 120.500 120.500 117.641 2.859 18345
1560 1 11 . 1 1 25 25 GLN CB C 25 31.100 31.100 29.003 2.098 18345
1561 1 11 . 1 1 25 25 GLN H H 25 8.414 8.414 8.319 0.095 18345
1562 1 11 . 1 1 26 26 THR N N 26 114.500 114.500 111.339 3.161 18345
1563 1 11 . 1 1 26 26 THR HA H 26 4.527 4.527 4.166 0.361 18345
1564 1 11 . 1 1 26 26 THR H H 26 8.084 8.084 8.043 0.041 18345
1565 1 11 . 1 1 27 27 GLU N N 27 122.100 122.100 121.084 1.016 18345
1566 1 11 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.173 0.268 18345
1567 1 11 . 1 1 27 27 GLU H H 27 7.705 7.705 8.207 -0.502 18345
1568 1 11 . 1 1 28 28 ARG N N 28 109.500 109.500 117.001 -7.501 18345
1569 1 11 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.482 -0.559 18345
1570 1 11 . 1 1 28 28 ARG H H 28 7.817 7.817 7.520 0.297 18345
1571 1 11 . 1 1 29 29 PHE N N 29 117.700 117.700 123.181 -5.481 18345
1572 1 11 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.504 0.482 18345
1573 1 11 . 1 1 29 29 PHE H H 29 7.945 7.945 8.794 -0.849 18345
1574 1 11 . 1 1 30 30 SER N N 30 113.100 113.100 121.972 -8.872 18345
1575 1 11 . 1 1 30 30 SER HA H 30 4.590 4.590 4.441 0.149 18345
1576 1 11 . 1 1 30 30 SER H H 30 8.660 8.660 7.723 0.937 18345
1577 1 11 . 1 1 31 31 GLY N N 31 107.500 107.500 109.931 -2.431 18345
1578 1 11 . 1 1 31 31 GLY H H 31 7.746 7.746 8.328 -0.582 18345
1579 1 11 . 1 1 32 32 GLY N N 32 107.300 107.300 108.599 -1.299 18345
1580 1 11 . 1 1 32 32 GLY H H 32 7.985 7.985 8.155 -0.170 18345
1581 1 11 . 1 1 33 33 ARG N N 33 115.400 115.400 121.694 -6.294 18345
1582 1 11 . 1 1 33 33 ARG HA H 33 4.413 4.413 5.130 -0.717 18345
1583 1 11 . 1 1 33 33 ARG CB C 33 32.800 32.800 33.887 -1.087 18345
1584 1 11 . 1 1 33 33 ARG H H 33 8.935 8.935 8.636 0.299 18345
1585 1 11 . 1 1 34 34 CYS N N 34 120.200 120.200 123.317 -3.117 18345
1586 1 11 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.170 0.265 18345
1587 1 11 . 1 1 34 34 CYS CB C 34 36.700 36.700 29.520 7.180 18345
1588 1 11 . 1 1 34 34 CYS H H 34 8.831 8.831 8.961 -0.130 18345
1589 1 11 . 1 1 35 35 ARG N N 35 121.700 121.700 124.379 -2.679 18345
1590 1 11 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.173 0.517 18345
1591 1 11 . 1 1 35 35 ARG H H 35 9.507 9.507 8.773 0.734 18345
1592 1 11 . 1 1 36 36 GLY N N 36 109.200 109.200 115.417 -6.217 18345
1593 1 11 . 1 1 36 36 GLY H H 36 8.466 8.466 8.410 0.056 18345
1594 1 11 . 1 1 37 37 PHE N N 37 121.700 121.700 120.822 0.878 18345
1595 1 11 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.648 -0.227 18345
1596 1 11 . 1 1 37 37 PHE CB C 37 38.600 38.600 41.629 -3.029 18345
1597 1 11 . 1 1 37 37 PHE H H 37 8.530 8.530 7.970 0.560 18345
1598 1 11 . 1 1 38 38 ARG N N 38 118.500 118.500 120.829 -2.329 18345
1599 1 11 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.859 -1.064 18345
1600 1 11 . 1 1 38 38 ARG H H 38 8.023 8.023 8.361 -0.338 18345
1601 1 11 . 1 1 39 39 ARG N N 39 117.500 117.500 120.416 -2.916 18345
1602 1 11 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.514 -0.352 18345
1603 1 11 . 1 1 39 39 ARG H H 39 8.222 8.222 8.614 -0.392 18345
1604 1 11 . 1 1 40 40 ARG N N 40 122.500 122.500 119.970 2.530 18345
1605 1 11 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.635 -0.043 18345
1606 1 11 . 1 1 40 40 ARG H H 40 8.292 8.292 8.011 0.281 18345
1607 1 11 . 1 1 41 41 CYS N N 41 120.100 120.100 121.851 -1.751 18345
1608 1 11 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.844 -0.127 18345
1609 1 11 . 1 1 41 41 CYS CB C 41 35.200 35.200 28.870 6.330 18345
1610 1 11 . 1 1 41 41 CYS H H 41 9.320 9.320 8.918 0.402 18345
1611 1 11 . 1 1 42 42 PHE N N 42 130.000 130.000 123.488 6.512 18345
1612 1 11 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.118 -0.633 18345
1613 1 11 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.807 -2.307 18345
1614 1 11 . 1 1 42 42 PHE H H 42 8.910 8.910 9.114 -0.204 18345
1615 1 11 . 1 1 43 43 CYS N N 43 120.900 120.900 119.291 1.609 18345
1616 1 11 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.612 -0.221 18345
1617 1 11 . 1 1 43 43 CYS CB C 43 36.200 36.200 31.941 4.259 18345
1618 1 11 . 1 1 43 43 CYS H H 43 8.819 8.819 8.840 -0.021 18345
1619 1 11 . 1 1 44 44 THR N N 44 115.200 115.200 115.687 -0.487 18345
1620 1 11 . 1 1 44 44 THR HA H 44 5.029 5.029 5.444 -0.415 18345
1621 1 11 . 1 1 44 44 THR H H 44 8.420 8.420 9.087 -0.667 18345
1622 1 11 . 1 1 45 45 THR N N 45 116.900 116.900 117.849 -0.949 18345
1623 1 11 . 1 1 45 45 THR HA H 45 4.849 4.849 4.428 0.421 18345
1624 1 11 . 1 1 45 45 THR H H 45 8.538 8.538 9.083 -0.545 18345
1625 1 11 . 1 1 46 46 HIS N N 46 121.800 121.800 121.382 0.418 18345
1626 1 11 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.761 0.310 18345
1627 1 11 . 1 1 46 46 HIS CB C 46 28.700 28.700 30.568 -1.868 18345
1628 1 11 . 1 1 46 46 HIS H H 46 8.548 8.548 8.689 -0.141 18345
1629 1 12 . 1 1 2 2 THR N N 2 118.700 118.700 117.272 1.428 18345
1630 1 12 . 1 1 2 2 THR HA H 2 4.847 4.847 4.972 -0.125 18345
1631 1 12 . 1 1 2 2 THR H H 2 8.842 8.842 8.348 0.494 18345
1632 1 12 . 1 1 3 3 CYS N N 3 125.400 125.400 126.289 -0.889 18345
1633 1 12 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.799 0.166 18345
1634 1 12 . 1 1 3 3 CYS CB C 3 41.700 41.700 30.762 10.938 18345
1635 1 12 . 1 1 3 3 CYS H H 3 8.950 8.950 9.055 -0.105 18345
1636 1 12 . 1 1 4 4 GLU N N 4 120.200 120.200 123.705 -3.505 18345
1637 1 12 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.445 0.125 18345
1638 1 12 . 1 1 4 4 GLU H H 4 8.550 8.550 8.612 -0.062 18345
1639 1 12 . 1 1 5 5 SER N N 5 116.000 116.000 118.894 -2.894 18345
1640 1 12 . 1 1 5 5 SER HA H 5 4.660 4.660 4.871 -0.211 18345
1641 1 12 . 1 1 5 5 SER H H 5 8.748 8.748 9.151 -0.403 18345
1642 1 12 . 1 1 6 6 GLN N N 6 127.200 127.200 119.895 7.305 18345
1643 1 12 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.554 -1.196 18345
1644 1 12 . 1 1 6 6 GLN H H 6 8.993 8.993 8.438 0.555 18345
1645 1 12 . 1 1 7 7 SER N N 7 119.400 119.400 121.110 -1.710 18345
1646 1 12 . 1 1 7 7 SER HA H 7 4.291 4.291 4.774 -0.483 18345
1647 1 12 . 1 1 7 7 SER H H 7 8.165 8.165 8.488 -0.323 18345
1648 1 12 . 1 1 8 8 HIS N N 8 128.400 128.400 125.420 2.980 18345
1649 1 12 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.570 0.238 18345
1650 1 12 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.461 -1.361 18345
1651 1 12 . 1 1 8 8 HIS H H 8 10.500 10.500 8.923 1.577 18345
1652 1 12 . 1 1 9 9 LYS N N 9 119.100 119.100 118.725 0.375 18345
1653 1 12 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.122 0.162 18345
1654 1 12 . 1 1 9 9 LYS H H 9 8.401 8.401 8.193 0.208 18345
1655 1 12 . 1 1 10 10 PHE N N 10 121.700 121.700 119.494 2.206 18345
1656 1 12 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.346 -0.382 18345
1657 1 12 . 1 1 10 10 PHE CB C 10 39.000 39.000 38.533 0.467 18345
1658 1 12 . 1 1 10 10 PHE H H 10 8.324 8.324 7.816 0.508 18345
1659 1 12 . 1 1 11 11 LYS N N 11 129.000 129.000 129.058 -0.058 18345
1660 1 12 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.232 0.400 18345
1661 1 12 . 1 1 11 11 LYS CB C 11 35.100 35.100 33.362 1.738 18345
1662 1 12 . 1 1 11 11 LYS H H 11 7.905 7.905 7.967 -0.062 18345
1663 1 12 . 1 1 12 12 GLY N N 12 110.000 110.000 113.046 -3.046 18345
1664 1 12 . 1 1 12 12 GLY H H 12 8.425 8.425 8.054 0.371 18345
1665 1 12 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.863 -0.333 18345
1666 1 12 . 1 1 13 13 PRO CB C 13 31.900 31.900 33.169 -1.269 18345
1667 1 12 . 1 1 14 14 CYS N N 14 125.200 125.200 119.589 5.611 18345
1668 1 12 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.476 0.252 18345
1669 1 12 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.595 8.505 18345
1670 1 12 . 1 1 14 14 CYS H H 14 8.626 8.626 7.959 0.667 18345
1671 1 12 . 1 1 15 15 ALA N N 15 130.100 130.100 129.591 0.509 18345
1672 1 12 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.105 0.481 18345
1673 1 12 . 1 1 15 15 ALA H H 15 8.735 8.735 8.498 0.237 18345
1674 1 12 . 1 1 16 16 SER N N 16 112.400 112.400 111.450 0.950 18345
1675 1 12 . 1 1 16 16 SER HA H 16 4.812 4.812 4.506 0.306 18345
1676 1 12 . 1 1 16 16 SER H H 16 7.673 7.673 7.666 0.007 18345
1677 1 12 . 1 1 17 17 ASP N N 17 130.800 130.800 130.071 0.729 18345
1678 1 12 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.254 0.086 18345
1679 1 12 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.432 -0.232 18345
1680 1 12 . 1 1 17 17 ASP H H 17 9.211 9.211 8.838 0.373 18345
1681 1 12 . 1 1 18 18 HIS N N 18 117.100 117.100 119.715 -2.615 18345
1682 1 12 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.278 0.153 18345
1683 1 12 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.105 -2.005 18345
1684 1 12 . 1 1 18 18 HIS H H 18 8.714 8.714 7.805 0.909 18345
1685 1 12 . 1 1 19 19 ASN N N 19 119.300 119.300 117.985 1.315 18345
1686 1 12 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.620 -0.030 18345
1687 1 12 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.911 -0.711 18345
1688 1 12 . 1 1 19 19 ASN H H 19 8.001 8.001 7.645 0.356 18345
1689 1 12 . 1 1 20 20 CYS N N 20 117.500 117.500 120.610 -3.110 18345
1690 1 12 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.111 1.400 18345
1691 1 12 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.167 10.233 18345
1692 1 12 . 1 1 20 20 CYS H H 20 7.646 7.646 8.157 -0.511 18345
1693 1 12 . 1 1 21 21 ALA N N 21 121.700 121.700 122.707 -1.007 18345
1694 1 12 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.783 -0.206 18345
1695 1 12 . 1 1 21 21 ALA H H 21 8.851 8.851 8.350 0.501 18345
1696 1 12 . 1 1 22 22 SER N N 22 112.200 112.200 114.705 -2.505 18345
1697 1 12 . 1 1 22 22 SER HA H 22 4.212 4.212 4.123 0.089 18345
1698 1 12 . 1 1 22 22 SER H H 22 8.040 8.040 7.774 0.266 18345
1699 1 12 . 1 1 23 23 VAL N N 23 123.400 123.400 122.227 1.173 18345
1700 1 12 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.770 0.072 18345
1701 1 12 . 1 1 23 23 VAL CB C 23 32.000 32.000 30.878 1.122 18345
1702 1 12 . 1 1 23 23 VAL H H 23 7.940 7.940 8.592 -0.652 18345
1703 1 12 . 1 1 24 24 CYS N N 24 121.400 121.400 120.587 0.813 18345
1704 1 12 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.039 0.675 18345
1705 1 12 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.646 12.754 18345
1706 1 12 . 1 1 24 24 CYS H H 24 9.188 9.188 8.223 0.965 18345
1707 1 12 . 1 1 25 25 GLN N N 25 120.500 120.500 118.372 2.128 18345
1708 1 12 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.883 2.217 18345
1709 1 12 . 1 1 25 25 GLN H H 25 8.414 8.414 8.504 -0.090 18345
1710 1 12 . 1 1 26 26 THR N N 26 114.500 114.500 111.590 2.910 18345
1711 1 12 . 1 1 26 26 THR HA H 26 4.527 4.527 4.168 0.359 18345
1712 1 12 . 1 1 26 26 THR H H 26 8.084 8.084 8.161 -0.077 18345
1713 1 12 . 1 1 27 27 GLU N N 27 122.100 122.100 120.889 1.211 18345
1714 1 12 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.271 0.170 18345
1715 1 12 . 1 1 27 27 GLU H H 27 7.705 7.705 7.961 -0.256 18345
1716 1 12 . 1 1 28 28 ARG N N 28 109.500 109.500 116.776 -7.276 18345
1717 1 12 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.528 -0.605 18345
1718 1 12 . 1 1 28 28 ARG H H 28 7.817 7.817 8.085 -0.268 18345
1719 1 12 . 1 1 29 29 PHE N N 29 117.700 117.700 125.515 -7.815 18345
1720 1 12 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.405 0.581 18345
1721 1 12 . 1 1 29 29 PHE H H 29 7.945 7.945 9.036 -1.091 18345
1722 1 12 . 1 1 30 30 SER N N 30 113.100 113.100 122.499 -9.399 18345
1723 1 12 . 1 1 30 30 SER HA H 30 4.590 4.590 4.769 -0.179 18345
1724 1 12 . 1 1 30 30 SER H H 30 8.660 8.660 7.581 1.079 18345
1725 1 12 . 1 1 31 31 GLY N N 31 107.500 107.500 111.583 -4.083 18345
1726 1 12 . 1 1 31 31 GLY H H 31 7.746 7.746 8.388 -0.642 18345
1727 1 12 . 1 1 32 32 GLY N N 32 107.300 107.300 111.113 -3.813 18345
1728 1 12 . 1 1 32 32 GLY H H 32 7.985 7.985 8.018 -0.033 18345
1729 1 12 . 1 1 33 33 ARG N N 33 115.400 115.400 121.757 -6.357 18345
1730 1 12 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.797 -0.384 18345
1731 1 12 . 1 1 33 33 ARG CB C 33 32.800 32.800 33.733 -0.933 18345
1732 1 12 . 1 1 33 33 ARG H H 33 8.935 8.935 9.159 -0.224 18345
1733 1 12 . 1 1 34 34 CYS N N 34 120.200 120.200 118.548 1.652 18345
1734 1 12 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.129 0.306 18345
1735 1 12 . 1 1 34 34 CYS CB C 34 36.700 36.700 29.694 7.006 18345
1736 1 12 . 1 1 34 34 CYS H H 34 8.831 8.831 8.414 0.417 18345
1737 1 12 . 1 1 35 35 ARG N N 35 121.700 121.700 125.567 -3.867 18345
1738 1 12 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.666 0.024 18345
1739 1 12 . 1 1 35 35 ARG H H 35 9.507 9.507 8.554 0.953 18345
1740 1 12 . 1 1 36 36 GLY N N 36 109.200 109.200 114.974 -5.774 18345
1741 1 12 . 1 1 36 36 GLY H H 36 8.466 8.466 8.715 -0.249 18345
1742 1 12 . 1 1 37 37 PHE N N 37 121.700 121.700 118.704 2.996 18345
1743 1 12 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.659 -0.238 18345
1744 1 12 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.167 -0.567 18345
1745 1 12 . 1 1 37 37 PHE H H 37 8.530 8.530 8.062 0.468 18345
1746 1 12 . 1 1 38 38 ARG N N 38 118.500 118.500 122.298 -3.798 18345
1747 1 12 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.212 -0.417 18345
1748 1 12 . 1 1 38 38 ARG H H 38 8.023 8.023 8.387 -0.364 18345
1749 1 12 . 1 1 39 39 ARG N N 39 117.500 117.500 117.354 0.146 18345
1750 1 12 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.324 -0.162 18345
1751 1 12 . 1 1 39 39 ARG H H 39 8.222 8.222 8.400 -0.178 18345
1752 1 12 . 1 1 40 40 ARG N N 40 122.500 122.500 122.628 -0.128 18345
1753 1 12 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.519 0.073 18345
1754 1 12 . 1 1 40 40 ARG H H 40 8.292 8.292 8.072 0.220 18345
1755 1 12 . 1 1 41 41 CYS N N 41 120.100 120.100 121.686 -1.586 18345
1756 1 12 . 1 1 41 41 CYS HA H 41 4.717 4.717 5.254 -0.537 18345
1757 1 12 . 1 1 41 41 CYS CB C 41 35.200 35.200 30.446 4.754 18345
1758 1 12 . 1 1 41 41 CYS H H 41 9.320 9.320 8.616 0.704 18345
1759 1 12 . 1 1 42 42 PHE N N 42 130.000 130.000 123.295 6.705 18345
1760 1 12 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.264 -0.779 18345
1761 1 12 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.287 -1.787 18345
1762 1 12 . 1 1 42 42 PHE H H 42 8.910 8.910 9.004 -0.094 18345
1763 1 12 . 1 1 43 43 CYS N N 43 120.900 120.900 122.603 -1.703 18345
1764 1 12 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.438 -0.046 18345
1765 1 12 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.919 5.281 18345
1766 1 12 . 1 1 43 43 CYS H H 43 8.819 8.819 9.083 -0.264 18345
1767 1 12 . 1 1 44 44 THR N N 44 115.200 115.200 115.948 -0.748 18345
1768 1 12 . 1 1 44 44 THR HA H 44 5.029 5.029 5.579 -0.550 18345
1769 1 12 . 1 1 44 44 THR H H 44 8.420 8.420 9.002 -0.582 18345
1770 1 12 . 1 1 45 45 THR N N 45 116.900 116.900 116.847 0.053 18345
1771 1 12 . 1 1 45 45 THR HA H 45 4.849 4.849 4.924 -0.075 18345
1772 1 12 . 1 1 45 45 THR H H 45 8.538 8.538 8.940 -0.402 18345
1773 1 12 . 1 1 46 46 HIS N N 46 121.800 121.800 120.447 1.353 18345
1774 1 12 . 1 1 46 46 HIS HA H 46 5.071 5.071 5.300 -0.229 18345
1775 1 12 . 1 1 46 46 HIS CB C 46 28.700 28.700 28.733 -0.032 18345
1776 1 12 . 1 1 46 46 HIS H H 46 8.548 8.548 8.728 -0.180 18345
1777 1 13 . 1 1 2 2 THR N N 2 118.700 118.700 119.267 -0.567 18345
1778 1 13 . 1 1 2 2 THR HA H 2 4.847 4.847 4.605 0.242 18345
1779 1 13 . 1 1 2 2 THR H H 2 8.842 8.842 8.209 0.633 18345
1780 1 13 . 1 1 3 3 CYS N N 3 125.400 125.400 126.038 -0.638 18345
1781 1 13 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.659 0.306 18345
1782 1 13 . 1 1 3 3 CYS CB C 3 41.700 41.700 26.985 14.715 18345
1783 1 13 . 1 1 3 3 CYS H H 3 8.950 8.950 8.781 0.169 18345
1784 1 13 . 1 1 4 4 GLU N N 4 120.200 120.200 126.172 -5.972 18345
1785 1 13 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.415 0.155 18345
1786 1 13 . 1 1 4 4 GLU H H 4 8.550 8.550 8.764 -0.214 18345
1787 1 13 . 1 1 5 5 SER N N 5 116.000 116.000 119.367 -3.367 18345
1788 1 13 . 1 1 5 5 SER HA H 5 4.660 4.660 4.827 -0.167 18345
1789 1 13 . 1 1 5 5 SER H H 5 8.748 8.748 9.150 -0.402 18345
1790 1 13 . 1 1 6 6 GLN N N 6 127.200 127.200 120.215 6.985 18345
1791 1 13 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.073 -0.715 18345
1792 1 13 . 1 1 6 6 GLN H H 6 8.993 8.993 8.441 0.552 18345
1793 1 13 . 1 1 7 7 SER N N 7 119.400 119.400 120.756 -1.356 18345
1794 1 13 . 1 1 7 7 SER HA H 7 4.291 4.291 4.647 -0.356 18345
1795 1 13 . 1 1 7 7 SER H H 7 8.165 8.165 8.257 -0.092 18345
1796 1 13 . 1 1 8 8 HIS N N 8 128.400 128.400 122.728 5.672 18345
1797 1 13 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.790 0.018 18345
1798 1 13 . 1 1 8 8 HIS CB C 8 29.100 29.100 29.541 -0.442 18345
1799 1 13 . 1 1 8 8 HIS H H 8 10.500 10.500 8.359 2.141 18345
1800 1 13 . 1 1 9 9 LYS N N 9 119.100 119.100 119.519 -0.419 18345
1801 1 13 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.095 0.189 18345
1802 1 13 . 1 1 9 9 LYS H H 9 8.401 8.401 7.759 0.642 18345
1803 1 13 . 1 1 10 10 PHE N N 10 121.700 121.700 120.815 0.885 18345
1804 1 13 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.398 -0.434 18345
1805 1 13 . 1 1 10 10 PHE CB C 10 39.000 39.000 40.426 -1.426 18345
1806 1 13 . 1 1 10 10 PHE H H 10 8.324 8.324 7.630 0.694 18345
1807 1 13 . 1 1 11 11 LYS N N 11 129.000 129.000 126.027 2.973 18345
1808 1 13 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.063 0.569 18345
1809 1 13 . 1 1 11 11 LYS CB C 11 35.100 35.100 30.068 5.032 18345
1810 1 13 . 1 1 11 11 LYS H H 11 7.905 7.905 7.514 0.391 18345
1811 1 13 . 1 1 12 12 GLY N N 12 110.000 110.000 112.462 -2.462 18345
1812 1 13 . 1 1 12 12 GLY H H 12 8.425 8.425 8.185 0.240 18345
1813 1 13 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.665 -0.135 18345
1814 1 13 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.513 -0.613 18345
1815 1 13 . 1 1 14 14 CYS N N 14 125.200 125.200 120.220 4.980 18345
1816 1 13 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.321 0.407 18345
1817 1 13 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.995 8.105 18345
1818 1 13 . 1 1 14 14 CYS H H 14 8.626 8.626 8.379 0.247 18345
1819 1 13 . 1 1 15 15 ALA N N 15 130.100 130.100 130.032 0.068 18345
1820 1 13 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.324 0.262 18345
1821 1 13 . 1 1 15 15 ALA H H 15 8.735 8.735 8.596 0.139 18345
1822 1 13 . 1 1 16 16 SER N N 16 112.400 112.400 112.696 -0.296 18345
1823 1 13 . 1 1 16 16 SER HA H 16 4.812 4.812 4.558 0.254 18345
1824 1 13 . 1 1 16 16 SER H H 16 7.673 7.673 7.617 0.056 18345
1825 1 13 . 1 1 17 17 ASP N N 17 130.800 130.800 130.551 0.249 18345
1826 1 13 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.268 0.072 18345
1827 1 13 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.468 -0.268 18345
1828 1 13 . 1 1 17 17 ASP H H 17 9.211 9.211 8.840 0.371 18345
1829 1 13 . 1 1 18 18 HIS N N 18 117.100 117.100 120.254 -3.154 18345
1830 1 13 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.240 0.191 18345
1831 1 13 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.219 -2.119 18345
1832 1 13 . 1 1 18 18 HIS H H 18 8.714 8.714 8.043 0.671 18345
1833 1 13 . 1 1 19 19 ASN N N 19 119.300 119.300 118.166 1.134 18345
1834 1 13 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.484 0.106 18345
1835 1 13 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.551 -0.351 18345
1836 1 13 . 1 1 19 19 ASN H H 19 8.001 8.001 7.804 0.197 18345
1837 1 13 . 1 1 20 20 CYS N N 20 117.500 117.500 119.972 -2.472 18345
1838 1 13 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.578 0.933 18345
1839 1 13 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.034 10.366 18345
1840 1 13 . 1 1 20 20 CYS H H 20 7.646 7.646 8.008 -0.362 18345
1841 1 13 . 1 1 21 21 ALA N N 21 121.700 121.700 123.051 -1.351 18345
1842 1 13 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.793 -0.216 18345
1843 1 13 . 1 1 21 21 ALA H H 21 8.851 8.851 8.383 0.468 18345
1844 1 13 . 1 1 22 22 SER N N 22 112.200 112.200 114.657 -2.457 18345
1845 1 13 . 1 1 22 22 SER HA H 22 4.212 4.212 4.250 -0.038 18345
1846 1 13 . 1 1 22 22 SER H H 22 8.040 8.040 7.880 0.160 18345
1847 1 13 . 1 1 23 23 VAL N N 23 123.400 123.400 122.866 0.534 18345
1848 1 13 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.627 0.215 18345
1849 1 13 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.700 0.300 18345
1850 1 13 . 1 1 23 23 VAL H H 23 7.940 7.940 8.426 -0.486 18345
1851 1 13 . 1 1 24 24 CYS N N 24 121.400 121.400 119.288 2.112 18345
1852 1 13 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.136 0.578 18345
1853 1 13 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.548 12.852 18345
1854 1 13 . 1 1 24 24 CYS H H 24 9.188 9.188 8.108 1.080 18345
1855 1 13 . 1 1 25 25 GLN N N 25 120.500 120.500 118.532 1.968 18345
1856 1 13 . 1 1 25 25 GLN CB C 25 31.100 31.100 29.081 2.019 18345
1857 1 13 . 1 1 25 25 GLN H H 25 8.414 8.414 8.460 -0.046 18345
1858 1 13 . 1 1 26 26 THR N N 26 114.500 114.500 110.657 3.843 18345
1859 1 13 . 1 1 26 26 THR HA H 26 4.527 4.527 4.147 0.380 18345
1860 1 13 . 1 1 26 26 THR H H 26 8.084 8.084 7.869 0.215 18345
1861 1 13 . 1 1 27 27 GLU N N 27 122.100 122.100 121.556 0.544 18345
1862 1 13 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.141 0.300 18345
1863 1 13 . 1 1 27 27 GLU H H 27 7.705 7.705 8.088 -0.383 18345
1864 1 13 . 1 1 28 28 ARG N N 28 109.500 109.500 114.586 -5.086 18345
1865 1 13 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.519 -0.596 18345
1866 1 13 . 1 1 28 28 ARG H H 28 7.817 7.817 7.730 0.087 18345
1867 1 13 . 1 1 29 29 PHE N N 29 117.700 117.700 121.812 -4.112 18345
1868 1 13 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.386 0.600 18345
1869 1 13 . 1 1 29 29 PHE H H 29 7.945 7.945 8.752 -0.807 18345
1870 1 13 . 1 1 30 30 SER N N 30 113.100 113.100 123.344 -10.244 18345
1871 1 13 . 1 1 30 30 SER HA H 30 4.590 4.590 4.334 0.256 18345
1872 1 13 . 1 1 30 30 SER H H 30 8.660 8.660 7.619 1.041 18345
1873 1 13 . 1 1 31 31 GLY N N 31 107.500 107.500 110.868 -3.368 18345
1874 1 13 . 1 1 31 31 GLY H H 31 7.746 7.746 8.235 -0.489 18345
1875 1 13 . 1 1 32 32 GLY N N 32 107.300 107.300 106.246 1.054 18345
1876 1 13 . 1 1 32 32 GLY H H 32 7.985 7.985 8.050 -0.065 18345
1877 1 13 . 1 1 33 33 ARG N N 33 115.400 115.400 120.598 -5.198 18345
1878 1 13 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.624 -0.211 18345
1879 1 13 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.485 -1.685 18345
1880 1 13 . 1 1 33 33 ARG H H 33 8.935 8.935 8.516 0.419 18345
1881 1 13 . 1 1 34 34 CYS N N 34 120.200 120.200 121.524 -1.324 18345
1882 1 13 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.619 -0.184 18345
1883 1 13 . 1 1 34 34 CYS CB C 34 36.700 36.700 28.433 8.267 18345
1884 1 13 . 1 1 34 34 CYS H H 34 8.831 8.831 8.802 0.029 18345
1885 1 13 . 1 1 35 35 ARG N N 35 121.700 121.700 125.795 -4.095 18345
1886 1 13 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.408 0.282 18345
1887 1 13 . 1 1 35 35 ARG H H 35 9.507 9.507 9.004 0.503 18345
1888 1 13 . 1 1 36 36 GLY N N 36 109.200 109.200 113.103 -3.903 18345
1889 1 13 . 1 1 36 36 GLY H H 36 8.466 8.466 8.806 -0.340 18345
1890 1 13 . 1 1 37 37 PHE N N 37 121.700 121.700 119.937 1.763 18345
1891 1 13 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.076 0.345 18345
1892 1 13 . 1 1 37 37 PHE CB C 37 38.600 38.600 38.790 -0.190 18345
1893 1 13 . 1 1 37 37 PHE H H 37 8.530 8.530 8.556 -0.026 18345
1894 1 13 . 1 1 38 38 ARG N N 38 118.500 118.500 112.926 5.574 18345
1895 1 13 . 1 1 38 38 ARG HA H 38 3.795 3.795 3.982 -0.187 18345
1896 1 13 . 1 1 38 38 ARG H H 38 8.023 8.023 8.183 -0.160 18345
1897 1 13 . 1 1 39 39 ARG N N 39 117.500 117.500 116.832 0.668 18345
1898 1 13 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.238 -0.076 18345
1899 1 13 . 1 1 39 39 ARG H H 39 8.222 8.222 7.646 0.576 18345
1900 1 13 . 1 1 40 40 ARG N N 40 122.500 122.500 117.785 4.715 18345
1901 1 13 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.716 -0.124 18345
1902 1 13 . 1 1 40 40 ARG H H 40 8.292 8.292 7.856 0.436 18345
1903 1 13 . 1 1 41 41 CYS N N 41 120.100 120.100 124.560 -4.460 18345
1904 1 13 . 1 1 41 41 CYS HA H 41 4.717 4.717 5.219 -0.502 18345
1905 1 13 . 1 1 41 41 CYS CB C 41 35.200 35.200 26.304 8.896 18345
1906 1 13 . 1 1 41 41 CYS H H 41 9.320 9.320 9.016 0.304 18345
1907 1 13 . 1 1 42 42 PHE N N 42 130.000 130.000 127.506 2.494 18345
1908 1 13 . 1 1 42 42 PHE HA H 42 4.485 4.485 4.923 -0.438 18345
1909 1 13 . 1 1 42 42 PHE CB C 42 41.500 41.500 44.197 -2.697 18345
1910 1 13 . 1 1 42 42 PHE H H 42 8.910 8.910 9.135 -0.225 18345
1911 1 13 . 1 1 43 43 CYS N N 43 120.900 120.900 119.790 1.110 18345
1912 1 13 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.424 -0.032 18345
1913 1 13 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.028 6.172 18345
1914 1 13 . 1 1 43 43 CYS H H 43 8.819 8.819 8.876 -0.057 18345
1915 1 13 . 1 1 44 44 THR N N 44 115.200 115.200 117.816 -2.616 18345
1916 1 13 . 1 1 44 44 THR HA H 44 5.029 5.029 5.336 -0.307 18345
1917 1 13 . 1 1 44 44 THR H H 44 8.420 8.420 8.868 -0.448 18345
1918 1 13 . 1 1 45 45 THR N N 45 116.900 116.900 117.592 -0.692 18345
1919 1 13 . 1 1 45 45 THR HA H 45 4.849 4.849 4.590 0.259 18345
1920 1 13 . 1 1 45 45 THR H H 45 8.538 8.538 8.886 -0.347 18345
1921 1 13 . 1 1 46 46 HIS N N 46 121.800 121.800 121.838 -0.038 18345
1922 1 13 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.786 0.285 18345
1923 1 13 . 1 1 46 46 HIS CB C 46 28.700 28.700 29.492 -0.792 18345
1924 1 13 . 1 1 46 46 HIS H H 46 8.548 8.548 8.511 0.037 18345
1925 1 14 . 1 1 2 2 THR N N 2 118.700 118.700 123.212 -4.512 18345
1926 1 14 . 1 1 2 2 THR HA H 2 4.847 4.847 4.850 -0.003 18345
1927 1 14 . 1 1 2 2 THR H H 2 8.842 8.842 8.317 0.525 18345
1928 1 14 . 1 1 3 3 CYS N N 3 125.400 125.400 126.336 -0.936 18345
1929 1 14 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.797 0.168 18345
1930 1 14 . 1 1 3 3 CYS CB C 3 41.700 41.700 29.669 12.031 18345
1931 1 14 . 1 1 3 3 CYS H H 3 8.950 8.950 9.035 -0.085 18345
1932 1 14 . 1 1 4 4 GLU N N 4 120.200 120.200 124.402 -4.202 18345
1933 1 14 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.530 0.040 18345
1934 1 14 . 1 1 4 4 GLU H H 4 8.550 8.550 8.727 -0.177 18345
1935 1 14 . 1 1 5 5 SER N N 5 116.000 116.000 119.724 -3.724 18345
1936 1 14 . 1 1 5 5 SER HA H 5 4.660 4.660 4.789 -0.129 18345
1937 1 14 . 1 1 5 5 SER H H 5 8.748 8.748 8.889 -0.141 18345
1938 1 14 . 1 1 6 6 GLN N N 6 127.200 127.200 119.687 7.513 18345
1939 1 14 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.051 -0.693 18345
1940 1 14 . 1 1 6 6 GLN H H 6 8.993 8.993 8.373 0.620 18345
1941 1 14 . 1 1 7 7 SER N N 7 119.400 119.400 118.520 0.880 18345
1942 1 14 . 1 1 7 7 SER HA H 7 4.291 4.291 4.671 -0.380 18345
1943 1 14 . 1 1 7 7 SER H H 7 8.165 8.165 8.595 -0.430 18345
1944 1 14 . 1 1 8 8 HIS N N 8 128.400 128.400 127.717 0.683 18345
1945 1 14 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.542 0.266 18345
1946 1 14 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.201 -1.101 18345
1947 1 14 . 1 1 8 8 HIS H H 8 10.500 10.500 8.649 1.851 18345
1948 1 14 . 1 1 9 9 LYS N N 9 119.100 119.100 118.795 0.305 18345
1949 1 14 . 1 1 9 9 LYS HA H 9 4.284 4.284 3.990 0.294 18345
1950 1 14 . 1 1 9 9 LYS H H 9 8.401 8.401 8.206 0.195 18345
1951 1 14 . 1 1 10 10 PHE N N 10 121.700 121.700 121.424 0.276 18345
1952 1 14 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.297 -0.333 18345
1953 1 14 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.597 -0.597 18345
1954 1 14 . 1 1 10 10 PHE H H 10 8.324 8.324 7.500 0.824 18345
1955 1 14 . 1 1 11 11 LYS N N 11 129.000 129.000 128.026 0.974 18345
1956 1 14 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.288 0.344 18345
1957 1 14 . 1 1 11 11 LYS CB C 11 35.100 35.100 31.959 3.141 18345
1958 1 14 . 1 1 11 11 LYS H H 11 7.905 7.905 7.707 0.198 18345
1959 1 14 . 1 1 12 12 GLY N N 12 110.000 110.000 113.262 -3.262 18345
1960 1 14 . 1 1 12 12 GLY H H 12 8.425 8.425 7.838 0.587 18345
1961 1 14 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.931 -0.401 18345
1962 1 14 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.333 -0.433 18345
1963 1 14 . 1 1 14 14 CYS N N 14 125.200 125.200 119.700 5.500 18345
1964 1 14 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.393 0.335 18345
1965 1 14 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.642 8.458 18345
1966 1 14 . 1 1 14 14 CYS H H 14 8.626 8.626 8.665 -0.039 18345
1967 1 14 . 1 1 15 15 ALA N N 15 130.100 130.100 126.692 3.408 18345
1968 1 14 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.142 0.444 18345
1969 1 14 . 1 1 15 15 ALA H H 15 8.735 8.735 8.497 0.238 18345
1970 1 14 . 1 1 16 16 SER N N 16 112.400 112.400 114.637 -2.237 18345
1971 1 14 . 1 1 16 16 SER HA H 16 4.812 4.812 4.769 0.043 18345
1972 1 14 . 1 1 16 16 SER H H 16 7.673 7.673 7.919 -0.246 18345
1973 1 14 . 1 1 17 17 ASP N N 17 130.800 130.800 128.669 2.131 18345
1974 1 14 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.224 0.116 18345
1975 1 14 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.437 -0.237 18345
1976 1 14 . 1 1 17 17 ASP H H 17 9.211 9.211 9.060 0.151 18345
1977 1 14 . 1 1 18 18 HIS N N 18 117.100 117.100 119.561 -2.461 18345
1978 1 14 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.234 0.197 18345
1979 1 14 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.002 -1.902 18345
1980 1 14 . 1 1 18 18 HIS H H 18 8.714 8.714 8.449 0.265 18345
1981 1 14 . 1 1 19 19 ASN N N 19 119.300 119.300 118.287 1.013 18345
1982 1 14 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.529 0.061 18345
1983 1 14 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.458 -0.258 18345
1984 1 14 . 1 1 19 19 ASN H H 19 8.001 8.001 8.447 -0.446 18345
1985 1 14 . 1 1 20 20 CYS N N 20 117.500 117.500 119.736 -2.236 18345
1986 1 14 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.800 0.711 18345
1987 1 14 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.179 10.221 18345
1988 1 14 . 1 1 20 20 CYS H H 20 7.646 7.646 8.139 -0.493 18345
1989 1 14 . 1 1 21 21 ALA N N 21 121.700 121.700 122.807 -1.107 18345
1990 1 14 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.910 -0.333 18345
1991 1 14 . 1 1 21 21 ALA H H 21 8.851 8.851 8.291 0.560 18345
1992 1 14 . 1 1 22 22 SER N N 22 112.200 112.200 114.345 -2.145 18345
1993 1 14 . 1 1 22 22 SER HA H 22 4.212 4.212 4.077 0.135 18345
1994 1 14 . 1 1 22 22 SER H H 22 8.040 8.040 7.913 0.127 18345
1995 1 14 . 1 1 23 23 VAL N N 23 123.400 123.400 122.424 0.976 18345
1996 1 14 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.734 0.108 18345
1997 1 14 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.392 0.608 18345
1998 1 14 . 1 1 23 23 VAL H H 23 7.940 7.940 8.564 -0.624 18345
1999 1 14 . 1 1 24 24 CYS N N 24 121.400 121.400 120.643 0.757 18345
2000 1 14 . 1 1 24 24 CYS HA H 24 4.714 4.714 3.997 0.717 18345
2001 1 14 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.692 12.708 18345
2002 1 14 . 1 1 24 24 CYS H H 24 9.188 9.188 8.332 0.856 18345
2003 1 14 . 1 1 25 25 GLN N N 25 120.500 120.500 118.285 2.215 18345
2004 1 14 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.606 2.494 18345
2005 1 14 . 1 1 25 25 GLN H H 25 8.414 8.414 8.426 -0.012 18345
2006 1 14 . 1 1 26 26 THR N N 26 114.500 114.500 108.879 5.621 18345
2007 1 14 . 1 1 26 26 THR HA H 26 4.527 4.527 4.144 0.383 18345
2008 1 14 . 1 1 26 26 THR H H 26 8.084 8.084 7.989 0.095 18345
2009 1 14 . 1 1 27 27 GLU N N 27 122.100 122.100 122.085 0.015 18345
2010 1 14 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.158 0.283 18345
2011 1 14 . 1 1 27 27 GLU H H 27 7.705 7.705 8.074 -0.369 18345
2012 1 14 . 1 1 28 28 ARG N N 28 109.500 109.500 116.694 -7.194 18345
2013 1 14 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.220 -0.297 18345
2014 1 14 . 1 1 28 28 ARG H H 28 7.817 7.817 7.871 -0.054 18345
2015 1 14 . 1 1 29 29 PHE N N 29 117.700 117.700 120.619 -2.919 18345
2016 1 14 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.638 0.348 18345
2017 1 14 . 1 1 29 29 PHE H H 29 7.945 7.945 8.614 -0.669 18345
2018 1 14 . 1 1 30 30 SER N N 30 113.100 113.100 116.818 -3.718 18345
2019 1 14 . 1 1 30 30 SER HA H 30 4.590 4.590 4.888 -0.298 18345
2020 1 14 . 1 1 30 30 SER H H 30 8.660 8.660 7.852 0.808 18345
2021 1 14 . 1 1 31 31 GLY N N 31 107.500 107.500 111.284 -3.784 18345
2022 1 14 . 1 1 31 31 GLY H H 31 7.746 7.746 8.580 -0.834 18345
2023 1 14 . 1 1 32 32 GLY N N 32 107.300 107.300 110.556 -3.256 18345
2024 1 14 . 1 1 32 32 GLY H H 32 7.985 7.985 8.098 -0.113 18345
2025 1 14 . 1 1 33 33 ARG N N 33 115.400 115.400 121.005 -5.605 18345
2026 1 14 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.699 -0.286 18345
2027 1 14 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.903 -2.103 18345
2028 1 14 . 1 1 33 33 ARG H H 33 8.935 8.935 8.941 -0.006 18345
2029 1 14 . 1 1 34 34 CYS N N 34 120.200 120.200 118.512 1.688 18345
2030 1 14 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.403 0.032 18345
2031 1 14 . 1 1 34 34 CYS CB C 34 36.700 36.700 28.127 8.573 18345
2032 1 14 . 1 1 34 34 CYS H H 34 8.831 8.831 8.462 0.369 18345
2033 1 14 . 1 1 35 35 ARG N N 35 121.700 121.700 125.258 -3.558 18345
2034 1 14 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.482 0.208 18345
2035 1 14 . 1 1 35 35 ARG H H 35 9.507 9.507 9.150 0.357 18345
2036 1 14 . 1 1 36 36 GLY N N 36 109.200 109.200 112.669 -3.469 18345
2037 1 14 . 1 1 36 36 GLY H H 36 8.466 8.466 8.009 0.457 18345
2038 1 14 . 1 1 37 37 PHE N N 37 121.700 121.700 119.903 1.797 18345
2039 1 14 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.448 -0.027 18345
2040 1 14 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.148 -0.548 18345
2041 1 14 . 1 1 37 37 PHE H H 37 8.530 8.530 8.499 0.031 18345
2042 1 14 . 1 1 38 38 ARG N N 38 118.500 118.500 118.375 0.125 18345
2043 1 14 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.398 -0.603 18345
2044 1 14 . 1 1 38 38 ARG H H 38 8.023 8.023 8.009 0.014 18345
2045 1 14 . 1 1 39 39 ARG N N 39 117.500 117.500 119.309 -1.809 18345
2046 1 14 . 1 1 39 39 ARG HA H 39 4.162 4.162 3.832 0.330 18345
2047 1 14 . 1 1 39 39 ARG H H 39 8.222 8.222 7.678 0.544 18345
2048 1 14 . 1 1 40 40 ARG N N 40 122.500 122.500 120.016 2.484 18345
2049 1 14 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.560 0.032 18345
2050 1 14 . 1 1 40 40 ARG H H 40 8.292 8.292 7.760 0.532 18345
2051 1 14 . 1 1 41 41 CYS N N 41 120.100 120.100 124.806 -4.706 18345
2052 1 14 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.757 -0.040 18345
2053 1 14 . 1 1 41 41 CYS CB C 41 35.200 35.200 25.812 9.388 18345
2054 1 14 . 1 1 41 41 CYS H H 41 9.320 9.320 9.006 0.314 18345
2055 1 14 . 1 1 42 42 PHE N N 42 130.000 130.000 124.854 5.146 18345
2056 1 14 . 1 1 42 42 PHE HA H 42 4.485 4.485 4.957 -0.472 18345
2057 1 14 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.082 -1.582 18345
2058 1 14 . 1 1 42 42 PHE H H 42 8.910 8.910 9.240 -0.330 18345
2059 1 14 . 1 1 43 43 CYS N N 43 120.900 120.900 120.798 0.102 18345
2060 1 14 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.739 -0.347 18345
2061 1 14 . 1 1 43 43 CYS CB C 43 36.200 36.200 31.581 4.619 18345
2062 1 14 . 1 1 43 43 CYS H H 43 8.819 8.819 8.993 -0.174 18345
2063 1 14 . 1 1 44 44 THR N N 44 115.200 115.200 115.634 -0.434 18345
2064 1 14 . 1 1 44 44 THR HA H 44 5.029 5.029 5.427 -0.398 18345
2065 1 14 . 1 1 44 44 THR H H 44 8.420 8.420 9.039 -0.619 18345
2066 1 14 . 1 1 45 45 THR N N 45 116.900 116.900 117.613 -0.713 18345
2067 1 14 . 1 1 45 45 THR HA H 45 4.849 4.849 4.728 0.121 18345
2068 1 14 . 1 1 45 45 THR H H 45 8.538 8.538 9.010 -0.472 18345
2069 1 14 . 1 1 46 46 HIS N N 46 121.800 121.800 119.992 1.808 18345
2070 1 14 . 1 1 46 46 HIS HA H 46 5.071 5.071 5.203 -0.132 18345
2071 1 14 . 1 1 46 46 HIS CB C 46 28.700 28.700 30.910 -2.210 18345
2072 1 14 . 1 1 46 46 HIS H H 46 8.548 8.548 8.632 -0.083 18345
2073 1 15 . 1 1 2 2 THR N N 2 118.700 118.700 118.643 0.057 18345
2074 1 15 . 1 1 2 2 THR HA H 2 4.847 4.847 4.839 0.008 18345
2075 1 15 . 1 1 2 2 THR H H 2 8.842 8.842 8.354 0.488 18345
2076 1 15 . 1 1 3 3 CYS N N 3 125.400 125.400 125.847 -0.447 18345
2077 1 15 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.713 0.252 18345
2078 1 15 . 1 1 3 3 CYS CB C 3 41.700 41.700 28.246 13.454 18345
2079 1 15 . 1 1 3 3 CYS H H 3 8.950 8.950 9.157 -0.207 18345
2080 1 15 . 1 1 4 4 GLU N N 4 120.200 120.200 126.724 -6.524 18345
2081 1 15 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.346 0.224 18345
2082 1 15 . 1 1 4 4 GLU H H 4 8.550 8.550 8.858 -0.308 18345
2083 1 15 . 1 1 5 5 SER N N 5 116.000 116.000 120.873 -4.873 18345
2084 1 15 . 1 1 5 5 SER HA H 5 4.660 4.660 4.932 -0.272 18345
2085 1 15 . 1 1 5 5 SER H H 5 8.748 8.748 8.968 -0.220 18345
2086 1 15 . 1 1 6 6 GLN N N 6 127.200 127.200 119.923 7.277 18345
2087 1 15 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.464 -1.106 18345
2088 1 15 . 1 1 6 6 GLN H H 6 8.993 8.993 8.408 0.585 18345
2089 1 15 . 1 1 7 7 SER N N 7 119.400 119.400 120.858 -1.458 18345
2090 1 15 . 1 1 7 7 SER HA H 7 4.291 4.291 4.690 -0.399 18345
2091 1 15 . 1 1 7 7 SER H H 7 8.165 8.165 8.449 -0.284 18345
2092 1 15 . 1 1 8 8 HIS N N 8 128.400 128.400 124.546 3.854 18345
2093 1 15 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.570 0.238 18345
2094 1 15 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.247 -1.147 18345
2095 1 15 . 1 1 8 8 HIS H H 8 10.500 10.500 8.593 1.907 18345
2096 1 15 . 1 1 9 9 LYS N N 9 119.100 119.100 118.811 0.289 18345
2097 1 15 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.063 0.221 18345
2098 1 15 . 1 1 9 9 LYS H H 9 8.401 8.401 8.247 0.154 18345
2099 1 15 . 1 1 10 10 PHE N N 10 121.700 121.700 121.567 0.133 18345
2100 1 15 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.379 -0.415 18345
2101 1 15 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.606 -0.606 18345
2102 1 15 . 1 1 10 10 PHE H H 10 8.324 8.324 7.592 0.732 18345
2103 1 15 . 1 1 11 11 LYS N N 11 129.000 129.000 129.568 -0.568 18345
2104 1 15 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.279 0.353 18345
2105 1 15 . 1 1 11 11 LYS CB C 11 35.100 35.100 32.447 2.653 18345
2106 1 15 . 1 1 11 11 LYS H H 11 7.905 7.905 8.077 -0.172 18345
2107 1 15 . 1 1 12 12 GLY N N 12 110.000 110.000 114.953 -4.953 18345
2108 1 15 . 1 1 12 12 GLY H H 12 8.425 8.425 8.105 0.320 18345
2109 1 15 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.653 -0.123 18345
2110 1 15 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.685 -0.785 18345
2111 1 15 . 1 1 14 14 CYS N N 14 125.200 125.200 119.898 5.302 18345
2112 1 15 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.113 0.615 18345
2113 1 15 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.591 8.509 18345
2114 1 15 . 1 1 14 14 CYS H H 14 8.626 8.626 8.380 0.246 18345
2115 1 15 . 1 1 15 15 ALA N N 15 130.100 130.100 127.595 2.505 18345
2116 1 15 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.175 0.411 18345
2117 1 15 . 1 1 15 15 ALA H H 15 8.735 8.735 8.315 0.420 18345
2118 1 15 . 1 1 16 16 SER N N 16 112.400 112.400 112.529 -0.129 18345
2119 1 15 . 1 1 16 16 SER HA H 16 4.812 4.812 4.676 0.136 18345
2120 1 15 . 1 1 16 16 SER H H 16 7.673 7.673 7.927 -0.254 18345
2121 1 15 . 1 1 17 17 ASP N N 17 130.800 130.800 130.522 0.278 18345
2122 1 15 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.319 0.021 18345
2123 1 15 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.881 -0.681 18345
2124 1 15 . 1 1 17 17 ASP H H 17 9.211 9.211 8.980 0.231 18345
2125 1 15 . 1 1 18 18 HIS N N 18 117.100 117.100 119.125 -2.025 18345
2126 1 15 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.299 0.132 18345
2127 1 15 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.112 -2.012 18345
2128 1 15 . 1 1 18 18 HIS H H 18 8.714 8.714 7.848 0.866 18345
2129 1 15 . 1 1 19 19 ASN N N 19 119.300 119.300 117.602 1.698 18345
2130 1 15 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.484 0.106 18345
2131 1 15 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.565 -0.365 18345
2132 1 15 . 1 1 19 19 ASN H H 19 8.001 8.001 7.869 0.132 18345
2133 1 15 . 1 1 20 20 CYS N N 20 117.500 117.500 119.717 -2.217 18345
2134 1 15 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.719 0.792 18345
2135 1 15 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.170 10.230 18345
2136 1 15 . 1 1 20 20 CYS H H 20 7.646 7.646 8.103 -0.457 18345
2137 1 15 . 1 1 21 21 ALA N N 21 121.700 121.700 122.983 -1.283 18345
2138 1 15 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.827 -0.250 18345
2139 1 15 . 1 1 21 21 ALA H H 21 8.851 8.851 8.310 0.541 18345
2140 1 15 . 1 1 22 22 SER N N 22 112.200 112.200 114.627 -2.427 18345
2141 1 15 . 1 1 22 22 SER HA H 22 4.212 4.212 4.317 -0.105 18345
2142 1 15 . 1 1 22 22 SER H H 22 8.040 8.040 8.065 -0.025 18345
2143 1 15 . 1 1 23 23 VAL N N 23 123.400 123.400 123.353 0.047 18345
2144 1 15 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.763 0.079 18345
2145 1 15 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.037 0.963 18345
2146 1 15 . 1 1 23 23 VAL H H 23 7.940 7.940 8.190 -0.250 18345
2147 1 15 . 1 1 24 24 CYS N N 24 121.400 121.400 118.874 2.526 18345
2148 1 15 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.068 0.646 18345
2149 1 15 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.543 12.857 18345
2150 1 15 . 1 1 24 24 CYS H H 24 9.188 9.188 8.233 0.955 18345
2151 1 15 . 1 1 25 25 GLN N N 25 120.500 120.500 117.604 2.896 18345
2152 1 15 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.832 2.268 18345
2153 1 15 . 1 1 25 25 GLN H H 25 8.414 8.414 8.163 0.251 18345
2154 1 15 . 1 1 26 26 THR N N 26 114.500 114.500 110.137 4.363 18345
2155 1 15 . 1 1 26 26 THR HA H 26 4.527 4.527 4.092 0.435 18345
2156 1 15 . 1 1 26 26 THR H H 26 8.084 8.084 7.927 0.157 18345
2157 1 15 . 1 1 27 27 GLU N N 27 122.100 122.100 122.321 -0.221 18345
2158 1 15 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.143 0.298 18345
2159 1 15 . 1 1 27 27 GLU H H 27 7.705 7.705 8.107 -0.402 18345
2160 1 15 . 1 1 28 28 ARG N N 28 109.500 109.500 115.298 -5.798 18345
2161 1 15 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.216 -0.293 18345
2162 1 15 . 1 1 28 28 ARG H H 28 7.817 7.817 7.675 0.142 18345
2163 1 15 . 1 1 29 29 PHE N N 29 117.700 117.700 120.319 -2.619 18345
2164 1 15 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.464 0.522 18345
2165 1 15 . 1 1 29 29 PHE H H 29 7.945 7.945 8.467 -0.522 18345
2166 1 15 . 1 1 30 30 SER N N 30 113.100 113.100 117.584 -4.484 18345
2167 1 15 . 1 1 30 30 SER HA H 30 4.590 4.590 4.778 -0.188 18345
2168 1 15 . 1 1 30 30 SER H H 30 8.660 8.660 7.965 0.695 18345
2169 1 15 . 1 1 31 31 GLY N N 31 107.500 107.500 111.031 -3.531 18345
2170 1 15 . 1 1 31 31 GLY H H 31 7.746 7.746 8.431 -0.685 18345
2171 1 15 . 1 1 32 32 GLY N N 32 107.300 107.300 106.096 1.204 18345
2172 1 15 . 1 1 32 32 GLY H H 32 7.985 7.985 8.172 -0.187 18345
2173 1 15 . 1 1 33 33 ARG N N 33 115.400 115.400 118.637 -3.237 18345
2174 1 15 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.710 -0.297 18345
2175 1 15 . 1 1 33 33 ARG CB C 33 32.800 32.800 33.254 -0.454 18345
2176 1 15 . 1 1 33 33 ARG H H 33 8.935 8.935 8.961 -0.026 18345
2177 1 15 . 1 1 34 34 CYS N N 34 120.200 120.200 121.891 -1.691 18345
2178 1 15 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.604 -0.169 18345
2179 1 15 . 1 1 34 34 CYS CB C 34 36.700 36.700 27.299 9.401 18345
2180 1 15 . 1 1 34 34 CYS H H 34 8.831 8.831 9.089 -0.258 18345
2181 1 15 . 1 1 35 35 ARG N N 35 121.700 121.700 125.443 -3.743 18345
2182 1 15 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.646 0.044 18345
2183 1 15 . 1 1 35 35 ARG H H 35 9.507 9.507 9.069 0.438 18345
2184 1 15 . 1 1 36 36 GLY N N 36 109.200 109.200 111.206 -2.006 18345
2185 1 15 . 1 1 36 36 GLY H H 36 8.466 8.466 7.901 0.565 18345
2186 1 15 . 1 1 37 37 PHE N N 37 121.700 121.700 120.001 1.699 18345
2187 1 15 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.458 -0.037 18345
2188 1 15 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.173 -0.573 18345
2189 1 15 . 1 1 37 37 PHE H H 37 8.530 8.530 8.245 0.285 18345
2190 1 15 . 1 1 38 38 ARG N N 38 118.500 118.500 118.254 0.246 18345
2191 1 15 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.325 -0.530 18345
2192 1 15 . 1 1 38 38 ARG H H 38 8.023 8.023 8.058 -0.035 18345
2193 1 15 . 1 1 39 39 ARG N N 39 117.500 117.500 117.956 -0.456 18345
2194 1 15 . 1 1 39 39 ARG HA H 39 4.162 4.162 3.950 0.212 18345
2195 1 15 . 1 1 39 39 ARG H H 39 8.222 8.222 7.879 0.343 18345
2196 1 15 . 1 1 40 40 ARG N N 40 122.500 122.500 120.373 2.127 18345
2197 1 15 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.508 0.084 18345
2198 1 15 . 1 1 40 40 ARG H H 40 8.292 8.292 7.770 0.522 18345
2199 1 15 . 1 1 41 41 CYS N N 41 120.100 120.100 123.621 -3.521 18345
2200 1 15 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.571 0.146 18345
2201 1 15 . 1 1 41 41 CYS CB C 41 35.200 35.200 26.068 9.132 18345
2202 1 15 . 1 1 41 41 CYS H H 41 9.320 9.320 8.884 0.436 18345
2203 1 15 . 1 1 42 42 PHE N N 42 130.000 130.000 124.428 5.572 18345
2204 1 15 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.242 -0.757 18345
2205 1 15 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.532 -2.033 18345
2206 1 15 . 1 1 42 42 PHE H H 42 8.910 8.910 9.361 -0.451 18345
2207 1 15 . 1 1 43 43 CYS N N 43 120.900 120.900 121.013 -0.113 18345
2208 1 15 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.442 -0.050 18345
2209 1 15 . 1 1 43 43 CYS CB C 43 36.200 36.200 29.381 6.819 18345
2210 1 15 . 1 1 43 43 CYS H H 43 8.819 8.819 8.865 -0.046 18345
2211 1 15 . 1 1 44 44 THR N N 44 115.200 115.200 117.102 -1.902 18345
2212 1 15 . 1 1 44 44 THR HA H 44 5.029 5.029 5.401 -0.372 18345
2213 1 15 . 1 1 44 44 THR H H 44 8.420 8.420 8.894 -0.474 18345
2214 1 15 . 1 1 45 45 THR N N 45 116.900 116.900 118.188 -1.288 18345
2215 1 15 . 1 1 45 45 THR HA H 45 4.849 4.849 4.721 0.128 18345
2216 1 15 . 1 1 45 45 THR H H 45 8.538 8.538 8.752 -0.214 18345
2217 1 15 . 1 1 46 46 HIS N N 46 121.800 121.800 119.626 2.174 18345
2218 1 15 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.987 0.084 18345
2219 1 15 . 1 1 46 46 HIS CB C 46 28.700 28.700 29.392 -0.692 18345
2220 1 15 . 1 1 46 46 HIS H H 46 8.548 8.548 8.650 -0.102 18345
2221 1 16 . 1 1 2 2 THR N N 2 118.700 118.700 118.965 -0.265 18345
2222 1 16 . 1 1 2 2 THR HA H 2 4.847 4.847 5.008 -0.161 18345
2223 1 16 . 1 1 2 2 THR H H 2 8.842 8.842 8.237 0.605 18345
2224 1 16 . 1 1 3 3 CYS N N 3 125.400 125.400 123.722 1.678 18345
2225 1 16 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.819 0.146 18345
2226 1 16 . 1 1 3 3 CYS CB C 3 41.700 41.700 29.646 12.054 18345
2227 1 16 . 1 1 3 3 CYS H H 3 8.950 8.950 9.189 -0.239 18345
2228 1 16 . 1 1 4 4 GLU N N 4 120.200 120.200 125.102 -4.902 18345
2229 1 16 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.612 -0.042 18345
2230 1 16 . 1 1 4 4 GLU H H 4 8.550 8.550 8.650 -0.100 18345
2231 1 16 . 1 1 5 5 SER N N 5 116.000 116.000 118.456 -2.456 18345
2232 1 16 . 1 1 5 5 SER HA H 5 4.660 4.660 4.907 -0.247 18345
2233 1 16 . 1 1 5 5 SER H H 5 8.748 8.748 8.981 -0.233 18345
2234 1 16 . 1 1 6 6 GLN N N 6 127.200 127.200 120.378 6.822 18345
2235 1 16 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.547 -1.189 18345
2236 1 16 . 1 1 6 6 GLN H H 6 8.993 8.993 8.450 0.543 18345
2237 1 16 . 1 1 7 7 SER N N 7 119.400 119.400 120.560 -1.160 18345
2238 1 16 . 1 1 7 7 SER HA H 7 4.291 4.291 4.715 -0.424 18345
2239 1 16 . 1 1 7 7 SER H H 7 8.165 8.165 8.437 -0.272 18345
2240 1 16 . 1 1 8 8 HIS N N 8 128.400 128.400 126.378 2.022 18345
2241 1 16 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.705 0.103 18345
2242 1 16 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.067 -0.966 18345
2243 1 16 . 1 1 8 8 HIS H H 8 10.500 10.500 8.998 1.502 18345
2244 1 16 . 1 1 9 9 LYS N N 9 119.100 119.100 118.599 0.501 18345
2245 1 16 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.111 0.173 18345
2246 1 16 . 1 1 9 9 LYS H H 9 8.401 8.401 7.565 0.836 18345
2247 1 16 . 1 1 10 10 PHE N N 10 121.700 121.700 119.688 2.012 18345
2248 1 16 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.405 -0.441 18345
2249 1 16 . 1 1 10 10 PHE CB C 10 39.000 39.000 40.353 -1.353 18345
2250 1 16 . 1 1 10 10 PHE H H 10 8.324 8.324 7.811 0.513 18345
2251 1 16 . 1 1 11 11 LYS N N 11 129.000 129.000 123.293 5.707 18345
2252 1 16 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.022 0.610 18345
2253 1 16 . 1 1 11 11 LYS CB C 11 35.100 35.100 29.533 5.567 18345
2254 1 16 . 1 1 11 11 LYS H H 11 7.905 7.905 7.182 0.723 18345
2255 1 16 . 1 1 12 12 GLY N N 12 110.000 110.000 108.686 1.314 18345
2256 1 16 . 1 1 12 12 GLY H H 12 8.425 8.425 7.626 0.799 18345
2257 1 16 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.348 0.182 18345
2258 1 16 . 1 1 13 13 PRO CB C 13 31.900 31.900 30.754 1.146 18345
2259 1 16 . 1 1 14 14 CYS N N 14 125.200 125.200 125.323 -0.123 18345
2260 1 16 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.502 0.226 18345
2261 1 16 . 1 1 14 14 CYS CB C 14 33.100 33.100 27.381 5.719 18345
2262 1 16 . 1 1 14 14 CYS H H 14 8.626 8.626 8.527 0.099 18345
2263 1 16 . 1 1 15 15 ALA N N 15 130.100 130.100 130.453 -0.353 18345
2264 1 16 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.232 0.354 18345
2265 1 16 . 1 1 15 15 ALA H H 15 8.735 8.735 8.632 0.103 18345
2266 1 16 . 1 1 16 16 SER N N 16 112.400 112.400 113.396 -0.996 18345
2267 1 16 . 1 1 16 16 SER HA H 16 4.812 4.812 4.692 0.120 18345
2268 1 16 . 1 1 16 16 SER H H 16 7.673 7.673 7.906 -0.233 18345
2269 1 16 . 1 1 17 17 ASP N N 17 130.800 130.800 128.615 2.185 18345
2270 1 16 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.196 0.144 18345
2271 1 16 . 1 1 17 17 ASP CB C 17 40.200 40.200 41.060 -0.860 18345
2272 1 16 . 1 1 17 17 ASP H H 17 9.211 9.211 9.039 0.172 18345
2273 1 16 . 1 1 18 18 HIS N N 18 117.100 117.100 117.461 -0.361 18345
2274 1 16 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.178 0.254 18345
2275 1 16 . 1 1 18 18 HIS CB C 18 28.100 28.100 29.905 -1.805 18345
2276 1 16 . 1 1 18 18 HIS H H 18 8.714 8.714 8.551 0.163 18345
2277 1 16 . 1 1 19 19 ASN N N 19 119.300 119.300 117.799 1.501 18345
2278 1 16 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.583 0.007 18345
2279 1 16 . 1 1 19 19 ASN CB C 19 38.200 38.200 37.939 0.261 18345
2280 1 16 . 1 1 19 19 ASN H H 19 8.001 8.001 7.646 0.355 18345
2281 1 16 . 1 1 20 20 CYS N N 20 117.500 117.500 119.810 -2.310 18345
2282 1 16 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.494 1.017 18345
2283 1 16 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.005 10.395 18345
2284 1 16 . 1 1 20 20 CYS H H 20 7.646 7.646 7.999 -0.353 18345
2285 1 16 . 1 1 21 21 ALA N N 21 121.700 121.700 123.064 -1.364 18345
2286 1 16 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.783 -0.206 18345
2287 1 16 . 1 1 21 21 ALA H H 21 8.851 8.851 8.508 0.343 18345
2288 1 16 . 1 1 22 22 SER N N 22 112.200 112.200 114.499 -2.299 18345
2289 1 16 . 1 1 22 22 SER HA H 22 4.212 4.212 4.104 0.108 18345
2290 1 16 . 1 1 22 22 SER H H 22 8.040 8.040 8.013 0.027 18345
2291 1 16 . 1 1 23 23 VAL N N 23 123.400 123.400 122.759 0.641 18345
2292 1 16 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.716 0.126 18345
2293 1 16 . 1 1 23 23 VAL CB C 23 32.000 32.000 30.876 1.124 18345
2294 1 16 . 1 1 23 23 VAL H H 23 7.940 7.940 8.223 -0.283 18345
2295 1 16 . 1 1 24 24 CYS N N 24 121.400 121.400 119.305 2.095 18345
2296 1 16 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.127 0.587 18345
2297 1 16 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.681 12.719 18345
2298 1 16 . 1 1 24 24 CYS H H 24 9.188 9.188 8.087 1.101 18345
2299 1 16 . 1 1 25 25 GLN N N 25 120.500 120.500 117.799 2.701 18345
2300 1 16 . 1 1 25 25 GLN CB C 25 31.100 31.100 29.066 2.034 18345
2301 1 16 . 1 1 25 25 GLN H H 25 8.414 8.414 8.346 0.068 18345
2302 1 16 . 1 1 26 26 THR N N 26 114.500 114.500 112.074 2.426 18345
2303 1 16 . 1 1 26 26 THR HA H 26 4.527 4.527 4.158 0.369 18345
2304 1 16 . 1 1 26 26 THR H H 26 8.084 8.084 7.960 0.124 18345
2305 1 16 . 1 1 27 27 GLU N N 27 122.100 122.100 122.438 -0.338 18345
2306 1 16 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.112 0.329 18345
2307 1 16 . 1 1 27 27 GLU H H 27 7.705 7.705 8.127 -0.422 18345
2308 1 16 . 1 1 28 28 ARG N N 28 109.500 109.500 115.014 -5.514 18345
2309 1 16 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.542 -0.619 18345
2310 1 16 . 1 1 28 28 ARG H H 28 7.817 7.817 7.629 0.188 18345
2311 1 16 . 1 1 29 29 PHE N N 29 117.700 117.700 122.842 -5.142 18345
2312 1 16 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.511 0.475 18345
2313 1 16 . 1 1 29 29 PHE H H 29 7.945 7.945 8.771 -0.826 18345
2314 1 16 . 1 1 30 30 SER N N 30 113.100 113.100 122.120 -9.020 18345
2315 1 16 . 1 1 30 30 SER HA H 30 4.590 4.590 4.518 0.072 18345
2316 1 16 . 1 1 30 30 SER H H 30 8.660 8.660 7.676 0.984 18345
2317 1 16 . 1 1 31 31 GLY N N 31 107.500 107.500 110.286 -2.786 18345
2318 1 16 . 1 1 31 31 GLY H H 31 7.746 7.746 8.215 -0.469 18345
2319 1 16 . 1 1 32 32 GLY N N 32 107.300 107.300 108.662 -1.362 18345
2320 1 16 . 1 1 32 32 GLY H H 32 7.985 7.985 8.269 -0.284 18345
2321 1 16 . 1 1 33 33 ARG N N 33 115.400 115.400 121.782 -6.382 18345
2322 1 16 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.942 -0.529 18345
2323 1 16 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.884 -2.084 18345
2324 1 16 . 1 1 33 33 ARG H H 33 8.935 8.935 8.601 0.334 18345
2325 1 16 . 1 1 34 34 CYS N N 34 120.200 120.200 123.664 -3.464 18345
2326 1 16 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.589 -0.154 18345
2327 1 16 . 1 1 34 34 CYS CB C 34 36.700 36.700 26.477 10.223 18345
2328 1 16 . 1 1 34 34 CYS H H 34 8.831 8.831 8.813 0.018 18345
2329 1 16 . 1 1 35 35 ARG N N 35 121.700 121.700 125.643 -3.943 18345
2330 1 16 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.601 0.089 18345
2331 1 16 . 1 1 35 35 ARG H H 35 9.507 9.507 9.194 0.313 18345
2332 1 16 . 1 1 36 36 GLY N N 36 109.200 109.200 111.311 -2.111 18345
2333 1 16 . 1 1 36 36 GLY H H 36 8.466 8.466 8.112 0.354 18345
2334 1 16 . 1 1 37 37 PHE N N 37 121.700 121.700 120.272 1.428 18345
2335 1 16 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.278 0.143 18345
2336 1 16 . 1 1 37 37 PHE CB C 37 38.600 38.600 38.910 -0.310 18345
2337 1 16 . 1 1 37 37 PHE H H 37 8.530 8.530 8.156 0.374 18345
2338 1 16 . 1 1 38 38 ARG N N 38 118.500 118.500 119.110 -0.610 18345
2339 1 16 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.261 -0.466 18345
2340 1 16 . 1 1 38 38 ARG H H 38 8.023 8.023 8.262 -0.239 18345
2341 1 16 . 1 1 39 39 ARG N N 39 117.500 117.500 114.726 2.774 18345
2342 1 16 . 1 1 39 39 ARG HA H 39 4.162 4.162 3.883 0.279 18345
2343 1 16 . 1 1 39 39 ARG H H 39 8.222 8.222 8.156 0.066 18345
2344 1 16 . 1 1 40 40 ARG N N 40 122.500 122.500 119.530 2.970 18345
2345 1 16 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.388 0.204 18345
2346 1 16 . 1 1 40 40 ARG H H 40 8.292 8.292 7.994 0.298 18345
2347 1 16 . 1 1 41 41 CYS N N 41 120.100 120.100 123.742 -3.642 18345
2348 1 16 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.948 -0.231 18345
2349 1 16 . 1 1 41 41 CYS CB C 41 35.200 35.200 26.738 8.462 18345
2350 1 16 . 1 1 41 41 CYS H H 41 9.320 9.320 8.770 0.550 18345
2351 1 16 . 1 1 42 42 PHE N N 42 130.000 130.000 125.062 4.938 18345
2352 1 16 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.330 -0.845 18345
2353 1 16 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.472 -1.972 18345
2354 1 16 . 1 1 42 42 PHE H H 42 8.910 8.910 9.390 -0.480 18345
2355 1 16 . 1 1 43 43 CYS N N 43 120.900 120.900 121.903 -1.003 18345
2356 1 16 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.533 -0.141 18345
2357 1 16 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.102 6.098 18345
2358 1 16 . 1 1 43 43 CYS H H 43 8.819 8.819 9.060 -0.241 18345
2359 1 16 . 1 1 44 44 THR N N 44 115.200 115.200 118.471 -3.271 18345
2360 1 16 . 1 1 44 44 THR HA H 44 5.029 5.029 5.268 -0.239 18345
2361 1 16 . 1 1 44 44 THR H H 44 8.420 8.420 9.060 -0.640 18345
2362 1 16 . 1 1 45 45 THR N N 45 116.900 116.900 118.285 -1.385 18345
2363 1 16 . 1 1 45 45 THR HA H 45 4.849 4.849 4.634 0.215 18345
2364 1 16 . 1 1 45 45 THR H H 45 8.538 8.538 8.972 -0.434 18345
2365 1 16 . 1 1 46 46 HIS N N 46 121.800 121.800 121.631 0.169 18345
2366 1 16 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.965 0.106 18345
2367 1 16 . 1 1 46 46 HIS CB C 46 28.700 28.700 30.145 -1.445 18345
2368 1 16 . 1 1 46 46 HIS H H 46 8.548 8.548 8.767 -0.219 18345
2369 1 17 . 1 1 2 2 THR N N 2 118.700 118.700 119.358 -0.658 18345
2370 1 17 . 1 1 2 2 THR HA H 2 4.847 4.847 4.877 -0.030 18345
2371 1 17 . 1 1 2 2 THR H H 2 8.842 8.842 8.223 0.619 18345
2372 1 17 . 1 1 3 3 CYS N N 3 125.400 125.400 123.274 2.126 18345
2373 1 17 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.862 0.103 18345
2374 1 17 . 1 1 3 3 CYS CB C 3 41.700 41.700 29.714 11.986 18345
2375 1 17 . 1 1 3 3 CYS H H 3 8.950 8.950 9.158 -0.208 18345
2376 1 17 . 1 1 4 4 GLU N N 4 120.200 120.200 122.356 -2.156 18345
2377 1 17 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.495 0.075 18345
2378 1 17 . 1 1 4 4 GLU H H 4 8.550 8.550 8.553 -0.003 18345
2379 1 17 . 1 1 5 5 SER N N 5 116.000 116.000 114.141 1.859 18345
2380 1 17 . 1 1 5 5 SER HA H 5 4.660 4.660 4.724 -0.064 18345
2381 1 17 . 1 1 5 5 SER H H 5 8.748 8.748 8.693 0.055 18345
2382 1 17 . 1 1 6 6 GLN N N 6 127.200 127.200 121.994 5.206 18345
2383 1 17 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.552 -1.194 18345
2384 1 17 . 1 1 6 6 GLN H H 6 8.993 8.993 8.610 0.383 18345
2385 1 17 . 1 1 7 7 SER N N 7 119.400 119.400 123.202 -3.802 18345
2386 1 17 . 1 1 7 7 SER HA H 7 4.291 4.291 4.745 -0.454 18345
2387 1 17 . 1 1 7 7 SER H H 7 8.165 8.165 8.815 -0.650 18345
2388 1 17 . 1 1 8 8 HIS N N 8 128.400 128.400 125.486 2.914 18345
2389 1 17 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.646 0.162 18345
2390 1 17 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.300 -1.200 18345
2391 1 17 . 1 1 8 8 HIS H H 8 10.500 10.500 8.667 1.833 18345
2392 1 17 . 1 1 9 9 LYS N N 9 119.100 119.100 119.210 -0.110 18345
2393 1 17 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.005 0.279 18345
2394 1 17 . 1 1 9 9 LYS H H 9 8.401 8.401 8.174 0.227 18345
2395 1 17 . 1 1 10 10 PHE N N 10 121.700 121.700 120.155 1.545 18345
2396 1 17 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.414 -0.450 18345
2397 1 17 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.123 -0.123 18345
2398 1 17 . 1 1 10 10 PHE H H 10 8.324 8.324 7.919 0.405 18345
2399 1 17 . 1 1 11 11 LYS N N 11 129.000 129.000 128.343 0.657 18345
2400 1 17 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.157 0.475 18345
2401 1 17 . 1 1 11 11 LYS CB C 11 35.100 35.100 32.138 2.962 18345
2402 1 17 . 1 1 11 11 LYS H H 11 7.905 7.905 7.946 -0.041 18345
2403 1 17 . 1 1 12 12 GLY N N 12 110.000 110.000 113.175 -3.175 18345
2404 1 17 . 1 1 12 12 GLY H H 12 8.425 8.425 8.054 0.371 18345
2405 1 17 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.501 0.029 18345
2406 1 17 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.292 -0.392 18345
2407 1 17 . 1 1 14 14 CYS N N 14 125.200 125.200 123.644 1.556 18345
2408 1 17 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.194 0.534 18345
2409 1 17 . 1 1 14 14 CYS CB C 14 33.100 33.100 25.663 7.437 18345
2410 1 17 . 1 1 14 14 CYS H H 14 8.626 8.626 8.493 0.133 18345
2411 1 17 . 1 1 15 15 ALA N N 15 130.100 130.100 130.802 -0.702 18345
2412 1 17 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.173 0.413 18345
2413 1 17 . 1 1 15 15 ALA H H 15 8.735 8.735 8.340 0.395 18345
2414 1 17 . 1 1 16 16 SER N N 16 112.400 112.400 111.837 0.563 18345
2415 1 17 . 1 1 16 16 SER HA H 16 4.812 4.812 4.604 0.208 18345
2416 1 17 . 1 1 16 16 SER H H 16 7.673 7.673 7.718 -0.045 18345
2417 1 17 . 1 1 17 17 ASP N N 17 130.800 130.800 125.786 5.014 18345
2418 1 17 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.217 0.123 18345
2419 1 17 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.717 -0.517 18345
2420 1 17 . 1 1 17 17 ASP H H 17 9.211 9.211 8.929 0.282 18345
2421 1 17 . 1 1 18 18 HIS N N 18 117.100 117.100 117.586 -0.486 18345
2422 1 17 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.151 0.280 18345
2423 1 17 . 1 1 18 18 HIS CB C 18 28.100 28.100 29.904 -1.804 18345
2424 1 17 . 1 1 18 18 HIS H H 18 8.714 8.714 8.462 0.252 18345
2425 1 17 . 1 1 19 19 ASN N N 19 119.300 119.300 117.303 1.997 18345
2426 1 17 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.586 0.004 18345
2427 1 17 . 1 1 19 19 ASN CB C 19 38.200 38.200 37.848 0.352 18345
2428 1 17 . 1 1 19 19 ASN H H 19 8.001 8.001 7.635 0.366 18345
2429 1 17 . 1 1 20 20 CYS N N 20 117.500 117.500 119.914 -2.414 18345
2430 1 17 . 1 1 20 20 CYS HA H 20 4.511 4.511 4.104 0.407 18345
2431 1 17 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.242 10.158 18345
2432 1 17 . 1 1 20 20 CYS H H 20 7.646 7.646 8.020 -0.374 18345
2433 1 17 . 1 1 21 21 ALA N N 21 121.700 121.700 122.829 -1.129 18345
2434 1 17 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.884 -0.307 18345
2435 1 17 . 1 1 21 21 ALA H H 21 8.851 8.851 8.580 0.271 18345
2436 1 17 . 1 1 22 22 SER N N 22 112.200 112.200 114.819 -2.619 18345
2437 1 17 . 1 1 22 22 SER HA H 22 4.212 4.212 4.089 0.123 18345
2438 1 17 . 1 1 22 22 SER H H 22 8.040 8.040 7.857 0.183 18345
2439 1 17 . 1 1 23 23 VAL N N 23 123.400 123.400 122.422 0.978 18345
2440 1 17 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.770 0.072 18345
2441 1 17 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.528 0.472 18345
2442 1 17 . 1 1 23 23 VAL H H 23 7.940 7.940 8.244 -0.304 18345
2443 1 17 . 1 1 24 24 CYS N N 24 121.400 121.400 120.039 1.361 18345
2444 1 17 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.014 0.700 18345
2445 1 17 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.665 12.735 18345
2446 1 17 . 1 1 24 24 CYS H H 24 9.188 9.188 8.272 0.916 18345
2447 1 17 . 1 1 25 25 GLN N N 25 120.500 120.500 117.984 2.516 18345
2448 1 17 . 1 1 25 25 GLN CB C 25 31.100 31.100 29.022 2.078 18345
2449 1 17 . 1 1 25 25 GLN H H 25 8.414 8.414 8.324 0.090 18345
2450 1 17 . 1 1 26 26 THR N N 26 114.500 114.500 110.498 4.002 18345
2451 1 17 . 1 1 26 26 THR HA H 26 4.527 4.527 4.134 0.393 18345
2452 1 17 . 1 1 26 26 THR H H 26 8.084 8.084 7.906 0.178 18345
2453 1 17 . 1 1 27 27 GLU N N 27 122.100 122.100 122.346 -0.246 18345
2454 1 17 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.211 0.230 18345
2455 1 17 . 1 1 27 27 GLU H H 27 7.705 7.705 8.120 -0.415 18345
2456 1 17 . 1 1 28 28 ARG N N 28 109.500 109.500 115.871 -6.371 18345
2457 1 17 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.589 -0.666 18345
2458 1 17 . 1 1 28 28 ARG H H 28 7.817 7.817 8.026 -0.209 18345
2459 1 17 . 1 1 29 29 PHE N N 29 117.700 117.700 122.324 -4.624 18345
2460 1 17 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.444 0.542 18345
2461 1 17 . 1 1 29 29 PHE H H 29 7.945 7.945 8.769 -0.824 18345
2462 1 17 . 1 1 30 30 SER N N 30 113.100 113.100 121.725 -8.625 18345
2463 1 17 . 1 1 30 30 SER HA H 30 4.590 4.590 4.677 -0.087 18345
2464 1 17 . 1 1 30 30 SER H H 30 8.660 8.660 7.631 1.029 18345
2465 1 17 . 1 1 31 31 GLY N N 31 107.500 107.500 110.203 -2.703 18345
2466 1 17 . 1 1 31 31 GLY H H 31 7.746 7.746 8.258 -0.512 18345
2467 1 17 . 1 1 32 32 GLY N N 32 107.300 107.300 108.290 -0.990 18345
2468 1 17 . 1 1 32 32 GLY H H 32 7.985 7.985 8.145 -0.160 18345
2469 1 17 . 1 1 33 33 ARG N N 33 115.400 115.400 121.136 -5.736 18345
2470 1 17 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.768 -0.355 18345
2471 1 17 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.738 -1.938 18345
2472 1 17 . 1 1 33 33 ARG H H 33 8.935 8.935 8.632 0.303 18345
2473 1 17 . 1 1 34 34 CYS N N 34 120.200 120.200 123.147 -2.947 18345
2474 1 17 . 1 1 34 34 CYS HA H 34 5.435 5.435 4.801 0.634 18345
2475 1 17 . 1 1 34 34 CYS CB C 34 36.700 36.700 27.758 8.942 18345
2476 1 17 . 1 1 34 34 CYS H H 34 8.831 8.831 8.734 0.097 18345
2477 1 17 . 1 1 35 35 ARG N N 35 121.700 121.700 126.939 -5.239 18345
2478 1 17 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.698 -0.008 18345
2479 1 17 . 1 1 35 35 ARG H H 35 9.507 9.507 8.902 0.605 18345
2480 1 17 . 1 1 36 36 GLY N N 36 109.200 109.200 107.695 1.505 18345
2481 1 17 . 1 1 36 36 GLY H H 36 8.466 8.466 8.790 -0.324 18345
2482 1 17 . 1 1 37 37 PHE N N 37 121.700 121.700 117.891 3.809 18345
2483 1 17 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.071 0.350 18345
2484 1 17 . 1 1 37 37 PHE CB C 37 38.600 38.600 38.602 -0.002 18345
2485 1 17 . 1 1 37 37 PHE H H 37 8.530 8.530 8.458 0.072 18345
2486 1 17 . 1 1 38 38 ARG N N 38 118.500 118.500 113.157 5.343 18345
2487 1 17 . 1 1 38 38 ARG HA H 38 3.795 3.795 3.761 0.034 18345
2488 1 17 . 1 1 38 38 ARG H H 38 8.023 8.023 8.476 -0.453 18345
2489 1 17 . 1 1 39 39 ARG N N 39 117.500 117.500 115.636 1.864 18345
2490 1 17 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.546 -0.384 18345
2491 1 17 . 1 1 39 39 ARG H H 39 8.222 8.222 7.752 0.470 18345
2492 1 17 . 1 1 40 40 ARG N N 40 122.500 122.500 121.796 0.704 18345
2493 1 17 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.561 0.031 18345
2494 1 17 . 1 1 40 40 ARG H H 40 8.292 8.292 8.216 0.076 18345
2495 1 17 . 1 1 41 41 CYS N N 41 120.100 120.100 125.228 -5.128 18345
2496 1 17 . 1 1 41 41 CYS HA H 41 4.717 4.717 5.007 -0.290 18345
2497 1 17 . 1 1 41 41 CYS CB C 41 35.200 35.200 27.675 7.525 18345
2498 1 17 . 1 1 41 41 CYS H H 41 9.320 9.320 8.923 0.397 18345
2499 1 17 . 1 1 42 42 PHE N N 42 130.000 130.000 126.581 3.419 18345
2500 1 17 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.357 -0.872 18345
2501 1 17 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.350 -1.850 18345
2502 1 17 . 1 1 42 42 PHE H H 42 8.910 8.910 9.193 -0.283 18345
2503 1 17 . 1 1 43 43 CYS N N 43 120.900 120.900 118.737 2.163 18345
2504 1 17 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.781 -0.389 18345
2505 1 17 . 1 1 43 43 CYS CB C 43 36.200 36.200 32.169 4.031 18345
2506 1 17 . 1 1 43 43 CYS H H 43 8.819 8.819 9.102 -0.283 18345
2507 1 17 . 1 1 44 44 THR N N 44 115.200 115.200 115.242 -0.042 18345
2508 1 17 . 1 1 44 44 THR HA H 44 5.029 5.029 5.370 -0.341 18345
2509 1 17 . 1 1 44 44 THR H H 44 8.420 8.420 9.079 -0.659 18345
2510 1 17 . 1 1 45 45 THR N N 45 116.900 116.900 118.693 -1.793 18345
2511 1 17 . 1 1 45 45 THR HA H 45 4.849 4.849 4.802 0.047 18345
2512 1 17 . 1 1 45 45 THR H H 45 8.538 8.538 9.087 -0.549 18345
2513 1 17 . 1 1 46 46 HIS N N 46 121.800 121.800 124.414 -2.614 18345
2514 1 17 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.928 0.143 18345
2515 1 17 . 1 1 46 46 HIS CB C 46 28.700 28.700 30.108 -1.408 18345
2516 1 17 . 1 1 46 46 HIS H H 46 8.548 8.548 8.927 -0.379 18345
2517 1 18 . 1 1 2 2 THR N N 2 118.700 118.700 117.251 1.449 18345
2518 1 18 . 1 1 2 2 THR HA H 2 4.847 4.847 4.653 0.194 18345
2519 1 18 . 1 1 2 2 THR H H 2 8.842 8.842 8.348 0.494 18345
2520 1 18 . 1 1 3 3 CYS N N 3 125.400 125.400 125.922 -0.522 18345
2521 1 18 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.729 0.236 18345
2522 1 18 . 1 1 3 3 CYS CB C 3 41.700 41.700 27.709 13.991 18345
2523 1 18 . 1 1 3 3 CYS H H 3 8.950 8.950 8.858 0.092 18345
2524 1 18 . 1 1 4 4 GLU N N 4 120.200 120.200 125.880 -5.680 18345
2525 1 18 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.459 0.111 18345
2526 1 18 . 1 1 4 4 GLU H H 4 8.550 8.550 8.841 -0.291 18345
2527 1 18 . 1 1 5 5 SER N N 5 116.000 116.000 119.310 -3.310 18345
2528 1 18 . 1 1 5 5 SER HA H 5 4.660 4.660 4.801 -0.141 18345
2529 1 18 . 1 1 5 5 SER H H 5 8.748 8.748 9.027 -0.279 18345
2530 1 18 . 1 1 6 6 GLN N N 6 127.200 127.200 119.393 7.807 18345
2531 1 18 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.251 -0.893 18345
2532 1 18 . 1 1 6 6 GLN H H 6 8.993 8.993 8.326 0.667 18345
2533 1 18 . 1 1 7 7 SER N N 7 119.400 119.400 119.179 0.221 18345
2534 1 18 . 1 1 7 7 SER HA H 7 4.291 4.291 4.662 -0.371 18345
2535 1 18 . 1 1 7 7 SER H H 7 8.165 8.165 8.265 -0.100 18345
2536 1 18 . 1 1 8 8 HIS N N 8 128.400 128.400 124.014 4.386 18345
2537 1 18 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.616 0.192 18345
2538 1 18 . 1 1 8 8 HIS CB C 8 29.100 29.100 29.902 -0.802 18345
2539 1 18 . 1 1 8 8 HIS H H 8 10.500 10.500 8.592 1.908 18345
2540 1 18 . 1 1 9 9 LYS N N 9 119.100 119.100 118.146 0.954 18345
2541 1 18 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.291 -0.007 18345
2542 1 18 . 1 1 9 9 LYS H H 9 8.401 8.401 8.369 0.032 18345
2543 1 18 . 1 1 10 10 PHE N N 10 121.700 121.700 120.090 1.610 18345
2544 1 18 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.467 -0.503 18345
2545 1 18 . 1 1 10 10 PHE CB C 10 39.000 39.000 40.217 -1.217 18345
2546 1 18 . 1 1 10 10 PHE H H 10 8.324 8.324 7.799 0.525 18345
2547 1 18 . 1 1 11 11 LYS N N 11 129.000 129.000 128.141 0.859 18345
2548 1 18 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.104 0.528 18345
2549 1 18 . 1 1 11 11 LYS CB C 11 35.100 35.100 30.763 4.337 18345
2550 1 18 . 1 1 11 11 LYS H H 11 7.905 7.905 7.518 0.387 18345
2551 1 18 . 1 1 12 12 GLY N N 12 110.000 110.000 114.244 -4.244 18345
2552 1 18 . 1 1 12 12 GLY H H 12 8.425 8.425 7.767 0.658 18345
2553 1 18 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.564 -0.034 18345
2554 1 18 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.788 -0.887 18345
2555 1 18 . 1 1 14 14 CYS N N 14 125.200 125.200 118.811 6.389 18345
2556 1 18 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.297 0.431 18345
2557 1 18 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.564 8.536 18345
2558 1 18 . 1 1 14 14 CYS H H 14 8.626 8.626 8.100 0.526 18345
2559 1 18 . 1 1 15 15 ALA N N 15 130.100 130.100 128.257 1.843 18345
2560 1 18 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.278 0.308 18345
2561 1 18 . 1 1 15 15 ALA H H 15 8.735 8.735 8.782 -0.047 18345
2562 1 18 . 1 1 16 16 SER N N 16 112.400 112.400 112.844 -0.444 18345
2563 1 18 . 1 1 16 16 SER HA H 16 4.812 4.812 4.782 0.030 18345
2564 1 18 . 1 1 16 16 SER H H 16 7.673 7.673 8.018 -0.345 18345
2565 1 18 . 1 1 17 17 ASP N N 17 130.800 130.800 128.103 2.697 18345
2566 1 18 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.252 0.088 18345
2567 1 18 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.651 -0.451 18345
2568 1 18 . 1 1 17 17 ASP H H 17 9.211 9.211 8.955 0.256 18345
2569 1 18 . 1 1 18 18 HIS N N 18 117.100 117.100 118.696 -1.596 18345
2570 1 18 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.307 0.124 18345
2571 1 18 . 1 1 18 18 HIS CB C 18 28.100 28.100 29.980 -1.880 18345
2572 1 18 . 1 1 18 18 HIS H H 18 8.714 8.714 8.458 0.256 18345
2573 1 18 . 1 1 19 19 ASN N N 19 119.300 119.300 118.332 0.968 18345
2574 1 18 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.537 0.053 18345
2575 1 18 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.123 0.077 18345
2576 1 18 . 1 1 19 19 ASN H H 19 8.001 8.001 8.415 -0.414 18345
2577 1 18 . 1 1 20 20 CYS N N 20 117.500 117.500 119.827 -2.327 18345
2578 1 18 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.352 1.159 18345
2579 1 18 . 1 1 20 20 CYS CB C 20 35.400 35.400 24.965 10.435 18345
2580 1 18 . 1 1 20 20 CYS H H 20 7.646 7.646 8.241 -0.595 18345
2581 1 18 . 1 1 21 21 ALA N N 21 121.700 121.700 122.918 -1.218 18345
2582 1 18 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.824 -0.246 18345
2583 1 18 . 1 1 21 21 ALA H H 21 8.851 8.851 8.356 0.495 18345
2584 1 18 . 1 1 22 22 SER N N 22 112.200 112.200 114.469 -2.269 18345
2585 1 18 . 1 1 22 22 SER HA H 22 4.212 4.212 4.068 0.144 18345
2586 1 18 . 1 1 22 22 SER H H 22 8.040 8.040 7.794 0.246 18345
2587 1 18 . 1 1 23 23 VAL N N 23 123.400 123.400 122.775 0.625 18345
2588 1 18 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.784 0.058 18345
2589 1 18 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.000 1.000 18345
2590 1 18 . 1 1 23 23 VAL H H 23 7.940 7.940 8.567 -0.627 18345
2591 1 18 . 1 1 24 24 CYS N N 24 121.400 121.400 117.395 4.005 18345
2592 1 18 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.229 0.485 18345
2593 1 18 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.323 13.077 18345
2594 1 18 . 1 1 24 24 CYS H H 24 9.188 9.188 8.260 0.928 18345
2595 1 18 . 1 1 25 25 GLN N N 25 120.500 120.500 119.599 0.901 18345
2596 1 18 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.785 2.315 18345
2597 1 18 . 1 1 25 25 GLN H H 25 8.414 8.414 8.192 0.222 18345
2598 1 18 . 1 1 26 26 THR N N 26 114.500 114.500 109.799 4.701 18345
2599 1 18 . 1 1 26 26 THR HA H 26 4.527 4.527 4.183 0.344 18345
2600 1 18 . 1 1 26 26 THR H H 26 8.084 8.084 7.860 0.224 18345
2601 1 18 . 1 1 27 27 GLU N N 27 122.100 122.100 121.086 1.014 18345
2602 1 18 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.383 0.058 18345
2603 1 18 . 1 1 27 27 GLU H H 27 7.705 7.705 8.073 -0.368 18345
2604 1 18 . 1 1 28 28 ARG N N 28 109.500 109.500 117.630 -8.130 18345
2605 1 18 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.410 -0.487 18345
2606 1 18 . 1 1 28 28 ARG H H 28 7.817 7.817 8.145 -0.328 18345
2607 1 18 . 1 1 29 29 PHE N N 29 117.700 117.700 119.185 -1.485 18345
2608 1 18 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.482 0.504 18345
2609 1 18 . 1 1 29 29 PHE H H 29 7.945 7.945 8.228 -0.283 18345
2610 1 18 . 1 1 30 30 SER N N 30 113.100 113.100 113.658 -0.558 18345
2611 1 18 . 1 1 30 30 SER HA H 30 4.590 4.590 4.495 0.095 18345
2612 1 18 . 1 1 30 30 SER H H 30 8.660 8.660 8.096 0.564 18345
2613 1 18 . 1 1 31 31 GLY N N 31 107.500 107.500 108.410 -0.910 18345
2614 1 18 . 1 1 31 31 GLY H H 31 7.746 7.746 8.065 -0.319 18345
2615 1 18 . 1 1 32 32 GLY N N 32 107.300 107.300 107.631 -0.331 18345
2616 1 18 . 1 1 32 32 GLY H H 32 7.985 7.985 7.959 0.026 18345
2617 1 18 . 1 1 33 33 ARG N N 33 115.400 115.400 117.934 -2.534 18345
2618 1 18 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.606 -0.193 18345
2619 1 18 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.356 -1.556 18345
2620 1 18 . 1 1 33 33 ARG H H 33 8.935 8.935 8.739 0.196 18345
2621 1 18 . 1 1 34 34 CYS N N 34 120.200 120.200 123.062 -2.862 18345
2622 1 18 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.815 -0.380 18345
2623 1 18 . 1 1 34 34 CYS CB C 34 36.700 36.700 29.060 7.640 18345
2624 1 18 . 1 1 34 34 CYS H H 34 8.831 8.831 8.654 0.177 18345
2625 1 18 . 1 1 35 35 ARG N N 35 121.700 121.700 125.858 -4.158 18345
2626 1 18 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.552 0.138 18345
2627 1 18 . 1 1 35 35 ARG H H 35 9.507 9.507 9.125 0.382 18345
2628 1 18 . 1 1 36 36 GLY N N 36 109.200 109.200 111.130 -1.930 18345
2629 1 18 . 1 1 36 36 GLY H H 36 8.466 8.466 8.344 0.122 18345
2630 1 18 . 1 1 37 37 PHE N N 37 121.700 121.700 125.486 -3.786 18345
2631 1 18 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.394 0.027 18345
2632 1 18 . 1 1 37 37 PHE CB C 37 38.600 38.600 37.954 0.646 18345
2633 1 18 . 1 1 37 37 PHE H H 37 8.530 8.530 8.179 0.351 18345
2634 1 18 . 1 1 38 38 ARG N N 38 118.500 118.500 121.080 -2.580 18345
2635 1 18 . 1 1 38 38 ARG HA H 38 3.795 3.795 3.944 -0.149 18345
2636 1 18 . 1 1 38 38 ARG H H 38 8.023 8.023 8.727 -0.704 18345
2637 1 18 . 1 1 39 39 ARG N N 39 117.500 117.500 117.370 0.130 18345
2638 1 18 . 1 1 39 39 ARG HA H 39 4.162 4.162 3.902 0.260 18345
2639 1 18 . 1 1 39 39 ARG H H 39 8.222 8.222 8.011 0.211 18345
2640 1 18 . 1 1 40 40 ARG N N 40 122.500 122.500 120.191 2.309 18345
2641 1 18 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.599 -0.007 18345
2642 1 18 . 1 1 40 40 ARG H H 40 8.292 8.292 7.880 0.412 18345
2643 1 18 . 1 1 41 41 CYS N N 41 120.100 120.100 121.727 -1.627 18345
2644 1 18 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.916 -0.199 18345
2645 1 18 . 1 1 41 41 CYS CB C 41 35.200 35.200 26.363 8.837 18345
2646 1 18 . 1 1 41 41 CYS H H 41 9.320 9.320 8.656 0.664 18345
2647 1 18 . 1 1 42 42 PHE N N 42 130.000 130.000 125.097 4.903 18345
2648 1 18 . 1 1 42 42 PHE HA H 42 4.485 4.485 4.892 -0.407 18345
2649 1 18 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.498 -1.998 18345
2650 1 18 . 1 1 42 42 PHE H H 42 8.910 8.910 9.322 -0.412 18345
2651 1 18 . 1 1 43 43 CYS N N 43 120.900 120.900 120.521 0.379 18345
2652 1 18 . 1 1 43 43 CYS HA H 43 5.392 5.392 4.857 0.535 18345
2653 1 18 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.613 5.587 18345
2654 1 18 . 1 1 43 43 CYS H H 43 8.819 8.819 8.807 0.012 18345
2655 1 18 . 1 1 44 44 THR N N 44 115.200 115.200 115.705 -0.505 18345
2656 1 18 . 1 1 44 44 THR HA H 44 5.029 5.029 5.385 -0.356 18345
2657 1 18 . 1 1 44 44 THR H H 44 8.420 8.420 9.020 -0.600 18345
2658 1 18 . 1 1 45 45 THR N N 45 116.900 116.900 117.083 -0.183 18345
2659 1 18 . 1 1 45 45 THR HA H 45 4.849 4.849 4.972 -0.123 18345
2660 1 18 . 1 1 45 45 THR H H 45 8.538 8.538 9.124 -0.586 18345
2661 1 18 . 1 1 46 46 HIS N N 46 121.800 121.800 121.502 0.298 18345
2662 1 18 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.741 0.330 18345
2663 1 18 . 1 1 46 46 HIS CB C 46 28.700 28.700 30.844 -2.144 18345
2664 1 18 . 1 1 46 46 HIS H H 46 8.548 8.548 8.677 -0.129 18345
2665 1 19 . 1 1 2 2 THR N N 2 118.700 118.700 118.689 0.011 18345
2666 1 19 . 1 1 2 2 THR HA H 2 4.847 4.847 5.075 -0.228 18345
2667 1 19 . 1 1 2 2 THR H H 2 8.842 8.842 8.104 0.738 18345
2668 1 19 . 1 1 3 3 CYS N N 3 125.400 125.400 125.035 0.365 18345
2669 1 19 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.870 0.095 18345
2670 1 19 . 1 1 3 3 CYS CB C 3 41.700 41.700 30.366 11.334 18345
2671 1 19 . 1 1 3 3 CYS H H 3 8.950 8.950 9.154 -0.204 18345
2672 1 19 . 1 1 4 4 GLU N N 4 120.200 120.200 121.600 -1.400 18345
2673 1 19 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.661 -0.091 18345
2674 1 19 . 1 1 4 4 GLU H H 4 8.550 8.550 8.562 -0.012 18345
2675 1 19 . 1 1 5 5 SER N N 5 116.000 116.000 114.560 1.440 18345
2676 1 19 . 1 1 5 5 SER HA H 5 4.660 4.660 4.747 -0.087 18345
2677 1 19 . 1 1 5 5 SER H H 5 8.748 8.748 8.772 -0.024 18345
2678 1 19 . 1 1 6 6 GLN N N 6 127.200 127.200 120.932 6.268 18345
2679 1 19 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.070 -0.712 18345
2680 1 19 . 1 1 6 6 GLN H H 6 8.993 8.993 8.360 0.633 18345
2681 1 19 . 1 1 7 7 SER N N 7 119.400 119.400 120.232 -0.832 18345
2682 1 19 . 1 1 7 7 SER HA H 7 4.291 4.291 4.625 -0.334 18345
2683 1 19 . 1 1 7 7 SER H H 7 8.165 8.165 8.509 -0.344 18345
2684 1 19 . 1 1 8 8 HIS N N 8 128.400 128.400 124.402 3.998 18345
2685 1 19 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.793 0.015 18345
2686 1 19 . 1 1 8 8 HIS CB C 8 29.100 29.100 29.660 -0.560 18345
2687 1 19 . 1 1 8 8 HIS H H 8 10.500 10.500 8.444 2.056 18345
2688 1 19 . 1 1 9 9 LYS N N 9 119.100 119.100 121.148 -2.048 18345
2689 1 19 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.078 0.206 18345
2690 1 19 . 1 1 9 9 LYS H H 9 8.401 8.401 7.321 1.080 18345
2691 1 19 . 1 1 10 10 PHE N N 10 121.700 121.700 121.362 0.338 18345
2692 1 19 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.342 -0.378 18345
2693 1 19 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.411 -0.411 18345
2694 1 19 . 1 1 10 10 PHE H H 10 8.324 8.324 7.858 0.466 18345
2695 1 19 . 1 1 11 11 LYS N N 11 129.000 129.000 128.950 0.050 18345
2696 1 19 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.201 0.431 18345
2697 1 19 . 1 1 11 11 LYS CB C 11 35.100 35.100 32.278 2.822 18345
2698 1 19 . 1 1 11 11 LYS H H 11 7.905 7.905 7.981 -0.076 18345
2699 1 19 . 1 1 12 12 GLY N N 12 110.000 110.000 114.220 -4.220 18345
2700 1 19 . 1 1 12 12 GLY H H 12 8.425 8.425 7.927 0.498 18345
2701 1 19 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.457 0.073 18345
2702 1 19 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.259 -0.359 18345
2703 1 19 . 1 1 14 14 CYS N N 14 125.200 125.200 119.499 5.701 18345
2704 1 19 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.596 0.132 18345
2705 1 19 . 1 1 14 14 CYS CB C 14 33.100 33.100 25.035 8.065 18345
2706 1 19 . 1 1 14 14 CYS H H 14 8.626 8.626 8.361 0.265 18345
2707 1 19 . 1 1 15 15 ALA N N 15 130.100 130.100 127.799 2.301 18345
2708 1 19 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.055 0.531 18345
2709 1 19 . 1 1 15 15 ALA H H 15 8.735 8.735 8.317 0.418 18345
2710 1 19 . 1 1 16 16 SER N N 16 112.400 112.400 111.931 0.469 18345
2711 1 19 . 1 1 16 16 SER HA H 16 4.812 4.812 4.701 0.111 18345
2712 1 19 . 1 1 16 16 SER H H 16 7.673 7.673 7.920 -0.247 18345
2713 1 19 . 1 1 17 17 ASP N N 17 130.800 130.800 127.071 3.729 18345
2714 1 19 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.269 0.071 18345
2715 1 19 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.769 -0.569 18345
2716 1 19 . 1 1 17 17 ASP H H 17 9.211 9.211 9.002 0.209 18345
2717 1 19 . 1 1 18 18 HIS N N 18 117.100 117.100 118.911 -1.811 18345
2718 1 19 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.202 0.229 18345
2719 1 19 . 1 1 18 18 HIS CB C 18 28.100 28.100 29.917 -1.817 18345
2720 1 19 . 1 1 18 18 HIS H H 18 8.714 8.714 8.483 0.231 18345
2721 1 19 . 1 1 19 19 ASN N N 19 119.300 119.300 117.424 1.876 18345
2722 1 19 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.579 0.011 18345
2723 1 19 . 1 1 19 19 ASN CB C 19 38.200 38.200 37.996 0.204 18345
2724 1 19 . 1 1 19 19 ASN H H 19 8.001 8.001 7.861 0.140 18345
2725 1 19 . 1 1 20 20 CYS N N 20 117.500 117.500 120.305 -2.805 18345
2726 1 19 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.505 1.006 18345
2727 1 19 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.067 10.334 18345
2728 1 19 . 1 1 20 20 CYS H H 20 7.646 7.646 8.075 -0.429 18345
2729 1 19 . 1 1 21 21 ALA N N 21 121.700 121.700 122.345 -0.645 18345
2730 1 19 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.831 -0.254 18345
2731 1 19 . 1 1 21 21 ALA H H 21 8.851 8.851 8.491 0.360 18345
2732 1 19 . 1 1 22 22 SER N N 22 112.200 112.200 114.677 -2.477 18345
2733 1 19 . 1 1 22 22 SER HA H 22 4.212 4.212 4.120 0.092 18345
2734 1 19 . 1 1 22 22 SER H H 22 8.040 8.040 8.055 -0.015 18345
2735 1 19 . 1 1 23 23 VAL N N 23 123.400 123.400 122.280 1.120 18345
2736 1 19 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.781 0.061 18345
2737 1 19 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.550 0.450 18345
2738 1 19 . 1 1 23 23 VAL H H 23 7.940 7.940 8.295 -0.355 18345
2739 1 19 . 1 1 24 24 CYS N N 24 121.400 121.400 120.470 0.930 18345
2740 1 19 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.014 0.700 18345
2741 1 19 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.285 13.115 18345
2742 1 19 . 1 1 24 24 CYS H H 24 9.188 9.188 8.295 0.893 18345
2743 1 19 . 1 1 25 25 GLN N N 25 120.500 120.500 119.775 0.725 18345
2744 1 19 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.872 2.228 18345
2745 1 19 . 1 1 25 25 GLN H H 25 8.414 8.414 8.267 0.147 18345
2746 1 19 . 1 1 26 26 THR N N 26 114.500 114.500 111.161 3.339 18345
2747 1 19 . 1 1 26 26 THR HA H 26 4.527 4.527 3.505 1.022 18345
2748 1 19 . 1 1 26 26 THR H H 26 8.084 8.084 7.862 0.222 18345
2749 1 19 . 1 1 27 27 GLU N N 27 122.100 122.100 120.783 1.317 18345
2750 1 19 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.161 0.280 18345
2751 1 19 . 1 1 27 27 GLU H H 27 7.705 7.705 7.878 -0.173 18345
2752 1 19 . 1 1 28 28 ARG N N 28 109.500 109.500 118.950 -9.450 18345
2753 1 19 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.564 -0.641 18345
2754 1 19 . 1 1 28 28 ARG H H 28 7.817 7.817 8.127 -0.310 18345
2755 1 19 . 1 1 29 29 PHE N N 29 117.700 117.700 125.423 -7.723 18345
2756 1 19 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.373 0.613 18345
2757 1 19 . 1 1 29 29 PHE H H 29 7.945 7.945 8.904 -0.959 18345
2758 1 19 . 1 1 30 30 SER N N 30 113.100 113.100 119.653 -6.553 18345
2759 1 19 . 1 1 30 30 SER HA H 30 4.590 4.590 4.756 -0.166 18345
2760 1 19 . 1 1 30 30 SER H H 30 8.660 8.660 8.396 0.264 18345
2761 1 19 . 1 1 31 31 GLY N N 31 107.500 107.500 110.041 -2.541 18345
2762 1 19 . 1 1 31 31 GLY H H 31 7.746 7.746 8.290 -0.544 18345
2763 1 19 . 1 1 32 32 GLY N N 32 107.300 107.300 107.988 -0.688 18345
2764 1 19 . 1 1 32 32 GLY H H 32 7.985 7.985 7.950 0.035 18345
2765 1 19 . 1 1 33 33 ARG N N 33 115.400 115.400 120.873 -5.473 18345
2766 1 19 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.616 -0.203 18345
2767 1 19 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.055 -1.255 18345
2768 1 19 . 1 1 33 33 ARG H H 33 8.935 8.935 8.997 -0.062 18345
2769 1 19 . 1 1 34 34 CYS N N 34 120.200 120.200 119.518 0.682 18345
2770 1 19 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.305 0.130 18345
2771 1 19 . 1 1 34 34 CYS CB C 34 36.700 36.700 27.188 9.512 18345
2772 1 19 . 1 1 34 34 CYS H H 34 8.831 8.831 8.690 0.141 18345
2773 1 19 . 1 1 35 35 ARG N N 35 121.700 121.700 126.825 -5.125 18345
2774 1 19 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.454 0.236 18345
2775 1 19 . 1 1 35 35 ARG H H 35 9.507 9.507 9.002 0.505 18345
2776 1 19 . 1 1 36 36 GLY N N 36 109.200 109.200 114.302 -5.102 18345
2777 1 19 . 1 1 36 36 GLY H H 36 8.466 8.466 7.930 0.536 18345
2778 1 19 . 1 1 37 37 PHE N N 37 121.700 121.700 120.981 0.719 18345
2779 1 19 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.442 -0.021 18345
2780 1 19 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.521 -0.921 18345
2781 1 19 . 1 1 37 37 PHE H H 37 8.530 8.530 8.690 -0.160 18345
2782 1 19 . 1 1 38 38 ARG N N 38 118.500 118.500 117.680 0.820 18345
2783 1 19 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.278 -0.483 18345
2784 1 19 . 1 1 38 38 ARG H H 38 8.023 8.023 8.251 -0.228 18345
2785 1 19 . 1 1 39 39 ARG N N 39 117.500 117.500 115.619 1.881 18345
2786 1 19 . 1 1 39 39 ARG HA H 39 4.162 4.162 3.838 0.324 18345
2787 1 19 . 1 1 39 39 ARG H H 39 8.222 8.222 7.636 0.586 18345
2788 1 19 . 1 1 40 40 ARG N N 40 122.500 122.500 119.135 3.365 18345
2789 1 19 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.354 0.238 18345
2790 1 19 . 1 1 40 40 ARG H H 40 8.292 8.292 7.999 0.293 18345
2791 1 19 . 1 1 41 41 CYS N N 41 120.100 120.100 124.238 -4.138 18345
2792 1 19 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.860 -0.143 18345
2793 1 19 . 1 1 41 41 CYS CB C 41 35.200 35.200 26.529 8.671 18345
2794 1 19 . 1 1 41 41 CYS H H 41 9.320 9.320 8.922 0.398 18345
2795 1 19 . 1 1 42 42 PHE N N 42 130.000 130.000 124.537 5.463 18345
2796 1 19 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.253 -0.768 18345
2797 1 19 . 1 1 42 42 PHE CB C 42 41.500 41.500 42.735 -1.235 18345
2798 1 19 . 1 1 42 42 PHE H H 42 8.910 8.910 9.197 -0.287 18345
2799 1 19 . 1 1 43 43 CYS N N 43 120.900 120.900 120.909 -0.009 18345
2800 1 19 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.052 0.340 18345
2801 1 19 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.299 5.902 18345
2802 1 19 . 1 1 43 43 CYS H H 43 8.819 8.819 8.852 -0.033 18345
2803 1 19 . 1 1 44 44 THR N N 44 115.200 115.200 117.596 -2.396 18345
2804 1 19 . 1 1 44 44 THR HA H 44 5.029 5.029 5.332 -0.303 18345
2805 1 19 . 1 1 44 44 THR H H 44 8.420 8.420 9.022 -0.602 18345
2806 1 19 . 1 1 45 45 THR N N 45 116.900 116.900 117.853 -0.953 18345
2807 1 19 . 1 1 45 45 THR HA H 45 4.849 4.849 4.739 0.110 18345
2808 1 19 . 1 1 45 45 THR H H 45 8.538 8.538 8.972 -0.434 18345
2809 1 19 . 1 1 46 46 HIS N N 46 121.800 121.800 125.707 -3.907 18345
2810 1 19 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.635 0.436 18345
2811 1 19 . 1 1 46 46 HIS CB C 46 28.700 28.700 30.183 -1.483 18345
2812 1 19 . 1 1 46 46 HIS H H 46 8.548 8.548 8.668 -0.120 18345
2813 1 20 . 1 1 2 2 THR N N 2 118.700 118.700 120.369 -1.669 18345
2814 1 20 . 1 1 2 2 THR HA H 2 4.847 4.847 4.670 0.177 18345
2815 1 20 . 1 1 2 2 THR H H 2 8.842 8.842 8.249 0.593 18345
2816 1 20 . 1 1 3 3 CYS N N 3 125.400 125.400 128.100 -2.700 18345
2817 1 20 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.797 0.168 18345
2818 1 20 . 1 1 3 3 CYS CB C 3 41.700 41.700 28.614 13.086 18345
2819 1 20 . 1 1 3 3 CYS H H 3 8.950 8.950 8.730 0.220 18345
2820 1 20 . 1 1 4 4 GLU N N 4 120.200 120.200 125.812 -5.612 18345
2821 1 20 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.461 0.109 18345
2822 1 20 . 1 1 4 4 GLU H H 4 8.550 8.550 8.612 -0.062 18345
2823 1 20 . 1 1 5 5 SER N N 5 116.000 116.000 114.430 1.570 18345
2824 1 20 . 1 1 5 5 SER HA H 5 4.660 4.660 4.850 -0.190 18345
2825 1 20 . 1 1 5 5 SER H H 5 8.748 8.748 9.002 -0.254 18345
2826 1 20 . 1 1 6 6 GLN N N 6 127.200 127.200 120.030 7.170 18345
2827 1 20 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.438 -1.080 18345
2828 1 20 . 1 1 6 6 GLN H H 6 8.993 8.993 8.455 0.538 18345
2829 1 20 . 1 1 7 7 SER N N 7 119.400 119.400 120.443 -1.043 18345
2830 1 20 . 1 1 7 7 SER HA H 7 4.291 4.291 4.802 -0.511 18345
2831 1 20 . 1 1 7 7 SER H H 7 8.165 8.165 8.590 -0.425 18345
2832 1 20 . 1 1 8 8 HIS N N 8 128.400 128.400 125.854 2.546 18345
2833 1 20 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.655 0.153 18345
2834 1 20 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.781 -1.681 18345
2835 1 20 . 1 1 8 8 HIS H H 8 10.500 10.500 8.795 1.705 18345
2836 1 20 . 1 1 9 9 LYS N N 9 119.100 119.100 119.557 -0.457 18345
2837 1 20 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.050 0.234 18345
2838 1 20 . 1 1 9 9 LYS H H 9 8.401 8.401 8.146 0.255 18345
2839 1 20 . 1 1 10 10 PHE N N 10 121.700 121.700 119.897 1.803 18345
2840 1 20 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.321 -0.357 18345
2841 1 20 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.876 -0.876 18345
2842 1 20 . 1 1 10 10 PHE H H 10 8.324 8.324 7.845 0.479 18345
2843 1 20 . 1 1 11 11 LYS N N 11 129.000 129.000 127.672 1.328 18345
2844 1 20 . 1 1 11 11 LYS HA H 11 4.632 4.632 3.985 0.647 18345
2845 1 20 . 1 1 11 11 LYS CB C 11 35.100 35.100 29.492 5.608 18345
2846 1 20 . 1 1 11 11 LYS H H 11 7.905 7.905 7.860 0.045 18345
2847 1 20 . 1 1 12 12 GLY N N 12 110.000 110.000 112.559 -2.559 18345
2848 1 20 . 1 1 12 12 GLY H H 12 8.425 8.425 7.731 0.694 18345
2849 1 20 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.350 0.180 18345
2850 1 20 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.500 -0.600 18345
2851 1 20 . 1 1 14 14 CYS N N 14 125.200 125.200 120.940 4.260 18345
2852 1 20 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.231 0.497 18345
2853 1 20 . 1 1 14 14 CYS CB C 14 33.100 33.100 25.691 7.409 18345
2854 1 20 . 1 1 14 14 CYS H H 14 8.626 8.626 8.458 0.168 18345
2855 1 20 . 1 1 15 15 ALA N N 15 130.100 130.100 130.838 -0.738 18345
2856 1 20 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.193 0.393 18345
2857 1 20 . 1 1 15 15 ALA H H 15 8.735 8.735 8.467 0.268 18345
2858 1 20 . 1 1 16 16 SER N N 16 112.400 112.400 109.815 2.585 18345
2859 1 20 . 1 1 16 16 SER HA H 16 4.812 4.812 4.679 0.133 18345
2860 1 20 . 1 1 16 16 SER H H 16 7.673 7.673 7.610 0.063 18345
2861 1 20 . 1 1 17 17 ASP N N 17 130.800 130.800 125.414 5.386 18345
2862 1 20 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.316 0.024 18345
2863 1 20 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.639 -0.439 18345
2864 1 20 . 1 1 17 17 ASP H H 17 9.211 9.211 8.845 0.366 18345
2865 1 20 . 1 1 18 18 HIS N N 18 117.100 117.100 119.005 -1.905 18345
2866 1 20 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.177 0.254 18345
2867 1 20 . 1 1 18 18 HIS CB C 18 28.100 28.100 29.997 -1.897 18345
2868 1 20 . 1 1 18 18 HIS H H 18 8.714 8.714 8.440 0.274 18345
2869 1 20 . 1 1 19 19 ASN N N 19 119.300 119.300 118.115 1.185 18345
2870 1 20 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.374 0.216 18345
2871 1 20 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.569 -0.369 18345
2872 1 20 . 1 1 19 19 ASN H H 19 8.001 8.001 7.513 0.488 18345
2873 1 20 . 1 1 20 20 CYS N N 20 117.500 117.500 119.512 -2.012 18345
2874 1 20 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.383 1.128 18345
2875 1 20 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.052 10.348 18345
2876 1 20 . 1 1 20 20 CYS H H 20 7.646 7.646 7.875 -0.229 18345
2877 1 20 . 1 1 21 21 ALA N N 21 121.700 121.700 122.969 -1.269 18345
2878 1 20 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.900 -0.323 18345
2879 1 20 . 1 1 21 21 ALA H H 21 8.851 8.851 8.616 0.235 18345
2880 1 20 . 1 1 22 22 SER N N 22 112.200 112.200 114.754 -2.554 18345
2881 1 20 . 1 1 22 22 SER HA H 22 4.212 4.212 4.195 0.017 18345
2882 1 20 . 1 1 22 22 SER H H 22 8.040 8.040 7.964 0.076 18345
2883 1 20 . 1 1 23 23 VAL N N 23 123.400 123.400 122.507 0.893 18345
2884 1 20 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.737 0.105 18345
2885 1 20 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.563 0.437 18345
2886 1 20 . 1 1 23 23 VAL H H 23 7.940 7.940 8.275 -0.335 18345
2887 1 20 . 1 1 24 24 CYS N N 24 121.400 121.400 118.756 2.644 18345
2888 1 20 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.041 0.673 18345
2889 1 20 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.821 12.579 18345
2890 1 20 . 1 1 24 24 CYS H H 24 9.188 9.188 8.336 0.852 18345
2891 1 20 . 1 1 25 25 GLN N N 25 120.500 120.500 117.513 2.987 18345
2892 1 20 . 1 1 25 25 GLN CB C 25 31.100 31.100 29.160 1.940 18345
2893 1 20 . 1 1 25 25 GLN H H 25 8.414 8.414 8.348 0.066 18345
2894 1 20 . 1 1 26 26 THR N N 26 114.500 114.500 111.052 3.448 18345
2895 1 20 . 1 1 26 26 THR HA H 26 4.527 4.527 4.131 0.396 18345
2896 1 20 . 1 1 26 26 THR H H 26 8.084 8.084 7.824 0.260 18345
2897 1 20 . 1 1 27 27 GLU N N 27 122.100 122.100 119.274 2.826 18345
2898 1 20 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.291 0.150 18345
2899 1 20 . 1 1 27 27 GLU H H 27 7.705 7.705 8.184 -0.479 18345
2900 1 20 . 1 1 28 28 ARG N N 28 109.500 109.500 117.804 -8.304 18345
2901 1 20 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.435 -0.512 18345
2902 1 20 . 1 1 28 28 ARG H H 28 7.817 7.817 7.833 -0.016 18345
2903 1 20 . 1 1 29 29 PHE N N 29 117.700 117.700 120.507 -2.807 18345
2904 1 20 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.704 0.282 18345
2905 1 20 . 1 1 29 29 PHE H H 29 7.945 7.945 8.707 -0.762 18345
2906 1 20 . 1 1 30 30 SER N N 30 113.100 113.100 117.259 -4.159 18345
2907 1 20 . 1 1 30 30 SER HA H 30 4.590 4.590 4.882 -0.292 18345
2908 1 20 . 1 1 30 30 SER H H 30 8.660 8.660 8.079 0.581 18345
2909 1 20 . 1 1 31 31 GLY N N 31 107.500 107.500 110.516 -3.016 18345
2910 1 20 . 1 1 31 31 GLY H H 31 7.746 7.746 8.669 -0.923 18345
2911 1 20 . 1 1 32 32 GLY N N 32 107.300 107.300 108.681 -1.381 18345
2912 1 20 . 1 1 32 32 GLY H H 32 7.985 7.985 8.256 -0.271 18345
2913 1 20 . 1 1 33 33 ARG N N 33 115.400 115.400 124.114 -8.714 18345
2914 1 20 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.826 -0.413 18345
2915 1 20 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.705 -1.905 18345
2916 1 20 . 1 1 33 33 ARG H H 33 8.935 8.935 9.124 -0.189 18345
2917 1 20 . 1 1 34 34 CYS N N 34 120.200 120.200 119.657 0.543 18345
2918 1 20 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.259 0.176 18345
2919 1 20 . 1 1 34 34 CYS CB C 34 36.700 36.700 28.430 8.270 18345
2920 1 20 . 1 1 34 34 CYS H H 34 8.831 8.831 8.658 0.173 18345
2921 1 20 . 1 1 35 35 ARG N N 35 121.700 121.700 122.200 -0.500 18345
2922 1 20 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.662 0.028 18345
2923 1 20 . 1 1 35 35 ARG H H 35 9.507 9.507 8.949 0.558 18345
2924 1 20 . 1 1 36 36 GLY N N 36 109.200 109.200 108.581 0.619 18345
2925 1 20 . 1 1 36 36 GLY H H 36 8.466 8.466 8.796 -0.330 18345
2926 1 20 . 1 1 37 37 PHE N N 37 121.700 121.700 118.057 3.643 18345
2927 1 20 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.077 0.344 18345
2928 1 20 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.199 -0.599 18345
2929 1 20 . 1 1 37 37 PHE H H 37 8.530 8.530 8.351 0.179 18345
2930 1 20 . 1 1 38 38 ARG N N 38 118.500 118.500 118.502 -0.002 18345
2931 1 20 . 1 1 38 38 ARG HA H 38 3.795 3.795 3.747 0.048 18345
2932 1 20 . 1 1 38 38 ARG H H 38 8.023 8.023 8.648 -0.625 18345
2933 1 20 . 1 1 39 39 ARG N N 39 117.500 117.500 120.180 -2.680 18345
2934 1 20 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.240 -0.078 18345
2935 1 20 . 1 1 39 39 ARG H H 39 8.222 8.222 7.981 0.241 18345
2936 1 20 . 1 1 40 40 ARG N N 40 122.500 122.500 116.481 6.019 18345
2937 1 20 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.650 -0.058 18345
2938 1 20 . 1 1 40 40 ARG H H 40 8.292 8.292 8.297 -0.005 18345
2939 1 20 . 1 1 41 41 CYS N N 41 120.100 120.100 119.792 0.308 18345
2940 1 20 . 1 1 41 41 CYS HA H 41 4.717 4.717 5.294 -0.577 18345
2941 1 20 . 1 1 41 41 CYS CB C 41 35.200 35.200 29.618 5.582 18345
2942 1 20 . 1 1 41 41 CYS H H 41 9.320 9.320 8.595 0.725 18345
2943 1 20 . 1 1 42 42 PHE N N 42 130.000 130.000 124.641 5.359 18345
2944 1 20 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.212 -0.727 18345
2945 1 20 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.916 -2.416 18345
2946 1 20 . 1 1 42 42 PHE H H 42 8.910 8.910 9.214 -0.304 18345
2947 1 20 . 1 1 43 43 CYS N N 43 120.900 120.900 121.876 -0.976 18345
2948 1 20 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.859 -0.467 18345
2949 1 20 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.400 5.800 18345
2950 1 20 . 1 1 43 43 CYS H H 43 8.819 8.819 8.960 -0.141 18345
2951 1 20 . 1 1 44 44 THR N N 44 115.200 115.200 117.640 -2.440 18345
2952 1 20 . 1 1 44 44 THR HA H 44 5.029 5.029 5.060 -0.031 18345
2953 1 20 . 1 1 44 44 THR H H 44 8.420 8.420 9.250 -0.830 18345
2954 1 20 . 1 1 45 45 THR N N 45 116.900 116.900 118.394 -1.494 18345
2955 1 20 . 1 1 45 45 THR HA H 45 4.849 4.849 4.695 0.154 18345
2956 1 20 . 1 1 45 45 THR H H 45 8.538 8.538 8.536 0.002 18345
2957 1 20 . 1 1 46 46 HIS N N 46 121.800 121.800 126.101 -4.301 18345
2958 1 20 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.418 0.653 18345
2959 1 20 . 1 1 46 46 HIS CB C 46 28.700 28.700 28.470 0.231 18345
2960 1 20 . 1 1 46 46 HIS H H 46 8.548 8.548 8.618 -0.070 18345
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 44 3.368 0.306 3.393 18345
2 1 1 "Average Difference" HA 48 0.412 -0.027 0.415 18345
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18345
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18345
5 1 1 "Average Difference" CB 20 5.812 -2.927 5.152 18345
6 1 1 "Average Difference" HN 44 0.480 -0.098 0.475 18345
7 1 2 "Average Difference" N 44 3.881 0.269 3.917 18345
8 1 2 "Average Difference" HA 48 0.476 -0.096 0.471 18345
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18345
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18345
11 1 2 "Average Difference" CB 20 6.123 -3.445 5.193 18345
12 1 2 "Average Difference" HN 44 0.537 -0.125 0.528 18345
13 1 3 "Average Difference" N 44 3.526 0.541 3.524 18345
14 1 3 "Average Difference" HA 48 0.399 -0.034 0.401 18345
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18345
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18345
17 1 3 "Average Difference" CB 20 6.000 -3.127 5.254 18345
18 1 3 "Average Difference" HN 44 0.545 -0.067 0.548 18345
19 1 4 "Average Difference" N 44 3.431 0.011 3.471 18345
20 1 4 "Average Difference" HA 48 0.367 -0.085 0.361 18345
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18345
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18345
23 1 4 "Average Difference" CB 20 6.321 -3.141 5.628 18345
24 1 4 "Average Difference" HN 44 0.459 -0.168 0.432 18345
25 1 5 "Average Difference" N 44 3.310 0.076 3.347 18345
26 1 5 "Average Difference" HA 48 0.404 0.014 0.408 18345
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18345
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18345
29 1 5 "Average Difference" CB 20 5.795 -3.020 5.074 18345
30 1 5 "Average Difference" HN 44 0.535 -0.138 0.523 18345
31 1 6 "Average Difference" N 44 3.307 0.618 3.286 18345
32 1 6 "Average Difference" HA 48 0.357 -0.006 0.361 18345
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18345
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18345
35 1 6 "Average Difference" CB 20 5.567 -2.843 4.910 18345
36 1 6 "Average Difference" HN 44 0.564 -0.087 0.564 18345
37 1 7 "Average Difference" N 44 3.195 -0.039 3.231 18345
38 1 7 "Average Difference" HA 48 0.367 -0.029 0.370 18345
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18345
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18345
41 1 7 "Average Difference" CB 20 5.652 -2.836 5.015 18345
42 1 7 "Average Difference" HN 44 0.557 -0.149 0.543 18345
43 1 8 "Average Difference" N 44 3.794 -0.296 3.826 18345
44 1 8 "Average Difference" HA 48 0.357 -0.035 0.359 18345
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18345
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18345
47 1 8 "Average Difference" CB 20 5.654 -2.945 4.952 18345
48 1 8 "Average Difference" HN 44 0.590 -0.172 0.571 18345
49 1 9 "Average Difference" N 44 3.724 0.681 3.704 18345
50 1 9 "Average Difference" HA 48 0.400 -0.041 0.402 18345
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18345
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18345
53 1 9 "Average Difference" CB 20 5.836 -3.074 5.089 18345
54 1 9 "Average Difference" HN 44 0.487 -0.106 0.481 18345
55 1 10 "Average Difference" N 44 3.655 0.512 3.661 18345
56 1 10 "Average Difference" HA 48 0.411 -0.067 0.410 18345
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18345
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18345
59 1 10 "Average Difference" CB 20 5.849 -3.148 5.057 18345
60 1 10 "Average Difference" HN 44 0.520 -0.112 0.514 18345
61 1 11 "Average Difference" N 44 3.507 0.583 3.498 18345
62 1 11 "Average Difference" HA 48 0.410 -0.050 0.412 18345
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18345
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18345
65 1 11 "Average Difference" CB 20 5.607 -2.745 5.017 18345
66 1 11 "Average Difference" HN 44 0.598 -0.134 0.590 18345
67 1 12 "Average Difference" N 44 3.629 0.753 3.591 18345
68 1 12 "Average Difference" HA 48 0.440 -0.025 0.444 18345
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18345
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18345
71 1 12 "Average Difference" CB 20 5.389 -2.806 4.720 18345
72 1 12 "Average Difference" HN 44 0.542 -0.107 0.538 18345
73 1 13 "Average Difference" N 44 3.479 0.462 3.489 18345
74 1 13 "Average Difference" HA 48 0.367 -0.094 0.359 18345
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18345
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18345
77 1 13 "Average Difference" CB 20 6.277 -3.307 5.474 18345
78 1 13 "Average Difference" HN 44 0.541 -0.172 0.519 18345
79 1 14 "Average Difference" N 44 3.208 0.513 3.203 18345
80 1 14 "Average Difference" HA 48 0.331 -0.034 0.333 18345
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18345
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18345
83 1 14 "Average Difference" CB 20 5.913 -3.063 5.189 18345
84 1 14 "Average Difference" HN 44 0.509 -0.093 0.506 18345
85 1 15 "Average Difference" N 44 3.075 0.392 3.086 18345
86 1 15 "Average Difference" HA 48 0.374 -0.043 0.375 18345
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18345
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18345
89 1 15 "Average Difference" CB 20 6.192 -3.347 5.345 18345
90 1 15 "Average Difference" HN 44 0.501 -0.133 0.488 18345
91 1 16 "Average Difference" N 44 3.209 0.515 3.204 18345
92 1 16 "Average Difference" HA 48 0.414 -0.064 0.413 18345
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18345
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18345
95 1 16 "Average Difference" CB 20 5.984 -3.250 5.154 18345
96 1 16 "Average Difference" HN 44 0.502 -0.127 0.491 18345
97 1 17 "Average Difference" N 44 3.246 0.300 3.269 18345
98 1 17 "Average Difference" HA 48 0.397 -0.048 0.398 18345
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18345
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18345
101 1 17 "Average Difference" CB 20 5.678 -2.972 4.964 18345
102 1 17 "Average Difference" HN 44 0.496 -0.076 0.496 18345
103 1 18 "Average Difference" N 44 3.069 0.108 3.102 18345
104 1 18 "Average Difference" HA 48 0.391 -0.093 0.383 18345
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18345
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18345
107 1 18 "Average Difference" CB 20 6.162 -3.277 5.354 18345
108 1 18 "Average Difference" HN 44 0.505 -0.105 0.500 18345
109 1 19 "Average Difference" N 44 3.495 0.532 3.494 18345
110 1 19 "Average Difference" HA 48 0.388 -0.067 0.386 18345
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18345
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18345
113 1 19 "Average Difference" CB 20 5.901 -3.201 5.085 18345
114 1 19 "Average Difference" HN 44 0.522 -0.125 0.513 18345
115 1 20 "Average Difference" N 44 3.431 0.140 3.468 18345
116 1 20 "Average Difference" HA 48 0.415 -0.075 0.413 18345
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18345
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18345
119 1 20 "Average Difference" CB 20 5.822 -3.025 5.103 18345
120 1 20 "Average Difference" HN 44 0.490 -0.088 0.488 18345
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 18345
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 THR N N 2 118.700 118.700 119.288 -0.588 18345
2 1 . 1 1 2 2 THR HA H 2 4.847 4.847 4.785 0.062 18345
3 1 . 1 1 2 2 THR H H 2 8.842 8.842 8.240 0.602 18345
4 1 . 1 1 3 3 CYS N N 3 125.400 125.400 125.970 -0.570 18345
5 1 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.798 0.167 18345
6 1 . 1 1 3 3 CYS CB C 3 41.700 41.700 29.303 12.397 18345
7 1 . 1 1 3 3 CYS H H 3 8.950 8.950 9.015 -0.065 18345
8 1 . 1 1 4 4 GLU N N 4 120.200 120.200 124.786 -4.586 18345
9 1 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.517 0.054 18345
10 1 . 1 1 4 4 GLU H H 4 8.550 8.550 8.670 -0.120 18345
11 1 . 1 1 5 5 SER N N 5 116.000 116.000 117.364 -1.364 18345
12 1 . 1 1 5 5 SER HA H 5 4.660 4.660 4.830 -0.170 18345
13 1 . 1 1 5 5 SER H H 5 8.748 8.748 8.948 -0.200 18345
14 1 . 1 1 6 6 GLN N N 6 127.200 127.200 120.024 7.176 18345
15 1 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.318 -0.960 18345
16 1 . 1 1 6 6 GLN H H 6 8.993 8.993 8.414 0.579 18345
17 1 . 1 1 7 7 SER N N 7 119.400 119.400 119.879 -0.479 18345
18 1 . 1 1 7 7 SER HA H 7 4.291 4.291 4.708 -0.416 18345
19 1 . 1 1 7 7 SER H H 7 8.165 8.165 8.506 -0.341 18345
20 1 . 1 1 8 8 HIS N N 8 128.400 128.400 124.074 4.326 18345
21 1 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.725 0.083 18345
22 1 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.111 -1.011 18345
23 1 . 1 1 8 8 HIS H H 8 10.500 10.500 8.570 1.930 18345
24 1 . 1 1 9 9 LYS N N 9 119.100 119.100 119.761 -0.661 18345
25 1 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.126 0.158 18345
26 1 . 1 1 9 9 LYS H H 9 8.401 8.401 7.949 0.452 18345
27 1 . 1 1 10 10 PHE N N 10 121.700 121.700 120.884 0.816 18345
28 1 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.395 -0.431 18345
29 1 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.854 -0.854 18345
30 1 . 1 1 10 10 PHE H H 10 8.324 8.324 7.734 0.590 18345
31 1 . 1 1 11 11 LYS N N 11 129.000 129.000 127.127 1.873 18345
32 1 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.186 0.446 18345
33 1 . 1 1 11 11 LYS CB C 11 35.100 35.100 31.640 3.460 18345
34 1 . 1 1 11 11 LYS H H 11 7.905 7.905 7.746 0.159 18345
35 1 . 1 1 12 12 GLY N N 12 110.000 110.000 113.141 -3.141 18345
36 1 . 1 1 12 12 GLY H H 12 8.425 8.425 7.971 0.454 18345
37 1 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.612 -0.082 18345
38 1 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.289 -0.389 18345
39 1 . 1 1 14 14 CYS N N 14 125.200 125.200 119.567 5.633 18345
40 1 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.410 0.318 18345
41 1 . 1 1 14 14 CYS CB C 14 33.100 33.100 25.425 7.675 18345
42 1 . 1 1 14 14 CYS H H 14 8.626 8.626 8.391 0.235 18345
43 1 . 1 1 15 15 ALA N N 15 130.100 130.100 128.676 1.424 18345
44 1 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.245 0.341 18345
45 1 . 1 1 15 15 ALA H H 15 8.735 8.735 8.512 0.223 18345
46 1 . 1 1 16 16 SER N N 16 112.400 112.400 112.576 -0.176 18345
47 1 . 1 1 16 16 SER HA H 16 4.812 4.812 4.672 0.140 18345
48 1 . 1 1 16 16 SER H H 16 7.673 7.673 7.870 -0.197 18345
49 1 . 1 1 17 17 ASP N N 17 130.800 130.800 127.939 2.861 18345
50 1 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.243 0.097 18345
51 1 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.653 -0.453 18345
52 1 . 1 1 17 17 ASP H H 17 9.211 9.211 8.911 0.300 18345
53 1 . 1 1 18 18 HIS N N 18 117.100 117.100 118.757 -1.657 18345
54 1 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.223 0.208 18345
55 1 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.036 -1.936 18345
56 1 . 1 1 18 18 HIS H H 18 8.714 8.714 8.284 0.430 18345
57 1 . 1 1 19 19 ASN N N 19 119.300 119.300 117.930 1.370 18345
58 1 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.499 0.091 18345
59 1 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.245 -0.045 18345
60 1 . 1 1 19 19 ASN H H 19 8.001 8.001 7.934 0.067 18345
61 1 . 1 1 20 20 CYS N N 20 117.500 117.500 119.683 -2.183 18345
62 1 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.519 0.992 18345
63 1 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.018 10.382 18345
64 1 . 1 1 20 20 CYS H H 20 7.646 7.646 8.032 -0.386 18345
65 1 . 1 1 21 21 ALA N N 21 121.700 121.700 122.955 -1.255 18345
66 1 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.842 -0.265 18345
67 1 . 1 1 21 21 ALA H H 21 8.851 8.851 8.401 0.450 18345
68 1 . 1 1 22 22 SER N N 22 112.200 112.200 114.497 -2.297 18345
69 1 . 1 1 22 22 SER HA H 22 4.212 4.212 4.114 0.098 18345
70 1 . 1 1 22 22 SER H H 22 8.040 8.040 7.911 0.130 18345
71 1 . 1 1 23 23 VAL N N 23 123.400 123.400 122.543 0.857 18345
72 1 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.719 0.124 18345
73 1 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.320 0.680 18345
74 1 . 1 1 23 23 VAL H H 23 7.940 7.940 8.301 -0.361 18345
75 1 . 1 1 24 24 CYS N N 24 121.400 121.400 119.639 1.761 18345
76 1 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.093 0.621 18345
77 1 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.631 12.769 18345
78 1 . 1 1 24 24 CYS H H 24 9.188 9.188 8.220 0.968 18345
79 1 . 1 1 25 25 GLN N N 25 120.500 120.500 118.181 2.319 18345
80 1 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.940 2.160 18345
81 1 . 1 1 25 25 GLN H H 25 8.414 8.414 8.349 0.065 18345
82 1 . 1 1 26 26 THR N N 26 114.500 114.500 110.786 3.714 18345
83 1 . 1 1 26 26 THR HA H 26 4.527 4.527 4.080 0.447 18345
84 1 . 1 1 26 26 THR H H 26 8.084 8.084 7.906 0.178 18345
85 1 . 1 1 27 27 GLU N N 27 122.100 122.100 121.276 0.824 18345
86 1 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.187 0.254 18345
87 1 . 1 1 27 27 GLU H H 27 7.705 7.705 8.066 -0.361 18345
88 1 . 1 1 28 28 ARG N N 28 109.500 109.500 116.690 -7.190 18345
89 1 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.394 -0.471 18345
90 1 . 1 1 28 28 ARG H H 28 7.817 7.817 7.869 -0.052 18345
91 1 . 1 1 29 29 PHE N N 29 117.700 117.700 121.776 -4.076 18345
92 1 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.511 0.475 18345
93 1 . 1 1 29 29 PHE H H 29 7.945 7.945 8.643 -0.698 18345
94 1 . 1 1 30 30 SER N N 30 113.100 113.100 119.001 -5.901 18345
95 1 . 1 1 30 30 SER HA H 30 4.590 4.590 4.724 -0.134 18345
96 1 . 1 1 30 30 SER H H 30 8.660 8.660 7.971 0.689 18345
97 1 . 1 1 31 31 GLY N N 31 107.500 107.500 110.554 -3.054 18345
98 1 . 1 1 31 31 GLY H H 31 7.746 7.746 8.387 -0.641 18345
99 1 . 1 1 32 32 GLY N N 32 107.300 107.300 108.546 -1.246 18345
100 1 . 1 1 32 32 GLY H H 32 7.985 7.985 8.163 -0.178 18345
101 1 . 1 1 33 33 ARG N N 33 115.400 115.400 121.066 -5.666 18345
102 1 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.768 -0.355 18345
103 1 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.332 -1.532 18345
104 1 . 1 1 33 33 ARG H H 33 8.935 8.935 8.858 0.077 18345
105 1 . 1 1 34 34 CYS N N 34 120.200 120.200 120.689 -0.489 18345
106 1 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.408 0.027 18345
107 1 . 1 1 34 34 CYS CB C 34 36.700 36.700 28.273 8.427 18345
108 1 . 1 1 34 34 CYS H H 34 8.831 8.831 8.725 0.106 18345
109 1 . 1 1 35 35 ARG N N 35 121.700 121.700 125.696 -3.996 18345
110 1 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.505 0.184 18345
111 1 . 1 1 35 35 ARG H H 35 9.507 9.507 9.013 0.494 18345
112 1 . 1 1 36 36 GLY N N 36 109.200 109.200 112.058 -2.858 18345
113 1 . 1 1 36 36 GLY H H 36 8.466 8.466 8.260 0.206 18345
114 1 . 1 1 37 37 PHE N N 37 121.700 121.700 120.482 1.218 18345
115 1 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.421 -0.000 18345
116 1 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.214 -0.614 18345
117 1 . 1 1 37 37 PHE H H 37 8.530 8.530 8.296 0.234 18345
118 1 . 1 1 38 38 ARG N N 38 118.500 118.500 118.529 -0.029 18345
119 1 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.235 -0.440 18345
120 1 . 1 1 38 38 ARG H H 38 8.023 8.023 8.296 -0.273 18345
121 1 . 1 1 39 39 ARG N N 39 117.500 117.500 117.764 -0.264 18345
122 1 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.142 0.020 18345
123 1 . 1 1 39 39 ARG H H 39 8.222 8.222 7.926 0.296 18345
124 1 . 1 1 40 40 ARG N N 40 122.500 122.500 119.792 2.708 18345
125 1 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.555 0.037 18345
126 1 . 1 1 40 40 ARG H H 40 8.292 8.292 8.085 0.207 18345
127 1 . 1 1 41 41 CYS N N 41 120.100 120.100 123.043 -2.943 18345
128 1 . 1 1 41 41 CYS HA H 41 4.717 4.717 5.011 -0.294 18345
129 1 . 1 1 41 41 CYS CB C 41 35.200 35.200 27.116 8.084 18345
130 1 . 1 1 41 41 CYS H H 41 9.320 9.320 8.839 0.481 18345
131 1 . 1 1 42 42 PHE N N 42 130.000 130.000 125.482 4.518 18345
132 1 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.129 -0.644 18345
133 1 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.382 -1.882 18345
134 1 . 1 1 42 42 PHE H H 42 8.910 8.910 9.197 -0.287 18345
135 1 . 1 1 43 43 CYS N N 43 120.900 120.900 120.589 0.311 18345
136 1 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.499 -0.107 18345
137 1 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.816 5.384 18345
138 1 . 1 1 43 43 CYS H H 43 8.819 8.819 8.952 -0.133 18345
139 1 . 1 1 44 44 THR N N 44 115.200 115.200 116.795 -1.595 18345
140 1 . 1 1 44 44 THR HA H 44 5.029 5.029 5.337 -0.308 18345
141 1 . 1 1 44 44 THR H H 44 8.420 8.420 9.011 -0.591 18345
142 1 . 1 1 45 45 THR N N 45 116.900 116.900 117.746 -0.846 18345
143 1 . 1 1 45 45 THR HA H 45 4.849 4.849 4.714 0.135 18345
144 1 . 1 1 45 45 THR H H 45 8.538 8.538 8.951 -0.413 18345
145 1 . 1 1 46 46 HIS N N 46 121.800 121.800 121.752 0.048 18345
146 1 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.917 0.154 18345
147 1 . 1 1 46 46 HIS CB C 46 28.700 28.700 29.899 -1.199 18345
148 1 . 1 1 46 46 HIS H H 46 8.548 8.548 8.613 -0.065 18345
stop_
save_